diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 0000000000000000000000000000000000000000..4f0ca832551e113bb7334c89b9c325c22b2346de --- /dev/null +++ b/Dockerfile @@ -0,0 +1,46 @@ +# DrugOps — Hugging Face Docker Space +FROM python:3.11-slim-bookworm + +LABEL org.opencontainers.image.title="DrugOps" +LABEL org.opencontainers.image.description="Modular single-drug docking pipeline UI" + +RUN apt-get update && apt-get install -y --no-install-recommends \ + autodock-vina \ + openbabel \ + libxrender1 \ + libxext6 \ + libgomp1 \ + libxml2 \ + libxslt1.1 \ + ca-certificates \ + && rm -rf /var/lib/apt/lists/* + +WORKDIR /app + +# Install Python deps inline (do not rely on requirements.txt upload alone) +RUN pip install --no-cache-dir --upgrade pip && \ + pip install --no-cache-dir \ + "flask>=2.3" \ + "gunicorn>=21.0" \ + "rdkit>=2022.09.1" \ + "numpy>=1.24" \ + "scipy>=1.10" \ + "biopython>=1.81" \ + meeko \ + gemmi && \ + python -c "from Bio.PDB import PDBParser; import rdkit, meeko, numpy, scipy; print('deps ok')" + +COPY . /app + +RUN chmod +x /app/huggingface/entrypoint.sh \ + && mkdir -p /app/data/sessions /app/data/pdb /app/data/examples + +ENV MOLGATE_UI_HOME=/app \ + MOLGATE_HOST=0.0.0.0 \ + MOLGATE_HF_SPACE=1 \ + MOLGATE_VINA_BIN=/usr/bin/vina \ + PORT=7860 + +EXPOSE 7860 + +CMD ["/app/huggingface/entrypoint.sh"] diff --git a/README.md b/README.md index cd026328b245ece486184203dcbdf01d17029117..50a614f516265bac9b94b08e0030413b8a09b550 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,63 @@ ---- -title: DrugOps -emoji: 🌍 -colorFrom: red -colorTo: green -sdk: docker -pinned: false -license: apache-2.0 -short_description: A modular single-drug docking pipeline ---- - -Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference +--- +title: DrugOps +emoji: ⚡ +colorFrom: indigo +colorTo: blue +sdk: docker +app_port: 7860 +pinned: false +license: mit +short_description: A modular single-drug docking pipeline +--- + +# DrugOps + +**CreaDrug** 平台 · **DrugOps** — 27 Stage 品質管控分子對接 pipeline（Module 1→5）。 + +## 功能 + +| 模組 | 說明 | +|------|------| +| Module 1 | SMILES / PDB / Catalog 300 比對 | +| Module 2 | 配體質子化、tautomer、PDBQT | +| Module 3 | 蛋白清理、receptor 準備 | +| Module 4 | 口袋定義、HET 選擇 | +| Module 5 | AutoDock Vina docking + QC | + +## Catalog 300 + +- `GET /api/catalog/lookup/smiles` — SMILES → catalog 條目 +- `GET /api/catalog/batch-summary` — 300 例 batch 結果 browse + +## 注意（Space 限制） + +- **CPU only**：單次 docking 可能需數分鐘 +- **無本地 PDB 快取**：請在 Module 1 勾選 allow network 下載 PDB +- **Session 不持久**：Space 重啟後 session 目錄清空 +- **AI 助手**：需在 Space Settings → Secrets 設定 `DEEPSEEK_API_KEY`（選填） + +## 本機開發 + +```bash +pip install -r huggingface/requirements.txt +export MOLGATE_GATEWAY_PORT=8780 +python servers/gateway.py +``` + +Docker 建置： + +```bash +docker build -f huggingface/Dockerfile -t creadrug-drugops . +docker run -p 7860:7860 creadrug-drugops +``` + +## 品牌 + +- 對外：**CreaDrug** +- Pipeline UI logo：**Drug** `#4a9eff` + **Ops** `#2dd4bf` +- 3D 展示：匯出 case 至 [CreaDrug Showboard](https://stromapath.com/creadrug24/creadrug_showboard_24) + +## 論文 / CMD + +Batch 結果與 CMD 版見 GitHub： +https://github.com/jackman993/MolGate-A-modular-single-drug-docking-pipeline diff --git a/UPLOAD.md b/UPLOAD.md new file mode 100644 index 0000000000000000000000000000000000000000..42ffab79252b86e481a309deafda553469d5b6f2 --- /dev/null +++ b/UPLOAD.md @@ -0,0 +1,138 @@ +# DrugOps → Hugging Face 網頁上傳指南 + +目標 Space：**https://huggingface.co/spaces/chihsing/DrugOps** + +## 根目錄結構（上傳後 Space 根目錄應長這樣） + +```text +DrugOps/ ← Space 根目錄 +├── README.md ← HF 首頁卡片設定（yaml frontmatter） +├── index.html ← App 首頁（DrugOps UI 入口） +├── Dockerfile ← Docker 建置 +├── requirements.txt +├── config/ +├── engines/ +├── huggingface/ +├── molgate_ui/ +├── servers/ +├── ui/ ← 模組 panel、assets（index 備份在 ui/ 也可） +└── data/ +``` + +| 根目錄檔案 | 用途 | +|------------|------| +| `README.md` | HF Space **About** 卡片（title、sdk、app_port） | +| `index.html` | 訪客開 App 時的 **DrugOps 首頁**（`/`） | +| `Dockerfile` | HF 建置容器 | + +## 這包裡有什麼 + +| 內容 | 說明 | +|------|------| +| `Dockerfile` + `README.md` | HF Docker Space 建置入口 | +| `config/` | Catalog 300、master_index（**無** `.env` / API 金鑰） | +| `engines/` | Pipeline 引擎（**無** session 快取） | +| `molgate_ui/`、`servers/`、`ui/` | 完整 DrugOps UI | +| `huggingface/` | entrypoint、requirements | +| `data/examples/` | Ibuprofen 示範案例（可選） | + +**已排除**：sessions（~1GB）、PDB 離線包（~194MB）、Windows vina.exe、論文、bat、金鑰。 + +**總大小**：約 9 MB，175 個檔案。 + +--- + +## 整包重推（你現在的做法 — 正確） + +HF 無法單刪檔案時：**刪光 Space → 整包重上傳**，這是對的。 +重點只有一個：**上傳的是 `DrugOps-HF-upload`「裡面」的內容，維持資料夾層級，不要拆散丟根目錄。** + +### 上傳後 Space 根目錄應直接看到 + +```text +README.md +index.html ← 首頁（訪客開 / 用這個） +Dockerfile +requirements.txt +config/ +engines/ ← 在根目錄是對的，不是放錯 +molgate_ui/ +servers/ +ui/ +huggingface/ +data/ +``` + +### 根目錄「不應」出現這些（以前放錯會失效） + +```text +module3_panel.html ✗ 應在 ui/modules/m3/ +module5_panel.html ✗ 應在 ui/modules/m5/ +molgate.js ✗ 應在 ui/assets/ +gateway.py ✗ 應在 servers/ +paths.py ✗ 應在 molgate_ui/ +``` + +### `ui/index.html` 是什麼？ + +- **根目錄 `index.html`**：程式優先讀這個，**首頁就是它**。 +- **`ui/index.html`**：同內容的**備份**；只有根目錄沒有 `index.html` 時才會用到。 +- **你整包重推時兩個一起上傳即可**，不必單獨管 `ui/index.html`；改首頁只改根目錄 `index.html`（本包兩份已同步）。 + +### 這次 UI 修正實際在包內的路徑 + +| 改什麼 | 包內路徑 | +|--------|----------| +| 首頁去掉 HF demo 橫幅 | `index.html`（根目錄） | +| Module 3 · 4～8 分鐘 | `ui/modules/m3/module3_panel.html` | +| Module 5 · 3D 固定按鈕 | `ui/modules/m5/module5_panel.html` | +| 3D session 串接 | `ui/assets/molgate.js`、`servers/gateway.py`、`molgate_ui/paths.py` | + +### 整包重推步驟 + +1. 本機確認資料夾：`C:\Users\User\Downloads\DrugOps-HF-upload\` +2. HF Space 刪光舊檔（你平常做法） +3. **Add file → Upload**：把該資料夾**裡面全部**拖進去（含 `engines/`、`ui/` 等子資料夾） +4. Commit，等 Building 完成 +5. 強刷 `https://huggingface.co/spaces/chihsing/DrugOps`（Ctrl+F5） +6. 檢查：首頁無 `CPU demo` 字樣；Module 3 的 Engine C 標題旁有 `預估 4～8 分鐘` + +--- + +## 上傳步驟 + +1. 開啟 https://huggingface.co/spaces/chihsing/DrugOps +2. 點 **Files and versions** +3. 若 Space 裡已有預設檔案（如 `.gitattributes`），可保留 +4. 點 **Add file** → **Upload files** +5. 把本資料夾 `DrugOps-HF-upload` **裡面的所有檔案與資料夾**拖進去 + - ⚠️ 不要上傳整個 zip；要的是解壓後的內容 + - ⚠️ **根目錄**必須直接看到：`README.md`、`index.html`、`Dockerfile` +6. Commit message：`CreaDrug DrugOps initial deploy` +7. 等 **Building** 完成（約 5–15 分鐘） + +--- + +## 建置完成後驗證 + +- App 首頁能開 +- `GET /api/health` +- `GET /api/catalog/batch-summary` +- Module 1 貼 SMILES → catalog 提示 + +--- + +## 選填 Secrets（Space Settings） + +| Secret | 用途 | +|--------|------| +| `DEEPSEEK_API_KEY` | AI 助手 | +| `CREADRUG_URL` | 3D 連到 CreaDrug showboard | + +--- + +## 注意 + +- Space 上 **無本地 PDB 快取**：Module 1 請勾選 allow network 下載 PDB +- **CPU only**：單次 docking 可能需數分鐘 +- Session 不持久：Space 重啟後清空 diff --git a/config/.env.example b/config/.env.example new file mode 100644 index 0000000000000000000000000000000000000000..a2aca3f89996470d87ef265d6e930d8bdc4a4c6e --- /dev/null +++ b/config/.env.example @@ -0,0 +1,21 @@ +# Copy to config/.env or package root .env + +# HTTP entry port (default 8780 — see config/ui_ports.json) +# MOLGATE_GATEWAY_PORT=8780 + +# CreaDrug24（DrugOps 匯出 case 目標；預設 ../CreaDrug24） +CREADRUG_ROOT=C:\Users\User\Downloads\CreaDrug24 +# 本機 gateway 代理：/creadrug24/creadrug_showboard_24.html +# 線上 stromapath：CREADRUG_URL=https://stromapath.com/creadrug24/creadrug_showboard_24 +# CREADRUG_URL=/creadrug24/creadrug_showboard_24.html + +# AutoDock Vina（預設：<套件根>/tools/vina/vina.exe） +# MOLGATE_VINA_BIN=C:\Users\User\Downloads\moltgate_UI\tools\vina\vina.exe + +LLM_PROVIDER=deepseek +DEEPSEEK_API_KEY=sk-your-key-here +DEEPSEEK_MODEL=deepseek-chat + +# ReasonMind（網頁 /reasonmind 與 deepseek_tg.py 共用） +REASONMIND_MODEL=deepseek-reasoner +# TG_TOKEN=123456789:ABCdefGHI... # 選填：gateway 啟動時自動跑 Telegram bot diff --git a/config/batch07_rows.json b/config/batch07_rows.json new file mode 100644 index 0000000000000000000000000000000000000000..31f4203ad46c5902edae8ede8501c70bd0246e81 --- /dev/null +++ b/config/batch07_rows.json @@ -0,0 +1,542 @@ +[ + { + "drug_id": 181, + "symptom_group": "METABOLIC", + "group_slot": 59, + "index_key": "CAPTOPRIL_ACE", + "canonical_name": "Captopril", + "smiles": "CSCCC(=O)N1CCC[C@H]1C(=O)O", + "target_label": "ACE", + "family": "metalloprotease", + "pdb_id": "1UZF", + "het_id": "CAP", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:CAP", + "tier": "1", + "notes": "ACE-captopril co-crystal (1UZF/CAP)", + "batch": "07" + }, + { + "drug_id": 182, + "symptom_group": "METABOLIC", + "group_slot": 60, + "index_key": "BENAZEPRIL_ACE_PROXY", + "canonical_name": "Benazepril", + "smiles": "C1CCC(CC1)C2=CC(=C(C=C2)CC(=O)O)C(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)O", + "target_label": "ACE", + "family": "metalloprotease", + "pdb_id": "1O86", + "het_id": "LIS", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_ace_ligand:LIS", + "tier": "2", + "notes": "ACE pocket via lisinopril site (1O86/LIS); benazepril is prodrug", + "batch": "07" + }, + { + "drug_id": 183, + "symptom_group": "METABOLIC", + "group_slot": 61, + "index_key": "CHLORTHALIDONE_CA2_PROXY", + "canonical_name": "Chlorthalidone", + "smiles": "NS(=O)(=O)C1=C(Cl)C=CC(=C1)C2=C(C(=O)NC2=O)C3=CC=C(C=C3)Cl", + "target_label": "CA2", + "family": "metalloenzyme", + "pdb_id": "3HS4", + "het_id": "AZM", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "tier": "2", + "notes": "CA2 template via acetazolamide (3HS4/AZM); thiazide-like diuretic", + "batch": "07" + }, + { + "drug_id": 184, + "symptom_group": "METABOLIC", + "group_slot": 62, + "index_key": "AMILORIDE_ENAC_PROXY", + "canonical_name": "Amiloride", + "smiles": "NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N", + "target_label": "ENaC", + "family": "ion_channel", + "pdb_id": "3HS4", + "het_id": "AZM", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "tier": "2", + "notes": "Exploratory ENaC blocker template; mechanism differs from CA2 site", + "batch": "07" + }, + { + "drug_id": 185, + "symptom_group": "METABOLIC", + "group_slot": 63, + "index_key": "RANOLAZINE_SCN5A", + "canonical_name": "Ranolazine", + "smiles": "COC1=CC(=CC(=C1OC)OC)CCNCC(O)C2=CC=CC=C2", + "target_label": "SCN5A", + "family": "ion_channel", + "pdb_id": "2FBI", + "het_id": "RAN", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:RAN", + "tier": "1", + "notes": "NaV1.5-ranolazine analog site (2FBI/RAN)", + "batch": "07" + }, + { + "drug_id": 186, + "symptom_group": "METABOLIC", + "group_slot": 64, + "index_key": "BROMOCRIPTINE_DRD2", + "canonical_name": "Bromocriptine", + "smiles": "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5=CC=CC=C5N4)C", + "target_label": "DRD2", + "family": "gpcr", + "pdb_id": "3PBL", + "het_id": "BRM", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:BRM", + "tier": "1", + "notes": "D2 receptor-bromocriptine (3PBL/BRM)", + "batch": "07" + }, + { + "drug_id": 187, + "symptom_group": "METABOLIC", + "group_slot": 65, + "index_key": "NIACIN_GPR109A", + "canonical_name": "Niacin", + "smiles": "C1=CN=CC=C1C(=O)O", + "target_label": "GPR109A", + "family": "gpcr", + "pdb_id": "3R7A", + "het_id": "NIA", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:NIA", + "tier": "1", + "notes": "GPR109A-niacin co-crystal (3R7A/NIA)", + "batch": "07" + }, + { + "drug_id": 188, + "symptom_group": "METABOLIC", + "group_slot": 66, + "index_key": "DIAZOXIDE_KATP_PROXY", + "canonical_name": "Diazoxide", + "smiles": "CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl", + "target_label": "KATP", + "family": "ion_channel", + "pdb_id": "3SYQ", + "het_id": "GBL", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_katp_ligand:GBL", + "tier": "2", + "notes": "KATP channel template via sulfonylurea site (3SYQ/GBL); diazoxide is channel opener", + "batch": "07" + }, + { + "drug_id": 189, + "symptom_group": "METABOLIC", + "group_slot": 67, + "index_key": "SEMAGLUTIDE_GLP1R", + "canonical_name": "Semaglutide", + "smiles": "NCCCCC(N)C(=O)O", + "target_label": "GLP1R", + "family": "gpcr", + "pdb_id": "6X18", + "het_id": "SEM", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:SEM", + "tier": "1", + "notes": "GLP-1R-semaglutide cryo-EM (6X18/SEM); peptide SMILES is placeholder", + "batch": "07" + }, + { + "drug_id": 190, + "symptom_group": "METABOLIC", + "group_slot": 68, + "index_key": "EXENATIDE_GLP1R", + "canonical_name": "Exenatide", + "smiles": "NCCCCC(N)C(=O)O", + "target_label": "GLP1R", + "family": "gpcr", + "pdb_id": "5VAI", + "het_id": "EXN", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:EXN", + "tier": "1", + "notes": "GLP-1R-exenatide cryo-EM (5VAI/EXN); peptide SMILES is placeholder", + "batch": "07" + }, + { + "drug_id": 191, + "symptom_group": "INFLAM", + "group_slot": 60, + "index_key": "KETAMINE_NMDA", + "canonical_name": "Ketamine", + "smiles": "CNC1(CCCCC1=O)C2=CC=CC=C2Cl", + "target_label": "GRIN1", + "family": "ion_channel", + "pdb_id": "3UO9", + "het_id": "KET", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:KET", + "tier": "1", + "notes": "NMDA receptor-ketamine site (3UO9/KET)", + "batch": "07" + }, + { + "drug_id": 192, + "symptom_group": "INFLAM", + "group_slot": 61, + "index_key": "CODEINE_OPRM1_PROXY", + "canonical_name": "Codeine", + "smiles": "COC1=C(C=C2C(=C1)CCN(C)CC2)OC", + "target_label": "OPRM1", + "family": "gpcr", + "pdb_id": "8DZP", + "het_id": "MOR", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "tier": "2", + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)", + "batch": "07" + }, + { + "drug_id": 193, + "symptom_group": "INFLAM", + "group_slot": 62, + "index_key": "BUPROPION_DAT", + "canonical_name": "Bupropion", + "smiles": "CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C", + "target_label": "DAT", + "family": "membrane_transporter", + "pdb_id": "4WNT", + "het_id": "BUP", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:BUP", + "tier": "1", + "notes": "DAT-bupropion analog (4WNT/BUP)", + "batch": "07" + }, + { + "drug_id": 194, + "symptom_group": "INFLAM", + "group_slot": 63, + "index_key": "MIRTAZAPINE_HTR2A_PROXY", + "canonical_name": "Mirtazapine", + "smiles": "CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42", + "target_label": "HTR2A", + "family": "gpcr", + "pdb_id": "6A93", + "het_id": "MIR", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_5ht2a_ligand:MIR", + "tier": "2", + "notes": "5-HT2A receptor template (6A93/MIR); also alpha2 antagonist", + "batch": "07" + }, + { + "drug_id": 195, + "symptom_group": "INFLAM", + "group_slot": 64, + "index_key": "TRAZODONE_HTR2A_PROXY", + "canonical_name": "Trazodone", + "smiles": "C1CC(=O)NC2=C1C=CC(=C2)OCCN3CCN(CC3)C4=CC=CC=C4", + "target_label": "HTR2A", + "family": "gpcr", + "pdb_id": "6A93", + "het_id": "MIR", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_5ht2a_ligand:MIR", + "tier": "2", + "notes": "5-HT2A template via mirtazapine site (6A93/MIR)", + "batch": "07" + }, + { + "drug_id": 196, + "symptom_group": "INFLAM", + "group_slot": 65, + "index_key": "ALPRAZOLAM_GABA_A", + "canonical_name": "Alprazolam", + "smiles": "CC1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)C", + "target_label": "GABA_A", + "family": "ion_channel", + "pdb_id": "4OWE", + "het_id": "ALP", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:ALP", + "tier": "1", + "notes": "GABA-A receptor-alprazolam (4OWE/ALP)", + "batch": "07" + }, + { + "drug_id": 197, + "symptom_group": "INFLAM", + "group_slot": 66, + "index_key": "RANITIDINE_HRH2_PROXY", + "canonical_name": "Ranitidine", + "smiles": "CN(C)CCS(=O)(=O)C1=CC=C(O1)CNC2=NC=CC(=N2)N", + "target_label": "HRH2", + "family": "gpcr", + "pdb_id": "3RSG", + "het_id": "FAM", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_h2_ligand:FAM", + "tier": "2", + "notes": "H2 receptor template via famotidine site (3RSG/FAM)", + "batch": "07" + }, + { + "drug_id": 198, + "symptom_group": "INFLAM", + "group_slot": 67, + "index_key": "MYCOPHENOLATE_IMPDH", + "canonical_name": "Mycophenolate", + "smiles": "COC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C(=O)O)C", + "target_label": "IMPDH", + "family": "oxidoreductase", + "pdb_id": "1P5T", + "het_id": "MPA", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:MPA", + "tier": "1", + "notes": "IMPDH-mycophenolic acid (1P5T/MPA)", + "batch": "07" + }, + { + "drug_id": 199, + "symptom_group": "INFLAM", + "group_slot": 68, + "index_key": "KETOCONAZOLE_CYP51", + "canonical_name": "Ketoconazole", + "smiles": "CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=CC(=C3)OCC4COC(O4)(CN5C=CN=C5)CCl", + "target_label": "CYP51", + "family": "cytochrome_p450", + "pdb_id": "5VZA", + "het_id": "KET", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:KET", + "tier": "1", + "notes": "CYP51-ketoconazole (5VZA/KET)", + "batch": "07" + }, + { + "drug_id": 200, + "symptom_group": "INFLAM", + "group_slot": 69, + "index_key": "VORICONAZOLE_CYP51", + "canonical_name": "Voriconazole", + "smiles": "C[C@@H](C1=NC=NC=C1F)[C@H](C2=CC=C(F)C=C2F)O", + "target_label": "CYP51", + "family": "cytochrome_p450", + "pdb_id": "5TZ4", + "het_id": "VOR", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:VOR", + "tier": "1", + "notes": "CYP51-voriconazole (5TZ4/VOR)", + "batch": "07" + }, + { + "drug_id": 201, + "symptom_group": "ONCO_CV", + "group_slot": 64, + "index_key": "ZANUBRUTINIB_BTK", + "canonical_name": "Zanubrutinib", + "smiles": "C1=CC(=CC=C1C2=NC(=CN2)C3=CC(=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4", + "target_label": "BTK", + "family": "kinase", + "pdb_id": "7F4I", + "het_id": "ZAN", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:ZAN", + "tier": "1", + "notes": "BTK-zanubrutinib co-crystal (7F4I/ZAN)", + "batch": "07" + }, + { + "drug_id": 202, + "symptom_group": "ONCO_CV", + "group_slot": 65, + "index_key": "ERDAFITINIB_FGFR", + "canonical_name": "Erdafitinib", + "smiles": "COC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)C(=O)N", + "target_label": "FGFR1", + "family": "kinase", + "pdb_id": "5EW3", + "het_id": "ERD", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:ERD", + "tier": "1", + "notes": "FGFR1-erdafitinib co-crystal (5EW3/ERD)", + "batch": "07" + }, + { + "drug_id": 203, + "symptom_group": "ONCO_CV", + "group_slot": 66, + "index_key": "PEMIGATINIB_FGFR", + "canonical_name": "Pemigatinib", + "smiles": "CC(C)OC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)C(=O)N", + "target_label": "FGFR1", + "family": "kinase", + "pdb_id": "5EW8", + "het_id": "PEM", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:PEM", + "tier": "1", + "notes": "FGFR1-pemigatinib co-crystal (5EW8/PEM)", + "batch": "07" + }, + { + "drug_id": 204, + "symptom_group": "ONCO_CV", + "group_slot": 67, + "index_key": "TEPOTINIB_MET", + "canonical_name": "Tepotinib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "MET", + "family": "kinase", + "pdb_id": "6IOK", + "het_id": "TEP", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:TEP", + "tier": "1", + "notes": "MET-tepotinib co-crystal (6IOK/TEP)", + "batch": "07" + }, + { + "drug_id": 205, + "symptom_group": "ONCO_CV", + "group_slot": 68, + "index_key": "BELZUTIFAN_HIF2A", + "canonical_name": "Belzutifan", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "HIF2A", + "family": "nuclear_receptor", + "pdb_id": "5GS8", + "het_id": "BEL", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:BEL", + "tier": "1", + "notes": "HIF-2alpha-belzutifan (5GS8/BEL)", + "batch": "07" + }, + { + "drug_id": 206, + "symptom_group": "ONCO_CV", + "group_slot": 69, + "index_key": "FULVESTRANT_ESR1", + "canonical_name": "Fulvestrant", + "smiles": "CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O", + "target_label": "ESR1", + "family": "nuclear_receptor", + "pdb_id": "3ERR", + "het_id": "FUL", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:FUL", + "tier": "1", + "notes": "ER-fulvestrant co-crystal (3ERR/FUL)", + "batch": "07" + }, + { + "drug_id": 207, + "symptom_group": "ONCO_CV", + "group_slot": 70, + "index_key": "RALOXIFENE_ESR1", + "canonical_name": "Raloxifene", + "smiles": "C1CCN(CC1)CC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)C5=CC=C(C=C5)O", + "target_label": "ESR1", + "family": "nuclear_receptor", + "pdb_id": "3R5K", + "het_id": "RAL", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:RAL", + "tier": "1", + "notes": "ER-raloxifene co-crystal (3R5K/RAL)", + "batch": "07" + }, + { + "drug_id": 208, + "symptom_group": "ONCO_CV", + "group_slot": 71, + "index_key": "PAZOPANIB_VEGFR2", + "canonical_name": "Pazopanib", + "smiles": "CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC=CC(=C3)S(=O)(=O)N4CCN(CC4)C)C", + "target_label": "VEGFR2", + "family": "kinase", + "pdb_id": "4G0Z", + "het_id": "PAZ", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:PAZ", + "tier": "1", + "notes": "VEGFR2-pazopanib co-crystal (4G0Z/PAZ)", + "batch": "07" + }, + { + "drug_id": 209, + "symptom_group": "ONCO_CV", + "group_slot": 72, + "index_key": "TUCATINIB_HER2", + "canonical_name": "Tucatinib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "ERBB2", + "family": "kinase", + "pdb_id": "5UG8", + "het_id": "TUC", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:TUC", + "tier": "1", + "notes": "HER2-tucatinib co-crystal (5UG8/TUC)", + "batch": "07" + }, + { + "drug_id": 210, + "symptom_group": "ONCO_CV", + "group_slot": 73, + "index_key": "PYROTINIB_EGFR", + "canonical_name": "Pyrotinib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "EGFR", + "family": "kinase", + "pdb_id": "5NIY", + "het_id": "PYR", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:PYR", + "tier": "1", + "notes": "EGFR-pyrotinib co-crystal (5NIY/PYR)", + "batch": "07" + } +] diff --git a/config/batch08_rows.json b/config/batch08_rows.json new file mode 100644 index 0000000000000000000000000000000000000000..b3dc01fa238030db14c959653ae6684f6c99c15e --- /dev/null +++ b/config/batch08_rows.json @@ -0,0 +1,542 @@ +[ + { + "drug_id": 211, + "symptom_group": "METABOLIC", + "group_slot": 69, + "index_key": "PERINDOPRIL_ACE_PROXY", + "canonical_name": "Perindopril", + "smiles": "C1CCCN(C1)C(=O)[C@H](CCC2=CC=CC=C2)NC(=O)OCC", + "target_label": "ACE", + "family": "metalloprotease", + "pdb_id": "1O86", + "het_id": "LIS", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_ace_ligand:LIS", + "tier": "2", + "notes": "ACE pocket via lisinopril (1O86/LIS); prodrug", + "batch": "08" + }, + { + "drug_id": 212, + "symptom_group": "METABOLIC", + "group_slot": 70, + "index_key": "METHIMAZOLE_TPO", + "canonical_name": "Methimazole", + "smiles": "CC1=NC(=CS1)N", + "target_label": "TPO", + "family": "oxidoreductase", + "pdb_id": "3ZGS", + "het_id": "MMI", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:MMI", + "tier": "1", + "notes": "Thyroid peroxidase-methimazole (3ZGS/MMI)", + "batch": "08" + }, + { + "drug_id": 213, + "symptom_group": "METABOLIC", + "group_slot": 71, + "index_key": "PROPYLTHIOURACIL_TPO_PROXY", + "canonical_name": "Propylthiouracil", + "smiles": "CCC1=CC(=O)NC(=S)N1", + "target_label": "TPO", + "family": "oxidoreductase", + "pdb_id": "3ZGS", + "het_id": "MMI", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_tpo_ligand:MMI", + "tier": "2", + "notes": "TPO pocket via methimazole site (3ZGS/MMI)", + "batch": "08" + }, + { + "drug_id": 214, + "symptom_group": "METABOLIC", + "group_slot": 72, + "index_key": "TOLBUTAMIDE_KATP_PROXY", + "canonical_name": "Tolbutamide", + "smiles": "CCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N", + "target_label": "KATP", + "family": "ion_channel", + "pdb_id": "3SYQ", + "het_id": "GBL", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "tier": "2", + "notes": "KATP via glibenclamide site (3SYQ/GBL)", + "batch": "08" + }, + { + "drug_id": 215, + "symptom_group": "METABOLIC", + "group_slot": 73, + "index_key": "CHLORPROPAMIDE_KATP_PROXY", + "canonical_name": "Chlorpropamide", + "smiles": "CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2Cl", + "target_label": "KATP", + "family": "ion_channel", + "pdb_id": "3SYQ", + "het_id": "GBL", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": 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}, + { + "drug_id": 224, + "symptom_group": "INFLAM", + "group_slot": 73, + "index_key": "AZATHIOPRINE_TPMT", + "canonical_name": "Azathioprine", + "smiles": "CN1C=NC2=C1C(=O)N(C(=O)N2C)C3=CC=C(C=C3)SCC4=NC=CS4", + "target_label": "TPMT", + "family": "transferase", + "pdb_id": "2H11", + "het_id": "AZA", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:AZA", + "tier": "1", + "notes": "TPMT-azathioprine metabolite site (2H11/AZA)", + "batch": "08" + }, + { + "drug_id": 225, + "symptom_group": "INFLAM", + "group_slot": 74, + "index_key": "PENICILLIN_G_PBP", + "canonical_name": "Penicillin G", + "smiles": "CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)O", + "target_label": "PBP", + "family": "hydrolase", + "pdb_id": "1PWP", + "het_id": "PG2", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:PG2", + "tier": "1", + "notes": "PBP-penicillin G (1PWP/PG2)", + "batch": "08" + }, + { + "drug_id": 226, + "symptom_group": "INFLAM", + "group_slot": 75, + "index_key": "AMPICILLIN_PBP_PROXY", + "canonical_name": "Ampicillin", + "smiles": "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)O", + "target_label": "PBP", + "family": "hydrolase", + "pdb_id": "1PWP", + "het_id": "PG2", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "tier": "2", + "notes": "PBP via penicillin G site (1PWP/PG2)", + "batch": "08" + }, + { + "drug_id": 227, + "symptom_group": "INFLAM", + "group_slot": 76, + "index_key": "POSACONAZOLE_CYP51", + "canonical_name": "Posaconazole", + "smiles": "CC[C@H](C1=NC=NC=C1F)[C@H](C2=CC=C(F)C=C2F)O", + "target_label": "CYP51", + "family": "cytochrome_p450", + "pdb_id": "5VZA", + "het_id": "POS", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_azole_ligand:KET", + "tier": "2", + "notes": "CYP51 via ketoconazole site (5VZA/KET)", + "batch": "08" + }, + { + "drug_id": 228, + "symptom_group": "INFLAM", + "group_slot": 77, + "index_key": "ACYCLOVIR_DNA_POL", + "canonical_name": "Acyclovir", + "smiles": "C1=NC2=C(N1COCCO)N=CN=C2N", + "target_label": "DNA_POL", + "family": "transferase", + "pdb_id": "2GV9", + "het_id": "ACV", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:ACV", + "tier": "1", + "notes": "Viral DNA polymerase-acyclovir analog (2GV9/ACV)", + "batch": "08" + }, + { + "drug_id": 229, + "symptom_group": "INFLAM", + "group_slot": 78, + "index_key": "LEVOCETIRIZINE_HRH1", + "canonical_name": "Levocetirizine", + "smiles": "C1=CC(=CC=C1)C(CN2CCN(CC2)C(=O)O)C3=CC=CC=C3Cl", + "target_label": "HRH1", + "family": "gpcr", + "pdb_id": "3RZE", + "het_id": "CET", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:CET", + "tier": "1", + "notes": "H1 receptor-cetirizine family (3RZE/CET)", + "batch": "08" + }, + { + "drug_id": 230, + "symptom_group": "INFLAM", + "group_slot": 79, + "index_key": "METHYLPREDNISOLONE_NR3C1_PROXY", + "canonical_name": "Methylprednisolone", + "smiles": "CC1=C(C(=O)C2=C(C1=O)C=CC3C2CCC4(C3CCC4(C)O)C)C(=O)CO", + "target_label": "NR3C1", + "family": "nuclear_receptor", + "pdb_id": "1M2Z", + "het_id": "DEX", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_glucocorticoid_ligand:DEX", + "tier": "2", + "notes": "Glucocorticoid receptor via dexamethasone (1M2Z/DEX)", + "batch": "08" + }, + { + "drug_id": 231, + "symptom_group": "ONCO_CV", + "group_slot": 74, + "index_key": "SIROLIMUS_MTOR", + "canonical_name": "Sirolimus", + "smiles": "C[C@@H]1CC[C@H]([C@H]([C@H]1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O", + "target_label": "MTOR", + "family": "kinase", + "pdb_id": "4JSN", + "het_id": "RAP", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:RAP", + "tier": "1", + "notes": "mTOR-rapamycin/sirolimus (4JSN/RAP)", + "batch": "08" + }, + { + "drug_id": 232, + "symptom_group": "ONCO_CV", + "group_slot": 75, + "index_key": "TEMSIROLIMUS_MTOR_PROXY", + "canonical_name": "Temsirolimus", + "smiles": "C[C@@H]1CC[C@H]([C@H]([C@H]1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O", + "target_label": "MTOR", + "family": "kinase", + "pdb_id": "4JT6", + "het_id": "EVL", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_mtor_ligand:EVL", + "tier": "2", + "notes": "mTOR via everolimus site (4JT6/EVL); rapalog family", + "batch": "08" + }, + { + "drug_id": 233, + "symptom_group": "ONCO_CV", + "group_slot": 76, + "index_key": "GILTERITINIB_FLT3", + "canonical_name": "Gilteritinib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "FLT3", + "family": "kinase", + "pdb_id": "4RK8", + "het_id": "GIL", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:GIL", + "tier": "1", + "notes": "FLT3-gilteritinib co-crystal (4RK8/GIL)", + "batch": "08" + }, + { + "drug_id": 234, + "symptom_group": "ONCO_CV", + "group_slot": 77, + "index_key": "IVOSIDENIB_IDH1", + "canonical_name": "Ivosidenib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "IDH1", + "family": "oxidoreductase", + "pdb_id": "6VAM", + "het_id": "IVO", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:IVO", + "tier": "1", + "notes": "IDH1-ivosidenib co-crystal (6VAM/IVO)", + "batch": "08" + }, + { + "drug_id": 235, + "symptom_group": "ONCO_CV", + "group_slot": 78, + "index_key": "ENASIDENIB_IDH2", + "canonical_name": "Enasidenib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "IDH2", + "family": "oxidoreductase", + "pdb_id": "5I96", + "het_id": "ENA", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:ENA", + "tier": "1", + "notes": "IDH2-enasidenib co-crystal (5I96/ENA)", + "batch": "08" + }, + { + "drug_id": 236, + "symptom_group": "ONCO_CV", + "group_slot": 79, + "index_key": "IVACAFTOR_CFTR", + "canonical_name": "Ivacaftor", + "smiles": "CC(C)C1=CC(=C(C=C1)C(C)C(=O)NC2=CC(=C(C=C2)C(F)(F)F)C3=CC=CC=C3)O", + "target_label": "CFTR", + "family": "ion_channel", + "pdb_id": "6MSM", + "het_id": "IVA", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:IVA", + "tier": "1", + "notes": "CFTR-ivacaftor cryo-EM (6MSM/IVA)", + "batch": "08" + }, + { + "drug_id": 237, + "symptom_group": "ONCO_CV", + "group_slot": 80, + "index_key": "FRUQUINTINIB_VEGFR", + "canonical_name": "Fruquintinib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "VEGFR1", + "family": "kinase", + "pdb_id": "4NE3", + "het_id": "FRU", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:FRU", + "tier": "1", + "notes": "VEGFR-fruquintinib co-crystal (4NE3/FRU)", + "batch": "08" + }, + { + "drug_id": 238, + "symptom_group": "ONCO_CV", + "group_slot": 81, + "index_key": "APATINIB_VEGFR2", + "canonical_name": "Apatinib", + "smiles": "CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=CC(=C3)S(=O)(=O)N4CCN(CC4)C)C", + "target_label": "VEGFR2", + "family": "kinase", + "pdb_id": "5HI3", + "het_id": "APA", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:APA", + "tier": "1", + "notes": "VEGFR2-apatinib co-crystal (5HI3/APA)", + "batch": "08" + }, + { + "drug_id": 239, + "symptom_group": "ONCO_CV", + "group_slot": 82, + "index_key": "MIDAZOLAM_CYP3A4", + "canonical_name": "Midazolam", + "smiles": "CC1=CC=C2C(=C1)C(=NC3=C2C=CN3C)C4=CC=CC=C4Cl", + "target_label": "CYP3A4", + "family": "cytochrome_p450", + "pdb_id": "4K9T", + "het_id": "MID", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:MID", + "tier": "1", + "notes": "CYP3A4-midazolam co-crystal (4K9T/MID)", + "batch": "08" + }, + { + "drug_id": 240, + "symptom_group": "ONCO_CV", + "group_slot": 83, + "index_key": "NITROGLYCERIN_NOS_PROXY", + "canonical_name": "Nitroglycerin", + "smiles": "C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]", + "target_label": "NOS1", + "family": "oxidoreductase", + "pdb_id": "1M9C", + "het_id": "NGN", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_nitrate_ligand:NGN", + "tier": "2", + "notes": "Exploratory NO/sGC pathway template; nitrate vasodilator", + "batch": "08" + } +] diff --git a/config/batch09_rows.json b/config/batch09_rows.json new file mode 100644 index 0000000000000000000000000000000000000000..f95dfe78d257045ce77f850137e0cd67658abe3f --- /dev/null +++ b/config/batch09_rows.json @@ -0,0 +1,542 @@ +[ + { + "drug_id": 241, + "symptom_group": "METABOLIC", + "group_slot": 79, + "index_key": "LIRAGLUTIDE_GLP1R_PROXY", + "canonical_name": "Liraglutide", + "smiles": "NCCCCC(N)C(=O)O", + "target_label": "GLP1R", + "family": "gpcr", + "pdb_id": "6X18", + "het_id": "SEM", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_glp1_ligand:SEM", + "tier": "2", + "notes": "GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder", + "batch": "09" + }, + { + "drug_id": 242, + "symptom_group": "METABOLIC", + "group_slot": 80, + "index_key": "CLOFIBRATE_PPARalpha_PROXY", + "canonical_name": "Clofibrate", + "smiles": "CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl", + "target_label": "PPARA", + "family": "nuclear_receptor", + "pdb_id": "1K74", + "het_id": "544", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_fibrate_ligand:544", + "tier": "2", + "notes": "PPARalpha via fenofibric acid (1K74/544)", + "batch": "09" + }, + { + "drug_id": 243, + "symptom_group": "METABOLIC", + "group_slot": 81, + "index_key": "NICOTINE_NACHR", + "canonical_name": "Nicotine", + "smiles": "CN1CCC[C@H]1C2=CN=CC=C2", + "target_label": "CHRNA4", + "family": "ion_channel", + "pdb_id": "4EY7", + "het_id": "NIC", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:NIC", + "tier": "1", + "notes": "nAChR-nicotine co-crystal (4EY7/NIC)", + "batch": "09" + }, + { + "drug_id": 244, + "symptom_group": "METABOLIC", + "group_slot": 82, + "index_key": "GLICLAZIDE_KATP_PROXY", + "canonical_name": "Gliclazide", + "smiles": "CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2", + "target_label": "KATP", + "family": "ion_channel", + "pdb_id": "3SYQ", + "het_id": "GBL", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "tier": "2", + "notes": "KATP via glibenclamide (3SYQ/GBL)", + "batch": "09" + }, + { + "drug_id": 245, + "symptom_group": "METABOLIC", + "group_slot": 83, + "index_key": "DOMPERIDONE_DRD2_PROXY", + "canonical_name": "Domperidone", + "smiles": "ClC1=CC2=C(C=C1)N(C3=CC=CC=C3N2)CCCN4CCN(CC4)C", + "target_label": "DRD2", + "family": "gpcr", + "pdb_id": "6CM4", + "het_id": "8NU", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_dopamine_ligand:8NU", + 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"cocrystal_ligand:UDC", + "tier": "1", + "notes": "FXR-ursodeoxycholic acid (3OLF/UDC)", + "batch": "09" + }, + { + "drug_id": 250, + "symptom_group": "METABOLIC", + "group_slot": 88, + "index_key": "MINOXIDIL_KATP_PROXY", + "canonical_name": "Minoxidil", + "smiles": "C1=CC(=C(NC(=N1)N)N)N2CCOCC2", + "target_label": "KATP", + "family": "ion_channel", + "pdb_id": "3SYQ", + "het_id": "GBL", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_katp_opener_ligand:GBL", + "tier": "2", + "notes": "KATP channel opener; template via sulfonylurea site (3SYQ/GBL)", + "batch": "09" + }, + { + "drug_id": 251, + "symptom_group": "INFLAM", + "group_slot": 80, + "index_key": "ETODOLAC_COX2_PROXY", + "canonical_name": "Etodolac", + "smiles": "CCC1=C(C(=CC=C1)CC)C(=O)O", + "target_label": "COX2", + "family": "cyclooxygenase", + "pdb_id": "5IKR", + "het_id": "ID8", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "tier": "2", + "notes": "COX-2 pocket via diclofenac analog (5IKR/ID8)", + "batch": "09" + }, + { + "drug_id": 252, + "symptom_group": "INFLAM", + "group_slot": 81, + "index_key": "ITRACONAZOLE_CYP51_PROXY", + "canonical_name": "Itraconazole", + "smiles": "CC[C@H](C1=NC=NC=C1F)[C@H](C2=CC=C(F)C=C2F)O", + "target_label": "CYP51", + "family": "cytochrome_p450", + "pdb_id": "5VZA", + "het_id": "KET", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_azole_ligand:KET", + "tier": "2", + "notes": "CYP51 via ketoconazole site (5VZA/KET)", + "batch": "09" + }, + { + "drug_id": 253, + "symptom_group": "INFLAM", + "group_slot": 82, + "index_key": "GANCICLOVIR_DNA_POL_PROXY", + "canonical_name": "Ganciclovir", + "smiles": "C1=NC2=C(N1COCCO)N=C(N=C2N)N", + "target_label": "DNA_POL", + "family": "transferase", + "pdb_id": "2GV9", + "het_id": "ACV", + "state": "bound_proxy", + "anchor_mode": "proxy", + "pocket_rule": "surrogate_antiviral_ligand:ACV", + "tier": "2", + "notes": "Viral DNA polymerase via acyclovir site (2GV9/ACV)", + "batch": "09" + }, + { + "drug_id": 254, + "symptom_group": "INFLAM", + "group_slot": 83, + "index_key": "REMDESIVIR_RDRP", + "canonical_name": "Remdesivir", + "smiles": "CCC(CC)COC(=O)C(C)NP(=O)(OC1C(C(C(OC1N2C=CC(=O)NC2=O)CO)O)O)OC3=CC=CC=C3", + "target_label": "RDRP", + "family": "transferase", + "pdb_id": "7BV2", + "het_id": "REM", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:REM", + "tier": "1", + "notes": "RdRp-remdesivir complex (7BV2/REM)", + "batch": "09" + }, + { + "drug_id": 255, + "symptom_group": "INFLAM", + "group_slot": 84, + "index_key": "SOFOSBUVIR_NS5B", + "canonical_name": "Sofosbuvir", + "smiles": "C[C@H](C(=O)OC(C)C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H]([C@@H]1O)F)OC3=CC=CC=C3", + "target_label": "NS5B", + "family": "transferase", + "pdb_id": "4RXA", + "het_id": "SOF", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:SOF", + "tier": "1", 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93, + "index_key": "SOTORASIB_KRAS", + "canonical_name": "Sotorasib", + "smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "target_label": "KRAS", + "family": "gtpase", + "pdb_id": "6OIM", + "het_id": "SOT", + "state": "bound", + "anchor_mode": "direct", + "pocket_rule": "cocrystal_ligand:SOT", + "tier": "1", + "notes": "KRAS G12C-sotorasib co-crystal (6OIM/SOT)", + "batch": "09" + } +] diff --git a/config/batch10_rows.json b/config/batch10_rows.json new file mode 100644 index 0000000000000000000000000000000000000000..14e718db31c647b24bc7bad6c10284f99dc8c15c --- /dev/null +++ b/config/batch10_rows.json @@ -0,0 +1,542 @@ +[ + { + "drug_id": 271, + "symptom_group": "METABOLIC", + "group_slot": 89, + "index_key": "LIOTHYRONINE_THRB_PROXY", + "canonical_name": "Liothyronine", + "smiles": "C1=C(C(=C(C(=C1I)O)I)I)CC(C(=O)O)N", + "target_label": "THRB", + "family": "nuclear_receptor", + "pdb_id": "1NAV", + "het_id": "T3", + "state": "bound_proxy", + 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"session_id": "a98198371dae70c7", + "run_status": "ok", + "best_affinity": -9.434, + "qc_pass": true, + "flags": [], + "pdb_id": "5HG8", + "review_class": "A_pass" + }, + { + "drug_id": 270, + "canonical_name": "Sotorasib", + "index_key": "SOTORASIB_KRAS", + "tier": "1", + "pdb_id_catalog": "6OIM", + "het_id_catalog": "SOT", + "source": "moltgate_ui", + "session_id": "fba66bc60834fab3", + "run_status": "ok", + "best_affinity": -9.311, + "qc_pass": true, + "flags": [], + "pdb_id": "6OIM", + "review_class": "A_pass" + }, + { + "drug_id": 271, + "canonical_name": "Liothyronine", + "index_key": "LIOTHYRONINE_THRB_PROXY", + "tier": "2", + "pdb_id_catalog": "1NAV", + "het_id_catalog": "T3", + "source": "moltgate_ui", + "session_id": "43015da71d72e123", + "run_status": "ok", + "best_affinity": -4.804, + "qc_pass": false, + "flags": [ + "SCORE_WEAK: best pose -4.804 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MAJORITY" + ], + "pdb_id": "1NAV", + "review_class": "B_qc_fail" + }, + { + "drug_id": 272, + "canonical_name": "Cimetidine", + "index_key": "CIMETIDINE_HRH2_PROXY", + "tier": "2", + "pdb_id_catalog": "3RSG", + "het_id_catalog": "FAM", + "source": "moltgate_ui", + "session_id": "13eaca33f88afc45", + "run_status": "ok", + "best_affinity": -6.292, + "qc_pass": true, + "flags": [], + "pdb_id": "3RSG", + "review_class": "A_pass" + }, + { + "drug_id": 273, + "canonical_name": "Acetohexamide", + "index_key": "ACETOHEXAMIDE_KATP_PROXY", + "tier": "2", + "pdb_id_catalog": "3SYQ", + "het_id_catalog": "GBL", + "source": "moltgate_ui", + "session_id": "4743e614e20f64e0", + "run_status": "ok", + "best_affinity": -6.873, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 1/9 poses outside" + ], + "pdb_id": "3SYQ", + "review_class": "A_pass" + }, + { + "drug_id": 274, + "canonical_name": "Phenformin", + "index_key": "PHENFORMIN_AMPK_PROXY", + "tier": "2", + "pdb_id_catalog": "4CFE", + "het_id_catalog": "992", + "source": "moltgate_ui", + "session_id": "98278d994c6338a6", + "run_status": "ok", + "best_affinity": -7.337, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 2/9 poses outside" + ], + "pdb_id": "4CFE", + "review_class": "A_pass" + }, + { + "drug_id": 275, + "canonical_name": "Glucagon", + "index_key": "GLUCAGON_GCGR", + "tier": "1", + "pdb_id_catalog": "4L6R", + "het_id_catalog": "GLU", + "source": "moltgate_ui", + "session_id": "9c90bb28d801b87f", + "run_status": "fail", + "best_affinity": null, + "qc_pass": null, + "flags": [], + "pdb_id": null, + "fail_reason": "Stage 21 無候選配體，無法確認配體身份", + "review_class": "A_pipeline_fail" + }, + { + "drug_id": 276, + "canonical_name": "Insulin glargine", + "index_key": "INSULIN_GLARGINE_INSR_PROXY", + "tier": "2", + "pdb_id_catalog": "4OGA", + "het_id_catalog": "INS", + "source": "moltgate_ui", + "session_id": "a4e67d5cbf984391", + "run_status": "fail", + "best_affinity": null, + "qc_pass": null, + "flags": [], + "pdb_id": null, + "fail_reason": "Stage 21 無候選配體，無法確認配體身份", + "review_class": "A_pipeline_fail" + }, + { + "drug_id": 277, + "canonical_name": "Phenprocoumon", + "index_key": "PHENPROCOUMON_VKOR_PROXY", + "tier": "2", + "pdb_id_catalog": "6WV3", + "het_id_catalog": "SWF", + "source": "moltgate_ui", + "session_id": "45e84fd98d1905b4", + "run_status": "ok", + "best_affinity": -10.29, + "qc_pass": true, + "flags": [], + "pdb_id": "6WV3", + "review_class": "A_pass" + }, + { + "drug_id": 278, + "canonical_name": "Ethinyl estradiol", + "index_key": "ETHINYL_ESTRADIOL_ESR1", + "tier": "2", + "pdb_id_catalog": "3ERT", + "het_id_catalog": "4HT", + "source": "moltgate_ui", + "session_id": "7c115938fa64ac20", + "run_status": "ok", + "best_affinity": -9.275, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 4/9 poses outside" + ], + "pdb_id": "3ERT", + "review_class": "A_pass" + }, + { + "drug_id": 279, + "canonical_name": "Medroxyprogesterone", + "index_key": "MEDROXYPROGESTERONE_PGR", + "tier": "1", + "pdb_id_catalog": "1A28", + "het_id_catalog": "PRG", + "source": "moltgate_ui", + "session_id": "d52b1b7c0313bded", + "run_status": "ok", + "best_affinity": -9.921, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "1A28", + "review_class": "A_pass" + }, + { + "drug_id": 280, + "canonical_name": "Norethindrone", + "index_key": "NORETHINDRONE_PGR_PROXY", + "tier": "2", + "pdb_id_catalog": "1A28", + "het_id_catalog": "PRG", + "source": "moltgate_ui", + "session_id": "f257c27a974b4a40", + "run_status": "ok", + "best_affinity": -10.23, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 1/9 poses outside" + ], + "pdb_id": "1A28", + "review_class": "A_pass" + }, + { + "drug_id": 281, + "canonical_name": "Danazol", + "index_key": "DANAZOL_AR", + "tier": "2", + "pdb_id_catalog": "3R5W", + "het_id_catalog": "ENZ", + "source": "moltgate_ui", + "session_id": "2b5ab3a317c9a406", + "run_status": "ok", + "best_affinity": -8.487, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "3R5W", + "review_class": "A_pass" + }, + { + "drug_id": 282, + "canonical_name": "Fludrocortisone", + "index_key": "FLUDROCORTISONE_NR3C2_PROXY", + "tier": "2", + "pdb_id_catalog": "2AA2", + "het_id_catalog": "SPI", + "source": "moltgate_ui", + "session_id": "e6b135a941ca37d5", + "run_status": "ok", + "best_affinity": -9.599, + "qc_pass": false, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "pdb_id": "2AA2", + "review_class": "B_qc_fail" + }, + { + "drug_id": 283, + "canonical_name": "Cefalexin", + "index_key": "CEFALEXIN_PBP_PROXY", + "tier": "2", + "pdb_id_catalog": "1PWP", + "het_id_catalog": "PG2", + "source": "moltgate_ui", + "session_id": "ab55a9f5339f9d88", + "run_status": "ok", + "best_affinity": -7.346, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 4/9 poses outside" + ], + "pdb_id": "1PWP", + "review_class": "A_pass" + }, + { + "drug_id": 284, + "canonical_name": "Cefazolin", + "index_key": "CEFAZOLIN_PBP_PROXY", + "tier": "2", + "pdb_id_catalog": "1PWP", + "het_id_catalog": "PG2", + "source": "moltgate_ui", + "session_id": "3752b13370d32439", + "run_status": "ok", + "best_affinity": -7.018, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "1PWP", + "review_class": "A_pass" + }, + { + "drug_id": 285, + "canonical_name": "Dicloxacillin", + "index_key": "DICLOXACILLIN_PBP_PROXY", + "tier": "2", + "pdb_id_catalog": "1PWP", + "het_id_catalog": "PG2", + "source": "moltgate_ui", + "session_id": "90a22c096024d34d", + "run_status": "ok", + "best_affinity": -7.384, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "1PWP", + "review_class": "A_pass" + }, + { + "drug_id": 286, + "canonical_name": "Tetracycline", + "index_key": "TETRACYCLINE_RIBOSOME", + "tier": "2", + "pdb_id_catalog": "1HNW", + "het_id_catalog": "DOX", + "source": "moltgate_ui", + "session_id": "e6455e277afcf288", + "run_status": "ok", + "best_affinity": -4.556, + "qc_pass": false, + "flags": [ + "SCORE_WEAK: best pose -4.556 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MINOR: 4/9 poses outside" + ], + "pdb_id": "1HNW", + "review_class": "B_qc_fail" + }, + { + "drug_id": 287, + "canonical_name": "Erythromycin", + "index_key": "ERYTHROMYCIN_RIBOSOME", + "tier": "2", + "pdb_id_catalog": "1YIJ", + "het_id_catalog": "CLR", + "source": "moltgate_ui", + "session_id": "cd724b08b3d75a8b", + "run_status": "fail", + "best_affinity": null, + "qc_pass": null, + "flags": [], + "pdb_id": null, + "review_class": "A_pipeline_fail" + }, + { + "drug_id": 288, + "canonical_name": "Gentamicin", + "index_key": "GENTAMICIN_RIBOSOME", + "tier": "2", + "pdb_id_catalog": "1HNW", + "het_id_catalog": "DOX", + "source": "moltgate_ui", + "session_id": "ee964b763fdfaa00", + "run_status": "ok", + "best_affinity": -4.464, + "qc_pass": false, + "flags": [ + "SCORE_WEAK: best pose -4.464 kcal/mol > 閾值 -6.0" + ], + "pdb_id": "1HNW", + "review_class": "B_qc_fail" + }, + { + "drug_id": 289, + "canonical_name": "Streptomycin", + "index_key": "STREPTOMYCIN_RIBOSOME", + "tier": "2", + "pdb_id_catalog": "1HNW", + "het_id_catalog": "DOX", + "source": "moltgate_ui", + "session_id": "9fc60a43f72b421b", + "run_status": "ok", + "best_affinity": -4.144, + "qc_pass": false, + "flags": [ + "SCORE_WEAK: best pose -4.144 kcal/mol > 閾值 -6.0" + ], + "pdb_id": "1HNW", + "review_class": "B_qc_fail" + }, + { + "drug_id": 290, + "canonical_name": "Tobramycin", + "index_key": "TOBRAMYCIN_RIBOSOME", + "tier": "2", + "pdb_id_catalog": "1HNW", + "het_id_catalog": "DOX", + "source": "moltgate_ui", + "session_id": "77a2ba15b637b213", + "run_status": "ok", + "best_affinity": -4.12, + "qc_pass": false, + "flags": [ + "SCORE_WEAK: best pose -4.120 kcal/mol > 閾值 -6.0" + ], + "pdb_id": "1HNW", + "review_class": "B_qc_fail" + }, + { + "drug_id": 291, + "canonical_name": "Meropenem", + "index_key": "MEROPENEM_PBP_PROXY", + "tier": "2", + "pdb_id_catalog": "1PWP", + "het_id_catalog": "PG2", + "source": "moltgate_ui", + "session_id": "078e02157d4957e2", + "run_status": "ok", + "best_affinity": -7.35, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "1PWP", + "review_class": "A_pass" + }, + { + "drug_id": 292, + "canonical_name": "Imipenem", + "index_key": "IMIPENEM_PBP_PROXY", + "tier": "2", + "pdb_id_catalog": "1PWP", + "het_id_catalog": "PG2", + "source": "moltgate_ui", + "session_id": "6cc9a6746b36d3cb", + "run_status": "ok", + "best_affinity": -7.371, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "1PWP", + "review_class": "A_pass" + }, + { + "drug_id": 293, + "canonical_name": "Amikacin", + "index_key": "AMIKACIN_RIBOSOME", + "tier": "2", + "pdb_id_catalog": "1HNW", + "het_id_catalog": "DOX", + "source": "moltgate_ui", + "session_id": "1bff5e84461d89a3", + "run_status": "ok", + "best_affinity": -4.175, + "qc_pass": false, + "flags": [ + "SCORE_WEAK: best pose -4.175 kcal/mol > 閾值 -6.0" + ], + "pdb_id": "1HNW", + "review_class": "B_qc_fail" + }, + { + "drug_id": 294, + "canonical_name": "Cobimetinib", + "index_key": "COBIMETINIB_MEK1", + "tier": "1", + "pdb_id_catalog": "4AN2", + "het_id_catalog": "COB", + "source": "moltgate_ui", + "session_id": "e2e573d58d64d84a", + "run_status": "ok", + "best_affinity": -10.57, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 1/9 poses outside" + ], + "pdb_id": "4AN2", + "review_class": "A_pass" + }, + { + "drug_id": 295, + "canonical_name": "Binimetinib", + "index_key": "BINIMETINIB_MEK1", + "tier": "1", + "pdb_id_catalog": "3ORX", + "het_id_catalog": "BIN", + "source": "moltgate_ui", + "session_id": "835a930be8102c74", + "run_status": "ok", + "best_affinity": -7.117, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 4/9 poses outside" + ], + "pdb_id": "3ORX", + "review_class": "A_pass" + }, + { + "drug_id": 296, + "canonical_name": "Vismodegib", + "index_key": "VISMODEGIB_SMO", + "tier": "1", + "pdb_id_catalog": "4I72", + "het_id_catalog": "VIS", + "source": "moltgate_ui", + "session_id": "c22de7fd969e419a", + "run_status": "ok", + "best_affinity": -8.668, + "qc_pass": true, + "flags": [], + "pdb_id": "4I72", + "review_class": "A_pass" + }, + { + "drug_id": 297, + "canonical_name": "Sonidegib", + "index_key": "SONIDEGIB_SMO", + "tier": "1", + "pdb_id_catalog": "4N82", + "het_id_catalog": "SON", + "source": "moltgate_ui", + "session_id": "f6f6ad353a693b26", + "run_status": "ok", + "best_affinity": -10.95, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 2/9 poses outside" + ], + "pdb_id": "4N82", + "review_class": "A_pass" + }, + { + "drug_id": 298, + "canonical_name": "Adagrasib", + "index_key": "ADAGRASIB_KRAS", + "tier": "1", + "pdb_id_catalog": "6UT0", + "het_id_catalog": "ADG", + "source": "moltgate_ui", + "session_id": "255d5569e8304bed", + "run_status": "ok", + "best_affinity": -10.64, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 2/9 poses outside" + ], + "pdb_id": "6UT0", + "review_class": "A_pass" + }, + { + "drug_id": 299, + "canonical_name": "Mobocertinib", + "index_key": "MOBOCERTINIB_EGFR", + "tier": "1", + "pdb_id_catalog": "7SIM", + "het_id_catalog": "MOB", + "source": "moltgate_ui", + "session_id": "eadbeea6ad720387", + "run_status": "ok", + "best_affinity": -9.172, + "qc_pass": true, + "flags": [], + "pdb_id": "7SIM", + "review_class": "A_pass" + }, + { + "drug_id": 300, + "canonical_name": "Tivozanib", + "index_key": "TIVOZANIB_VEGFR", + "tier": "1", + "pdb_id_catalog": "4ASD", + "het_id_catalog": "TIV", + "source": "moltgate_ui", + "session_id": "af854c719f0c24fd", + "run_status": "ok", + "best_affinity": -11.08, + "qc_pass": true, + "flags": [ + "OUT_OF_POCKET_MINOR: 3/9 poses outside" + ], + "pdb_id": "4ASD", + "review_class": "A_pass" + } + ] +} diff --git a/config/drug_catalog_300_plan.csv b/config/drug_catalog_300_plan.csv new file mode 100644 index 0000000000000000000000000000000000000000..8aa7d49a074b25f8a00cc02c3b41f3f675aa03ac --- /dev/null +++ b/config/drug_catalog_300_plan.csv @@ -0,0 +1,301 @@ +symptom_group,group_slot,drug_id,index_key,canonical_name,catalog_status,index_in_master,batch,notes +METABOLIC,1,8,CA2,Acetazolamide,seed_ok,yes,01,CreaDrug24 seed +METABOLIC,2,23,DPP4_ALOGLIPTIN,Alogliptin,seed_ok,yes,01,CreaDrug24 seed +METABOLIC,3,24,DPP4_LINAGLIPTIN,Linagliptin,seed_ok,yes,01,CreaDrug24 seed +METABOLIC,4,25,AMPK_METFORMIN_PROXY,Metformin,seed_ok,yes,01,Proxy ADaM pocket; M4 must select 992 not STU +METABOLIC,5,26,SITAGLIPTIN_DPP4,Sitagliptin,seed_ok,yes,01,Direct DPP4-sitagliptin cocrystal (1X70) +METABOLIC,6,27,ATORVASTATIN_HMGCR_PROXY,Atorvastatin,seed_ok,yes,01,Direct HMGCR-atorvastatin cocrystal (1HWK); index_key retains _PROXY legacy name +METABOLIC,7,29,OMEPRAZOLE_CYP2C19,Omeprazole,seed_ok,yes,01,Human CYP2C19 (4GQS); co-crystal ligand 0XV is inhibitor not omeprazole (substrate) +METABOLIC,8,30,AMLODIPINE_CACNA1C_PROXY,Amlodipine,seed_ok,yes,01,Human Cav1.2 cryo-EM (8WE8) with amlodipine (6UB) in DHP blocker site +METABOLIC,9,31,LOSARTAN_AT1R_PROXY,Losartan,seed_ok,yes,02,"Human AT1R (4ZUD); co-crystal OLM is olmesartan, not losartan" +METABOLIC,10,32,ROSUVASTATIN_HMGCR,Rosuvastatin,seed_ok,yes,02,HMG-CoA reductase rosuvastatin analog (3B7Q/6PL) +METABOLIC,11,33,SIMVASTATIN_HMGCR,Simvastatin,seed_ok,yes,02,Direct HMGCR-simvastatin (1HW9/SIM) +METABOLIC,12,34,PIOGLITAZONE_PPARgamma_PROXY,Pioglitazone,seed_ok,yes,02,"PPARgamma TZD scaffold (2PRG/BRL), not pioglitazone co-crystal" +METABOLIC,13,35,EMPAGLIFLOZIN_SGLT2,Empagliflozin,seed_ok,yes,02,SGLT2 inhibitor bound state (7VSI/7R3) +METABOLIC,14,36,SAXAGLIPTIN_DPP4,Saxagliptin,seed_ok,yes,02,Direct DPP4-saxagliptin analog (3C43/315) +METABOLIC,15,37,LANSOPRAZOLE_CYP2C19,Lansoprazole,seed_ok,yes,02,Human CYP2C19 template; 0XV is inhibitor not lansoprazole +METABOLIC,16,38,METOPROLOL_ADRB1_PROXY,Metoprolol,seed_ok,yes,02,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate +METABOLIC,17,39,FENOFIBRATE_PPARalpha,Fenofibrate,seed_ok,yes,02,PPARalpha fenofibric acid analog (1K74/544) +METABOLIC,18,40,HYDROCHLOROTHIAZIDE_CA2_PROXY,Hydrochlorothiazide,seed_ok,yes,02,CA2 pocket template via acetazolamide; thiazide mechanism differs +METABOLIC,19,61,GLIPIZIDE_KATP_PROXY,Glipizide,seed_ok,yes,03,KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ) +METABOLIC,20,62,REPAGLINIDE_KATP,Repaglinide,seed_ok,yes,03,Direct KATP-repaglinide co-crystal (3VE0/REP) +METABOLIC,21,63,CANAGLIFLOZIN_SGLT2,Canagliflozin,seed_ok,yes,03,SGLT2-canagliflozin bound state (7VSL/5ZI) +METABOLIC,22,64,DAPAGLIFLOZIN_SGLT2,Dapagliflozin,seed_ok,yes,03,SGLT2-dapagliflozin co-crystal (6VBL/DAP) +METABOLIC,23,65,EZETIMIBE_NPC1L1,Ezetimibe,seed_ok,yes,03,NPC1L1-ezetimibe co-crystal (3QNT/EZE) +METABOLIC,24,66,PRAVASTATIN_HMGCR_PROXY,Pravastatin,seed_ok,yes,03,HMGCR statin pocket via simvastatin site (1HW9/SIM); pravastatin not co-crystal ligand +METABOLIC,25,67,LOVASTATIN_HMGCR,Lovastatin,seed_ok,yes,03,HMGCR-mevastatin/lovastatin family co-crystal (1HW8/MVA) +METABOLIC,26,68,VALSARTAN_AT1R_PROXY,Valsartan,seed_ok,yes,03,"Human AT1R (4ZUD); OLM is olmesartan surrogate, not valsartan" +METABOLIC,27,69,SPIRONOLACTONE_NR3C2,Spironolactone,seed_ok,yes,03,Mineralocorticoid receptor-spironolactone (2AA2/SPI) +METABOLIC,28,70,PROPRANOLOL_ADRB1_PROXY,Propranolol,seed_ok,yes,03,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02) +METABOLIC,29,91,GLIMEPIRIDE_KATP_PROXY,Glimepiride,seed_ok,yes,04,KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ) +METABOLIC,30,92,MIGLITOL_GLUCOSIDASE,Miglitol,seed_ok,yes,04,Alpha-glucosidase-miglitol co-crystal (2BB0/MIG) +METABOLIC,31,93,ACARBOSE_GLUCOSIDASE,Acarbose,seed_ok,yes,04,Maltase-acarbose co-crystal (2QV4/ACA) +METABOLIC,32,94,GEMFIBROZIL_PPARalpha_PROXY,Gemfibrozil,seed_ok,yes,04,PPARalpha fibrate pocket via fenofibric acid analog (1K74/544) +METABOLIC,33,95,ALLOPURINOL_XDH,Allopurinol,seed_ok,yes,04,Xanthine oxidase-allopurinol analog (3NTZ/ALP) +METABOLIC,34,96,FEBUXOSTAT_XDH,Febuxostat,seed_ok,yes,04,Xanthine oxidase-febuxostat co-crystal (3EY8/FEB) +METABOLIC,35,97,BISOPROLOL_ADRB1_PROXY,Bisoprolol,seed_ok,yes,04,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02) +METABOLIC,36,98,NIFEDIPINE_CACNA1C,Nifedipine,seed_ok,yes,04,Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB); nifedipine not co-crystal ligand +METABOLIC,37,99,VERAPAMIL_CACNA1C_PROXY,Verapamil,seed_ok,yes,04,Cav1.2 channel template; phenylalkylamine mechanism differs from DHP site +METABOLIC,38,100,PANTOPRAZOLE_CYP2C19_PROXY,Pantoprazole,seed_ok,yes,04,"Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not pantoprazole" +METABOLIC,39,121,ESOMEPRAZOLE_CYP2C19_PROXY,Esomeprazole,seed_ok,yes,05,"Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not esomeprazole" +METABOLIC,40,122,NATEGLINIDE_KATP_PROXY,Nateglinide,seed_ok,yes,05,KATP pocket via repaglinide site (3VE0/REP); nateglinide not co-crystal ligand +METABOLIC,41,123,VOGLIBOSE_GLUCOSIDASE_PROXY,Voglibose,seed_ok,yes,05,Alpha-glucosidase pocket via acarbose site (2QV4/ACA) +METABOLIC,42,124,EPLERENONE_NR3C2,Eplerenone,seed_ok,yes,05,Mineralocorticoid receptor-eplerenone (2W44/EPL) +METABOLIC,43,125,TELMISARTAN_AT1R,Telmisartan,seed_ok,yes,05,AT1R-telmisartan co-crystal (4YAY/TEL) +METABOLIC,44,126,LISINOPRIL_ACE,Lisinopril,seed_ok,yes,05,ACE-lisinopril co-crystal (1O86/LIS) +METABOLIC,45,127,DILTIAZEM_CACNA1C_PROXY,Diltiazem,seed_ok,yes,05,Cav1.2 channel template; benzothiazepine mechanism differs from DHP site +METABOLIC,46,128,FUROSEMIDE_SLC12A_PROXY,Furosemide,seed_ok,yes,05,Exploratory loop diuretic template via CA2 site (3HS4/AZM); mechanism is NKCC2 +METABOLIC,47,129,ORLISTAT_LIPASE,Orlistat,seed_ok,yes,05,Pancreatic lipase-orlistat co-crystal (1LPB/ORL) +METABOLIC,48,130,LEVOTHYROXINE_THRB_PROXY,Levothyroxine,seed_ok,yes,05,Thyroid hormone receptor template via T3 site (1NAV/T3) +METABOLIC,49,151,ENALAPRIL_ACE_PROXY,Enalapril,seed_ok,yes,06,ACE pocket via lisinopril site (1O86/LIS); enalapril is prodrug +METABOLIC,50,152,RAMIPRIL_ACE_PROXY,Ramipril,seed_ok,yes,06,ACE pocket via lisinopril site (1O86/LIS); ramipril is prodrug +METABOLIC,51,153,CANDESARTAN_AT1R,Candesartan,seed_ok,yes,06,"Human AT1R (4ZUD); OLM olmesartan surrogate, not candesartan co-crystal" +METABOLIC,52,154,IRBESARTAN_AT1R_PROXY,Irbesartan,seed_ok,yes,06,Human AT1R (4ZUD); OLM is olmesartan surrogate +METABOLIC,53,155,OLMESARTAN_AT1R,Olmesartan,seed_ok,yes,06,AT1R-olmesartan co-crystal (4ZUD/OLM) +METABOLIC,54,156,ROSIGLITAZONE_PPARG,Rosiglitazone,seed_ok,yes,06,PPARgamma-rosiglitazone co-crystal (2PRG/BRL) +METABOLIC,55,157,GLYBURIDE_KATP,Glyburide,seed_ok,yes,06,KATP SUR1-Kir6.2 glibenclamide co-crystal (3SYQ/GBL) +METABOLIC,56,158,ATENOLOL_ADRB1_PROXY,Atenolol,seed_ok,yes,06,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02) +METABOLIC,57,159,FELODIPINE_CACNA1C_PROXY,Felodipine,seed_ok,yes,06,Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB) +METABOLIC,58,160,SACUBITRIL_MEP,Sacubitril,seed_ok,yes,06,Neprilysin-sacubitril analog in LCZ696 complex (6V06/SGN) +METABOLIC,59,181,CAPTOPRIL_ACE,Captopril,seed_ok,yes,07,ACE-captopril co-crystal (1UZF/CAP) +METABOLIC,60,182,BENAZEPRIL_ACE_PROXY,Benazepril,seed_ok,yes,07,ACE pocket via lisinopril site (1O86/LIS); benazepril is prodrug +METABOLIC,61,183,CHLORTHALIDONE_CA2_PROXY,Chlorthalidone,seed_ok,yes,07,CA2 template via acetazolamide (3HS4/AZM); thiazide-like diuretic +METABOLIC,62,184,AMILORIDE_ENAC_PROXY,Amiloride,seed_ok,yes,07,Exploratory ENaC blocker template; mechanism differs from CA2 site +METABOLIC,63,185,RANOLAZINE_SCN5A,Ranolazine,seed_ok,yes,07,NaV1.5-ranolazine analog site (2FBI/RAN) +METABOLIC,64,186,BROMOCRIPTINE_DRD2,Bromocriptine,seed_ok,yes,07,D2 receptor-bromocriptine (3PBL/BRM) +METABOLIC,65,187,NIACIN_GPR109A,Niacin,seed_ok,yes,07,GPR109A-niacin co-crystal (3R7A/NIA) +METABOLIC,66,188,DIAZOXIDE_KATP_PROXY,Diazoxide,seed_ok,yes,07,KATP channel template via sulfonylurea site (3SYQ/GBL); diazoxide is channel opener +METABOLIC,67,189,SEMAGLUTIDE_GLP1R,Semaglutide,seed_ok,yes,07,GLP-1R-semaglutide cryo-EM (6X18/SEM); peptide SMILES is placeholder +METABOLIC,68,190,EXENATIDE_GLP1R,Exenatide,seed_ok,yes,07,GLP-1R-exenatide cryo-EM (5VAI/EXN); peptide SMILES is placeholder +METABOLIC,69,211,PERINDOPRIL_ACE_PROXY,Perindopril,seed_ok,yes,08,ACE pocket via lisinopril (1O86/LIS); prodrug +METABOLIC,70,212,METHIMAZOLE_TPO,Methimazole,seed_ok,yes,08,Thyroid peroxidase-methimazole (3ZGS/MMI) +METABOLIC,71,213,PROPYLTHIOURACIL_TPO_PROXY,Propylthiouracil,seed_ok,yes,08,TPO pocket via methimazole site (3ZGS/MMI) +METABOLIC,72,214,TOLBUTAMIDE_KATP_PROXY,Tolbutamide,seed_ok,yes,08,KATP via glibenclamide site (3SYQ/GBL) +METABOLIC,73,215,CHLORPROPAMIDE_KATP_PROXY,Chlorpropamide,seed_ok,yes,08,KATP sulfonylurea pocket template (3SYQ/GBL) +METABOLIC,74,216,BEZAFIBRATE_PPARalpha_PROXY,Bezafibrate,seed_ok,yes,08,PPARalpha via fenofibric acid (1K74/544) +METABOLIC,75,217,METOLAZONE_CA2_PROXY,Metolazone,seed_ok,yes,08,CA2 template via acetazolamide (3HS4/AZM) +METABOLIC,76,218,TORSEMIDE_SLC12A_PROXY,Torsemide,seed_ok,yes,08,Loop diuretic exploratory template +METABOLIC,77,219,METOCLOPRAMIDE_DRD2_PROXY,Metoclopramide,seed_ok,yes,08,D2 receptor template (6CM4/8NU) +METABOLIC,78,220,DULAGLUTIDE_GLP1R,Dulaglutide,seed_ok,yes,08,GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder SMILES +METABOLIC,79,241,LIRAGLUTIDE_GLP1R_PROXY,Liraglutide,seed_ok,yes,09,GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder +METABOLIC,80,242,CLOFIBRATE_PPARalpha_PROXY,Clofibrate,seed_ok,yes,09,PPARalpha via fenofibric acid (1K74/544) +METABOLIC,81,243,NICOTINE_NACHR,Nicotine,seed_ok,yes,09,nAChR-nicotine co-crystal (4EY7/NIC) +METABOLIC,82,244,GLICLAZIDE_KATP_PROXY,Gliclazide,seed_ok,yes,09,KATP via glibenclamide (3SYQ/GBL) +METABOLIC,83,245,DOMPERIDONE_DRD2_PROXY,Domperidone,seed_ok,yes,09,D2/3 receptor template (6CM4/8NU) +METABOLIC,84,246,LITHIUM_IMPASE_PROXY,Lithium,seed_ok,yes,09,Inositol monophosphatase exploratory template (1W7O/LIT) +METABOLIC,85,247,SULFASALAZINE_DHFR_PROXY,Sulfasalazine,seed_ok,yes,09,DHFR pocket via trimethoprim (2W9G/TMP); also anti-inflammatory prodrug +METABOLIC,86,248,MESALAMINE_COX2_PROXY,Mesalamine,seed_ok,yes,09,COX pocket template (5IKT/TLF); gut anti-inflammatory +METABOLIC,87,249,URSODIOL_FXR,Ursodeoxycholic acid,seed_ok,yes,09,FXR-ursodeoxycholic acid (3OLF/UDC) +METABOLIC,88,250,MINOXIDIL_KATP_PROXY,Minoxidil,seed_ok,yes,09,KATP channel opener; template via sulfonylurea site (3SYQ/GBL) +METABOLIC,89,271,LIOTHYRONINE_THRB_PROXY,Liothyronine,seed_ok,yes,10,Thyroid hormone receptor via T3 (1NAV/T3) +METABOLIC,90,272,CIMETIDINE_HRH2_PROXY,Cimetidine,seed_ok,yes,10,H2 receptor via famotidine site (3RSG/FAM) +METABOLIC,91,273,ACETOHEXAMIDE_KATP_PROXY,Acetohexamide,seed_ok,yes,10,KATP via glibenclamide (3SYQ/GBL) +METABOLIC,92,274,PHENFORMIN_AMPK_PROXY,Phenformin,seed_ok,yes,10,AMPK/biguanide pocket via metformin surrogate (4CFE/992) +METABOLIC,93,275,GLUCAGON_GCGR,Glucagon,seed_ok,yes,10,Glucagon receptor cryo-EM (4L6R/GLU); peptide placeholder SMILES +METABOLIC,94,276,INSULIN_GLARGINE_INSR_PROXY,Insulin glargine,seed_ok,yes,10,Insulin receptor template (4OGA/INS); peptide placeholder +METABOLIC,95,277,PHENPROCOUMON_VKOR_PROXY,Phenprocoumon,seed_ok,yes,10,VKOR via warfarin site (6WV3/SWF) +METABOLIC,96,278,ETHINYL_ESTRADIOL_ESR1,Ethinyl estradiol,seed_ok,yes,10,Estrogen receptor via 4-hydroxytamoxifen site (3ERT/4HT) +METABOLIC,97,279,MEDROXYPROGESTERONE_PGR,Medroxyprogesterone,seed_ok,yes,10,Progesterone receptor-progesterone (1A28/PRG) +METABOLIC,98,280,NORETHINDRONE_PGR_PROXY,Norethindrone,seed_ok,yes,10,Progesterone receptor template (1A28/PRG) +METABOLIC,99,281,DANAZOL_AR,Danazol,seed_ok,yes,10,Androgen receptor via enzalutamide (3R5W/ENZ) +METABOLIC,100,282,FLUDROCORTISONE_NR3C2_PROXY,Fludrocortisone,seed_ok,yes,10,Mineralocorticoid receptor via spironolactone (2AA2/SPI) +INFLAM,1,1,COX2,Ibuprofen,seed_ok,yes,01,CreaDrug24 seed +INFLAM,2,2,COX2_CLX,Celecoxib,seed_ok,yes,01,CreaDrug24 seed +INFLAM,3,3,NEURAMINIDASE,Oseltamivir,seed_ok,yes,01,CreaDrug24 seed +INFLAM,4,5,DHFR,Methotrexate,seed_ok,yes,01,CreaDrug24 seed +INFLAM,5,6,CYP51,Fluconazole,seed_ok,yes,01,CreaDrug24 seed +INFLAM,6,12,DRD2_QUETIAPINE_PROXY,Quetiapine,seed_ok,yes,01,CreaDrug24 seed +INFLAM,7,21,PDE4D_CILOMILAST,Cilomilast,seed_ok,yes,01,CreaDrug24 seed +INFLAM,8,22,PDE4D_ROFLUMILAST,Roflumilast,seed_ok,yes,01,CreaDrug24 seed +INFLAM,9,28,ASPIRIN_COX2,Aspirin,seed_ok,yes,01,COX-2 NSAID pocket via 5IKT flurbiprofen (TLF); paired with Ibuprofen entry +INFLAM,10,41,DICLOFENAC_COX2,Diclofenac,seed_ok,yes,02,COX-2 diclofenac analog co-crystal (5IKR/ID8) +INFLAM,11,42,NAPROXEN_COX2,Naproxen,seed_ok,yes,02,NSAID pocket via 5IKT/TLF template; naproxen is not co-crystal ligand +INFLAM,12,43,MELOXICAM_COX2_PROXY,Meloxicam,seed_ok,yes,02,COX-2 pocket via diclofenac analog site (5IKR/ID8) +INFLAM,13,44,HYDROXYCHLOROQUINE_LYSO_PROXY,Hydroxychloroquine,seed_ok,yes,02,Exploratory lysosomal/endosomal template; not direct HCQ co-crystal +INFLAM,14,45,MONTELUKAST_CYSLT1_PROXY,Montelukast,seed_ok,yes,02,CysLT receptor; KNT is pranlukast surrogate (6RZ4) +INFLAM,15,46,ALBUTEROL_ADRB2_PROXY,Albuterol,seed_ok,yes,02,Beta-2 receptor; Y00 is dobutamine surrogate (2Y00) +INFLAM,16,47,CIPROFLOXACIN_GYRASE,Ciprofloxacin,seed_ok,yes,02,DNA gyrase-ciprofloxacin (2XCT/CPF) +INFLAM,17,48,PREDNISONE_NR3C1_PROXY,Prednisone,seed_ok,yes,02,Glucocorticoid receptor; DEX is dexamethasone surrogate +INFLAM,18,49,ACETAMINOPHEN_COX2_PROXY,Acetaminophen,seed_ok,yes,02,COX pocket template via 5IKT/TLF; acetaminophen COX mechanism debated +INFLAM,19,50,FLUOXETINE_SERT_PROXY,Fluoxetine,seed_ok,yes,02,SERT template; 8PR is paroxetine surrogate (5I6X) +INFLAM,20,71,INDOMETHACIN_COX2_PROXY,Indomethacin,seed_ok,yes,03,COX-2 pocket via diclofenac analog site (5IKR/ID8) +INFLAM,21,72,KETOROLAC_COX2,Ketorolac,seed_ok,yes,03,COX-2-ketorolac co-crystal (1Q4G/KRL) +INFLAM,22,73,PIROXICAM_COX2_PROXY,Piroxicam,seed_ok,yes,03,COX pocket via flurbiprofen template (5IKT/TLF) +INFLAM,23,74,AZITHROMYCIN_RIBOSOME,Azithromycin,seed_ok,yes,03,50S ribosome-azithromycin (1YII/AZI) +INFLAM,24,75,AMOXICILLIN_PBP_PROXY,Amoxicillin,seed_ok,yes,03,Penicillin-binding protein template; PG2 is penicillin G surrogate (1PWP) +INFLAM,25,76,DOXYCYCLINE_RIBOSOME,Doxycycline,seed_ok,yes,03,30S ribosome-doxycycline (1HNW/DOX) +INFLAM,26,77,LEVOFLOXACIN_GYRASE,Levofloxacin,seed_ok,yes,03,DNA gyrase fluoroquinolone pocket via ciprofloxacin (2XCT/CPF) +INFLAM,27,78,TRIMETHOPRIM_DHFR,Trimethoprim,seed_ok,yes,03,DHFR-trimethoprim co-crystal (2W9G/TMP) +INFLAM,28,79,SERTRALINE_SERT_PROXY,Sertraline,seed_ok,yes,03,SERT template; 8PR is paroxetine surrogate (5I6X) +INFLAM,29,80,PAROXETINE_SERT,Paroxetine,seed_ok,yes,03,Direct SERT-paroxetine co-crystal (5I6X/8PR) +INFLAM,30,101,COLCHICINE_TUBULIN,Colchicine,seed_ok,yes,04,Tubulin-colchicine co-crystal (1BT6/COL) +INFLAM,31,102,SULINDAC_COX2_PROXY,Sulindac,seed_ok,yes,04,COX-2 pocket via diclofenac analog site (5IKR/ID8) +INFLAM,32,103,GABAPENTIN_CACNA2D_PROXY,Gabapentin,seed_ok,yes,04,Alpha2delta subunit exploratory template (5E6I); binding site debated +INFLAM,33,104,CARBAMAZEPINE_NAV_PROXY,Carbamazepine,seed_ok,yes,04,Exploratory voltage-gated channel template; carbamazepine mechanism is Na+ channel +INFLAM,34,105,VALPROIC_ACID_HDAC_PROXY,Valproic acid,seed_ok,yes,04,HDAC pocket template via vorinostat site (4LXZ/SHH); VPA also has GABAergic mechanism +INFLAM,35,106,METRONIDAZOLE_NITROREDUCTASE,Metronidazole,seed_ok,yes,04,Nitroreductase-metronidazole (1MNU/MET) +INFLAM,36,107,CLINDAMYCIN_RIBOSOME,Clindamycin,seed_ok,yes,04,50S ribosome-clindamycin (1YHQ/CLI) +INFLAM,37,108,VANCOMYCIN_PBP,Vancomycin,seed_ok,yes,04,Peptidoglycan-vancomycin complex (1FVM/VAN) +INFLAM,38,109,CLARITHROMYCIN_RIBOSOME,Clarithromycin,seed_ok,yes,04,50S ribosome-clarithromycin (1YIJ/CLR) +INFLAM,39,110,RIFAMPIN_RNAP,Rifampin,seed_ok,yes,04,RNA polymerase-rifampin (5UAC/RFP) +INFLAM,40,131,MORPHINE_OPRM1,Morphine,seed_ok,yes,05,Mu-opioid receptor-morphine analog (8DZP/MOR) +INFLAM,41,132,FENTANYL_OPRM1_PROXY,Fentanyl,seed_ok,yes,05,Mu-opioid receptor template via morphine site (8DZP/MOR) +INFLAM,42,133,PREGABALIN_CACNA2D_PROXY,Pregabalin,seed_ok,yes,05,Alpha2delta subunit exploratory template (5E6I); paired with gabapentin entry +INFLAM,43,134,LAMOTRIGINE_SCN_PROXY,Lamotrigine,seed_ok,yes,05,Exploratory voltage-gated channel template; lamotrigine targets Na+ channels +INFLAM,44,135,PHENYTOIN_SCN_PROXY,Phenytoin,seed_ok,yes,05,Na+ channel exploratory template (5T6R/PHT) +INFLAM,45,136,CLONAZEPAM_GABA_A,Clonazepam,seed_ok,yes,05,GABA-A receptor-clonazepam analog (1KTF/CLZ) +INFLAM,46,137,ESCITALOPRAM_SERT,Escitalopram,seed_ok,yes,05,SERT-citalopram/escitalopram family co-crystal (4IAR/CIT) +INFLAM,47,138,LINEZOLID_RIBOSOME,Linezolid,seed_ok,yes,05,50S ribosome-linezolid (3CPW/LZD) +INFLAM,48,139,ISONIAZID_INHA,Isoniazid,seed_ok,yes,05,InhA-isoniazid analog co-crystal (4C0X/INA) +INFLAM,49,140,ETHAMBUTOL_EMBA,Ethambutol,seed_ok,yes,05,EmbA-ethambutol co-crystal (4NBA/EMB) +INFLAM,50,161,TRAMADOL_OPRM1_PROXY,Tramadol,seed_ok,yes,06,Mu-opioid receptor template via morphine site (8DZP/MOR) +INFLAM,51,162,OXYCODONE_OPRM1_PROXY,Oxycodone,seed_ok,yes,06,Mu-opioid receptor template via morphine site (8DZP/MOR) +INFLAM,52,163,DULOXETINE_SERT_PROXY,Duloxetine,seed_ok,yes,06,SERT template; 8PR is paroxetine surrogate (5I6X); also NET activity +INFLAM,53,164,CITALOPRAM_SERT,Citalopram,seed_ok,yes,06,SERT-citalopram co-crystal (4IAR/CIT) +INFLAM,54,165,VENLAFAXINE_SERT_PROXY,Venlafaxine,seed_ok,yes,06,SERT/NET template via paroxetine site (5I6X/8PR) +INFLAM,55,166,LORAZEPAM_GABA_A_PROXY,Lorazepam,seed_ok,yes,06,GABA-A benzodiazepine site via clonazepam template (1KTF/CLZ) +INFLAM,56,167,FAMOTIDINE_HRH2,Famotidine,seed_ok,yes,06,Histamine H2 receptor-famotidine analog (3RSG/FAM) +INFLAM,57,168,ONDANSETRON_HTR3A,Ondansetron,seed_ok,yes,06,5-HT3 receptor-ondansetron analog (6DFZ/OND) +INFLAM,58,169,SUMATRIPTAN_HTR1B_PROXY,Sumatriptan,seed_ok,yes,06,5-HT1B receptor triptan template (6G4Q/SUM) +INFLAM,59,170,CYCLOSPORINE_PP2B,Cyclosporine,seed_ok,yes,06,Calcineurin-cyclosporine complex (1M63/CSA) +INFLAM,60,191,KETAMINE_NMDA,Ketamine,seed_ok,yes,07,NMDA receptor-ketamine site (3UO9/KET) +INFLAM,61,192,CODEINE_OPRM1_PROXY,Codeine,seed_ok,yes,07,Mu-opioid receptor template via morphine site (8DZP/MOR) +INFLAM,62,193,BUPROPION_DAT,Bupropion,seed_ok,yes,07,DAT-bupropion analog (4WNT/BUP) +INFLAM,63,194,MIRTAZAPINE_HTR2A_PROXY,Mirtazapine,seed_ok,yes,07,5-HT2A receptor template (6A93/MIR); also alpha2 antagonist +INFLAM,64,195,TRAZODONE_HTR2A_PROXY,Trazodone,seed_ok,yes,07,5-HT2A template via mirtazapine site (6A93/MIR) +INFLAM,65,196,ALPRAZOLAM_GABA_A,Alprazolam,seed_ok,yes,07,GABA-A receptor-alprazolam (4OWE/ALP) +INFLAM,66,197,RANITIDINE_HRH2_PROXY,Ranitidine,seed_ok,yes,07,H2 receptor template via famotidine site (3RSG/FAM) +INFLAM,67,198,MYCOPHENOLATE_IMPDH,Mycophenolate,seed_ok,yes,07,IMPDH-mycophenolic acid (1P5T/MPA) +INFLAM,68,199,KETOCONAZOLE_CYP51,Ketoconazole,seed_ok,yes,07,CYP51-ketoconazole (5VZA/KET) +INFLAM,69,200,VORICONAZOLE_CYP51,Voriconazole,seed_ok,yes,07,CYP51-voriconazole (5TZ4/VOR) +INFLAM,70,221,DIAZEPAM_GABA_A,Diazepam,seed_ok,yes,08,GABA-A via alprazolam site (4OWE/ALP) +INFLAM,71,222,BACLOFEN_GABA_B,Baclofen,seed_ok,yes,08,GABA-B receptor-baclofen (4WNC/BAC) +INFLAM,72,223,TIZANIDINE_ADRA2A_PROXY,Tizanidine,seed_ok,yes,08,Alpha-2 adrenergic template (6KUX/TIZ) +INFLAM,73,224,AZATHIOPRINE_TPMT,Azathioprine,seed_ok,yes,08,TPMT-azathioprine metabolite site (2H11/AZA) +INFLAM,74,225,PENICILLIN_G_PBP,Penicillin G,seed_ok,yes,08,PBP-penicillin G (1PWP/PG2) +INFLAM,75,226,AMPICILLIN_PBP_PROXY,Ampicillin,seed_ok,yes,08,PBP via penicillin G site (1PWP/PG2) +INFLAM,76,227,POSACONAZOLE_CYP51,Posaconazole,seed_ok,yes,08,CYP51 via ketoconazole site (5VZA/KET) +INFLAM,77,228,ACYCLOVIR_DNA_POL,Acyclovir,seed_ok,yes,08,Viral DNA polymerase-acyclovir analog (2GV9/ACV) +INFLAM,78,229,LEVOCETIRIZINE_HRH1,Levocetirizine,seed_ok,yes,08,H1 receptor-cetirizine family (3RZE/CET) +INFLAM,79,230,METHYLPREDNISOLONE_NR3C1_PROXY,Methylprednisolone,seed_ok,yes,08,Glucocorticoid receptor via dexamethasone (1M2Z/DEX) +INFLAM,80,251,ETODOLAC_COX2_PROXY,Etodolac,seed_ok,yes,09,COX-2 pocket via diclofenac analog (5IKR/ID8) +INFLAM,81,252,ITRACONAZOLE_CYP51_PROXY,Itraconazole,seed_ok,yes,09,CYP51 via ketoconazole site (5VZA/KET) +INFLAM,82,253,GANCICLOVIR_DNA_POL_PROXY,Ganciclovir,seed_ok,yes,09,Viral DNA polymerase via acyclovir site (2GV9/ACV) +INFLAM,83,254,REMDESIVIR_RDRP,Remdesivir,seed_ok,yes,09,RdRp-remdesivir complex (7BV2/REM) +INFLAM,84,255,SOFOSBUVIR_NS5B,Sofosbuvir,seed_ok,yes,09,HCV NS5B-sofosbuvir analog (4RXA/SOF) +INFLAM,85,256,RIBAVIRIN_RDRP,Ribavirin,seed_ok,yes,09,Viral polymerase-ribavirin analog (3HHZ/RIB) +INFLAM,86,257,DIPHENHYDRAMINE_HRH1_PROXY,Diphenhydramine,seed_ok,yes,09,H1 receptor via cetirizine site (3RZE/CET) +INFLAM,87,258,LORATADINE_HRH1_PROXY,Loratadine,seed_ok,yes,09,H1 receptor template (3RZE/CET) +INFLAM,88,259,HYDROXYZINE_HRH1_PROXY,Hydroxyzine,seed_ok,yes,09,H1 receptor template (3RZE/CET) +INFLAM,89,260,DOXEPIN_SERT_PROXY,Doxepin,seed_ok,yes,09,SERT template via paroxetine (5I6X/8PR) +INFLAM,90,283,CEFALEXIN_PBP_PROXY,Cefalexin,seed_ok,yes,10,PBP via penicillin G (1PWP/PG2) +INFLAM,91,284,CEFAZOLIN_PBP_PROXY,Cefazolin,seed_ok,yes,10,PBP cephalosporin template (1PWP/PG2) +INFLAM,92,285,DICLOXACILLIN_PBP_PROXY,Dicloxacillin,seed_ok,yes,10,PBP penicillinase-resistant template (1PWP/PG2) +INFLAM,93,286,TETRACYCLINE_RIBOSOME,Tetracycline,seed_ok,yes,10,30S ribosome via doxycycline (1HNW/DOX) +INFLAM,94,287,ERYTHROMYCIN_RIBOSOME,Erythromycin,seed_ok,yes,10,50S ribosome via clarithromycin (1YIJ/CLR) +INFLAM,95,288,GENTAMICIN_RIBOSOME,Gentamicin,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +INFLAM,96,289,STREPTOMYCIN_RIBOSOME,Streptomycin,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +INFLAM,97,290,TOBRAMYCIN_RIBOSOME,Tobramycin,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +INFLAM,98,291,MEROPENEM_PBP_PROXY,Meropenem,seed_ok,yes,10,PBP carbapenem template (1PWP/PG2) +INFLAM,99,292,IMIPENEM_PBP_PROXY,Imipenem,seed_ok,yes,10,PBP carbapenem template (1PWP/PG2) +INFLAM,100,293,AMIKACIN_RIBOSOME,Amikacin,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +ONCO_CV,1,4,ABLABL,Imatinib,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,2,7,PDE5,Sildenafil,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,3,9,EGFR,Gefitinib,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,4,10,VKOR,Warfarin,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,5,11,FKBP12_TACROLIMUS,Tacrolimus,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,6,13,EGFR_ERLOTINIB,Erlotinib,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,7,14,PDE5_VARDENAFIL,Vardenafil,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,8,15,FXA_APIXABAN,Apixaban,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,9,16,FXA_RIVAROXABAN,Rivaroxaban,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,10,17,HDAC2_VORINOSTAT,Vorinostat,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,11,18,ABL_NILOTINIB,Nilotinib,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,12,19,ABL_BOSUTINIB,Bosutinib,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,13,20,DDR1_PONATINIB,Ponatinib,seed_ok,yes,01,CreaDrug24 seed +ONCO_CV,14,51,DASATINIB_ABL,Dasatinib,seed_ok,yes,02,ABL-dasatinib co-crystal (2GQG/1N1) +ONCO_CV,15,52,SUNITINIB_VEGFR2,Sunitinib,seed_ok,yes,02,VEGFR2-sunitinib analog (3G5E/Q74) +ONCO_CV,16,53,LAPATINIB_EGFR,Lapatinib,seed_ok,yes,02,EGFR-lapatinib (1XKK/FMM) +ONCO_CV,17,54,PALBOCICLIB_CDK6,Palbociclib,seed_ok,yes,02,CDK6-palbociclib (5L2I/LQQ) +ONCO_CV,18,55,TRAMETINIB_MEK1,Trametinib,seed_ok,yes,02,MEK1-trametinib (7JUX/QOM) +ONCO_CV,19,56,LETROZOLE_CYP19,Letrozole,seed_ok,yes,02,Aromatase-letrozole analog (1E3Q/EBW) +ONCO_CV,20,57,ANASTROZOLE_CYP19,Anastrozole,seed_ok,yes,02,Aromatase-anastrozole (3S7S/EXM) +ONCO_CV,21,58,VENETOCLAX_BCL2,Venetoclax,seed_ok,yes,02,BCL2-venetoclax (6O0K/LBM) +ONCO_CV,22,59,DABRAFENIB_BRAF,Dabrafenib,seed_ok,yes,02,BRAF-dabrafenib (4XV2/P06) +ONCO_CV,23,60,CARVEDILOL_ADRB1_PROXY,Carvedilol,seed_ok,yes,02,Beta-1 receptor; 5FW is isoproterenol surrogate (2Y03) +ONCO_CV,24,81,OSIMERTINIB_EGFR,Osimertinib,seed_ok,yes,03,EGFR-osimertinib co-crystal (5XGN/OSS) +ONCO_CV,25,82,AFATINIB_EGFR,Afatinib,seed_ok,yes,03,EGFR-afatinib co-crystal (4G5J/AFT) +ONCO_CV,26,83,SORAFENIB_BRAF,Sorafenib,seed_ok,yes,03,BRAF-sorafenib co-crystal (3OG7/SOR) +ONCO_CV,27,84,CABOZANTINIB_MET,Cabozantinib,seed_ok,yes,03,MET kinase-cabozantinib analog (4O1B/X87) +ONCO_CV,28,85,IBRUTINIB_BTK,Ibrutinib,seed_ok,yes,03,BTK-ibrutinib co-crystal (4O5B/PPI) +ONCO_CV,29,86,OLAPARIB_PARP,Olaparib,seed_ok,yes,03,PARP1-olaparib co-crystal (5DS5/OL0) +ONCO_CV,30,87,RUXOLITINIB_JAK2,Ruxolitinib,seed_ok,yes,03,JAK2-ruxolitinib co-crystal (4IVC/RUX) +ONCO_CV,31,88,ENZALUTAMIDE_AR,Enzalutamide,seed_ok,yes,03,Androgen receptor-enzalutamide (3R5W/ENZ) +ONCO_CV,32,89,TAMOXIFEN_ESR1,Tamoxifen,seed_ok,yes,03,Estrogen receptor template; 4HT is 4-hydroxytamoxifen surrogate (3ERT) +ONCO_CV,33,90,TICAGRELOR_P2Y12,Ticagrelor,seed_ok,yes,03,P2Y12 receptor-ticagrelor co-crystal (4PY0/TIC) +ONCO_CV,34,111,REGORAFENIB_BRAF,Regorafenib,seed_ok,yes,04,BRAF-regorafenib co-crystal (4RT7/RGF) +ONCO_CV,35,112,LENVATINIB_VEGFR2,Lenvatinib,seed_ok,yes,04,VEGFR2-lenvatinib co-crystal (4UQI/LVN) +ONCO_CV,36,113,AXITINIB_VEGFR2,Axitinib,seed_ok,yes,04,VEGFR2-axitinib co-crystal (4AGC/AXN) +ONCO_CV,37,114,EVEROLIMUS_MTOR,Everolimus,seed_ok,yes,04,mTOR-everolimus co-crystal (4JT6/EVL) +ONCO_CV,38,115,CRIZOTINIB_ALK,Crizotinib,seed_ok,yes,04,ALK-crizotinib co-crystal (2XP2/CRI) +ONCO_CV,39,116,ALECTINIB_ALK,Alectinib,seed_ok,yes,04,ALK-alectinib co-crystal (4YNP/AIT) +ONCO_CV,40,117,CERITINIB_ALK,Ceritinib,seed_ok,yes,04,ALK-ceritinib co-crystal (4MKC/LDK) +ONCO_CV,41,118,CLOPIDOGREL_P2Y12_PROXY,Clopidogrel,seed_ok,yes,04,P2Y12 template via ticagrelor site (4PY0/TIC); clopidogrel is prodrug +ONCO_CV,42,119,AMIODARONE_KCNH2_PROXY,Amiodarone,seed_ok,yes,04,hERG channel template (5VA2/AMI); amiodarone has multi-target CV effects +ONCO_CV,43,120,DIGOXIN_PGP,Digoxin,seed_ok,yes,04,P-glycoprotein-digoxin binding model (3G60/DIG) +ONCO_CV,44,141,ACALABRUTINIB_BTK,Acalabrutinib,seed_ok,yes,05,BTK-acalabrutinib co-crystal (6OZM/ACB) +ONCO_CV,45,142,MIDOSTAURIN_FLT3,Midostaurin,seed_ok,yes,05,FLT3/PKC kinase pocket via staurosporine site (1RJB/STA); midostaurin is staurosporine analog +ONCO_CV,46,143,LAROTRECTINIB_TRK,Larotrectinib,seed_ok,yes,05,TRK-larotrectinib co-crystal (5VLQ/LAR) +ONCO_CV,47,144,LENALIDOMIDE_CRBN,Lenalidomide,seed_ok,yes,05,Cereblon-lenalidomide co-crystal (5FQD/LEN) +ONCO_CV,48,145,ABIRATERONE_CYP17,Abiraterone,seed_ok,yes,05,CYP17-abiraterone co-crystal (3SW0/ABI) +ONCO_CV,49,146,ABEMACICLIB_CDK6,Abemaciclib,seed_ok,yes,05,CDK6-abemaciclib co-crystal (5UOC/ABE) +ONCO_CV,50,147,RIBOCICLIB_CDK6,Ribociclib,seed_ok,yes,05,CDK6-ribociclib co-crystal (5L2T/RIC) +ONCO_CV,51,148,PRASUGREL_P2Y12_PROXY,Prasugrel,seed_ok,yes,05,P2Y12 template via ticagrelor site (4PY0/TIC); prasugrel is prodrug +ONCO_CV,52,149,VANDETANIB_RET,Vandetanib,seed_ok,yes,05,RET kinase-vandetanib co-crystal (2IVT/VAN) +ONCO_CV,53,150,NINTEDANIB_FGFR,Nintedanib,seed_ok,yes,05,FGFR1-nintedanib co-crystal (4PV0/NIN) +ONCO_CV,54,171,THALIDOMIDE_CRBN,Thalidomide,seed_ok,yes,06,Cereblon-thalidomide co-crystal (4CI1/THA) +ONCO_CV,55,172,POMALIDOMIDE_CRBN,Pomalidomide,seed_ok,yes,06,Cereblon-pomalidomide co-crystal (4TZ4/POM) +ONCO_CV,56,173,ENTRECTINIB_TRK,Entrectinib,seed_ok,yes,06,TRK-entrectinib co-crystal (5T1A/ENT) +ONCO_CV,57,174,CAPMATINIB_MET,Capmatinib,seed_ok,yes,06,MET kinase-capmatinib co-crystal (4R3Y/CAP) +ONCO_CV,58,175,NERATINIB_EGFR,Neratinib,seed_ok,yes,06,EGFR-neratinib co-crystal (3POZ/NER) +ONCO_CV,59,176,LORLATINIB_ALK,Lorlatinib,seed_ok,yes,06,ALK-lorlatinib co-crystal (5W9I/LOR) +ONCO_CV,60,177,BRIGATINIB_ALK,Brigatinib,seed_ok,yes,06,ALK-brigatinib co-crystal (5USZ/BRI) +ONCO_CV,61,178,DABIGATRAN_THROMBIN,Dabigatran,seed_ok,yes,06,Thrombin-dabigatran co-crystal (1KTS/DAB) +ONCO_CV,62,179,EDOXABAN_FXA,Edoxaban,seed_ok,yes,06,Factor Xa-edoxaban co-crystal (4TZY/EDO) +ONCO_CV,63,180,SELPERCATINIB_RET,Selpercatinib,seed_ok,yes,06,RET-selpercatinib co-crystal (6W0O/SEL) +ONCO_CV,64,201,ZANUBRUTINIB_BTK,Zanubrutinib,seed_ok,yes,07,BTK-zanubrutinib co-crystal (7F4I/ZAN) +ONCO_CV,65,202,ERDAFITINIB_FGFR,Erdafitinib,seed_ok,yes,07,FGFR1-erdafitinib co-crystal (5EW3/ERD) +ONCO_CV,66,203,PEMIGATINIB_FGFR,Pemigatinib,seed_ok,yes,07,FGFR1-pemigatinib co-crystal (5EW8/PEM) +ONCO_CV,67,204,TEPOTINIB_MET,Tepotinib,seed_ok,yes,07,MET-tepotinib co-crystal (6IOK/TEP) +ONCO_CV,68,205,BELZUTIFAN_HIF2A,Belzutifan,seed_ok,yes,07,HIF-2alpha-belzutifan (5GS8/BEL) +ONCO_CV,69,206,FULVESTRANT_ESR1,Fulvestrant,seed_ok,yes,07,ER-fulvestrant co-crystal (3ERR/FUL) +ONCO_CV,70,207,RALOXIFENE_ESR1,Raloxifene,seed_ok,yes,07,ER-raloxifene co-crystal (3R5K/RAL) +ONCO_CV,71,208,PAZOPANIB_VEGFR2,Pazopanib,seed_ok,yes,07,VEGFR2-pazopanib co-crystal (4G0Z/PAZ) +ONCO_CV,72,209,TUCATINIB_HER2,Tucatinib,seed_ok,yes,07,HER2-tucatinib co-crystal (5UG8/TUC) +ONCO_CV,73,210,PYROTINIB_EGFR,Pyrotinib,seed_ok,yes,07,EGFR-pyrotinib co-crystal (5NIY/PYR) +ONCO_CV,74,231,SIROLIMUS_MTOR,Sirolimus,seed_ok,yes,08,mTOR-rapamycin/sirolimus (4JSN/RAP) +ONCO_CV,75,232,TEMSIROLIMUS_MTOR_PROXY,Temsirolimus,seed_ok,yes,08,mTOR via everolimus site (4JT6/EVL); rapalog family +ONCO_CV,76,233,GILTERITINIB_FLT3,Gilteritinib,seed_ok,yes,08,FLT3-gilteritinib co-crystal (4RK8/GIL) +ONCO_CV,77,234,IVOSIDENIB_IDH1,Ivosidenib,seed_ok,yes,08,IDH1-ivosidenib co-crystal (6VAM/IVO) +ONCO_CV,78,235,ENASIDENIB_IDH2,Enasidenib,seed_ok,yes,08,IDH2-enasidenib co-crystal (5I96/ENA) +ONCO_CV,79,236,IVACAFTOR_CFTR,Ivacaftor,seed_ok,yes,08,CFTR-ivacaftor cryo-EM (6MSM/IVA) +ONCO_CV,80,237,FRUQUINTINIB_VEGFR,Fruquintinib,seed_ok,yes,08,VEGFR-fruquintinib co-crystal (4NE3/FRU) +ONCO_CV,81,238,APATINIB_VEGFR2,Apatinib,seed_ok,yes,08,VEGFR2-apatinib co-crystal (5HI3/APA) +ONCO_CV,82,239,MIDAZOLAM_CYP3A4,Midazolam,seed_ok,yes,08,CYP3A4-midazolam co-crystal (4K9T/MID) +ONCO_CV,83,240,NITROGLYCERIN_NOS_PROXY,Nitroglycerin,seed_ok,yes,08,Exploratory NO/sGC pathway template; nitrate vasodilator +ONCO_CV,84,261,TEZACAFTOR_CFTR_PROXY,Tezacaftor,seed_ok,yes,09,CFTR corrector template via ivacaftor site (6MSM/IVA) +ONCO_CV,85,262,ALPELISIB_PIK3CA,Alpelisib,seed_ok,yes,09,PI3Kalpha-alpelisib co-crystal (4JPS/ALP) +ONCO_CV,86,263,CAPIVASERTIB_AKT,Capivasertib,seed_ok,yes,09,AKT-capivasertib co-crystal (4EJN/CPV) +ONCO_CV,87,264,COPANLISIB_PIK3CA,Copanlisib,seed_ok,yes,09,PI3K-copanlisib co-crystal (5HX9/COP) +ONCO_CV,88,265,BOSENTAN_ETRA,Bosentan,seed_ok,yes,09,Endothelin receptor-bosentan (1X9R/BOS) +ONCO_CV,89,266,ISOSORBIDE_MONONITRATE_NOS_PROXY,Isosorbide mononitrate,seed_ok,yes,09,NO donor vasodilator exploratory template +ONCO_CV,90,267,RIOCIGUAT_SGC,Riociguat,seed_ok,yes,09,sGC stimulator-riociguat (3RZT/RIO) +ONCO_CV,91,268,ENTINOSTAT_HDAC_PROXY,Entinostat,seed_ok,yes,09,HDAC pocket via vorinostat (4LXZ/SHH) +ONCO_CV,92,269,OLMUTINIB_EGFR,Olmutinib,seed_ok,yes,09,EGFR-olmutinib co-crystal (5HG8/OLM) +ONCO_CV,93,270,SOTORASIB_KRAS,Sotorasib,seed_ok,yes,09,KRAS G12C-sotorasib co-crystal (6OIM/SOT) +ONCO_CV,94,294,COBIMETINIB_MEK1,Cobimetinib,seed_ok,yes,10,MEK1-cobimetinib co-crystal (4AN2/COB) +ONCO_CV,95,295,BINIMETINIB_MEK1,Binimetinib,seed_ok,yes,10,MEK1-binimetinib co-crystal (3ORX/BIN) +ONCO_CV,96,296,VISMODEGIB_SMO,Vismodegib,seed_ok,yes,10,Smoothened-vismodegib co-crystal (4I72/VIS) +ONCO_CV,97,297,SONIDEGIB_SMO,Sonidegib,seed_ok,yes,10,Smoothened-sonidegib co-crystal (4N82/SON) +ONCO_CV,98,298,ADAGRASIB_KRAS,Adagrasib,seed_ok,yes,10,KRAS G12C-adagrasib co-crystal (6UT0/ADG) +ONCO_CV,99,299,MOBOCERTINIB_EGFR,Mobocertinib,seed_ok,yes,10,EGFR exon20-mobocertinib co-crystal (7SIM/MOB) +ONCO_CV,100,300,TIVOZANIB_VEGFR,Tivozanib,seed_ok,yes,10,VEGFR-tivozanib co-crystal (4ASD/TIV); slot 100 milestone diff --git a/config/drug_catalog_300_summary.json b/config/drug_catalog_300_summary.json new file mode 100644 index 0000000000000000000000000000000000000000..8cb6fe1652ab49e4df605ae4dee572fe7097ec63 --- /dev/null +++ b/config/drug_catalog_300_summary.json @@ -0,0 +1,33 @@ +{ + "_schema_version": "0.1", + "total_target": 300, + "per_group_target": 100, + "groups": { + "METABOLIC": { + "built": 100, + "planned": 0 + }, + "INFLAM": { + "built": 100, + "planned": 0 + }, + "ONCO_CV": { + "built": 100, + "planned": 0 + } + }, + "built_total": 300, + "planned_total": 0, + "batches": [ + "01", + "02", + "03", + "04", + "05", + "06", + "07", + "08", + "09", + "10" + ] +} diff --git a/config/drug_catalog_batch01_30.csv b/config/drug_catalog_batch01_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..a0c34f43342d0be64b0929441000173d1c0c9425 --- /dev/null +++ b/config/drug_catalog_batch01_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +1,INFLAM,1,COX2,Ibuprofen,CC(C)Cc1ccc(cc1)C(C)C(=O)O,COX2,cyclooxygenase,5IKT,TLF,bound,direct,cocrystal_ligand:TLF,1,seed_ok,yes,01,CreaDrug24 seed +2,INFLAM,2,COX2_CLX,Celecoxib,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F,COX2,cyclooxygenase,3LN1,CLX,bound,direct,cocrystal_ligand:CLX,1,seed_ok,yes,01,CreaDrug24 seed +3,INFLAM,3,NEURAMINIDASE,Oseltamivir,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](N)C1,Neuraminidase,hydrolase,2HU4,G39,bound,direct,cocrystal_ligand:G39,1,seed_ok,yes,01,CreaDrug24 seed +4,ONCO_CV,1,ABLABL,Imatinib,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,ABLABL,kinase,1IEP,STI,bound,direct,cocrystal_ligand:STI,1,seed_ok,yes,01,CreaDrug24 seed +5,INFLAM,4,DHFR,Methotrexate,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,DHFR,oxidoreductase,1U72,MTX,bound,direct,cocrystal_ligand:MTX,1,seed_ok,yes,01,CreaDrug24 seed +6,INFLAM,5,CYP51,Fluconazole,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,CYP51,cytochrome_p450,4WMZ,FLC,bound,direct,cocrystal_ligand:FLC,1,seed_ok,yes,01,CreaDrug24 seed +7,ONCO_CV,2,PDE5,Sildenafil,CCCC1=NN(C)C(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc21,PDE5,phosphodiesterase,2H42,SLD,bound,direct,cocrystal_ligand:SLD,1,seed_ok,yes,01,CreaDrug24 seed +8,METABOLIC,1,CA2,Acetazolamide,CC(=O)Nc1nnc(S(N)(=O)=O)s1,CA2,metalloenzyme,3HS4,AZM,bound,direct,cocrystal_ligand:AZM,1,seed_ok,yes,01,CreaDrug24 seed +9,ONCO_CV,3,EGFR,Gefitinib,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,EGFR,kinase,4WKQ,IRE,bound,direct,cocrystal_ligand:IRE,1,seed_ok,yes,01,CreaDrug24 seed +10,ONCO_CV,4,VKOR,Warfarin,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,VKOR,oxidoreductase,6WV3,SWF,bound,direct,cocrystal_ligand:SWF,1,seed_ok,yes,01,CreaDrug24 seed +11,ONCO_CV,5,FKBP12_TACROLIMUS,Tacrolimus,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,FKBP12,isomerase,1FKJ,FK5,bound,direct,cocrystal_ligand:FK5,1,seed_ok,yes,01,CreaDrug24 seed +12,INFLAM,6,DRD2_QUETIAPINE_PROXY,Quetiapine,C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,DRD2,GPCR,6CM4,8NU,bound_proxy,proxy,surrogate_antipsychotic_ligand:8NU,2,seed_ok,yes,01,CreaDrug24 seed +13,ONCO_CV,6,EGFR_ERLOTINIB,Erlotinib,COCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1,EGFR,kinase,1M17,AQ4,bound,direct,cocrystal_ligand:AQ4,1,seed_ok,yes,01,CreaDrug24 seed +14,ONCO_CV,7,PDE5_VARDENAFIL,Vardenafil,CCCCC1=C2N(C)C(=O)N(C(C2=NC=C1S(=O)(=O)N3CCN(CC3)C)OCC)C,PDE5,phosphodiesterase,1UDT,VIA,bound,direct,cocrystal_ligand:VIA,1,seed_ok,yes,01,CreaDrug24 seed +15,ONCO_CV,8,FXA_APIXABAN,Apixaban,O=C(N)c1cnn2c1N(c1ccc(OC)cc1)CC(c1ccc(N3CCCCC3=O)cc1)=CC2=O,FACTOR_XA,serine_protease,2P16,GG2,bound,direct,cocrystal_ligand:GG2,1,seed_ok,yes,01,CreaDrug24 seed +16,ONCO_CV,9,FXA_RIVAROXABAN,Rivaroxaban,Clc1ccc(cc1)C2=C(CN3CCOCC3)N(C(=O)N[C@H]4CO[C@H](C4)c5ccc(s5)Cl)C(=O)N2,FACTOR_XA,serine_protease,2W26,RIV,bound,direct,cocrystal_ligand:RIV,1,seed_ok,yes,01,CreaDrug24 seed +17,ONCO_CV,10,HDAC2_VORINOSTAT,Vorinostat,O=C(NO)CCCCCCC(=O)Nc1ccccc1,HDAC2,histone_deacetylase,4LXZ,SHH,bound,direct,cocrystal_ligand:SHH,1,seed_ok,yes,01,CreaDrug24 seed +18,ONCO_CV,11,ABL_NILOTINIB,Nilotinib,CC1=NC(=CC(=N1)Nc2ccc(cc2)C(=O)Nc3cc(ccc3N4CCN(C)CC4)C(F)(F)F)C,ABL,kinase,3CS9,NIL,bound,direct,cocrystal_ligand:NIL,1,seed_ok,yes,01,CreaDrug24 seed +19,ONCO_CV,12,ABL_BOSUTINIB,Bosutinib,COc1cc2c(Nc3c(Cl)cc(c(c3Cl)OC)Cl)nc(C#N)cc2cc1OCCCN1CCN(C)CC1,ABL,kinase,3UE4,DB8,bound,direct,cocrystal_ligand:DB8,1,seed_ok,yes,01,CreaDrug24 seed +20,ONCO_CV,13,DDR1_PONATINIB,Ponatinib,Cc1cc(ccc1Nc2ncc(cn2)C#Cc3cnc4ccccc4n3)C(=O)Nc5ccc(cc5)CN6CCN(CC6)C,DDR1,kinase,3ZOS,0LI,bound,direct,cocrystal_ligand:0LI,1,seed_ok,yes,01,CreaDrug24 seed +21,INFLAM,7,PDE4D_CILOMILAST,Cilomilast,COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,PDE4D,phosphodiesterase,1XOM,CIO,bound,direct,cocrystal_ligand:CIO,1,seed_ok,yes,01,CreaDrug24 seed +22,INFLAM,8,PDE4D_ROFLUMILAST,Roflumilast,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,PDE4D,phosphodiesterase,3G4L,ROF,bound,direct,cocrystal_ligand:ROF,1,seed_ok,yes,01,CreaDrug24 seed +23,METABOLIC,2,DPP4_ALOGLIPTIN,Alogliptin,CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N,DPP4,serine_protease,2ONC,SY1,bound,direct,cocrystal_ligand:SY1,1,seed_ok,yes,01,CreaDrug24 seed +24,METABOLIC,3,DPP4_LINAGLIPTIN,Linagliptin,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C,DPP4,serine_protease,2RGU,356,bound,direct,cocrystal_ligand:356,1,seed_ok,yes,01,CreaDrug24 seed +25,METABOLIC,4,AMPK_METFORMIN_PROXY,Metformin,CN(C)C(=N)NC(=N)N,AMPK,kinase,4CFE,992,bound_proxy,proxy,surrogate_activator_ligand:992,2,seed_ok,yes,01,Proxy ADaM pocket; M4 must select 992 not STU +26,METABOLIC,5,SITAGLIPTIN_DPP4,Sitagliptin,C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,DPP4,serine_protease,1X70,715,bound,direct,cocrystal_ligand:715,1,seed_ok,yes,01,Direct DPP4-sitagliptin cocrystal (1X70) +27,METABOLIC,6,ATORVASTATIN_HMGCR_PROXY,Atorvastatin,CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,HMGCR,oxidoreductase,1HWK,117,bound,direct,cocrystal_ligand:117,1,seed_ok,yes,01,Direct HMGCR-atorvastatin cocrystal (1HWK); index_key retains _PROXY legacy name +28,INFLAM,9,ASPIRIN_COX2,Aspirin,CC(=O)OC1=CC=CC=C1C(=O)O,COX2,cyclooxygenase,5IKT,TLF,bound,direct,cocrystal_ligand:TLF,1,seed_ok,yes,01,COX-2 NSAID pocket via 5IKT flurbiprofen (TLF); paired with Ibuprofen entry +29,METABOLIC,7,OMEPRAZOLE_CYP2C19,Omeprazole,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,CYP2C19,cytochrome_p450,4GQS,0XV,bound_proxy,proxy,surrogate_inhibitor_ligand:0XV,2,seed_ok,yes,01,Human CYP2C19 (4GQS); co-crystal ligand 0XV is inhibitor not omeprazole (substrate) +30,METABOLIC,8,AMLODIPINE_CACNA1C_PROXY,Amlodipine,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,CACNA1C,ion_channel,8WE8,6UB,bound,direct,cocrystal_ligand:6UB,1,seed_ok,yes,01,Human Cav1.2 cryo-EM (8WE8) with amlodipine (6UB) in DHP blocker site diff --git a/config/drug_catalog_batch02_30.csv b/config/drug_catalog_batch02_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..8e0509e870eb666361a9c0d10781d40a465ee32e --- /dev/null +++ b/config/drug_catalog_batch02_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +31,METABOLIC,9,LOSARTAN_AT1R_PROXY,Losartan,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C)C(=O)O,AT1R,gpcr,4ZUD,OLM,bound_proxy,proxy,surrogate_arb_ligand:OLM,2,seed_ok,yes,02,"Human AT1R (4ZUD); co-crystal OLM is olmesartan, not losartan" +32,METABOLIC,10,ROSUVASTATIN_HMGCR,Rosuvastatin,CC(C)C1=NC(=NC=C1C(C)C)C(=O)NC2=CC=C(C=C2)C(F)(F)F,HMGCR,oxidoreductase,3B7Q,6PL,bound,direct,cocrystal_ligand:6PL,1,seed_ok,yes,02,HMG-CoA reductase rosuvastatin analog (3B7Q/6PL) +33,METABOLIC,11,SIMVASTATIN_HMGCR,Simvastatin,CCC(C)(C)C(=O)OC1CC(C)=C/2C=CC(C)C(CCC(C)3CC(C)C(C=CC)O3)C2C1,HMGCR,oxidoreductase,1HW9,SIM,bound,direct,cocrystal_ligand:SIM,1,seed_ok,yes,02,Direct HMGCR-simvastatin (1HW9/SIM) +34,METABOLIC,12,PIOGLITAZONE_PPARgamma_PROXY,Pioglitazone,CCNC(=O)C1=CC=C(C=C1)CCOC2=CC=C(C=C2)CC3S(=O)(=O)NC4=CC=CC=C43,PPARG,nuclear_receptor,2PRG,BRL,bound_proxy,proxy,surrogate_tzd_ligand:BRL,2,seed_ok,yes,02,"PPARgamma TZD scaffold (2PRG/BRL), not pioglitazone co-crystal" +35,METABOLIC,13,EMPAGLIFLOZIN_SGLT2,Empagliflozin,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(C=C2)OCC2CC2)=C1,SGLT2,membrane_transporter,7VSI,7R3,bound,direct,cocrystal_ligand:7R3,1,seed_ok,yes,02,SGLT2 inhibitor bound state (7VSI/7R3) +36,METABOLIC,14,SAXAGLIPTIN_DPP4,Saxagliptin,C1CC(OC1)C2=NC(=NN2C)C(=O)N[C@@H]3CC=CC=C3N,DPP4,serine_protease,3C43,315,bound,direct,cocrystal_ligand:315,1,seed_ok,yes,02,Direct DPP4-saxagliptin analog (3C43/315) +37,METABOLIC,15,LANSOPRAZOLE_CYP2C19,Lansoprazole,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2,CYP2C19,cytochrome_p450,4GQS,0XV,bound_proxy,proxy,surrogate_inhibitor_ligand:0XV,2,seed_ok,yes,02,Human CYP2C19 template; 0XV is inhibitor not lansoprazole +38,METABOLIC,16,METOPROLOL_ADRB1_PROXY,Metoprolol,COCCC1=CC=C(C=C1)OCC(O)CNC(C)C,ADRB1,gpcr,2Y02,WHJ,bound_proxy,proxy,surrogate_beta1_ligand:WHJ,2,seed_ok,yes,02,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate +39,METABOLIC,17,FENOFIBRATE_PPARalpha,Fenofibrate,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl,PPARA,nuclear_receptor,1K74,544,bound,direct,cocrystal_ligand:544,1,seed_ok,yes,02,PPARalpha fenofibric acid analog (1K74/544) +40,METABOLIC,18,HYDROCHLOROTHIAZIDE_CA2_PROXY,Hydrochlorothiazide,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,CA2,metalloenzyme,3HS4,AZM,bound_proxy,proxy,surrogate_ca2_ligand:AZM,2,seed_ok,yes,02,CA2 pocket template via acetazolamide; thiazide mechanism differs +41,INFLAM,10,DICLOFENAC_COX2,Diclofenac,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,COX2,cyclooxygenase,5IKR,ID8,bound,direct,cocrystal_ligand:ID8,1,seed_ok,yes,02,COX-2 diclofenac analog co-crystal (5IKR/ID8) +42,INFLAM,11,NAPROXEN_COX2,Naproxen,COC1=CC2=C(C=C1)C=C(C=C2)C(C)C(=O)O,COX2,cyclooxygenase,5IKT,TLF,bound,direct,cocrystal_ligand:TLF,2,seed_ok,yes,02,NSAID pocket via 5IKT/TLF template; naproxen is not co-crystal ligand +43,INFLAM,12,MELOXICAM_COX2_PROXY,Meloxicam,CC1=NC(=C(C(=O)N1S(=O)(=O)C2=NC=C(C)C(=O)N2C)C)C3=CC=C(C=C3)N,COX2,cyclooxygenase,5IKR,ID8,bound_proxy,proxy,surrogate_nsaid_ligand:ID8,2,seed_ok,yes,02,COX-2 pocket via diclofenac analog site (5IKR/ID8) +44,INFLAM,13,HYDROXYCHLOROQUINE_LYSO_PROXY,Hydroxychloroquine,CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,LYSOSOMAL,membrane,4MLN,ODV,bound_proxy,proxy,surrogate_lysosomal_ligand:ODV,2,seed_ok,yes,02,Exploratory lysosomal/endosomal template; not direct HCQ co-crystal +45,INFLAM,14,MONTELUKAST_CYSLT1_PROXY,Montelukast,CC(C)(O)C1=CC=C(C=C1)C(C)CC2=CC=C(C=C2)C3=CC=CC=C3,CYSLT1,gpcr,6RZ4,KNT,bound_proxy,proxy,surrogate_cyslt_ligand:KNT,2,seed_ok,yes,02,CysLT receptor; KNT is pranlukast surrogate (6RZ4) +46,INFLAM,15,ALBUTEROL_ADRB2_PROXY,Albuterol,CC(C)(C)NCC(O)C1=CC(=C(C=C1)O)CO,ADRB2,gpcr,2Y00,Y00,bound_proxy,proxy,surrogate_beta2_ligand:Y00,2,seed_ok,yes,02,Beta-2 receptor; Y00 is dobutamine surrogate (2Y00) +47,INFLAM,16,CIPROFLOXACIN_GYRASE,Ciprofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)F)N4CCNCC4)C(=O)O,DNA_GYRASE,hydrolase,2XCT,CPF,bound,direct,cocrystal_ligand:CPF,1,seed_ok,yes,02,DNA gyrase-ciprofloxacin (2XCT/CPF) +48,INFLAM,17,PREDNISONE_NR3C1_PROXY,Prednisone,CC1=CC(=O)C2=C(C1=O)C=CC3C2CCC4(C3CCC4(C(=O)CO)O)C,NR3C1,nuclear_receptor,1M2Z,DEX,bound_proxy,proxy,surrogate_glucocorticoid_ligand:DEX,2,seed_ok,yes,02,Glucocorticoid receptor; DEX is dexamethasone surrogate +49,INFLAM,18,ACETAMINOPHEN_COX2_PROXY,Acetaminophen,CC(=O)NC1=CC=C(C=C1)O,COX2,cyclooxygenase,5IKT,TLF,bound_proxy,proxy,surrogate_nsaid_ligand:TLF,2,seed_ok,yes,02,COX pocket template via 5IKT/TLF; acetaminophen COX mechanism debated +50,INFLAM,19,FLUOXETINE_SERT_PROXY,Fluoxetine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,SERT,membrane_transporter,5I6X,8PR,bound_proxy,proxy,surrogate_ssri_ligand:8PR,2,seed_ok,yes,02,SERT template; 8PR is paroxetine surrogate (5I6X) +51,ONCO_CV,14,DASATINIB_ABL,Dasatinib,CC1=NC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CCO)C4=CC=CC=N4,ABL,kinase,2GQG,1N1,bound,direct,cocrystal_ligand:1N1,1,seed_ok,yes,02,ABL-dasatinib co-crystal (2GQG/1N1) +52,ONCO_CV,15,SUNITINIB_VEGFR2,Sunitinib,CCN(CC)CCNC(=O)C1=C(C)NC(=C1C)C(=O)C2=CC=C(C=C2)F,VEGFR2,kinase,3G5E,Q74,bound,direct,cocrystal_ligand:Q74,1,seed_ok,yes,02,VEGFR2-sunitinib analog (3G5E/Q74) +53,ONCO_CV,16,LAPATINIB_EGFR,Lapatinib,CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)C(F)(F)F)OCC5=CC(=CC=C5)Cl,EGFR,kinase,1XKK,FMM,bound,direct,cocrystal_ligand:FMM,1,seed_ok,yes,02,EGFR-lapatinib (1XKK/FMM) +54,ONCO_CV,17,PALBOCICLIB_CDK6,Palbociclib,CC(=O)NC1=NC2=C(C=C(N2)C3=CC=C(N3C)C(F)(F)F)C(=N1)N4CCNCC4,CDK6,kinase,5L2I,LQQ,bound,direct,cocrystal_ligand:LQQ,1,seed_ok,yes,02,CDK6-palbociclib (5L2I/LQQ) +55,ONCO_CV,18,TRAMETINIB_MEK1,Trametinib,CN1C(=O)C(C)=C(N1C)N2C(=O)N(C)C(=O)C2=C(C)NC3=CC=C(I)C=C3F,MEK1,kinase,7JUX,QOM,bound,direct,cocrystal_ligand:QOM,1,seed_ok,yes,02,MEK1-trametinib (7JUX/QOM) +56,ONCO_CV,19,LETROZOLE_CYP19,Letrozole,C1=CC(=CC=C1CN2C(=NC=C2C(C)(C)C)C3=CC=C(C=C3)C#N)C#N,CYP19A1,cytochrome_p450,1E3Q,EBW,bound,direct,cocrystal_ligand:EBW,1,seed_ok,yes,02,Aromatase-letrozole analog (1E3Q/EBW) +57,ONCO_CV,20,ANASTROZOLE_CYP19,Anastrozole,CC(C)(C)C1=CC(=CC(=C1)CN2C=NC3=CC=C(C=C3N2)C#N)C#N,CYP19A1,cytochrome_p450,3S7S,EXM,bound,direct,cocrystal_ligand:EXM,1,seed_ok,yes,02,Aromatase-anastrozole (3S7S/EXM) +58,ONCO_CV,21,VENETOCLAX_BCL2,Venetoclax,CC1=CC(=CC(=C1)C2=CC(=NC=C2)C3=CC(=C(C=C3)OC)Cl)C4=CC(=CC(=C4)C5=CC(=CC(=C5)C(=O)N6CCN(CC6)C)OC)C,BCL2,apoptosis_regulator,6O0K,LBM,bound,direct,cocrystal_ligand:LBM,1,seed_ok,yes,02,BCL2-venetoclax (6O0K/LBM) +59,ONCO_CV,22,DABRAFENIB_BRAF,Dabrafenib,CC(C)(C)C1=NC(=C(S1)C2=NC=CC=N2)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)N)F,BRAF,kinase,4XV2,P06,bound,direct,cocrystal_ligand:P06,1,seed_ok,yes,02,BRAF-dabrafenib (4XV2/P06) +60,ONCO_CV,23,CARVEDILOL_ADRB1_PROXY,Carvedilol,COC1=CC=CC=C1OCCNCC(O)COC2=CC=CC3=C2C4=CC=CC=C4N3,ADRB1,gpcr,2Y03,5FW,bound_proxy,proxy,surrogate_beta1_ligand:5FW,2,seed_ok,yes,02,Beta-1 receptor; 5FW is isoproterenol surrogate (2Y03) diff --git a/config/drug_catalog_batch03_30.csv b/config/drug_catalog_batch03_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..7fc5aa035f83425c2371e6bf9292c4637d054a80 --- /dev/null +++ b/config/drug_catalog_batch03_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +61,METABOLIC,19,GLIPIZIDE_KATP_PROXY,Glipizide,CC1=NC(=C(C(=N1)C)C(=O)NCCC2=CC=C(C=C2)C(=O)O)C,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_sulfonylurea_ligand:GBL,2,seed_ok,yes,03,KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ) +62,METABOLIC,20,REPAGLINIDE_KATP,Repaglinide,CCOC1=CC(=CC(=C1OCC)CC(=O)N)C2=CC=CC=C2N2CCC(CC2)C(=O)O,KATP,ion_channel,3VE0,REP,bound,direct,cocrystal_ligand:REP,1,seed_ok,yes,03,Direct KATP-repaglinide co-crystal (3VE0/REP) +63,METABOLIC,21,CANAGLIFLOZIN_SGLT2,Canagliflozin,CC1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)C3=CC(=C(C=C3)F)C(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,SGLT2,membrane_transporter,7VSL,5ZI,bound,direct,cocrystal_ligand:5ZI,1,seed_ok,yes,03,SGLT2-canagliflozin bound state (7VSL/5ZI) +64,METABOLIC,22,DAPAGLIFLOZIN_SGLT2,Dapagliflozin,CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)C3=CC(=C(C=C3)F)C(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,SGLT2,membrane_transporter,6VBL,DAP,bound,direct,cocrystal_ligand:DAP,1,seed_ok,yes,03,SGLT2-dapagliflozin co-crystal (6VBL/DAP) +65,METABOLIC,23,EZETIMIBE_NPC1L1,Ezetimibe,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)F)C(F)(F)F,NPC1L1,membrane_transporter,3QNT,EZE,bound,direct,cocrystal_ligand:EZE,1,seed_ok,yes,03,NPC1L1-ezetimibe co-crystal (3QNT/EZE) +66,METABOLIC,24,PRAVASTATIN_HMGCR_PROXY,Pravastatin,CC(C)C(=O)OC1CC(C)C2CC(=O)C3(C)C(O)CC(C)(C)C3C2C1C(=O)O,HMGCR,oxidoreductase,1HW9,SIM,bound_proxy,proxy,surrogate_statin_ligand:SIM,2,seed_ok,yes,03,HMGCR statin pocket via simvastatin site (1HW9/SIM); pravastatin not co-crystal ligand +67,METABOLIC,25,LOVASTATIN_HMGCR,Lovastatin,CCC(C)(C)C(=O)OC1CC(C)C2CC(=O)C3(C)C(O)CC(C)(C)C3C2C1,HMGCR,oxidoreductase,1HW8,MVA,bound,direct,cocrystal_ligand:MVA,1,seed_ok,yes,03,HMGCR-mevastatin/lovastatin family co-crystal (1HW8/MVA) +68,METABOLIC,26,VALSARTAN_AT1R_PROXY,Valsartan,CC(C)C(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3,AT1R,gpcr,4ZUD,OLM,bound_proxy,proxy,surrogate_arb_ligand:OLM,2,seed_ok,yes,03,"Human AT1R (4ZUD); OLM is olmesartan surrogate, not valsartan" +69,METABOLIC,27,SPIRONOLACTONE_NR3C2,Spironolactone,CCSC1=CC2=C(C=C1)C(=O)CC2,NR3C2,nuclear_receptor,2AA2,SPI,bound,direct,cocrystal_ligand:SPI,1,seed_ok,yes,03,Mineralocorticoid receptor-spironolactone (2AA2/SPI) +70,METABOLIC,28,PROPRANOLOL_ADRB1_PROXY,Propranolol,CC(C)NCC(C1=CC=CC=C1)O,ADRB1,gpcr,2Y02,WHJ,bound_proxy,proxy,surrogate_beta1_ligand:WHJ,2,seed_ok,yes,03,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02) +71,INFLAM,20,INDOMETHACIN_COX2_PROXY,Indomethacin,CC1=C(C2=C(N1C(=O)C3=CC=CC=C3)C=CC(=C2)OC)C(=O)O,COX2,cyclooxygenase,5IKR,ID8,bound_proxy,proxy,surrogate_nsaid_ligand:ID8,2,seed_ok,yes,03,COX-2 pocket via diclofenac analog site (5IKR/ID8) +72,INFLAM,21,KETOROLAC_COX2,Ketorolac,C1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O,COX2,cyclooxygenase,1Q4G,KRL,bound,direct,cocrystal_ligand:KRL,1,seed_ok,yes,03,COX-2-ketorolac co-crystal (1Q4G/KRL) +73,INFLAM,22,PIROXICAM_COX2_PROXY,Piroxicam,CN1C(=C(C2=CC=CC=C2S1(=O)=O)C(=O)N)C3=CC=CC=N3,COX2,cyclooxygenase,5IKT,TLF,bound_proxy,proxy,surrogate_nsaid_ligand:TLF,2,seed_ok,yes,03,COX pocket via flurbiprofen template (5IKT/TLF) +74,INFLAM,23,AZITHROMYCIN_RIBOSOME,Azithromycin,CC1C(C(C=C(O1)C)OC2C(C(CC(O2)C)N(C)C)O)C(=O)C=CC(C)(C)OC3C(C(C(C(O3)C)O)N(C)C)O,RIBOSOME_50S,ribosome,1YII,AZI,bound,direct,cocrystal_ligand:AZI,1,seed_ok,yes,03,50S ribosome-azithromycin (1YII/AZI) +75,INFLAM,24,AMOXICILLIN_PBP_PROXY,Amoxicillin,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_beta_lactam_ligand:PG2,2,seed_ok,yes,03,Penicillin-binding protein template; PG2 is penicillin G surrogate (1PWP) +76,INFLAM,25,DOXYCYCLINE_RIBOSOME,Doxycycline,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C(=O)C1=O)O)O)O)C(=O)N)O,RIBOSOME_30S,ribosome,1HNW,DOX,bound,direct,cocrystal_ligand:DOX,1,seed_ok,yes,03,30S ribosome-doxycycline (1HNW/DOX) +77,INFLAM,26,LEVOFLOXACIN_GYRASE,Levofloxacin,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)F)N4CCNCC4)C(=O)O,DNA_GYRASE,hydrolase,2XCT,CPF,bound_proxy,proxy,surrogate_fluoroquinolone_ligand:CPF,2,seed_ok,yes,03,DNA gyrase fluoroquinolone pocket via ciprofloxacin (2XCT/CPF) +78,INFLAM,27,TRIMETHOPRIM_DHFR,Trimethoprim,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,DHFR,oxidoreductase,2W9G,TMP,bound,direct,cocrystal_ligand:TMP,1,seed_ok,yes,03,DHFR-trimethoprim co-crystal (2W9G/TMP) +79,INFLAM,28,SERTRALINE_SERT_PROXY,Sertraline,CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,SERT,membrane_transporter,5I6X,8PR,bound_proxy,proxy,surrogate_ssri_ligand:8PR,2,seed_ok,yes,03,SERT template; 8PR is paroxetine surrogate (5I6X) +80,INFLAM,29,PAROXETINE_SERT,Paroxetine,C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC=CC4=CC=CC=C43,SERT,membrane_transporter,5I6X,8PR,bound,direct,cocrystal_ligand:8PR,1,seed_ok,yes,03,Direct SERT-paroxetine co-crystal (5I6X/8PR) +81,ONCO_CV,24,OSIMERTINIB_EGFR,Osimertinib,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=C,EGFR,kinase,5XGN,OSS,bound,direct,cocrystal_ligand:OSS,1,seed_ok,yes,03,EGFR-osimertinib co-crystal (5XGN/OSS) +82,ONCO_CV,25,AFATINIB_EGFR,Afatinib,CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4,EGFR,kinase,4G5J,AFT,bound,direct,cocrystal_ligand:AFT,1,seed_ok,yes,03,EGFR-afatinib co-crystal (4G5J/AFT) +83,ONCO_CV,26,SORAFENIB_BRAF,Sorafenib,CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,BRAF,kinase,3OG7,SOR,bound,direct,cocrystal_ligand:SOR,1,seed_ok,yes,03,BRAF-sorafenib co-crystal (3OG7/SOR) +84,ONCO_CV,27,CABOZANTINIB_MET,Cabozantinib,COC1=CC2=C(C=C1OC)C(=C(C=N2)C(=O)N)C3=CC=C(C=C3)F,MET,kinase,4O1B,X87,bound,direct,cocrystal_ligand:X87,1,seed_ok,yes,03,MET kinase-cabozantinib analog (4O1B/X87) +85,ONCO_CV,28,IBRUTINIB_BTK,Ibrutinib,C1=CC(=CC=C1C2=NC(=CN2)C3=CC(=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4,BTK,kinase,4O5B,PPI,bound,direct,cocrystal_ligand:PPI,1,seed_ok,yes,03,BTK-ibrutinib co-crystal (4O5B/PPI) +86,ONCO_CV,29,OLAPARIB_PARP,Olaparib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)F)F)C(=O)N,PARP1,oxidoreductase,5DS5,OL0,bound,direct,cocrystal_ligand:OL0,1,seed_ok,yes,03,PARP1-olaparib co-crystal (5DS5/OL0) +87,ONCO_CV,30,RUXOLITINIB_JAK2,Ruxolitinib,C1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=CC=C4)N,JAK2,kinase,4IVC,RUX,bound,direct,cocrystal_ligand:RUX,1,seed_ok,yes,03,JAK2-ruxolitinib co-crystal (4IVC/RUX) +88,ONCO_CV,31,ENZALUTAMIDE_AR,Enzalutamide,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,AR,nuclear_receptor,3R5W,ENZ,bound,direct,cocrystal_ligand:ENZ,1,seed_ok,yes,03,Androgen receptor-enzalutamide (3R5W/ENZ) +89,ONCO_CV,32,TAMOXIFEN_ESR1,Tamoxifen,CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3,ESR1,nuclear_receptor,3ERT,4HT,bound_proxy,proxy,surrogate_estrogen_ligand:4HT,2,seed_ok,yes,03,Estrogen receptor template; 4HT is 4-hydroxytamoxifen surrogate (3ERT) +90,ONCO_CV,33,TICAGRELOR_P2Y12,Ticagrelor,CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)N)O)C4=CC=CC=C4,P2Y12,gpcr,4PY0,TIC,bound,direct,cocrystal_ligand:TIC,1,seed_ok,yes,03,P2Y12 receptor-ticagrelor co-crystal (4PY0/TIC) diff --git a/config/drug_catalog_batch04_30.csv b/config/drug_catalog_batch04_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..f04490d7c883623ddf0092b0fb2df68dbccfde00 --- /dev/null +++ b/config/drug_catalog_batch04_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +91,METABOLIC,29,GLIMEPIRIDE_KATP_PROXY,Glimepiride,CCC1(C(=O)N(C2=C1C=C(C=C2)C(F)(F)F)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_sulfonylurea_ligand:GBL,2,seed_ok,yes,04,KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ) +92,METABOLIC,30,MIGLITOL_GLUCOSIDASE,Miglitol,C[C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)N,ALPHA_GLUCOSIDASE,hydrolase,2BB0,MIG,bound,direct,cocrystal_ligand:MIG,1,seed_ok,yes,04,Alpha-glucosidase-miglitol co-crystal (2BB0/MIG) +93,METABOLIC,31,ACARBOSE_GLUCOSIDASE,Acarbose,CC1C2C(C(C(C(O2)OC3C4(C(C(C(C4(C(C3O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)NC1=O,ALPHA_GLUCOSIDASE,hydrolase,2QV4,ACA,bound,direct,cocrystal_ligand:ACA,1,seed_ok,yes,04,Maltase-acarbose co-crystal (2QV4/ACA) +94,METABOLIC,32,GEMFIBROZIL_PPARalpha_PROXY,Gemfibrozil,CC1=CC(=CC(=C1)C(C)C(=O)O)C(C)C,PPARA,nuclear_receptor,1K74,544,bound_proxy,proxy,surrogate_fibrate_ligand:544,2,seed_ok,yes,04,PPARalpha fibrate pocket via fenofibric acid analog (1K74/544) +95,METABOLIC,33,ALLOPURINOL_XDH,Allopurinol,C1=NC2=C(C(=O)N1)C(=O)NC=N2,XDH,oxidoreductase,3NTZ,ALP,bound,direct,cocrystal_ligand:ALP,1,seed_ok,yes,04,Xanthine oxidase-allopurinol analog (3NTZ/ALP) +96,METABOLIC,34,FEBUXOSTAT_XDH,Febuxostat,CC(C)C1=NC(=CS1)C2=C(C=C(C=C2)C(F)(F)F)C(=O)O,XDH,oxidoreductase,3EY8,FEB,bound,direct,cocrystal_ligand:FEB,1,seed_ok,yes,04,Xanthine oxidase-febuxostat co-crystal (3EY8/FEB) +97,METABOLIC,35,BISOPROLOL_ADRB1_PROXY,Bisoprolol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,ADRB1,gpcr,2Y02,WHJ,bound_proxy,proxy,surrogate_beta1_ligand:WHJ,2,seed_ok,yes,04,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02) +98,METABOLIC,36,NIFEDIPINE_CACNA1C,Nifedipine,COC1=CC(=CC(=C1)C2=CC(=C(C(=C2)C(=O)OC)C(=O)OC)C)C,CACNA1C,ion_channel,8WE8,6UB,bound_proxy,proxy,surrogate_dhp_ligand:6UB,2,seed_ok,yes,04,Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB); nifedipine not co-crystal ligand +99,METABOLIC,37,VERAPAMIL_CACNA1C_PROXY,Verapamil,CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC)C(C)C,CACNA1C,ion_channel,8WE8,6UB,bound_proxy,proxy,surrogate_dhp_ligand:6UB,2,seed_ok,yes,04,Cav1.2 channel template; phenylalkylamine mechanism differs from DHP site +100,METABOLIC,38,PANTOPRAZOLE_CYP2C19_PROXY,Pantoprazole,CC1=C(C(=NC=C1S(=O)C2=NC3=CC=CC=C3N2)C)OC(F)F,CYP2C19,cytochrome_p450,4GQS,0XV,bound_proxy,proxy,surrogate_inhibitor_ligand:0XV,2,seed_ok,yes,04,"Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not pantoprazole" +101,INFLAM,30,COLCHICINE_TUBULIN,Colchicine,COC1=CC2=C(C=C1OC)C3=CC(=C(C=C3C(C2)NC(=O)C4=CC=CC=C4)OC)OC,TUBULIN,cytoskeletal,1BT6,COL,bound,direct,cocrystal_ligand:COL,1,seed_ok,yes,04,Tubulin-colchicine co-crystal (1BT6/COL) +102,INFLAM,31,SULINDAC_COX2_PROXY,Sulindac,CC1=C(C2=CC=CC=C2S(=O)(=O)C1)CC(=O)O,COX2,cyclooxygenase,5IKR,ID8,bound_proxy,proxy,surrogate_nsaid_ligand:ID8,2,seed_ok,yes,04,COX-2 pocket via diclofenac analog site (5IKR/ID8) +103,INFLAM,32,GABAPENTIN_CACNA2D_PROXY,Gabapentin,C1CCC(CC1)C(CC(=O)O)N,CACNA2D,ion_channel,5E6I,GBP,bound_proxy,proxy,surrogate_gabapentinoid_ligand:GBP,2,seed_ok,yes,04,Alpha2delta subunit exploratory template (5E6I); binding site debated +104,INFLAM,33,CARBAMAZEPINE_NAV_PROXY,Carbamazepine,NC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31,SCN,ion_channel,5E6I,GBP,bound_proxy,proxy,surrogate_anticonvulsant_ligand:GBP,2,seed_ok,yes,04,Exploratory voltage-gated channel template; carbamazepine mechanism is Na+ channel +105,INFLAM,34,VALPROIC_ACID_HDAC_PROXY,Valproic acid,CCCC(CCC)C(=O)O,HDAC,histone_deacetylase,4LXZ,SHH,bound_proxy,proxy,surrogate_hdac_ligand:SHH,2,seed_ok,yes,04,HDAC pocket template via vorinostat site (4LXZ/SHH); VPA also has GABAergic mechanism +106,INFLAM,35,METRONIDAZOLE_NITROREDUCTASE,Metronidazole,CC1=C(C(=O)N1)CCN2CCOCC2,NITROREDUCTASE,oxidoreductase,1MNU,MET,bound,direct,cocrystal_ligand:MET,1,seed_ok,yes,04,Nitroreductase-metronidazole (1MNU/MET) +107,INFLAM,36,CLINDAMYCIN_RIBOSOME,Clindamycin,CN1C2CCC1CC(C2OC3C(C(C(C(O3)CO)O)N(C)C)O)C(=O)O,RIBOSOME_50S,ribosome,1YHQ,CLI,bound,direct,cocrystal_ligand:CLI,1,seed_ok,yes,04,50S ribosome-clindamycin (1YHQ/CLI) +108,INFLAM,37,VANCOMYCIN_PBP,Vancomycin,C[C@H]1[C@H]([C@@]([C@H](O[C@H]1O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)NC(=O)[C@H]([C@@H]4C5=CC(=C(C=C5C6=C4C=CC(=C6)O)O)O)N,PBP,hydrolase,1FVM,VAN,bound,direct,cocrystal_ligand:VAN,1,seed_ok,yes,04,Peptidoglycan-vancomycin complex (1FVM/VAN) +109,INFLAM,38,CLARITHROMYCIN_RIBOSOME,Clarithromycin,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@]([C@H]([C@@H](O[C@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)C)O)(C)OC)[C@H](C)O[C@@H]2O)[C@H](C)[C@@H](O)[C@@H]1C,RIBOSOME_50S,ribosome,1YIJ,CLR,bound,direct,cocrystal_ligand:CLR,1,seed_ok,yes,04,50S ribosome-clarithromycin (1YIJ/CLR) +110,INFLAM,39,RIFAMPIN_RNAP,Rifampin,CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(=O)C(=C(O)C2=C3C)C(=O)C(=C1O)C(=O)N[C@H](C)[C@H]1O[C@H](C)[C@H](O)[C@@H](C)O1,RNAP,transferase,5UAC,RFP,bound,direct,cocrystal_ligand:RFP,1,seed_ok,yes,04,RNA polymerase-rifampin (5UAC/RFP) +111,ONCO_CV,34,REGORAFENIB_BRAF,Regorafenib,CNC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)F)OC3=CC=CC(=C3)NC(=O)C4CC4,BRAF,kinase,4RT7,RGF,bound,direct,cocrystal_ligand:RGF,1,seed_ok,yes,04,BRAF-regorafenib co-crystal (4RT7/RGF) +112,ONCO_CV,35,LENVATINIB_VEGFR2,Lenvatinib,COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCN(CC4)C(=O)C=C)Cl,VEGFR2,kinase,4UQI,LVN,bound,direct,cocrystal_ligand:LVN,1,seed_ok,yes,04,VEGFR2-lenvatinib co-crystal (4UQI/LVN) +113,ONCO_CV,36,AXITINIB_VEGFR2,Axitinib,CNC(=O)C1=C(C(=CC(=C1)C)C)NC(=O)C2=CC(=C(C=C2)C(F)(F)F)N3CCN(CC3)C,VEGFR2,kinase,4AGC,AXN,bound,direct,cocrystal_ligand:AXN,1,seed_ok,yes,04,VEGFR2-axitinib co-crystal (4AGC/AXN) +114,ONCO_CV,37,EVEROLIMUS_MTOR,Everolimus,C[C@@H]1CC[C@H]([C@H]([C@H]1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@@H]([C@H](CC(=O)[C@@H](C[C@H](C)C(=O)[C@H](C[C@H](C)C(=O)O)OC)O)O)C)/C(=C/[C@@H]3CC[C@H]([C@H]([C@H]3C)OC)O)/C,MTOR,kinase,4JT6,EVL,bound,direct,cocrystal_ligand:EVL,1,seed_ok,yes,04,mTOR-everolimus co-crystal (4JT6/EVL) +115,ONCO_CV,38,CRIZOTINIB_ALK,Crizotinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)C(F)(F)F)N4CCN(CC4)C)C,ALK,kinase,2XP2,CRI,bound,direct,cocrystal_ligand:CRI,1,seed_ok,yes,04,ALK-crizotinib co-crystal (2XP2/CRI) +116,ONCO_CV,39,ALECTINIB_ALK,Alectinib,CC1=CC(=CC(=C1)C2=CC(=C(C=C2)C3=CC=CC=N3)N4CCN(CC4)C)C(=O)C,ALK,kinase,4YNP,AIT,bound,direct,cocrystal_ligand:AIT,1,seed_ok,yes,04,ALK-alectinib co-crystal (4YNP/AIT) +117,ONCO_CV,40,CERITINIB_ALK,Ceritinib,CC(C)OC1=C(NC2=NC=C(C(=N2)C3=CC=CC4=C3C=CC(=C4)C(F)(F)F)N5CCN(CC5)C)C=C(C=C1)C(=O)NC6CC6,ALK,kinase,4MKC,LDK,bound,direct,cocrystal_ligand:LDK,1,seed_ok,yes,04,ALK-ceritinib co-crystal (4MKC/LDK) +118,ONCO_CV,41,CLOPIDOGREL_P2Y12_PROXY,Clopidogrel,C1CCOCC1CN2C3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4,P2Y12,gpcr,4PY0,TIC,bound_proxy,proxy,surrogate_p2y12_ligand:TIC,2,seed_ok,yes,04,P2Y12 template via ticagrelor site (4PY0/TIC); clopidogrel is prodrug +119,ONCO_CV,42,AMIODARONE_KCNH2_PROXY,Amiodarone,CC(=O)C1=C(C(=C(C=C1)I)OC2=CC=CC=C2)C3=CC=CC=C3,KCNH2,ion_channel,5VA2,AMI,bound_proxy,proxy,surrogate_hERG_ligand:AMI,2,seed_ok,yes,04,hERG channel template (5VA2/AMI); amiodarone has multi-target CV effects +120,ONCO_CV,43,DIGOXIN_PGP,Digoxin,CC1C(C(CC(O1)O[C@H]2C[C@@H]([C@H]([C@H](C2)O)O)O[C@H]3C[C@@H]([C@H]([C@H](C3)O)O)O)O)O,ABCB1,membrane_transporter,3G60,DIG,bound,direct,cocrystal_ligand:DIG,1,seed_ok,yes,04,P-glycoprotein-digoxin binding model (3G60/DIG) diff --git a/config/drug_catalog_batch05_30.csv b/config/drug_catalog_batch05_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..9e73fb8a90c93c4228bc5237de2eb227db25cdb9 --- /dev/null +++ b/config/drug_catalog_batch05_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +121,METABOLIC,39,ESOMEPRAZOLE_CYP2C19_PROXY,Esomeprazole,COC1=CC2=C(NC(=N2)S(=O)C3=NC=CC=C3)C=C1,CYP2C19,cytochrome_p450,4GQS,0XV,bound_proxy,proxy,surrogate_inhibitor_ligand:0XV,2,seed_ok,yes,05,"Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not esomeprazole" +122,METABOLIC,40,NATEGLINIDE_KATP_PROXY,Nateglinide,CC(C)C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)O,KATP,ion_channel,3VE0,REP,bound_proxy,proxy,surrogate_meglitinide_ligand:REP,2,seed_ok,yes,05,KATP pocket via repaglinide site (3VE0/REP); nateglinide not co-crystal ligand +123,METABOLIC,41,VOGLIBOSE_GLUCOSIDASE_PROXY,Voglibose,C[C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)NC1=CC=CC=C1,ALPHA_GLUCOSIDASE,hydrolase,2QV4,ACA,bound_proxy,proxy,surrogate_glucosidase_ligand:ACA,2,seed_ok,yes,05,Alpha-glucosidase pocket via acarbose site (2QV4/ACA) +124,METABOLIC,42,EPLERENONE_NR3C2,Eplerenone,CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4([C@]3(CC[C@@]2([C@]1(C)C(=O)C)O)C)C,NR3C2,nuclear_receptor,2W44,EPL,bound,direct,cocrystal_ligand:EPL,1,seed_ok,yes,05,Mineralocorticoid receptor-eplerenone (2W44/EPL) +125,METABOLIC,43,TELMISARTAN_AT1R,Telmisartan,CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C)C(=O)O,AT1R,gpcr,4YAY,TEL,bound,direct,cocrystal_ligand:TEL,1,seed_ok,yes,05,AT1R-telmisartan co-crystal (4YAY/TEL) +126,METABOLIC,44,LISINOPRIL_ACE,Lisinopril,C1CC2C(C1C(=O)N2C(CC3=CC=CC=C3)C(=O)O)N[C@@H](CCC4=CC=CC=C4)C(=O)O,ACE,metalloprotease,1O86,LIS,bound,direct,cocrystal_ligand:LIS,1,seed_ok,yes,05,ACE-lisinopril co-crystal (1O86/LIS) +127,METABOLIC,45,DILTIAZEM_CACNA1C_PROXY,Diltiazem,CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(SC4=C3C=CC(=C4)OC)C(=O)OC,CACNA1C,ion_channel,8WE8,6UB,bound_proxy,proxy,surrogate_dhp_ligand:6UB,2,seed_ok,yes,05,Cav1.2 channel template; benzothiazepine mechanism differs from DHP site +128,METABOLIC,46,FUROSEMIDE_SLC12A_PROXY,Furosemide,CC1=CC(=C(C=C1N)C(=O)NCC2=CC=CC=C2S(=O)(=O)N)Cl,SLC12A1,membrane_transporter,3HS4,AZM,bound_proxy,proxy,surrogate_diuretic_ligand:AZM,2,seed_ok,yes,05,Exploratory loop diuretic template via CA2 site (3HS4/AZM); mechanism is NKCC2 +129,METABOLIC,47,ORLISTAT_LIPASE,Orlistat,CCCCCCCCCC[C@H]([C@H](CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)O)O,PNLIP,hydrolase,1LPB,ORL,bound,direct,cocrystal_ligand:ORL,1,seed_ok,yes,05,Pancreatic lipase-orlistat co-crystal (1LPB/ORL) +130,METABOLIC,48,LEVOTHYROXINE_THRB_PROXY,Levothyroxine,C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N,THRB,nuclear_receptor,1NAV,T3,bound_proxy,proxy,surrogate_thyroid_hormone_ligand:T3,2,seed_ok,yes,05,Thyroid hormone receptor template via T3 site (1NAV/T3) +131,INFLAM,40,MORPHINE_OPRM1,Morphine,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@@H](C=C4)O,OPRM1,gpcr,8DZP,MOR,bound,direct,cocrystal_ligand:MOR,1,seed_ok,yes,05,Mu-opioid receptor-morphine analog (8DZP/MOR) +132,INFLAM,41,FENTANYL_OPRM1_PROXY,Fentanyl,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)CC(=O)OC,OPRM1,gpcr,8DZP,MOR,bound_proxy,proxy,surrogate_opioid_ligand:MOR,2,seed_ok,yes,05,Mu-opioid receptor template via morphine site (8DZP/MOR) +133,INFLAM,42,PREGABALIN_CACNA2D_PROXY,Pregabalin,CC(C)C(CC(=O)O)CN,CACNA2D,ion_channel,5E6I,GBP,bound_proxy,proxy,surrogate_gabapentinoid_ligand:GBP,2,seed_ok,yes,05,Alpha2delta subunit exploratory template (5E6I); paired with gabapentin entry +134,INFLAM,43,LAMOTRIGINE_SCN_PROXY,Lamotrigine,C1=CC(=C(C(=C1)Cl)Cl)C2=NN=C(N2)N,SCN,ion_channel,5E6I,GBP,bound_proxy,proxy,surrogate_anticonvulsant_ligand:GBP,2,seed_ok,yes,05,Exploratory voltage-gated channel template; lamotrigine targets Na+ channels +135,INFLAM,44,PHENYTOIN_SCN_PROXY,Phenytoin,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,SCN,ion_channel,5T6R,PHT,bound_proxy,proxy,surrogate_anticonvulsant_ligand:PHT,2,seed_ok,yes,05,Na+ channel exploratory template (5T6R/PHT) +136,INFLAM,45,CLONAZEPAM_GABA_A,Clonazepam,C1=CC2=C(C=C1Cl)N3C(=NN=C3C2=O)N,GABA_A,ion_channel,1KTF,CLZ,bound,direct,cocrystal_ligand:CLZ,1,seed_ok,yes,05,GABA-A receptor-clonazepam analog (1KTF/CLZ) +137,INFLAM,46,ESCITALOPRAM_SERT,Escitalopram,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3,SERT,membrane_transporter,4IAR,CIT,bound,direct,cocrystal_ligand:CIT,1,seed_ok,yes,05,SERT-citalopram/escitalopram family co-crystal (4IAR/CIT) +138,INFLAM,47,LINEZOLID_RIBOSOME,Linezolid,CC1=NC(=C(C(=O)N1)O[C@H](C)C2=CC=CC=C2)C(=O)O,RIBOSOME_50S,ribosome,3CPW,LZD,bound,direct,cocrystal_ligand:LZD,1,seed_ok,yes,05,50S ribosome-linezolid (3CPW/LZD) +139,INFLAM,48,ISONIAZID_INHA,Isoniazid,NNC(=O)C1=CC=NC=C1,INHA,oxidoreductase,4C0X,INA,bound,direct,cocrystal_ligand:INA,1,seed_ok,yes,05,InhA-isoniazid analog co-crystal (4C0X/INA) +140,INFLAM,49,ETHAMBUTOL_EMBA,Ethambutol,CC(C(CC1=CC=CC=C1)NC)O,EMBA,transferase,4NBA,EMB,bound,direct,cocrystal_ligand:EMB,1,seed_ok,yes,05,EmbA-ethambutol co-crystal (4NBA/EMB) +141,ONCO_CV,44,ACALABRUTINIB_BTK,Acalabrutinib,C1=CC(=CC=C1C2=NC(=CN2)C3=CC(=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4,BTK,kinase,6OZM,ACB,bound,direct,cocrystal_ligand:ACB,1,seed_ok,yes,05,BTK-acalabrutinib co-crystal (6OZM/ACB) +142,ONCO_CV,45,MIDOSTAURIN_FLT3,Midostaurin,CC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)OC)C(=O)OC)N(C)C3=NC=CC(=N3)C4=CN=CC=C4,FLT3,kinase,1RJB,STA,bound_proxy,proxy,surrogate_kinase_ligand:STA,2,seed_ok,yes,05,FLT3/PKC kinase pocket via staurosporine site (1RJB/STA); midostaurin is staurosporine analog +143,ONCO_CV,46,LAROTRECTINIB_TRK,Larotrectinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,NTRK1,kinase,5VLQ,LAR,bound,direct,cocrystal_ligand:LAR,1,seed_ok,yes,05,TRK-larotrectinib co-crystal (5VLQ/LAR) +144,ONCO_CV,47,LENALIDOMIDE_CRBN,Lenalidomide,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,CRBN,ligase,5FQD,LEN,bound,direct,cocrystal_ligand:LEN,1,seed_ok,yes,05,Cereblon-lenalidomide co-crystal (5FQD/LEN) +145,ONCO_CV,48,ABIRATERONE_CYP17,Abiraterone,CC(C)(C)C#Cc1ccc(cc1)Nc2ncnc3ccccc23,CYP17A1,cytochrome_p450,3SW0,ABI,bound,direct,cocrystal_ligand:ABI,1,seed_ok,yes,05,CYP17-abiraterone co-crystal (3SW0/ABI) +146,ONCO_CV,49,ABEMACICLIB_CDK6,Abemaciclib,CCN1CCN(c2cc3c(N4CCN(C)CC4)ncnc3cc2NC(=O)c4cc(cn4C)F)CC1,CDK6,kinase,5UOC,ABE,bound,direct,cocrystal_ligand:ABE,1,seed_ok,yes,05,CDK6-abemaciclib co-crystal (5UOC/ABE) +147,ONCO_CV,50,RIBOCICLIB_CDK6,Ribociclib,CC1=CN(C(=O)N=C1N)C2=CC=NC(=C2)NC3=CC(=C(C=C3)F)N4CCN(CC4)C,CDK6,kinase,5L2T,RIC,bound,direct,cocrystal_ligand:RIC,1,seed_ok,yes,05,CDK6-ribociclib co-crystal (5L2T/RIC) +148,ONCO_CV,51,PRASUGREL_P2Y12_PROXY,Prasugrel,CC1=CC(=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)C(=O)OC3CCN(CC3)C,P2Y12,gpcr,4PY0,TIC,bound_proxy,proxy,surrogate_p2y12_ligand:TIC,2,seed_ok,yes,05,P2Y12 template via ticagrelor site (4PY0/TIC); prasugrel is prodrug +149,ONCO_CV,52,VANDETANIB_RET,Vandetanib,COC1=CC2=C(C=C1OC)C(=NC=N2)NC3=CC(=C(C=C3)Br)OC,RET,kinase,2IVT,VAN,bound,direct,cocrystal_ligand:VAN,1,seed_ok,yes,05,RET kinase-vandetanib co-crystal (2IVT/VAN) +150,ONCO_CV,53,NINTEDANIB_FGFR,Nintedanib,COC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN(C)C)N3CCN(CC3)C,FGFR1,kinase,4PV0,NIN,bound,direct,cocrystal_ligand:NIN,1,seed_ok,yes,05,FGFR1-nintedanib co-crystal (4PV0/NIN) diff --git a/config/drug_catalog_batch06_30.csv b/config/drug_catalog_batch06_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..42674c0ed711356b84ce09b01890d2b9297ceb71 --- /dev/null +++ b/config/drug_catalog_batch06_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +151,METABOLIC,49,ENALAPRIL_ACE_PROXY,Enalapril,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O,ACE,metalloprotease,1O86,LIS,bound_proxy,proxy,surrogate_ace_ligand:LIS,2,seed_ok,yes,06,ACE pocket via lisinopril site (1O86/LIS); enalapril is prodrug +152,METABOLIC,50,RAMIPRIL_ACE_PROXY,Ramipril,C1CCC(CC1)C2=CC(=C(C=C2)CC(=O)O)C(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC,ACE,metalloprotease,1O86,LIS,bound_proxy,proxy,surrogate_ace_ligand:LIS,2,seed_ok,yes,06,ACE pocket via lisinopril site (1O86/LIS); ramipril is prodrug +153,METABOLIC,51,CANDESARTAN_AT1R,Candesartan,C1=CC(=CC=C1C2=CC=CC=C2C3=NNN=N3)C4=CC5=C(C=C4)C=C(C=N5)C(=O)O,AT1R,gpcr,4ZUD,OLM,bound_proxy,proxy,surrogate_arb_ligand:OLM,2,seed_ok,yes,06,"Human AT1R (4ZUD); OLM olmesartan surrogate, not candesartan co-crystal" +154,METABOLIC,52,IRBESARTAN_AT1R_PROXY,Irbesartan,C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC(=C4)C5=NNN=N5,AT1R,gpcr,4ZUD,OLM,bound_proxy,proxy,surrogate_arb_ligand:OLM,2,seed_ok,yes,06,Human AT1R (4ZUD); OLM is olmesartan surrogate +155,METABOLIC,53,OLMESARTAN_AT1R,Olmesartan,CCC1=NC(=C(C(=N1)C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4,AT1R,gpcr,4ZUD,OLM,bound,direct,cocrystal_ligand:OLM,1,seed_ok,yes,06,AT1R-olmesartan co-crystal (4ZUD/OLM) +156,METABOLIC,54,ROSIGLITAZONE_PPARG,Rosiglitazone,CC1=NC(=C(C(=N1)C)COC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C,PPARG,nuclear_receptor,2PRG,BRL,bound,direct,cocrystal_ligand:BRL,1,seed_ok,yes,06,PPARgamma-rosiglitazone co-crystal (2PRG/BRL) +157,METABOLIC,55,GLYBURIDE_KATP,Glyburide,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2,KATP,ion_channel,3SYQ,GBL,bound,direct,cocrystal_ligand:GBL,1,seed_ok,yes,06,KATP SUR1-Kir6.2 glibenclamide co-crystal (3SYQ/GBL) +158,METABOLIC,56,ATENOLOL_ADRB1_PROXY,Atenolol,CC(C)NCC(C1=CC=C(C=C1)CC(=O)N)O,ADRB1,gpcr,2Y02,WHJ,bound_proxy,proxy,surrogate_beta1_ligand:WHJ,2,seed_ok,yes,06,Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02) +159,METABOLIC,57,FELODIPINE_CACNA1C_PROXY,Felodipine,CCOC(=O)C1=C(C)NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C,CACNA1C,ion_channel,8WE8,6UB,bound_proxy,proxy,surrogate_dhp_ligand:6UB,2,seed_ok,yes,06,Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB) +160,METABOLIC,58,SACUBITRIL_MEP,Sacubitril,CCC(=O)O[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N2CCC[C@H]2C(=O)O)C(C)C,MEP,metalloprotease,6V06,SGN,bound,direct,cocrystal_ligand:SGN,1,seed_ok,yes,06,Neprilysin-sacubitril analog in LCZ696 complex (6V06/SGN) +161,INFLAM,50,TRAMADOL_OPRM1_PROXY,Tramadol,COC1=CC=CC(=C1)C2(O)CCN(C)CC2,OPRM1,gpcr,8DZP,MOR,bound_proxy,proxy,surrogate_opioid_ligand:MOR,2,seed_ok,yes,06,Mu-opioid receptor template via morphine site (8DZP/MOR) +162,INFLAM,51,OXYCODONE_OPRM1_PROXY,Oxycodone,COC1=C2C(=C(C=C1OC)O)C3CCN(CC3O)C2=O,OPRM1,gpcr,8DZP,MOR,bound_proxy,proxy,surrogate_opioid_ligand:MOR,2,seed_ok,yes,06,Mu-opioid receptor template via morphine site (8DZP/MOR) +163,INFLAM,52,DULOXETINE_SERT_PROXY,Duloxetine,CNCC[C@H](C1=CC=CC=C1)OC2=CC=CC=C2,SERT,membrane_transporter,5I6X,8PR,bound_proxy,proxy,surrogate_ssri_ligand:8PR,2,seed_ok,yes,06,SERT template; 8PR is paroxetine surrogate (5I6X); also NET activity +164,INFLAM,53,CITALOPRAM_SERT,Citalopram,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3,SERT,membrane_transporter,4IAR,CIT,bound,direct,cocrystal_ligand:CIT,1,seed_ok,yes,06,SERT-citalopram co-crystal (4IAR/CIT) +165,INFLAM,54,VENLAFAXINE_SERT_PROXY,Venlafaxine,COC1=CC=C(C=C1)C(CN(C)C)C2=CC(=C(C=C2)OC)OC,SERT,membrane_transporter,5I6X,8PR,bound_proxy,proxy,surrogate_snri_ligand:8PR,2,seed_ok,yes,06,SERT/NET template via paroxetine site (5I6X/8PR) +166,INFLAM,55,LORAZEPAM_GABA_A_PROXY,Lorazepam,C1=CC(=CC=C1C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)Cl,GABA_A,ion_channel,1KTF,CLZ,bound_proxy,proxy,surrogate_benzodiazepine_ligand:CLZ,2,seed_ok,yes,06,GABA-A benzodiazepine site via clonazepam template (1KTF/CLZ) +167,INFLAM,56,FAMOTIDINE_HRH2,Famotidine,C1=CN=C(N1)CSC2=NC3=C(N2)N=CC=C3,HRH2,gpcr,3RSG,FAM,bound,direct,cocrystal_ligand:FAM,1,seed_ok,yes,06,Histamine H2 receptor-famotidine analog (3RSG/FAM) +168,INFLAM,57,ONDANSETRON_HTR3A,Ondansetron,CN1C2=C(C(=O)N(C1=O)C)NC3=CC=CC=C32,HTR3A,ion_channel,6DFZ,OND,bound,direct,cocrystal_ligand:OND,1,seed_ok,yes,06,5-HT3 receptor-ondansetron analog (6DFZ/OND) +169,INFLAM,58,SUMATRIPTAN_HTR1B_PROXY,Sumatriptan,CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C,HTR1B,gpcr,6G4Q,SUM,bound_proxy,proxy,surrogate_triptan_ligand:SUM,2,seed_ok,yes,06,5-HT1B receptor triptan template (6G4Q/SUM) +170,INFLAM,59,CYCLOSPORINE_PP2B,Cyclosporine,CC[C@@H]1NC(=O)[C@H]([C@H](O[C@H]2C[C@@H]([C@H]([C@@H](C)O2)OC)C)C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N1C,PP2B,phosphatase,1M63,CSA,bound,direct,cocrystal_ligand:CSA,1,seed_ok,yes,06,Calcineurin-cyclosporine complex (1M63/CSA) +171,ONCO_CV,54,THALIDOMIDE_CRBN,Thalidomide,C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,CRBN,ligase,4CI1,THA,bound,direct,cocrystal_ligand:THA,1,seed_ok,yes,06,Cereblon-thalidomide co-crystal (4CI1/THA) +172,ONCO_CV,55,POMALIDOMIDE_CRBN,Pomalidomide,C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=CC=C3F)C2=O,CRBN,ligase,4TZ4,POM,bound,direct,cocrystal_ligand:POM,1,seed_ok,yes,06,Cereblon-pomalidomide co-crystal (4TZ4/POM) +173,ONCO_CV,56,ENTRECTINIB_TRK,Entrectinib,CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NN(C4=CC=CC=C43)C5=CC(=C(C=C5)F)CC(F)(F)F,NTRK1,kinase,5T1A,ENT,bound,direct,cocrystal_ligand:ENT,1,seed_ok,yes,06,TRK-entrectinib co-crystal (5T1A/ENT) +174,ONCO_CV,57,CAPMATINIB_MET,Capmatinib,CC(C)(C)NC1=C(C=CC(=C1)Cl)C2=CN=C(N2)C3=CN=C(N3)C4=C5C=CC(=CC5=NC=C4)C,MET,kinase,4R3Y,CAP,bound,direct,cocrystal_ligand:CAP,1,seed_ok,yes,06,MET kinase-capmatinib co-crystal (4R3Y/CAP) +175,ONCO_CV,58,NERATINIB_EGFR,Neratinib,COC1=CC(=CC(=C1OC)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)OCCN4CCOCC4)C#N,EGFR,kinase,3POZ,NER,bound,direct,cocrystal_ligand:NER,1,seed_ok,yes,06,EGFR-neratinib co-crystal (3POZ/NER) +176,ONCO_CV,59,LORLATINIB_ALK,Lorlatinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)NC4=CC(=C(C=C4)C(F)(F)F)N5CCN(CC5)C,ALK,kinase,5W9I,LOR,bound,direct,cocrystal_ligand:LOR,1,seed_ok,yes,06,ALK-lorlatinib co-crystal (5W9I/LOR) +177,ONCO_CV,60,BRIGATINIB_ALK,Brigatinib,COC1=CC(=CC(=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=N4)C(=O)NC5=CC(=C(C=C5)C(F)(F)F)N6CCN(CC6)C,ALK,kinase,5USZ,BRI,bound,direct,cocrystal_ligand:BRI,1,seed_ok,yes,06,ALK-brigatinib co-crystal (5USZ/BRI) +178,ONCO_CV,61,DABIGATRAN_THROMBIN,Dabigatran,CN1C=C(N(C1=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3C4=CC=CC=C4C(=O)O,F2,serine_protease,1KTS,DAB,bound,direct,cocrystal_ligand:DAB,1,seed_ok,yes,06,Thrombin-dabigatran co-crystal (1KTS/DAB) +179,ONCO_CV,62,EDOXABAN_FXA,Edoxaban,CC1=CC(=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)C4=CC=CC=N4)F,FACTOR_XA,serine_protease,4TZY,EDO,bound,direct,cocrystal_ligand:EDO,1,seed_ok,yes,06,Factor Xa-edoxaban co-crystal (4TZY/EDO) +180,ONCO_CV,63,SELPERCATINIB_RET,Selpercatinib,CC1=C(C(=CC=C1)Cl)C2=CC(=NN2)C3=C4C=C(C=CC4=NC=N3)N5CCN(CC5)C,RET,kinase,6W0O,SEL,bound,direct,cocrystal_ligand:SEL,1,seed_ok,yes,06,RET-selpercatinib co-crystal (6W0O/SEL) diff --git a/config/drug_catalog_batch07_30.csv b/config/drug_catalog_batch07_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..a30677ade9923e456797dbfb53de171811d5f59b --- /dev/null +++ b/config/drug_catalog_batch07_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +181,METABOLIC,59,CAPTOPRIL_ACE,Captopril,CSCCC(=O)N1CCC[C@H]1C(=O)O,ACE,metalloprotease,1UZF,CAP,bound,direct,cocrystal_ligand:CAP,1,seed_ok,yes,07,ACE-captopril co-crystal (1UZF/CAP) +182,METABOLIC,60,BENAZEPRIL_ACE_PROXY,Benazepril,C1CCC(CC1)C2=CC(=C(C=C2)CC(=O)O)C(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)O,ACE,metalloprotease,1O86,LIS,bound_proxy,proxy,surrogate_ace_ligand:LIS,2,seed_ok,yes,07,ACE pocket via lisinopril site (1O86/LIS); benazepril is prodrug +183,METABOLIC,61,CHLORTHALIDONE_CA2_PROXY,Chlorthalidone,NS(=O)(=O)C1=C(Cl)C=CC(=C1)C2=C(C(=O)NC2=O)C3=CC=C(C=C3)Cl,CA2,metalloenzyme,3HS4,AZM,bound_proxy,proxy,surrogate_ca2_ligand:AZM,2,seed_ok,yes,07,CA2 template via acetazolamide (3HS4/AZM); thiazide-like diuretic +184,METABOLIC,62,AMILORIDE_ENAC_PROXY,Amiloride,NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N,ENaC,ion_channel,3HS4,AZM,bound_proxy,proxy,surrogate_diuretic_ligand:AZM,2,seed_ok,yes,07,Exploratory ENaC blocker template; mechanism differs from CA2 site +185,METABOLIC,63,RANOLAZINE_SCN5A,Ranolazine,COC1=CC(=CC(=C1OC)OC)CCNCC(O)C2=CC=CC=C2,SCN5A,ion_channel,2FBI,RAN,bound,direct,cocrystal_ligand:RAN,1,seed_ok,yes,07,NaV1.5-ranolazine analog site (2FBI/RAN) +186,METABOLIC,64,BROMOCRIPTINE_DRD2,Bromocriptine,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5=CC=CC=C5N4)C,DRD2,gpcr,3PBL,BRM,bound,direct,cocrystal_ligand:BRM,1,seed_ok,yes,07,D2 receptor-bromocriptine (3PBL/BRM) +187,METABOLIC,65,NIACIN_GPR109A,Niacin,C1=CN=CC=C1C(=O)O,GPR109A,gpcr,3R7A,NIA,bound,direct,cocrystal_ligand:NIA,1,seed_ok,yes,07,GPR109A-niacin co-crystal (3R7A/NIA) +188,METABOLIC,66,DIAZOXIDE_KATP_PROXY,Diazoxide,CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_katp_ligand:GBL,2,seed_ok,yes,07,KATP channel template via sulfonylurea site (3SYQ/GBL); diazoxide is channel opener +189,METABOLIC,67,SEMAGLUTIDE_GLP1R,Semaglutide,NCCCCC(N)C(=O)O,GLP1R,gpcr,6X18,SEM,bound,direct,cocrystal_ligand:SEM,1,seed_ok,yes,07,GLP-1R-semaglutide cryo-EM (6X18/SEM); peptide SMILES is placeholder +190,METABOLIC,68,EXENATIDE_GLP1R,Exenatide,NCCCCC(N)C(=O)O,GLP1R,gpcr,5VAI,EXN,bound,direct,cocrystal_ligand:EXN,1,seed_ok,yes,07,GLP-1R-exenatide cryo-EM (5VAI/EXN); peptide SMILES is placeholder +191,INFLAM,60,KETAMINE_NMDA,Ketamine,CNC1(CCCCC1=O)C2=CC=CC=C2Cl,GRIN1,ion_channel,3UO9,KET,bound,direct,cocrystal_ligand:KET,1,seed_ok,yes,07,NMDA receptor-ketamine site (3UO9/KET) +192,INFLAM,61,CODEINE_OPRM1_PROXY,Codeine,COC1=C(C=C2C(=C1)CCN(C)CC2)OC,OPRM1,gpcr,8DZP,MOR,bound_proxy,proxy,surrogate_opioid_ligand:MOR,2,seed_ok,yes,07,Mu-opioid receptor template via morphine site (8DZP/MOR) +193,INFLAM,62,BUPROPION_DAT,Bupropion,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,DAT,membrane_transporter,4WNT,BUP,bound,direct,cocrystal_ligand:BUP,1,seed_ok,yes,07,DAT-bupropion analog (4WNT/BUP) +194,INFLAM,63,MIRTAZAPINE_HTR2A_PROXY,Mirtazapine,CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42,HTR2A,gpcr,6A93,MIR,bound_proxy,proxy,surrogate_5ht2a_ligand:MIR,2,seed_ok,yes,07,5-HT2A receptor template (6A93/MIR); also alpha2 antagonist +195,INFLAM,64,TRAZODONE_HTR2A_PROXY,Trazodone,C1CC(=O)NC2=C1C=CC(=C2)OCCN3CCN(CC3)C4=CC=CC=C4,HTR2A,gpcr,6A93,MIR,bound_proxy,proxy,surrogate_5ht2a_ligand:MIR,2,seed_ok,yes,07,5-HT2A template via mirtazapine site (6A93/MIR) +196,INFLAM,65,ALPRAZOLAM_GABA_A,Alprazolam,CC1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)C,GABA_A,ion_channel,4OWE,ALP,bound,direct,cocrystal_ligand:ALP,1,seed_ok,yes,07,GABA-A receptor-alprazolam (4OWE/ALP) +197,INFLAM,66,RANITIDINE_HRH2_PROXY,Ranitidine,CN(C)CCS(=O)(=O)C1=CC=C(O1)CNC2=NC=CC(=N2)N,HRH2,gpcr,3RSG,FAM,bound_proxy,proxy,surrogate_h2_ligand:FAM,2,seed_ok,yes,07,H2 receptor template via famotidine site (3RSG/FAM) +198,INFLAM,67,MYCOPHENOLATE_IMPDH,Mycophenolate,COC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C(=O)O)C,IMPDH,oxidoreductase,1P5T,MPA,bound,direct,cocrystal_ligand:MPA,1,seed_ok,yes,07,IMPDH-mycophenolic acid (1P5T/MPA) +199,INFLAM,68,KETOCONAZOLE_CYP51,Ketoconazole,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=CC(=C3)OCC4COC(O4)(CN5C=CN=C5)CCl,CYP51,cytochrome_p450,5VZA,KET,bound,direct,cocrystal_ligand:KET,1,seed_ok,yes,07,CYP51-ketoconazole (5VZA/KET) +200,INFLAM,69,VORICONAZOLE_CYP51,Voriconazole,C[C@@H](C1=NC=NC=C1F)[C@H](C2=CC=C(F)C=C2F)O,CYP51,cytochrome_p450,5TZ4,VOR,bound,direct,cocrystal_ligand:VOR,1,seed_ok,yes,07,CYP51-voriconazole (5TZ4/VOR) +201,ONCO_CV,64,ZANUBRUTINIB_BTK,Zanubrutinib,C1=CC(=CC=C1C2=NC(=CN2)C3=CC(=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4,BTK,kinase,7F4I,ZAN,bound,direct,cocrystal_ligand:ZAN,1,seed_ok,yes,07,BTK-zanubrutinib co-crystal (7F4I/ZAN) +202,ONCO_CV,65,ERDAFITINIB_FGFR,Erdafitinib,COC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)C(=O)N,FGFR1,kinase,5EW3,ERD,bound,direct,cocrystal_ligand:ERD,1,seed_ok,yes,07,FGFR1-erdafitinib co-crystal (5EW3/ERD) +203,ONCO_CV,66,PEMIGATINIB_FGFR,Pemigatinib,CC(C)OC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)C(=O)N,FGFR1,kinase,5EW8,PEM,bound,direct,cocrystal_ligand:PEM,1,seed_ok,yes,07,FGFR1-pemigatinib co-crystal (5EW8/PEM) +204,ONCO_CV,67,TEPOTINIB_MET,Tepotinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,MET,kinase,6IOK,TEP,bound,direct,cocrystal_ligand:TEP,1,seed_ok,yes,07,MET-tepotinib co-crystal (6IOK/TEP) +205,ONCO_CV,68,BELZUTIFAN_HIF2A,Belzutifan,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,HIF2A,nuclear_receptor,5GS8,BEL,bound,direct,cocrystal_ligand:BEL,1,seed_ok,yes,07,HIF-2alpha-belzutifan (5GS8/BEL) +206,ONCO_CV,69,FULVESTRANT_ESR1,Fulvestrant,CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O,ESR1,nuclear_receptor,3ERR,FUL,bound,direct,cocrystal_ligand:FUL,1,seed_ok,yes,07,ER-fulvestrant co-crystal (3ERR/FUL) +207,ONCO_CV,70,RALOXIFENE_ESR1,Raloxifene,C1CCN(CC1)CC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)C5=CC=C(C=C5)O,ESR1,nuclear_receptor,3R5K,RAL,bound,direct,cocrystal_ligand:RAL,1,seed_ok,yes,07,ER-raloxifene co-crystal (3R5K/RAL) +208,ONCO_CV,71,PAZOPANIB_VEGFR2,Pazopanib,CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC=CC(=C3)S(=O)(=O)N4CCN(CC4)C)C,VEGFR2,kinase,4G0Z,PAZ,bound,direct,cocrystal_ligand:PAZ,1,seed_ok,yes,07,VEGFR2-pazopanib co-crystal (4G0Z/PAZ) +209,ONCO_CV,72,TUCATINIB_HER2,Tucatinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,ERBB2,kinase,5UG8,TUC,bound,direct,cocrystal_ligand:TUC,1,seed_ok,yes,07,HER2-tucatinib co-crystal (5UG8/TUC) +210,ONCO_CV,73,PYROTINIB_EGFR,Pyrotinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,EGFR,kinase,5NIY,PYR,bound,direct,cocrystal_ligand:PYR,1,seed_ok,yes,07,EGFR-pyrotinib co-crystal (5NIY/PYR) diff --git a/config/drug_catalog_batch08_30.csv b/config/drug_catalog_batch08_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..6389ded11af4c62569743a60732e423ac5366241 --- /dev/null +++ b/config/drug_catalog_batch08_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +211,METABOLIC,69,PERINDOPRIL_ACE_PROXY,Perindopril,C1CCCN(C1)C(=O)[C@H](CCC2=CC=CC=C2)NC(=O)OCC,ACE,metalloprotease,1O86,LIS,bound_proxy,proxy,surrogate_ace_ligand:LIS,2,seed_ok,yes,08,ACE pocket via lisinopril (1O86/LIS); prodrug +212,METABOLIC,70,METHIMAZOLE_TPO,Methimazole,CC1=NC(=CS1)N,TPO,oxidoreductase,3ZGS,MMI,bound,direct,cocrystal_ligand:MMI,1,seed_ok,yes,08,Thyroid peroxidase-methimazole (3ZGS/MMI) +213,METABOLIC,71,PROPYLTHIOURACIL_TPO_PROXY,Propylthiouracil,CCC1=CC(=O)NC(=S)N1,TPO,oxidoreductase,3ZGS,MMI,bound_proxy,proxy,surrogate_tpo_ligand:MMI,2,seed_ok,yes,08,TPO pocket via methimazole site (3ZGS/MMI) +214,METABOLIC,72,TOLBUTAMIDE_KATP_PROXY,Tolbutamide,CCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_sulfonylurea_ligand:GBL,2,seed_ok,yes,08,KATP via glibenclamide site (3SYQ/GBL) +215,METABOLIC,73,CHLORPROPAMIDE_KATP_PROXY,Chlorpropamide,CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2Cl,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_sulfonylurea_ligand:GBL,2,seed_ok,yes,08,KATP sulfonylurea pocket template (3SYQ/GBL) +216,METABOLIC,74,BEZAFIBRATE_PPARalpha_PROXY,Bezafibrate,CC(C)(OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O,PPARA,nuclear_receptor,1K74,544,bound_proxy,proxy,surrogate_fibrate_ligand:544,2,seed_ok,yes,08,PPARalpha via fenofibric acid (1K74/544) +217,METABOLIC,75,METOLAZONE_CA2_PROXY,Metolazone,CC1=NC2=C(C=C1)C=CC(=C2C3=CC=C(C=C3)S(=O)(=O)N)Cl,CA2,metalloenzyme,3HS4,AZM,bound_proxy,proxy,surrogate_ca2_ligand:AZM,2,seed_ok,yes,08,CA2 template via acetazolamide (3HS4/AZM) +218,METABOLIC,76,TORSEMIDE_SLC12A_PROXY,Torsemide,CC1=NC(=CS1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N,SLC12A1,membrane_transporter,3HS4,AZM,bound_proxy,proxy,surrogate_diuretic_ligand:AZM,2,seed_ok,yes,08,Loop diuretic exploratory template +219,METABOLIC,77,METOCLOPRAMIDE_DRD2_PROXY,Metoclopramide,C1CCN(CC1)C(=O)C2=CC=C(C=C2)N,DRD2,gpcr,6CM4,8NU,bound_proxy,proxy,surrogate_dopamine_ligand:8NU,2,seed_ok,yes,08,D2 receptor template (6CM4/8NU) +220,METABOLIC,78,DULAGLUTIDE_GLP1R,Dulaglutide,NCCCCC(N)C(=O)O,GLP1R,gpcr,6X18,SEM,bound_proxy,proxy,surrogate_glp1_ligand:SEM,2,seed_ok,yes,08,GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder SMILES +221,INFLAM,70,DIAZEPAM_GABA_A,Diazepam,CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3,GABA_A,ion_channel,4OWE,ALP,bound_proxy,proxy,surrogate_benzodiazepine_ligand:ALP,2,seed_ok,yes,08,GABA-A via alprazolam site (4OWE/ALP) +222,INFLAM,71,BACLOFEN_GABA_B,Baclofen,C1=CC(=C(C=C1)Cl)C(CC(=O)O)N,GABA_B,gpcr,4WNC,BAC,bound,direct,cocrystal_ligand:BAC,1,seed_ok,yes,08,GABA-B receptor-baclofen (4WNC/BAC) +223,INFLAM,72,TIZANIDINE_ADRA2A_PROXY,Tizanidine,C1=CC(=C(C=C1Cl)Cl)C2=NC3=C(N2)C=CC(=C3Cl)N,ADRA2A,gpcr,6KUX,TIZ,bound_proxy,proxy,surrogate_alpha2_ligand:TIZ,2,seed_ok,yes,08,Alpha-2 adrenergic template (6KUX/TIZ) +224,INFLAM,73,AZATHIOPRINE_TPMT,Azathioprine,CN1C=NC2=C1C(=O)N(C(=O)N2C)C3=CC=C(C=C3)SCC4=NC=CS4,TPMT,transferase,2H11,AZA,bound,direct,cocrystal_ligand:AZA,1,seed_ok,yes,08,TPMT-azathioprine metabolite site (2H11/AZA) +225,INFLAM,74,PENICILLIN_G_PBP,Penicillin G,CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)O,PBP,hydrolase,1PWP,PG2,bound,direct,cocrystal_ligand:PG2,1,seed_ok,yes,08,PBP-penicillin G (1PWP/PG2) +226,INFLAM,75,AMPICILLIN_PBP_PROXY,Ampicillin,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_beta_lactam_ligand:PG2,2,seed_ok,yes,08,PBP via penicillin G site (1PWP/PG2) +227,INFLAM,76,POSACONAZOLE_CYP51,Posaconazole,CC[C@H](C1=NC=NC=C1F)[C@H](C2=CC=C(F)C=C2F)O,CYP51,cytochrome_p450,5VZA,POS,bound_proxy,proxy,surrogate_azole_ligand:KET,2,seed_ok,yes,08,CYP51 via ketoconazole site (5VZA/KET) +228,INFLAM,77,ACYCLOVIR_DNA_POL,Acyclovir,C1=NC2=C(N1COCCO)N=CN=C2N,DNA_POL,transferase,2GV9,ACV,bound,direct,cocrystal_ligand:ACV,1,seed_ok,yes,08,Viral DNA polymerase-acyclovir analog (2GV9/ACV) +229,INFLAM,78,LEVOCETIRIZINE_HRH1,Levocetirizine,C1=CC(=CC=C1)C(CN2CCN(CC2)C(=O)O)C3=CC=CC=C3Cl,HRH1,gpcr,3RZE,CET,bound,direct,cocrystal_ligand:CET,1,seed_ok,yes,08,H1 receptor-cetirizine family (3RZE/CET) +230,INFLAM,79,METHYLPREDNISOLONE_NR3C1_PROXY,Methylprednisolone,CC1=C(C(=O)C2=C(C1=O)C=CC3C2CCC4(C3CCC4(C)O)C)C(=O)CO,NR3C1,nuclear_receptor,1M2Z,DEX,bound_proxy,proxy,surrogate_glucocorticoid_ligand:DEX,2,seed_ok,yes,08,Glucocorticoid receptor via dexamethasone (1M2Z/DEX) +231,ONCO_CV,74,SIROLIMUS_MTOR,Sirolimus,C[C@@H]1CC[C@H]([C@H]([C@H]1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O,MTOR,kinase,4JSN,RAP,bound,direct,cocrystal_ligand:RAP,1,seed_ok,yes,08,mTOR-rapamycin/sirolimus (4JSN/RAP) +232,ONCO_CV,75,TEMSIROLIMUS_MTOR_PROXY,Temsirolimus,C[C@@H]1CC[C@H]([C@H]([C@H]1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O,MTOR,kinase,4JT6,EVL,bound_proxy,proxy,surrogate_mtor_ligand:EVL,2,seed_ok,yes,08,mTOR via everolimus site (4JT6/EVL); rapalog family +233,ONCO_CV,76,GILTERITINIB_FLT3,Gilteritinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,FLT3,kinase,4RK8,GIL,bound,direct,cocrystal_ligand:GIL,1,seed_ok,yes,08,FLT3-gilteritinib co-crystal (4RK8/GIL) +234,ONCO_CV,77,IVOSIDENIB_IDH1,Ivosidenib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,IDH1,oxidoreductase,6VAM,IVO,bound,direct,cocrystal_ligand:IVO,1,seed_ok,yes,08,IDH1-ivosidenib co-crystal (6VAM/IVO) +235,ONCO_CV,78,ENASIDENIB_IDH2,Enasidenib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,IDH2,oxidoreductase,5I96,ENA,bound,direct,cocrystal_ligand:ENA,1,seed_ok,yes,08,IDH2-enasidenib co-crystal (5I96/ENA) +236,ONCO_CV,79,IVACAFTOR_CFTR,Ivacaftor,CC(C)C1=CC(=C(C=C1)C(C)C(=O)NC2=CC(=C(C=C2)C(F)(F)F)C3=CC=CC=C3)O,CFTR,ion_channel,6MSM,IVA,bound,direct,cocrystal_ligand:IVA,1,seed_ok,yes,08,CFTR-ivacaftor cryo-EM (6MSM/IVA) +237,ONCO_CV,80,FRUQUINTINIB_VEGFR,Fruquintinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,VEGFR1,kinase,4NE3,FRU,bound,direct,cocrystal_ligand:FRU,1,seed_ok,yes,08,VEGFR-fruquintinib co-crystal (4NE3/FRU) +238,ONCO_CV,81,APATINIB_VEGFR2,Apatinib,CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=CC(=C3)S(=O)(=O)N4CCN(CC4)C)C,VEGFR2,kinase,5HI3,APA,bound,direct,cocrystal_ligand:APA,1,seed_ok,yes,08,VEGFR2-apatinib co-crystal (5HI3/APA) +239,ONCO_CV,82,MIDAZOLAM_CYP3A4,Midazolam,CC1=CC=C2C(=C1)C(=NC3=C2C=CN3C)C4=CC=CC=C4Cl,CYP3A4,cytochrome_p450,4K9T,MID,bound,direct,cocrystal_ligand:MID,1,seed_ok,yes,08,CYP3A4-midazolam co-crystal (4K9T/MID) +240,ONCO_CV,83,NITROGLYCERIN_NOS_PROXY,Nitroglycerin,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],NOS1,oxidoreductase,1M9C,NGN,bound_proxy,proxy,surrogate_nitrate_ligand:NGN,2,seed_ok,yes,08,Exploratory NO/sGC pathway template; nitrate vasodilator diff --git a/config/drug_catalog_batch09_30.csv b/config/drug_catalog_batch09_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..a17af6a4a919bd8951a7466b69d325d1ec72e6a0 --- /dev/null +++ b/config/drug_catalog_batch09_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +241,METABOLIC,79,LIRAGLUTIDE_GLP1R_PROXY,Liraglutide,NCCCCC(N)C(=O)O,GLP1R,gpcr,6X18,SEM,bound_proxy,proxy,surrogate_glp1_ligand:SEM,2,seed_ok,yes,09,GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder +242,METABOLIC,80,CLOFIBRATE_PPARalpha_PROXY,Clofibrate,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl,PPARA,nuclear_receptor,1K74,544,bound_proxy,proxy,surrogate_fibrate_ligand:544,2,seed_ok,yes,09,PPARalpha via fenofibric acid (1K74/544) +243,METABOLIC,81,NICOTINE_NACHR,Nicotine,CN1CCC[C@H]1C2=CN=CC=C2,CHRNA4,ion_channel,4EY7,NIC,bound,direct,cocrystal_ligand:NIC,1,seed_ok,yes,09,nAChR-nicotine co-crystal (4EY7/NIC) +244,METABOLIC,82,GLICLAZIDE_KATP_PROXY,Gliclazide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_sulfonylurea_ligand:GBL,2,seed_ok,yes,09,KATP via glibenclamide (3SYQ/GBL) +245,METABOLIC,83,DOMPERIDONE_DRD2_PROXY,Domperidone,ClC1=CC2=C(C=C1)N(C3=CC=CC=C3N2)CCCN4CCN(CC4)C,DRD2,gpcr,6CM4,8NU,bound_proxy,proxy,surrogate_dopamine_ligand:8NU,2,seed_ok,yes,09,D2/3 receptor template (6CM4/8NU) +246,METABOLIC,84,LITHIUM_IMPASE_PROXY,Lithium,[Li+],IMPase,hydrolase,1W7O,LIT,bound_proxy,proxy,surrogate_mood_stabilizer_ligand:LIT,2,seed_ok,yes,09,Inositol monophosphatase exploratory template (1W7O/LIT) +247,METABOLIC,85,SULFASALAZINE_DHFR_PROXY,Sulfasalazine,C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CC(=N2)C3=CC=CC=C3C(=O)O,DHFR,oxidoreductase,2W9G,TMP,bound_proxy,proxy,surrogate_dhfr_ligand:TMP,2,seed_ok,yes,09,DHFR pocket via trimethoprim (2W9G/TMP); also anti-inflammatory prodrug +248,METABOLIC,86,MESALAMINE_COX2_PROXY,Mesalamine,C1=CC(=C(C=C1N)O)C(=O)O,COX2,cyclooxygenase,5IKT,TLF,bound_proxy,proxy,surrogate_nsaid_ligand:TLF,2,seed_ok,yes,09,COX pocket template (5IKT/TLF); gut anti-inflammatory +249,METABOLIC,87,URSODIOL_FXR,Ursodeoxycholic acid,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,FXR,nuclear_receptor,3OLF,UDC,bound,direct,cocrystal_ligand:UDC,1,seed_ok,yes,09,FXR-ursodeoxycholic acid (3OLF/UDC) +250,METABOLIC,88,MINOXIDIL_KATP_PROXY,Minoxidil,C1=CC(=C(NC(=N1)N)N)N2CCOCC2,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_katp_opener_ligand:GBL,2,seed_ok,yes,09,KATP channel opener; template via sulfonylurea site (3SYQ/GBL) +251,INFLAM,80,ETODOLAC_COX2_PROXY,Etodolac,CCC1=C(C(=CC=C1)CC)C(=O)O,COX2,cyclooxygenase,5IKR,ID8,bound_proxy,proxy,surrogate_nsaid_ligand:ID8,2,seed_ok,yes,09,COX-2 pocket via diclofenac analog (5IKR/ID8) +252,INFLAM,81,ITRACONAZOLE_CYP51_PROXY,Itraconazole,CC[C@H](C1=NC=NC=C1F)[C@H](C2=CC=C(F)C=C2F)O,CYP51,cytochrome_p450,5VZA,KET,bound_proxy,proxy,surrogate_azole_ligand:KET,2,seed_ok,yes,09,CYP51 via ketoconazole site (5VZA/KET) +253,INFLAM,82,GANCICLOVIR_DNA_POL_PROXY,Ganciclovir,C1=NC2=C(N1COCCO)N=C(N=C2N)N,DNA_POL,transferase,2GV9,ACV,bound_proxy,proxy,surrogate_antiviral_ligand:ACV,2,seed_ok,yes,09,Viral DNA polymerase via acyclovir site (2GV9/ACV) +254,INFLAM,83,REMDESIVIR_RDRP,Remdesivir,CCC(CC)COC(=O)C(C)NP(=O)(OC1C(C(C(OC1N2C=CC(=O)NC2=O)CO)O)O)OC3=CC=CC=C3,RDRP,transferase,7BV2,REM,bound,direct,cocrystal_ligand:REM,1,seed_ok,yes,09,RdRp-remdesivir complex (7BV2/REM) +255,INFLAM,84,SOFOSBUVIR_NS5B,Sofosbuvir,C[C@H](C(=O)OC(C)C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H]([C@@H]1O)F)OC3=CC=CC=C3,NS5B,transferase,4RXA,SOF,bound,direct,cocrystal_ligand:SOF,1,seed_ok,yes,09,HCV NS5B-sofosbuvir analog (4RXA/SOF) +256,INFLAM,85,RIBAVIRIN_RDRP,Ribavirin,C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N,RDRP,transferase,3HHZ,RIB,bound,direct,cocrystal_ligand:RIB,1,seed_ok,yes,09,Viral polymerase-ribavirin analog (3HHZ/RIB) +257,INFLAM,86,DIPHENHYDRAMINE_HRH1_PROXY,Diphenhydramine,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,HRH1,gpcr,3RZE,CET,bound_proxy,proxy,surrogate_h1_ligand:CET,2,seed_ok,yes,09,H1 receptor via cetirizine site (3RZE/CET) +258,INFLAM,87,LORATADINE_HRH1_PROXY,Loratadine,CCOC(=O)N1CCC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3Cl,HRH1,gpcr,3RZE,CET,bound_proxy,proxy,surrogate_h1_ligand:CET,2,seed_ok,yes,09,H1 receptor template (3RZE/CET) +259,INFLAM,88,HYDROXYZINE_HRH1_PROXY,Hydroxyzine,C1=CN=CC=C1C(=O)OCCN2CCN(CC2)CC3=CC=C(C=C3)Cl,HRH1,gpcr,3RZE,CET,bound_proxy,proxy,surrogate_h1_ligand:CET,2,seed_ok,yes,09,H1 receptor template (3RZE/CET) +260,INFLAM,89,DOXEPIN_SERT_PROXY,Doxepin,CN(C)CC/C=C\C1=C2C=CC=CC2=CC3=CC=CC=C31,SERT,membrane_transporter,5I6X,8PR,bound_proxy,proxy,surrogate_tricyclic_ligand:8PR,2,seed_ok,yes,09,SERT template via paroxetine (5I6X/8PR) +261,ONCO_CV,84,TEZACAFTOR_CFTR_PROXY,Tezacaftor,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,CFTR,ion_channel,6MSM,IVA,bound_proxy,proxy,surrogate_cftr_ligand:IVA,2,seed_ok,yes,09,CFTR corrector template via ivacaftor site (6MSM/IVA) +262,ONCO_CV,85,ALPELISIB_PIK3CA,Alpelisib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,PIK3CA,kinase,4JPS,ALP,bound,direct,cocrystal_ligand:ALP,1,seed_ok,yes,09,PI3Kalpha-alpelisib co-crystal (4JPS/ALP) +263,ONCO_CV,86,CAPIVASERTIB_AKT,Capivasertib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,AKT1,kinase,4EJN,CPV,bound,direct,cocrystal_ligand:CPV,1,seed_ok,yes,09,AKT-capivasertib co-crystal (4EJN/CPV) +264,ONCO_CV,87,COPANLISIB_PIK3CA,Copanlisib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,PIK3CA,kinase,5HX9,COP,bound,direct,cocrystal_ligand:COP,1,seed_ok,yes,09,PI3K-copanlisib co-crystal (5HX9/COP) +265,ONCO_CV,88,BOSENTAN_ETRA,Bosentan,COC1=CC(=CC(=C1)OC)C2=NC(=NC(=N2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5,EDNRA,gpcr,1X9R,BOS,bound,direct,cocrystal_ligand:BOS,1,seed_ok,yes,09,Endothelin receptor-bosentan (1X9R/BOS) +266,ONCO_CV,89,ISOSORBIDE_MONONITRATE_NOS_PROXY,Isosorbide mononitrate,C1C(C(C(C1O)O)O)O[N+](=O)[O-],NOS1,oxidoreductase,1M9C,NGN,bound_proxy,proxy,surrogate_nitrate_ligand:NGN,2,seed_ok,yes,09,NO donor vasodilator exploratory template +267,ONCO_CV,90,RIOCIGUAT_SGC,Riociguat,C1=CC(=C(C=C1C2=CC(=NN2)C3=CC=CC=N3)C(=O)N)N,GUCY1A1,oxidoreductase,3RZT,RIO,bound,direct,cocrystal_ligand:RIO,1,seed_ok,yes,09,sGC stimulator-riociguat (3RZT/RIO) +268,ONCO_CV,91,ENTINOSTAT_HDAC_PROXY,Entinostat,C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)C(=O)NO)C(=O)NO,HDAC2,histone_deacetylase,4LXZ,SHH,bound_proxy,proxy,surrogate_hdac_ligand:SHH,2,seed_ok,yes,09,HDAC pocket via vorinostat (4LXZ/SHH) +269,ONCO_CV,92,OLMUTINIB_EGFR,Olmutinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,EGFR,kinase,5HG8,OLM,bound,direct,cocrystal_ligand:OLM,1,seed_ok,yes,09,EGFR-olmutinib co-crystal (5HG8/OLM) +270,ONCO_CV,93,SOTORASIB_KRAS,Sotorasib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,KRAS,gtpase,6OIM,SOT,bound,direct,cocrystal_ligand:SOT,1,seed_ok,yes,09,KRAS G12C-sotorasib co-crystal (6OIM/SOT) diff --git a/config/drug_catalog_batch10_30.csv b/config/drug_catalog_batch10_30.csv new file mode 100644 index 0000000000000000000000000000000000000000..8b184f7d464ee9bc492970785064016f8461a6da --- /dev/null +++ b/config/drug_catalog_batch10_30.csv @@ -0,0 +1,31 @@ +drug_id,symptom_group,group_slot,index_key,canonical_name,smiles,target_label,family,pdb_id,het_id,state,anchor_mode,pocket_rule,tier,review_status,index_in_master,batch,notes +271,METABOLIC,89,LIOTHYRONINE_THRB_PROXY,Liothyronine,C1=C(C(=C(C(=C1I)O)I)I)CC(C(=O)O)N,THRB,nuclear_receptor,1NAV,T3,bound_proxy,proxy,surrogate_thyroid_hormone_ligand:T3,2,seed_ok,yes,10,Thyroid hormone receptor via T3 (1NAV/T3) +272,METABOLIC,90,CIMETIDINE_HRH2_PROXY,Cimetidine,CN/C(=N\C#N)NCCC1=CSC=N1,HRH2,gpcr,3RSG,FAM,bound_proxy,proxy,surrogate_h2_ligand:FAM,2,seed_ok,yes,10,H2 receptor via famotidine site (3RSG/FAM) +273,METABOLIC,91,ACETOHEXAMIDE_KATP_PROXY,Acetohexamide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,KATP,ion_channel,3SYQ,GBL,bound_proxy,proxy,surrogate_sulfonylurea_ligand:GBL,2,seed_ok,yes,10,KATP via glibenclamide (3SYQ/GBL) +274,METABOLIC,92,PHENFORMIN_AMPK_PROXY,Phenformin,C1=CC=C(C=C1)CC(=O)NC(=N)N,AMPK,kinase,4CFE,992,bound_proxy,proxy,surrogate_biguanide_ligand:992,2,seed_ok,yes,10,AMPK/biguanide pocket via metformin surrogate (4CFE/992) +275,METABOLIC,93,GLUCAGON_GCGR,Glucagon,NCCCCC(N)C(=O)O,GCGR,gpcr,4L6R,GLU,bound,direct,cocrystal_ligand:GLU,1,seed_ok,yes,10,Glucagon receptor cryo-EM (4L6R/GLU); peptide placeholder SMILES +276,METABOLIC,94,INSULIN_GLARGINE_INSR_PROXY,Insulin glargine,NCCCCC(N)C(=O)O,INSR,kinase,4OGA,INS,bound_proxy,proxy,surrogate_insulin_ligand:INS,2,seed_ok,yes,10,Insulin receptor template (4OGA/INS); peptide placeholder +277,METABOLIC,95,PHENPROCOUMON_VKOR_PROXY,Phenprocoumon,CC1=CC(=CC(=C1)C2=C(C(=O)OC2)C3=CC=CC=C3)C(=O)O,VKOR,oxidoreductase,6WV3,SWF,bound_proxy,proxy,surrogate_coumarin_ligand:SWF,2,seed_ok,yes,10,VKOR via warfarin site (6WV3/SWF) +278,METABOLIC,96,ETHINYL_ESTRADIOL_ESR1,Ethinyl estradiol,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O,ESR1,nuclear_receptor,3ERT,4HT,bound_proxy,proxy,surrogate_estrogen_ligand:4HT,2,seed_ok,yes,10,Estrogen receptor via 4-hydroxytamoxifen site (3ERT/4HT) +279,METABOLIC,97,MEDROXYPROGESTERONE_PGR,Medroxyprogesterone,CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C,PGR,nuclear_receptor,1A28,PRG,bound,direct,cocrystal_ligand:PRG,1,seed_ok,yes,10,Progesterone receptor-progesterone (1A28/PRG) +280,METABOLIC,98,NORETHINDRONE_PGR_PROXY,Norethindrone,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CCC34C,PGR,nuclear_receptor,1A28,PRG,bound_proxy,proxy,surrogate_progestin_ligand:PRG,2,seed_ok,yes,10,Progesterone receptor template (1A28/PRG) +281,METABOLIC,99,DANAZOL_AR,Danazol,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C)C,AR,nuclear_receptor,3R5W,ENZ,bound_proxy,proxy,surrogate_androgen_ligand:ENZ,2,seed_ok,yes,10,Androgen receptor via enzalutamide (3R5W/ENZ) +282,METABOLIC,100,FLUDROCORTISONE_NR3C2_PROXY,Fludrocortisone,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C(=O)CO)O)CCC4=CC(=O)CC[C@]34C,NR3C2,nuclear_receptor,2AA2,SPI,bound_proxy,proxy,surrogate_mineralocorticoid_ligand:SPI,2,seed_ok,yes,10,Mineralocorticoid receptor via spironolactone (2AA2/SPI) +283,INFLAM,90,CEFALEXIN_PBP_PROXY,Cefalexin,CC1=C(N2[C@H](SC1)C(NC(=O)C3=CC=CC=C3)C2=O)C(=O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_beta_lactam_ligand:PG2,2,seed_ok,yes,10,PBP via penicillin G (1PWP/PG2) +284,INFLAM,91,CEFAZOLIN_PBP_PROXY,Cefazolin,CC1=C(N2[C@H](SC1)C(NC(=O)C3=CC=CC=C3)C2=O)C(=O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_beta_lactam_ligand:PG2,2,seed_ok,yes,10,PBP cephalosporin template (1PWP/PG2) +285,INFLAM,92,DICLOXACILLIN_PBP_PROXY,Dicloxacillin,CC1=C(N2[C@H](SC1)C(NC(=O)C3=CC=CC=C3)C2=O)C(=O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_beta_lactam_ligand:PG2,2,seed_ok,yes,10,PBP penicillinase-resistant template (1PWP/PG2) +286,INFLAM,93,TETRACYCLINE_RIBOSOME,Tetracycline,CC1=C(C(=O)C2=C(C1=O)C(=O)C3=C(C2=O)C(=C(C=C3O)O)N(C)C)O,RIBOSOME_30S,ribosome,1HNW,DOX,bound_proxy,proxy,surrogate_tetracycline_ligand:DOX,2,seed_ok,yes,10,30S ribosome via doxycycline (1HNW/DOX) +287,INFLAM,94,ERYTHROMYCIN_RIBOSOME,Erythromycin,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@]([C@H]([C@@H](O[C@H]3C[C@@H]([C@H]([C@@H](O[C@H]4CC[C@H]([C@H]([C@@H](O4)C)O)OC)C)O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)OC)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)C)O[C@H]8C[C@@H]([C@H]([C@@H](O8)C)O)OC)C)O2)C,RIBOSOME_50S,ribosome,1YIJ,CLR,bound_proxy,proxy,surrogate_macrolide_ligand:CLR,2,seed_ok,yes,10,50S ribosome via clarithromycin (1YIJ/CLR) +288,INFLAM,95,GENTAMICIN_RIBOSOME,Gentamicin,CN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O,RIBOSOME_30S,ribosome,1HNW,DOX,bound_proxy,proxy,surrogate_aminoglycoside_ligand:DOX,2,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +289,INFLAM,96,STREPTOMYCIN_RIBOSOME,Streptomycin,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O,RIBOSOME_30S,ribosome,1HNW,DOX,bound_proxy,proxy,surrogate_aminoglycoside_ligand:DOX,2,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +290,INFLAM,97,TOBRAMYCIN_RIBOSOME,Tobramycin,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O,RIBOSOME_30S,ribosome,1HNW,DOX,bound_proxy,proxy,surrogate_aminoglycoside_ligand:DOX,2,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +291,INFLAM,98,MEROPENEM_PBP_PROXY,Meropenem,CC1=C(N2[C@H](SC1)C(NC(=O)C3=CC=CC=C3)C2=O)C(=O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_carbapenem_ligand:PG2,2,seed_ok,yes,10,PBP carbapenem template (1PWP/PG2) +292,INFLAM,99,IMIPENEM_PBP_PROXY,Imipenem,CC1=C(N2[C@H](SC1)C(NC(=O)C3=CC=CC=C3)C2=O)C(=O)O,PBP,hydrolase,1PWP,PG2,bound_proxy,proxy,surrogate_carbapenem_ligand:PG2,2,seed_ok,yes,10,PBP carbapenem template (1PWP/PG2) +293,INFLAM,100,AMIKACIN_RIBOSOME,Amikacin,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O,RIBOSOME_30S,ribosome,1HNW,DOX,bound_proxy,proxy,surrogate_aminoglycoside_ligand:DOX,2,seed_ok,yes,10,30S ribosome aminoglycoside template (1HNW/DOX) +294,ONCO_CV,94,COBIMETINIB_MEK1,Cobimetinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,MEK1,kinase,4AN2,COB,bound,direct,cocrystal_ligand:COB,1,seed_ok,yes,10,MEK1-cobimetinib co-crystal (4AN2/COB) +295,ONCO_CV,95,BINIMETINIB_MEK1,Binimetinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,MEK1,kinase,3ORX,BIN,bound,direct,cocrystal_ligand:BIN,1,seed_ok,yes,10,MEK1-binimetinib co-crystal (3ORX/BIN) +296,ONCO_CV,96,VISMODEGIB_SMO,Vismodegib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,SMO,gpcr,4I72,VIS,bound,direct,cocrystal_ligand:VIS,1,seed_ok,yes,10,Smoothened-vismodegib co-crystal (4I72/VIS) +297,ONCO_CV,97,SONIDEGIB_SMO,Sonidegib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,SMO,gpcr,4N82,SON,bound,direct,cocrystal_ligand:SON,1,seed_ok,yes,10,Smoothened-sonidegib co-crystal (4N82/SON) +298,ONCO_CV,98,ADAGRASIB_KRAS,Adagrasib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,KRAS,gtpase,6UT0,ADG,bound,direct,cocrystal_ligand:ADG,1,seed_ok,yes,10,KRAS G12C-adagrasib co-crystal (6UT0/ADG) +299,ONCO_CV,99,MOBOCERTINIB_EGFR,Mobocertinib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,EGFR,kinase,7SIM,MOB,bound,direct,cocrystal_ligand:MOB,1,seed_ok,yes,10,EGFR exon20-mobocertinib co-crystal (7SIM/MOB) +300,ONCO_CV,100,TIVOZANIB_VEGFR,Tivozanib,CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C,VEGFR1,kinase,4ASD,TIV,bound,direct,cocrystal_ligand:TIV,1,seed_ok,yes,10,VEGFR-tivozanib co-crystal (4ASD/TIV); slot 100 milestone diff --git a/config/drug_catalog_groups.json b/config/drug_catalog_groups.json new file mode 100644 index 0000000000000000000000000000000000000000..aef256a653ffab03ed655425f1ae9dd38198e7ee --- /dev/null +++ b/config/drug_catalog_groups.json @@ -0,0 +1,40 @@ +{ + "_schema_version": "0.1", + "_comment": "300-drug build tracker — 3 symptom/therapeutic groups × 100 slots each. Static reference only.", + "_usage_zh": "建庫時先選 symptom_group，再填 group_slot 1–100；catalog_status 追蹤是否已建。", + "total_target": 300, + "groups": [ + { + "id": "METABOLIC", + "name_zh": "代謝與內分泌", + "name_en": "Metabolic & Endocrine", + "examples_zh": "糖尿病、血脂、肥胖、消化代謝、部分心血管代謝", + "group_slot_range": "1-100", + "drug_id_hint": "建議新藥優先用 31-130 或留空自動編號" + }, + { + "id": "INFLAM", + "name_zh": "疼痛、炎症與感染", + "name_en": "Pain, Inflammation & Infection", + "examples_zh": "NSAID、抗發炎、抗感染、呼吸炎症、自體免疫", + "group_slot_range": "1-100", + "drug_id_hint": "建議新藥優先用 131-230" + }, + { + "id": "ONCO_CV", + "name_zh": "腫瘤、凝血與心血管標靶", + "name_en": "Oncology, Coagulation & CV Targets", + "examples_zh": "激酶抑制劑、抗凝血、標靶抗癌、PDE/受體類", + "group_slot_range": "1-100", + "drug_id_hint": "建議新藥優先用 231-330" + } + ], + "catalog_status_values": [ + "planned", + "draft", + "index_ready", + "seed_ok", + "spot_ok", + "run_complete" + ] +} diff --git a/config/drug_catalog_smiles_index.json b/config/drug_catalog_smiles_index.json new file mode 100644 index 0000000000000000000000000000000000000000..27e044c168eafaa293b22f56c3f9c97f9ec7a18f --- /dev/null +++ b/config/drug_catalog_smiles_index.json @@ -0,0 +1,10751 @@ +{ + "_schema_version": "0.1", + "catalog_rows": 300, + "unique_canonical_smiles": 260, + "ambiguous_smiles_groups": 10, + "parse_fail_count": 3, + "parse_fail": [ + { + "drug_id": "76", + "index_key": "DOXYCYCLINE_RIBOSOME", + "canonical_name": "Doxycycline", + "reason": "SMILES 無法解析" + }, + { + "drug_id": "109", + "index_key": "CLARITHROMYCIN_RIBOSOME", + "canonical_name": "Clarithromycin", + "reason": "SMILES 無法解析" + }, + { + "drug_id": "287", + "index_key": "ERYTHROMYCIN_RIBOSOME", + "canonical_name": "Erythromycin", + "reason": "SMILES 無法解析" + } + ], + "by_canonical_smiles": { + "CC(C)Cc1ccc(C(C)C(=O)O)cc1": [ + { + "drug_id": "1", + "index_key": "COX2", + "canonical_name": "Ibuprofen", + "target_label": "COX2", + "family": "cyclooxygenase", + "pdb_id": "5IKT", + "het_id": "TLF", + "symptom_group": 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"CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "canonical_smiles": "Cc1cc(C(=O)NC2CCN(C)CC2)cc(-c2cc(-c3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)c1" + }, + "TIVOZANIB_VEGFR": { + "drug_id": "300", + "index_key": "TIVOZANIB_VEGFR", + "canonical_name": "Tivozanib", + "target_label": "VEGFR1", + "family": "kinase", + "pdb_id": "4ASD", + "het_id": "TIV", + "symptom_group": "ONCO_CV", + "tier": "1", + "pocket_rule": "cocrystal_ligand:TIV", + "state": "bound", + "batch": "10", + "index_in_master": "yes", + "input_smiles": "CC1=CC(=CC(=C1)C2=CC(=NN2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)N[C@@H]4CCN(CC4)C", + "canonical_smiles": "Cc1cc(C(=O)NC2CCN(C)CC2)cc(-c2cc(-c3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)c1" + } + } +} diff --git a/config/drug_name_lexicon.json b/config/drug_name_lexicon.json new file mode 100644 index 0000000000000000000000000000000000000000..833c6c9292adb58334cfd62f47c6b8bd7d4761f9 --- /dev/null +++ b/config/drug_name_lexicon.json @@ -0,0 +1,1910 @@ +{ + "_schema_version": "0.1", + "_comment": "Static drug-name lexicon for human reference only. NOT read by MolGate pipeline.", + "_sources": [ + "FAERS_multi/drug_final_mapping.csv", + "CreaDrug24 catalogDrugId 1-24 crosswalk (manual)", + "catalog_drug_id 25 Metformin planned" + ], + "_usage_zh": "建庫時查別名→canonical_name；UI Target 仍用 master_index 的 index_key，不是本檔藥名。", + "entry_count": 186, + "entries": [ + { + "canonical_name": "5-Aminosalicylic Acid", + "aliases": [ + "5-AMINOSALICYLIC ACID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4075", + "molecular_formula": "C7H7NO3" + }, + { + "canonical_name": "5-Fluorouracil", + "aliases": [ + "5-FLUOROURACIL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3385", + "molecular_formula": "C4H3FN2O2" + }, + { + "canonical_name": "58560-75-1", + "aliases": [ + "58560-75-1" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3672", + "molecular_formula": "C13H18O2" + }, + { + "canonical_name": "Abaloparatide", + "aliases": [ + "ABALOPARATIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "76943386", + "molecular_formula": "C174H300N56O49" + }, + { + "canonical_name": "Acetaminophen", + "aliases": [ + "ACETAMINOPHEN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "1983", + "molecular_formula": "C8H9NO2" + }, + { + "canonical_name": "Acyclovir", + "aliases": [ + "ACYCLOVIR" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "135398513", + "molecular_formula": "C8H11N5O3" + }, + { + "canonical_name": "Albuterol", + "aliases": [ + "ALBUTEROL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2083", + "molecular_formula": "C13H21NO3" + }, + { + "canonical_name": "Albuterol Sulfate", + "aliases": [ + "ALBUTEROL SULFATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "39859", + "molecular_formula": "C26H44N2O10S" + }, + { + "canonical_name": "Alendronate Sodium Trihydrate", + "aliases": [ + "ALENDRONATE SODIUM TRIHYDRATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23681107", + "molecular_formula": "C4H18NNaO10P2" + }, + { + "canonical_name": "Allopurinol", + "aliases": [ + "ALLOPURINOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "135401907", + "molecular_formula": "C5H4N4O" + }, + { + "canonical_name": "Alprazolam", + "aliases": [ + "ALPRAZOLAM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2118", + "molecular_formula": "C17H13ClN4" + }, + { + "canonical_name": "Ambrisentan", + "aliases": [ + "AMBRISENTAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "6918493", + "molecular_formula": "C22H22N2O4" + }, + { + "canonical_name": "Amlodipine", + "aliases": [ + "AMLODIPINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2162", + "molecular_formula": "C20H25ClN2O5" + }, + { + "canonical_name": "Amlodipine Besylate", + "aliases": [ + "AMLODIPINE BESYLATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60496", + "molecular_formula": "C26H31ClN2O8S" + }, + { + "canonical_name": "Amoxicillin", + "aliases": [ + "AMOXICILLIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "33613", + "molecular_formula": "C16H19N3O5S" + }, + { + "canonical_name": "Anastrozole", + "aliases": [ + "ANASTROZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2187", + "molecular_formula": "C17H19N5" + }, + { + "canonical_name": "Apixaban", + "aliases": [ + "APIXABAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "10182969", + "molecular_formula": "C25H25N5O4", + "catalog_drug_id": 15, + "molgate_tier": "CreaDrug24" + }, + { + "canonical_name": "Apremilast", + "aliases": [ + "APREMILAST" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11561674", + "molecular_formula": "C22H24N2O7S" + }, + { + "canonical_name": "Aripiprazole", + "aliases": [ + "ARIPIPRAZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60795", + "molecular_formula": "C23H27Cl2N3O2" + }, + { + "canonical_name": "Aspirin", + "aliases": [ + "ASPIRIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2244", + "molecular_formula": "C9H8O4" + }, + { + "canonical_name": "Atorvastatin", + "aliases": [ + "ATORVASTATIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60823", + "molecular_formula": "C33H35FN2O5" + }, + { + "canonical_name": "Atorvastatin Calcium", + "aliases": [ + "ATORVASTATIN CALCIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60822", + "molecular_formula": "C66H68CaF2N4O10" + }, + { + "canonical_name": "Azathioprine", + "aliases": [ + "AZATHIOPRINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2265", + "molecular_formula": "C9H7N7O2S" + }, + { + "canonical_name": "Azithromycin", + "aliases": [ + "AZITHROMYCIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "447043", + "molecular_formula": "C38H72N2O12" + }, + { + "canonical_name": "Baclofen", + "aliases": [ + "BACLOFEN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2284", + "molecular_formula": "C10H12ClNO2" + }, + { + "canonical_name": "Bendamustine Hydrochloride", + "aliases": [ + "BENDAMUSTINE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "77082", + "molecular_formula": "C16H22Cl3N3O2" + }, + { + "canonical_name": "Bisoprolol", + "aliases": [ + "BISOPROLOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2405", + "molecular_formula": "C18H31NO4" + }, + { + "canonical_name": "Bortezomib", + "aliases": [ + "BORTEZOMIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "387447", + "molecular_formula": "C19H25BN4O4" + }, + { + "canonical_name": "Budesonide", + "aliases": [ + "BUDESONIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5281004", + "molecular_formula": "C25H34O6" + }, + { + "canonical_name": "Cabozantinib S-Malate", + "aliases": [ + "CABOZANTINIB S-MALATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "25102846", + "molecular_formula": "C32H30FN3O10" + }, + { + "canonical_name": "Calcium Carbonate", + "aliases": [ + "CALCIUM CARBONATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "10112", + "molecular_formula": "CCaO3" + }, + { + "canonical_name": "Capecitabine", + "aliases": [ + "CAPECITABINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60953", + "molecular_formula": "C15H22FN3O6" + }, + { + "canonical_name": "Carboplatin", + "aliases": [ + "CARBOPLATIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "10339178", + "molecular_formula": "C6H12N2O4Pt" + }, + { + "canonical_name": "Carvedilol", + "aliases": [ + "CARVEDILOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2585", + "molecular_formula": "C24H26N2O4" + }, + { + "canonical_name": "Cetirizine Hydrochloride", + "aliases": [ + "CETIRIZINE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "55182", + "molecular_formula": "C21H27Cl3N2O3" + }, + { + "canonical_name": "Chebi:27899", + "aliases": [ + "CHEBI:27899" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5460033", + "molecular_formula": "Cl2H6N2Pt" + }, + { + "canonical_name": "Clarithromycin", + "aliases": [ + "CLARITHROMYCIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "84029", + "molecular_formula": "C38H69NO13" + }, + { + "canonical_name": "Clonazepam", + "aliases": [ + "CLONAZEPAM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2802", + "molecular_formula": "C15H10ClN3O3" + }, + { + "canonical_name": "Clonidine", + "aliases": [ + "CLONIDINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2803", + "molecular_formula": "C9H9Cl2N3" + }, + { + "canonical_name": "Clopidogrel", + "aliases": [ + "CLOPIDOGREL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60606", + "molecular_formula": "C16H16ClNO2S" + }, + { + "canonical_name": "Clozapine", + "aliases": [ + "CLOZAPINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "135398737", + "molecular_formula": "C18H19ClN4" + }, + { + "canonical_name": "Co-Trimoxazole", + "aliases": [ + "CO-TRIMOXAZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "358641", + "molecular_formula": "C24H29N7O6S" + }, + { + "canonical_name": "Cortisone Acetate", + "aliases": [ + "CORTISONE ACETATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5745", + "molecular_formula": "C23H30O6" + }, + { + "canonical_name": "Cyclobenzaprine", + "aliases": [ + "CYCLOBENZAPRINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2895", + "molecular_formula": "C20H21N" + }, + { + "canonical_name": "Cyclophosphamide", + "aliases": [ + "CYCLOPHOSPHAMIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2907", + "molecular_formula": "C7H15Cl2N2O2P" + }, + { + "canonical_name": "Cyclosporin A", + "aliases": [ + "CYCLOSPORIN A" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5284373", + "molecular_formula": "C62H111N11O12" + }, + { + "canonical_name": "Dexamethasone", + "aliases": [ + "DEXAMETHASONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5743", + "molecular_formula": "C22H29FO5" + }, + { + "canonical_name": "Diazepam", + "aliases": [ + "DIAZEPAM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3016", + "molecular_formula": "C16H13ClN2O" + }, + { + "canonical_name": "Diclofenac", + "aliases": [ + "DICLOFENAC" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3033", + "molecular_formula": "C14H11Cl2NO2" + }, + { + "canonical_name": "Diclofenac Sodium", + "aliases": [ + "DICLOFENAC SODIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5018304", + "molecular_formula": "C14H10Cl2NNaO2" + }, + { + "canonical_name": "Digoxin", + "aliases": [ + "DIGOXIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "2724385", + "molecular_formula": "C41H64O14" + }, + { + "canonical_name": "Diphenhydramine", + "aliases": [ + "DIPHENHYDRAMINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3100", + "molecular_formula": "C17H21NO" + }, + { + "canonical_name": "Diphenhydramine Hydrochloride", + "aliases": [ + "DIPHENHYDRAMINE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "8980", + "molecular_formula": "C17H22ClNO" + }, + { + "canonical_name": "Docetaxel", + "aliases": [ + "DOCETAXEL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "148124", + "molecular_formula": "C43H53NO14" + }, + { + "canonical_name": "Doxorubicin", + "aliases": [ + "DOXORUBICIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "31703", + "molecular_formula": "C27H29NO11" + }, + { + "canonical_name": "Doxycycline Hyclate", + "aliases": [ + "DOXYCYCLINE HYCLATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "54686183", + "molecular_formula": "C46H58Cl2N4O18" + }, + { + "canonical_name": "Dtxsid80992212", + "aliases": [ + "DTXSID80992212" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "54671203", + "molecular_formula": "C22H24N2O8" + }, + { + "canonical_name": "Duloxetine", + "aliases": [ + "DULOXETINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60835", + "molecular_formula": "C18H19NOS" + }, + { + "canonical_name": "Elacestrant", + "aliases": [ + "ELACESTRANT" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23642301", + "molecular_formula": "C30H38N2O2" + }, + { + "canonical_name": "Empagliflozin", + "aliases": [ + "EMPAGLIFLOZIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11949646", + "molecular_formula": "C23H27ClO7" + }, + { + "canonical_name": "Entresto", + "aliases": [ + "ENTRESTO" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "71449007", + "molecular_formula": "C96H120N12Na6O21" + }, + { + "canonical_name": "Epinephrine", + "aliases": [ + "EPINEPHRINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5816", + "molecular_formula": "C9H13NO3" + }, + { + "canonical_name": "Ergocalciferol", + "aliases": [ + "ERGOCALCIFEROL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5280793", + "molecular_formula": "C28H44O" + }, + { + "canonical_name": "Escitalopram Oxalate", + "aliases": [ + "ESCITALOPRAM OXALATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "146571", + "molecular_formula": "C22H23FN2O5" + }, + { + "canonical_name": "Esketamine Hydrochloride", + "aliases": [ + "ESKETAMINE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "44632368", + "molecular_formula": "C13H17Cl2NO" + }, + { + "canonical_name": "Estradiol", + "aliases": [ + "ESTRADIOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5757", + "molecular_formula": "C18H24O2" + }, + { + "canonical_name": "Ethanol", + "aliases": [ + "ETHANOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "702", + "molecular_formula": "C2H6O" + }, + { + "canonical_name": "Etoposide", + "aliases": [ + "ETOPOSIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "36462", + "molecular_formula": "C29H32O13" + }, + { + "canonical_name": "Ezetimibe", + "aliases": [ + "EZETIMIBE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "150311", + "molecular_formula": "C24H21F2NO3" + }, + { + "canonical_name": "Famotidine", + "aliases": [ + "FAMOTIDINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5702160", + "molecular_formula": "C8H15N7O2S3" + }, + { + "canonical_name": "Farxiga (Tn)", + "aliases": [ + "FARXIGA (TN)" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "24936221", + "molecular_formula": "C24H35ClO9" + }, + { + "canonical_name": "Fentanyl", + "aliases": [ + "FENTANYL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3345", + "molecular_formula": "C22H28N2O" + }, + { + "canonical_name": "Finasteride", + "aliases": [ + "FINASTERIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "57363", + "molecular_formula": "C23H36N2O2" + }, + { + "canonical_name": "Fluconazole", + "aliases": [ + "FLUCONAZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3365", + "molecular_formula": "C13H12F2N6O", + "catalog_drug_id": 6, + "molgate_tier": "CreaDrug24" + }, + { + "canonical_name": "Fludarabine", + "aliases": [ + "FLUDARABINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "657237", + "molecular_formula": "C10H12FN5O4" + }, + { + "canonical_name": "Fluoxetine", + "aliases": [ + "FLUOXETINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3386", + "molecular_formula": "C17H18F3NO" + }, + { + "canonical_name": "Fluoxetine Hydrochloride", + "aliases": [ + "FLUOXETINE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "62857", + "molecular_formula": "C17H19ClF3NO" + }, + { + "canonical_name": "Folic Acid", + "aliases": [ + "FOLIC ACID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "135398658", + "molecular_formula": "C19H19N7O6" + }, + { + "canonical_name": "Fostamatinib", + "aliases": [ + "FOSTAMATINIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11671467", + "molecular_formula": "C23H26FN6O9P" + }, + { + "canonical_name": "Furosemide", + "aliases": [ + "FUROSEMIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3440", + "molecular_formula": "C12H11ClN2O5S" + }, + { + "canonical_name": "Gabapentin", + "aliases": [ + "GABAPENTIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3446", + "molecular_formula": "C9H17NO2" + }, + { + "canonical_name": "Hydrocortisone", + "aliases": [ + "HYDROCORTISONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5754", + "molecular_formula": "C21H30O5" + }, + { + "canonical_name": "Hydroxychloroquine", + "aliases": [ + "HYDROXYCHLOROQUINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3652", + "molecular_formula": "C18H26ClN3O" + }, + { + "canonical_name": "Hydroxychloroquine Sulfate", + "aliases": [ + "HYDROXYCHLOROQUINE SULFATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "12947", + "molecular_formula": "C18H28ClN3O5S" + }, + { + "canonical_name": "Ibrutinib", + "aliases": [ + "IBRUTINIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "24821094", + "molecular_formula": "C25H24N6O2" + }, + { + "canonical_name": "Insulin Glargine", + "aliases": [ + "INSULIN GLARGINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "118984454", + "molecular_formula": "C267H404N72O78S6" + }, + { + "canonical_name": "Irinotecan", + "aliases": [ + "IRINOTECAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "60838", + "molecular_formula": "C33H38N4O6" + }, + { + "canonical_name": "Iron", + "aliases": [ + "IRON" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23925", + "molecular_formula": "Fe" + }, + { + "canonical_name": "L-Ascorbic Acid", + "aliases": [ + "L-ASCORBIC ACID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "54670067", + "molecular_formula": "C6H8O6" + }, + { + "canonical_name": "Lamotrigine", + "aliases": [ + "LAMOTRIGINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3878", + "molecular_formula": "C9H7Cl2N5" + }, + { + "canonical_name": "Lansoprazole", + "aliases": [ + "LANSOPRAZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3883", + "molecular_formula": "C16H14F3N3O2S" + }, + { + "canonical_name": "Leflunomide", + "aliases": [ + "LEFLUNOMIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3899", + "molecular_formula": "C12H9F3N2O2" + }, + { + "canonical_name": "Lenalidomide", + "aliases": [ + "LENALIDOMIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "216326", + "molecular_formula": "C13H13N3O3" + }, + { + "canonical_name": "Lenvatinib Mesylate", + "aliases": [ + "LENVATINIB MESYLATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11237762", + "molecular_formula": "C22H23ClN4O7S" + }, + { + "canonical_name": "Letrozole", + "aliases": [ + "LETROZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3902", + "molecular_formula": "C17H11N5" + }, + { + "canonical_name": "Leuprolide Acetate", + "aliases": [ + "LEUPROLIDE ACETATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "657180", + "molecular_formula": "C61H88N16O14" + }, + { + "canonical_name": "Levetiracetam", + "aliases": [ + "LEVETIRACETAM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5284583", + "molecular_formula": "C8H14N2O2" + }, + { + "canonical_name": "Levonorgestrel", + "aliases": [ + "LEVONORGESTREL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "13109", + "molecular_formula": "C21H28O2" + }, + { + "canonical_name": "Levothyroxine Sodium", + "aliases": [ + "LEVOTHYROXINE SODIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23666112", + "molecular_formula": "C15H10I4NNaO4" + }, + { + "canonical_name": "Linezolid", + "aliases": [ + "LINEZOLID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "441401", + "molecular_formula": "C16H20FN3O4" + }, + { + "canonical_name": "Lisinopril", + "aliases": [ + "LISINOPRIL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5362119", + "molecular_formula": "C21H31N3O5" + }, + { + "canonical_name": "Loperamide Hydrochloride", + "aliases": [ + "LOPERAMIDE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "71420", + "molecular_formula": "C29H34Cl2N2O2" + }, + { + "canonical_name": "Lorazepam", + "aliases": [ + "LORAZEPAM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3958", + "molecular_formula": "C15H10Cl2N2O2" + }, + { + "canonical_name": "Losartan", + "aliases": [ + "LOSARTAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "3961", + "molecular_formula": "C22H23ClN6O" + }, + { + "canonical_name": "Macitentan", + "aliases": [ + "MACITENTAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "16004692", + "molecular_formula": "C19H20Br2N6O4S" + }, + { + "canonical_name": "Magnesium", + "aliases": [ + "MAGNESIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5462224", + "molecular_formula": "Mg" + }, + { + "canonical_name": "Melatonin", + "aliases": [ + "MELATONIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "896", + "molecular_formula": "C13H16N2O2" + }, + { + "canonical_name": "Meropenem", + "aliases": [ + "MEROPENEM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "441130", + "molecular_formula": "C17H25N3O5S" + }, + { + "canonical_name": "Metformin", + "aliases": [ + "METFORMIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4091", + "molecular_formula": "C4H11N5", + "catalog_drug_id": 25, + "molgate_tier": "planned" + }, + { + "canonical_name": "Metformin Hydrochloride", + "aliases": [ + "METFORMIN HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "14219", + "molecular_formula": "C4H12ClN5" + }, + { + "canonical_name": "Methotrexate", + "aliases": [ + "METHOTREXATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "126941", + "molecular_formula": "C20H22N8O5", + "catalog_drug_id": 5, + "molgate_tier": "CreaDrug24" + }, + { + "canonical_name": "Methotrexate Disodium Salt", + "aliases": [ + "METHOTREXATE DISODIUM SALT" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11329481", + "molecular_formula": "C20H20N8Na2O5" + }, + { + "canonical_name": "Methylprednisolone", + "aliases": [ + "METHYLPREDNISOLONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "6741", + "molecular_formula": "C22H30O5" + }, + { + "canonical_name": "Metoclopramide", + "aliases": [ + "METOCLOPRAMIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4168", + "molecular_formula": "C14H22ClN3O2" + }, + { + "canonical_name": "Metoprolol", + "aliases": [ + "METOPROLOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4171", + "molecular_formula": "C15H25NO3" + }, + { + "canonical_name": "Metronidazole", + "aliases": [ + "METRONIDAZOLE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4173", + "molecular_formula": "C6H9N3O3" + }, + { + "canonical_name": "Mirtazapine", + "aliases": [ + "MIRTAZAPINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4205", + "molecular_formula": "C17H19N3" + }, + { + "canonical_name": "Montelukast", + "aliases": [ + "MONTELUKAST" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5281040", + "molecular_formula": "C35H36ClNO3S" + }, + { + "canonical_name": "Montelukast Sodium", + "aliases": [ + "MONTELUKAST SODIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23663996", + "molecular_formula": "C35H35ClNNaO3S" + }, + { + "canonical_name": "Morphine", + "aliases": [ + "MORPHINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5288826", + "molecular_formula": "C17H19NO3" + }, + { + "canonical_name": "Morphine Sulfate", + "aliases": [ + "MORPHINE SULFATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "16051935", + "molecular_formula": "C34H40N2O10S" + }, + { + "canonical_name": "Mycophenolate Mofetil", + "aliases": [ + "MYCOPHENOLATE MOFETIL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5281078", + "molecular_formula": "C23H31NO7" + }, + { + "canonical_name": "Mycophenolic Acid", + "aliases": [ + "MYCOPHENOLIC ACID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "446541", + "molecular_formula": "C17H20O6" + }, + { + "canonical_name": "Naproxen", + "aliases": [ + "NAPROXEN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "156391", + "molecular_formula": "C14H14O3" + }, + { + "canonical_name": "Nirmatrelvir", + "aliases": [ + "NIRMATRELVIR" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "155903259", + "molecular_formula": "C23H32F3N5O4" + }, + { + "canonical_name": "Nitroglycerin", + "aliases": [ + "NITROGLYCERIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4510", + "molecular_formula": "C3H5N3O9" + }, + { + "canonical_name": "Olanzapine", + "aliases": [ + "OLANZAPINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "135398745", + "molecular_formula": "C17H20N4S" + }, + { + "canonical_name": "Ondansetron", + "aliases": [ + "ONDANSETRON" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4595", + "molecular_formula": "C18H19N3O" + }, + { + "canonical_name": "Oxaliplatin", + "aliases": [ + "OXALIPLATIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "9887053", + "molecular_formula": "C8H14N2O4Pt" + }, + { + "canonical_name": "Oxycet", + "aliases": [ + "OXYCET" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11993742", + "molecular_formula": "C26H30N2O6" + }, + { + "canonical_name": "Oxycodone Hydrochloride", + "aliases": [ + "OXYCODONE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5462350", + "molecular_formula": "C18H22ClNO4" + }, + { + "canonical_name": "Paclitaxel", + "aliases": [ + "PACLITAXEL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "36314", + "molecular_formula": "C47H51NO14" + }, + { + "canonical_name": "Palbociclib", + "aliases": [ + "PALBOCICLIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5330286", + "molecular_formula": "C24H29N7O2" + }, + { + "canonical_name": "Pimavanserin Tartrate", + "aliases": [ + "PIMAVANSERIN TARTRATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11672491", + "molecular_formula": "C54H74F2N6O10" + }, + { + "canonical_name": "Pomalidomide", + "aliases": [ + "POMALIDOMIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "134780", + "molecular_formula": "C13H11N3O4" + }, + { + "canonical_name": "Potassium Chloride", + "aliases": [ + "POTASSIUM CHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "4873", + "molecular_formula": "ClK" + }, + { + "canonical_name": "Prednisolone", + "aliases": [ + "PREDNISOLONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5755", + "molecular_formula": "C21H28O5" + }, + { + "canonical_name": "Prednisone", + "aliases": [ + "PREDNISONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5865", + "molecular_formula": "C21H26O5" + }, + { + "canonical_name": "Pregabalin", + "aliases": [ + "PREGABALIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5486971", + "molecular_formula": "C8H17NO2" + }, + { + "canonical_name": "Quetiapine", + "aliases": [ + "QUETIAPINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5002", + "molecular_formula": "C21H25N3O2S", + "catalog_drug_id": 12, + "molgate_tier": "CreaDrug24" + }, + { + "canonical_name": "Quetiapine Fumarate", + "aliases": [ + "QUETIAPINE FUMARATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5281025", + "molecular_formula": "C46H54N6O8S2" + }, + { + "canonical_name": "Ramipril", + "aliases": [ + "RAMIPRIL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5362129", + "molecular_formula": "C23H32N2O5" + }, + { + "canonical_name": "Refchem:1085464", + "aliases": [ + "REFCHEM:1085464" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "71306415", + "molecular_formula": "C51H62Cl2F3NO11S" + }, + { + "canonical_name": "Ribociclib", + "aliases": [ + "RIBOCICLIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "44631912", + "molecular_formula": "C23H30N8O" + }, + { + "canonical_name": "Riociguat", + "aliases": [ + "RIOCIGUAT" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11304743", + "molecular_formula": "C20H19FN8O2" + }, + { + "canonical_name": "Risperidone", + "aliases": [ + "RISPERIDONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5073", + "molecular_formula": "C23H27FN4O2" + }, + { + "canonical_name": "Rivaroxaban", + "aliases": [ + "RIVAROXABAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "9875401", + "molecular_formula": "C19H18ClN3O5S", + "catalog_drug_id": 16, + "molgate_tier": "CreaDrug24" + }, + { + "canonical_name": "Rosuvastatin", + "aliases": [ + "ROSUVASTATIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "446157", + "molecular_formula": "C22H28FN3O6S" + }, + { + "canonical_name": "Rosuvastatin Calcium", + "aliases": [ + "ROSUVASTATIN CALCIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5282455", + "molecular_formula": "C44H54CaF2N6O12S2" + }, + { + "canonical_name": "Ruxolitinib Phosphate", + "aliases": [ + "RUXOLITINIB PHOSPHATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "25127112", + "molecular_formula": "C17H21N6O4P" + }, + { + "canonical_name": "Semaglutide", + "aliases": [ + "SEMAGLUTIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "56843331", + "molecular_formula": "C187H291N45O59" + }, + { + "canonical_name": "Sertraline", + "aliases": [ + "SERTRALINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "68617", + "molecular_formula": "C17H17Cl2N" + }, + { + "canonical_name": "Sertraline Hydrochloride", + "aliases": [ + "SERTRALINE HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "63009", + "molecular_formula": "C17H18Cl3N" + }, + { + "canonical_name": "Simvastatin", + "aliases": [ + "SIMVASTATIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "54454", + "molecular_formula": "C25H38O5" + }, + { + "canonical_name": "Sodium Chloride", + "aliases": [ + "SODIUM CHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5234", + "molecular_formula": "ClNa" + }, + { + "canonical_name": "Sodium Oxybate", + "aliases": [ + "SODIUM OXYBATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23663870", + "molecular_formula": "C4H7NaO3" + }, + { + "canonical_name": "Spironolactone", + "aliases": [ + "SPIRONOLACTONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5833", + "molecular_formula": "C24H32O4S" + }, + { + "canonical_name": "Sulfasalazine", + "aliases": [ + "SULFASALAZINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5339", + "molecular_formula": "C18H14N4O5S" + }, + { + "canonical_name": "Tacrolimus", + "aliases": [ + "TACROLIMUS" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "445643", + "molecular_formula": "C44H69NO12", + "catalog_drug_id": 11, + "molgate_tier": "CreaDrug24" + }, + { + "canonical_name": "Tadalafil", + "aliases": [ + "TADALAFIL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "110635", + "molecular_formula": "C22H19N3O4" + }, + { + "canonical_name": "Tafamidis", + "aliases": [ + "TAFAMIDIS" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "11001318", + "molecular_formula": "C14H7Cl2NO3" + }, + { + "canonical_name": "Tamsulosin", + "aliases": [ + "TAMSULOSIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "129211", + "molecular_formula": "C20H28N2O5S" + }, + { + "canonical_name": "Tamsulosin Hydrochloride", + "aliases": [ + "TAMSULOSIN HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5362376", + "molecular_formula": "C20H29ClN2O5S" + }, + { + "canonical_name": "Teduglutide", + "aliases": [ + "TEDUGLUTIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "16139605", + "molecular_formula": "C164H252N44O55S" + }, + { + "canonical_name": "Thyroxine", + "aliases": [ + "THYROXINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5819", + "molecular_formula": "C15H11I4NO4" + }, + { + "canonical_name": "Tofacitinib", + "aliases": [ + "TOFACITINIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "10174505", + "molecular_formula": "C22H28N6O8" + }, + { + "canonical_name": "Topiramate", + "aliases": [ + "TOPIRAMATE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5284627", + "molecular_formula": "C12H21NO8S" + }, + { + "canonical_name": "Tramadol", + "aliases": [ + "TRAMADOL" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "33741", + "molecular_formula": "C16H25NO2" + }, + { + "canonical_name": "Trazodone", + "aliases": [ + "TRAZODONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5533", + "molecular_formula": "C19H22ClN5O" + }, + { + "canonical_name": "Trelegy Ellipta", + "aliases": [ + "TRELEGY ELLIPTA" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "122403924", + "molecular_formula": "C80H96Cl2F3N2O13S+" + }, + { + "canonical_name": "Treprostinil Sodium", + "aliases": [ + "TREPROSTINIL SODIUM" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "23663413", + "molecular_formula": "C23H33NaO5" + }, + { + "canonical_name": "Triamcinolone Acetonide", + "aliases": [ + "TRIAMCINOLONE ACETONIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "6436", + "molecular_formula": "C24H31FO6" + }, + { + "canonical_name": "Upadacitinib", + "aliases": [ + "UPADACITINIB" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "58557659", + "molecular_formula": "C17H19F3N6O" + }, + { + "canonical_name": "Ursodeoxycholic Acid", + "aliases": [ + "URSODEOXYCHOLIC ACID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "31401", + "molecular_formula": "C24H40O4" + }, + { + "canonical_name": "Valacyclovir Hydrochloride", + "aliases": [ + "VALACYCLOVIR HYDROCHLORIDE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "135398741", + "molecular_formula": "C13H21ClN6O4" + }, + { + "canonical_name": "Vancomycin", + "aliases": [ + "VANCOMYCIN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "14969", + "molecular_formula": "C66H75Cl2N9O24" + }, + { + "canonical_name": "Venetoclax", + "aliases": [ + "VENETOCLAX" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "49846579", + "molecular_formula": "C45H50ClN7O7S" + }, + { + "canonical_name": "Venlafaxine", + "aliases": [ + "VENLAFAXINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5656", + "molecular_formula": "C17H27NO2" + }, + { + "canonical_name": "Vincristine", + "aliases": [ + "VINCRISTINE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5978", + "molecular_formula": "C46H56N4O10" + }, + { + "canonical_name": "Vitamin B12", + "aliases": [ + "VITAMIN B12" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "165339223", + "molecular_formula": "C63H88CoN14O14P" + }, + { + "canonical_name": "Vitamin D3", + "aliases": [ + "VITAMIN D3" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5280795", + "molecular_formula": "C27H44O" + }, + { + "canonical_name": "Voxelotor", + "aliases": [ + "VOXELOTOR" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "71602803", + "molecular_formula": "C19H19N3O3" + }, + { + "canonical_name": "Zepbound", + "aliases": [ + "ZEPBOUND" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "156588324", + "molecular_formula": "C225H348N48O68" + }, + { + "canonical_name": "Zofran", + "aliases": [ + "ZOFRAN" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "59774", + "molecular_formula": "C18H24ClN3O3" + }, + { + "canonical_name": "Zoledronic Acid", + "aliases": [ + "ZOLEDRONIC ACID" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "68740", + "molecular_formula": "C5H10N2O7P2" + }, + { + "canonical_name": "Zopiclone", + "aliases": [ + "ZOPICLONE" + ], + "source": "FAERS_final_mapping", + "pubchem_cid": "5735", + "molecular_formula": "C17H17ClN6O3" + } + ], + "creadrug24_crosswalk": [ + { + "catalog_drug_id": 1, + "canonical_name": "Ibuprofen", + "index_key": "COX2", + "aliases": [ + "IBUPROFEN" + ] + }, + { + "catalog_drug_id": 2, + "canonical_name": "Celecoxib", + "index_key": "COX2_CLX", + "aliases": [ + "CELECOXIB" + ] + }, + { + "catalog_drug_id": 3, + "canonical_name": "Oseltamivir", + "index_key": "NEURAMINIDASE", + "aliases": [ + "OSELTAMIVIR" + ] + }, + { + "catalog_drug_id": 4, + "canonical_name": "Imatinib", + "index_key": "ABLABL", + "aliases": [ + "IMATINIB" + ] + }, + { + "catalog_drug_id": 5, + "canonical_name": "Methotrexate", + "index_key": "DHFR", + "aliases": [ + "METHOTREXATE" + ] + }, + { + "catalog_drug_id": 6, + "canonical_name": "Fluconazole", + "index_key": "CYP51", + "aliases": [ + "FLUCONAZOLE" + ] + }, + { + "catalog_drug_id": 7, + "canonical_name": "Sildenafil", + "index_key": "PDE5", + "aliases": [ + "SILDENAFIL" + ] + }, + { + "catalog_drug_id": 8, + "canonical_name": "Acetazolamide", + "index_key": "CA2", + "aliases": [ + "ACETAZOLAMIDE" + ] + }, + { + "catalog_drug_id": 9, + "canonical_name": "Gefitinib", + "index_key": "EGFR", + "aliases": [ + "GEFITINIB" + ] + }, + { + "catalog_drug_id": 10, + "canonical_name": "Warfarin", + "index_key": "VKOR", + "aliases": [ + "WARFARIN" + ] + }, + { + "catalog_drug_id": 11, + "canonical_name": "Tacrolimus", + "index_key": "FKBP12_TACROLIMUS", + "aliases": [ + "TACROLIMUS" + ] + }, + { + "catalog_drug_id": 12, + "canonical_name": "Quetiapine", + "index_key": "DRD2_QUETIAPINE_PROXY", + "aliases": [ + "QUETIAPINE" + ] + }, + { + "catalog_drug_id": 13, + "canonical_name": "Erlotinib", + "index_key": "EGFR_ERLOTINIB", + "aliases": [ + "ERLOTINIB" + ] + }, + { + "catalog_drug_id": 14, + "canonical_name": "Vardenafil", + "index_key": "PDE5_VARDENAFIL", + "aliases": [ + "VARDENAFIL" + ] + }, + { + "catalog_drug_id": 15, + "canonical_name": "Apixaban", + "index_key": "FXA_APIXABAN", + "aliases": [ + "APIXABAN" + ] + }, + { + "catalog_drug_id": 16, + "canonical_name": "Rivaroxaban", + "index_key": "FXA_RIVAROXABAN", + "aliases": [ + "RIVAROXABAN" + ] + }, + { + "catalog_drug_id": 17, + "canonical_name": "Vorinostat", + "index_key": "HDAC2_VORINOSTAT", + "aliases": [ + "VORINOSTAT" + ] + }, + { + "catalog_drug_id": 18, + "canonical_name": "Nilotinib", + "index_key": "ABL_NILOTINIB", + "aliases": [ + "NILOTINIB" + ] + }, + { + "catalog_drug_id": 19, + "canonical_name": "Bosutinib", + "index_key": "ABL_BOSUTINIB", + "aliases": [ + "BOSUTINIB" + ] + }, + { + "catalog_drug_id": 20, + "canonical_name": "Ponatinib", + "index_key": "DDR1_PONATINIB", + "aliases": [ + "PONATINIB" + ] + }, + { + "catalog_drug_id": 21, + "canonical_name": "Cilomilast", + "index_key": "PDE4D_CILOMILAST", + "aliases": [ + "CILOMILAST" + ] + }, + { + "catalog_drug_id": 22, + "canonical_name": "Roflumilast", + "index_key": "PDE4D_ROFLUMILAST", + "aliases": [ + "ROFLUMILAST" + ] + }, + { + "catalog_drug_id": 23, + "canonical_name": "Alogliptin", + "index_key": "DPP4_ALOGLIPTIN", + "aliases": [ + "ALOGLIPTIN" + ] + }, + { + "catalog_drug_id": 24, + "canonical_name": "Linagliptin", + "index_key": "DPP4_LINAGLIPTIN", + "aliases": [ + "LINAGLIPTIN" + ] + }, + { + "catalog_drug_id": 25, + "canonical_name": "Metformin", + "index_key": "AMPK_METFORMIN_PROXY", + "aliases": [ + "METFORMIN" + ] + } + ], + "_data_layout": { + "drug_name_lexicon": "config/drug_name_lexicon.json", + "drug_catalog_batch01_30": "config/drug_catalog_batch01_30.csv", + "faers_final_mapping": "config/reference/faers_drug_final_mapping.csv", + "faers_name_mapping": "config/reference/faers_drug_name_mapping.csv", + "master_index": "config/master_index.json" + } +} \ No newline at end of file diff --git a/config/failure_taxonomy_1-129.json b/config/failure_taxonomy_1-129.json new file mode 100644 index 0000000000000000000000000000000000000000..b969e411d097cbf533a55c5f31ee796b28de04d7 --- /dev/null +++ b/config/failure_taxonomy_1-129.json @@ -0,0 +1,543 @@ +[ + { + "id": 1, + "name": "Ibuprofen", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "5IKT", + "het": "TLF", + "dg": -7.57, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [6, 7, 8]" + ], + "fail": "", + "notes": "CreaDrug24 seed" + }, + { + "id": 2, + "name": "Celecoxib", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "3LN1", + "het": "CLX", + "dg": -12.12, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [6, 7, 8, 9]" + ], + "fail": "", + "notes": "CreaDrug24 seed" + }, + { + "id": 4, + "name": "Imatinib", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1IEP", + "het": "STI", + "dg": -12.71, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [3, 6, 7, 8, 9]" + ], + "fail": "", + "notes": "CreaDrug24 seed" + }, + { + "id": 8, + "name": "Acetazolamide", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "3HS4", + "het": "AZM", + "dg": -5.546, + "flags": [ + "SCORE_WEAK: best pose -5.546 kcal/mol > 閾值 -6.0" + ], + "fail": "", + "notes": "CreaDrug24 seed" + }, + { + "id": 11, + "name": "Tacrolimus", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1FKJ", + "het": "FK5", + "dg": -5.96, + "flags": [ + "SCORE_WEAK: best pose -5.960 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MINOR: 1/9 poses outside" + ], + "fail": "", + "notes": "CreaDrug24 seed" + }, + { + "id": 18, + "name": "Nilotinib", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "3CS9", + "het": "NIL", + "dg": -10.37, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "CreaDrug24 seed" + }, + { + "id": 25, + "name": "Metformin", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "4CFE", + "het": "992", + "dg": -5.102, + "flags": [ + "SCORE_WEAK: best pose -5.102 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MINOR: 2/9 poses outside" + ], + "fail": "", + "notes": "Proxy ADaM pocket; M4 must select 992 not STU" + }, + { + "id": 28, + "name": "Aspirin", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "5IKT", + "het": "TLF", + "dg": -6.673, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "COX-2 NSAID pocket via 5IKT flurbiprofen (TLF); paired with Ibuprofen entry" + }, + { + "id": 30, + "name": "Amlodipine", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "8WE8", + "het": "6UB", + "dg": -7.055, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "Human Cav1.2 cryo-EM (8WE8) with amlodipine (6UB) in DHP blocker site" + }, + { + "id": 33, + "name": "Simvastatin", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1HW9", + "het": "SIM", + "dg": -6.727, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "Direct HMGCR-simvastatin (1HW9/SIM)" + }, + { + "id": 40, + "name": "Hydrochlorothiazide", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "3HS4", + "het": "AZM", + "dg": -5.87, + "flags": [ + "SCORE_WEAK: best pose -5.870 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MINOR: 1/9 poses outside" + ], + "fail": "", + "notes": "CA2 pocket template via acetazolamide; thiazide mechanism differs" + }, + { + "id": 44, + "name": "Hydroxychloroquine", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "4MLN", + "het": "ODV", + "dg": -5.145, + "flags": [ + "SCORE_WEAK: best pose -5.145 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "Exploratory lysosomal/endosomal template; not direct HCQ co-crystal" + }, + { + "id": 48, + "name": "Prednisone", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "1M2Z", + "het": "DEX", + "dg": -9.496, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "Glucocorticoid receptor; DEX is dexamethasone surrogate" + }, + { + "id": 49, + "name": "Acetaminophen", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "5IKT", + "het": "TLF", + "dg": -6.146, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "COX pocket template via 5IKT/TLF; acetaminophen COX mechanism debated" + }, + { + "id": 65, + "name": "Ezetimibe", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "3QNT", + "het": "EZE", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "NPC1L1-ezetimibe co-crystal (3QNT/EZE)" + }, + { + "id": 73, + "name": "Piroxicam", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "5IKT", + "het": "TLF", + "dg": -6.47, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "COX pocket via flurbiprofen template (5IKT/TLF)" + }, + { + "id": 74, + "name": "Azithromycin", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1YII", + "het": "AZI", + "dg": -3.443, + "flags": [ + "SCORE_WEAK: best pose -3.443 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MINOR: 1/9 poses outside" + ], + "fail": "", + "notes": "50S ribosome-azithromycin (1YII/AZI)" + }, + { + "id": 76, + "name": "Doxycycline", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "1HNW", + "het": "DOX", + "dg": null, + "flags": [], + "fail": "", + "notes": "30S ribosome-doxycycline (1HNW/DOX)" + }, + { + "id": 85, + "name": "Ibrutinib", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "4O5B", + "het": "PPI", + "dg": null, + "flags": [], + "fail": "", + "notes": "BTK-ibrutinib co-crystal (4O5B/PPI)" + }, + { + "id": 86, + "name": "Olaparib", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "5DS5", + "het": "OL0", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "PARP1-olaparib co-crystal (5DS5/OL0)" + }, + { + "id": 90, + "name": "Ticagrelor", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "4PY0", + "het": "TIC", + "dg": -7.792, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "P2Y12 receptor-ticagrelor co-crystal (4PY0/TIC)" + }, + { + "id": 92, + "name": "Miglitol", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "2BB0", + "het": "MIG", + "dg": -5.541, + "flags": [ + "SCORE_WEAK: best pose -5.541 kcal/mol > 閾值 -6.0" + ], + "fail": "", + "notes": "Alpha-glucosidase-miglitol co-crystal (2BB0/MIG)" + }, + { + "id": 94, + "name": "Gemfibrozil", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "1K74", + "het": "544", + "dg": -7.6, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "PPARalpha fibrate pocket via fenofibric acid analog (1K74/544)" + }, + { + "id": 95, + "name": "Allopurinol", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "3NTZ", + "het": "ALP", + "dg": -5.701, + "flags": [ + "SCORE_WEAK: best pose -5.701 kcal/mol > 閾值 -6.0" + ], + "fail": "", + "notes": "Xanthine oxidase-allopurinol analog (3NTZ/ALP)" + }, + { + "id": 96, + "name": "Febuxostat", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "3EY8", + "het": "FEB", + "dg": -5.392, + "flags": [ + "SCORE_WEAK: best pose -5.392 kcal/mol > 閾值 -6.0", + "OUT_OF_POCKET_MINOR: 2/9 poses outside" + ], + "fail": "", + "notes": "Xanthine oxidase-febuxostat co-crystal (3EY8/FEB)" + }, + { + "id": 101, + "name": "Colchicine", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "1BT6", + "het": "COL", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "Tubulin-colchicine co-crystal (1BT6/COL)" + }, + { + "id": 102, + "name": "Sulindac", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "5IKR", + "het": "ID8", + "dg": -6.246, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + { + "id": 103, + "name": "Gabapentin", + "class": "A_pipeline_fail", + "tier": "2", + "mode": "proxy", + "pdb": "5E6I", + "het": "GBP", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "Alpha2delta subunit exploratory template (5E6I); binding site debated" + }, + { + "id": 104, + "name": "Carbamazepine", + "class": "A_pipeline_fail", + "tier": "2", + "mode": "proxy", + "pdb": "5E6I", + "het": "GBP", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "Exploratory voltage-gated channel template; carbamazepine mechanism is Na+ channel" + }, + { + "id": 105, + "name": "Valproic acid", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "4LXZ", + "het": "SHH", + "dg": -4.888, + "flags": [ + "SCORE_WEAK: best pose -4.888 kcal/mol > 閾值 -6.0" + ], + "fail": "", + "notes": "HDAC pocket template via vorinostat site (4LXZ/SHH); VPA also has GABAergic mechanism" + }, + { + "id": 106, + "name": "Metronidazole", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "1MNU", + "het": "MET", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "Nitroreductase-metronidazole (1MNU/MET)" + }, + { + "id": 107, + "name": "Clindamycin", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1YHQ", + "het": "CLI", + "dg": -4.243, + "flags": [ + "SCORE_WEAK: best pose -4.243 kcal/mol > 閾值 -6.0" + ], + "fail": "", + "notes": "50S ribosome-clindamycin (1YHQ/CLI)" + }, + { + "id": 108, + "name": "Vancomycin", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1FVM", + "het": "VAN", + "dg": -2.733, + "flags": [ + "SCORE_WEAK: best pose -2.733 kcal/mol > 閾值 -6.0" + ], + "fail": "", + "notes": "Peptidoglycan-vancomycin complex (1FVM/VAN)" + }, + { + "id": 109, + "name": "Clarithromycin", + "class": "A_pipeline_fail", + "tier": "1", + "mode": "direct", + "pdb": "1YIJ", + "het": "CLR", + "dg": null, + "flags": [], + "fail": "", + "notes": "50S ribosome-clarithromycin (1YIJ/CLR)" + }, + { + "id": 118, + "name": "Clopidogrel", + "class": "B_qc_fail", + "tier": "2", + "mode": "proxy", + "pdb": "4PY0", + "het": "TIC", + "dg": -6.102, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "P2Y12 template via ticagrelor site (4PY0/TIC); clopidogrel is prodrug" + }, + { + "id": 119, + "name": "Amiodarone", + "class": "A_pipeline_fail", + "tier": "2", + "mode": "proxy", + "pdb": "5VA2", + "het": "AMI", + "dg": null, + "flags": [], + "fail": "Stage 21 無候選配體，無法確認配體身份", + "notes": "hERG channel template (5VA2/AMI); amiodarone has multi-target CV effects" + }, + { + "id": 126, + "name": "Lisinopril", + "class": "B_qc_fail", + "tier": "1", + "mode": "direct", + "pdb": "1O86", + "het": "LIS", + "dg": -8.568, + "flags": [ + "OUT_OF_POCKET_MAJORITY" + ], + "fail": "", + "notes": "ACE-lisinopril co-crystal (1O86/LIS)" + } +] \ No newline at end of file diff --git a/config/master_index.json b/config/master_index.json new file mode 100644 index 0000000000000000000000000000000000000000..dd063b22dfc05d543b5636ebd4103b474f3b0ff4 --- /dev/null +++ b/config/master_index.json @@ -0,0 +1,5347 @@ +{ + "_schema_version": "0.2", + "_comment": "MolGate Master Index — target registry for Module 1–4", + "COX2": { + "pdb_id": "5IKT", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "TLF", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "pocket_rule": "cocrystal_ligand:TLF", + "cocrystal_het": "TLF", + "override": {}, + "notes": "5IKT 共晶配體之 CCD 為 TLF（氟比洛芬）；target_drug 為實際 docking 欲測之藥物（Ibuprofen）" + }, + "COX2_CLX": { + "pdb_id": "3LN1", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "CLX", + "cocrystal_het": "CLX", + "common_name": "Celecoxib", + "target_drug": "Celecoxib", + "pocket_rule": "cocrystal_ligand:CLX", + "override": {}, + "notes": "COX2 / Celecoxib 專用條目；供 runner index_key=COX2_CLX 使用。" + }, + "NEURAMINIDASE": { + "pdb_id": "2HU4", + "allowed": true, + "state": "bound", + "family": "hydrolase", + "het_id": "G39", + "cocrystal_het": "G39", + "common_name": "Oseltamivir", + "target_drug": "Oseltamivir", + "pocket_rule": "cocrystal_ligand:G39", + "override": {}, + "notes": "Influenza neuraminidase / Oseltamivir (Tamiflu) entry for runner drug 2." + }, + "ABLABL": { + "pdb_id": "1IEP", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "STI", + "cocrystal_het": "STI", + "pocket_rule": "cocrystal_ligand:STI", + "common_name": "Imatinib", + "target_drug": "Imatinib", + "override": {}, + "notes": "BCR-ABL kinase / Imatinib entry for runner drug 3." + }, + "DHFR": { + "pdb_id": "1U72", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "MTX", + "cocrystal_het": "MTX", + "common_name": "Methotrexate", + "target_drug": "Methotrexate", + "pocket_rule": "cocrystal_ligand:MTX", + "override": {}, + "notes": "DHFR / Methotrexate entry for runner drug 4." + }, + "CYP51": { + "pdb_id": "4WMZ", + "allowed": true, + "state": "bound", + "family": "cytochrome_p450", + "het_id": "FLC", + "cocrystal_het": "FLC", + "pocket_rule": "cocrystal_ligand:FLC", + "common_name": "Fluconazole", + "target_drug": "Fluconazole", + "override": {}, + "notes": "CYP51 / Fluconazole entry for runner drug 5." + }, + "PDE5": { + "pdb_id": "2H42", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "SLD", + "cocrystal_het": "SLD", + "pocket_rule": "cocrystal_ligand:SLD", + "common_name": "Sildenafil", + "target_drug": "Sildenafil", + "override": {}, + "notes": "PDE5 / Sildenafil entry for runner drug 6." + }, + "CA2": { + "pdb_id": "3HS4", + "allowed": true, + "state": "bound", + "family": "metalloenzyme", + "het_id": "AZM", + "cocrystal_het": "AZM", + "pocket_rule": "cocrystal_ligand:AZM", + "common_name": "Acetazolamide", + "target_drug": "Acetazolamide", + "override": { + "keep_cofactors": [ + "ZN" + ] + }, + "notes": "Carbonic anhydrase II / Acetazolamide entry for runner drug 7." + }, + "EGFR": { + "pdb_id": "4WKQ", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "IRE", + "cocrystal_het": "IRE", + "pocket_rule": "cocrystal_ligand:IRE", + "common_name": "Gefitinib", + "target_drug": "Gefitinib", + "override": {}, + "notes": "EGFR kinase / Gefitinib entry for runner drug 8." + }, + "D2R_6CM4": { + "pdb_id": "6CM4", + "allowed": true, + "state": "inactive", + "family": "GPCR", + "pocket_rule": "cocrystal_ligand:RIS", + "cocrystal_het": "RIS", + "override": {}, + "notes": "D2 / risperidone complex (6CM4)" + }, + "D2R_7DFP": { + "pdb_id": "7DFP", + "allowed": true, + "state": "inactive", + "family": "GPCR", + "pocket_rule": "cocrystal_ligand:SIP", + "cocrystal_het": "SIP", + "override": {}, + "notes": "D2 / spiperone (SIP) — Nat Commun 2020; use SIP centroid for box" + }, + "D2R": { + "pdb_id": "6CM4", + "allowed": true, + "state": "inactive", + "family": "GPCR", + "pocket_rule": "cocrystal_ligand:RIS", + "cocrystal_het": "RIS", + "override": {}, + "notes": "Alias: default D2 representative 6CM4" + }, + "VKOR": { + "pdb_id": "6WV3", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "SWF", + "cocrystal_het": "SWF", + "common_name": "Warfarin", + "target_drug": "Warfarin", + "pocket_rule": "cocrystal_ligand:SWF", + "override": {}, + "notes": "人源 VKOR 與 warfarin 共晶（6WV3，Science 2021）；抑制劑於 PDB 之 CCD 為 SWF（S-warfarin）。4KP6 為 PDE4B（1S1/MG/ZN），勿混用。" + }, + "FKBP12_TACROLIMUS": { + "pdb_id": "1FKJ", + "allowed": true, + "state": "bound", + "family": "isomerase", + "het_id": "FK5", + "cocrystal_het": "FK5", + "common_name": "Tacrolimus", + "target_drug": "Tacrolimus", + "pocket_rule": "cocrystal_ligand:FK5", + "anchor_mode": "direct", + "override": {}, + "notes": "FKBP12–FK506 複合體（1FKJ）；共晶配體 CCD 為 FK5（tacrolimus）。Direct anchor，適合大環／立體化學佔據基準。" + }, + "DRD2_QUETIAPINE_PROXY": { + "pdb_id": "6CM4", + "allowed": true, + "state": "bound_proxy", + "family": "GPCR", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Quetiapine", + "target_drug": "Quetiapine", + "pocket_rule": "surrogate_antipsychotic_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "無 quetiapine 與主要 CNS 受體之直接共晶時採用之 proxy：DRD2 非典型抗精神病藥口袋（6CM4），共晶配體 CCD 8NU（非 quetiapine）。日後若有 direct cocrystal 應另建條目並停用／取代本 proxy。" + }, + "EGFR_ERLOTINIB": { + "pdb_id": "1M17", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "AQ4", + "cocrystal_het": "AQ4", + "common_name": "Erlotinib", + "target_drug": "Erlotinib", + "pocket_rule": "cocrystal_ligand:AQ4", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct EGFR-erlotinib cocrystal anchor. Low stereochemical complexity; suitable as a stable kinase benchmark." + }, + "PDE5_VARDENAFIL": { + "pdb_id": "1UDT", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "VIA", + "cocrystal_het": "VIA", + "common_name": "Vardenafil", + "target_drug": "Vardenafil", + "pocket_rule": "cocrystal_ligand:VIA", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct PDE5-vardenafil cocrystal anchor. Good family-pair benchmark with sildenafil." + }, + "FXA_APIXABAN": { + "pdb_id": "2P16", + "allowed": true, + "state": "bound", + "family": "serine_protease", + "het_id": "GG2", + "cocrystal_het": "GG2", + "common_name": "Apixaban", + "target_drug": "Apixaban", + "pocket_rule": "cocrystal_ligand:GG2", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct Factor Xa-apixaban cocrystal anchor. Low stereochemical burden; suitable for anticoagulant benchmark expansion." + }, + "FXA_RIVAROXABAN": { + "pdb_id": "2W26", + "allowed": true, + "state": "bound", + "family": "serine_protease", + "het_id": "RIV", + "cocrystal_het": "RIV", + "common_name": "Rivaroxaban", + "target_drug": "Rivaroxaban", + "pocket_rule": "cocrystal_ligand:RIV", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct Factor Xa-rivaroxaban cocrystal anchor. Good paired benchmark with apixaban under the same target family." + }, + "HDAC2_VORINOSTAT": { + "pdb_id": "4LXZ", + "allowed": true, + "state": "bound", + "family": "histone_deacetylase", + "het_id": "SHH", + "cocrystal_het": "SHH", + "common_name": "Vorinostat", + "target_drug": "Vorinostat", + "pocket_rule": "cocrystal_ligand:SHH", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct HDAC2-vorinostat (SAHA) cocrystal anchor. Good zinc-dependent HDAC benchmark with simple ligand-side handling." + }, + "ABL_NILOTINIB": { + "pdb_id": "3CS9", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "NIL", + "cocrystal_het": "NIL", + "common_name": "Nilotinib", + "target_drug": "Nilotinib", + "pocket_rule": "cocrystal_ligand:NIL", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct ABL-nilotinib cocrystal anchor. Clean second-generation kinase benchmark for the ABL family." + }, + "ABL_BOSUTINIB": { + "pdb_id": "3UE4", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "DB8", + "cocrystal_het": "DB8", + "common_name": "Bosutinib", + "target_drug": "Bosutinib", + "pocket_rule": "cocrystal_ligand:DB8", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct ABL-bosutinib cocrystal anchor. Recommended to keep ABL first for benchmark consistency before adding SRC as a separate entry." + }, + "DDR1_PONATINIB": { + "pdb_id": "3ZOS", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "0LI", + "cocrystal_het": "0LI", + "common_name": "Ponatinib", + "target_drug": "Ponatinib", + "pocket_rule": "cocrystal_ligand:0LI", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DDR1-ponatinib cocrystal anchor. Recommended as the clearest direct anchor for ponatinib before expanding to ABL/SRC variants." + }, + "PDE4D_CILOMILAST": { + "pdb_id": "1XOM", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "CIO", + "cocrystal_het": "CIO", + "common_name": "Cilomilast", + "target_drug": "Cilomilast", + "pocket_rule": "cocrystal_ligand:CIO", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct PDE4D-cilomilast cocrystal anchor. Good PDE4 family benchmark with clear pocket logic and low stereochemical burden." + }, + "PDE4D_ROFLUMILAST": { + "pdb_id": "3G4L", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "ROF", + "cocrystal_het": "ROF", + "common_name": "Roflumilast", + "target_drug": "Roflumilast", + "pocket_rule": "cocrystal_ligand:ROF", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct PDE4D-roflumilast cocrystal anchor. Recommended as a clean paired benchmark with cilomilast in the PDE4 family." + }, + "DPP4_ALOGLIPTIN": { + "drug_id": 23, + "drug_name": "Alogliptin", + "pdb_id": "2ONC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "DPP4", + "het_id": "SY1", + "cocrystal_het": "SY1", + "common_name": "Alogliptin", + "target_drug": "Alogliptin", + "pocket_rule": "cocrystal_ligand:SY1", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-alogliptin cocrystal anchor. Production index should use SY1 for 2ONC because the pocket ligand was resolved and selected as SY1 chain A." + }, + "DPP4_LINAGLIPTIN": { + "pdb_id": "2RGU", + "allowed": true, + "state": "bound", + "family": "serine_protease", + "het_id": "356", + "cocrystal_het": "356", + "common_name": "Linagliptin", + "target_drug": "Linagliptin", + "pocket_rule": "cocrystal_ligand:356", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-linagliptin cocrystal anchor. Good paired DPP4 benchmark with alogliptin." + }, + "TUBULIN": { + "pdb_id": "1SA0", + "allowed": true, + "state": "bound", + "family": "tubulin", + "common_name": "Tubulin", + "target_drug": "CustomLigand", + "pocket_rule": "auto_detect", + "override": {}, + "notes": "1SA0 α/β-tubulin；結構含 GTP/MG（核苷酸位）。自設小分子 docking 用 auto_detect 定口袋；M3 Engine B Stage 15 需勾選 GTP/MG 保留或移除。" + }, + "AMPK_METFORMIN_PROXY": { + "drug_id": 25, + "drug_name": "Metformin", + "pdb_id": "4CFE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "AMPK", + "het_id": "992", + "cocrystal_het": "992", + "common_name": "Metformin", + "target_drug": "Metformin", + "pocket_rule": "surrogate_activator_ligand:992", + "anchor_mode": "proxy", + "override": {}, + "notes": "無 metformin–AMPK 直接共晶時採用之 proxy：human AMPK（4CFE）ADaM 小分子活化劑口袋，共晶配體 CCD 992（非 metformin）。Metformin 主要經 lysosomal/Complex I 路徑調控 AMPK，本條目僅供結構化 docking 探索，勿當 direct benchmark。" + }, + "SITAGLIPTIN_DPP4": { + "drug_id": 26, + "drug_name": "Sitagliptin", + "pdb_id": "1X70", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "DPP4", + "het_id": "715", + "cocrystal_het": "715", + "common_name": "Sitagliptin", + "target_drug": "Sitagliptin", + "pocket_rule": "cocrystal_ligand:715", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-sitagliptin cocrystal anchor (1X70). Third DPP4 gliptin benchmark alongside alogliptin and linagliptin." + }, + "ATORVASTATIN_HMGCR_PROXY": { + "drug_id": 27, + "drug_name": "Atorvastatin", + "pdb_id": "1HWK", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "117", + "cocrystal_het": "117", + "common_name": "Atorvastatin", + "target_drug": "Atorvastatin", + "pocket_rule": "cocrystal_ligand:117", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct HMG-CoA reductase–atorvastatin cocrystal (1HWK). Index key retains _PROXY suffix from early catalog naming; anchor is direct." + }, + "ASPIRIN_COX2": { + "drug_id": 28, + "drug_name": "Aspirin", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Aspirin", + "target_drug": "Aspirin", + "pocket_rule": "cocrystal_ligand:TLF", + "anchor_mode": "direct", + "override": {}, + "notes": "COX-2 NSAID pocket via 5IKT flurbiprofen (TLF) template; dock aspirin into the same pocket as Ibuprofen (COX2 entry)." + }, + "OMEPRAZOLE_CYP2C19": { + "drug_id": 29, + "drug_name": "Omeprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Omeprazole", + "target_drug": "Omeprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 active site (4GQS). Co-crystal ligand 0XV is a benzofuran inhibitor, not omeprazole; omeprazole is a CYP2C19 substrate—use pocket template only." + }, + "AMLODIPINE_CACNA1C_PROXY": { + "drug_id": 30, + "drug_name": "Amlodipine", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Amlodipine", + "target_drug": "Amlodipine", + "pocket_rule": "cocrystal_ligand:6UB", + "anchor_mode": "direct", + "override": {}, + "notes": "Human Cav1.2 (CACNA1C) cryo-EM structure 8WE8 with amlodipine (6UB) in the DHP blocker site. Index key retains _PROXY from early catalog; anchor is direct." + }, + "LOSARTAN_AT1R_PROXY": { + "drug_id": 31, + "drug_name": "Losartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Losartan", + "target_drug": "Losartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); co-crystal OLM is olmesartan, not losartan" + }, + "ROSUVASTATIN_HMGCR": { + "drug_id": 32, + "drug_name": "Rosuvastatin", + "pdb_id": "3B7Q", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "6PL", + "cocrystal_het": "6PL", + "common_name": "Rosuvastatin", + "target_drug": "Rosuvastatin", + "pocket_rule": "cocrystal_ligand:6PL", + "anchor_mode": "direct", + "override": {}, + "notes": "HMG-CoA reductase rosuvastatin analog (3B7Q/6PL)" + }, + "SIMVASTATIN_HMGCR": { + "drug_id": 33, + "drug_name": "Simvastatin", + "pdb_id": "1HW9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "SIM", + "cocrystal_het": "SIM", + "common_name": "Simvastatin", + "target_drug": "Simvastatin", + "pocket_rule": "cocrystal_ligand:SIM", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct HMGCR-simvastatin (1HW9/SIM)" + }, + "PIOGLITAZONE_PPARgamma_PROXY": { + "drug_id": 34, + "drug_name": "Pioglitazone", + "pdb_id": "2PRG", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARG", + "het_id": "BRL", + "cocrystal_het": "BRL", + "common_name": "Pioglitazone", + "target_drug": "Pioglitazone", + "pocket_rule": "surrogate_tzd_ligand:BRL", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARgamma TZD scaffold (2PRG/BRL), not pioglitazone co-crystal" + }, + "EMPAGLIFLOZIN_SGLT2": { + "drug_id": 35, + "drug_name": "Empagliflozin", + "pdb_id": "7VSI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SGLT2", + "het_id": "7R3", + "cocrystal_het": "7R3", + "common_name": "Empagliflozin", + "target_drug": "Empagliflozin", + "pocket_rule": "cocrystal_ligand:7R3", + "anchor_mode": "direct", + "override": {}, + "notes": "SGLT2 inhibitor bound state (7VSI/7R3)" + }, + "SAXAGLIPTIN_DPP4": { + "drug_id": 36, + "drug_name": "Saxagliptin", + "pdb_id": "3C43", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "DPP4", + "het_id": "315", + "cocrystal_het": "315", + "common_name": "Saxagliptin", + "target_drug": "Saxagliptin", + "pocket_rule": "cocrystal_ligand:315", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-saxagliptin analog (3C43/315)" + }, + "LANSOPRAZOLE_CYP2C19": { + "drug_id": 37, + "drug_name": "Lansoprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Lansoprazole", + "target_drug": "Lansoprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 template; 0XV is inhibitor not lansoprazole" + }, + "METOPROLOL_ADRB1_PROXY": { + "drug_id": 38, + "drug_name": "Metoprolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Metoprolol", + "target_drug": "Metoprolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate" + }, + "FENOFIBRATE_PPARalpha": { + "drug_id": 39, + "drug_name": "Fenofibrate", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Fenofibrate", + "target_drug": "Fenofibrate", + "pocket_rule": "cocrystal_ligand:544", + "anchor_mode": "direct", + "override": {}, + "notes": "PPARalpha fenofibric acid analog (1K74/544)" + }, + "HYDROCHLOROTHIAZIDE_CA2_PROXY": { + "drug_id": 40, + "drug_name": "Hydrochlorothiazide", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloenzyme", + "target": "CA2", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Hydrochlorothiazide", + "target_drug": "Hydrochlorothiazide", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "CA2 pocket template via acetazolamide; thiazide mechanism differs" + }, + "DICLOFENAC_COX2": { + "drug_id": 41, + "drug_name": "Diclofenac", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Diclofenac", + "target_drug": "Diclofenac", + "pocket_rule": "cocrystal_ligand:ID8", + "anchor_mode": "direct", + "override": {}, + "notes": "COX-2 diclofenac analog co-crystal (5IKR/ID8)" + }, + "NAPROXEN_COX2": { + "drug_id": 42, + "drug_name": "Naproxen", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Naproxen", + "target_drug": "Naproxen", + "pocket_rule": "cocrystal_ligand:TLF", + "anchor_mode": "direct", + "override": {}, + "notes": "NSAID pocket via 5IKT/TLF template; naproxen is not co-crystal ligand" + }, + "MELOXICAM_COX2_PROXY": { + "drug_id": 43, + "drug_name": "Meloxicam", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Meloxicam", + "target_drug": "Meloxicam", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + "HYDROXYCHLOROQUINE_LYSO_PROXY": { + "drug_id": 44, + "drug_name": "Hydroxychloroquine", + "pdb_id": "4MLN", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane", + "target": "LYSOSOMAL", + "het_id": "ODV", + "cocrystal_het": "ODV", + "common_name": "Hydroxychloroquine", + "target_drug": "Hydroxychloroquine", + "pocket_rule": "surrogate_lysosomal_ligand:ODV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory lysosomal/endosomal template; not direct HCQ co-crystal" + }, + "MONTELUKAST_CYSLT1_PROXY": { + "drug_id": 45, + "drug_name": "Montelukast", + "pdb_id": "6RZ4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "CYSLT1", + "het_id": "KNT", + "cocrystal_het": "KNT", + "common_name": "Montelukast", + "target_drug": "Montelukast", + "pocket_rule": "surrogate_cyslt_ligand:KNT", + "anchor_mode": "proxy", + "override": {}, + "notes": "CysLT receptor; KNT is pranlukast surrogate (6RZ4)" + }, + "ALBUTEROL_ADRB2_PROXY": { + "drug_id": 46, + "drug_name": "Albuterol", + "pdb_id": "2Y00", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB2", + "het_id": "Y00", + "cocrystal_het": "Y00", + "common_name": "Albuterol", + "target_drug": "Albuterol", + "pocket_rule": "surrogate_beta2_ligand:Y00", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-2 receptor; Y00 is dobutamine surrogate (2Y00)" + }, + "CIPROFLOXACIN_GYRASE": { + "drug_id": 47, + "drug_name": "Ciprofloxacin", + "pdb_id": "2XCT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "DNA_GYRASE", + "het_id": "CPF", + "cocrystal_het": "CPF", + "common_name": "Ciprofloxacin", + "target_drug": "Ciprofloxacin", + "pocket_rule": "cocrystal_ligand:CPF", + "anchor_mode": "direct", + "override": {}, + "notes": "DNA gyrase-ciprofloxacin (2XCT/CPF)" + }, + "PREDNISONE_NR3C1_PROXY": { + "drug_id": 48, + "drug_name": "Prednisone", + "pdb_id": "1M2Z", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "NR3C1", + "het_id": "DEX", + "cocrystal_het": "DEX", + "common_name": "Prednisone", + "target_drug": "Prednisone", + "pocket_rule": "surrogate_glucocorticoid_ligand:DEX", + "anchor_mode": "proxy", + "override": {}, + "notes": "Glucocorticoid receptor; DEX is dexamethasone surrogate" + }, + "ACETAMINOPHEN_COX2_PROXY": { + "drug_id": 49, + "drug_name": "Acetaminophen", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Acetaminophen", + "target_drug": "Acetaminophen", + "pocket_rule": "surrogate_nsaid_ligand:TLF", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX pocket template via 5IKT/TLF; acetaminophen COX mechanism debated" + }, + "FLUOXETINE_SERT_PROXY": { + "drug_id": 50, + "drug_name": "Fluoxetine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Fluoxetine", + "target_drug": "Fluoxetine", + "pocket_rule": "surrogate_ssri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template; 8PR is paroxetine surrogate (5I6X)" + }, + "DASATINIB_ABL": { + "drug_id": 51, + "drug_name": "Dasatinib", + "pdb_id": "2GQG", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ABL", + "het_id": "1N1", + "cocrystal_het": "1N1", + "common_name": "Dasatinib", + "target_drug": "Dasatinib", + "pocket_rule": "cocrystal_ligand:1N1", + "anchor_mode": "direct", + "override": {}, + "notes": "ABL-dasatinib co-crystal (2GQG/1N1)" + }, + "SUNITINIB_VEGFR2": { + "drug_id": 52, + "drug_name": "Sunitinib", + "pdb_id": "3G5E", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "Q74", + "cocrystal_het": "Q74", + "common_name": "Sunitinib", + "target_drug": "Sunitinib", + "pocket_rule": "cocrystal_ligand:Q74", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-sunitinib analog (3G5E/Q74)" + }, + "LAPATINIB_EGFR": { + "drug_id": 53, + "drug_name": "Lapatinib", + "pdb_id": "1XKK", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "FMM", + "cocrystal_het": "FMM", + "common_name": "Lapatinib", + "target_drug": "Lapatinib", + "pocket_rule": "cocrystal_ligand:FMM", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-lapatinib (1XKK/FMM)" + }, + "PALBOCICLIB_CDK6": { + "drug_id": 54, + "drug_name": "Palbociclib", + "pdb_id": "5L2I", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "CDK6", + "het_id": "LQQ", + "cocrystal_het": "LQQ", + "common_name": "Palbociclib", + "target_drug": "Palbociclib", + "pocket_rule": "cocrystal_ligand:LQQ", + "anchor_mode": "direct", + "override": {}, + "notes": "CDK6-palbociclib (5L2I/LQQ)" + }, + "TRAMETINIB_MEK1": { + "drug_id": 55, + "drug_name": "Trametinib", + "pdb_id": "7JUX", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MEK1", + "het_id": "QOM", + "cocrystal_het": "QOM", + "common_name": "Trametinib", + "target_drug": "Trametinib", + "pocket_rule": "cocrystal_ligand:QOM", + "anchor_mode": "direct", + "override": {}, + "notes": "MEK1-trametinib (7JUX/QOM)" + }, + "LETROZOLE_CYP19": { + "drug_id": 56, + "drug_name": "Letrozole", + "pdb_id": "1E3Q", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP19A1", + "het_id": "EBW", + "cocrystal_het": "EBW", + "common_name": "Letrozole", + "target_drug": "Letrozole", + "pocket_rule": "cocrystal_ligand:EBW", + "anchor_mode": "direct", + "override": {}, + "notes": "Aromatase-letrozole analog (1E3Q/EBW)" + }, + "ANASTROZOLE_CYP19": { + "drug_id": 57, + "drug_name": "Anastrozole", + "pdb_id": "3S7S", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP19A1", + "het_id": "EXM", + "cocrystal_het": "EXM", + "common_name": "Anastrozole", + "target_drug": "Anastrozole", + "pocket_rule": "cocrystal_ligand:EXM", + "anchor_mode": "direct", + "override": {}, + "notes": "Aromatase-anastrozole (3S7S/EXM)" + }, + "VENETOCLAX_BCL2": { + "drug_id": 58, + "drug_name": "Venetoclax", + "pdb_id": "6O0K", + "allowed": true, + "status": "active", + "state": "bound", + "family": "apoptosis_regulator", + "target": "BCL2", + "het_id": "LBM", + "cocrystal_het": "LBM", + "common_name": "Venetoclax", + "target_drug": "Venetoclax", + "pocket_rule": "cocrystal_ligand:LBM", + "anchor_mode": "direct", + "override": {}, + "notes": "BCL2-venetoclax (6O0K/LBM)" + }, + "DABRAFENIB_BRAF": { + "drug_id": 59, + "drug_name": "Dabrafenib", + "pdb_id": "4XV2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BRAF", + "het_id": "P06", + "cocrystal_het": "P06", + "common_name": "Dabrafenib", + "target_drug": "Dabrafenib", + "pocket_rule": "cocrystal_ligand:P06", + "anchor_mode": "direct", + "override": {}, + "notes": "BRAF-dabrafenib (4XV2/P06)" + }, + "CARVEDILOL_ADRB1_PROXY": { + "drug_id": 60, + "drug_name": "Carvedilol", + "pdb_id": "2Y03", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "5FW", + "cocrystal_het": "5FW", + "common_name": "Carvedilol", + "target_drug": "Carvedilol", + "pocket_rule": "surrogate_beta1_ligand:5FW", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 receptor; 5FW is isoproterenol surrogate (2Y03)" + }, + "GLIPIZIDE_KATP_PROXY": { + "drug_id": 61, + "drug_name": "Glipizide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Glipizide", + "target_drug": "Glipizide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ)" + }, + "REPAGLINIDE_KATP": { + "drug_id": 62, + "drug_name": "Repaglinide", + "pdb_id": "3VE0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "KATP", + "het_id": "REP", + "cocrystal_het": "REP", + "common_name": "Repaglinide", + "target_drug": "Repaglinide", + "pocket_rule": "cocrystal_ligand:REP", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct KATP-repaglinide co-crystal (3VE0/REP)" + }, + "CANAGLIFLOZIN_SGLT2": { + "drug_id": 63, + "drug_name": "Canagliflozin", + "pdb_id": "7VSL", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SGLT2", + "het_id": "5ZI", + "cocrystal_het": "5ZI", + "common_name": "Canagliflozin", + "target_drug": "Canagliflozin", + "pocket_rule": "cocrystal_ligand:5ZI", + "anchor_mode": "direct", + "override": {}, + "notes": "SGLT2-canagliflozin bound state (7VSL/5ZI)" + }, + "DAPAGLIFLOZIN_SGLT2": { + "drug_id": 64, + "drug_name": "Dapagliflozin", + "pdb_id": "6VBL", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SGLT2", + "het_id": "DAP", + "cocrystal_het": "DAP", + "common_name": "Dapagliflozin", + "target_drug": "Dapagliflozin", + "pocket_rule": "cocrystal_ligand:DAP", + "anchor_mode": "direct", + "override": {}, + "notes": "SGLT2-dapagliflozin co-crystal (6VBL/DAP)" + }, + "EZETIMIBE_NPC1L1": { + "drug_id": 65, + "drug_name": "Ezetimibe", + "pdb_id": "3QNT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "NPC1L1", + "het_id": "EZE", + "cocrystal_het": "EZE", + "common_name": "Ezetimibe", + "target_drug": "Ezetimibe", + "pocket_rule": "cocrystal_ligand:EZE", + "anchor_mode": "direct", + "override": {}, + "notes": "NPC1L1-ezetimibe co-crystal (3QNT/EZE)" + }, + "PRAVASTATIN_HMGCR_PROXY": { + "drug_id": 66, + "drug_name": "Pravastatin", + "pdb_id": "1HW9", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "SIM", + "cocrystal_het": "SIM", + "common_name": "Pravastatin", + "target_drug": "Pravastatin", + "pocket_rule": "surrogate_statin_ligand:SIM", + "anchor_mode": "proxy", + "override": {}, + "notes": "HMGCR statin pocket via simvastatin site (1HW9/SIM); pravastatin not co-crystal ligand" + }, + "LOVASTATIN_HMGCR": { + "drug_id": 67, + "drug_name": "Lovastatin", + "pdb_id": "1HW8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "MVA", + "cocrystal_het": "MVA", + "common_name": "Lovastatin", + "target_drug": "Lovastatin", + "pocket_rule": "cocrystal_ligand:MVA", + "anchor_mode": "direct", + "override": {}, + "notes": "HMGCR-mevastatin/lovastatin family co-crystal (1HW8/MVA)" + }, + "VALSARTAN_AT1R_PROXY": { + "drug_id": 68, + "drug_name": "Valsartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Valsartan", + "target_drug": "Valsartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); OLM is olmesartan surrogate, not valsartan" + }, + "SPIRONOLACTONE_NR3C2": { + "drug_id": 69, + "drug_name": "Spironolactone", + "pdb_id": "2AA2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "NR3C2", + "het_id": "SPI", + "cocrystal_het": "SPI", + "common_name": "Spironolactone", + "target_drug": "Spironolactone", + "pocket_rule": "cocrystal_ligand:SPI", + "anchor_mode": "direct", + "override": {}, + "notes": "Mineralocorticoid receptor-spironolactone (2AA2/SPI)" + }, + "PROPRANOLOL_ADRB1_PROXY": { + "drug_id": 70, + "drug_name": "Propranolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Propranolol", + "target_drug": "Propranolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02)" + }, + "INDOMETHACIN_COX2_PROXY": { + "drug_id": 71, + "drug_name": "Indomethacin", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Indomethacin", + "target_drug": "Indomethacin", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + "KETOROLAC_COX2": { + "drug_id": 72, + "drug_name": "Ketorolac", + "pdb_id": "1Q4G", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "KRL", + "cocrystal_het": "KRL", + "common_name": "Ketorolac", + "target_drug": "Ketorolac", + "pocket_rule": "cocrystal_ligand:KRL", + "anchor_mode": "direct", + "override": {}, + "notes": "COX-2-ketorolac co-crystal (1Q4G/KRL)" + }, + "PIROXICAM_COX2_PROXY": { + "drug_id": 73, + "drug_name": "Piroxicam", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Piroxicam", + "target_drug": "Piroxicam", + "pocket_rule": "surrogate_nsaid_ligand:TLF", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX pocket via flurbiprofen template (5IKT/TLF)" + }, + "AZITHROMYCIN_RIBOSOME": { + "drug_id": 74, + "drug_name": "Azithromycin", + "pdb_id": "1YII", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "AZI", + "cocrystal_het": "AZI", + "common_name": "Azithromycin", + "target_drug": "Azithromycin", + "pocket_rule": "cocrystal_ligand:AZI", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-azithromycin (1YII/AZI)" + }, + "AMOXICILLIN_PBP_PROXY": { + "drug_id": 75, + "drug_name": "Amoxicillin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Amoxicillin", + "target_drug": "Amoxicillin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "Penicillin-binding protein template; PG2 is penicillin G surrogate (1PWP)" + }, + "DOXYCYCLINE_RIBOSOME": { + "drug_id": 76, + "drug_name": "Doxycycline", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Doxycycline", + "target_drug": "Doxycycline", + "pocket_rule": "cocrystal_ligand:DOX", + "anchor_mode": "direct", + "override": {}, + "notes": "30S ribosome-doxycycline (1HNW/DOX)" + }, + "LEVOFLOXACIN_GYRASE": { + "drug_id": 77, + "drug_name": "Levofloxacin", + "pdb_id": "2XCT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "DNA_GYRASE", + "het_id": "CPF", + "cocrystal_het": "CPF", + "common_name": "Levofloxacin", + "target_drug": "Levofloxacin", + "pocket_rule": "surrogate_fluoroquinolone_ligand:CPF", + "anchor_mode": "proxy", + "override": {}, + "notes": "DNA gyrase fluoroquinolone pocket via ciprofloxacin (2XCT/CPF)" + }, + "TRIMETHOPRIM_DHFR": { + "drug_id": 78, + "drug_name": "Trimethoprim", + "pdb_id": "2W9G", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "DHFR", + "het_id": "TMP", + "cocrystal_het": "TMP", + "common_name": "Trimethoprim", + "target_drug": "Trimethoprim", + "pocket_rule": "cocrystal_ligand:TMP", + "anchor_mode": "direct", + "override": {}, + "notes": "DHFR-trimethoprim co-crystal (2W9G/TMP)" + }, + "SERTRALINE_SERT_PROXY": { + "drug_id": 79, + "drug_name": "Sertraline", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Sertraline", + "target_drug": "Sertraline", + "pocket_rule": "surrogate_ssri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template; 8PR is paroxetine surrogate (5I6X)" + }, + "PAROXETINE_SERT": { + "drug_id": 80, + "drug_name": "Paroxetine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Paroxetine", + "target_drug": "Paroxetine", + "pocket_rule": "cocrystal_ligand:8PR", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct SERT-paroxetine co-crystal (5I6X/8PR)" + }, + "OSIMERTINIB_EGFR": { + "drug_id": 81, + "drug_name": "Osimertinib", + "pdb_id": "5XGN", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "OSS", + "cocrystal_het": "OSS", + "common_name": "Osimertinib", + "target_drug": "Osimertinib", + "pocket_rule": "cocrystal_ligand:OSS", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-osimertinib co-crystal (5XGN/OSS)" + }, + "AFATINIB_EGFR": { + "drug_id": 82, + "drug_name": "Afatinib", + "pdb_id": "4G5J", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "AFT", + "cocrystal_het": "AFT", + "common_name": "Afatinib", + "target_drug": "Afatinib", + "pocket_rule": "cocrystal_ligand:AFT", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-afatinib co-crystal (4G5J/AFT)" + }, + "SORAFENIB_BRAF": { + "drug_id": 83, + "drug_name": "Sorafenib", + "pdb_id": "3OG7", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BRAF", + "het_id": "SOR", + "cocrystal_het": "SOR", + "common_name": "Sorafenib", + "target_drug": "Sorafenib", + "pocket_rule": "cocrystal_ligand:SOR", + "anchor_mode": "direct", + "override": {}, + "notes": "BRAF-sorafenib co-crystal (3OG7/SOR)" + }, + "CABOZANTINIB_MET": { + "drug_id": 84, + "drug_name": "Cabozantinib", + "pdb_id": "4O1B", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MET", + "het_id": "X87", + "cocrystal_het": "X87", + "common_name": "Cabozantinib", + "target_drug": "Cabozantinib", + "pocket_rule": "cocrystal_ligand:X87", + "anchor_mode": "direct", + "override": {}, + "notes": "MET kinase-cabozantinib analog (4O1B/X87)" + }, + "IBRUTINIB_BTK": { + "drug_id": 85, + "drug_name": "Ibrutinib", + "pdb_id": "4O5B", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BTK", + "het_id": "PPI", + "cocrystal_het": "PPI", + "common_name": "Ibrutinib", + "target_drug": "Ibrutinib", + "pocket_rule": "cocrystal_ligand:PPI", + "anchor_mode": "direct", + "override": {}, + "notes": "BTK-ibrutinib co-crystal (4O5B/PPI)" + }, + "OLAPARIB_PARP": { + "drug_id": 86, + "drug_name": "Olaparib", + "pdb_id": "5DS5", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "PARP1", + "het_id": "OL0", + "cocrystal_het": "OL0", + "common_name": "Olaparib", + "target_drug": "Olaparib", + "pocket_rule": "cocrystal_ligand:OL0", + "anchor_mode": "direct", + "override": {}, + "notes": "PARP1-olaparib co-crystal (5DS5/OL0)" + }, + "RUXOLITINIB_JAK2": { + "drug_id": 87, + "drug_name": "Ruxolitinib", + "pdb_id": "4IVC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "JAK2", + "het_id": "RUX", + "cocrystal_het": "RUX", + "common_name": "Ruxolitinib", + "target_drug": "Ruxolitinib", + "pocket_rule": "cocrystal_ligand:RUX", + "anchor_mode": "direct", + "override": {}, + "notes": "JAK2-ruxolitinib co-crystal (4IVC/RUX)" + }, + "ENZALUTAMIDE_AR": { + "drug_id": 88, + "drug_name": "Enzalutamide", + "pdb_id": "3R5W", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "AR", + "het_id": "ENZ", + "cocrystal_het": "ENZ", + "common_name": "Enzalutamide", + "target_drug": "Enzalutamide", + "pocket_rule": "cocrystal_ligand:ENZ", + "anchor_mode": "direct", + "override": {}, + "notes": "Androgen receptor-enzalutamide (3R5W/ENZ)" + }, + "TAMOXIFEN_ESR1": { + "drug_id": 89, + "drug_name": "Tamoxifen", + "pdb_id": "3ERT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "4HT", + "cocrystal_het": "4HT", + "common_name": "Tamoxifen", + "target_drug": "Tamoxifen", + "pocket_rule": "surrogate_estrogen_ligand:4HT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Estrogen receptor template; 4HT is 4-hydroxytamoxifen surrogate (3ERT)" + }, + "TICAGRELOR_P2Y12": { + "drug_id": 90, + "drug_name": "Ticagrelor", + "pdb_id": "4PY0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "P2Y12", + "het_id": "TIC", + "cocrystal_het": "TIC", + "common_name": "Ticagrelor", + "target_drug": "Ticagrelor", + "pocket_rule": "cocrystal_ligand:TIC", + "anchor_mode": "direct", + "override": {}, + "notes": "P2Y12 receptor-ticagrelor co-crystal (4PY0/TIC)" + }, + "GLIMEPIRIDE_KATP_PROXY": { + "drug_id": 91, + "drug_name": "Glimepiride", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Glimepiride", + "target_drug": "Glimepiride", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ)" + }, + "MIGLITOL_GLUCOSIDASE": { + "drug_id": 92, + "drug_name": "Miglitol", + "pdb_id": "2BB0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "ALPHA_GLUCOSIDASE", + "het_id": "MIG", + "cocrystal_het": "MIG", + "common_name": "Miglitol", + "target_drug": "Miglitol", + "pocket_rule": "cocrystal_ligand:MIG", + "anchor_mode": "direct", + "override": {}, + "notes": "Alpha-glucosidase-miglitol co-crystal (2BB0/MIG)" + }, + "ACARBOSE_GLUCOSIDASE": { + "drug_id": 93, + "drug_name": "Acarbose", + "pdb_id": "2QV4", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "ALPHA_GLUCOSIDASE", + "het_id": "ACA", + "cocrystal_het": "ACA", + "common_name": "Acarbose", + "target_drug": "Acarbose", + "pocket_rule": "cocrystal_ligand:ACA", + "anchor_mode": "direct", + "override": {}, + "notes": "Maltase-acarbose co-crystal (2QV4/ACA)" + }, + "GEMFIBROZIL_PPARalpha_PROXY": { + "drug_id": 94, + "drug_name": "Gemfibrozil", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Gemfibrozil", + "target_drug": "Gemfibrozil", + "pocket_rule": "surrogate_fibrate_ligand:544", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARalpha fibrate pocket via fenofibric acid analog (1K74/544)" + }, + "ALLOPURINOL_XDH": { + "drug_id": 95, + "drug_name": "Allopurinol", + "pdb_id": "3NTZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "XDH", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Allopurinol", + "target_drug": "Allopurinol", + "pocket_rule": "cocrystal_ligand:ALP", + "anchor_mode": "direct", + "override": {}, + "notes": "Xanthine oxidase-allopurinol analog (3NTZ/ALP)" + }, + "FEBUXOSTAT_XDH": { + "drug_id": 96, + "drug_name": "Febuxostat", + "pdb_id": "3EY8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "XDH", + "het_id": "FEB", + "cocrystal_het": "FEB", + "common_name": "Febuxostat", + "target_drug": "Febuxostat", + "pocket_rule": "cocrystal_ligand:FEB", + "anchor_mode": "direct", + "override": {}, + "notes": "Xanthine oxidase-febuxostat co-crystal (3EY8/FEB)" + }, + "BISOPROLOL_ADRB1_PROXY": { + "drug_id": 97, + "drug_name": "Bisoprolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Bisoprolol", + "target_drug": "Bisoprolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02)" + }, + "NIFEDIPINE_CACNA1C": { + "drug_id": 98, + "drug_name": "Nifedipine", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Nifedipine", + "target_drug": "Nifedipine", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB); nifedipine not co-crystal ligand" + }, + "VERAPAMIL_CACNA1C_PROXY": { + "drug_id": 99, + "drug_name": "Verapamil", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Verapamil", + "target_drug": "Verapamil", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 channel template; phenylalkylamine mechanism differs from DHP site" + }, + "PANTOPRAZOLE_CYP2C19_PROXY": { + "drug_id": 100, + "drug_name": "Pantoprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Pantoprazole", + "target_drug": "Pantoprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not pantoprazole" + }, + "COLCHICINE_TUBULIN": { + "drug_id": 101, + "drug_name": "Colchicine", + "pdb_id": "1BT6", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytoskeletal", + "target": "TUBULIN", + "het_id": "COL", + "cocrystal_het": "COL", + "common_name": "Colchicine", + "target_drug": "Colchicine", + "pocket_rule": "cocrystal_ligand:COL", + "anchor_mode": "direct", + "override": {}, + "notes": "Tubulin-colchicine co-crystal (1BT6/COL)" + }, + "SULINDAC_COX2_PROXY": { + "drug_id": 102, + "drug_name": "Sulindac", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Sulindac", + "target_drug": "Sulindac", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + "GABAPENTIN_CACNA2D_PROXY": { + "drug_id": 103, + "drug_name": "Gabapentin", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA2D", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Gabapentin", + "target_drug": "Gabapentin", + "pocket_rule": "surrogate_gabapentinoid_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha2delta subunit exploratory template (5E6I); binding site debated" + }, + "CARBAMAZEPINE_NAV_PROXY": { + "drug_id": 104, + "drug_name": "Carbamazepine", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "SCN", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Carbamazepine", + "target_drug": "Carbamazepine", + "pocket_rule": "surrogate_anticonvulsant_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory voltage-gated channel template; carbamazepine mechanism is Na+ channel" + }, + "VALPROIC_ACID_HDAC_PROXY": { + "drug_id": 105, + "drug_name": "Valproic acid", + "pdb_id": "4LXZ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "histone_deacetylase", + "target": "HDAC", + "het_id": "SHH", + "cocrystal_het": "SHH", + "common_name": "Valproic acid", + "target_drug": "Valproic acid", + "pocket_rule": "surrogate_hdac_ligand:SHH", + "anchor_mode": "proxy", + "override": {}, + "notes": "HDAC pocket template via vorinostat site (4LXZ/SHH); VPA also has GABAergic mechanism" + }, + "METRONIDAZOLE_NITROREDUCTASE": { + "drug_id": 106, + "drug_name": "Metronidazole", + "pdb_id": "1MNU", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "NITROREDUCTASE", + "het_id": "MET", + "cocrystal_het": "MET", + "common_name": "Metronidazole", + "target_drug": "Metronidazole", + "pocket_rule": "cocrystal_ligand:MET", + "anchor_mode": "direct", + "override": {}, + "notes": "Nitroreductase-metronidazole (1MNU/MET)" + }, + "CLINDAMYCIN_RIBOSOME": { + "drug_id": 107, + "drug_name": "Clindamycin", + "pdb_id": "1YHQ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "CLI", + "cocrystal_het": "CLI", + "common_name": "Clindamycin", + "target_drug": "Clindamycin", + "pocket_rule": "cocrystal_ligand:CLI", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-clindamycin (1YHQ/CLI)" + }, + "VANCOMYCIN_PBP": { + "drug_id": 108, + "drug_name": "Vancomycin", + "pdb_id": "1FVM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "PBP", + "het_id": "VAN", + "cocrystal_het": "VAN", + "common_name": "Vancomycin", + "target_drug": "Vancomycin", + "pocket_rule": "cocrystal_ligand:VAN", + "anchor_mode": "direct", + "override": {}, + "notes": "Peptidoglycan-vancomycin complex (1FVM/VAN)" + }, + "CLARITHROMYCIN_RIBOSOME": { + "drug_id": 109, + "drug_name": "Clarithromycin", + "pdb_id": "1YIJ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "CLR", + "cocrystal_het": "CLR", + "common_name": "Clarithromycin", + "target_drug": "Clarithromycin", + "pocket_rule": "cocrystal_ligand:CLR", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-clarithromycin (1YIJ/CLR)" + }, + "RIFAMPIN_RNAP": { + "drug_id": 110, + "drug_name": "Rifampin", + "pdb_id": "5UAC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "RNAP", + "het_id": "RFP", + "cocrystal_het": "RFP", + "common_name": "Rifampin", + "target_drug": "Rifampin", + "pocket_rule": "cocrystal_ligand:RFP", + "anchor_mode": "direct", + "override": {}, + "notes": "RNA polymerase-rifampin (5UAC/RFP)" + }, + "REGORAFENIB_BRAF": { + "drug_id": 111, + "drug_name": "Regorafenib", + "pdb_id": "4RT7", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BRAF", + "het_id": "RGF", + "cocrystal_het": "RGF", + "common_name": "Regorafenib", + "target_drug": "Regorafenib", + "pocket_rule": "cocrystal_ligand:RGF", + "anchor_mode": "direct", + "override": {}, + "notes": "BRAF-regorafenib co-crystal (4RT7/RGF)" + }, + "LENVATINIB_VEGFR2": { + "drug_id": 112, + "drug_name": "Lenvatinib", + "pdb_id": "4UQI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "LVN", + "cocrystal_het": "LVN", + "common_name": "Lenvatinib", + "target_drug": "Lenvatinib", + "pocket_rule": "cocrystal_ligand:LVN", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-lenvatinib co-crystal (4UQI/LVN)" + }, + "AXITINIB_VEGFR2": { + "drug_id": 113, + "drug_name": "Axitinib", + "pdb_id": "4AGC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "AXN", + "cocrystal_het": "AXN", + "common_name": "Axitinib", + "target_drug": "Axitinib", + "pocket_rule": "cocrystal_ligand:AXN", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-axitinib co-crystal (4AGC/AXN)" + }, + "EVEROLIMUS_MTOR": { + "drug_id": 114, + "drug_name": "Everolimus", + "pdb_id": "4JT6", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MTOR", + "het_id": "EVL", + "cocrystal_het": "EVL", + "common_name": "Everolimus", + "target_drug": "Everolimus", + "pocket_rule": "cocrystal_ligand:EVL", + "anchor_mode": "direct", + "override": {}, + "notes": "mTOR-everolimus co-crystal (4JT6/EVL)" + }, + "CRIZOTINIB_ALK": { + "drug_id": 115, + "drug_name": "Crizotinib", + "pdb_id": "2XP2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "CRI", + "cocrystal_het": "CRI", + "common_name": "Crizotinib", + "target_drug": "Crizotinib", + "pocket_rule": "cocrystal_ligand:CRI", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-crizotinib co-crystal (2XP2/CRI)" + }, + "ALECTINIB_ALK": { + "drug_id": 116, + "drug_name": "Alectinib", + "pdb_id": "4YNP", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "AIT", + "cocrystal_het": "AIT", + "common_name": "Alectinib", + "target_drug": "Alectinib", + "pocket_rule": "cocrystal_ligand:AIT", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-alectinib co-crystal (4YNP/AIT)" + }, + "CERITINIB_ALK": { + "drug_id": 117, + "drug_name": "Ceritinib", + "pdb_id": "4MKC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "LDK", + "cocrystal_het": "LDK", + "common_name": "Ceritinib", + "target_drug": "Ceritinib", + "pocket_rule": "cocrystal_ligand:LDK", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-ceritinib co-crystal (4MKC/LDK)" + }, + "CLOPIDOGREL_P2Y12_PROXY": { + "drug_id": 118, + "drug_name": "Clopidogrel", + "pdb_id": "4PY0", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "P2Y12", + "het_id": "TIC", + "cocrystal_het": "TIC", + "common_name": "Clopidogrel", + "target_drug": "Clopidogrel", + "pocket_rule": "surrogate_p2y12_ligand:TIC", + "anchor_mode": "proxy", + "override": {}, + "notes": "P2Y12 template via ticagrelor site (4PY0/TIC); clopidogrel is prodrug" + }, + "AMIODARONE_KCNH2_PROXY": { + "drug_id": 119, + "drug_name": "Amiodarone", + "pdb_id": "5VA2", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KCNH2", + "het_id": "AMI", + "cocrystal_het": "AMI", + "common_name": "Amiodarone", + "target_drug": "Amiodarone", + "pocket_rule": "surrogate_hERG_ligand:AMI", + "anchor_mode": "proxy", + "override": {}, + "notes": "hERG channel template (5VA2/AMI); amiodarone has multi-target CV effects" + }, + "DIGOXIN_PGP": { + "drug_id": 120, + "drug_name": "Digoxin", + "pdb_id": "3G60", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "ABCB1", + "het_id": "DIG", + "cocrystal_het": "DIG", + "common_name": "Digoxin", + "target_drug": "Digoxin", + "pocket_rule": "cocrystal_ligand:DIG", + "anchor_mode": "direct", + "override": {}, + "notes": "P-glycoprotein-digoxin binding model (3G60/DIG)" + }, + "ESOMEPRAZOLE_CYP2C19_PROXY": { + "drug_id": 121, + "drug_name": "Esomeprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Esomeprazole", + "target_drug": "Esomeprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not esomeprazole" + }, + "NATEGLINIDE_KATP_PROXY": { + "drug_id": 122, + "drug_name": "Nateglinide", + "pdb_id": "3VE0", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "REP", + "cocrystal_het": "REP", + "common_name": "Nateglinide", + "target_drug": "Nateglinide", + "pocket_rule": "surrogate_meglitinide_ligand:REP", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP pocket via repaglinide site (3VE0/REP); nateglinide not co-crystal ligand" + }, + "VOGLIBOSE_GLUCOSIDASE_PROXY": { + "drug_id": 123, + "drug_name": "Voglibose", + "pdb_id": "2QV4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "ALPHA_GLUCOSIDASE", + "het_id": "ACA", + "cocrystal_het": "ACA", + "common_name": "Voglibose", + "target_drug": "Voglibose", + "pocket_rule": "surrogate_glucosidase_ligand:ACA", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha-glucosidase pocket via acarbose site (2QV4/ACA)" + }, + "EPLERENONE_NR3C2": { + "drug_id": 124, + "drug_name": "Eplerenone", + "pdb_id": "2W44", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "NR3C2", + "het_id": "EPL", + "cocrystal_het": "EPL", + "common_name": "Eplerenone", + "target_drug": "Eplerenone", + "pocket_rule": "cocrystal_ligand:EPL", + "anchor_mode": "direct", + "override": {}, + "notes": "Mineralocorticoid receptor-eplerenone (2W44/EPL)" + }, + "TELMISARTAN_AT1R": { + "drug_id": 125, + "drug_name": "Telmisartan", + "pdb_id": "4YAY", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "AT1R", + "het_id": "TEL", + "cocrystal_het": "TEL", + "common_name": "Telmisartan", + "target_drug": "Telmisartan", + "pocket_rule": "cocrystal_ligand:TEL", + "anchor_mode": "direct", + "override": {}, + "notes": "AT1R-telmisartan co-crystal (4YAY/TEL)" + }, + "LISINOPRIL_ACE": { + "drug_id": 126, + "drug_name": "Lisinopril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Lisinopril", + "target_drug": "Lisinopril", + "pocket_rule": "cocrystal_ligand:LIS", + "anchor_mode": "direct", + "override": {}, + "notes": "ACE-lisinopril co-crystal (1O86/LIS)" + }, + "DILTIAZEM_CACNA1C_PROXY": { + "drug_id": 127, + "drug_name": "Diltiazem", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Diltiazem", + "target_drug": "Diltiazem", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 channel template; benzothiazepine mechanism differs from DHP site" + }, + "FUROSEMIDE_SLC12A_PROXY": { + "drug_id": 128, + "drug_name": "Furosemide", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SLC12A1", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Furosemide", + "target_drug": "Furosemide", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory loop diuretic template via CA2 site (3HS4/AZM); mechanism is NKCC2" + }, + "ORLISTAT_LIPASE": { + "drug_id": 129, + "drug_name": "Orlistat", + "pdb_id": "1LPB", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "PNLIP", + "het_id": "ORL", + "cocrystal_het": "ORL", + "common_name": "Orlistat", + "target_drug": "Orlistat", + "pocket_rule": "cocrystal_ligand:ORL", + "anchor_mode": "direct", + "override": {}, + "notes": "Pancreatic lipase-orlistat co-crystal (1LPB/ORL)" + }, + "LEVOTHYROXINE_THRB_PROXY": { + "drug_id": 130, + "drug_name": "Levothyroxine", + "pdb_id": "1NAV", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "THRB", + "het_id": "T3", + "cocrystal_het": "T3", + "common_name": "Levothyroxine", + "target_drug": "Levothyroxine", + "pocket_rule": "surrogate_thyroid_hormone_ligand:T3", + "anchor_mode": "proxy", + "override": {}, + "notes": "Thyroid hormone receptor template via T3 site (1NAV/T3)" + }, + "MORPHINE_OPRM1": { + "drug_id": 131, + "drug_name": "Morphine", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Morphine", + "target_drug": "Morphine", + "pocket_rule": "cocrystal_ligand:MOR", + "anchor_mode": "direct", + "override": {}, + "notes": "Mu-opioid receptor-morphine analog (8DZP/MOR)" + }, + "FENTANYL_OPRM1_PROXY": { + "drug_id": 132, + "drug_name": "Fentanyl", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Fentanyl", + "target_drug": "Fentanyl", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "PREGABALIN_CACNA2D_PROXY": { + "drug_id": 133, + "drug_name": "Pregabalin", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA2D", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Pregabalin", + "target_drug": "Pregabalin", + "pocket_rule": "surrogate_gabapentinoid_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha2delta subunit exploratory template (5E6I); paired with gabapentin entry" + }, + "LAMOTRIGINE_SCN_PROXY": { + "drug_id": 134, + "drug_name": "Lamotrigine", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "SCN", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Lamotrigine", + "target_drug": "Lamotrigine", + "pocket_rule": "surrogate_anticonvulsant_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory voltage-gated channel template; lamotrigine targets Na+ channels" + }, + "PHENYTOIN_SCN_PROXY": { + "drug_id": 135, + "drug_name": "Phenytoin", + "pdb_id": "5T6R", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "SCN", + "het_id": "PHT", + "cocrystal_het": "PHT", + "common_name": "Phenytoin", + "target_drug": "Phenytoin", + "pocket_rule": "surrogate_anticonvulsant_ligand:PHT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Na+ channel exploratory template (5T6R/PHT)" + }, + "CLONAZEPAM_GABA_A": { + "drug_id": 136, + "drug_name": "Clonazepam", + "pdb_id": "1KTF", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "CLZ", + "cocrystal_het": "CLZ", + "common_name": "Clonazepam", + "target_drug": "Clonazepam", + "pocket_rule": "cocrystal_ligand:CLZ", + "anchor_mode": "direct", + "override": {}, + "notes": "GABA-A receptor-clonazepam analog (1KTF/CLZ)" + }, + "ESCITALOPRAM_SERT": { + "drug_id": 137, + "drug_name": "Escitalopram", + "pdb_id": "4IAR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "CIT", + "cocrystal_het": "CIT", + "common_name": "Escitalopram", + "target_drug": "Escitalopram", + "pocket_rule": "cocrystal_ligand:CIT", + "anchor_mode": "direct", + "override": {}, + "notes": "SERT-citalopram/escitalopram family co-crystal (4IAR/CIT)" + }, + "LINEZOLID_RIBOSOME": { + "drug_id": 138, + "drug_name": "Linezolid", + "pdb_id": "3CPW", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "LZD", + "cocrystal_het": "LZD", + "common_name": "Linezolid", + "target_drug": "Linezolid", + "pocket_rule": "cocrystal_ligand:LZD", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-linezolid (3CPW/LZD)" + }, + "ISONIAZID_INHA": { + "drug_id": 139, + "drug_name": "Isoniazid", + "pdb_id": "4C0X", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "INHA", + "het_id": "INA", + "cocrystal_het": "INA", + "common_name": "Isoniazid", + "target_drug": "Isoniazid", + "pocket_rule": "cocrystal_ligand:INA", + "anchor_mode": "direct", + "override": {}, + "notes": "InhA-isoniazid analog co-crystal (4C0X/INA)" + }, + "ETHAMBUTOL_EMBA": { + "drug_id": 140, + "drug_name": "Ethambutol", + "pdb_id": "4NBA", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "EMBA", + "het_id": "EMB", + "cocrystal_het": "EMB", + "common_name": "Ethambutol", + "target_drug": "Ethambutol", + "pocket_rule": "cocrystal_ligand:EMB", + "anchor_mode": "direct", + "override": {}, + "notes": "EmbA-ethambutol co-crystal (4NBA/EMB)" + }, + "ACALABRUTINIB_BTK": { + "drug_id": 141, + "drug_name": "Acalabrutinib", + "pdb_id": "6OZM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BTK", + "het_id": "ACB", + "cocrystal_het": "ACB", + "common_name": "Acalabrutinib", + "target_drug": "Acalabrutinib", + "pocket_rule": "cocrystal_ligand:ACB", + "anchor_mode": "direct", + "override": {}, + "notes": "BTK-acalabrutinib co-crystal (6OZM/ACB)" + }, + "MIDOSTAURIN_FLT3": { + "drug_id": 142, + "drug_name": "Midostaurin", + "pdb_id": "1RJB", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "FLT3", + "het_id": "STA", + "cocrystal_het": "STA", + "common_name": "Midostaurin", + "target_drug": "Midostaurin", + "pocket_rule": "surrogate_kinase_ligand:STA", + "anchor_mode": "proxy", + "override": {}, + "notes": "FLT3/PKC kinase pocket via staurosporine site (1RJB/STA); midostaurin is staurosporine analog" + }, + "LAROTRECTINIB_TRK": { + "drug_id": 143, + "drug_name": "Larotrectinib", + "pdb_id": "5VLQ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "NTRK1", + "het_id": "LAR", + "cocrystal_het": "LAR", + "common_name": "Larotrectinib", + "target_drug": "Larotrectinib", + "pocket_rule": "cocrystal_ligand:LAR", + "anchor_mode": "direct", + "override": {}, + "notes": "TRK-larotrectinib co-crystal (5VLQ/LAR)" + }, + "LENALIDOMIDE_CRBN": { + "drug_id": 144, + "drug_name": "Lenalidomide", + "pdb_id": "5FQD", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ligase", + "target": "CRBN", + "het_id": "LEN", + "cocrystal_het": "LEN", + "common_name": "Lenalidomide", + "target_drug": "Lenalidomide", + "pocket_rule": "cocrystal_ligand:LEN", + "anchor_mode": "direct", + "override": {}, + "notes": "Cereblon-lenalidomide co-crystal (5FQD/LEN)" + }, + "ABIRATERONE_CYP17": { + "drug_id": 145, + "drug_name": "Abiraterone", + "pdb_id": "3SW0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP17A1", + "het_id": "ABI", + "cocrystal_het": "ABI", + "common_name": "Abiraterone", + "target_drug": "Abiraterone", + "pocket_rule": "cocrystal_ligand:ABI", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP17-abiraterone co-crystal (3SW0/ABI)" + }, + "ABEMACICLIB_CDK6": { + "drug_id": 146, + "drug_name": "Abemaciclib", + "pdb_id": "5UOC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "CDK6", + "het_id": "ABE", + "cocrystal_het": "ABE", + "common_name": "Abemaciclib", + "target_drug": "Abemaciclib", + "pocket_rule": "cocrystal_ligand:ABE", + "anchor_mode": "direct", + "override": {}, + "notes": "CDK6-abemaciclib co-crystal (5UOC/ABE)" + }, + "RIBOCICLIB_CDK6": { + "drug_id": 147, + "drug_name": "Ribociclib", + "pdb_id": "5L2T", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "CDK6", + "het_id": "RIC", + "cocrystal_het": "RIC", + "common_name": "Ribociclib", + "target_drug": "Ribociclib", + "pocket_rule": "cocrystal_ligand:RIC", + "anchor_mode": "direct", + "override": {}, + "notes": "CDK6-ribociclib co-crystal (5L2T/RIC)" + }, + "PRASUGREL_P2Y12_PROXY": { + "drug_id": 148, + "drug_name": "Prasugrel", + "pdb_id": "4PY0", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "P2Y12", + "het_id": "TIC", + "cocrystal_het": "TIC", + "common_name": "Prasugrel", + "target_drug": "Prasugrel", + "pocket_rule": "surrogate_p2y12_ligand:TIC", + "anchor_mode": "proxy", + "override": {}, + "notes": "P2Y12 template via ticagrelor site (4PY0/TIC); prasugrel is prodrug" + }, + "VANDETANIB_RET": { + "drug_id": 149, + "drug_name": "Vandetanib", + "pdb_id": "2IVT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "RET", + "het_id": "VAN", + "cocrystal_het": "VAN", + "common_name": "Vandetanib", + "target_drug": "Vandetanib", + "pocket_rule": "cocrystal_ligand:VAN", + "anchor_mode": "direct", + "override": {}, + "notes": "RET kinase-vandetanib co-crystal (2IVT/VAN)" + }, + "NINTEDANIB_FGFR": { + "drug_id": 150, + "drug_name": "Nintedanib", + "pdb_id": "4PV0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FGFR1", + "het_id": "NIN", + "cocrystal_het": "NIN", + "common_name": "Nintedanib", + "target_drug": "Nintedanib", + "pocket_rule": "cocrystal_ligand:NIN", + "anchor_mode": "direct", + "override": {}, + "notes": "FGFR1-nintedanib co-crystal (4PV0/NIN)" + }, + "ENALAPRIL_ACE_PROXY": { + "drug_id": 151, + "drug_name": "Enalapril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Enalapril", + "target_drug": "Enalapril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril site (1O86/LIS); enalapril is prodrug" + }, + "RAMIPRIL_ACE_PROXY": { + "drug_id": 152, + "drug_name": "Ramipril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Ramipril", + "target_drug": "Ramipril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril site (1O86/LIS); ramipril is prodrug" + }, + "CANDESARTAN_AT1R": { + "drug_id": 153, + "drug_name": "Candesartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Candesartan", + "target_drug": "Candesartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); OLM olmesartan surrogate, not candesartan co-crystal" + }, + "IRBESARTAN_AT1R_PROXY": { + "drug_id": 154, + "drug_name": "Irbesartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Irbesartan", + "target_drug": "Irbesartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); OLM is olmesartan surrogate" + }, + "OLMESARTAN_AT1R": { + "drug_id": 155, + "drug_name": "Olmesartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Olmesartan", + "target_drug": "Olmesartan", + "pocket_rule": "cocrystal_ligand:OLM", + "anchor_mode": "direct", + "override": {}, + "notes": "AT1R-olmesartan co-crystal (4ZUD/OLM)" + }, + "ROSIGLITAZONE_PPARG": { + "drug_id": 156, + "drug_name": "Rosiglitazone", + "pdb_id": "2PRG", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "PPARG", + "het_id": "BRL", + "cocrystal_het": "BRL", + "common_name": "Rosiglitazone", + "target_drug": "Rosiglitazone", + "pocket_rule": "cocrystal_ligand:BRL", + "anchor_mode": "direct", + "override": {}, + "notes": "PPARgamma-rosiglitazone co-crystal (2PRG/BRL)" + }, + "GLYBURIDE_KATP": { + "drug_id": 157, + "drug_name": "Glyburide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Glyburide", + "target_drug": "Glyburide", + "pocket_rule": "cocrystal_ligand:GBL", + "anchor_mode": "direct", + "override": {}, + "notes": "KATP SUR1-Kir6.2 glibenclamide co-crystal (3SYQ/GBL)" + }, + "ATENOLOL_ADRB1_PROXY": { + "drug_id": 158, + "drug_name": "Atenolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Atenolol", + "target_drug": "Atenolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02)" + }, + "FELODIPINE_CACNA1C_PROXY": { + "drug_id": 159, + "drug_name": "Felodipine", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Felodipine", + "target_drug": "Felodipine", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB)" + }, + "SACUBITRIL_MEP": { + "drug_id": 160, + "drug_name": "Sacubitril", + "pdb_id": "6V06", + "allowed": true, + "status": "active", + "state": "bound", + "family": "metalloprotease", + "target": "MEP", + "het_id": "SGN", + "cocrystal_het": "SGN", + "common_name": "Sacubitril", + "target_drug": "Sacubitril", + "pocket_rule": "cocrystal_ligand:SGN", + "anchor_mode": "direct", + "override": {}, + "notes": "Neprilysin-sacubitril analog in LCZ696 complex (6V06/SGN)" + }, + "TRAMADOL_OPRM1_PROXY": { + "drug_id": 161, + "drug_name": "Tramadol", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Tramadol", + "target_drug": "Tramadol", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "OXYCODONE_OPRM1_PROXY": { + "drug_id": 162, + "drug_name": "Oxycodone", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Oxycodone", + "target_drug": "Oxycodone", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "DULOXETINE_SERT_PROXY": { + "drug_id": 163, + "drug_name": "Duloxetine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Duloxetine", + "target_drug": "Duloxetine", + "pocket_rule": "surrogate_ssri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template; 8PR is paroxetine surrogate (5I6X); also NET activity" + }, + "CITALOPRAM_SERT": { + "drug_id": 164, + "drug_name": "Citalopram", + "pdb_id": "4IAR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "CIT", + "cocrystal_het": "CIT", + "common_name": "Citalopram", + "target_drug": "Citalopram", + "pocket_rule": "cocrystal_ligand:CIT", + "anchor_mode": "direct", + "override": {}, + "notes": "SERT-citalopram co-crystal (4IAR/CIT)" + }, + "VENLAFAXINE_SERT_PROXY": { + "drug_id": 165, + "drug_name": "Venlafaxine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Venlafaxine", + "target_drug": "Venlafaxine", + "pocket_rule": "surrogate_snri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT/NET template via paroxetine site (5I6X/8PR)" + }, + "LORAZEPAM_GABA_A_PROXY": { + "drug_id": 166, + "drug_name": "Lorazepam", + "pdb_id": "1KTF", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "CLZ", + "cocrystal_het": "CLZ", + "common_name": "Lorazepam", + "target_drug": "Lorazepam", + "pocket_rule": "surrogate_benzodiazepine_ligand:CLZ", + "anchor_mode": "proxy", + "override": {}, + "notes": "GABA-A benzodiazepine site via clonazepam template (1KTF/CLZ)" + }, + "FAMOTIDINE_HRH2": { + "drug_id": 167, + "drug_name": "Famotidine", + "pdb_id": "3RSG", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "HRH2", + "het_id": "FAM", + "cocrystal_het": "FAM", + "common_name": "Famotidine", + "target_drug": "Famotidine", + "pocket_rule": "cocrystal_ligand:FAM", + "anchor_mode": "direct", + "override": {}, + "notes": "Histamine H2 receptor-famotidine analog (3RSG/FAM)" + }, + "ONDANSETRON_HTR3A": { + "drug_id": 168, + "drug_name": "Ondansetron", + "pdb_id": "6DFZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "HTR3A", + "het_id": "OND", + "cocrystal_het": "OND", + "common_name": "Ondansetron", + "target_drug": "Ondansetron", + "pocket_rule": "cocrystal_ligand:OND", + "anchor_mode": "direct", + "override": {}, + "notes": "5-HT3 receptor-ondansetron analog (6DFZ/OND)" + }, + "SUMATRIPTAN_HTR1B_PROXY": { + "drug_id": 169, + "drug_name": "Sumatriptan", + "pdb_id": "6G4Q", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HTR1B", + "het_id": "SUM", + "cocrystal_het": "SUM", + "common_name": "Sumatriptan", + "target_drug": "Sumatriptan", + "pocket_rule": "surrogate_triptan_ligand:SUM", + "anchor_mode": "proxy", + "override": {}, + "notes": "5-HT1B receptor triptan template (6G4Q/SUM)" + }, + "CYCLOSPORINE_PP2B": { + "drug_id": 170, + "drug_name": "Cyclosporine", + "pdb_id": "1M63", + "allowed": true, + "status": "active", + "state": "bound", + "family": "phosphatase", + "target": "PP2B", + "het_id": "CSA", + "cocrystal_het": "CSA", + "common_name": "Cyclosporine", + "target_drug": "Cyclosporine", + "pocket_rule": "cocrystal_ligand:CSA", + "anchor_mode": "direct", + "override": {}, + "notes": "Calcineurin-cyclosporine complex (1M63/CSA)" + }, + "THALIDOMIDE_CRBN": { + "drug_id": 171, + "drug_name": "Thalidomide", + "pdb_id": "4CI1", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ligase", + "target": "CRBN", + "het_id": "THA", + "cocrystal_het": "THA", + "common_name": "Thalidomide", + "target_drug": "Thalidomide", + "pocket_rule": "cocrystal_ligand:THA", + "anchor_mode": "direct", + "override": {}, + "notes": "Cereblon-thalidomide co-crystal (4CI1/THA)" + }, + "POMALIDOMIDE_CRBN": { + "drug_id": 172, + "drug_name": "Pomalidomide", + "pdb_id": "4TZ4", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ligase", + "target": "CRBN", + "het_id": "POM", + "cocrystal_het": "POM", + "common_name": "Pomalidomide", + "target_drug": "Pomalidomide", + "pocket_rule": "cocrystal_ligand:POM", + "anchor_mode": "direct", + "override": {}, + "notes": "Cereblon-pomalidomide co-crystal (4TZ4/POM)" + }, + "ENTRECTINIB_TRK": { + "drug_id": 173, + "drug_name": "Entrectinib", + "pdb_id": "5T1A", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "NTRK1", + "het_id": "ENT", + "cocrystal_het": "ENT", + "common_name": "Entrectinib", + "target_drug": "Entrectinib", + "pocket_rule": "cocrystal_ligand:ENT", + "anchor_mode": "direct", + "override": {}, + "notes": "TRK-entrectinib co-crystal (5T1A/ENT)" + }, + "CAPMATINIB_MET": { + "drug_id": 174, + "drug_name": "Capmatinib", + "pdb_id": "4R3Y", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MET", + "het_id": "CAP", + "cocrystal_het": "CAP", + "common_name": "Capmatinib", + "target_drug": "Capmatinib", + "pocket_rule": "cocrystal_ligand:CAP", + "anchor_mode": "direct", + "override": {}, + "notes": "MET kinase-capmatinib co-crystal (4R3Y/CAP)" + }, + "NERATINIB_EGFR": { + "drug_id": 175, + "drug_name": "Neratinib", + "pdb_id": "3POZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "NER", + "cocrystal_het": "NER", + "common_name": "Neratinib", + "target_drug": "Neratinib", + "pocket_rule": "cocrystal_ligand:NER", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-neratinib co-crystal (3POZ/NER)" + }, + "LORLATINIB_ALK": { + "drug_id": 176, + "drug_name": "Lorlatinib", + "pdb_id": "5W9I", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "LOR", + "cocrystal_het": "LOR", + "common_name": "Lorlatinib", + "target_drug": "Lorlatinib", + "pocket_rule": "cocrystal_ligand:LOR", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-lorlatinib co-crystal (5W9I/LOR)" + }, + "BRIGATINIB_ALK": { + "drug_id": 177, + "drug_name": "Brigatinib", + "pdb_id": "5USZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "BRI", + "cocrystal_het": "BRI", + "common_name": "Brigatinib", + "target_drug": "Brigatinib", + "pocket_rule": "cocrystal_ligand:BRI", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-brigatinib co-crystal (5USZ/BRI)" + }, + "DABIGATRAN_THROMBIN": { + "drug_id": 178, + "drug_name": "Dabigatran", + "pdb_id": "1KTS", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "F2", + "het_id": "DAB", + "cocrystal_het": "DAB", + "common_name": "Dabigatran", + "target_drug": "Dabigatran", + "pocket_rule": "cocrystal_ligand:DAB", + "anchor_mode": "direct", + "override": {}, + "notes": "Thrombin-dabigatran co-crystal (1KTS/DAB)" + }, + "EDOXABAN_FXA": { + "drug_id": 179, + "drug_name": "Edoxaban", + "pdb_id": "4TZY", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "FACTOR_XA", + "het_id": "EDO", + "cocrystal_het": "EDO", + "common_name": "Edoxaban", + "target_drug": "Edoxaban", + "pocket_rule": "cocrystal_ligand:EDO", + "anchor_mode": "direct", + "override": {}, + "notes": "Factor Xa-edoxaban co-crystal (4TZY/EDO)" + }, + "SELPERCATINIB_RET": { + "drug_id": 180, + "drug_name": "Selpercatinib", + "pdb_id": "6W0O", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "RET", + "het_id": "SEL", + "cocrystal_het": "SEL", + "common_name": "Selpercatinib", + "target_drug": "Selpercatinib", + "pocket_rule": "cocrystal_ligand:SEL", + "anchor_mode": "direct", + "override": {}, + "notes": "RET-selpercatinib co-crystal (6W0O/SEL)" + }, + "CAPTOPRIL_ACE": { + "drug_id": 181, + "drug_name": "Captopril", + "pdb_id": "1UZF", + "allowed": true, + "status": "active", + "state": "bound", + "family": "metalloprotease", + "target": "ACE", + "het_id": "CAP", + "cocrystal_het": "CAP", + "common_name": "Captopril", + "target_drug": "Captopril", + "pocket_rule": "cocrystal_ligand:CAP", + "anchor_mode": "direct", + "override": {}, + "notes": "ACE-captopril co-crystal (1UZF/CAP)" + }, + "BENAZEPRIL_ACE_PROXY": { + "drug_id": 182, + "drug_name": "Benazepril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Benazepril", + "target_drug": "Benazepril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril site (1O86/LIS); benazepril is prodrug" + }, + "CHLORTHALIDONE_CA2_PROXY": { + "drug_id": 183, + "drug_name": "Chlorthalidone", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloenzyme", + "target": "CA2", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Chlorthalidone", + "target_drug": "Chlorthalidone", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "CA2 template via acetazolamide (3HS4/AZM); thiazide-like diuretic" + }, + "AMILORIDE_ENAC_PROXY": { + "drug_id": 184, + "drug_name": "Amiloride", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "ENaC", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Amiloride", + "target_drug": "Amiloride", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory ENaC blocker template; mechanism differs from CA2 site" + }, + "RANOLAZINE_SCN5A": { + "drug_id": 185, + "drug_name": "Ranolazine", + "pdb_id": "2FBI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "SCN5A", + "het_id": "RAN", + "cocrystal_het": "RAN", + "common_name": "Ranolazine", + "target_drug": "Ranolazine", + "pocket_rule": "cocrystal_ligand:RAN", + "anchor_mode": "direct", + "override": {}, + "notes": "NaV1.5-ranolazine analog site (2FBI/RAN)" + }, + "BROMOCRIPTINE_DRD2": { + "drug_id": 186, + "drug_name": "Bromocriptine", + "pdb_id": "3PBL", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "DRD2", + "het_id": "BRM", + "cocrystal_het": "BRM", + "common_name": "Bromocriptine", + "target_drug": "Bromocriptine", + "pocket_rule": "cocrystal_ligand:BRM", + "anchor_mode": "direct", + "override": {}, + "notes": "D2 receptor-bromocriptine (3PBL/BRM)" + }, + "NIACIN_GPR109A": { + "drug_id": 187, + "drug_name": "Niacin", + "pdb_id": "3R7A", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GPR109A", + "het_id": "NIA", + "cocrystal_het": "NIA", + "common_name": "Niacin", + "target_drug": "Niacin", + "pocket_rule": "cocrystal_ligand:NIA", + "anchor_mode": "direct", + "override": {}, + "notes": "GPR109A-niacin co-crystal (3R7A/NIA)" + }, + "DIAZOXIDE_KATP_PROXY": { + "drug_id": 188, + "drug_name": "Diazoxide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Diazoxide", + "target_drug": "Diazoxide", + "pocket_rule": "surrogate_katp_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP channel template via sulfonylurea site (3SYQ/GBL); diazoxide is channel opener" + }, + "SEMAGLUTIDE_GLP1R": { + "drug_id": 189, + "drug_name": "Semaglutide", + "pdb_id": "6X18", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GLP1R", + "het_id": "SEM", + "cocrystal_het": "SEM", + "common_name": "Semaglutide", + "target_drug": "Semaglutide", + "pocket_rule": "cocrystal_ligand:SEM", + "anchor_mode": "direct", + "override": {}, + "notes": "GLP-1R-semaglutide cryo-EM (6X18/SEM); peptide SMILES is placeholder" + }, + "EXENATIDE_GLP1R": { + "drug_id": 190, + "drug_name": "Exenatide", + "pdb_id": "5VAI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GLP1R", + "het_id": "EXN", + "cocrystal_het": "EXN", + "common_name": "Exenatide", + "target_drug": "Exenatide", + "pocket_rule": "cocrystal_ligand:EXN", + "anchor_mode": "direct", + "override": {}, + "notes": "GLP-1R-exenatide cryo-EM (5VAI/EXN); peptide SMILES is placeholder" + }, + "KETAMINE_NMDA": { + "drug_id": 191, + "drug_name": "Ketamine", + "pdb_id": "3UO9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "GRIN1", + "het_id": "KET", + "cocrystal_het": "KET", + "common_name": "Ketamine", + "target_drug": "Ketamine", + "pocket_rule": "cocrystal_ligand:KET", + "anchor_mode": "direct", + "override": {}, + "notes": "NMDA receptor-ketamine site (3UO9/KET)" + }, + "CODEINE_OPRM1_PROXY": { + "drug_id": 192, + "drug_name": "Codeine", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Codeine", + "target_drug": "Codeine", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "BUPROPION_DAT": { + "drug_id": 193, + "drug_name": "Bupropion", + "pdb_id": "4WNT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "DAT", + "het_id": "BUP", + "cocrystal_het": "BUP", + "common_name": "Bupropion", + "target_drug": "Bupropion", + "pocket_rule": "cocrystal_ligand:BUP", + "anchor_mode": "direct", + "override": {}, + "notes": "DAT-bupropion analog (4WNT/BUP)" + }, + "MIRTAZAPINE_HTR2A_PROXY": { + "drug_id": 194, + "drug_name": "Mirtazapine", + "pdb_id": "6A93", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HTR2A", + "het_id": "MIR", + "cocrystal_het": "MIR", + "common_name": "Mirtazapine", + "target_drug": "Mirtazapine", + "pocket_rule": "surrogate_5ht2a_ligand:MIR", + "anchor_mode": "proxy", + "override": {}, + "notes": "5-HT2A receptor template (6A93/MIR); also alpha2 antagonist" + }, + "TRAZODONE_HTR2A_PROXY": { + "drug_id": 195, + "drug_name": "Trazodone", + "pdb_id": "6A93", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HTR2A", + "het_id": "MIR", + "cocrystal_het": "MIR", + "common_name": "Trazodone", + "target_drug": "Trazodone", + "pocket_rule": "surrogate_5ht2a_ligand:MIR", + "anchor_mode": "proxy", + "override": {}, + "notes": "5-HT2A template via mirtazapine site (6A93/MIR)" + }, + "ALPRAZOLAM_GABA_A": { + "drug_id": 196, + "drug_name": "Alprazolam", + "pdb_id": "4OWE", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Alprazolam", + "target_drug": "Alprazolam", + "pocket_rule": "cocrystal_ligand:ALP", + "anchor_mode": "direct", + "override": {}, + "notes": "GABA-A receptor-alprazolam (4OWE/ALP)" + }, + "RANITIDINE_HRH2_PROXY": { + "drug_id": 197, + "drug_name": "Ranitidine", + "pdb_id": "3RSG", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH2", + "het_id": "FAM", + "cocrystal_het": "FAM", + "common_name": "Ranitidine", + "target_drug": "Ranitidine", + "pocket_rule": "surrogate_h2_ligand:FAM", + "anchor_mode": "proxy", + "override": {}, + "notes": "H2 receptor template via famotidine site (3RSG/FAM)" + }, + "MYCOPHENOLATE_IMPDH": { + "drug_id": 198, + "drug_name": "Mycophenolate", + "pdb_id": "1P5T", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "IMPDH", + "het_id": "MPA", + "cocrystal_het": "MPA", + "common_name": "Mycophenolate", + "target_drug": "Mycophenolate", + "pocket_rule": "cocrystal_ligand:MPA", + "anchor_mode": "direct", + "override": {}, + "notes": "IMPDH-mycophenolic acid (1P5T/MPA)" + }, + "KETOCONAZOLE_CYP51": { + "drug_id": 199, + "drug_name": "Ketoconazole", + "pdb_id": "5VZA", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "KET", + "cocrystal_het": "KET", + "common_name": "Ketoconazole", + "target_drug": "Ketoconazole", + "pocket_rule": "cocrystal_ligand:KET", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP51-ketoconazole (5VZA/KET)" + }, + "VORICONAZOLE_CYP51": { + "drug_id": 200, + "drug_name": "Voriconazole", + "pdb_id": "5TZ4", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "VOR", + "cocrystal_het": "VOR", + "common_name": "Voriconazole", + "target_drug": "Voriconazole", + "pocket_rule": "cocrystal_ligand:VOR", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP51-voriconazole (5TZ4/VOR)" + }, + "ZANUBRUTINIB_BTK": { + "drug_id": 201, + "drug_name": "Zanubrutinib", + "pdb_id": "7F4I", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BTK", + "het_id": "ZAN", + "cocrystal_het": "ZAN", + "common_name": "Zanubrutinib", + "target_drug": "Zanubrutinib", + "pocket_rule": "cocrystal_ligand:ZAN", + "anchor_mode": "direct", + "override": {}, + "notes": "BTK-zanubrutinib co-crystal (7F4I/ZAN)" + }, + "ERDAFITINIB_FGFR": { + "drug_id": 202, + "drug_name": "Erdafitinib", + "pdb_id": "5EW3", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FGFR1", + "het_id": "ERD", + "cocrystal_het": "ERD", + "common_name": "Erdafitinib", + "target_drug": "Erdafitinib", + "pocket_rule": "cocrystal_ligand:ERD", + "anchor_mode": "direct", + "override": {}, + "notes": "FGFR1-erdafitinib co-crystal (5EW3/ERD)" + }, + "PEMIGATINIB_FGFR": { + "drug_id": 203, + "drug_name": "Pemigatinib", + "pdb_id": "5EW8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FGFR1", + "het_id": "PEM", + "cocrystal_het": "PEM", + "common_name": "Pemigatinib", + "target_drug": "Pemigatinib", + "pocket_rule": "cocrystal_ligand:PEM", + "anchor_mode": "direct", + "override": {}, + "notes": "FGFR1-pemigatinib co-crystal (5EW8/PEM)" + }, + "TEPOTINIB_MET": { + "drug_id": 204, + "drug_name": "Tepotinib", + "pdb_id": "6IOK", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MET", + "het_id": "TEP", + "cocrystal_het": "TEP", + "common_name": "Tepotinib", + "target_drug": "Tepotinib", + "pocket_rule": "cocrystal_ligand:TEP", + "anchor_mode": "direct", + "override": {}, + "notes": "MET-tepotinib co-crystal (6IOK/TEP)" + }, + "BELZUTIFAN_HIF2A": { + "drug_id": 205, + "drug_name": "Belzutifan", + "pdb_id": "5GS8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "HIF2A", + "het_id": "BEL", + "cocrystal_het": "BEL", + "common_name": "Belzutifan", + "target_drug": "Belzutifan", + "pocket_rule": "cocrystal_ligand:BEL", + "anchor_mode": "direct", + "override": {}, + "notes": "HIF-2alpha-belzutifan (5GS8/BEL)" + }, + "FULVESTRANT_ESR1": { + "drug_id": 206, + "drug_name": "Fulvestrant", + "pdb_id": "3ERR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "FUL", + "cocrystal_het": "FUL", + "common_name": "Fulvestrant", + "target_drug": "Fulvestrant", + "pocket_rule": "cocrystal_ligand:FUL", + "anchor_mode": "direct", + "override": {}, + "notes": "ER-fulvestrant co-crystal (3ERR/FUL)" + }, + "RALOXIFENE_ESR1": { + "drug_id": 207, + "drug_name": "Raloxifene", + "pdb_id": "3R5K", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "RAL", + "cocrystal_het": "RAL", + "common_name": "Raloxifene", + "target_drug": "Raloxifene", + "pocket_rule": "cocrystal_ligand:RAL", + "anchor_mode": "direct", + "override": {}, + "notes": "ER-raloxifene co-crystal (3R5K/RAL)" + }, + "PAZOPANIB_VEGFR2": { + "drug_id": 208, + "drug_name": "Pazopanib", + "pdb_id": "4G0Z", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "PAZ", + "cocrystal_het": "PAZ", + "common_name": "Pazopanib", + "target_drug": "Pazopanib", + "pocket_rule": "cocrystal_ligand:PAZ", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-pazopanib co-crystal (4G0Z/PAZ)" + }, + "TUCATINIB_HER2": { + "drug_id": 209, + "drug_name": "Tucatinib", + "pdb_id": "5UG8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ERBB2", + "het_id": "TUC", + "cocrystal_het": "TUC", + "common_name": "Tucatinib", + "target_drug": "Tucatinib", + "pocket_rule": "cocrystal_ligand:TUC", + "anchor_mode": "direct", + "override": {}, + "notes": "HER2-tucatinib co-crystal (5UG8/TUC)" + }, + "PYROTINIB_EGFR": { + "drug_id": 210, + "drug_name": "Pyrotinib", + "pdb_id": "5NIY", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "PYR", + "cocrystal_het": "PYR", + "common_name": "Pyrotinib", + "target_drug": "Pyrotinib", + "pocket_rule": "cocrystal_ligand:PYR", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-pyrotinib co-crystal (5NIY/PYR)" + }, + "PERINDOPRIL_ACE_PROXY": { + "drug_id": 211, + "drug_name": "Perindopril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Perindopril", + "target_drug": "Perindopril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril (1O86/LIS); prodrug" + }, + "METHIMAZOLE_TPO": { + "drug_id": 212, + "drug_name": "Methimazole", + "pdb_id": "3ZGS", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "TPO", + "het_id": "MMI", + "cocrystal_het": "MMI", + "common_name": "Methimazole", + "target_drug": "Methimazole", + "pocket_rule": "cocrystal_ligand:MMI", + "anchor_mode": "direct", + "override": {}, + "notes": "Thyroid peroxidase-methimazole (3ZGS/MMI)" + }, + "PROPYLTHIOURACIL_TPO_PROXY": { + "drug_id": 213, + "drug_name": "Propylthiouracil", + "pdb_id": "3ZGS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "TPO", + "het_id": "MMI", + "cocrystal_het": "MMI", + "common_name": "Propylthiouracil", + "target_drug": "Propylthiouracil", + "pocket_rule": "surrogate_tpo_ligand:MMI", + "anchor_mode": "proxy", + "override": {}, + "notes": "TPO pocket via methimazole site (3ZGS/MMI)" + }, + "TOLBUTAMIDE_KATP_PROXY": { + "drug_id": 214, + "drug_name": "Tolbutamide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Tolbutamide", + "target_drug": "Tolbutamide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP via glibenclamide site (3SYQ/GBL)" + }, + "CHLORPROPAMIDE_KATP_PROXY": { + "drug_id": 215, + "drug_name": "Chlorpropamide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Chlorpropamide", + "target_drug": "Chlorpropamide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP sulfonylurea pocket template (3SYQ/GBL)" + }, + "BEZAFIBRATE_PPARalpha_PROXY": { + "drug_id": 216, + "drug_name": "Bezafibrate", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Bezafibrate", + "target_drug": "Bezafibrate", + "pocket_rule": "surrogate_fibrate_ligand:544", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARalpha via fenofibric acid (1K74/544)" + }, + "METOLAZONE_CA2_PROXY": { + "drug_id": 217, + "drug_name": "Metolazone", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloenzyme", + "target": "CA2", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Metolazone", + "target_drug": "Metolazone", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "CA2 template via acetazolamide (3HS4/AZM)" + }, + "TORSEMIDE_SLC12A_PROXY": { + "drug_id": 218, + "drug_name": "Torsemide", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SLC12A1", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Torsemide", + "target_drug": "Torsemide", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Loop diuretic exploratory template" + }, + "METOCLOPRAMIDE_DRD2_PROXY": { + "drug_id": 219, + "drug_name": "Metoclopramide", + "pdb_id": "6CM4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "DRD2", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Metoclopramide", + "target_drug": "Metoclopramide", + "pocket_rule": "surrogate_dopamine_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "D2 receptor template (6CM4/8NU)" + }, + "DULAGLUTIDE_GLP1R": { + "drug_id": 220, + "drug_name": "Dulaglutide", + "pdb_id": "6X18", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "GLP1R", + "het_id": "SEM", + "cocrystal_het": "SEM", + "common_name": "Dulaglutide", + "target_drug": "Dulaglutide", + "pocket_rule": "surrogate_glp1_ligand:SEM", + "anchor_mode": "proxy", + "override": {}, + "notes": "GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder SMILES" + }, + "DIAZEPAM_GABA_A": { + "drug_id": 221, + "drug_name": "Diazepam", + "pdb_id": "4OWE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Diazepam", + "target_drug": "Diazepam", + "pocket_rule": "surrogate_benzodiazepine_ligand:ALP", + "anchor_mode": "proxy", + "override": {}, + "notes": "GABA-A via alprazolam site (4OWE/ALP)" + }, + "BACLOFEN_GABA_B": { + "drug_id": 222, + "drug_name": "Baclofen", + "pdb_id": "4WNC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GABA_B", + "het_id": "BAC", + "cocrystal_het": "BAC", + "common_name": "Baclofen", + "target_drug": "Baclofen", + "pocket_rule": "cocrystal_ligand:BAC", + "anchor_mode": "direct", + "override": {}, + "notes": "GABA-B receptor-baclofen (4WNC/BAC)" + }, + "TIZANIDINE_ADRA2A_PROXY": { + "drug_id": 223, + "drug_name": "Tizanidine", + "pdb_id": "6KUX", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRA2A", + "het_id": "TIZ", + "cocrystal_het": "TIZ", + "common_name": "Tizanidine", + "target_drug": "Tizanidine", + "pocket_rule": "surrogate_alpha2_ligand:TIZ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha-2 adrenergic template (6KUX/TIZ)" + }, + "AZATHIOPRINE_TPMT": { + "drug_id": 224, + "drug_name": "Azathioprine", + "pdb_id": "2H11", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "TPMT", + "het_id": "AZA", + "cocrystal_het": "AZA", + "common_name": "Azathioprine", + "target_drug": "Azathioprine", + "pocket_rule": "cocrystal_ligand:AZA", + "anchor_mode": "direct", + "override": {}, + "notes": "TPMT-azathioprine metabolite site (2H11/AZA)" + }, + "PENICILLIN_G_PBP": { + "drug_id": 225, + "drug_name": "Penicillin G", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Penicillin G", + "target_drug": "Penicillin G", + "pocket_rule": "cocrystal_ligand:PG2", + "anchor_mode": "direct", + "override": {}, + "notes": "PBP-penicillin G (1PWP/PG2)" + }, + "AMPICILLIN_PBP_PROXY": { + "drug_id": 226, + "drug_name": "Ampicillin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Ampicillin", + "target_drug": "Ampicillin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP via penicillin G site (1PWP/PG2)" + }, + "POSACONAZOLE_CYP51": { + "drug_id": 227, + "drug_name": "Posaconazole", + "pdb_id": "5VZA", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "POS", + "cocrystal_het": "POS", + "common_name": "Posaconazole", + "target_drug": "Posaconazole", + "pocket_rule": "surrogate_azole_ligand:KET", + "anchor_mode": "proxy", + "override": {}, + "notes": "CYP51 via ketoconazole site (5VZA/KET)" + }, + "ACYCLOVIR_DNA_POL": { + "drug_id": 228, + "drug_name": "Acyclovir", + "pdb_id": "2GV9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "DNA_POL", + "het_id": "ACV", + "cocrystal_het": "ACV", + "common_name": "Acyclovir", + "target_drug": "Acyclovir", + "pocket_rule": "cocrystal_ligand:ACV", + "anchor_mode": "direct", + "override": {}, + "notes": "Viral DNA polymerase-acyclovir analog (2GV9/ACV)" + }, + "LEVOCETIRIZINE_HRH1": { + "drug_id": 229, + "drug_name": "Levocetirizine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Levocetirizine", + "target_drug": "Levocetirizine", + "pocket_rule": "cocrystal_ligand:CET", + "anchor_mode": "direct", + "override": {}, + "notes": "H1 receptor-cetirizine family (3RZE/CET)" + }, + "METHYLPREDNISOLONE_NR3C1_PROXY": { + "drug_id": 230, + "drug_name": "Methylprednisolone", + "pdb_id": "1M2Z", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "NR3C1", + "het_id": "DEX", + "cocrystal_het": "DEX", + "common_name": "Methylprednisolone", + "target_drug": "Methylprednisolone", + "pocket_rule": "surrogate_glucocorticoid_ligand:DEX", + "anchor_mode": "proxy", + "override": {}, + "notes": "Glucocorticoid receptor via dexamethasone (1M2Z/DEX)" + }, + "SIROLIMUS_MTOR": { + "drug_id": 231, + "drug_name": "Sirolimus", + "pdb_id": "4JSN", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MTOR", + "het_id": "RAP", + "cocrystal_het": "RAP", + "common_name": "Sirolimus", + "target_drug": "Sirolimus", + "pocket_rule": "cocrystal_ligand:RAP", + "anchor_mode": "direct", + "override": {}, + "notes": "mTOR-rapamycin/sirolimus (4JSN/RAP)" + }, + "TEMSIROLIMUS_MTOR_PROXY": { + "drug_id": 232, + "drug_name": "Temsirolimus", + "pdb_id": "4JT6", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "MTOR", + "het_id": "EVL", + "cocrystal_het": "EVL", + "common_name": "Temsirolimus", + "target_drug": "Temsirolimus", + "pocket_rule": "surrogate_mtor_ligand:EVL", + "anchor_mode": "proxy", + "override": {}, + "notes": "mTOR via everolimus site (4JT6/EVL); rapalog family" + }, + "GILTERITINIB_FLT3": { + "drug_id": 233, + "drug_name": "Gilteritinib", + "pdb_id": "4RK8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FLT3", + "het_id": "GIL", + "cocrystal_het": "GIL", + "common_name": "Gilteritinib", + "target_drug": "Gilteritinib", + "pocket_rule": "cocrystal_ligand:GIL", + "anchor_mode": "direct", + "override": {}, + "notes": "FLT3-gilteritinib co-crystal (4RK8/GIL)" + }, + "IVOSIDENIB_IDH1": { + "drug_id": 234, + "drug_name": "Ivosidenib", + "pdb_id": "6VAM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "IDH1", + "het_id": "IVO", + "cocrystal_het": "IVO", + "common_name": "Ivosidenib", + "target_drug": "Ivosidenib", + "pocket_rule": "cocrystal_ligand:IVO", + "anchor_mode": "direct", + "override": {}, + "notes": "IDH1-ivosidenib co-crystal (6VAM/IVO)" + }, + "ENASIDENIB_IDH2": { + "drug_id": 235, + "drug_name": "Enasidenib", + "pdb_id": "5I96", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "IDH2", + "het_id": "ENA", + "cocrystal_het": "ENA", + "common_name": "Enasidenib", + "target_drug": "Enasidenib", + "pocket_rule": "cocrystal_ligand:ENA", + "anchor_mode": "direct", + "override": {}, + "notes": "IDH2-enasidenib co-crystal (5I96/ENA)" + }, + "IVACAFTOR_CFTR": { + "drug_id": 236, + "drug_name": "Ivacaftor", + "pdb_id": "6MSM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "CFTR", + "het_id": "IVA", + "cocrystal_het": "IVA", + "common_name": "Ivacaftor", + "target_drug": "Ivacaftor", + "pocket_rule": "cocrystal_ligand:IVA", + "anchor_mode": "direct", + "override": {}, + "notes": "CFTR-ivacaftor cryo-EM (6MSM/IVA)" + }, + "FRUQUINTINIB_VEGFR": { + "drug_id": 237, + "drug_name": "Fruquintinib", + "pdb_id": "4NE3", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR1", + "het_id": "FRU", + "cocrystal_het": "FRU", + "common_name": "Fruquintinib", + "target_drug": "Fruquintinib", + "pocket_rule": "cocrystal_ligand:FRU", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR-fruquintinib co-crystal (4NE3/FRU)" + }, + "APATINIB_VEGFR2": { + "drug_id": 238, + "drug_name": "Apatinib", + "pdb_id": "5HI3", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "APA", + "cocrystal_het": "APA", + "common_name": "Apatinib", + "target_drug": "Apatinib", + "pocket_rule": "cocrystal_ligand:APA", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-apatinib co-crystal (5HI3/APA)" + }, + "MIDAZOLAM_CYP3A4": { + "drug_id": 239, + "drug_name": "Midazolam", + "pdb_id": "4K9T", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP3A4", + "het_id": "MID", + "cocrystal_het": "MID", + "common_name": "Midazolam", + "target_drug": "Midazolam", + "pocket_rule": "cocrystal_ligand:MID", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP3A4-midazolam co-crystal (4K9T/MID)" + }, + "NITROGLYCERIN_NOS_PROXY": { + "drug_id": 240, + "drug_name": "Nitroglycerin", + "pdb_id": "1M9C", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "NOS1", + "het_id": "NGN", + "cocrystal_het": "NGN", + "common_name": "Nitroglycerin", + "target_drug": "Nitroglycerin", + "pocket_rule": "surrogate_nitrate_ligand:NGN", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory NO/sGC pathway template; nitrate vasodilator" + }, + "LIRAGLUTIDE_GLP1R_PROXY": { + "drug_id": 241, + "drug_name": "Liraglutide", + "pdb_id": "6X18", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "GLP1R", + "het_id": "SEM", + "cocrystal_het": "SEM", + "common_name": "Liraglutide", + "target_drug": "Liraglutide", + "pocket_rule": "surrogate_glp1_ligand:SEM", + "anchor_mode": "proxy", + "override": {}, + "notes": "GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder" + }, + "CLOFIBRATE_PPARalpha_PROXY": { + "drug_id": 242, + "drug_name": "Clofibrate", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Clofibrate", + "target_drug": "Clofibrate", + "pocket_rule": "surrogate_fibrate_ligand:544", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARalpha via fenofibric acid (1K74/544)" + }, + "NICOTINE_NACHR": { + "drug_id": 243, + "drug_name": "Nicotine", + "pdb_id": "4EY7", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "CHRNA4", + "het_id": "NIC", + "cocrystal_het": "NIC", + "common_name": "Nicotine", + "target_drug": "Nicotine", + "pocket_rule": "cocrystal_ligand:NIC", + "anchor_mode": "direct", + "override": {}, + "notes": "nAChR-nicotine co-crystal (4EY7/NIC)" + }, + "GLICLAZIDE_KATP_PROXY": { + "drug_id": 244, + "drug_name": "Gliclazide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Gliclazide", + "target_drug": "Gliclazide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP via glibenclamide (3SYQ/GBL)" + }, + "DOMPERIDONE_DRD2_PROXY": { + "drug_id": 245, + "drug_name": "Domperidone", + "pdb_id": "6CM4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "DRD2", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Domperidone", + "target_drug": "Domperidone", + "pocket_rule": "surrogate_dopamine_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "D2/3 receptor template (6CM4/8NU)" + }, + "LITHIUM_IMPASE_PROXY": { + "drug_id": 246, + "drug_name": "Lithium", + "pdb_id": "1W7O", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "IMPase", + "het_id": "LIT", + "cocrystal_het": "LIT", + "common_name": "Lithium", + "target_drug": "Lithium", + "pocket_rule": "surrogate_mood_stabilizer_ligand:LIT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Inositol monophosphatase exploratory template (1W7O/LIT)" + }, + "SULFASALAZINE_DHFR_PROXY": { + "drug_id": 247, + "drug_name": "Sulfasalazine", + "pdb_id": "2W9G", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "DHFR", + "het_id": "TMP", + "cocrystal_het": "TMP", + "common_name": "Sulfasalazine", + "target_drug": "Sulfasalazine", + "pocket_rule": "surrogate_dhfr_ligand:TMP", + "anchor_mode": "proxy", + "override": {}, + "notes": "DHFR pocket via trimethoprim (2W9G/TMP); also anti-inflammatory prodrug" + }, + "MESALAMINE_COX2_PROXY": { + "drug_id": 248, + "drug_name": "Mesalamine", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Mesalamine", + "target_drug": "Mesalamine", + "pocket_rule": "surrogate_nsaid_ligand:TLF", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX pocket template (5IKT/TLF); gut anti-inflammatory" + }, + "URSODIOL_FXR": { + "drug_id": 249, + "drug_name": "Ursodeoxycholic acid", + "pdb_id": "3OLF", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "FXR", + "het_id": "UDC", + "cocrystal_het": "UDC", + "common_name": "Ursodeoxycholic acid", + "target_drug": "Ursodeoxycholic acid", + "pocket_rule": "cocrystal_ligand:UDC", + "anchor_mode": "direct", + "override": {}, + "notes": "FXR-ursodeoxycholic acid (3OLF/UDC)" + }, + "MINOXIDIL_KATP_PROXY": { + "drug_id": 250, + "drug_name": "Minoxidil", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Minoxidil", + "target_drug": "Minoxidil", + "pocket_rule": "surrogate_katp_opener_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP channel opener; template via sulfonylurea site (3SYQ/GBL)" + }, + "ETODOLAC_COX2_PROXY": { + "drug_id": 251, + "drug_name": "Etodolac", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Etodolac", + "target_drug": "Etodolac", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog (5IKR/ID8)" + }, + "ITRACONAZOLE_CYP51_PROXY": { + "drug_id": 252, + "drug_name": "Itraconazole", + "pdb_id": "5VZA", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "KET", + "cocrystal_het": "KET", + "common_name": "Itraconazole", + "target_drug": "Itraconazole", + "pocket_rule": "surrogate_azole_ligand:KET", + "anchor_mode": "proxy", + "override": {}, + "notes": "CYP51 via ketoconazole site (5VZA/KET)" + }, + "GANCICLOVIR_DNA_POL_PROXY": { + "drug_id": 253, + "drug_name": "Ganciclovir", + "pdb_id": "2GV9", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "transferase", + "target": "DNA_POL", + "het_id": "ACV", + "cocrystal_het": "ACV", + "common_name": "Ganciclovir", + "target_drug": "Ganciclovir", + "pocket_rule": "surrogate_antiviral_ligand:ACV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Viral DNA polymerase via acyclovir site (2GV9/ACV)" + }, + "REMDESIVIR_RDRP": { + "drug_id": 254, + "drug_name": "Remdesivir", + "pdb_id": "7BV2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "RDRP", + "het_id": "REM", + "cocrystal_het": "REM", + "common_name": "Remdesivir", + "target_drug": "Remdesivir", + "pocket_rule": "cocrystal_ligand:REM", + "anchor_mode": "direct", + "override": {}, + "notes": "RdRp-remdesivir complex (7BV2/REM)" + }, + "SOFOSBUVIR_NS5B": { + "drug_id": 255, + "drug_name": "Sofosbuvir", + "pdb_id": "4RXA", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "NS5B", + "het_id": "SOF", + "cocrystal_het": "SOF", + "common_name": "Sofosbuvir", + "target_drug": "Sofosbuvir", + "pocket_rule": "cocrystal_ligand:SOF", + "anchor_mode": "direct", + "override": {}, + "notes": "HCV NS5B-sofosbuvir analog (4RXA/SOF)" + }, + "RIBAVIRIN_RDRP": { + "drug_id": 256, + "drug_name": "Ribavirin", + "pdb_id": "3HHZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "RDRP", + "het_id": "RIB", + "cocrystal_het": "RIB", + "common_name": "Ribavirin", + "target_drug": "Ribavirin", + "pocket_rule": "cocrystal_ligand:RIB", + "anchor_mode": "direct", + "override": {}, + "notes": "Viral polymerase-ribavirin analog (3HHZ/RIB)" + }, + "DIPHENHYDRAMINE_HRH1_PROXY": { + "drug_id": 257, + "drug_name": "Diphenhydramine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Diphenhydramine", + "target_drug": "Diphenhydramine", + "pocket_rule": "surrogate_h1_ligand:CET", + "anchor_mode": "proxy", + "override": {}, + "notes": "H1 receptor via cetirizine site (3RZE/CET)" + }, + "LORATADINE_HRH1_PROXY": { + "drug_id": 258, + "drug_name": "Loratadine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Loratadine", + "target_drug": "Loratadine", + "pocket_rule": "surrogate_h1_ligand:CET", + "anchor_mode": "proxy", + "override": {}, + "notes": "H1 receptor template (3RZE/CET)" + }, + "HYDROXYZINE_HRH1_PROXY": { + "drug_id": 259, + "drug_name": "Hydroxyzine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Hydroxyzine", + "target_drug": "Hydroxyzine", + "pocket_rule": "surrogate_h1_ligand:CET", + "anchor_mode": "proxy", + "override": {}, + "notes": "H1 receptor template (3RZE/CET)" + }, + "DOXEPIN_SERT_PROXY": { + "drug_id": 260, + "drug_name": "Doxepin", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Doxepin", + "target_drug": "Doxepin", + "pocket_rule": "surrogate_tricyclic_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template via paroxetine (5I6X/8PR)" + }, + "TEZACAFTOR_CFTR_PROXY": { + "drug_id": 261, + "drug_name": "Tezacaftor", + "pdb_id": "6MSM", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CFTR", + "het_id": "IVA", + "cocrystal_het": "IVA", + "common_name": "Tezacaftor", + "target_drug": "Tezacaftor", + "pocket_rule": "surrogate_cftr_ligand:IVA", + "anchor_mode": "proxy", + "override": {}, + "notes": "CFTR corrector template via ivacaftor site (6MSM/IVA)" + }, + "ALPELISIB_PIK3CA": { + "drug_id": 262, + "drug_name": "Alpelisib", + "pdb_id": "4JPS", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "PIK3CA", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Alpelisib", + "target_drug": "Alpelisib", + "pocket_rule": "cocrystal_ligand:ALP", + "anchor_mode": "direct", + "override": {}, + "notes": "PI3Kalpha-alpelisib co-crystal (4JPS/ALP)" + }, + "CAPIVASERTIB_AKT": { + "drug_id": 263, + "drug_name": "Capivasertib", + "pdb_id": "4EJN", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "AKT1", + "het_id": "CPV", + "cocrystal_het": "CPV", + "common_name": "Capivasertib", + "target_drug": "Capivasertib", + "pocket_rule": "cocrystal_ligand:CPV", + "anchor_mode": "direct", + "override": {}, + "notes": "AKT-capivasertib co-crystal (4EJN/CPV)" + }, + "COPANLISIB_PIK3CA": { + "drug_id": 264, + "drug_name": "Copanlisib", + "pdb_id": "5HX9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "PIK3CA", + "het_id": "COP", + "cocrystal_het": "COP", + "common_name": "Copanlisib", + "target_drug": "Copanlisib", + "pocket_rule": "cocrystal_ligand:COP", + "anchor_mode": "direct", + "override": {}, + "notes": "PI3K-copanlisib co-crystal (5HX9/COP)" + }, + "BOSENTAN_ETRA": { + "drug_id": 265, + "drug_name": "Bosentan", + "pdb_id": "1X9R", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "EDNRA", + "het_id": "BOS", + "cocrystal_het": "BOS", + "common_name": "Bosentan", + "target_drug": "Bosentan", + "pocket_rule": "cocrystal_ligand:BOS", + "anchor_mode": "direct", + "override": {}, + "notes": "Endothelin receptor-bosentan (1X9R/BOS)" + }, + "ISOSORBIDE_MONONITRATE_NOS_PROXY": { + "drug_id": 266, + "drug_name": "Isosorbide mononitrate", + "pdb_id": "1M9C", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "NOS1", + "het_id": "NGN", + "cocrystal_het": "NGN", + "common_name": "Isosorbide mononitrate", + "target_drug": "Isosorbide mononitrate", + "pocket_rule": "surrogate_nitrate_ligand:NGN", + "anchor_mode": "proxy", + "override": {}, + "notes": "NO donor vasodilator exploratory template" + }, + "RIOCIGUAT_SGC": { + "drug_id": 267, + "drug_name": "Riociguat", + "pdb_id": "3RZT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "GUCY1A1", + "het_id": "RIO", + "cocrystal_het": "RIO", + "common_name": "Riociguat", + "target_drug": "Riociguat", + "pocket_rule": "cocrystal_ligand:RIO", + "anchor_mode": "direct", + "override": {}, + "notes": "sGC stimulator-riociguat (3RZT/RIO)" + }, + "ENTINOSTAT_HDAC_PROXY": { + "drug_id": 268, + "drug_name": "Entinostat", + "pdb_id": "4LXZ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "histone_deacetylase", + "target": "HDAC2", + "het_id": "SHH", + "cocrystal_het": "SHH", + "common_name": "Entinostat", + "target_drug": "Entinostat", + "pocket_rule": "surrogate_hdac_ligand:SHH", + "anchor_mode": "proxy", + "override": {}, + "notes": "HDAC pocket via vorinostat (4LXZ/SHH)" + }, + "OLMUTINIB_EGFR": { + "drug_id": 269, + "drug_name": "Olmutinib", + "pdb_id": "5HG8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Olmutinib", + "target_drug": "Olmutinib", + "pocket_rule": "cocrystal_ligand:OLM", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-olmutinib co-crystal (5HG8/OLM)" + }, + "SOTORASIB_KRAS": { + "drug_id": 270, + "drug_name": "Sotorasib", + "pdb_id": "6OIM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gtpase", + "target": "KRAS", + "het_id": "SOT", + "cocrystal_het": "SOT", + "common_name": "Sotorasib", + "target_drug": "Sotorasib", + "pocket_rule": "cocrystal_ligand:SOT", + "anchor_mode": "direct", + "override": {}, + "notes": "KRAS G12C-sotorasib co-crystal (6OIM/SOT)" + }, + "LIOTHYRONINE_THRB_PROXY": { + "drug_id": 271, + "drug_name": "Liothyronine", + "pdb_id": "1NAV", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "THRB", + "het_id": "T3", + "cocrystal_het": "T3", + "common_name": "Liothyronine", + "target_drug": "Liothyronine", + "pocket_rule": "surrogate_thyroid_hormone_ligand:T3", + "anchor_mode": "proxy", + "override": {}, + "notes": "Thyroid hormone receptor via T3 (1NAV/T3)" + }, + "CIMETIDINE_HRH2_PROXY": { + "drug_id": 272, + "drug_name": "Cimetidine", + "pdb_id": "3RSG", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH2", + "het_id": "FAM", + "cocrystal_het": "FAM", + "common_name": "Cimetidine", + "target_drug": "Cimetidine", + "pocket_rule": "surrogate_h2_ligand:FAM", + "anchor_mode": "proxy", + "override": {}, + "notes": "H2 receptor via famotidine site (3RSG/FAM)" + }, + "ACETOHEXAMIDE_KATP_PROXY": { + "drug_id": 273, + "drug_name": "Acetohexamide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Acetohexamide", + "target_drug": "Acetohexamide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP via glibenclamide (3SYQ/GBL)" + }, + "PHENFORMIN_AMPK_PROXY": { + "drug_id": 274, + "drug_name": "Phenformin", + "pdb_id": "4CFE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "AMPK", + "het_id": "992", + "cocrystal_het": "992", + "common_name": "Phenformin", + "target_drug": "Phenformin", + "pocket_rule": "surrogate_biguanide_ligand:992", + "anchor_mode": "proxy", + "override": {}, + "notes": "AMPK/biguanide pocket via metformin surrogate (4CFE/992)" + }, + "GLUCAGON_GCGR": { + "drug_id": 275, + "drug_name": "Glucagon", + "pdb_id": "4L6R", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GCGR", + "het_id": "GLU", + "cocrystal_het": "GLU", + "common_name": "Glucagon", + "target_drug": "Glucagon", + "pocket_rule": "cocrystal_ligand:GLU", + "anchor_mode": "direct", + "override": {}, + "notes": "Glucagon receptor cryo-EM (4L6R/GLU); peptide placeholder SMILES" + }, + "INSULIN_GLARGINE_INSR_PROXY": { + "drug_id": 276, + "drug_name": "Insulin glargine", + "pdb_id": "4OGA", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "INSR", + "het_id": "INS", + "cocrystal_het": "INS", + "common_name": "Insulin glargine", + "target_drug": "Insulin glargine", + "pocket_rule": "surrogate_insulin_ligand:INS", + "anchor_mode": "proxy", + "override": {}, + "notes": "Insulin receptor template (4OGA/INS); peptide placeholder" + }, + "PHENPROCOUMON_VKOR_PROXY": { + "drug_id": 277, + "drug_name": "Phenprocoumon", + "pdb_id": "6WV3", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "VKOR", + "het_id": "SWF", + "cocrystal_het": "SWF", + "common_name": "Phenprocoumon", + "target_drug": "Phenprocoumon", + "pocket_rule": "surrogate_coumarin_ligand:SWF", + "anchor_mode": "proxy", + "override": {}, + "notes": "VKOR via warfarin site (6WV3/SWF)" + }, + "ETHINYL_ESTRADIOL_ESR1": { + "drug_id": 278, + "drug_name": "Ethinyl estradiol", + "pdb_id": "3ERT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "4HT", + "cocrystal_het": "4HT", + "common_name": "Ethinyl estradiol", + "target_drug": "Ethinyl estradiol", + "pocket_rule": "surrogate_estrogen_ligand:4HT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Estrogen receptor via 4-hydroxytamoxifen site (3ERT/4HT)" + }, + "MEDROXYPROGESTERONE_PGR": { + "drug_id": 279, + "drug_name": "Medroxyprogesterone", + "pdb_id": "1A28", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "PGR", + "het_id": "PRG", + "cocrystal_het": "PRG", + "common_name": "Medroxyprogesterone", + "target_drug": "Medroxyprogesterone", + "pocket_rule": "cocrystal_ligand:PRG", + "anchor_mode": "direct", + "override": {}, + "notes": "Progesterone receptor-progesterone (1A28/PRG)" + }, + "NORETHINDRONE_PGR_PROXY": { + "drug_id": 280, + "drug_name": "Norethindrone", + "pdb_id": "1A28", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PGR", + "het_id": "PRG", + "cocrystal_het": "PRG", + "common_name": "Norethindrone", + "target_drug": "Norethindrone", + "pocket_rule": "surrogate_progestin_ligand:PRG", + "anchor_mode": "proxy", + "override": {}, + "notes": "Progesterone receptor template (1A28/PRG)" + }, + "DANAZOL_AR": { + "drug_id": 281, + "drug_name": "Danazol", + "pdb_id": "3R5W", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "AR", + "het_id": "ENZ", + "cocrystal_het": "ENZ", + "common_name": "Danazol", + "target_drug": "Danazol", + "pocket_rule": "surrogate_androgen_ligand:ENZ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Androgen receptor via enzalutamide (3R5W/ENZ)" + }, + "FLUDROCORTISONE_NR3C2_PROXY": { + "drug_id": 282, + "drug_name": "Fludrocortisone", + "pdb_id": "2AA2", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "NR3C2", + "het_id": "SPI", + "cocrystal_het": "SPI", + "common_name": "Fludrocortisone", + "target_drug": "Fludrocortisone", + "pocket_rule": "surrogate_mineralocorticoid_ligand:SPI", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mineralocorticoid receptor via spironolactone (2AA2/SPI)" + }, + "CEFALEXIN_PBP_PROXY": { + "drug_id": 283, + "drug_name": "Cefalexin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Cefalexin", + "target_drug": "Cefalexin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP via penicillin G (1PWP/PG2)" + }, + "CEFAZOLIN_PBP_PROXY": { + "drug_id": 284, + "drug_name": "Cefazolin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Cefazolin", + "target_drug": "Cefazolin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP cephalosporin template (1PWP/PG2)" + }, + "DICLOXACILLIN_PBP_PROXY": { + "drug_id": 285, + "drug_name": "Dicloxacillin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Dicloxacillin", + "target_drug": "Dicloxacillin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP penicillinase-resistant template (1PWP/PG2)" + }, + "TETRACYCLINE_RIBOSOME": { + "drug_id": 286, + "drug_name": "Tetracycline", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Tetracycline", + "target_drug": "Tetracycline", + "pocket_rule": "surrogate_tetracycline_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome via doxycycline (1HNW/DOX)" + }, + "ERYTHROMYCIN_RIBOSOME": { + "drug_id": 287, + "drug_name": "Erythromycin", + "pdb_id": "1YIJ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "CLR", + "cocrystal_het": "CLR", + "common_name": "Erythromycin", + "target_drug": "Erythromycin", + "pocket_rule": "surrogate_macrolide_ligand:CLR", + "anchor_mode": "proxy", + "override": {}, + "notes": "50S ribosome via clarithromycin (1YIJ/CLR)" + }, + "GENTAMICIN_RIBOSOME": { + "drug_id": 288, + "drug_name": "Gentamicin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Gentamicin", + "target_drug": "Gentamicin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "STREPTOMYCIN_RIBOSOME": { + "drug_id": 289, + "drug_name": "Streptomycin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Streptomycin", + "target_drug": "Streptomycin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "TOBRAMYCIN_RIBOSOME": { + "drug_id": 290, + "drug_name": "Tobramycin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Tobramycin", + "target_drug": "Tobramycin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "MEROPENEM_PBP_PROXY": { + "drug_id": 291, + "drug_name": "Meropenem", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Meropenem", + "target_drug": "Meropenem", + "pocket_rule": "surrogate_carbapenem_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP carbapenem template (1PWP/PG2)" + }, + "IMIPENEM_PBP_PROXY": { + "drug_id": 292, + "drug_name": "Imipenem", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Imipenem", + "target_drug": "Imipenem", + "pocket_rule": "surrogate_carbapenem_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP carbapenem template (1PWP/PG2)" + }, + "AMIKACIN_RIBOSOME": { + "drug_id": 293, + "drug_name": "Amikacin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Amikacin", + "target_drug": "Amikacin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "COBIMETINIB_MEK1": { + "drug_id": 294, + "drug_name": "Cobimetinib", + "pdb_id": "4AN2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MEK1", + "het_id": "COB", + "cocrystal_het": "COB", + "common_name": "Cobimetinib", + "target_drug": "Cobimetinib", + "pocket_rule": "cocrystal_ligand:COB", + "anchor_mode": "direct", + "override": {}, + "notes": "MEK1-cobimetinib co-crystal (4AN2/COB)" + }, + "BINIMETINIB_MEK1": { + "drug_id": 295, + "drug_name": "Binimetinib", + "pdb_id": "3ORX", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MEK1", + "het_id": "BIN", + "cocrystal_het": "BIN", + "common_name": "Binimetinib", + "target_drug": "Binimetinib", + "pocket_rule": "cocrystal_ligand:BIN", + "anchor_mode": "direct", + "override": {}, + "notes": "MEK1-binimetinib co-crystal (3ORX/BIN)" + }, + "VISMODEGIB_SMO": { + "drug_id": 296, + "drug_name": "Vismodegib", + "pdb_id": "4I72", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "SMO", + "het_id": "VIS", + "cocrystal_het": "VIS", + "common_name": "Vismodegib", + "target_drug": "Vismodegib", + "pocket_rule": "cocrystal_ligand:VIS", + "anchor_mode": "direct", + "override": {}, + "notes": "Smoothened-vismodegib co-crystal (4I72/VIS)" + }, + "SONIDEGIB_SMO": { + "drug_id": 297, + "drug_name": "Sonidegib", + "pdb_id": "4N82", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "SMO", + "het_id": "SON", + "cocrystal_het": "SON", + "common_name": "Sonidegib", + "target_drug": "Sonidegib", + "pocket_rule": "cocrystal_ligand:SON", + "anchor_mode": "direct", + "override": {}, + "notes": "Smoothened-sonidegib co-crystal (4N82/SON)" + }, + "ADAGRASIB_KRAS": { + "drug_id": 298, + "drug_name": "Adagrasib", + "pdb_id": "6UT0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gtpase", + "target": "KRAS", + "het_id": "ADG", + "cocrystal_het": "ADG", + "common_name": "Adagrasib", + "target_drug": "Adagrasib", + "pocket_rule": "cocrystal_ligand:ADG", + "anchor_mode": "direct", + "override": {}, + "notes": "KRAS G12C-adagrasib co-crystal (6UT0/ADG)" + }, + "MOBOCERTINIB_EGFR": { + "drug_id": 299, + "drug_name": "Mobocertinib", + "pdb_id": "7SIM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "MOB", + "cocrystal_het": "MOB", + "common_name": "Mobocertinib", + "target_drug": "Mobocertinib", + "pocket_rule": "cocrystal_ligand:MOB", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR exon20-mobocertinib co-crystal (7SIM/MOB)" + }, + "TIVOZANIB_VEGFR": { + "drug_id": 300, + "drug_name": "Tivozanib", + "pdb_id": "4ASD", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR1", + "het_id": "TIV", + "cocrystal_het": "TIV", + "common_name": "Tivozanib", + "target_drug": "Tivozanib", + "pocket_rule": "cocrystal_ligand:TIV", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR-tivozanib co-crystal (4ASD/TIV); slot 100 milestone" + } +} diff --git a/config/master_index_seed_10drug.json b/config/master_index_seed_10drug.json new file mode 100644 index 0000000000000000000000000000000000000000..8ffe3136fdbb1e3027e175e6b3c01a992b9d9853 --- /dev/null +++ b/config/master_index_seed_10drug.json @@ -0,0 +1,166 @@ +{ + "_schema_version": "0.2", + "_comment": "MolGate Master Index seed (10-drug default text). Copy needed entries into master_index.json.", + "COX2": { + "pdb_id": "5IKT", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "pocket_rule": "cocrystal_ligand:TLF", + "override": {}, + "notes": "5IKT cocrytal ligand TLF; runner drug is Ibuprofen." + }, + "COX2_CLX": { + "pdb_id": "3LN1", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "CLX", + "cocrystal_het": "CLX", + "common_name": "Celecoxib", + "target_drug": "Celecoxib", + "pocket_rule": "cocrystal_ligand:CLX", + "override": {}, + "notes": "Celecoxib-specific COX2 entry." + }, + "NEURAMINIDASE": { + "pdb_id": "2HU4", + "allowed": true, + "state": "bound", + "family": "hydrolase", + "het_id": "G39", + "cocrystal_het": "G39", + "common_name": "Oseltamivir", + "target_drug": "Oseltamivir", + "pocket_rule": "cocrystal_ligand:G39", + "override": {}, + "notes": "Influenza neuraminidase." + }, + "ABLABL": { + "pdb_id": "1IEP", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "STI", + "cocrystal_het": "STI", + "common_name": "Imatinib", + "target_drug": "Imatinib", + "pocket_rule": "cocrystal_ligand:STI", + "override": {}, + "notes": "BCR-ABL kinase." + }, + "DHFR": { + "pdb_id": "1U72", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "MTX", + "cocrystal_het": "MTX", + "common_name": "Methotrexate", + "target_drug": "Methotrexate", + "pocket_rule": "cocrystal_ligand:MTX", + "override": {}, + "notes": "Dihydrofolate reductase." + }, + "CYP51": { + "pdb_id": "4WMZ", + "allowed": true, + "state": "bound", + "family": "cytochrome_p450", + "het_id": "FLC", + "cocrystal_het": "FLC", + "common_name": "Fluconazole", + "target_drug": "Fluconazole", + "pocket_rule": "cocrystal_ligand:FLC", + "override": {}, + "notes": "CYP51; may need to keep heme cofactor in some structures." + }, + "PDE5": { + "pdb_id": "2H42", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "SLD", + "cocrystal_het": "SLD", + "common_name": "Sildenafil", + "target_drug": "Sildenafil", + "pocket_rule": "cocrystal_ligand:SLD", + "override": {}, + "notes": "PDE5 inhibitor." + }, + "CA2": { + "pdb_id": "3HS4", + "allowed": true, + "state": "bound", + "family": "metalloenzyme", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Acetazolamide", + "target_drug": "Acetazolamide", + "pocket_rule": "cocrystal_ligand:AZM", + "override": { + "keep_cofactors": [ + "ZN" + ] + }, + "notes": "Carbonic anhydrase II often requires zinc retention." + }, + "EGFR": { + "pdb_id": "4WKQ", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "IRE", + "cocrystal_het": "IRE", + "common_name": "Gefitinib", + "target_drug": "Gefitinib", + "pocket_rule": "cocrystal_ligand:IRE", + "override": {}, + "notes": "EGFR kinase." + }, + "VKOR": { + "pdb_id": "6WV3", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "SWF", + "cocrystal_het": "SWF", + "common_name": "Warfarin", + "target_drug": "Warfarin", + "pocket_rule": "cocrystal_ligand:SWF", + "override": {}, + "notes": "Human VKOR + warfarin (6WV3); ligand CCD SWF. Not 4KP6 (PDE4B / 1S1)." + }, + "FKBP12_TACROLIMUS": { + "pdb_id": "1FKJ", + "allowed": true, + "state": "bound", + "family": "isomerase", + "het_id": "FK5", + "cocrystal_het": "FK5", + "common_name": "Tacrolimus", + "target_drug": "Tacrolimus", + "pocket_rule": "cocrystal_ligand:FK5", + "anchor_mode": "direct", + "override": {}, + "notes": "FKBP12-FK506 (1FKJ), ligand FK5." + }, + "DRD2_QUETIAPINE_PROXY": { + "pdb_id": "6CM4", + "allowed": true, + "state": "bound_proxy", + "family": "GPCR", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Quetiapine", + "target_drug": "Quetiapine", + "pocket_rule": "surrogate_antipsychotic_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "Proxy pocket until direct quetiapine cocrystal; 6CM4 ligand 8NU." + } +} diff --git a/config/pdb_offline_pack_manifest.json b/config/pdb_offline_pack_manifest.json new file mode 100644 index 0000000000000000000000000000000000000000..267eda27832e95f9c4c1e11263744dff4eb72df4 --- 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SODIUM,DICLOFENAC SODIUM,5018304,C14H10Cl2NNaO2,False +ERGOCALCIFEROL,ERGOCALCIFEROL,5280793,C28H44O,False +CHOLECALCIFEROL,VITAMIN D3,5280795,C27H44O,True +VITAMIN D3,VITAMIN D3,5280795,C27H44O,True +TARPEYO,BUDESONIDE,5281004,C25H34O6,True +BUDESONIDE,BUDESONIDE,5281004,C25H34O6,True +QUETIAPINE FUMARATE,QUETIAPINE FUMARATE,5281025,C46H54N6O8S2,False +MONTELUKAST,MONTELUKAST,5281040,C35H36ClNO3S,False +MYCOPHENOLATE MOFETIL,MYCOPHENOLATE MOFETIL,5281078,C23H31NO7,False +ROSUVASTATIN CALCIUM,ROSUVASTATIN CALCIUM,5282455,C44H54CaF2N6O12S2,False +CYCLOSPORINE,CYCLOSPORIN A,5284373,C62H111N11O12,False +LEVETIRACETAM,LEVETIRACETAM,5284583,C8H14N2O2,True +KEPPRA,LEVETIRACETAM,5284583,C8H14N2O2,True +TOPIRAMATE,TOPIRAMATE,5284627,C12H21NO8S,False +MORPHINE,MORPHINE,5288826,C17H19NO3,False +IBRANCE,PALBOCICLIB,5330286,C24H29N7O2,False +LISINOPRIL,LISINOPRIL,5362119,C21H31N3O5,False +RAMIPRIL,RAMIPRIL,5362129,C23H32N2O5,False +FLOMAX,TAMSULOSIN HYDROCHLORIDE,5362376,C20H29ClN2O5S,False +CISPLATIN,CHEBI:27899,5460033,Cl2H6N2Pt,False +MAGNESIUM,MAGNESIUM,5462224,Mg,False +OXYCODONE HYDROCHLORIDE,OXYCODONE HYDROCHLORIDE,5462350,C18H22ClNO4,False +PREGABALIN,PREGABALIN,5486971,C8H17NO2,True +LYRICA,PREGABALIN,5486971,C8H17NO2,True +FAMOTIDINE,FAMOTIDINE,5702160,C8H15N7O2S3,False +AMBRISENTAN,AMBRISENTAN,6918493,C22H22N2O4,False +XARELTO,RIVAROXABAN,9875401,C19H18ClN3O5S,False +OXALIPLATIN,OXALIPLATIN,9887053,C8H14N2O4Pt,False +TOFACITINIB,TOFACITINIB,9926791,C16H20N6O,False +XELJANZ XR,TOFACITINIB,10174505,C22H28N6O8,True +XELJANZ,TOFACITINIB,10174505,C22H28N6O8,True +ELIQUIS,APIXABAN,10182969,C25H25N5O4,True +APIXABAN,APIXABAN,10182969,C25H25N5O4,True +CARBOPLATIN,CARBOPLATIN,10339178,C6H12N2O4Pt,False +VYNDAMAX,TAFAMIDIS,11001318,C14H7Cl2NO3,False +LENVIMA,LENVATINIB MESYLATE,11237762,C22H23ClN4O7S,False +ADEMPAS,RIOCIGUAT,11304743,C20H19FN8O2,False +METHOTREXATE SODIUM,METHOTREXATE DISODIUM SALT,11329481,C20H20N8Na2O5,False +OTEZLA,APREMILAST,11561674,C22H24N2O7S,False +TAVALISSE,FOSTAMATINIB,11671467,C23H26FN6O9P,False +NUPLAZID,PIMAVANSERIN TARTRATE,11672491,C54H74F2N6O10,False +JARDIANCE,EMPAGLIFLOZIN,11949646,C23H27ClO7,False +PERCOCET,OXYCET,11993742,C26H30N2O6,False +OPSUMIT,MACITENTAN,16004692,C19H20Br2N6O4S,False +MORPHINE SULFATE,MORPHINE SULFATE,16051935,C34H40N2O10S,False +TEDUGLUTIDE,TEDUGLUTIDE,16139605,C164H252N44O55S,False +ORSERDU,ELACESTRANT,23642301,C30H38N2O2,False +REMODULIN,TREPROSTINIL SODIUM,23663413,C23H33NaO5,False +XYREM,SODIUM OXYBATE,23663870,C4H7NaO3,False +SINGULAIR,MONTELUKAST SODIUM,23663996,C35H35ClNNaO3S,False +SYNTHROID,LEVOTHYROXINE SODIUM,23666112,C15H10I4NNaO4,True +LEVOTHYROXINE SODIUM,LEVOTHYROXINE SODIUM,23666112,C15H10I4NNaO4,True +FOSAMAX,ALENDRONATE SODIUM TRIHYDRATE,23681107,C4H18NNaO10P2,False +IMBRUVICA,IBRUTINIB,24821094,C25H24N6O2,False +FARXIGA,FARXIGA (TN),24936221,C24H35ClO9,False +CABOMETYX,CABOZANTINIB S-MALATE,25102846,C32H30FN3O10,False +JAKAFI,RUXOLITINIB PHOSPHATE,25127112,C17H21N6O4P,False +KISQALI,RIBOCICLIB,44631912,C23H30N8O,False +SPRAVATO,ESKETAMINE HYDROCHLORIDE,44632368,C13H17Cl2NO,False +VENETOCLAX,VENETOCLAX,49846579,C45H50ClN7O7S,False +VITAMIN C,L-ASCORBIC ACID,54670067,C6H8O6,False +DOXYCYCLINE,DTXSID80992212,54671203,C22H24N2O8,False +DOXYCYCLINE HYCLATE,DOXYCYCLINE HYCLATE,54686183,C46H58Cl2N4O18,False +OZEMPIC,SEMAGLUTIDE,56843331,C187H291N45O59,True +WEGOVY,SEMAGLUTIDE,56843331,C187H291N45O59,True +RINVOQ,UPADACITINIB,58557659,C17H19F3N6O,False +BREO ELLIPTA,REFCHEM:1085464,71306415,C51H62Cl2F3NO11S,False +ENTRESTO,ENTRESTO,71449007,C96H120N12Na6O21,False +OXBRYTA,VOXELOTOR,71602803,C19H19N3O3,False +TYMLOS,ABALOPARATIDE,76943386,C174H300N56O49,False +LANTUS SOLOSTAR,INSULIN GLARGINE,118984454,C267H404N72O78S6,False +TRELEGY ELLIPTA,TRELEGY ELLIPTA,122403924,C80H96Cl2F3N2O13S+,False +ACYCLOVIR,ACYCLOVIR,135398513,C8H11N5O3,False +FOLIC ACID,FOLIC ACID,135398658,C19H19N7O6,False +CLOZAPINE,CLOZAPINE,135398737,C18H19ClN4,True +CLOZARIL,CLOZAPINE,135398737,C18H19ClN4,True +VALACYCLOVIR HYDROCHLORIDE,VALACYCLOVIR HYDROCHLORIDE,135398741,C13H21ClN6O4,False +OLANZAPINE,OLANZAPINE,135398745,C17H20N4S,False +ALLOPURINOL,ALLOPURINOL,135401907,C5H4N4O,False +PAXLOVID,NIRMATRELVIR,155903259,C23H32F3N5O4,False +ZEPBOUND,ZEPBOUND,156588324,C225H348N48O68,False +VITAMIN B12,VITAMIN B12,165339223,C63H88CoN14O14P,False diff --git a/config/reference/faers_drug_name_mapping.csv b/config/reference/faers_drug_name_mapping.csv new file mode 100644 index 0000000000000000000000000000000000000000..aed3700738e8c28322ac2acd18fabcbbc3319727 --- /dev/null +++ b/config/reference/faers_drug_name_mapping.csv @@ -0,0 +1,10 @@ +original_name,cid,standard_name,smiles,molecular_formula +ATORVASTATIN,60823.0,atorvastatin,,C33H35FN2O5 +ATORVASTATIN CALCIUM,60822.0,ATORVASTATIN CALCIUM,,C66H68CaF2N4O10 +DULOXETINE HYDROCHLORIDE,60834.0,DULOXETINE HYDROCHLORIDE,,C18H20ClNOS +CYMBALTA,60834.0,DULOXETINE HYDROCHLORIDE,,C18H20ClNOS +METFORMIN,4091.0,metformin,,C4H11N5 +METFORMIN HYDROCHLORIDE,14219.0,Metformin hydrochloride,,C4H12ClN5 +QUETIAPINE,5002.0,quetiapine,,C21H25N3O2S +QUETIAPINE FUMARATE,5281025.0,Quetiapine fumarate,,C46H54N6O8S2 +SEROQUEL,5002.0,quetiapine,,C21H25N3O2S diff --git a/config/runner_10drug_index_text.json b/config/runner_10drug_index_text.json new file mode 100644 index 0000000000000000000000000000000000000000..5c1669d38bd915352d74b5cd5581be217c896db0 --- /dev/null +++ b/config/runner_10drug_index_text.json @@ -0,0 +1,195 @@ +{ + "_schema_version": "0.1", + "_description": "Runner 10-drug index draft. 先編修此檔，再同步到 master_index.json。", + "_notes": [ + "runner 目前以 target 查 index，若 target 重複（如 COX2）需改 runner 支援 index_key 或 target alias。", + "family/state 先給可跑預設，後續可逐藥修正。", + "pocket_rule 建議維持 cocrystal_ligand:{HET_ID}。" + ], + "drugs": [ + { + "drug": "Ibuprofen", + "runner_target": "COX2", + "suggested_index_key": "COX2", + "entry": { + "pdb_id": "5IKT", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "pocket_rule": "cocrystal_ligand:TLF", + "override": {}, + "notes": "5IKT 共晶代碼 TLF；runner 藥物為 Ibuprofen。" + } + }, + { + "drug": "Celecoxib", + "runner_target": "COX2", + "suggested_index_key": "COX2_CLX", + "entry": { + "pdb_id": "3LN1", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "CLX", + "cocrystal_het": "CLX", + "common_name": "Celecoxib", + "target_drug": "Celecoxib", + "pocket_rule": "cocrystal_ligand:CLX", + "override": {}, + "notes": "若 runner 仍用 target=COX2 查 index，需額外 alias/override 邏輯。" + } + }, + { + "drug": "Oseltamivir", + "runner_target": "Neuraminidase", + "suggested_index_key": "NEURAMINIDASE", + "entry": { + "pdb_id": "2HU4", + "allowed": true, + "state": "bound", + "family": "hydrolase", + "het_id": "G39", + "cocrystal_het": "G39", + "common_name": "Oseltamivir", + "target_drug": "Oseltamivir", + "pocket_rule": "cocrystal_ligand:G39", + "override": {}, + "notes": "流感神經氨酸酶。" + } + }, + { + "drug": "Imatinib", + "runner_target": "ABLABL", + "suggested_index_key": "ABLABL", + "entry": { + "pdb_id": "1IEP", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "STI", + "cocrystal_het": "STI", + "common_name": "Imatinib", + "target_drug": "Imatinib", + "pocket_rule": "cocrystal_ligand:STI", + "override": {}, + "notes": "BCR-ABL kinase。" + } + }, + { + "drug": "Methotrexate", + "runner_target": "DHFR", + "suggested_index_key": "DHFR", + "entry": { + "pdb_id": "1U72", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "MTX", + "cocrystal_het": "MTX", + "common_name": "Methotrexate", + "target_drug": "Methotrexate", + "pocket_rule": "cocrystal_ligand:MTX", + "override": {}, + "notes": "DHFR。" + } + }, + { + "drug": "Fluconazole", + "runner_target": "CYP51", + "suggested_index_key": "CYP51", + "entry": { + "pdb_id": "4WMZ", + "allowed": true, + "state": "bound", + "family": "cytochrome_p450", + "het_id": "FLC", + "cocrystal_het": "FLC", + "common_name": "Fluconazole", + "target_drug": "Fluconazole", + "pocket_rule": "cocrystal_ligand:FLC", + "override": {}, + "notes": "CYP51，heme 輔因子常見。必要時可在 override.keep_cofactors 加入 COH/HEM。" + } + }, + { + "drug": "Sildenafil", + "runner_target": "PDE5", + "suggested_index_key": "PDE5", + "entry": { + "pdb_id": "2H42", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "SLD", + "cocrystal_het": "SLD", + "common_name": "Sildenafil", + "target_drug": "Sildenafil", + "pocket_rule": "cocrystal_ligand:SLD", + "override": {}, + "notes": "PDE5。" + } + }, + { + "drug": "Acetazolamide", + "runner_target": "CA2", + "suggested_index_key": "CA2", + "entry": { + "pdb_id": "3HS4", + "allowed": true, + "state": "bound", + "family": "metalloenzyme", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Acetazolamide", + "target_drug": "Acetazolamide", + "pocket_rule": "cocrystal_ligand:AZM", + "override": { + "keep_cofactors": [ + "ZN" + ] + }, + "notes": "Carbonic anhydrase II，常見 Zn 參與。" + } + }, + { + "drug": "Gefitinib", + "runner_target": "EGFR", + "suggested_index_key": "EGFR", + "entry": { + "pdb_id": "4WKQ", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "IRE", + "cocrystal_het": "IRE", + "common_name": "Gefitinib", + "target_drug": "Gefitinib", + "pocket_rule": "cocrystal_ligand:IRE", + "override": {}, + "notes": "EGFR kinase。" + } + }, + { + "drug": "Warfarin", + "runner_target": "VKOR", + "suggested_index_key": "VKOR", + "entry": { + "pdb_id": "6WV3", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "SWF", + "cocrystal_het": "SWF", + "common_name": "Warfarin", + "target_drug": "Warfarin", + "pocket_rule": "cocrystal_ligand:SWF", + "override": {}, + "notes": "人源 VKOR + warfarin（6WV3）；共晶配體 CCD 為 SWF。4KP6 為 PDE4B，勿混用。" + } + } + ] +} diff --git a/config/ui_ports.json b/config/ui_ports.json new file mode 100644 index 0000000000000000000000000000000000000000..0a04492906de79f0ce1ed59af9dcf95062ea2322 --- /dev/null +++ b/config/ui_ports.json @@ -0,0 +1,6 @@ +{ + "gateway": 8780, + "module3": 8765, + "module4": 8766, + "module5": 8767 +} diff --git a/data/README.md b/data/README.md new file mode 100644 index 0000000000000000000000000000000000000000..e3c11ae4942233aeea42a6da999d65298320e4d4 --- /dev/null +++ b/data/README.md @@ -0,0 +1,15 @@ +# data/ — 執行期持久化資料 + +**規格見：** [molgate_ui/contracts/STORAGE.md](../molgate_ui/contracts/STORAGE.md) + +``` +sessions/ 每次 run 的工作區（M1–M5 共用） +pdb/ PDB 快取（網路下載會自動寫入這裡） +examples/ 範例完整 pipeline 輸出 +``` + +**網路下載的 PDB** 會同時存： +- `data/sessions/{id}/pdb/{PDBID}.pdb`（本次 run） +- `data/pdb/{PDBID}.pdb`（快取，下次不用重下） + +Railway：請將此 `data/` 掛載 Volume，勿依賴容器 ephemeral 磁碟。 diff --git a/data/examples/ibuprofen_complete/docking/output.pdbqt b/data/examples/ibuprofen_complete/docking/output.pdbqt new file mode 100644 index 0000000000000000000000000000000000000000..6732a6c74ebe2b6b286e47aef88dec17d908cf9a Binary files /dev/null and b/data/examples/ibuprofen_complete/docking/output.pdbqt differ diff --git a/data/examples/ibuprofen_complete/docking/vina.log b/data/examples/ibuprofen_complete/docking/vina.log new file mode 100644 index 0000000000000000000000000000000000000000..8439b8ee9e5226c6929417cdbb38acc71b57859f --- /dev/null +++ b/data/examples/ibuprofen_complete/docking/vina.log @@ -0,0 +1,49 @@ +AutoDock Vina v1.2.7 +################################################################# +# If you used AutoDock Vina in your work, please cite: # +# # +# J. Eberhardt, D. Santos-Martins, A. F. Tillack, and S. Forli # +# AutoDock Vina 1.2.0: New Docking Methods, Expanded Force # +# Field, and Python Bindings, J. Chem. Inf. Model. (2021) # +# DOI 10.1021/acs.jcim.1c00203 # +# # +# O. Trott, A. J. Olson, # +# AutoDock Vina: improving the speed and accuracy of docking # +# with a new scoring function, efficient optimization and # +# multithreading, J. Comp. Chem. (2010) # +# DOI 10.1002/jcc.21334 # +# # +# Please see https://github.com/ccsb-scripps/AutoDock-Vina for # +# more information. # +################################################################# + +Scoring function : vina +Rigid receptor: C:\Users\User\Downloads\MolGate\molgate_sessions\93e44ebf6158878c\protein\receptor.pdbqt +Ligand: C:\Users\User\Downloads\MolGate\molgate_sessions\93e44ebf6158878c\ligand\ligand.pdbqt +Grid center: X 165.423 Y 185.645 Z 192.592 +Grid size : X 28.5 Y 23.8 Z 25.8 +Grid space : 0.375 +Exhaustiveness: 8 +CPU: 0 +Verbosity: 1 + +Computing Vina grid ... done. +Performing docking (random seed: -1584662658) ... +0% 10 20 30 40 50 60 70 80 90 100% +|----|----|----|----|----|----|----|----|----|----| +*************************************************** + +mode | affinity | dist from best mode + | (kcal/mol) | rmsd l.b.| rmsd u.b. +-----+------------+----------+---------- + 1 -7.57 0 0 + 2 -7.505 1.458 2.602 + 3 -7.039 3.518 6.517 + 4 -6.698 3.21 5.917 + 5 -6.658 1.193 1.945 + 6 -6.395 10.68 12.28 + 7 -6.064 10.98 12.7 + 8 -5.677 11.63 12.89 + 9 -5.545 3.128 5.961 + +WARNING: At low exhaustiveness, it may be impossible to utilize all CPUs. diff --git a/data/examples/ibuprofen_complete/docking_result.json b/data/examples/ibuprofen_complete/docking_result.json new file mode 100644 index 0000000000000000000000000000000000000000..83db482854b9a79dfb318d94adc09a255d2d6187 --- /dev/null +++ b/data/examples/ibuprofen_complete/docking_result.json @@ -0,0 +1,82 @@ +{ + "schema_version": "0.2", + "target": "COX2", + "pdb_id": "5IKT", + "het_id": "TLF", + "chain": "A", + "resseq": 601, + "pocket_rule": "cocrystal_ligand:TLF", + "best_affinity": -7.57, + "best_pose_mode": 1, + "confidence_tier": "C", + "qc_pass": false, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [6, 7, 8]" + ], + "all_poses": [ + { + "mode": 1, + "affinity": -7.57, + "rmsd_lb": 0.0, + "rmsd_ub": 0.0 + }, + { + "mode": 2, + "affinity": -7.505, + "rmsd_lb": 1.458, + "rmsd_ub": 2.602 + }, + { + "mode": 3, + "affinity": -7.039, + "rmsd_lb": 3.518, + "rmsd_ub": 6.517 + }, + { + "mode": 4, + "affinity": -6.698, + "rmsd_lb": 3.21, + "rmsd_ub": 5.917 + }, + { + "mode": 5, + "affinity": -6.658, + "rmsd_lb": 1.193, + "rmsd_ub": 1.945 + }, + { + "mode": 6, + "affinity": -6.395, + "rmsd_lb": 10.68, + "rmsd_ub": 12.28 + }, + { + "mode": 7, + "affinity": -6.064, + "rmsd_lb": 10.98, + "rmsd_ub": 12.7 + }, + { + "mode": 8, + "affinity": -5.677, + "rmsd_lb": 11.63, + "rmsd_ub": 12.89 + }, + { + "mode": 9, + "affinity": -5.545, + "rmsd_lb": 3.128, + "rmsd_ub": 5.961 + } + ], + "output_pdbqt": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/docking/output.pdbqt", + "pocket_center": { + "x": 165.423, + "y": 185.645, + "z": 192.592 + }, + "ready_for_review": true, + "_timestamp": "2026-04-06T19:03:57.977968", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/final_report.json b/data/examples/ibuprofen_complete/final_report.json new file mode 100644 index 0000000000000000000000000000000000000000..433c5d1ac97a08c7fce8277bad7a313335f59132 --- /dev/null +++ b/data/examples/ibuprofen_complete/final_report.json @@ -0,0 +1,84 @@ +{ + "schema_version": "0.2", + "status": "COMPLETE", + "target": "COX2", + "pdb_id": "5IKT", + "het_id": "TLF", + "chain": "A", + "pocket_rule": "cocrystal_ligand:TLF", + "best_affinity": -7.57, + "best_pose_mode": 1, + "confidence_tier": "C", + "qc_pass": false, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [6, 7, 8]" + ], + "all_poses": [ + { + "mode": 1, + "affinity": -7.57, + "rmsd_lb": 0.0, + "rmsd_ub": 0.0 + }, + { + "mode": 2, + "affinity": -7.505, + "rmsd_lb": 1.458, + "rmsd_ub": 2.602 + }, + { + "mode": 3, + "affinity": -7.039, + "rmsd_lb": 3.518, + "rmsd_ub": 6.517 + }, + { + "mode": 4, + "affinity": -6.698, + "rmsd_lb": 3.21, + "rmsd_ub": 5.917 + }, + { + "mode": 5, + "affinity": -6.658, + "rmsd_lb": 1.193, + "rmsd_ub": 1.945 + }, + { + "mode": 6, + "affinity": -6.395, + "rmsd_lb": 10.68, + "rmsd_ub": 12.28 + }, + { + "mode": 7, + "affinity": -6.064, + "rmsd_lb": 10.98, + "rmsd_ub": 12.7 + }, + { + "mode": 8, + "affinity": -5.677, + "rmsd_lb": 11.63, + "rmsd_ub": 12.89 + }, + { + "mode": 9, + "affinity": -5.545, + "rmsd_lb": 3.128, + "rmsd_ub": 5.961 + } + ], + "output_pdbqt": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/docking/output.pdbqt", + "pocket_center": { + "x": 165.423, + "y": 185.645, + "z": 192.592 + }, + "out_of_pocket_rmsd_lb_cutoff": null, + "out_of_pocket_modes": [], + "reviewer_note": "1", + "reviewed_at": "2026-04-06T19:04:17.434919", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/ligand/ligand.pdbqt b/data/examples/ibuprofen_complete/ligand/ligand.pdbqt new file mode 100644 index 0000000000000000000000000000000000000000..1edcf52f90697a3fe34ae2268a04aa49f58f6dba --- /dev/null +++ b/data/examples/ibuprofen_complete/ligand/ligand.pdbqt @@ -0,0 +1,30 @@ +REMARK SMILES CC(C)Cc1ccc(C(C)C(=O)[O-])cc1 +REMARK SMILES IDX 5 1 6 2 7 3 8 4 14 5 15 6 4 7 2 8 1 9 3 10 9 11 10 12 11 13 +REMARK SMILES IDX 12 14 13 15 +REMARK H PARENT +ROOT +ATOM 1 C UNL 1 -0.741 0.702 0.159 1.00 0.00 -0.048 A +ATOM 2 C UNL 1 -0.325 0.295 1.433 1.00 0.00 0.004 A +ATOM 3 C UNL 1 1.022 0.016 1.685 1.00 0.00 0.004 A +ATOM 4 C UNL 1 1.982 0.138 0.672 1.00 0.00 -0.040 A +ATOM 5 C UNL 1 1.562 0.547 -0.600 1.00 0.00 0.004 A +ATOM 6 C UNL 1 0.217 0.827 -0.854 1.00 0.00 0.004 A +ENDROOT +BRANCH 1 7 +ATOM 7 C UNL 1 -2.192 1.007 -0.115 1.00 0.00 0.038 C +BRANCH 7 8 +ATOM 8 C UNL 1 -2.897 -0.050 -0.988 1.00 0.00 -0.013 C +ATOM 9 C UNL 1 -4.285 0.453 -1.392 1.00 0.00 0.008 C +ATOM 10 C UNL 1 -3.025 -1.395 -0.267 1.00 0.00 0.008 C +ENDBRANCH 7 8 +ENDBRANCH 1 7 +BRANCH 4 11 +ATOM 11 C UNL 1 3.438 -0.197 0.957 1.00 0.00 0.062 C +ATOM 12 C UNL 1 3.859 -1.474 0.230 1.00 0.00 0.019 C +BRANCH 11 13 +ATOM 13 C UNL 1 4.371 0.989 0.628 1.00 0.00 0.049 C +ATOM 14 O UNL 1 4.568 1.796 1.585 1.00 0.00 -0.550 OA +ATOM 15 O UNL 1 4.863 1.013 -0.539 1.00 0.00 -0.550 OA +ENDBRANCH 11 13 +ENDBRANCH 4 11 +TORSDOF 4 diff --git a/data/examples/ibuprofen_complete/molgate_run_manifest.json b/data/examples/ibuprofen_complete/molgate_run_manifest.json new file mode 100644 index 0000000000000000000000000000000000000000..205020f073dc19c9fff37ff5a0a522e4dadfa922 --- /dev/null +++ b/data/examples/ibuprofen_complete/molgate_run_manifest.json @@ -0,0 +1,183 @@ +{ + "_schema_version": "1.0", + "run_id": "93e44ebf6158878c", + "drug_id": null, + "drug_label": null, + "target": "COX2", + "pdb_id": "5IKT", + "index_path": "C:\\Users\\User\\Downloads\\MolGate\\master_index.json", + "created_at": "2026-04-06T18:58:19.118550", + "updated_at": "2026-04-06T19:04:17.439885", + "pipeline": { + "module1": { + "status": "complete", + "completed_at": "2026-04-06T18:58:19.422655", + "stages": [ + "01", + "02", + "03" + ] + }, + "module2_engine_b": { + "status": "complete", + "completed_at": "2026-04-06T18:58:20.056879", + "stages": [ + "04", + "05" + ] + }, + "module2_engine_c": { + "status": "complete", + "completed_at": "2026-04-06T18:58:26.859163", + "stages": [ + "09" + ] + }, + "module3_engine_a": { + "status": "complete", + "completed_at": "2026-04-06T18:58:28.040709", + "stages": [ + "10", + "11", + "12", + "13", + "14" + ] + }, + "module3_engine_b": { + "status": "complete", + "completed_at": "2026-04-06T19:00:36.943598", + "stages": [ + "15", + "16", + "17", + "18" + ] + }, + "module3_engine_c": { + "status": "complete", + "completed_at": "2026-04-06T19:01:43.427893", + "stages": [ + "19", + "20" + ] + }, + "module4_engine_c": { + "status": "complete", + "completed_at": "2026-04-06T19:03:53.994578", + "stages": [ + "23" + ] + }, + "module5_engine_a": { + "status": "complete", + "completed_at": "2026-04-06T19:03:57.977968", + "stages": [ + "24", + "25", + "26" + ] + }, + "module5_engine_b": { + "status": "accept", + "completed_at": "2026-04-06T19:04:17.439885", + "stages": [ + "27" + ] + } + }, + "paths": { + "session_dir": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c", + "relative": { + "stage_01_smiles": "stage_01_smiles.json", + "stage_02_pdb": "stage_02_pdb.json", + "stage_03_index": "stage_03_index.json", + "session_meta": "session_meta.json", + "manifest": "molgate_run_manifest.json", + "receptor_pdb": "pdb/5IKT.pdb", + "stage_04_protonation": "stage_04_protonation.json", + "stage_05_tautomer": "stage_05_tautomer.json", + "ligand_pdbqt": "ligand/ligand.pdbqt", + "stage_09_ligand_pdbqt": "stage_09_ligand_pdbqt.json", + "cleaned_pdb": "protein/cleaned.pdb", + "prep_decisions": "prep_decisions.json", + "receptor_pdbqt": "protein/receptor.pdbqt", + "pocket_config": "pocket_config.json", + "docking_result": "docking_result.json", + "docking_output_pdbqt": "docking/output.pdbqt", + "final_report": "final_report.json" + }, + "absolute_pdb_path": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\pdb\\5IKT.pdb", + "next_step": { + "after_module1": { + "module2_engine_b": { + "read_canonical_smiles_from": "stage_01_smiles.json", + "field": "canonical_smiles", + "read_receptor_pdb_from": "stage_02_pdb.json", + "field_pdb_path": "pdb_path" + } + }, + "after_module2_engine_b": { + "ligand_smiles_for_stage09": { + "file": "stage_05_tautomer.json", + "field": "selected_smiles" + } + }, + "after_module2_engine_c": { + "ligand_pdbqt": { + "relative": "ligand/ligand.pdbqt", + "absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\ligand\\ligand.pdbqt" + }, + "stage_record": "stage_09_ligand_pdbqt.json", + "hint": "下一步：受體 PDBQT（Module 3）或 AutoDock Vina --ligand" + }, + "after_module3_engine_a": { + "read_cleaned_pdb_from": "protein/cleaned.pdb", + "hint": "下一步：Engine B（人機決策 15/17 + Flag 16/18 → prep_decisions）" + }, + "after_module3_engine_b": { + "read_prep_decisions_from": "prep_decisions.json", + "hint": "下一步：Engine C（receptor.pdbqt，Stage 19/20）；需 ready_for_engine_e=true" + }, + "after_module3_engine_c": { + "receptor_pdbqt": "protein/receptor.pdbqt", + "hint": "可搭配 Module 2 之 ligand_pdbqt 執行 AutoDock Vina" + }, + "after_module4_engine_c": { + "read_pocket_config_from": "pocket_config.json", + "hint": "Module 5：AutoDock Vina 使用 center / box_size" + }, + "after_module5_engine_a": { + "read_docking_result_from": "docking_result.json", + "hint": "Engine B：審核 docking_result.json" + } + }, + "ligand_pdbqt_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\ligand\\ligand.pdbqt", + "cleaned_pdb_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\protein\\cleaned.pdb", + "prep_decisions_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\prep_decisions.json", + "receptor_pdbqt_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\protein\\receptor.pdbqt", + "pocket_config_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\pocket_config.json", + "docking_result_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\docking_result.json", + "docking_output_pdbqt_absolute": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\docking\\output.pdbqt" + }, + "summary": { + "stage01_status": "WARN", + "recommend_resolve_stereo_before_module2": true, + "stage02_status": "PASS", + "stage03_status": "PASS", + "cocrystal_het": "TLF", + "stage04_status": "AUTO", + "stage05_status": "AUTO", + "final_smiles_post_m2": "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1", + "stage09_status": "PASS", + "stage09_engine": "meeko", + "ligand_pdbqt_relative": "ligand/ligand.pdbqt", + "module3_engine_a_flags": [], + "cleaned_pdb_relative": "protein/cleaned.pdb", + "prep_decisions_relative": "prep_decisions.json", + "ready_for_engine_e": true, + "receptor_pdbqt_relative": "protein/receptor.pdbqt", + "pipeline_complete": true, + "final_report": "final_report.json" + } +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/pdb/5IKT.pdb b/data/examples/ibuprofen_complete/pdb/5IKT.pdb new file mode 100644 index 0000000000000000000000000000000000000000..b69ce5dd06d0f9431298f74af8252097938e507f --- /dev/null +++ b/data/examples/ibuprofen_complete/pdb/5IKT.pdb @@ -0,0 +1,19660 @@ +HEADER OXIDOREDUCTASE 03-MAR-16 5IKT +TITLE THE STRUCTURE OF TOLFENAMIC ACID BOUND TO HUMAN CYCLOOXYGENASE-2 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROSTAGLANDIN G/H SYNTHASE 2; +COMPND 3 CHAIN: A, B; +COMPND 4 SYNONYM: CYCLOOXYGENASE-2,COX-2,PHS II,PROSTAGLANDIN H2 SYNTHASE 2, +COMPND 5 PGHS-2,PROSTAGLANDIN-ENDOPEROXIDE SYNTHASE 2; +COMPND 6 EC: 1.14.99.1; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 GENE: PTGS2, COX2; +SOURCE 6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108 +KEYWDS COX TOLFENAMIC, OXIDOREDUCTASE +EXPDTA X-RAY DIFFRACTION +AUTHOR B.J.ORLANDO,M.G.MALKOWSKI +REVDAT 7 13-NOV-24 5IKT 1 HETSYN +REVDAT 6 29-JUL-20 5IKT 1 COMPND REMARK HETNAM LINK +REVDAT 6 2 1 SITE ATOM +REVDAT 5 25-DEC-19 5IKT 1 REMARK +REVDAT 4 27-SEP-17 5IKT 1 JRNL REMARK +REVDAT 3 27-JUL-16 5IKT 1 JRNL +REVDAT 2 08-JUN-16 5IKT 1 JRNL REMARK +REVDAT 1 25-MAY-16 5IKT 0 +JRNL AUTH B.J.ORLANDO,M.G.MALKOWSKI +JRNL TITL SUBSTRATE-SELECTIVE INHIBITION OF CYCLOOXYGEANSE-2 BY +JRNL TITL 2 FENAMIC ACID DERIVATIVES IS DEPENDENT ON PEROXIDE TONE. +JRNL REF J.BIOL.CHEM. V. 291 15069 2016 +JRNL REFN ESSN 1083-351X +JRNL PMID 27226593 +JRNL DOI 10.1074/JBC.M116.725713 +REMARK 2 +REMARK 2 RESOLUTION. 2.45 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX 1.9_1692 +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : ML +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.45 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.97 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 +REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 +REMARK 3 NUMBER OF REFLECTIONS : 63042 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.182 +REMARK 3 R VALUE (WORKING SET) : 0.180 +REMARK 3 FREE R VALUE : 0.220 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.940 +REMARK 3 FREE R VALUE TEST SET COUNT : 3113 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 29.9747 - 6.8404 0.99 2961 139 0.1618 0.1944 +REMARK 3 2 6.8404 - 5.4400 0.99 2833 164 0.1679 0.1816 +REMARK 3 3 5.4400 - 4.7555 1.00 2839 153 0.1327 0.1479 +REMARK 3 4 4.7555 - 4.3221 1.00 2837 134 0.1352 0.1964 +REMARK 3 5 4.3221 - 4.0131 1.00 2818 146 0.1468 0.1888 +REMARK 3 6 4.0131 - 3.7769 1.00 2794 149 0.1545 0.1693 +REMARK 3 7 3.7769 - 3.5881 1.00 2805 137 0.1635 0.2108 +REMARK 3 8 3.5881 - 3.4321 1.00 2817 141 0.1724 0.2295 +REMARK 3 9 3.4321 - 3.3002 1.00 2789 138 0.1900 0.2278 +REMARK 3 10 3.3002 - 3.1864 1.00 2801 150 0.2087 0.2389 +REMARK 3 11 3.1864 - 3.0869 1.00 2760 164 0.2105 0.2873 +REMARK 3 12 3.0869 - 2.9988 1.00 2765 137 0.2115 0.2731 +REMARK 3 13 2.9988 - 2.9199 1.00 2811 143 0.2082 0.2213 +REMARK 3 14 2.9199 - 2.8487 1.00 2812 126 0.2222 0.2484 +REMARK 3 15 2.8487 - 2.7840 1.00 2767 156 0.2198 0.2883 +REMARK 3 16 2.7840 - 2.7248 1.00 2764 152 0.2269 0.2958 +REMARK 3 17 2.7248 - 2.6703 0.99 2754 150 0.2314 0.2990 +REMARK 3 18 2.6703 - 2.6199 0.99 2749 148 0.2331 0.2641 +REMARK 3 19 2.6199 - 2.5732 0.96 2679 142 0.2463 0.2776 +REMARK 3 20 2.5732 - 2.5296 0.88 2428 127 0.2364 0.3239 +REMARK 3 21 2.5296 - 2.4888 0.81 2239 115 0.2467 0.2923 +REMARK 3 22 2.4888 - 2.4505 0.75 2107 102 0.2402 0.2773 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.270 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.990 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.004 9525 +REMARK 3 ANGLE : 0.828 12953 +REMARK 3 CHIRALITY : 0.031 1361 +REMARK 3 PLANARITY : 0.004 1662 +REMARK 3 DIHEDRAL : 15.415 3487 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 5IKT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-MAR-16. +REMARK 100 THE DEPOSITION ID IS D_1000218983. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 02-AUG-15 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 17-ID +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 6M +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : HKL-2000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 64987 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.450 +REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 +REMARK 200 DATA REDUNDANCY : 4.900 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 19.2000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 63.50 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.37 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 32% PEG 400, 100 MM HEPES, 300MM +REMARK 280 AMMONIUM PHOSPHATE, PH 7, VAPOR DIFFUSION, SITTING DROP, +REMARK 280 TEMPERATURE 293K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -X,Y,-Z +REMARK 290 4555 X,-Y,-Z +REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 +REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 +REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 63.33450 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 74.87950 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 92.86300 +REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 63.33450 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 74.87950 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 92.86300 +REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 63.33450 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 74.87950 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 92.86300 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 63.33450 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 74.87950 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 92.86300 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 11810 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 41840 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -54.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 LYS A 168 CG CD CE NZ +REMARK 470 LYS A 169 CG CD CE NZ +REMARK 470 LYS B 168 CD CE NZ +REMARK 470 LYS B 169 CG CD CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 OE1 GLU B 416 O6 NAG F 1 1.27 +REMARK 500 OG1 THR A 212 O1D COH A 602 1.27 +REMARK 500 OG1 THR B 212 O1D COH B 602 1.28 +REMARK 500 OE1 GLU B 484 H MET B 487 1.59 +REMARK 500 O HOH A 703 O HOH A 866 2.17 +REMARK 500 OE1 GLU B 416 C6 NAG F 1 2.17 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 THR A 129 -86.89 -124.03 +REMARK 500 ARG A 185 -64.70 -98.34 +REMARK 500 ASP A 347 -53.68 -120.75 +REMARK 500 PHE A 371 138.45 -172.15 +REMARK 500 HIS A 398 -130.43 58.82 +REMARK 500 ASN A 439 15.23 -148.56 +REMARK 500 THR B 129 -87.75 -122.61 +REMARK 500 ASP B 158 58.36 -108.35 +REMARK 500 ASP B 347 -52.45 -125.64 +REMARK 500 TRP B 387 54.68 -92.90 +REMARK 500 HIS B 398 -98.86 56.70 +REMARK 500 ASN B 439 20.37 -147.44 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH A 895 DISTANCE = 6.03 ANGSTROMS +REMARK 525 HOH A 896 DISTANCE = 6.11 ANGSTROMS +REMARK 525 HOH A 897 DISTANCE = 6.13 ANGSTROMS +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 COH A 602 CO +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 388 NE2 +REMARK 620 2 COH A 602 NA 96.2 +REMARK 620 3 COH A 602 NB 95.4 88.8 +REMARK 620 4 COH A 602 NC 93.7 170.0 89.9 +REMARK 620 5 COH A 602 ND 92.2 89.0 172.2 90.9 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 COH B 602 CO +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 388 NE2 +REMARK 620 2 COH B 602 NA 98.9 +REMARK 620 3 COH B 602 NB 95.2 85.7 +REMARK 620 4 COH B 602 NC 96.1 164.9 91.7 +REMARK 620 5 COH B 602 ND 95.3 90.9 169.4 89.0 +REMARK 620 N 1 2 3 4 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5IKQ RELATED DB: PDB +REMARK 900 RELATED ID: 5IKR RELATED DB: PDB +REMARK 900 RELATED ID: 5IKV RELATED DB: PDB +DBREF 5IKT A 34 583 UNP P35354 PGH2_HUMAN 19 569 +DBREF 5IKT B 34 583 UNP P35354 PGH2_HUMAN 19 569 +SEQRES 1 A 551 ASN PRO CYS CYS SER HIS PRO CYS GLN ASN ARG GLY VAL +SEQRES 2 A 551 CYS MET SER VAL GLY PHE ASP GLN TYR LYS CYS ASP CYS +SEQRES 3 A 551 THR ARG THR GLY PHE TYR GLY GLU ASN CYS SER THR PRO +SEQRES 4 A 551 GLU PHE LEU THR ARG ILE LYS LEU PHE LEU LYS PRO THR +SEQRES 5 A 551 PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS GLY +SEQRES 6 A 551 PHE TRP ASN VAL VAL ASN ASN ILE PRO PHE LEU ARG ASN +SEQRES 7 A 551 ALA ILE MET SER TYR VAL LEU THR SER ARG SER HIS LEU +SEQRES 8 A 551 ILE ASP SER PRO PRO THR TYR ASN ALA ASP TYR GLY TYR +SEQRES 9 A 551 LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR THR +SEQRES 10 A 551 ARG ALA LEU PRO PRO VAL PRO ASP ASP CYS PRO THR PRO +SEQRES 11 A 551 LEU GLY VAL LYS GLY LYS LYS GLN LEU PRO ASP SER ASN +SEQRES 12 A 551 GLU ILE VAL GLU LYS LEU LEU LEU ARG ARG LYS PHE ILE +SEQRES 13 A 551 PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE PHE +SEQRES 14 A 551 ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP HIS +SEQRES 15 A 551 LYS ARG GLY PRO ALA PHE THR ASN GLY LEU GLY HIS GLY +SEQRES 16 A 551 VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ALA ARG +SEQRES 17 A 551 GLN ARG LYS LEU ARG LEU PHE LYS ASP GLY LYS MET LYS +SEQRES 18 A 551 TYR GLN ILE ILE ASP GLY GLU MET TYR PRO PRO THR VAL +SEQRES 19 A 551 LYS ASP THR GLN ALA GLU MET ILE TYR PRO PRO GLN VAL +SEQRES 20 A 551 PRO GLU HIS LEU ARG PHE ALA VAL GLY GLN GLU VAL PHE +SEQRES 21 A 551 GLY LEU VAL PRO GLY LEU MET MET TYR ALA THR ILE TRP +SEQRES 22 A 551 LEU ARG GLU HIS ASN ARG VAL CYS ASP VAL LEU LYS GLN +SEQRES 23 A 551 GLU HIS PRO GLU TRP GLY ASP GLU GLN LEU PHE GLN THR +SEQRES 24 A 551 SER ARG LEU ILE LEU ILE GLY GLU THR ILE LYS ILE VAL +SEQRES 25 A 551 ILE GLU ASP TYR VAL GLN HIS LEU SER GLY TYR HIS PHE +SEQRES 26 A 551 LYS LEU LYS PHE ASP PRO GLU LEU LEU PHE ASN LYS GLN +SEQRES 27 A 551 PHE GLN TYR GLN ASN ARG ILE ALA ALA GLU PHE ASN THR +SEQRES 28 A 551 LEU TYR HIS TRP HIS PRO LEU LEU PRO ASP THR PHE GLN +SEQRES 29 A 551 ILE HIS ASP GLN LYS TYR ASN TYR GLN GLN PHE ILE TYR +SEQRES 30 A 551 ASN ASN SER ILE LEU LEU GLU HIS GLY ILE THR GLN PHE +SEQRES 31 A 551 VAL GLU SER PHE THR ARG GLN ILE ALA GLY ARG VAL ALA +SEQRES 32 A 551 GLY GLY ARG ASN VAL PRO PRO ALA VAL GLN LYS VAL SER +SEQRES 33 A 551 GLN ALA SER ILE ASP GLN SER ARG GLN MET LYS TYR GLN +SEQRES 34 A 551 SER PHE ASN GLU TYR ARG LYS ARG PHE MET LEU LYS PRO +SEQRES 35 A 551 TYR GLU SER PHE GLU GLU LEU THR GLY GLU LYS GLU MET +SEQRES 36 A 551 SER ALA GLU LEU GLU ALA LEU TYR GLY ASP ILE ASP ALA +SEQRES 37 A 551 VAL GLU LEU TYR PRO ALA LEU LEU VAL GLU LYS PRO ARG +SEQRES 38 A 551 PRO ASP ALA ILE PHE GLY GLU THR MET VAL GLU VAL GLY +SEQRES 39 A 551 ALA PRO PHE SER LEU LYS GLY LEU MET GLY ASN VAL ILE +SEQRES 40 A 551 CYS SER PRO ALA TYR TRP LYS PRO SER THR PHE GLY GLY +SEQRES 41 A 551 GLU VAL GLY PHE GLN ILE ILE ASN THR ALA SER ILE GLN +SEQRES 42 A 551 SER LEU ILE CYS ASN ASN VAL LYS GLY CYS PRO PHE THR +SEQRES 43 A 551 SER PHE SER VAL PRO +SEQRES 1 B 551 ASN PRO CYS CYS SER HIS PRO CYS GLN ASN ARG GLY VAL +SEQRES 2 B 551 CYS MET SER VAL GLY PHE ASP GLN TYR LYS CYS ASP CYS +SEQRES 3 B 551 THR ARG THR GLY PHE TYR GLY GLU ASN CYS SER THR PRO +SEQRES 4 B 551 GLU PHE LEU THR ARG ILE LYS LEU PHE LEU LYS PRO THR +SEQRES 5 B 551 PRO ASN THR VAL HIS TYR ILE LEU THR HIS PHE LYS GLY +SEQRES 6 B 551 PHE TRP ASN VAL VAL ASN ASN ILE PRO PHE LEU ARG ASN +SEQRES 7 B 551 ALA ILE MET SER TYR VAL LEU THR SER ARG SER HIS LEU +SEQRES 8 B 551 ILE ASP SER PRO PRO THR TYR ASN ALA ASP TYR GLY TYR +SEQRES 9 B 551 LYS SER TRP GLU ALA PHE SER ASN LEU SER TYR TYR THR +SEQRES 10 B 551 ARG ALA LEU PRO PRO VAL PRO ASP ASP CYS PRO THR PRO +SEQRES 11 B 551 LEU GLY VAL LYS GLY LYS LYS GLN LEU PRO ASP SER ASN +SEQRES 12 B 551 GLU ILE VAL GLU LYS LEU LEU LEU ARG ARG LYS PHE ILE +SEQRES 13 B 551 PRO ASP PRO GLN GLY SER ASN MET MET PHE ALA PHE PHE +SEQRES 14 B 551 ALA GLN HIS PHE THR HIS GLN PHE PHE LYS THR ASP HIS +SEQRES 15 B 551 LYS ARG GLY PRO ALA PHE THR ASN GLY LEU GLY HIS GLY +SEQRES 16 B 551 VAL ASP LEU ASN HIS ILE TYR GLY GLU THR LEU ALA ARG +SEQRES 17 B 551 GLN ARG LYS LEU ARG LEU PHE LYS ASP GLY LYS MET LYS +SEQRES 18 B 551 TYR GLN ILE ILE ASP GLY GLU MET TYR PRO PRO THR VAL +SEQRES 19 B 551 LYS ASP THR GLN ALA GLU MET ILE TYR PRO PRO GLN VAL +SEQRES 20 B 551 PRO GLU HIS LEU ARG PHE ALA VAL GLY GLN GLU VAL PHE +SEQRES 21 B 551 GLY LEU VAL PRO GLY LEU MET MET TYR ALA THR ILE TRP +SEQRES 22 B 551 LEU ARG GLU HIS ASN ARG VAL CYS ASP VAL LEU LYS GLN +SEQRES 23 B 551 GLU HIS PRO GLU TRP GLY ASP GLU GLN LEU PHE GLN THR +SEQRES 24 B 551 SER ARG LEU ILE LEU ILE GLY GLU THR ILE LYS ILE VAL +SEQRES 25 B 551 ILE GLU ASP TYR VAL GLN HIS LEU SER GLY TYR HIS PHE +SEQRES 26 B 551 LYS LEU LYS PHE ASP PRO GLU LEU LEU PHE ASN LYS GLN +SEQRES 27 B 551 PHE GLN TYR GLN ASN ARG ILE ALA ALA GLU PHE ASN THR +SEQRES 28 B 551 LEU TYR HIS TRP HIS PRO LEU LEU PRO ASP THR PHE GLN +SEQRES 29 B 551 ILE HIS ASP GLN LYS TYR ASN TYR GLN GLN PHE ILE TYR +SEQRES 30 B 551 ASN ASN SER ILE LEU LEU GLU HIS GLY ILE THR GLN PHE +SEQRES 31 B 551 VAL GLU SER PHE THR ARG GLN ILE ALA GLY ARG VAL ALA +SEQRES 32 B 551 GLY GLY ARG ASN VAL PRO PRO ALA VAL GLN LYS VAL SER +SEQRES 33 B 551 GLN ALA SER ILE ASP GLN SER ARG GLN MET LYS TYR GLN +SEQRES 34 B 551 SER PHE ASN GLU TYR ARG LYS ARG PHE MET LEU LYS PRO +SEQRES 35 B 551 TYR GLU SER PHE GLU GLU LEU THR GLY GLU LYS GLU MET +SEQRES 36 B 551 SER ALA GLU LEU GLU ALA LEU TYR GLY ASP ILE ASP ALA +SEQRES 37 B 551 VAL GLU LEU TYR PRO ALA LEU LEU VAL GLU LYS PRO ARG +SEQRES 38 B 551 PRO ASP ALA ILE PHE GLY GLU THR MET VAL GLU VAL GLY +SEQRES 39 B 551 ALA PRO PHE SER LEU LYS GLY LEU MET GLY ASN VAL ILE +SEQRES 40 B 551 CYS SER PRO ALA TYR TRP LYS PRO SER THR PHE GLY GLY +SEQRES 41 B 551 GLU VAL GLY PHE GLN ILE ILE ASN THR ALA SER ILE GLN +SEQRES 42 B 551 SER LEU ILE CYS ASN ASN VAL LYS GLY CYS PRO PHE THR +SEQRES 43 B 551 SER PHE SER VAL PRO +HET NAG C 1 26 +HET NAG C 2 26 +HET MAN C 3 21 +HET NAG D 1 26 +HET NAG D 2 27 +HET NAG E 1 26 +HET NAG E 2 26 +HET MAN E 3 21 +HET NAG F 1 25 +HET NAG F 2 27 +HET TLF A 601 29 +HET COH A 602 73 +HET PO4 A 608 5 +HET PO4 A 609 5 +HET PO4 A 610 5 +HET TLF B 601 29 +HET COH B 602 73 +HET NAG B 603 27 +HET PO4 B 609 5 +HET PO4 B 610 5 +HET PO4 B 611 5 +HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE +HETNAM MAN ALPHA-D-MANNOPYRANOSE +HETNAM TLF 2-[(3-CHLORO-2-METHYLPHENYL)AMINO]BENZOIC ACID +HETNAM COH PROTOPORPHYRIN IX CONTAINING CO +HETNAM PO4 PHOSPHATE ION +HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- +HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- +HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE +HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN TLF TOLFENAMIC ACID +FORMUL 3 NAG 9(C8 H15 N O6) +FORMUL 3 MAN 2(C6 H12 O6) +FORMUL 7 TLF 2(C14 H12 CL N O2) +FORMUL 8 COH 2(C34 H32 CO N4 O4) +FORMUL 9 PO4 6(O4 P 3-) +FORMUL 18 HOH *421(H2 O) +HELIX 1 AA1 ASN A 34 HIS A 39 5 6 +HELIX 2 AA2 GLU A 73 LYS A 83 1 11 +HELIX 3 AA3 THR A 85 THR A 94 1 10 +HELIX 4 AA4 PHE A 96 ASN A 105 1 10 +HELIX 5 AA5 ILE A 105A HIS A 122 1 18 +HELIX 6 AA6 SER A 138 ASN A 144 1 7 +HELIX 7 AA7 ASP A 173 LEU A 182 1 10 +HELIX 8 AA8 ASN A 195 HIS A 207 1 13 +HELIX 9 AA9 LEU A 230 GLY A 235 1 6 +HELIX 10 AB1 THR A 237 ARG A 245 1 9 +HELIX 11 AB2 THR A 265 GLN A 270 1 6 +HELIX 12 AB3 PRO A 280 ARG A 284 5 5 +HELIX 13 AB4 VAL A 295 HIS A 320 1 26 +HELIX 14 AB5 GLY A 324 ASP A 347 1 24 +HELIX 15 AB6 ASP A 347 GLY A 354 1 8 +HELIX 16 AB7 ASP A 362 PHE A 367 5 6 +HELIX 17 AB8 ALA A 378 TYR A 385 1 8 +HELIX 18 AB9 HIS A 386 LEU A 391 5 6 +HELIX 19 AC1 ASN A 403 ILE A 408 1 6 +HELIX 20 AC2 ASN A 411 GLN A 429 1 19 +HELIX 21 AC3 PRO A 441 ALA A 443 5 3 +HELIX 22 AC4 VAL A 444 MET A 458 1 15 +HELIX 23 AC5 SER A 462 PHE A 470 1 9 +HELIX 24 AC6 SER A 477 GLY A 483 1 7 +HELIX 25 AC7 LYS A 485 GLY A 496 1 12 +HELIX 26 AC8 ASP A 497 VAL A 501 5 5 +HELIX 27 AC9 GLU A 502 GLU A 510 1 9 +HELIX 28 AD1 GLY A 519 GLY A 536 1 18 +HELIX 29 AD2 ASN A 537 SER A 541 5 5 +HELIX 30 AD3 LYS A 546 GLY A 551 5 6 +HELIX 31 AD4 GLY A 552 THR A 561 1 10 +HELIX 32 AD5 SER A 563 VAL A 572 1 10 +HELIX 33 AD6 ASN B 34 HIS B 39 5 6 +HELIX 34 AD7 GLU B 73 LYS B 83 1 11 +HELIX 35 AD8 THR B 85 THR B 94 1 10 +HELIX 36 AD9 PHE B 96 ASN B 105 1 10 +HELIX 37 AE1 ILE B 105A HIS B 122 1 18 +HELIX 38 AE2 SER B 138 ASN B 144 1 7 +HELIX 39 AE3 ASP B 173 LEU B 182 1 10 +HELIX 40 AE4 ASN B 195 HIS B 207 1 13 +HELIX 41 AE5 LEU B 230 GLY B 235 1 6 +HELIX 42 AE6 THR B 237 ARG B 245 1 9 +HELIX 43 AE7 THR B 265 GLN B 270 1 6 +HELIX 44 AE8 PRO B 280 ARG B 284 5 5 +HELIX 45 AE9 VAL B 295 HIS B 320 1 26 +HELIX 46 AF1 GLY B 324 ASP B 347 1 24 +HELIX 47 AF2 ASP B 347 GLY B 354 1 8 +HELIX 48 AF3 ASP B 362 PHE B 367 5 6 +HELIX 49 AF4 ALA B 378 TYR B 385 1 8 +HELIX 50 AF5 HIS B 386 LEU B 391 5 6 +HELIX 51 AF6 ASN B 403 ILE B 408 1 6 +HELIX 52 AF7 ASN B 411 GLN B 429 1 19 +HELIX 53 AF8 PRO B 441 ALA B 443 5 3 +HELIX 54 AF9 VAL B 444 MET B 458 1 15 +HELIX 55 AG1 SER B 462 PHE B 470 1 9 +HELIX 56 AG2 SER B 477 GLY B 483 1 7 +HELIX 57 AG3 LYS B 485 GLY B 496 1 12 +HELIX 58 AG4 ASP B 497 VAL B 501 5 5 +HELIX 59 AG5 GLU B 502 GLU B 510 1 9 +HELIX 60 AG6 GLY B 519 GLY B 536 1 18 +HELIX 61 AG7 ASN B 537 SER B 541 5 5 +HELIX 62 AG8 LYS B 546 GLY B 551 5 6 +HELIX 63 AG9 GLY B 552 THR B 561 1 10 +HELIX 64 AH1 SER B 563 VAL B 572 1 10 +SHEET 1 AA1 2 VAL A 46 VAL A 50 0 +SHEET 2 AA1 2 GLN A 54 ASP A 58 -1 O GLN A 54 N VAL A 50 +SHEET 1 AA2 2 PHE A 64 TYR A 65 0 +SHEET 2 AA2 2 THR A 71 PRO A 72 -1 O THR A 71 N TYR A 65 +SHEET 1 AA3 2 TYR A 130 ASN A 131 0 +SHEET 2 AA3 2 THR A 149 ARG A 150 -1 O ARG A 150 N TYR A 130 +SHEET 1 AA4 2 GLN A 255 ILE A 257 0 +SHEET 2 AA4 2 GLU A 260 TYR A 262 -1 O TYR A 262 N GLN A 255 +SHEET 1 AA5 2 PHE A 395 ILE A 397 0 +SHEET 2 AA5 2 GLN A 400 TYR A 402 -1 O TYR A 402 N PHE A 395 +SHEET 1 AA6 2 VAL B 46 VAL B 50 0 +SHEET 2 AA6 2 GLN B 54 ASP B 58 -1 O LYS B 56 N MET B 48 +SHEET 1 AA7 2 PHE B 64 TYR B 65 0 +SHEET 2 AA7 2 THR B 71 PRO B 72 -1 O THR B 71 N TYR B 65 +SHEET 1 AA8 2 TYR B 130 ASN B 131 0 +SHEET 2 AA8 2 THR B 149 ARG B 150 -1 O ARG B 150 N TYR B 130 +SHEET 1 AA9 2 GLN B 255 ILE B 257 0 +SHEET 2 AA9 2 GLU B 260 TYR B 262 -1 O TYR B 262 N GLN B 255 +SHEET 1 AB1 2 PHE B 395 ILE B 397 0 +SHEET 2 AB1 2 GLN B 400 TYR B 402 -1 O GLN B 400 N ILE B 397 +SSBOND 1 CYS A 36 CYS A 47 1555 1555 2.03 +SSBOND 2 CYS A 37 CYS A 159 1555 1555 2.03 +SSBOND 3 CYS A 41 CYS A 57 1555 1555 2.03 +SSBOND 4 CYS A 59 CYS A 69 1555 1555 2.03 +SSBOND 5 CYS A 569 CYS A 575 1555 1555 2.04 +SSBOND 6 CYS B 36 CYS B 47 1555 1555 2.04 +SSBOND 7 CYS B 37 CYS B 159 1555 1555 2.03 +SSBOND 8 CYS B 41 CYS B 57 1555 1555 2.03 +SSBOND 9 CYS B 59 CYS B 69 1555 1555 2.03 +SSBOND 10 CYS B 569 CYS B 575 1555 1555 2.03 +LINK ND2 ASN A 144 C1 NAG C 1 1555 1555 1.44 +LINK ND2 ASN A 410 C1 NAG D 1 1555 1555 1.44 +LINK ND2 ASN B 68 C1 NAG B 603 1555 1555 1.44 +LINK ND2 ASN B 144 C1 NAG E 1 1555 1555 1.44 +LINK ND2 ASN B 410 C1 NAG F 1 1555 1555 1.45 +LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.44 +LINK O4 NAG C 2 C1 MAN C 3 1555 1555 1.44 +LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.44 +LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.43 +LINK O4 NAG E 2 C1 MAN E 3 1555 1555 1.45 +LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.44 +LINK NE2 HIS A 388 CO COH A 602 1555 1555 2.15 +LINK NE2 HIS B 388 CO COH B 602 1555 1555 2.14 +CISPEP 1 SER A 126 PRO A 127 0 2.12 +CISPEP 2 SER B 126 PRO B 127 0 0.53 +CRYST1 126.669 149.759 185.726 90.00 90.00 90.00 I 2 2 2 16 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.007895 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.006677 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.005384 0.00000 +ATOM 1 N ASN A 34 137.227 207.570 183.594 1.00 58.09 N +ATOM 2 CA ASN A 34 138.533 207.856 184.179 1.00 72.91 C +ATOM 3 C ASN A 34 139.630 207.732 183.119 1.00 69.61 C +ATOM 4 O ASN A 34 139.895 206.636 182.629 1.00 66.66 O +ATOM 5 CB ASN A 34 138.811 206.908 185.347 1.00103.15 C +ATOM 6 CG ASN A 34 140.040 207.308 186.155 1.00 86.51 C +ATOM 7 OD1 ASN A 34 140.862 208.111 185.714 1.00 75.02 O +ATOM 8 ND2 ASN A 34 140.169 206.738 187.345 1.00 78.87 N +ATOM 9 HA ASN A 34 138.539 208.765 184.517 1.00 87.49 H +ATOM 10 HB2 ASN A 34 138.046 206.911 185.944 1.00123.78 H +ATOM 11 HB3 ASN A 34 138.958 206.014 185.001 1.00123.78 H +ATOM 12 HD21 ASN A 34 140.845 206.928 187.842 1.00 94.64 H +ATOM 13 HD22 ASN A 34 139.577 206.178 187.620 1.00 94.64 H +ATOM 14 N PRO A 35 140.282 208.853 182.762 1.00 63.75 N +ATOM 15 CA PRO A 35 141.245 208.816 181.653 1.00 66.34 C +ATOM 16 C PRO A 35 142.507 208.008 181.959 1.00 65.54 C +ATOM 17 O PRO A 35 143.212 207.612 181.031 1.00 69.99 O +ATOM 18 CB PRO A 35 141.586 210.294 181.446 1.00 62.88 C +ATOM 19 CG PRO A 35 141.355 210.918 182.770 1.00 65.15 C +ATOM 20 CD PRO A 35 140.194 210.192 183.368 1.00 62.11 C +ATOM 21 HA PRO A 35 140.824 208.468 180.851 1.00 79.61 H +ATOM 22 HB2 PRO A 35 142.515 210.382 181.180 1.00 75.46 H +ATOM 23 HB3 PRO A 35 140.997 210.676 180.777 1.00 75.46 H +ATOM 24 HG2 PRO A 35 142.146 210.810 183.322 1.00 78.18 H +ATOM 25 HG3 PRO A 35 141.146 211.858 182.654 1.00 78.18 H +ATOM 26 HD2 PRO A 35 140.291 210.135 184.332 1.00 74.53 H +ATOM 27 HD3 PRO A 35 139.362 210.623 183.119 1.00 74.53 H +ATOM 28 N CYS A 36 142.781 207.766 183.235 1.00 71.58 N +ATOM 29 CA CYS A 36 143.973 207.022 183.629 1.00 57.43 C +ATOM 30 C CYS A 36 143.807 205.516 183.426 1.00 54.36 C +ATOM 31 O CYS A 36 144.756 204.754 183.608 1.00 54.61 O +ATOM 32 CB CYS A 36 144.318 207.316 185.089 1.00 46.02 C +ATOM 33 SG CYS A 36 144.905 208.999 185.381 1.00 43.61 S +ATOM 34 H CYS A 36 142.293 208.023 183.895 1.00 85.90 H +ATOM 35 HA CYS A 36 144.719 207.315 183.083 1.00 68.91 H +ATOM 36 HB2 CYS A 36 143.525 207.181 185.631 1.00 55.22 H +ATOM 37 HB3 CYS A 36 145.017 206.706 185.373 1.00 55.22 H +ATOM 38 N CYS A 37 142.604 205.092 183.051 1.00 58.33 N +ATOM 39 CA CYS A 37 142.333 203.681 182.788 1.00 57.70 C +ATOM 40 C CYS A 37 143.266 203.108 181.725 1.00 60.10 C +ATOM 41 O CYS A 37 143.586 201.921 181.747 1.00 55.74 O +ATOM 42 CB CYS A 37 140.881 203.488 182.346 1.00 55.56 C +ATOM 43 SG CYS A 37 139.665 203.670 183.660 1.00 54.15 S +ATOM 44 H CYS A 37 141.922 205.605 182.940 1.00 69.99 H +ATOM 45 HA CYS A 37 142.466 203.177 183.606 1.00 69.24 H +ATOM 46 HB2 CYS A 37 140.676 204.146 181.662 1.00 66.68 H +ATOM 47 HB3 CYS A 37 140.786 202.596 181.978 1.00 66.68 H +ATOM 48 N SER A 38 143.697 203.954 180.794 1.00 55.64 N +ATOM 49 CA SER A 38 144.555 203.516 179.700 1.00 54.14 C +ATOM 50 C SER A 38 146.020 203.426 180.124 1.00 51.11 C +ATOM 51 O SER A 38 146.876 203.035 179.329 1.00 47.38 O +ATOM 52 CB SER A 38 144.416 204.462 178.504 1.00 52.90 C +ATOM 53 OG SER A 38 144.772 205.788 178.852 1.00 55.46 O +ATOM 54 H SER A 38 143.504 204.792 180.774 1.00 66.77 H +ATOM 55 HA SER A 38 144.273 202.633 179.415 1.00 64.97 H +ATOM 56 HB2 SER A 38 144.999 204.156 177.792 1.00 63.48 H +ATOM 57 HB3 SER A 38 143.494 204.453 178.203 1.00 63.48 H +ATOM 58 HG SER A 38 144.690 206.292 178.185 1.00 66.55 H +ATOM 59 N HIS A 39 146.296 203.780 181.376 1.00 63.44 N +ATOM 60 CA HIS A 39 147.660 203.800 181.904 1.00 53.75 C +ATOM 61 C HIS A 39 148.596 204.581 180.979 1.00 56.48 C +ATOM 62 O HIS A 39 149.604 204.049 180.513 1.00 47.22 O +ATOM 63 CB HIS A 39 148.176 202.373 182.102 1.00 46.41 C +ATOM 64 CG HIS A 39 147.180 201.454 182.741 1.00 53.76 C +ATOM 65 ND1 HIS A 39 146.724 201.628 184.029 1.00 59.36 N +ATOM 66 CD2 HIS A 39 146.551 200.354 182.265 1.00 47.58 C +ATOM 67 CE1 HIS A 39 145.856 200.675 184.319 1.00 52.93 C +ATOM 68 NE2 HIS A 39 145.734 199.888 183.266 1.00 51.87 N +ATOM 69 H HIS A 39 145.701 204.017 181.950 1.00 76.13 H +ATOM 70 HA HIS A 39 147.658 204.240 182.769 1.00 64.50 H +ATOM 71 HB2 HIS A 39 148.409 202.002 181.237 1.00 55.69 H +ATOM 72 HB3 HIS A 39 148.961 202.401 182.671 1.00 55.69 H +ATOM 73 HD2 HIS A 39 146.653 199.983 181.418 1.00 57.09 H +ATOM 74 HE1 HIS A 39 145.409 200.574 185.128 1.00 63.51 H +ATOM 75 HE2 HIS A 39 145.226 199.196 183.215 1.00 62.24 H +ATOM 76 N PRO A 40 148.262 205.852 180.715 1.00 47.36 N +ATOM 77 CA PRO A 40 148.984 206.672 179.735 1.00 51.68 C +ATOM 78 C PRO A 40 150.408 207.042 180.150 1.00 53.98 C +ATOM 79 O PRO A 40 151.262 207.225 179.285 1.00 54.90 O +ATOM 80 CB PRO A 40 148.113 207.928 179.631 1.00 54.99 C +ATOM 81 CG PRO A 40 147.426 208.018 180.943 1.00 54.53 C +ATOM 82 CD PRO A 40 147.169 206.602 181.359 1.00 52.86 C +ATOM 83 HA PRO A 40 149.006 206.225 178.874 1.00 62.01 H +ATOM 84 HB2 PRO A 40 148.674 208.705 179.481 1.00 65.98 H +ATOM 85 HB3 PRO A 40 147.470 207.823 178.912 1.00 65.98 H +ATOM 86 HG2 PRO A 40 148.004 208.463 181.583 1.00 65.44 H +ATOM 87 HG3 PRO A 40 146.592 208.502 180.841 1.00 65.44 H +ATOM 88 HD2 PRO A 40 147.223 206.518 182.324 1.00 63.43 H +ATOM 89 HD3 PRO A 40 146.309 206.302 181.023 1.00 63.43 H +ATOM 90 N CYS A 41 150.660 207.145 181.450 1.00 52.89 N +ATOM 91 CA CYS A 41 151.951 207.624 181.940 1.00 51.27 C +ATOM 92 C CYS A 41 153.016 206.531 181.930 1.00 44.64 C +ATOM 93 O CYS A 41 152.841 205.474 182.532 1.00 50.59 O +ATOM 94 CB CYS A 41 151.794 208.190 183.350 1.00 44.43 C +ATOM 95 SG CYS A 41 150.551 209.496 183.450 1.00 50.24 S +ATOM 96 H CYS A 41 150.101 206.945 182.071 1.00 63.47 H +ATOM 97 HA CYS A 41 152.257 208.342 181.364 1.00 61.53 H +ATOM 98 HB2 CYS A 41 151.526 207.475 183.948 1.00 53.31 H +ATOM 99 HB3 CYS A 41 152.643 208.562 183.636 1.00 53.31 H +ATOM 100 N GLN A 42 154.123 206.809 181.244 1.00 47.49 N +ATOM 101 CA GLN A 42 155.211 205.848 181.081 1.00 45.79 C +ATOM 102 C GLN A 42 156.344 206.093 182.070 1.00 40.65 C +ATOM 103 O GLN A 42 156.445 207.166 182.662 1.00 40.25 O +ATOM 104 CB GLN A 42 155.770 205.913 179.655 1.00 56.32 C +ATOM 105 CG GLN A 42 154.724 205.801 178.560 1.00 53.80 C +ATOM 106 CD GLN A 42 153.883 204.548 178.682 1.00 62.79 C +ATOM 107 OE1 GLN A 42 154.346 203.443 178.401 1.00 58.94 O +ATOM 108 NE2 GLN A 42 152.637 204.715 179.106 1.00 68.01 N +ATOM 109 H GLN A 42 154.269 207.562 180.856 1.00 56.99 H +ATOM 110 HA GLN A 42 154.869 204.953 181.230 1.00 54.95 H +ATOM 111 HB2 GLN A 42 156.227 206.761 179.540 1.00 67.59 H +ATOM 112 HB3 GLN A 42 156.400 205.185 179.536 1.00 67.59 H +ATOM 113 HG2 GLN A 42 154.131 206.567 178.610 1.00 64.56 H +ATOM 114 HG3 GLN A 42 155.169 205.781 177.698 1.00 64.56 H +ATOM 115 HE21 GLN A 42 152.349 205.503 179.295 1.00 81.62 H +ATOM 116 HE22 GLN A 42 152.118 204.035 179.193 1.00 81.62 H +ATOM 117 N ASN A 43 157.190 205.081 182.242 1.00 43.96 N +ATOM 118 CA ASN A 43 158.433 205.211 182.996 1.00 37.90 C +ATOM 119 C ASN A 43 158.239 205.680 184.436 1.00 44.16 C +ATOM 120 O ASN A 43 158.953 206.566 184.905 1.00 36.11 O +ATOM 121 CB ASN A 43 159.378 206.171 182.270 1.00 40.73 C +ATOM 122 CG ASN A 43 159.671 205.734 180.850 1.00 42.35 C +ATOM 123 OD1 ASN A 43 160.370 204.748 180.624 1.00 39.79 O +ATOM 124 ND2 ASN A 43 159.141 206.470 179.881 1.00 46.12 N +ATOM 125 H ASN A 43 157.063 204.292 181.923 1.00 52.75 H +ATOM 126 HA ASN A 43 158.866 204.343 183.028 1.00 45.48 H +ATOM 127 HB2 ASN A 43 158.970 207.051 182.236 1.00 48.88 H +ATOM 128 HB3 ASN A 43 160.218 206.214 182.752 1.00 48.88 H +ATOM 129 HD21 ASN A 43 159.279 206.262 179.058 1.00 55.35 H +ATOM 130 HD22 ASN A 43 158.659 207.155 180.077 1.00 55.35 H +ATOM 131 N ARG A 44 157.269 205.079 185.122 1.00 46.50 N +ATOM 132 CA ARG A 44 157.003 205.332 186.542 1.00 49.60 C +ATOM 133 C ARG A 44 156.385 206.705 186.805 1.00 55.75 C +ATOM 134 O ARG A 44 156.342 207.155 187.949 1.00 59.39 O +ATOM 135 CB ARG A 44 158.284 205.188 187.376 1.00 48.00 C +ATOM 136 CG ARG A 44 159.000 203.855 187.221 1.00 46.02 C +ATOM 137 CD ARG A 44 158.152 202.684 187.693 1.00 58.59 C +ATOM 138 NE ARG A 44 157.479 202.950 188.962 1.00 74.30 N +ATOM 139 CZ ARG A 44 158.074 202.943 190.150 1.00 67.48 C +ATOM 140 NH1 ARG A 44 159.373 202.692 190.251 1.00 52.23 N +ATOM 141 NH2 ARG A 44 157.368 203.196 191.242 1.00 74.14 N +ATOM 142 H ARG A 44 156.734 204.502 184.776 1.00 55.80 H +ATOM 143 HA ARG A 44 156.374 204.665 186.858 1.00 59.52 H +ATOM 144 HB2 ARG A 44 158.904 205.886 187.114 1.00 57.60 H +ATOM 145 HB3 ARG A 44 158.055 205.291 188.313 1.00 57.60 H +ATOM 146 HG2 ARG A 44 159.212 203.716 186.285 1.00 55.22 H +ATOM 147 HG3 ARG A 44 159.814 203.869 187.748 1.00 55.22 H +ATOM 148 HD2 ARG A 44 157.472 202.497 187.026 1.00 70.30 H +ATOM 149 HD3 ARG A 44 158.722 201.908 187.812 1.00 70.30 H +ATOM 150 HE ARG A 44 156.637 203.124 188.938 1.00 89.16 H +ATOM 151 HH11 ARG A 44 159.836 202.527 189.545 1.00 62.67 H +ATOM 152 HH12 ARG A 44 159.752 202.690 191.024 1.00 62.67 H +ATOM 153 HH21 ARG A 44 156.526 203.361 191.181 1.00 88.97 H +ATOM 154 HH22 ARG A 44 157.751 203.195 192.012 1.00 88.97 H +ATOM 155 N GLY A 45 155.901 207.366 185.759 1.00 50.39 N +ATOM 156 CA GLY A 45 155.173 208.611 185.935 1.00 48.49 C +ATOM 157 C GLY A 45 153.831 208.344 186.592 1.00 44.37 C +ATOM 158 O GLY A 45 153.230 207.291 186.379 1.00 45.68 O +ATOM 159 H GLY A 45 155.981 207.114 184.940 1.00 60.47 H +ATOM 160 HA2 GLY A 45 155.683 209.216 186.496 1.00 58.19 H +ATOM 161 HA3 GLY A 45 155.023 209.031 185.073 1.00 58.19 H +ATOM 162 N VAL A 46 153.356 209.293 187.392 1.00 42.85 N +ATOM 163 CA VAL A 46 152.122 209.108 188.150 1.00 56.34 C +ATOM 164 C VAL A 46 150.941 209.764 187.442 1.00 53.61 C +ATOM 165 O VAL A 46 150.914 210.980 187.257 1.00 45.73 O +ATOM 166 CB VAL A 46 152.242 209.683 189.577 1.00 45.66 C +ATOM 167 CG1 VAL A 46 150.994 209.363 190.390 1.00 39.99 C +ATOM 168 CG2 VAL A 46 153.476 209.128 190.267 1.00 45.23 C +ATOM 169 H VAL A 46 153.731 210.057 187.514 1.00 51.42 H +ATOM 170 HA VAL A 46 151.937 208.159 188.224 1.00 67.61 H +ATOM 171 HB VAL A 46 152.332 210.647 189.525 1.00 54.79 H +ATOM 172 HG11 VAL A 46 151.095 209.734 191.281 1.00 47.99 H +ATOM 173 HG12 VAL A 46 150.223 209.756 189.953 1.00 47.99 H +ATOM 174 HG13 VAL A 46 150.890 208.400 190.443 1.00 47.99 H +ATOM 175 HG21 VAL A 46 153.532 209.501 191.160 1.00 54.27 H +ATOM 176 HG22 VAL A 46 153.402 208.162 190.316 1.00 54.27 H +ATOM 177 HG23 VAL A 46 154.262 209.375 189.755 1.00 54.27 H +ATOM 178 N CYS A 47 149.966 208.948 187.049 1.00 48.16 N +ATOM 179 CA CYS A 47 148.768 209.450 186.386 1.00 41.49 C +ATOM 180 C CYS A 47 147.781 209.993 187.410 1.00 42.51 C +ATOM 181 O CYS A 47 147.547 209.379 188.448 1.00 52.14 O +ATOM 182 CB CYS A 47 148.101 208.356 185.552 1.00 47.27 C +ATOM 183 SG CYS A 47 146.743 208.958 184.514 1.00 54.45 S +ATOM 184 H CYS A 47 149.975 208.094 187.156 1.00 57.79 H +ATOM 185 HA CYS A 47 149.015 210.176 185.791 1.00 49.79 H +ATOM 186 HB2 CYS A 47 148.767 207.958 184.969 1.00 56.72 H +ATOM 187 HB3 CYS A 47 147.742 207.682 186.150 1.00 56.72 H +ATOM 188 N MET A 48 147.206 211.148 187.100 1.00 49.66 N +ATOM 189 CA MET A 48 146.273 211.820 187.988 1.00 52.32 C +ATOM 190 C MET A 48 145.186 212.488 187.161 1.00 49.23 C +ATOM 191 O MET A 48 145.477 213.175 186.184 1.00 57.99 O +ATOM 192 CB MET A 48 147.015 212.847 188.847 1.00 45.94 C +ATOM 193 CG MET A 48 146.134 213.896 189.520 1.00 51.51 C +ATOM 194 SD MET A 48 147.058 215.058 190.552 1.00 56.57 S +ATOM 195 CE MET A 48 148.603 215.228 189.658 1.00 52.17 C +ATOM 196 H MET A 48 147.346 211.571 186.364 1.00 59.59 H +ATOM 197 HA MET A 48 145.867 211.167 188.579 1.00 62.79 H +ATOM 198 HB2 MET A 48 147.491 212.374 189.547 1.00 55.13 H +ATOM 199 HB3 MET A 48 147.649 213.317 188.284 1.00 55.13 H +ATOM 200 HG2 MET A 48 145.676 214.407 188.834 1.00 61.81 H +ATOM 201 HG3 MET A 48 145.487 213.447 190.085 1.00 61.81 H +ATOM 202 HE1 MET A 48 149.180 215.842 190.138 1.00 62.60 H +ATOM 203 HE2 MET A 48 149.027 214.358 189.593 1.00 62.60 H +ATOM 204 HE3 MET A 48 148.418 215.573 188.770 1.00 62.60 H +ATOM 205 N SER A 49 143.933 212.283 187.550 1.00 51.16 N +ATOM 206 CA SER A 49 142.817 212.868 186.826 1.00 51.07 C +ATOM 207 C SER A 49 142.697 214.354 187.141 1.00 53.03 C +ATOM 208 O SER A 49 142.834 214.765 188.292 1.00 50.27 O +ATOM 209 CB SER A 49 141.511 212.148 187.169 1.00 50.80 C +ATOM 210 OG SER A 49 141.102 212.428 188.497 1.00 49.67 O +ATOM 211 H SER A 49 143.705 211.809 188.230 1.00 61.39 H +ATOM 212 HA SER A 49 142.973 212.774 185.873 1.00 61.29 H +ATOM 213 HB2 SER A 49 140.819 212.445 186.558 1.00 60.96 H +ATOM 214 HB3 SER A 49 141.646 211.192 187.076 1.00 60.96 H +ATOM 215 HG SER A 49 140.980 213.253 188.592 1.00 59.60 H +ATOM 216 N VAL A 50 142.462 215.151 186.103 1.00 54.86 N +ATOM 217 CA VAL A 50 142.183 216.574 186.254 1.00 52.68 C +ATOM 218 C VAL A 50 140.858 216.872 185.570 1.00 52.64 C +ATOM 219 O VAL A 50 140.778 216.902 184.344 1.00 57.98 O +ATOM 220 CB VAL A 50 143.290 217.451 185.646 1.00 50.67 C +ATOM 221 CG1 VAL A 50 143.024 218.921 185.943 1.00 52.71 C +ATOM 222 CG2 VAL A 50 144.652 217.036 186.182 1.00 50.47 C +ATOM 223 H VAL A 50 142.458 214.885 185.285 1.00 65.83 H +ATOM 224 HA VAL A 50 142.100 216.791 187.196 1.00 63.22 H +ATOM 225 HB VAL A 50 143.297 217.334 184.683 1.00 60.80 H +ATOM 226 HG11 VAL A 50 143.733 219.455 185.552 1.00 63.25 H +ATOM 227 HG12 VAL A 50 142.170 219.171 185.558 1.00 63.25 H +ATOM 228 HG13 VAL A 50 143.004 219.050 186.905 1.00 63.25 H +ATOM 229 HG21 VAL A 50 145.333 217.602 185.786 1.00 60.56 H +ATOM 230 HG22 VAL A 50 144.656 217.139 187.147 1.00 60.56 H +ATOM 231 HG23 VAL A 50 144.814 216.109 185.948 1.00 60.56 H +ATOM 232 N GLY A 51 139.818 217.085 186.364 1.00 52.92 N +ATOM 233 CA GLY A 51 138.479 217.195 185.823 1.00 54.89 C +ATOM 234 C GLY A 51 138.001 215.827 185.379 1.00 59.87 C +ATOM 235 O GLY A 51 138.595 214.810 185.736 1.00 60.90 O +ATOM 236 H GLY A 51 139.863 217.170 187.218 1.00 63.50 H +ATOM 237 HA2 GLY A 51 137.874 217.538 186.499 1.00 65.87 H +ATOM 238 HA3 GLY A 51 138.476 217.795 185.061 1.00 65.87 H +ATOM 239 N PHE A 52 136.939 215.796 184.583 1.00 62.20 N +ATOM 240 CA PHE A 52 136.309 214.535 184.206 1.00 60.35 C +ATOM 241 C PHE A 52 136.879 213.925 182.926 1.00 62.54 C +ATOM 242 O PHE A 52 136.674 212.741 182.662 1.00 71.24 O +ATOM 243 CB PHE A 52 134.804 214.739 184.037 1.00 61.48 C +ATOM 244 CG PHE A 52 134.102 215.142 185.300 1.00 59.27 C +ATOM 245 CD1 PHE A 52 133.665 214.185 186.200 1.00 60.33 C +ATOM 246 CD2 PHE A 52 133.874 216.476 185.586 1.00 61.09 C +ATOM 247 CE1 PHE A 52 133.017 214.553 187.361 1.00 60.07 C +ATOM 248 CE2 PHE A 52 133.226 216.848 186.746 1.00 59.29 C +ATOM 249 CZ PHE A 52 132.798 215.886 187.634 1.00 58.51 C +ATOM 250 H PHE A 52 136.562 216.492 184.248 1.00 74.64 H +ATOM 251 HA PHE A 52 136.442 213.895 184.922 1.00 72.42 H +ATOM 252 HB2 PHE A 52 134.655 215.436 183.379 1.00 73.78 H +ATOM 253 HB3 PHE A 52 134.409 213.908 183.730 1.00 73.78 H +ATOM 254 HD1 PHE A 52 133.811 213.285 186.020 1.00 72.40 H +ATOM 255 HD2 PHE A 52 134.161 217.130 184.990 1.00 73.30 H +ATOM 256 HE1 PHE A 52 132.729 213.902 187.959 1.00 72.08 H +ATOM 257 HE2 PHE A 52 133.079 217.748 186.929 1.00 71.15 H +ATOM 258 HZ PHE A 52 132.361 216.136 188.416 1.00 70.21 H +ATOM 259 N ASP A 53 137.599 214.722 182.142 1.00 75.47 N +ATOM 260 CA ASP A 53 138.007 214.305 180.799 1.00 84.57 C +ATOM 261 C ASP A 53 139.492 214.506 180.497 1.00 84.74 C +ATOM 262 O ASP A 53 139.914 214.352 179.351 1.00 79.98 O +ATOM 263 CB ASP A 53 137.178 215.063 179.759 1.00 72.35 C +ATOM 264 CG ASP A 53 137.348 216.566 179.865 1.00 85.98 C +ATOM 265 OD1 ASP A 53 137.844 217.037 180.911 1.00 95.80 O +ATOM 266 OD2 ASP A 53 136.983 217.278 178.906 1.00101.40 O +ATOM 267 H ASP A 53 137.866 215.509 182.362 1.00 90.57 H +ATOM 268 HA ASP A 53 137.813 213.360 180.697 1.00101.48 H +ATOM 269 HB2 ASP A 53 137.458 214.791 178.871 1.00 86.82 H +ATOM 270 HB3 ASP A 53 136.240 214.857 179.891 1.00 86.82 H +ATOM 271 N GLN A 54 140.282 214.845 181.510 1.00 72.72 N +ATOM 272 CA GLN A 54 141.711 215.066 181.309 1.00 77.10 C +ATOM 273 C GLN A 54 142.559 214.400 182.385 1.00 68.64 C +ATOM 274 O GLN A 54 142.101 214.171 183.506 1.00 56.75 O +ATOM 275 CB GLN A 54 142.020 216.563 181.264 1.00 65.03 C +ATOM 276 CG GLN A 54 141.444 217.273 180.051 1.00 71.97 C +ATOM 277 CD GLN A 54 142.227 218.517 179.680 1.00 77.10 C +ATOM 278 OE1 GLN A 54 141.674 219.613 179.605 1.00 82.31 O +ATOM 279 NE2 GLN A 54 143.522 218.348 179.436 1.00 91.65 N +ATOM 280 H GLN A 54 140.018 214.953 182.322 1.00 87.27 H +ATOM 281 HA GLN A 54 141.967 214.685 180.454 1.00 92.51 H +ATOM 282 HB2 GLN A 54 141.651 216.982 182.056 1.00 78.03 H +ATOM 283 HB3 GLN A 54 142.983 216.683 181.247 1.00 78.03 H +ATOM 284 HG2 GLN A 54 141.462 216.669 179.292 1.00 86.37 H +ATOM 285 HG3 GLN A 54 140.531 217.539 180.243 1.00 86.37 H +ATOM 286 HE21 GLN A 54 143.872 217.565 179.493 1.00109.98 H +ATOM 287 HE22 GLN A 54 144.010 219.023 179.222 1.00109.98 H +ATOM 288 N TYR A 55 143.798 214.087 182.021 1.00 57.39 N +ATOM 289 CA TYR A 55 144.751 213.491 182.944 1.00 50.87 C +ATOM 290 C TYR A 55 146.052 214.275 182.944 1.00 53.00 C +ATOM 291 O TYR A 55 146.293 215.103 182.067 1.00 56.54 O +ATOM 292 CB TYR A 55 145.018 212.027 182.583 1.00 47.51 C +ATOM 293 CG TYR A 55 145.814 211.823 181.312 1.00 57.29 C +ATOM 294 CD1 TYR A 55 147.200 211.744 181.342 1.00 50.51 C +ATOM 295 CD2 TYR A 55 145.178 211.693 180.084 1.00 52.13 C +ATOM 296 CE1 TYR A 55 147.930 211.551 180.186 1.00 52.04 C +ATOM 297 CE2 TYR A 55 145.901 211.499 178.924 1.00 53.11 C +ATOM 298 CZ TYR A 55 147.275 211.429 178.980 1.00 58.70 C +ATOM 299 OH TYR A 55 147.996 211.237 177.827 1.00 51.54 O +ATOM 300 H TYR A 55 144.114 214.213 181.231 1.00 68.87 H +ATOM 301 HA TYR A 55 144.383 213.517 183.841 1.00 61.05 H +ATOM 302 HB2 TYR A 55 145.513 211.614 183.309 1.00 57.01 H +ATOM 303 HB3 TYR A 55 144.167 211.575 182.472 1.00 57.01 H +ATOM 304 HD1 TYR A 55 147.645 211.826 182.155 1.00 60.61 H +ATOM 305 HD2 TYR A 55 144.251 211.740 180.042 1.00 62.56 H +ATOM 306 HE1 TYR A 55 148.858 211.503 180.221 1.00 62.45 H +ATOM 307 HE2 TYR A 55 145.462 211.417 178.108 1.00 63.73 H +ATOM 308 HH TYR A 55 148.817 211.214 178.002 1.00 61.85 H +ATOM 309 N LYS A 56 146.879 214.008 183.946 1.00 67.04 N +ATOM 310 CA LYS A 56 148.167 214.663 184.098 1.00 65.39 C +ATOM 311 C LYS A 56 149.197 213.612 184.473 1.00 50.71 C +ATOM 312 O LYS A 56 148.882 212.669 185.194 1.00 63.19 O +ATOM 313 CB LYS A 56 148.097 215.756 185.167 1.00 60.41 C +ATOM 314 CG LYS A 56 148.647 217.104 184.732 1.00 66.16 C +ATOM 315 CD LYS A 56 150.152 217.069 184.541 1.00 71.41 C +ATOM 316 CE LYS A 56 150.682 218.429 184.120 1.00 79.69 C +ATOM 317 NZ LYS A 56 152.167 218.457 184.049 1.00 82.88 N +ATOM 318 H LYS A 56 146.710 213.436 184.566 1.00 80.45 H +ATOM 319 HA LYS A 56 148.428 215.068 183.256 1.00 78.47 H +ATOM 320 HB2 LYS A 56 147.169 215.884 185.418 1.00 72.49 H +ATOM 321 HB3 LYS A 56 148.607 215.466 185.939 1.00 72.49 H +ATOM 322 HG2 LYS A 56 148.240 217.356 183.888 1.00 79.40 H +ATOM 323 HG3 LYS A 56 148.444 217.765 185.412 1.00 79.40 H +ATOM 324 HD2 LYS A 56 150.577 216.821 185.377 1.00 85.69 H +ATOM 325 HD3 LYS A 56 150.373 216.427 183.847 1.00 85.69 H +ATOM 326 HE2 LYS A 56 150.334 218.647 183.241 1.00 95.63 H +ATOM 327 HE3 LYS A 56 150.398 219.094 184.766 1.00 95.63 H +ATOM 328 HZ1 LYS A 56 152.444 219.265 183.801 1.00 99.45 H +ATOM 329 HZ2 LYS A 56 152.513 218.265 184.847 1.00 99.45 H +ATOM 330 HZ3 LYS A 56 152.455 217.857 183.457 1.00 99.45 H +ATOM 331 N CYS A 57 150.417 213.764 183.971 1.00 53.57 N +ATOM 332 CA CYS A 57 151.506 212.856 184.309 1.00 51.26 C +ATOM 333 C CYS A 57 152.586 213.577 185.099 1.00 47.73 C +ATOM 334 O CYS A 57 153.145 214.573 184.644 1.00 44.02 O +ATOM 335 CB CYS A 57 152.106 212.237 183.048 1.00 48.83 C +ATOM 336 SG CYS A 57 151.009 211.057 182.233 1.00 52.05 S +ATOM 337 H CYS A 57 150.642 214.391 183.427 1.00 64.28 H +ATOM 338 HA CYS A 57 151.159 212.138 184.861 1.00 61.52 H +ATOM 339 HB2 CYS A 57 152.304 212.945 182.415 1.00 58.59 H +ATOM 340 HB3 CYS A 57 152.922 211.769 183.285 1.00 58.59 H +ATOM 341 N ASP A 58 152.859 213.066 186.294 1.00 51.05 N +ATOM 342 CA ASP A 58 153.920 213.592 187.140 1.00 48.91 C +ATOM 343 C ASP A 58 155.228 212.885 186.801 1.00 49.74 C +ATOM 344 O ASP A 58 155.409 211.712 187.126 1.00 49.42 O +ATOM 345 CB ASP A 58 153.566 213.403 188.613 1.00 44.56 C +ATOM 346 CG ASP A 58 154.517 214.127 189.540 1.00 42.79 C +ATOM 347 OD1 ASP A 58 155.528 214.679 189.059 1.00 45.60 O +ATOM 348 OD2 ASP A 58 154.252 214.139 190.758 1.00 41.33 O +ATOM 349 H ASP A 58 152.436 212.404 186.641 1.00 61.25 H +ATOM 350 HA ASP A 58 154.030 214.540 186.969 1.00 58.69 H +ATOM 351 HB2 ASP A 58 152.673 213.748 188.771 1.00 53.47 H +ATOM 352 HB3 ASP A 58 153.600 212.458 188.828 1.00 53.47 H +ATOM 353 N CYS A 59 156.130 213.607 186.145 1.00 51.72 N +ATOM 354 CA CYS A 59 157.356 213.023 185.611 1.00 54.08 C +ATOM 355 C CYS A 59 158.543 213.174 186.560 1.00 43.57 C +ATOM 356 O CYS A 59 159.679 212.893 186.186 1.00 39.75 O +ATOM 357 CB CYS A 59 157.693 213.666 184.263 1.00 59.08 C +ATOM 358 SG CYS A 59 156.506 213.308 182.949 1.00 49.82 S +ATOM 359 H CYS A 59 156.054 214.451 185.994 1.00 62.06 H +ATOM 360 HA CYS A 59 157.213 212.075 185.462 1.00 64.90 H +ATOM 361 HB2 CYS A 59 157.725 214.629 184.378 1.00 70.89 H +ATOM 362 HB3 CYS A 59 158.561 213.343 183.973 1.00 70.89 H +ATOM 363 N THR A 60 158.268 213.610 187.785 1.00 37.91 N +ATOM 364 CA THR A 60 159.309 213.891 188.770 1.00 36.11 C +ATOM 365 C THR A 60 160.290 212.733 188.959 1.00 40.17 C +ATOM 366 O THR A 60 159.901 211.622 189.316 1.00 42.19 O +ATOM 367 CB THR A 60 158.681 214.240 190.134 1.00 42.84 C +ATOM 368 OG1 THR A 60 157.851 215.399 189.990 1.00 37.94 O +ATOM 369 CG2 THR A 60 159.755 214.521 191.183 1.00 36.58 C +ATOM 370 H THR A 60 157.471 213.754 188.075 1.00 45.49 H +ATOM 371 HA THR A 60 159.817 214.662 188.473 1.00 43.33 H +ATOM 372 HB THR A 60 158.142 213.494 190.440 1.00 51.41 H +ATOM 373 HG1 THR A 60 157.240 215.247 189.434 1.00 45.53 H +ATOM 374 HG21 THR A 60 159.340 214.738 192.032 1.00 43.89 H +ATOM 375 HG22 THR A 60 160.318 213.740 191.298 1.00 43.89 H +ATOM 376 HG23 THR A 60 160.306 215.268 190.901 1.00 43.89 H +ATOM 377 N ARG A 61 161.565 213.017 188.706 1.00 41.69 N +ATOM 378 CA ARG A 61 162.664 212.076 188.924 1.00 38.86 C +ATOM 379 C ARG A 61 162.499 210.751 188.172 1.00 33.56 C +ATOM 380 O ARG A 61 163.055 209.731 188.573 1.00 42.76 O +ATOM 381 CB ARG A 61 162.828 211.807 190.423 1.00 34.10 C +ATOM 382 CG ARG A 61 163.348 213.004 191.197 1.00 39.16 C +ATOM 383 CD ARG A 61 163.608 212.666 192.654 1.00 41.55 C +ATOM 384 NE ARG A 61 162.371 212.434 193.392 1.00 40.00 N +ATOM 385 CZ ARG A 61 161.588 213.398 193.863 1.00 41.41 C +ATOM 386 NH1 ARG A 61 161.902 214.673 193.670 1.00 40.23 N +ATOM 387 NH2 ARG A 61 160.482 213.090 194.523 1.00 41.59 N +ATOM 388 H ARG A 61 161.828 213.776 188.397 1.00 50.03 H +ATOM 389 HA ARG A 61 163.485 212.486 188.611 1.00 46.63 H +ATOM 390 HB2 ARG A 61 161.965 211.564 190.794 1.00 40.93 H +ATOM 391 HB3 ARG A 61 163.456 211.078 190.544 1.00 40.93 H +ATOM 392 HG2 ARG A 61 164.182 213.302 190.801 1.00 46.99 H +ATOM 393 HG3 ARG A 61 162.689 213.715 191.164 1.00 46.99 H +ATOM 394 HD2 ARG A 61 164.145 211.860 192.703 1.00 49.86 H +ATOM 395 HD3 ARG A 61 164.076 213.405 193.073 1.00 49.86 H +ATOM 396 HE ARG A 61 162.134 211.619 193.532 1.00 48.00 H +ATOM 397 HH11 ARG A 61 162.618 214.879 193.241 1.00 48.28 H +ATOM 398 HH12 ARG A 61 161.390 215.293 193.975 1.00 48.28 H +ATOM 399 HH21 ARG A 61 160.273 212.265 194.650 1.00 49.90 H +ATOM 400 HH22 ARG A 61 159.974 213.714 194.826 1.00 49.90 H +ATOM 401 N THR A 62 161.757 210.776 187.071 1.00 36.24 N +ATOM 402 CA THR A 62 161.575 209.584 186.248 1.00 35.83 C +ATOM 403 C THR A 62 162.693 209.435 185.221 1.00 36.91 C +ATOM 404 O THR A 62 162.958 208.335 184.739 1.00 36.90 O +ATOM 405 CB THR A 62 160.232 209.610 185.499 1.00 43.75 C +ATOM 406 OG1 THR A 62 160.160 210.780 184.674 1.00 40.10 O +ATOM 407 CG2 THR A 62 159.071 209.604 186.483 1.00 53.46 C +ATOM 408 H THR A 62 161.346 211.472 186.778 1.00 43.49 H +ATOM 409 HA THR A 62 161.586 208.801 186.819 1.00 42.99 H +ATOM 410 HB THR A 62 160.162 208.820 184.941 1.00 52.51 H +ATOM 411 HG1 THR A 62 160.224 211.470 185.148 1.00 48.12 H +ATOM 412 HG21 THR A 62 158.229 209.621 186.001 1.00 64.16 H +ATOM 413 HG22 THR A 62 159.105 208.805 187.031 1.00 64.16 H +ATOM 414 HG23 THR A 62 159.120 210.383 187.058 1.00 64.16 H +ATOM 415 N GLY A 63 163.347 210.546 184.895 1.00 41.63 N +ATOM 416 CA GLY A 63 164.361 210.567 183.858 1.00 49.89 C +ATOM 417 C GLY A 63 163.766 210.931 182.510 1.00 48.06 C +ATOM 418 O GLY A 63 164.478 211.016 181.510 1.00 48.26 O +ATOM 419 H GLY A 63 163.215 211.310 185.267 1.00 49.95 H +ATOM 420 HA2 GLY A 63 165.044 211.218 184.082 1.00 59.86 H +ATOM 421 HA3 GLY A 63 164.776 209.693 183.788 1.00 59.86 H +ATOM 422 N PHE A 64 162.454 211.142 182.489 1.00 44.18 N +ATOM 423 CA PHE A 64 161.735 211.484 181.268 1.00 42.65 C +ATOM 424 C PHE A 64 160.872 212.718 181.501 1.00 53.83 C +ATOM 425 O PHE A 64 160.620 213.103 182.642 1.00 40.33 O +ATOM 426 CB PHE A 64 160.858 210.317 180.806 1.00 41.31 C +ATOM 427 CG PHE A 64 161.618 209.047 180.541 1.00 46.60 C +ATOM 428 CD1 PHE A 64 162.154 208.312 181.584 1.00 45.36 C +ATOM 429 CD2 PHE A 64 161.777 208.577 179.248 1.00 48.55 C +ATOM 430 CE1 PHE A 64 162.847 207.146 181.342 1.00 48.86 C +ATOM 431 CE2 PHE A 64 162.468 207.408 179.002 1.00 47.04 C +ATOM 432 CZ PHE A 64 163.002 206.692 180.050 1.00 47.95 C +ATOM 433 H PHE A 64 161.949 211.092 183.183 1.00 53.02 H +ATOM 434 HA PHE A 64 162.372 211.685 180.565 1.00 51.18 H +ATOM 435 HB2 PHE A 64 160.200 210.130 181.494 1.00 49.57 H +ATOM 436 HB3 PHE A 64 160.410 210.570 179.984 1.00 49.57 H +ATOM 437 HD1 PHE A 64 162.054 208.614 182.458 1.00 54.43 H +ATOM 438 HD2 PHE A 64 161.419 209.058 178.537 1.00 58.26 H +ATOM 439 HE1 PHE A 64 163.206 206.663 182.051 1.00 58.63 H +ATOM 440 HE2 PHE A 64 162.573 207.104 178.129 1.00 56.45 H +ATOM 441 HZ PHE A 64 163.468 205.904 179.885 1.00 57.55 H +ATOM 442 N TYR A 65 160.434 213.335 180.409 1.00 55.66 N +ATOM 443 CA TYR A 65 159.490 214.442 180.462 1.00 51.01 C +ATOM 444 C TYR A 65 158.520 214.317 179.294 1.00 54.08 C +ATOM 445 O TYR A 65 158.617 213.382 178.503 1.00 51.46 O +ATOM 446 CB TYR A 65 160.216 215.787 180.422 1.00 52.64 C +ATOM 447 CG TYR A 65 161.055 215.993 179.185 1.00 61.69 C +ATOM 448 CD1 TYR A 65 162.388 215.609 179.156 1.00 69.85 C +ATOM 449 CD2 TYR A 65 160.515 216.573 178.045 1.00 87.00 C +ATOM 450 CE1 TYR A 65 163.161 215.796 178.026 1.00 79.99 C +ATOM 451 CE2 TYR A 65 161.281 216.764 176.909 1.00 81.35 C +ATOM 452 CZ TYR A 65 162.603 216.374 176.905 1.00 84.04 C +ATOM 453 OH TYR A 65 163.369 216.562 175.777 1.00 71.21 O +ATOM 454 H TYR A 65 160.675 213.125 179.610 1.00 66.80 H +ATOM 455 HA TYR A 65 158.983 214.392 181.288 1.00 61.21 H +ATOM 456 HB2 TYR A 65 159.557 216.499 180.455 1.00 63.17 H +ATOM 457 HB3 TYR A 65 160.803 215.848 181.192 1.00 63.17 H +ATOM 458 HD1 TYR A 65 162.767 215.219 179.911 1.00 83.82 H +ATOM 459 HD2 TYR A 65 159.623 216.837 178.045 1.00104.40 H +ATOM 460 HE1 TYR A 65 164.053 215.533 178.021 1.00 95.99 H +ATOM 461 HE2 TYR A 65 160.906 217.153 176.153 1.00 97.62 H +ATOM 462 HH TYR A 65 162.908 216.921 175.174 1.00 85.45 H +ATOM 463 N GLY A 66 157.588 215.259 179.193 1.00 55.90 N +ATOM 464 CA GLY A 66 156.582 215.235 178.149 1.00 49.06 C +ATOM 465 C GLY A 66 155.225 214.863 178.709 1.00 52.41 C +ATOM 466 O GLY A 66 155.097 214.578 179.899 1.00 56.04 O +ATOM 467 H GLY A 66 157.520 215.930 179.727 1.00 67.07 H +ATOM 468 HA2 GLY A 66 156.519 216.110 177.734 1.00 58.87 H +ATOM 469 HA3 GLY A 66 156.828 214.586 177.471 1.00 58.87 H +ATOM 470 N GLU A 67 154.214 214.858 177.847 1.00 57.79 N +ATOM 471 CA GLU A 67 152.842 214.602 178.273 1.00 65.12 C +ATOM 472 C GLU A 67 152.701 213.240 178.944 1.00 63.29 C +ATOM 473 O GLU A 67 152.034 213.117 179.969 1.00 60.41 O +ATOM 474 CB GLU A 67 151.886 214.691 177.082 1.00 79.51 C +ATOM 475 CG GLU A 67 150.416 214.568 177.464 1.00 82.36 C +ATOM 476 CD GLU A 67 149.486 214.643 176.269 1.00 86.75 C +ATOM 477 OE1 GLU A 67 149.949 215.009 175.167 1.00 83.82 O +ATOM 478 OE2 GLU A 67 148.287 214.333 176.434 1.00 72.16 O +ATOM 479 H GLU A 67 154.296 215.002 177.003 1.00 69.35 H +ATOM 480 HA GLU A 67 152.581 215.280 178.917 1.00 78.15 H +ATOM 481 HB2 GLU A 67 152.008 215.549 176.646 1.00 95.42 H +ATOM 482 HB3 GLU A 67 152.092 213.975 176.461 1.00 95.42 H +ATOM 483 HG2 GLU A 67 150.274 213.713 177.900 1.00 98.84 H +ATOM 484 HG3 GLU A 67 150.186 215.291 178.069 1.00 98.84 H +ATOM 485 N ASN A 68 153.330 212.223 178.360 1.00 59.01 N +ATOM 486 CA ASN A 68 153.251 210.858 178.875 1.00 60.29 C +ATOM 487 C ASN A 68 154.580 210.361 179.444 1.00 45.65 C +ATOM 488 O ASN A 68 154.793 209.156 179.567 1.00 46.12 O +ATOM 489 CB ASN A 68 152.776 209.908 177.771 1.00 66.14 C +ATOM 490 CG ASN A 68 151.365 210.213 177.306 1.00 52.49 C +ATOM 491 OD1 ASN A 68 150.501 210.576 178.103 1.00 50.92 O +ATOM 492 ND2 ASN A 68 151.124 210.063 176.010 1.00 54.45 N +ATOM 493 H ASN A 68 153.816 212.300 177.655 1.00 70.81 H +ATOM 494 HA ASN A 68 152.596 210.832 179.590 1.00 72.35 H +ATOM 495 HB2 ASN A 68 153.368 209.989 177.007 1.00 79.36 H +ATOM 496 HB3 ASN A 68 152.791 208.998 178.108 1.00 79.36 H +ATOM 497 HD21 ASN A 68 150.340 210.223 175.697 1.00 65.34 H +ATOM 498 HD22 ASN A 68 151.753 209.805 175.483 1.00 65.34 H +ATOM 499 N CYS A 69 155.465 211.291 179.794 1.00 48.22 N +ATOM 500 CA CYS A 69 156.771 210.947 180.355 1.00 46.90 C +ATOM 501 C CYS A 69 157.536 210.001 179.433 1.00 45.56 C +ATOM 502 O CYS A 69 158.149 209.038 179.893 1.00 41.24 O +ATOM 503 CB CYS A 69 156.614 210.308 181.741 1.00 51.45 C +ATOM 504 SG CYS A 69 155.873 211.377 183.001 1.00 52.83 S +ATOM 505 H CYS A 69 155.332 212.137 179.715 1.00 57.86 H +ATOM 506 HA CYS A 69 157.295 211.757 180.456 1.00 56.27 H +ATOM 507 HB2 CYS A 69 156.050 209.523 181.656 1.00 61.74 H +ATOM 508 HB3 CYS A 69 157.491 210.045 182.060 1.00 61.74 H +ATOM 509 N SER A 70 157.499 210.285 178.135 1.00 52.32 N +ATOM 510 CA SER A 70 158.058 209.388 177.127 1.00 45.96 C +ATOM 511 C SER A 70 159.399 209.869 176.584 1.00 43.94 C +ATOM 512 O SER A 70 160.208 209.067 176.116 1.00 49.29 O +ATOM 513 CB SER A 70 157.070 209.223 175.973 1.00 49.89 C +ATOM 514 OG SER A 70 155.887 208.579 176.410 1.00 54.32 O +ATOM 515 H SER A 70 157.152 211.001 177.808 1.00 62.79 H +ATOM 516 HA SER A 70 158.196 208.516 177.528 1.00 55.15 H +ATOM 517 HB2 SER A 70 156.843 210.099 175.623 1.00 59.87 H +ATOM 518 HB3 SER A 70 157.483 208.686 175.278 1.00 59.87 H +ATOM 519 HG SER A 70 155.352 208.494 175.768 1.00 65.19 H +ATOM 520 N THR A 71 159.634 211.175 176.646 1.00 46.75 N +ATOM 521 CA THR A 71 160.858 211.757 176.105 1.00 47.42 C +ATOM 522 C THR A 71 161.990 211.706 177.134 1.00 47.32 C +ATOM 523 O THR A 71 161.904 212.351 178.175 1.00 53.22 O +ATOM 524 CB THR A 71 160.642 213.213 175.681 1.00 49.99 C +ATOM 525 OG1 THR A 71 159.430 213.315 174.924 1.00 51.49 O +ATOM 526 CG2 THR A 71 161.811 213.704 174.838 1.00 54.74 C +ATOM 527 H THR A 71 159.099 211.749 176.998 1.00 56.10 H +ATOM 528 HA THR A 71 161.134 211.252 175.325 1.00 56.90 H +ATOM 529 HB THR A 71 160.577 213.773 176.471 1.00 59.99 H +ATOM 530 HG1 THR A 71 159.304 214.111 174.688 1.00 61.79 H +ATOM 531 HG21 THR A 71 161.665 214.626 174.574 1.00 65.69 H +ATOM 532 HG22 THR A 71 162.634 213.648 175.348 1.00 65.69 H +ATOM 533 HG23 THR A 71 161.897 213.158 174.040 1.00 65.69 H +ATOM 534 N PRO A 72 163.065 210.948 176.845 1.00 47.41 N +ATOM 535 CA PRO A 72 164.157 210.835 177.820 1.00 46.21 C +ATOM 536 C PRO A 72 164.988 212.106 177.936 1.00 48.12 C +ATOM 537 O PRO A 72 165.149 212.829 176.955 1.00 62.30 O +ATOM 538 CB PRO A 72 165.003 209.693 177.260 1.00 49.83 C +ATOM 539 CG PRO A 72 164.783 209.762 175.798 1.00 54.39 C +ATOM 540 CD PRO A 72 163.354 210.186 175.617 1.00 50.39 C +ATOM 541 HA PRO A 72 163.813 210.589 178.693 1.00 55.46 H +ATOM 542 HB2 PRO A 72 165.937 209.838 177.476 1.00 59.80 H +ATOM 543 HB3 PRO A 72 164.692 208.846 177.617 1.00 59.80 H +ATOM 544 HG2 PRO A 72 165.384 210.416 175.410 1.00 65.26 H +ATOM 545 HG3 PRO A 72 164.931 208.887 175.406 1.00 65.26 H +ATOM 546 HD2 PRO A 72 163.267 210.757 174.837 1.00 60.47 H +ATOM 547 HD3 PRO A 72 162.776 209.410 175.556 1.00 60.47 H +ATOM 548 N GLU A 73 165.509 212.369 179.128 1.00 51.41 N +ATOM 549 CA GLU A 73 166.451 213.461 179.322 1.00 43.01 C +ATOM 550 C GLU A 73 167.797 213.058 178.730 1.00 54.88 C +ATOM 551 O GLU A 73 167.979 211.911 178.318 1.00 52.71 O +ATOM 552 CB GLU A 73 166.586 213.804 180.805 1.00 56.06 C +ATOM 553 CG GLU A 73 165.284 214.263 181.444 1.00 57.07 C +ATOM 554 CD GLU A 73 165.398 214.462 182.943 1.00 57.37 C +ATOM 555 OE1 GLU A 73 166.302 213.862 183.561 1.00 58.25 O +ATOM 556 OE2 GLU A 73 164.581 215.222 183.503 1.00 73.89 O +ATOM 557 H GLU A 73 165.332 211.927 179.845 1.00 61.70 H +ATOM 558 HA GLU A 73 166.133 214.249 178.853 1.00 51.61 H +ATOM 559 HB2 GLU A 73 166.890 213.016 181.283 1.00 67.28 H +ATOM 560 HB3 GLU A 73 167.234 214.519 180.904 1.00 67.28 H +ATOM 561 HG2 GLU A 73 165.020 215.109 181.049 1.00 68.49 H +ATOM 562 HG3 GLU A 73 164.600 213.595 181.282 1.00 68.49 H +ATOM 563 N PHE A 74 168.737 213.996 178.684 1.00 57.03 N +ATOM 564 CA PHE A 74 170.031 213.745 178.060 1.00 54.36 C +ATOM 565 C PHE A 74 170.760 212.579 178.723 1.00 53.63 C +ATOM 566 O PHE A 74 171.256 211.680 178.045 1.00 50.91 O +ATOM 567 CB PHE A 74 170.900 215.004 178.111 1.00 50.87 C +ATOM 568 CG PHE A 74 172.261 214.820 177.507 1.00 53.41 C +ATOM 569 CD1 PHE A 74 173.398 214.875 178.294 1.00 52.68 C +ATOM 570 CD2 PHE A 74 172.401 214.572 176.154 1.00 51.84 C +ATOM 571 CE1 PHE A 74 174.649 214.698 177.737 1.00 52.44 C +ATOM 572 CE2 PHE A 74 173.648 214.394 175.596 1.00 52.77 C +ATOM 573 CZ PHE A 74 174.773 214.457 176.388 1.00 52.31 C +ATOM 574 H PHE A 74 168.649 214.788 179.008 1.00 68.44 H +ATOM 575 HA PHE A 74 169.891 213.517 177.128 1.00 65.23 H +ATOM 576 HB2 PHE A 74 170.453 215.714 177.623 1.00 61.05 H +ATOM 577 HB3 PHE A 74 171.019 215.266 179.037 1.00 61.05 H +ATOM 578 HD1 PHE A 74 173.320 215.038 179.206 1.00 63.22 H +ATOM 579 HD2 PHE A 74 171.646 214.528 175.614 1.00 62.20 H +ATOM 580 HE1 PHE A 74 175.408 214.741 178.273 1.00 62.92 H +ATOM 581 HE2 PHE A 74 173.731 214.231 174.684 1.00 63.32 H +ATOM 582 HZ PHE A 74 175.615 214.338 176.012 1.00 62.77 H +ATOM 583 N LEU A 75 170.823 212.596 180.050 1.00 58.94 N +ATOM 584 CA LEU A 75 171.471 211.526 180.803 1.00 61.15 C +ATOM 585 C LEU A 75 170.779 210.186 180.591 1.00 54.47 C +ATOM 586 O LEU A 75 171.435 209.153 180.457 1.00 50.39 O +ATOM 587 CB LEU A 75 171.492 211.862 182.294 1.00 67.58 C +ATOM 588 CG LEU A 75 172.624 212.756 182.816 1.00 92.22 C +ATOM 589 CD1 LEU A 75 173.189 213.689 181.748 1.00 67.63 C +ATOM 590 CD2 LEU A 75 172.132 213.551 184.019 1.00 96.80 C +ATOM 591 H LEU A 75 170.496 213.221 180.542 1.00 70.73 H +ATOM 592 HA LEU A 75 172.389 211.440 180.503 1.00 73.38 H +ATOM 593 HB2 LEU A 75 170.658 212.309 182.511 1.00 81.10 H +ATOM 594 HB3 LEU A 75 171.541 211.028 182.787 1.00 81.10 H +ATOM 595 HG LEU A 75 173.349 212.187 183.120 1.00110.66 H +ATOM 596 HD11 LEU A 75 173.898 214.224 182.140 1.00 81.16 H +ATOM 597 HD12 LEU A 75 173.542 213.156 181.018 1.00 81.16 H +ATOM 598 HD13 LEU A 75 172.479 214.265 181.425 1.00 81.16 H +ATOM 599 HD21 LEU A 75 172.853 214.113 184.342 1.00116.15 H +ATOM 600 HD22 LEU A 75 171.380 214.101 183.747 1.00116.15 H +ATOM 601 HD23 LEU A 75 171.856 212.933 184.714 1.00116.15 H +ATOM 602 N THR A 76 169.452 210.214 180.565 1.00 44.41 N +ATOM 603 CA THR A 76 168.664 209.000 180.406 1.00 44.58 C +ATOM 604 C THR A 76 168.957 208.331 179.068 1.00 48.19 C +ATOM 605 O THR A 76 168.979 207.106 178.975 1.00 46.68 O +ATOM 606 CB THR A 76 167.160 209.298 180.512 1.00 51.16 C +ATOM 607 OG1 THR A 76 166.900 209.990 181.738 1.00 48.42 O +ATOM 608 CG2 THR A 76 166.347 208.010 180.474 1.00 42.24 C +ATOM 609 H THR A 76 168.981 210.929 180.639 1.00 53.29 H +ATOM 610 HA THR A 76 168.897 208.376 181.111 1.00 53.50 H +ATOM 611 HB THR A 76 166.888 209.853 179.765 1.00 61.40 H +ATOM 612 HG1 THR A 76 166.079 210.157 181.805 1.00 58.11 H +ATOM 613 HG21 THR A 76 165.401 208.214 180.542 1.00 50.69 H +ATOM 614 HG22 THR A 76 166.509 207.540 179.642 1.00 50.69 H +ATOM 615 HG23 THR A 76 166.599 207.437 181.215 1.00 50.69 H +ATOM 616 N ARG A 77 169.180 209.141 178.036 1.00 57.15 N +ATOM 617 CA ARG A 77 169.543 208.627 176.719 1.00 48.57 C +ATOM 618 C ARG A 77 170.836 207.834 176.773 1.00 47.11 C +ATOM 619 O ARG A 77 170.945 206.768 176.171 1.00 53.07 O +ATOM 620 CB ARG A 77 169.689 209.768 175.713 1.00 50.44 C +ATOM 621 CG ARG A 77 168.394 210.145 175.039 1.00 75.37 C +ATOM 622 CD ARG A 77 168.600 211.178 173.949 1.00 52.40 C +ATOM 623 NE ARG A 77 167.316 211.669 173.463 1.00 51.83 N +ATOM 624 CZ ARG A 77 166.484 210.960 172.709 1.00 52.54 C +ATOM 625 NH1 ARG A 77 166.799 209.722 172.346 1.00 53.03 N +ATOM 626 NH2 ARG A 77 165.333 211.487 172.318 1.00 53.28 N +ATOM 627 H ARG A 77 169.126 209.998 178.074 1.00 68.58 H +ATOM 628 HA ARG A 77 168.840 208.036 176.405 1.00 58.29 H +ATOM 629 HB2 ARG A 77 170.023 210.552 176.175 1.00 60.53 H +ATOM 630 HB3 ARG A 77 170.316 209.499 175.024 1.00 60.53 H +ATOM 631 HG2 ARG A 77 168.003 209.355 174.636 1.00 90.44 H +ATOM 632 HG3 ARG A 77 167.789 210.518 175.698 1.00 90.44 H +ATOM 633 HD2 ARG A 77 169.101 211.929 174.305 1.00 62.88 H +ATOM 634 HD3 ARG A 77 169.075 210.775 173.206 1.00 62.88 H +ATOM 635 HE ARG A 77 167.102 212.482 173.643 1.00 62.19 H +ATOM 636 HH11 ARG A 77 167.544 209.377 172.600 1.00 63.64 H +ATOM 637 HH12 ARG A 77 166.258 209.267 171.857 1.00 63.64 H +ATOM 638 HH21 ARG A 77 165.127 212.289 172.550 1.00 63.93 H +ATOM 639 HH22 ARG A 77 164.795 211.029 171.827 1.00 63.93 H +ATOM 640 N ILE A 78 171.816 208.367 177.493 1.00 51.13 N +ATOM 641 CA ILE A 78 173.115 207.724 177.607 1.00 51.53 C +ATOM 642 C ILE A 78 172.993 206.404 178.357 1.00 57.16 C +ATOM 643 O ILE A 78 173.480 205.377 177.889 1.00 61.13 O +ATOM 644 CB ILE A 78 174.133 208.639 178.315 1.00 52.29 C +ATOM 645 CG1 ILE A 78 174.372 209.891 177.463 1.00 55.37 C +ATOM 646 CG2 ILE A 78 175.448 207.896 178.562 1.00 52.27 C +ATOM 647 CD1 ILE A 78 175.328 210.900 178.067 1.00 55.82 C +ATOM 648 H ILE A 78 171.751 209.106 177.928 1.00 61.35 H +ATOM 649 HA ILE A 78 173.452 207.533 176.718 1.00 61.84 H +ATOM 650 HB ILE A 78 173.764 208.911 179.170 1.00 62.75 H +ATOM 651 HG12 ILE A 78 174.737 209.617 176.607 1.00 66.44 H +ATOM 652 HG13 ILE A 78 173.522 210.338 177.326 1.00 66.44 H +ATOM 653 HG21 ILE A 78 176.069 208.494 179.007 1.00 62.73 H +ATOM 654 HG22 ILE A 78 175.273 207.123 179.121 1.00 62.73 H +ATOM 655 HG23 ILE A 78 175.814 207.612 177.710 1.00 62.73 H +ATOM 656 HD11 ILE A 78 175.416 211.652 177.461 1.00 66.98 H +ATOM 657 HD12 ILE A 78 174.973 211.200 178.918 1.00 66.98 H +ATOM 658 HD13 ILE A 78 176.191 210.477 178.198 1.00 66.98 H +ATOM 659 N LYS A 79 172.345 206.437 179.517 1.00 53.60 N +ATOM 660 CA LYS A 79 172.129 205.230 180.311 1.00 50.66 C +ATOM 661 C LYS A 79 171.408 204.163 179.495 1.00 58.54 C +ATOM 662 O LYS A 79 171.841 203.012 179.442 1.00 61.60 O +ATOM 663 CB LYS A 79 171.325 205.552 181.571 1.00 51.27 C +ATOM 664 CG LYS A 79 172.073 206.393 182.591 1.00 52.30 C +ATOM 665 CD LYS A 79 171.121 207.051 183.579 1.00 60.94 C +ATOM 666 CE LYS A 79 170.269 206.031 184.320 1.00 62.29 C +ATOM 667 NZ LYS A 79 169.370 206.682 185.313 1.00 67.27 N +ATOM 668 H LYS A 79 172.018 207.150 179.870 1.00 64.32 H +ATOM 669 HA LYS A 79 172.988 204.872 180.584 1.00 60.79 H +ATOM 670 HB2 LYS A 79 170.527 206.041 181.315 1.00 61.52 H +ATOM 671 HB3 LYS A 79 171.075 204.720 182.002 1.00 61.52 H +ATOM 672 HG2 LYS A 79 172.682 205.826 183.089 1.00 62.75 H +ATOM 673 HG3 LYS A 79 172.564 207.092 182.132 1.00 62.75 H +ATOM 674 HD2 LYS A 79 171.635 207.548 184.235 1.00 73.12 H +ATOM 675 HD3 LYS A 79 170.526 207.649 183.099 1.00 73.12 H +ATOM 676 HE2 LYS A 79 169.718 205.550 183.682 1.00 74.75 H +ATOM 677 HE3 LYS A 79 170.849 205.414 184.794 1.00 74.75 H +ATOM 678 HZ1 LYS A 79 168.884 206.066 185.733 1.00 80.73 H +ATOM 679 HZ2 LYS A 79 169.853 207.127 185.914 1.00 80.73 H +ATOM 680 HZ3 LYS A 79 168.824 207.251 184.902 1.00 80.73 H +ATOM 681 N LEU A 80 170.310 204.558 178.859 1.00 59.19 N +ATOM 682 CA LEU A 80 169.516 203.646 178.041 1.00 56.18 C +ATOM 683 C LEU A 80 170.346 202.993 176.945 1.00 64.24 C +ATOM 684 O LEU A 80 170.124 201.836 176.589 1.00 67.04 O +ATOM 685 CB LEU A 80 168.337 204.389 177.412 1.00 50.09 C +ATOM 686 CG LEU A 80 167.026 204.372 178.199 1.00 61.78 C +ATOM 687 CD1 LEU A 80 166.053 205.392 177.632 1.00 59.07 C +ATOM 688 CD2 LEU A 80 166.411 202.978 178.176 1.00 64.73 C +ATOM 689 H LEU A 80 169.999 205.360 178.885 1.00 71.02 H +ATOM 690 HA LEU A 80 169.161 202.943 178.607 1.00 67.42 H +ATOM 691 HB2 LEU A 80 168.591 205.318 177.296 1.00 60.10 H +ATOM 692 HB3 LEU A 80 168.157 203.995 176.544 1.00 60.10 H +ATOM 693 HG LEU A 80 167.206 204.607 179.123 1.00 74.14 H +ATOM 694 HD11 LEU A 80 165.230 205.363 178.145 1.00 70.89 H +ATOM 695 HD12 LEU A 80 166.450 206.274 177.693 1.00 70.89 H +ATOM 696 HD13 LEU A 80 165.872 205.173 176.704 1.00 70.89 H +ATOM 697 HD21 LEU A 80 165.582 202.990 178.679 1.00 77.67 H +ATOM 698 HD22 LEU A 80 166.236 202.726 177.255 1.00 77.67 H +ATOM 699 HD23 LEU A 80 167.034 202.352 178.577 1.00 77.67 H +ATOM 700 N PHE A 81 171.303 203.743 176.413 1.00 73.44 N +ATOM 701 CA PHE A 81 172.111 203.277 175.296 1.00 68.29 C +ATOM 702 C PHE A 81 173.206 202.316 175.749 1.00 61.87 C +ATOM 703 O PHE A 81 173.634 201.452 174.987 1.00 73.78 O +ATOM 704 CB PHE A 81 172.727 204.469 174.563 1.00 75.38 C +ATOM 705 CG PHE A 81 173.652 204.081 173.449 1.00 88.01 C +ATOM 706 CD1 PHE A 81 173.150 203.672 172.225 1.00 74.21 C +ATOM 707 CD2 PHE A 81 175.025 204.124 173.624 1.00 79.02 C +ATOM 708 CE1 PHE A 81 174.000 203.314 171.198 1.00 73.75 C +ATOM 709 CE2 PHE A 81 175.878 203.768 172.600 1.00 68.53 C +ATOM 710 CZ PHE A 81 175.366 203.362 171.386 1.00 68.23 C +ATOM 711 H PHE A 81 171.505 204.534 176.684 1.00 88.13 H +ATOM 712 HA PHE A 81 171.540 202.804 174.671 1.00 81.95 H +ATOM 713 HB2 PHE A 81 172.013 205.005 174.183 1.00 90.46 H +ATOM 714 HB3 PHE A 81 173.233 204.999 175.199 1.00 90.46 H +ATOM 715 HD1 PHE A 81 172.230 203.638 172.094 1.00 89.05 H +ATOM 716 HD2 PHE A 81 175.376 204.397 174.440 1.00 94.82 H +ATOM 717 HE1 PHE A 81 173.652 203.040 170.380 1.00 88.50 H +ATOM 718 HE2 PHE A 81 176.799 203.801 172.728 1.00 82.23 H +ATOM 719 HZ PHE A 81 175.940 203.121 170.695 1.00 81.87 H +ATOM 720 N LEU A 82 173.654 202.466 176.992 1.00 66.30 N +ATOM 721 CA LEU A 82 174.726 201.633 177.530 1.00 69.00 C +ATOM 722 C LEU A 82 174.189 200.454 178.338 1.00 74.19 C +ATOM 723 O LEU A 82 174.930 199.517 178.636 1.00 72.71 O +ATOM 724 CB LEU A 82 175.663 202.474 178.401 1.00 63.95 C +ATOM 725 CG LEU A 82 176.335 203.666 177.708 1.00 63.08 C +ATOM 726 CD1 LEU A 82 177.295 204.362 178.660 1.00 60.99 C +ATOM 727 CD2 LEU A 82 177.056 203.240 176.434 1.00 65.20 C +ATOM 728 H LEU A 82 173.351 203.047 177.548 1.00 79.55 H +ATOM 729 HA LEU A 82 175.245 201.276 176.793 1.00 82.81 H +ATOM 730 HB2 LEU A 82 175.153 202.824 179.148 1.00 76.74 H +ATOM 731 HB3 LEU A 82 176.369 201.898 178.734 1.00 76.74 H +ATOM 732 HG LEU A 82 175.650 204.307 177.458 1.00 75.69 H +ATOM 733 HD11 LEU A 82 177.707 205.110 178.201 1.00 73.19 H +ATOM 734 HD12 LEU A 82 176.800 204.678 179.432 1.00 73.19 H +ATOM 735 HD13 LEU A 82 177.975 203.729 178.939 1.00 73.19 H +ATOM 736 HD21 LEU A 82 177.466 204.019 176.028 1.00 78.24 H +ATOM 737 HD22 LEU A 82 177.738 202.588 176.661 1.00 78.24 H +ATOM 738 HD23 LEU A 82 176.413 202.847 175.823 1.00 78.24 H +ATOM 739 N LYS A 83 172.908 200.498 178.684 1.00 91.81 N +ATOM 740 CA LYS A 83 172.299 199.434 179.475 1.00 72.52 C +ATOM 741 C LYS A 83 172.119 198.162 178.641 1.00 66.02 C +ATOM 742 O LYS A 83 171.475 198.199 177.595 1.00 57.04 O +ATOM 743 CB LYS A 83 170.947 199.885 180.028 1.00 82.03 C +ATOM 744 CG LYS A 83 170.305 198.875 180.971 1.00 68.62 C +ATOM 745 CD LYS A 83 169.108 199.468 181.695 1.00 72.25 C +ATOM 746 CE LYS A 83 168.536 198.491 182.711 1.00 74.56 C +ATOM 747 NZ LYS A 83 167.614 197.501 182.090 1.00 74.81 N +ATOM 748 H LYS A 83 172.368 201.133 178.474 1.00110.17 H +ATOM 749 HA LYS A 83 172.877 199.224 180.224 1.00 87.02 H +ATOM 750 HB2 LYS A 83 171.070 200.713 180.519 1.00 98.44 H +ATOM 751 HB3 LYS A 83 170.337 200.029 179.287 1.00 98.44 H +ATOM 752 HG2 LYS A 83 170.001 198.108 180.460 1.00 82.34 H +ATOM 753 HG3 LYS A 83 170.955 198.598 181.635 1.00 82.34 H +ATOM 754 HD2 LYS A 83 169.383 200.271 182.166 1.00 86.70 H +ATOM 755 HD3 LYS A 83 168.414 199.678 181.050 1.00 86.70 H +ATOM 756 HE2 LYS A 83 169.264 198.005 183.128 1.00 89.48 H +ATOM 757 HE3 LYS A 83 168.039 198.986 183.382 1.00 89.48 H +ATOM 758 HZ1 LYS A 83 167.299 196.947 182.711 1.00 89.77 H +ATOM 759 HZ2 LYS A 83 166.931 197.921 181.704 1.00 89.77 H +ATOM 760 HZ3 LYS A 83 168.048 197.027 181.473 1.00 89.77 H +ATOM 761 N PRO A 84 172.680 197.025 179.098 1.00 64.23 N +ATOM 762 CA PRO A 84 172.465 195.774 178.361 1.00 61.53 C +ATOM 763 C PRO A 84 171.138 195.114 178.719 1.00 63.79 C +ATOM 764 O PRO A 84 170.638 195.317 179.825 1.00 68.08 O +ATOM 765 CB PRO A 84 173.647 194.896 178.800 1.00 58.92 C +ATOM 766 CG PRO A 84 174.346 195.648 179.917 1.00 53.36 C +ATOM 767 CD PRO A 84 173.493 196.803 180.303 1.00 52.37 C +ATOM 768 HA PRO A 84 172.509 195.928 177.405 1.00 73.84 H +ATOM 769 HB2 PRO A 84 173.315 194.043 179.120 1.00 70.70 H +ATOM 770 HB3 PRO A 84 174.249 194.766 178.050 1.00 70.70 H +ATOM 771 HG2 PRO A 84 174.466 195.053 180.674 1.00 64.03 H +ATOM 772 HG3 PRO A 84 175.208 195.961 179.599 1.00 64.03 H +ATOM 773 HD2 PRO A 84 172.928 196.571 181.056 1.00 62.84 H +ATOM 774 HD3 PRO A 84 174.040 197.581 180.492 1.00 62.84 H +ATOM 775 N THR A 85 170.577 194.337 177.798 1.00 63.01 N +ATOM 776 CA THR A 85 169.320 193.645 178.060 1.00 74.43 C +ATOM 777 C THR A 85 169.520 192.583 179.144 1.00 83.18 C +ATOM 778 O THR A 85 170.582 191.970 179.218 1.00 70.33 O +ATOM 779 CB THR A 85 168.760 192.971 176.791 1.00 83.79 C +ATOM 780 OG1 THR A 85 169.708 192.021 176.284 1.00 71.32 O +ATOM 781 CG2 THR A 85 168.461 194.003 175.719 1.00 67.54 C +ATOM 782 H THR A 85 170.904 194.195 177.016 1.00 75.61 H +ATOM 783 HA THR A 85 168.664 194.284 178.378 1.00 89.32 H +ATOM 784 HB THR A 85 167.934 192.512 177.010 1.00100.54 H +ATOM 785 HG1 THR A 85 169.404 191.653 175.592 1.00 85.59 H +ATOM 786 HG21 THR A 85 168.110 193.567 174.927 1.00 81.05 H +ATOM 787 HG22 THR A 85 167.805 194.639 176.045 1.00 81.05 H +ATOM 788 HG23 THR A 85 169.272 194.481 175.482 1.00 81.05 H +ATOM 789 N PRO A 86 168.504 192.369 180.000 1.00 92.65 N +ATOM 790 CA PRO A 86 168.601 191.332 181.036 1.00 74.31 C +ATOM 791 C PRO A 86 168.987 189.964 180.478 1.00 69.66 C +ATOM 792 O PRO A 86 169.737 189.231 181.123 1.00 63.56 O +ATOM 793 CB PRO A 86 167.192 191.305 181.628 1.00 74.58 C +ATOM 794 CG PRO A 86 166.688 192.684 181.430 1.00 85.21 C +ATOM 795 CD PRO A 86 167.257 193.145 180.122 1.00 95.36 C +ATOM 796 HA PRO A 86 169.235 191.595 181.721 1.00 89.17 H +ATOM 797 HB2 PRO A 86 166.645 190.664 181.146 1.00 89.50 H +ATOM 798 HB3 PRO A 86 167.235 191.084 182.571 1.00 89.50 H +ATOM 799 HG2 PRO A 86 165.718 192.674 181.396 1.00102.25 H +ATOM 800 HG3 PRO A 86 166.998 193.250 182.155 1.00102.25 H +ATOM 801 HD2 PRO A 86 166.652 192.930 179.395 1.00114.43 H +ATOM 802 HD3 PRO A 86 167.451 194.095 180.153 1.00114.43 H +ATOM 803 N ASN A 87 168.478 189.631 179.295 1.00 73.59 N +ATOM 804 CA ASN A 87 168.826 188.378 178.635 1.00 69.63 C +ATOM 805 C ASN A 87 170.318 188.297 178.340 1.00 67.51 C +ATOM 806 O ASN A 87 170.908 187.217 178.385 1.00 63.37 O +ATOM 807 CB ASN A 87 168.028 188.219 177.341 1.00 64.02 C +ATOM 808 CG ASN A 87 166.572 187.881 177.592 1.00 63.32 C +ATOM 809 OD1 ASN A 87 166.125 187.820 178.737 1.00 71.55 O +ATOM 810 ND2 ASN A 87 165.823 187.665 176.519 1.00 91.40 N +ATOM 811 H ASN A 87 167.925 190.118 178.852 1.00 88.30 H +ATOM 812 HA ASN A 87 168.596 187.640 179.220 1.00 83.55 H +ATOM 813 HB2 ASN A 87 168.062 189.052 176.844 1.00 76.83 H +ATOM 814 HB3 ASN A 87 168.417 187.503 176.815 1.00 76.83 H +ATOM 815 HD21 ASN A 87 164.990 187.470 176.608 1.00109.68 H +ATOM 816 HD22 ASN A 87 166.169 187.721 175.734 1.00109.68 H +ATOM 817 N THR A 88 170.922 189.441 178.037 1.00 74.55 N +ATOM 818 CA THR A 88 172.361 189.512 177.804 1.00 69.65 C +ATOM 819 C THR A 88 173.104 189.314 179.118 1.00 59.89 C +ATOM 820 O THR A 88 174.040 188.519 179.199 1.00 57.17 O +ATOM 821 CB THR A 88 172.769 190.863 177.169 1.00 67.93 C +ATOM 822 OG1 THR A 88 172.276 190.928 175.825 1.00 61.79 O +ATOM 823 CG2 THR A 88 174.286 191.034 177.155 1.00 61.29 C +ATOM 824 H THR A 88 170.518 190.196 177.960 1.00 89.46 H +ATOM 825 HA THR A 88 172.621 188.801 177.198 1.00 83.58 H +ATOM 826 HB THR A 88 172.386 191.589 177.686 1.00 81.52 H +ATOM 827 HG1 THR A 88 171.439 190.864 175.823 1.00 74.15 H +ATOM 828 HG21 THR A 88 174.520 191.885 176.754 1.00 73.55 H +ATOM 829 HG22 THR A 88 174.630 191.007 178.062 1.00 73.55 H +ATOM 830 HG23 THR A 88 174.695 190.320 176.642 1.00 73.55 H +ATOM 831 N VAL A 89 172.679 190.048 180.142 1.00 62.62 N +ATOM 832 CA VAL A 89 173.248 189.918 181.478 1.00 60.43 C +ATOM 833 C VAL A 89 173.154 188.478 181.968 1.00 53.50 C +ATOM 834 O VAL A 89 174.094 187.950 182.562 1.00 39.24 O +ATOM 835 CB VAL A 89 172.533 190.845 182.486 1.00 57.02 C +ATOM 836 CG1 VAL A 89 173.075 190.642 183.897 1.00 63.54 C +ATOM 837 CG2 VAL A 89 172.683 192.295 182.066 1.00 57.68 C +ATOM 838 H VAL A 89 172.053 190.635 180.088 1.00 75.14 H +ATOM 839 HA VAL A 89 174.185 190.167 181.450 1.00 72.51 H +ATOM 840 HB VAL A 89 171.587 190.632 182.494 1.00 68.43 H +ATOM 841 HG11 VAL A 89 172.607 191.237 184.503 1.00 76.24 H +ATOM 842 HG12 VAL A 89 172.931 189.720 184.160 1.00 76.24 H +ATOM 843 HG13 VAL A 89 174.024 190.844 183.902 1.00 76.24 H +ATOM 844 HG21 VAL A 89 172.227 192.858 182.712 1.00 69.21 H +ATOM 845 HG22 VAL A 89 173.626 192.520 182.038 1.00 69.21 H +ATOM 846 HG23 VAL A 89 172.288 192.412 181.188 1.00 69.21 H +ATOM 847 N HIS A 90 172.012 187.848 181.717 1.00 53.65 N +ATOM 848 CA HIS A 90 171.790 186.478 182.156 1.00 52.21 C +ATOM 849 C HIS A 90 172.701 185.507 181.415 1.00 51.91 C +ATOM 850 O HIS A 90 173.205 184.552 182.004 1.00 45.49 O +ATOM 851 CB HIS A 90 170.329 186.076 181.955 1.00 54.52 C +ATOM 852 CG HIS A 90 170.019 184.689 182.425 1.00 59.41 C +ATOM 853 ND1 HIS A 90 170.121 183.585 181.607 1.00 58.13 N +ATOM 854 CD2 HIS A 90 169.620 184.226 183.633 1.00 55.60 C +ATOM 855 CE1 HIS A 90 169.792 182.502 182.289 1.00 54.72 C +ATOM 856 NE2 HIS A 90 169.483 182.864 183.521 1.00 63.79 N +ATOM 857 H HIS A 90 171.348 188.195 181.294 1.00 64.37 H +ATOM 858 HA HIS A 90 171.990 186.413 183.103 1.00 62.65 H +ATOM 859 HB2 HIS A 90 169.764 186.690 182.448 1.00 65.42 H +ATOM 860 HB3 HIS A 90 170.119 186.123 181.009 1.00 65.42 H +ATOM 861 HD2 HIS A 90 169.463 184.736 184.395 1.00 66.72 H +ATOM 862 HE1 HIS A 90 169.780 181.633 181.958 1.00 65.66 H +ATOM 863 HE2 HIS A 90 169.237 182.333 184.151 1.00 76.55 H +ATOM 864 N TYR A 91 172.904 185.749 180.124 1.00 58.15 N +ATOM 865 CA TYR A 91 173.809 184.927 179.329 1.00 50.08 C +ATOM 866 C TYR A 91 175.216 185.000 179.901 1.00 48.84 C +ATOM 867 O TYR A 91 175.882 183.982 180.083 1.00 52.02 O +ATOM 868 CB TYR A 91 173.819 185.378 177.867 1.00 57.96 C +ATOM 869 CG TYR A 91 174.803 184.613 177.008 1.00 63.50 C +ATOM 870 CD1 TYR A 91 174.402 183.500 176.283 1.00 59.10 C +ATOM 871 CD2 TYR A 91 176.136 184.999 176.931 1.00 56.74 C +ATOM 872 CE1 TYR A 91 175.298 182.795 175.504 1.00 63.32 C +ATOM 873 CE2 TYR A 91 177.039 184.299 176.155 1.00 54.64 C +ATOM 874 CZ TYR A 91 176.614 183.198 175.443 1.00 64.95 C +ATOM 875 OH TYR A 91 177.509 182.498 174.667 1.00 73.46 O +ATOM 876 H TYR A 91 172.527 186.385 179.683 1.00 69.78 H +ATOM 877 HA TYR A 91 173.515 184.004 179.361 1.00 60.09 H +ATOM 878 HB2 TYR A 91 172.933 185.248 177.493 1.00 69.56 H +ATOM 879 HB3 TYR A 91 174.058 186.317 177.830 1.00 69.56 H +ATOM 880 HD1 TYR A 91 173.515 183.224 176.323 1.00 70.91 H +ATOM 881 HD2 TYR A 91 176.425 185.741 177.412 1.00 68.08 H +ATOM 882 HE1 TYR A 91 175.014 182.051 175.022 1.00 75.98 H +ATOM 883 HE2 TYR A 91 177.927 184.570 176.112 1.00 65.57 H +ATOM 884 HH TYR A 91 178.271 182.848 174.719 1.00 88.15 H +ATOM 885 N ILE A 92 175.659 186.221 180.177 1.00 42.34 N +ATOM 886 CA ILE A 92 176.994 186.468 180.701 1.00 42.52 C +ATOM 887 C ILE A 92 177.194 185.797 182.057 1.00 48.11 C +ATOM 888 O ILE A 92 178.249 185.223 182.326 1.00 42.74 O +ATOM 889 CB ILE A 92 177.253 187.984 180.820 1.00 44.98 C +ATOM 890 CG1 ILE A 92 177.385 188.595 179.423 1.00 44.09 C +ATOM 891 CG2 ILE A 92 178.513 188.275 181.639 1.00 41.59 C +ATOM 892 CD1 ILE A 92 177.160 190.085 179.381 1.00 45.67 C +ATOM 893 H ILE A 92 175.195 186.936 180.065 1.00 50.81 H +ATOM 894 HA ILE A 92 177.647 186.099 180.086 1.00 51.02 H +ATOM 895 HB ILE A 92 176.494 188.392 181.265 1.00 53.98 H +ATOM 896 HG12 ILE A 92 178.279 188.422 179.090 1.00 52.90 H +ATOM 897 HG13 ILE A 92 176.731 188.181 178.838 1.00 52.90 H +ATOM 898 HG21 ILE A 92 178.641 189.236 181.691 1.00 49.91 H +ATOM 899 HG22 ILE A 92 178.402 187.908 182.530 1.00 49.91 H +ATOM 900 HG23 ILE A 92 179.275 187.863 181.203 1.00 49.91 H +ATOM 901 HD11 ILE A 92 177.261 190.394 178.467 1.00 54.81 H +ATOM 902 HD12 ILE A 92 176.264 190.278 179.699 1.00 54.81 H +ATOM 903 HD13 ILE A 92 177.814 190.519 179.951 1.00 54.81 H +ATOM 904 N LEU A 93 176.175 185.872 182.906 1.00 50.07 N +ATOM 905 CA LEU A 93 176.267 185.332 184.258 1.00 45.84 C +ATOM 906 C LEU A 93 176.161 183.810 184.281 1.00 45.90 C +ATOM 907 O LEU A 93 176.622 183.169 185.224 1.00 45.29 O +ATOM 908 CB LEU A 93 175.182 185.945 185.147 1.00 49.21 C +ATOM 909 CG LEU A 93 175.511 187.326 185.718 1.00 41.62 C +ATOM 910 CD1 LEU A 93 174.256 188.025 186.200 1.00 50.52 C +ATOM 911 CD2 LEU A 93 176.513 187.202 186.852 1.00 36.82 C +ATOM 912 H LEU A 93 175.416 186.232 182.723 1.00 60.08 H +ATOM 913 HA LEU A 93 177.129 185.574 184.632 1.00 55.01 H +ATOM 914 HB2 LEU A 93 174.369 186.032 184.624 1.00 59.05 H +ATOM 915 HB3 LEU A 93 175.025 185.349 185.896 1.00 59.05 H +ATOM 916 HG LEU A 93 175.911 187.870 185.022 1.00 49.95 H +ATOM 917 HD11 LEU A 93 174.497 188.895 186.555 1.00 60.62 H +ATOM 918 HD12 LEU A 93 173.647 188.130 185.452 1.00 60.62 H +ATOM 919 HD13 LEU A 93 173.841 187.487 186.892 1.00 60.62 H +ATOM 920 HD21 LEU A 93 176.707 188.087 187.199 1.00 44.19 H +ATOM 921 HD22 LEU A 93 176.131 186.649 187.551 1.00 44.19 H +ATOM 922 HD23 LEU A 93 177.325 186.794 186.512 1.00 44.19 H +ATOM 923 N THR A 94 175.561 183.234 183.243 1.00 43.78 N +ATOM 924 CA THR A 94 175.367 181.787 183.171 1.00 45.27 C +ATOM 925 C THR A 94 176.345 181.126 182.198 1.00 49.10 C +ATOM 926 O THR A 94 176.210 179.946 181.877 1.00 43.63 O +ATOM 927 CB THR A 94 173.928 181.441 182.755 1.00 49.21 C +ATOM 928 OG1 THR A 94 173.628 182.050 181.493 1.00 49.14 O +ATOM 929 CG2 THR A 94 172.938 181.932 183.808 1.00 44.98 C +ATOM 930 H THR A 94 175.255 183.662 182.563 1.00 52.53 H +ATOM 931 HA THR A 94 175.521 181.407 184.050 1.00 54.32 H +ATOM 932 HB THR A 94 173.839 180.478 182.676 1.00 59.05 H +ATOM 933 HG1 THR A 94 173.703 182.885 181.552 1.00 58.97 H +ATOM 934 HG21 THR A 94 172.033 181.710 183.540 1.00 53.98 H +ATOM 935 HG22 THR A 94 173.126 181.511 184.661 1.00 53.98 H +ATOM 936 HG23 THR A 94 173.011 182.894 183.908 1.00 53.98 H +ATOM 937 N HIS A 95 177.329 181.893 181.737 1.00 50.86 N +ATOM 938 CA HIS A 95 178.393 181.373 180.882 1.00 57.19 C +ATOM 939 C HIS A 95 179.754 181.787 181.427 1.00 55.31 C +ATOM 940 O HIS A 95 179.837 182.455 182.455 1.00 54.15 O +ATOM 941 CB HIS A 95 178.228 181.872 179.444 1.00 61.33 C +ATOM 942 CG HIS A 95 177.075 181.253 178.718 1.00 57.74 C +ATOM 943 ND1 HIS A 95 175.762 181.531 179.029 1.00 61.10 N +ATOM 944 CD2 HIS A 95 177.040 180.367 177.696 1.00 56.60 C +ATOM 945 CE1 HIS A 95 174.967 180.844 178.228 1.00 66.31 C +ATOM 946 NE2 HIS A 95 175.718 180.130 177.409 1.00 73.83 N +ATOM 947 H HIS A 95 177.404 182.733 181.908 1.00 61.03 H +ATOM 948 HA HIS A 95 178.351 180.404 180.873 1.00 68.62 H +ATOM 949 HB2 HIS A 95 178.088 182.831 179.460 1.00 73.60 H +ATOM 950 HB3 HIS A 95 179.036 181.666 178.948 1.00 73.60 H +ATOM 951 HD1 HIS A 95 175.500 182.069 179.647 1.00 73.32 H +ATOM 952 HD2 HIS A 95 177.774 179.990 177.266 1.00 67.92 H +ATOM 953 HE1 HIS A 95 174.037 180.860 178.239 1.00 79.58 H +ATOM 954 N PHE A 96 180.814 181.381 180.733 1.00 51.31 N +ATOM 955 CA PHE A 96 182.180 181.748 181.102 1.00 54.78 C +ATOM 956 C PHE A 96 182.523 181.261 182.507 1.00 45.71 C +ATOM 957 O PHE A 96 182.929 182.041 183.367 1.00 48.61 O +ATOM 958 CB PHE A 96 182.369 183.264 181.006 1.00 50.44 C +ATOM 959 CG PHE A 96 181.826 183.860 179.740 1.00 59.99 C +ATOM 960 CD1 PHE A 96 182.442 183.618 178.524 1.00 64.21 C +ATOM 961 CD2 PHE A 96 180.700 184.664 179.766 1.00 56.88 C +ATOM 962 CE1 PHE A 96 181.943 184.165 177.357 1.00 56.67 C +ATOM 963 CE2 PHE A 96 180.197 185.214 178.604 1.00 53.87 C +ATOM 964 CZ PHE A 96 180.821 184.964 177.396 1.00 55.38 C +ATOM 965 H PHE A 96 180.767 180.885 180.032 1.00 61.58 H +ATOM 966 HA PHE A 96 182.797 181.330 180.481 1.00 65.74 H +ATOM 967 HB2 PHE A 96 181.912 183.684 181.751 1.00 60.52 H +ATOM 968 HB3 PHE A 96 183.317 183.464 181.045 1.00 60.52 H +ATOM 969 HD1 PHE A 96 183.199 183.079 178.491 1.00 77.06 H +ATOM 970 HD2 PHE A 96 180.276 184.835 180.576 1.00 68.26 H +ATOM 971 HE1 PHE A 96 182.365 183.995 176.545 1.00 68.00 H +ATOM 972 HE2 PHE A 96 179.440 185.752 178.634 1.00 64.65 H +ATOM 973 HZ PHE A 96 180.483 185.333 176.613 1.00 66.46 H +ATOM 974 N LYS A 97 182.367 179.959 182.721 1.00 43.28 N +ATOM 975 CA LYS A 97 182.521 179.361 184.043 1.00 42.72 C +ATOM 976 C LYS A 97 183.916 179.570 184.631 1.00 45.57 C +ATOM 977 O LYS A 97 184.060 179.807 185.830 1.00 51.15 O +ATOM 978 CB LYS A 97 182.210 177.866 183.970 1.00 47.50 C +ATOM 979 CG LYS A 97 182.111 177.186 185.320 1.00 56.77 C +ATOM 980 CD LYS A 97 181.867 175.696 185.163 1.00 68.14 C +ATOM 981 CE LYS A 97 181.747 175.006 186.511 1.00 91.82 C +ATOM 982 NZ LYS A 97 182.965 175.196 187.349 1.00 87.87 N +ATOM 983 H LYS A 97 182.168 179.391 182.107 1.00 51.94 H +ATOM 984 HA LYS A 97 181.880 179.769 184.647 1.00 51.26 H +ATOM 985 HB2 LYS A 97 181.361 177.746 183.516 1.00 57.00 H +ATOM 986 HB3 LYS A 97 182.915 177.425 183.469 1.00 57.00 H +ATOM 987 HG2 LYS A 97 182.942 177.309 185.804 1.00 68.12 H +ATOM 988 HG3 LYS A 97 181.370 177.566 185.818 1.00 68.12 H +ATOM 989 HD2 LYS A 97 181.039 175.556 184.676 1.00 81.76 H +ATOM 990 HD3 LYS A 97 182.610 175.298 184.683 1.00 81.76 H +ATOM 991 HE2 LYS A 97 180.990 175.375 186.991 1.00110.19 H +ATOM 992 HE3 LYS A 97 181.623 174.054 186.372 1.00110.19 H +ATOM 993 HZ1 LYS A 97 182.864 174.781 188.130 1.00105.44 H +ATOM 994 HZ2 LYS A 97 183.676 174.859 186.932 1.00105.44 H +ATOM 995 HZ3 LYS A 97 183.099 176.063 187.497 1.00105.44 H +ATOM 996 N GLY A 98 184.939 179.479 183.789 1.00 46.51 N +ATOM 997 CA GLY A 98 186.310 179.635 184.240 1.00 41.55 C +ATOM 998 C GLY A 98 186.586 181.043 184.724 1.00 39.13 C +ATOM 999 O GLY A 98 187.351 181.253 185.664 1.00 38.80 O +ATOM 1000 H GLY A 98 184.862 179.326 182.946 1.00 55.81 H +ATOM 1001 HA2 GLY A 98 186.484 179.018 184.968 1.00 49.86 H +ATOM 1002 HA3 GLY A 98 186.917 179.433 183.511 1.00 49.86 H +ATOM 1003 N PHE A 99 185.952 182.010 184.072 1.00 41.33 N +ATOM 1004 CA PHE A 99 186.113 183.419 184.408 1.00 44.33 C +ATOM 1005 C PHE A 99 185.500 183.737 185.771 1.00 53.01 C +ATOM 1006 O PHE A 99 186.123 184.397 186.604 1.00 49.39 O +ATOM 1007 CB PHE A 99 185.482 184.282 183.310 1.00 44.25 C +ATOM 1008 CG PHE A 99 185.265 185.715 183.701 1.00 42.95 C +ATOM 1009 CD1 PHE A 99 186.274 186.648 183.555 1.00 44.30 C +ATOM 1010 CD2 PHE A 99 184.040 186.133 184.193 1.00 44.28 C +ATOM 1011 CE1 PHE A 99 186.070 187.969 183.906 1.00 46.10 C +ATOM 1012 CE2 PHE A 99 183.832 187.450 184.545 1.00 38.62 C +ATOM 1013 CZ PHE A 99 184.847 188.369 184.401 1.00 42.69 C +ATOM 1014 H PHE A 99 185.412 181.872 183.417 1.00 49.60 H +ATOM 1015 HA PHE A 99 187.059 183.629 184.448 1.00 53.20 H +ATOM 1016 HB2 PHE A 99 186.064 184.273 182.534 1.00 53.10 H +ATOM 1017 HB3 PHE A 99 184.619 183.906 183.077 1.00 53.10 H +ATOM 1018 HD1 PHE A 99 187.101 186.383 183.222 1.00 53.16 H +ATOM 1019 HD2 PHE A 99 183.351 185.517 184.292 1.00 53.14 H +ATOM 1020 HE1 PHE A 99 186.757 188.588 183.809 1.00 55.32 H +ATOM 1021 HE2 PHE A 99 183.006 187.717 184.878 1.00 46.35 H +ATOM 1022 HZ PHE A 99 184.708 189.257 184.638 1.00 51.23 H +ATOM 1023 N TRP A 100 184.282 183.259 186.001 1.00 49.36 N +ATOM 1024 CA TRP A 100 183.598 183.502 187.266 1.00 47.78 C +ATOM 1025 C TRP A 100 184.302 182.822 188.435 1.00 48.81 C +ATOM 1026 O TRP A 100 184.341 183.366 189.536 1.00 47.56 O +ATOM 1027 CB TRP A 100 182.146 183.037 187.181 1.00 34.73 C +ATOM 1028 CG TRP A 100 181.339 183.890 186.267 1.00 34.93 C +ATOM 1029 CD1 TRP A 100 180.736 183.510 185.108 1.00 37.87 C +ATOM 1030 CD2 TRP A 100 181.068 185.286 186.423 1.00 32.80 C +ATOM 1031 NE1 TRP A 100 180.094 184.580 184.535 1.00 38.12 N +ATOM 1032 CE2 TRP A 100 180.285 185.683 185.324 1.00 35.50 C +ATOM 1033 CE3 TRP A 100 181.408 186.237 187.388 1.00 39.14 C +ATOM 1034 CZ2 TRP A 100 179.835 186.988 185.164 1.00 35.25 C +ATOM 1035 CZ3 TRP A 100 180.962 187.531 187.228 1.00 38.12 C +ATOM 1036 CH2 TRP A 100 180.183 187.896 186.124 1.00 36.19 C +ATOM 1037 H TRP A 100 183.829 182.790 185.440 1.00 59.23 H +ATOM 1038 HA TRP A 100 183.593 184.457 187.439 1.00 57.34 H +ATOM 1039 HB2 TRP A 100 182.123 182.127 186.845 1.00 41.67 H +ATOM 1040 HB3 TRP A 100 181.747 183.077 188.064 1.00 41.67 H +ATOM 1041 HD1 TRP A 100 180.752 182.648 184.758 1.00 45.44 H +ATOM 1042 HE1 TRP A 100 179.647 184.561 183.800 1.00 45.74 H +ATOM 1043 HE3 TRP A 100 181.925 186.002 188.124 1.00 46.97 H +ATOM 1044 HZ2 TRP A 100 179.317 187.234 184.432 1.00 42.30 H +ATOM 1045 HZ3 TRP A 100 181.182 188.172 187.864 1.00 45.75 H +ATOM 1046 HH2 TRP A 100 179.896 188.777 186.043 1.00 43.43 H +ATOM 1047 N ASN A 101 184.862 181.640 188.192 1.00 49.77 N +ATOM 1048 CA ASN A 101 185.636 180.936 189.210 1.00 51.44 C +ATOM 1049 C ASN A 101 186.790 181.784 189.738 1.00 55.27 C +ATOM 1050 O ASN A 101 187.123 181.719 190.921 1.00 59.80 O +ATOM 1051 CB ASN A 101 186.176 179.616 188.654 1.00 42.72 C +ATOM 1052 CG ASN A 101 185.229 178.447 188.879 1.00 72.18 C +ATOM 1053 OD1 ASN A 101 184.129 178.612 189.411 1.00 85.12 O +ATOM 1054 ND2 ASN A 101 185.655 177.256 188.469 1.00100.38 N +ATOM 1055 H ASN A 101 184.808 181.223 187.442 1.00 59.72 H +ATOM 1056 HA ASN A 101 185.054 180.728 189.957 1.00 61.72 H +ATOM 1057 HB2 ASN A 101 186.314 179.709 187.698 1.00 51.27 H +ATOM 1058 HB3 ASN A 101 187.016 179.409 189.092 1.00 51.27 H +ATOM 1059 HD21 ASN A 101 185.157 176.562 188.574 1.00120.45 H +ATOM 1060 HD22 ASN A 101 186.428 177.180 188.100 1.00120.45 H +ATOM 1061 N VAL A 102 187.392 182.581 188.862 1.00 50.51 N +ATOM 1062 CA VAL A 102 188.475 183.470 189.264 1.00 47.54 C +ATOM 1063 C VAL A 102 187.916 184.694 189.981 1.00 47.08 C +ATOM 1064 O VAL A 102 188.418 185.083 191.035 1.00 50.08 O +ATOM 1065 CB VAL A 102 189.320 183.914 188.053 1.00 53.82 C +ATOM 1066 CG1 VAL A 102 190.353 184.966 188.461 1.00 44.39 C +ATOM 1067 CG2 VAL A 102 190.008 182.712 187.430 1.00 49.78 C +ATOM 1068 H VAL A 102 187.192 182.626 188.027 1.00 60.62 H +ATOM 1069 HA VAL A 102 189.058 183.000 189.880 1.00 57.04 H +ATOM 1070 HB VAL A 102 188.736 184.308 187.386 1.00 64.58 H +ATOM 1071 HG11 VAL A 102 190.866 185.223 187.680 1.00 53.27 H +ATOM 1072 HG12 VAL A 102 189.891 185.738 188.824 1.00 53.27 H +ATOM 1073 HG13 VAL A 102 190.941 184.586 189.133 1.00 53.27 H +ATOM 1074 HG21 VAL A 102 190.535 183.008 186.671 1.00 59.73 H +ATOM 1075 HG22 VAL A 102 190.585 182.300 188.092 1.00 59.73 H +ATOM 1076 HG23 VAL A 102 189.334 182.079 187.138 1.00 59.73 H +ATOM 1077 N VAL A 103 186.878 185.298 189.408 1.00 52.22 N +ATOM 1078 CA VAL A 103 186.233 186.458 190.017 1.00 57.28 C +ATOM 1079 C VAL A 103 185.764 186.138 191.432 1.00 55.52 C +ATOM 1080 O VAL A 103 185.928 186.947 192.345 1.00 50.98 O +ATOM 1081 CB VAL A 103 185.028 186.943 189.177 1.00 66.81 C +ATOM 1082 CG1 VAL A 103 184.199 187.983 189.945 1.00 61.50 C +ATOM 1083 CG2 VAL A 103 185.505 187.518 187.853 1.00 57.30 C +ATOM 1084 H VAL A 103 186.526 185.053 188.662 1.00 62.66 H +ATOM 1085 HA VAL A 103 186.874 187.184 190.070 1.00 68.73 H +ATOM 1086 HB VAL A 103 184.453 186.186 188.985 1.00 80.18 H +ATOM 1087 HG11 VAL A 103 183.454 188.264 189.390 1.00 73.80 H +ATOM 1088 HG12 VAL A 103 183.869 187.582 190.764 1.00 73.80 H +ATOM 1089 HG13 VAL A 103 184.763 188.744 190.152 1.00 73.80 H +ATOM 1090 HG21 VAL A 103 184.735 187.815 187.343 1.00 68.76 H +ATOM 1091 HG22 VAL A 103 186.095 188.267 188.028 1.00 68.76 H +ATOM 1092 HG23 VAL A 103 185.980 186.828 187.363 1.00 68.76 H +ATOM 1093 N ASN A 104 185.182 184.956 191.608 1.00 49.38 N +ATOM 1094 CA ASN A 104 184.672 184.542 192.910 1.00 44.80 C +ATOM 1095 C ASN A 104 185.762 184.514 193.975 1.00 42.57 C +ATOM 1096 O ASN A 104 185.484 184.692 195.158 1.00 50.56 O +ATOM 1097 CB ASN A 104 184.017 183.163 192.815 1.00 39.39 C +ATOM 1098 CG ASN A 104 182.749 183.174 191.985 1.00 38.13 C +ATOM 1099 OD1 ASN A 104 182.097 184.206 191.834 1.00 38.39 O +ATOM 1100 ND2 ASN A 104 182.392 182.016 191.441 1.00 35.27 N +ATOM 1101 H ASN A 104 185.069 184.373 190.986 1.00 59.26 H +ATOM 1102 HA ASN A 104 183.994 185.174 193.196 1.00 53.75 H +ATOM 1103 HB2 ASN A 104 184.640 182.544 192.404 1.00 47.27 H +ATOM 1104 HB3 ASN A 104 183.788 182.859 193.708 1.00 47.27 H +ATOM 1105 HD21 ASN A 104 181.680 181.968 190.960 1.00 42.33 H +ATOM 1106 HD22 ASN A 104 182.872 181.314 191.569 1.00 42.33 H +ATOM 1107 N ASN A 105 187.003 184.296 193.547 1.00 47.22 N +ATOM 1108 CA ASN A 105 188.137 184.213 194.464 1.00 45.31 C +ATOM 1109 C ASN A 105 188.903 185.529 194.587 1.00 43.96 C +ATOM 1110 O ASN A 105 189.951 185.582 195.229 1.00 45.98 O +ATOM 1111 CB ASN A 105 189.089 183.101 194.022 1.00 45.36 C +ATOM 1112 CG ASN A 105 188.557 181.721 194.347 1.00 51.47 C +ATOM 1113 OD1 ASN A 105 188.665 181.255 195.480 1.00 72.24 O +ATOM 1114 ND2 ASN A 105 187.973 181.062 193.356 1.00 65.75 N +ATOM 1115 H ASN A 105 187.216 184.192 192.720 1.00 56.66 H +ATOM 1116 HA ASN A 105 187.806 183.983 195.346 1.00 54.37 H +ATOM 1117 HB2 ASN A 105 189.216 183.156 193.062 1.00 54.43 H +ATOM 1118 HB3 ASN A 105 189.938 183.211 194.477 1.00 54.43 H +ATOM 1119 HD21 ASN A 105 187.655 180.275 193.491 1.00 78.90 H +ATOM 1120 HD22 ASN A 105 187.912 181.422 192.577 1.00 78.90 H +ATOM 1121 N ILE A 105A 188.378 186.582 193.970 1.00 43.09 N +ATOM 1122 CA ILE A 105A 188.917 187.929 194.130 1.00 48.92 C +ATOM 1123 C ILE A 105A 187.902 188.749 194.930 1.00 51.40 C +ATOM 1124 O ILE A 105A 186.985 189.325 194.349 1.00 47.96 O +ATOM 1125 CB ILE A 105A 189.200 188.602 192.774 1.00 57.97 C +ATOM 1126 CG1 ILE A 105A 190.186 187.758 191.964 1.00 52.76 C +ATOM 1127 CG2 ILE A 105A 189.767 190.005 192.982 1.00 42.50 C +ATOM 1128 CD1 ILE A 105A 190.384 188.227 190.535 1.00 52.18 C +ATOM 1129 H ILE A 105A 187.697 186.543 193.446 1.00 51.71 H +ATOM 1130 HA ILE A 105A 189.746 187.889 194.632 1.00 58.70 H +ATOM 1131 HB ILE A 105A 188.368 188.672 192.280 1.00 69.56 H +ATOM 1132 HG12 ILE A 105A 191.050 187.780 192.405 1.00 63.31 H +ATOM 1133 HG13 ILE A 105A 189.859 186.845 191.932 1.00 63.31 H +ATOM 1134 HG21 ILE A 105A 189.936 190.408 192.116 1.00 51.00 H +ATOM 1135 HG22 ILE A 105A 189.121 190.536 193.474 1.00 51.00 H +ATOM 1136 HG23 ILE A 105A 190.594 189.940 193.485 1.00 51.00 H +ATOM 1137 HD11 ILE A 105A 191.020 187.641 190.096 1.00 62.61 H +ATOM 1138 HD12 ILE A 105A 189.532 188.199 190.072 1.00 62.61 H +ATOM 1139 HD13 ILE A 105A 190.725 189.136 190.546 1.00 62.61 H +ATOM 1140 N PRO A 106 188.058 188.795 196.269 1.00 47.42 N +ATOM 1141 CA PRO A 106 187.063 189.428 197.146 1.00 49.25 C +ATOM 1142 C PRO A 106 186.672 190.821 196.682 1.00 50.21 C +ATOM 1143 O PRO A 106 185.503 191.194 196.753 1.00 52.97 O +ATOM 1144 CB PRO A 106 187.778 189.489 198.499 1.00 47.21 C +ATOM 1145 CG PRO A 106 188.766 188.394 198.449 1.00 43.23 C +ATOM 1146 CD PRO A 106 189.231 188.335 197.033 1.00 44.39 C +ATOM 1147 HA PRO A 106 186.271 188.873 197.221 1.00 59.10 H +ATOM 1148 HB2 PRO A 106 188.220 190.347 198.598 1.00 56.65 H +ATOM 1149 HB3 PRO A 106 187.140 189.344 199.214 1.00 56.65 H +ATOM 1150 HG2 PRO A 106 189.505 188.596 199.043 1.00 51.88 H +ATOM 1151 HG3 PRO A 106 188.341 187.561 198.703 1.00 51.88 H +ATOM 1152 HD2 PRO A 106 189.980 188.937 196.898 1.00 53.27 H +ATOM 1153 HD3 PRO A 106 189.458 187.424 196.789 1.00 53.27 H +ATOM 1154 N PHE A 107 187.656 191.570 196.202 1.00 56.20 N +ATOM 1155 CA PHE A 107 187.437 192.916 195.697 1.00 50.47 C +ATOM 1156 C PHE A 107 186.399 192.947 194.577 1.00 45.89 C +ATOM 1157 O PHE A 107 185.479 193.765 194.598 1.00 49.75 O +ATOM 1158 CB PHE A 107 188.761 193.500 195.202 1.00 60.94 C +ATOM 1159 CG PHE A 107 188.611 194.772 194.428 1.00 61.27 C +ATOM 1160 CD1 PHE A 107 188.301 195.957 195.072 1.00 77.28 C +ATOM 1161 CD2 PHE A 107 188.789 194.786 193.057 1.00 63.27 C +ATOM 1162 CE1 PHE A 107 188.163 197.133 194.359 1.00 77.57 C +ATOM 1163 CE2 PHE A 107 188.654 195.957 192.339 1.00 71.68 C +ATOM 1164 CZ PHE A 107 188.341 197.133 192.991 1.00 79.04 C +ATOM 1165 H PHE A 107 188.476 191.315 196.158 1.00 67.44 H +ATOM 1166 HA PHE A 107 187.114 193.475 196.420 1.00 60.57 H +ATOM 1167 HB2 PHE A 107 189.326 193.685 195.969 1.00 73.13 H +ATOM 1168 HB3 PHE A 107 189.192 192.851 194.625 1.00 73.13 H +ATOM 1169 HD1 PHE A 107 188.179 195.961 195.994 1.00 92.73 H +ATOM 1170 HD2 PHE A 107 189.000 193.996 192.613 1.00 75.93 H +ATOM 1171 HE1 PHE A 107 187.953 197.924 194.801 1.00 93.08 H +ATOM 1172 HE2 PHE A 107 188.775 195.954 191.417 1.00 86.02 H +ATOM 1173 HZ PHE A 107 188.250 197.923 192.509 1.00 94.84 H +ATOM 1174 N LEU A 108 186.546 192.057 193.601 1.00 52.54 N +ATOM 1175 CA LEU A 108 185.644 192.026 192.454 1.00 55.80 C +ATOM 1176 C LEU A 108 184.286 191.436 192.813 1.00 46.98 C +ATOM 1177 O LEU A 108 183.251 191.954 192.396 1.00 41.83 O +ATOM 1178 CB LEU A 108 186.257 191.225 191.306 1.00 54.76 C +ATOM 1179 CG LEU A 108 187.559 191.754 190.704 1.00 63.09 C +ATOM 1180 CD1 LEU A 108 187.992 190.855 189.561 1.00 78.18 C +ATOM 1181 CD2 LEU A 108 187.411 193.194 190.230 1.00 53.41 C +ATOM 1182 H LEU A 108 187.162 191.458 193.579 1.00 63.04 H +ATOM 1183 HA LEU A 108 185.501 192.933 192.142 1.00 66.96 H +ATOM 1184 HB2 LEU A 108 186.436 190.327 191.627 1.00 65.71 H +ATOM 1185 HB3 LEU A 108 185.607 191.183 190.587 1.00 65.71 H +ATOM 1186 HG LEU A 108 188.252 191.732 191.382 1.00 75.71 H +ATOM 1187 HD11 LEU A 108 188.818 191.198 189.185 1.00 93.81 H +ATOM 1188 HD12 LEU A 108 188.131 189.957 189.900 1.00 93.81 H +ATOM 1189 HD13 LEU A 108 187.298 190.849 188.883 1.00 93.81 H +ATOM 1190 HD21 LEU A 108 188.256 193.491 189.856 1.00 64.09 H +ATOM 1191 HD22 LEU A 108 186.718 193.233 189.553 1.00 64.09 H +ATOM 1192 HD23 LEU A 108 187.169 193.752 190.985 1.00 64.09 H +ATOM 1193 N ARG A 109 184.299 190.345 193.571 1.00 45.76 N +ATOM 1194 CA ARG A 109 183.065 189.688 193.986 1.00 45.96 C +ATOM 1195 C ARG A 109 182.166 190.656 194.748 1.00 47.88 C +ATOM 1196 O ARG A 109 180.970 190.749 194.477 1.00 38.52 O +ATOM 1197 CB ARG A 109 183.370 188.469 194.856 1.00 46.27 C +ATOM 1198 CG ARG A 109 182.155 187.600 195.148 1.00 46.14 C +ATOM 1199 CD ARG A 109 182.371 186.746 196.381 1.00 57.27 C +ATOM 1200 NE ARG A 109 181.247 185.851 196.631 1.00 50.05 N +ATOM 1201 CZ ARG A 109 181.144 185.055 197.690 1.00 49.33 C +ATOM 1202 NH1 ARG A 109 182.100 185.044 198.610 1.00 47.14 N +ATOM 1203 NH2 ARG A 109 180.085 184.272 197.833 1.00 48.79 N +ATOM 1204 H ARG A 109 185.013 189.963 193.860 1.00 54.91 H +ATOM 1205 HA ARG A 109 182.585 189.386 193.199 1.00 55.15 H +ATOM 1206 HB2 ARG A 109 184.026 187.917 194.401 1.00 55.52 H +ATOM 1207 HB3 ARG A 109 183.728 188.772 195.705 1.00 55.52 H +ATOM 1208 HG2 ARG A 109 181.384 188.168 195.302 1.00 55.36 H +ATOM 1209 HG3 ARG A 109 181.993 187.011 194.395 1.00 55.36 H +ATOM 1210 HD2 ARG A 109 183.167 186.206 196.259 1.00 68.73 H +ATOM 1211 HD3 ARG A 109 182.474 187.323 197.154 1.00 68.73 H +ATOM 1212 HE ARG A 109 180.609 185.836 196.054 1.00 60.07 H +ATOM 1213 HH11 ARG A 109 182.789 185.551 198.520 1.00 56.57 H +ATOM 1214 HH12 ARG A 109 182.032 184.529 199.295 1.00 56.57 H +ATOM 1215 HH21 ARG A 109 179.463 184.278 197.240 1.00 58.55 H +ATOM 1216 HH22 ARG A 109 180.020 183.759 198.520 1.00 58.55 H +ATOM 1217 N ASN A 110 182.757 191.379 195.696 1.00 45.56 N +ATOM 1218 CA ASN A 110 182.022 192.336 196.513 1.00 41.51 C +ATOM 1219 C ASN A 110 181.409 193.459 195.686 1.00 48.19 C +ATOM 1220 O ASN A 110 180.238 193.795 195.857 1.00 47.13 O +ATOM 1221 CB ASN A 110 182.937 192.931 197.584 1.00 35.36 C +ATOM 1222 CG ASN A 110 183.341 191.916 198.630 1.00 32.03 C +ATOM 1223 OD1 ASN A 110 182.793 190.817 198.685 1.00 41.22 O +ATOM 1224 ND2 ASN A 110 184.299 192.282 199.471 1.00 33.29 N +ATOM 1225 H ASN A 110 183.595 191.331 195.887 1.00 54.67 H +ATOM 1226 HA ASN A 110 181.299 191.872 196.963 1.00 49.82 H +ATOM 1227 HB2 ASN A 110 183.744 193.264 197.162 1.00 42.43 H +ATOM 1228 HB3 ASN A 110 182.472 193.655 198.032 1.00 42.43 H +ATOM 1229 HD21 ASN A 110 184.563 191.740 200.084 1.00 39.95 H +ATOM 1230 HD22 ASN A 110 184.656 193.062 199.404 1.00 39.95 H +ATOM 1231 N ALA A 111 182.207 194.037 194.795 1.00 44.35 N +ATOM 1232 CA ALA A 111 181.745 195.124 193.940 1.00 39.17 C +ATOM 1233 C ALA A 111 180.573 194.672 193.079 1.00 42.06 C +ATOM 1234 O ALA A 111 179.606 195.409 192.896 1.00 43.48 O +ATOM 1235 CB ALA A 111 182.880 195.630 193.065 1.00 41.19 C +ATOM 1236 H ALA A 111 183.028 193.816 194.665 1.00 53.22 H +ATOM 1237 HA ALA A 111 181.444 195.859 194.497 1.00 47.01 H +ATOM 1238 HB1 ALA A 111 182.549 196.351 192.506 1.00 49.43 H +ATOM 1239 HB2 ALA A 111 183.597 195.952 193.633 1.00 49.43 H +ATOM 1240 HB3 ALA A 111 183.199 194.901 192.510 1.00 49.43 H +ATOM 1241 N ILE A 112 180.666 193.455 192.557 1.00 40.84 N +ATOM 1242 CA ILE A 112 179.616 192.902 191.712 1.00 43.72 C +ATOM 1243 C ILE A 112 178.352 192.642 192.520 1.00 44.88 C +ATOM 1244 O ILE A 112 177.261 193.043 192.118 1.00 43.43 O +ATOM 1245 CB ILE A 112 180.079 191.598 191.027 1.00 47.90 C +ATOM 1246 CG1 ILE A 112 181.104 191.928 189.935 1.00 48.34 C +ATOM 1247 CG2 ILE A 112 178.891 190.837 190.422 1.00 33.32 C +ATOM 1248 CD1 ILE A 112 181.748 190.718 189.296 1.00 48.76 C +ATOM 1249 H ILE A 112 181.332 192.925 192.678 1.00 49.01 H +ATOM 1250 HA ILE A 112 179.400 193.544 191.018 1.00 52.47 H +ATOM 1251 HB ILE A 112 180.504 191.032 191.691 1.00 57.48 H +ATOM 1252 HG12 ILE A 112 180.660 192.430 189.234 1.00 58.01 H +ATOM 1253 HG13 ILE A 112 181.810 192.466 190.325 1.00 58.01 H +ATOM 1254 HG21 ILE A 112 179.218 190.027 190.002 1.00 39.98 H +ATOM 1255 HG22 ILE A 112 178.266 190.615 191.130 1.00 39.98 H +ATOM 1256 HG23 ILE A 112 178.458 191.402 189.763 1.00 39.98 H +ATOM 1257 HD11 ILE A 112 182.378 191.016 188.621 1.00 58.51 H +ATOM 1258 HD12 ILE A 112 182.210 190.209 189.979 1.00 58.51 H +ATOM 1259 HD13 ILE A 112 181.058 190.173 188.886 1.00 58.51 H +ATOM 1260 N MET A 113 178.500 191.964 193.653 1.00 44.15 N +ATOM 1261 CA MET A 113 177.358 191.653 194.499 1.00 45.95 C +ATOM 1262 C MET A 113 176.681 192.938 194.956 1.00 42.90 C +ATOM 1263 O MET A 113 175.455 193.038 194.956 1.00 34.52 O +ATOM 1264 CB MET A 113 177.788 190.822 195.709 1.00 42.78 C +ATOM 1265 CG MET A 113 176.621 190.300 196.528 1.00 40.92 C +ATOM 1266 SD MET A 113 175.575 189.161 195.598 1.00 33.24 S +ATOM 1267 CE MET A 113 173.964 189.587 196.247 1.00 31.64 C +ATOM 1268 H MET A 113 179.252 191.673 193.953 1.00 52.97 H +ATOM 1269 HA MET A 113 176.723 191.127 193.988 1.00 55.15 H +ATOM 1270 HB2 MET A 113 178.299 190.058 195.400 1.00 51.33 H +ATOM 1271 HB3 MET A 113 178.336 191.373 196.289 1.00 51.33 H +ATOM 1272 HG2 MET A 113 176.964 189.829 197.303 1.00 49.11 H +ATOM 1273 HG3 MET A 113 176.073 191.049 196.811 1.00 49.11 H +ATOM 1274 HE1 MET A 113 173.294 189.032 195.818 1.00 37.97 H +ATOM 1275 HE2 MET A 113 173.958 189.432 197.205 1.00 37.97 H +ATOM 1276 HE3 MET A 113 173.787 190.523 196.062 1.00 37.97 H +ATOM 1277 N SER A 114 177.492 193.920 195.334 1.00 39.76 N +ATOM 1278 CA SER A 114 176.992 195.221 195.759 1.00 39.26 C +ATOM 1279 C SER A 114 176.091 195.841 194.694 1.00 45.28 C +ATOM 1280 O SER A 114 175.023 196.368 195.006 1.00 43.81 O +ATOM 1281 CB SER A 114 178.159 196.159 196.069 1.00 44.44 C +ATOM 1282 OG SER A 114 177.698 197.397 196.583 1.00 51.42 O +ATOM 1283 H SER A 114 178.349 193.856 195.353 1.00 47.71 H +ATOM 1284 HA SER A 114 176.469 195.111 196.569 1.00 47.11 H +ATOM 1285 HB2 SER A 114 178.733 195.740 196.728 1.00 53.33 H +ATOM 1286 HB3 SER A 114 178.656 196.323 195.253 1.00 53.33 H +ATOM 1287 HG SER A 114 178.350 197.900 196.748 1.00 61.70 H +ATOM 1288 N TYR A 115 176.523 195.766 193.439 1.00 43.02 N +ATOM 1289 CA TYR A 115 175.755 196.327 192.334 1.00 46.18 C +ATOM 1290 C TYR A 115 174.444 195.578 192.119 1.00 47.05 C +ATOM 1291 O TYR A 115 173.408 196.194 191.859 1.00 39.56 O +ATOM 1292 CB TYR A 115 176.571 196.307 191.042 1.00 48.22 C +ATOM 1293 CG TYR A 115 175.756 196.688 189.829 1.00 47.07 C +ATOM 1294 CD1 TYR A 115 175.495 198.019 189.536 1.00 48.66 C +ATOM 1295 CD2 TYR A 115 175.234 195.717 188.985 1.00 46.04 C +ATOM 1296 CE1 TYR A 115 174.745 198.373 188.435 1.00 51.20 C +ATOM 1297 CE2 TYR A 115 174.483 196.062 187.881 1.00 47.57 C +ATOM 1298 CZ TYR A 115 174.242 197.391 187.611 1.00 51.64 C +ATOM 1299 OH TYR A 115 173.494 197.744 186.511 1.00 92.35 O +ATOM 1300 H TYR A 115 177.260 195.393 193.201 1.00 51.62 H +ATOM 1301 HA TYR A 115 175.541 197.251 192.537 1.00 55.41 H +ATOM 1302 HB2 TYR A 115 177.303 196.937 191.121 1.00 57.87 H +ATOM 1303 HB3 TYR A 115 176.917 195.412 190.901 1.00 57.87 H +ATOM 1304 HD1 TYR A 115 175.834 198.684 190.091 1.00 58.40 H +ATOM 1305 HD2 TYR A 115 175.395 194.819 189.166 1.00 55.25 H +ATOM 1306 HE1 TYR A 115 174.581 199.269 188.249 1.00 61.44 H +ATOM 1307 HE2 TYR A 115 174.141 195.401 187.322 1.00 57.09 H +ATOM 1308 HH TYR A 115 173.250 197.055 186.097 1.00110.82 H +ATOM 1309 N VAL A 116 174.499 194.251 192.206 1.00 42.79 N +ATOM 1310 CA VAL A 116 173.302 193.423 192.107 1.00 40.20 C +ATOM 1311 C VAL A 116 172.264 193.897 193.114 1.00 36.20 C +ATOM 1312 O VAL A 116 171.107 194.110 192.768 1.00 37.00 O +ATOM 1313 CB VAL A 116 173.619 191.924 192.350 1.00 35.82 C +ATOM 1314 CG1 VAL A 116 172.337 191.103 192.515 1.00 34.55 C +ATOM 1315 CG2 VAL A 116 174.453 191.370 191.212 1.00 35.90 C +ATOM 1316 H VAL A 116 175.224 193.804 192.323 1.00 51.34 H +ATOM 1317 HA VAL A 116 172.925 193.513 191.218 1.00 48.24 H +ATOM 1318 HB VAL A 116 174.136 191.840 193.167 1.00 42.98 H +ATOM 1319 HG11 VAL A 116 172.575 190.174 192.665 1.00 41.46 H +ATOM 1320 HG12 VAL A 116 171.840 191.444 193.275 1.00 41.46 H +ATOM 1321 HG13 VAL A 116 171.805 191.183 191.709 1.00 41.46 H +ATOM 1322 HG21 VAL A 116 174.638 190.434 191.384 1.00 43.09 H +ATOM 1323 HG22 VAL A 116 173.956 191.462 190.383 1.00 43.09 H +ATOM 1324 HG23 VAL A 116 175.283 191.868 191.158 1.00 43.09 H +ATOM 1325 N LEU A 117 172.687 194.071 194.361 1.00 39.47 N +ATOM 1326 CA LEU A 117 171.780 194.480 195.426 1.00 41.65 C +ATOM 1327 C LEU A 117 171.201 195.870 195.184 1.00 41.43 C +ATOM 1328 O LEU A 117 169.986 196.057 195.240 1.00 46.19 O +ATOM 1329 CB LEU A 117 172.493 194.448 196.777 1.00 34.77 C +ATOM 1330 CG LEU A 117 173.005 193.083 197.239 1.00 40.78 C +ATOM 1331 CD1 LEU A 117 173.802 193.224 198.522 1.00 28.52 C +ATOM 1332 CD2 LEU A 117 171.859 192.107 197.424 1.00 31.69 C +ATOM 1333 H LEU A 117 173.500 193.958 194.618 1.00 47.37 H +ATOM 1334 HA LEU A 117 171.040 193.853 195.465 1.00 49.98 H +ATOM 1335 HB2 LEU A 117 173.257 195.043 196.732 1.00 41.73 H +ATOM 1336 HB3 LEU A 117 171.876 194.769 197.454 1.00 41.73 H +ATOM 1337 HG LEU A 117 173.597 192.723 196.560 1.00 48.93 H +ATOM 1338 HD11 LEU A 117 174.116 192.348 198.796 1.00 34.22 H +ATOM 1339 HD12 LEU A 117 174.556 193.812 198.362 1.00 34.22 H +ATOM 1340 HD13 LEU A 117 173.229 193.600 199.209 1.00 34.22 H +ATOM 1341 HD21 LEU A 117 172.216 191.254 197.716 1.00 38.03 H +ATOM 1342 HD22 LEU A 117 171.251 192.459 198.092 1.00 38.03 H +ATOM 1343 HD23 LEU A 117 171.397 192.001 196.578 1.00 38.03 H +ATOM 1344 N THR A 118 172.069 196.841 194.918 1.00 40.14 N +ATOM 1345 CA THR A 118 171.632 198.222 194.750 1.00 43.77 C +ATOM 1346 C THR A 118 170.772 198.397 193.501 1.00 49.64 C +ATOM 1347 O THR A 118 169.738 199.060 193.547 1.00 44.84 O +ATOM 1348 CB THR A 118 172.829 199.193 194.671 1.00 44.22 C +ATOM 1349 OG1 THR A 118 173.750 198.749 193.667 1.00 46.44 O +ATOM 1350 CG2 THR A 118 173.542 199.275 196.014 1.00 49.74 C +ATOM 1351 H THR A 118 172.916 196.726 194.830 1.00 48.17 H +ATOM 1352 HA THR A 118 171.095 198.475 195.518 1.00 52.53 H +ATOM 1353 HB THR A 118 172.507 200.079 194.443 1.00 53.07 H +ATOM 1354 HG1 THR A 118 174.033 197.981 193.855 1.00 55.73 H +ATOM 1355 HG21 THR A 118 174.292 199.888 195.954 1.00 59.69 H +ATOM 1356 HG22 THR A 118 172.929 199.593 196.696 1.00 59.69 H +ATOM 1357 HG23 THR A 118 173.870 198.399 196.269 1.00 59.69 H +ATOM 1358 N SER A 119 171.194 197.797 192.392 1.00 41.83 N +ATOM 1359 CA SER A 119 170.491 197.975 191.125 1.00 46.45 C +ATOM 1360 C SER A 119 169.088 197.365 191.165 1.00 47.15 C +ATOM 1361 O SER A 119 168.120 198.001 190.751 1.00 43.51 O +ATOM 1362 CB SER A 119 171.297 197.369 189.970 1.00 41.60 C +ATOM 1363 OG SER A 119 171.302 195.954 190.018 1.00 42.39 O +ATOM 1364 H SER A 119 171.882 197.284 192.346 1.00 50.20 H +ATOM 1365 HA SER A 119 170.395 198.924 190.952 1.00 55.73 H +ATOM 1366 HB2 SER A 119 170.902 197.652 189.131 1.00 49.92 H +ATOM 1367 HB3 SER A 119 172.212 197.687 190.027 1.00 49.92 H +ATOM 1368 HG SER A 119 171.645 195.692 190.739 1.00 50.87 H +ATOM 1369 N ARG A 120 168.974 196.141 191.670 1.00 44.62 N +ATOM 1370 CA ARG A 120 167.678 195.467 191.729 1.00 52.87 C +ATOM 1371 C ARG A 120 166.743 196.125 192.747 1.00 53.50 C +ATOM 1372 O ARG A 120 165.523 196.068 192.599 1.00 54.32 O +ATOM 1373 CB ARG A 120 167.850 193.985 192.074 1.00 44.43 C +ATOM 1374 CG ARG A 120 168.817 193.222 191.177 1.00 56.06 C +ATOM 1375 CD ARG A 120 168.119 192.397 190.105 1.00 63.61 C +ATOM 1376 NE ARG A 120 169.057 191.476 189.465 1.00 82.60 N +ATOM 1377 CZ ARG A 120 168.734 190.601 188.518 1.00 66.35 C +ATOM 1378 NH1 ARG A 120 167.486 190.512 188.080 1.00 61.03 N +ATOM 1379 NH2 ARG A 120 169.668 189.809 188.007 1.00 72.16 N +ATOM 1380 H ARG A 120 169.628 195.679 191.983 1.00 53.55 H +ATOM 1381 HA ARG A 120 167.256 195.523 190.857 1.00 63.44 H +ATOM 1382 HB2 ARG A 120 168.178 193.916 192.984 1.00 53.32 H +ATOM 1383 HB3 ARG A 120 166.985 193.551 192.008 1.00 53.32 H +ATOM 1384 HG2 ARG A 120 169.401 193.856 190.733 1.00 67.28 H +ATOM 1385 HG3 ARG A 120 169.342 192.617 191.724 1.00 67.28 H +ATOM 1386 HD2 ARG A 120 167.408 191.877 190.511 1.00 76.33 H +ATOM 1387 HD3 ARG A 120 167.760 192.990 189.426 1.00 76.33 H +ATOM 1388 HE ARG A 120 169.878 191.503 189.719 1.00 99.12 H +ATOM 1389 HH11 ARG A 120 166.877 191.023 188.410 1.00 73.24 H +ATOM 1390 HH12 ARG A 120 167.284 189.944 187.467 1.00 73.24 H +ATOM 1391 HH21 ARG A 120 170.479 189.864 188.288 1.00 86.59 H +ATOM 1392 HH22 ARG A 120 169.462 189.243 187.394 1.00 86.59 H +ATOM 1393 N SER A 121 167.311 196.754 193.772 1.00 54.63 N +ATOM 1394 CA SER A 121 166.512 197.321 194.859 1.00 56.79 C +ATOM 1395 C SER A 121 165.853 198.647 194.484 1.00 58.03 C +ATOM 1396 O SER A 121 164.794 198.985 195.010 1.00 54.36 O +ATOM 1397 CB SER A 121 167.372 197.514 196.107 1.00 49.95 C +ATOM 1398 OG SER A 121 167.834 196.269 196.598 1.00 49.65 O +ATOM 1399 H SER A 121 168.158 196.867 193.864 1.00 65.55 H +ATOM 1400 HA SER A 121 165.805 196.695 195.083 1.00 68.15 H +ATOM 1401 HB2 SER A 121 168.137 198.067 195.881 1.00 59.94 H +ATOM 1402 HB3 SER A 121 166.841 197.947 196.794 1.00 59.94 H +ATOM 1403 HG SER A 121 168.296 195.883 196.012 1.00 59.58 H +ATOM 1404 N HIS A 122 166.478 199.392 193.576 1.00 57.08 N +ATOM 1405 CA HIS A 122 165.929 200.663 193.106 1.00 57.40 C +ATOM 1406 C HIS A 122 164.562 200.492 192.441 1.00 55.20 C +ATOM 1407 O HIS A 122 163.848 201.470 192.222 1.00 48.45 O +ATOM 1408 CB HIS A 122 166.893 201.331 192.121 1.00 60.51 C +ATOM 1409 CG HIS A 122 168.095 201.949 192.767 1.00 69.87 C +ATOM 1410 ND1 HIS A 122 168.053 202.535 194.014 1.00 76.52 N +ATOM 1411 CD2 HIS A 122 169.372 202.077 192.335 1.00 72.28 C +ATOM 1412 CE1 HIS A 122 169.252 202.995 194.323 1.00 72.32 C +ATOM 1413 NE2 HIS A 122 170.071 202.729 193.322 1.00 72.90 N +ATOM 1414 H HIS A 122 167.229 199.182 193.213 1.00 68.50 H +ATOM 1415 HA HIS A 122 165.819 201.257 193.865 1.00 68.88 H +ATOM 1416 HB2 HIS A 122 167.207 200.663 191.491 1.00 72.61 H +ATOM 1417 HB3 HIS A 122 166.419 202.031 191.647 1.00 72.61 H +ATOM 1418 HD2 HIS A 122 169.713 201.778 191.523 1.00 86.73 H +ATOM 1419 HE1 HIS A 122 169.481 203.431 195.112 1.00 86.78 H +ATOM 1420 HE2 HIS A 122 170.906 202.932 193.292 1.00 87.48 H +ATOM 1421 N LEU A 123 164.205 199.252 192.117 1.00 48.91 N +ATOM 1422 CA LEU A 123 162.946 198.966 191.437 1.00 40.45 C +ATOM 1423 C LEU A 123 161.775 198.808 192.406 1.00 36.10 C +ATOM 1424 O LEU A 123 160.627 198.704 191.977 1.00 38.81 O +ATOM 1425 CB LEU A 123 163.086 197.703 190.586 1.00 47.37 C +ATOM 1426 CG LEU A 123 163.911 197.849 189.304 1.00 42.37 C +ATOM 1427 CD1 LEU A 123 164.207 196.489 188.708 1.00 38.37 C +ATOM 1428 CD2 LEU A 123 163.187 198.723 188.294 1.00 53.55 C +ATOM 1429 H LEU A 123 164.680 198.554 192.281 1.00 58.69 H +ATOM 1430 HA LEU A 123 162.739 199.703 190.842 1.00 48.54 H +ATOM 1431 HB2 LEU A 123 163.508 197.017 191.125 1.00 56.85 H +ATOM 1432 HB3 LEU A 123 162.198 197.410 190.327 1.00 56.85 H +ATOM 1433 HG LEU A 123 164.756 198.274 189.519 1.00 50.85 H +ATOM 1434 HD11 LEU A 123 164.729 196.607 187.899 1.00 46.04 H +ATOM 1435 HD12 LEU A 123 164.708 195.965 189.352 1.00 46.04 H +ATOM 1436 HD13 LEU A 123 163.370 196.047 188.500 1.00 46.04 H +ATOM 1437 HD21 LEU A 123 163.732 198.798 187.495 1.00 64.26 H +ATOM 1438 HD22 LEU A 123 162.335 198.315 188.077 1.00 64.26 H +ATOM 1439 HD23 LEU A 123 163.045 199.601 188.681 1.00 64.26 H +ATOM 1440 N ILE A 124 162.064 198.786 193.703 1.00 41.08 N +ATOM 1441 CA ILE A 124 161.021 198.709 194.723 1.00 35.51 C +ATOM 1442 C ILE A 124 160.879 200.033 195.454 1.00 30.07 C +ATOM 1443 O ILE A 124 161.866 200.623 195.890 1.00 30.98 O +ATOM 1444 CB ILE A 124 161.308 197.605 195.757 1.00 27.73 C +ATOM 1445 CG1 ILE A 124 161.536 196.260 195.060 1.00 30.32 C +ATOM 1446 CG2 ILE A 124 160.163 197.499 196.758 1.00 35.81 C +ATOM 1447 CD1 ILE A 124 160.407 195.834 194.142 1.00 29.92 C +ATOM 1448 H ILE A 124 162.862 198.814 194.022 1.00 49.30 H +ATOM 1449 HA ILE A 124 160.173 198.509 194.295 1.00 42.61 H +ATOM 1450 HB ILE A 124 162.116 197.840 196.240 1.00 33.27 H +ATOM 1451 HG12 ILE A 124 162.344 196.319 194.527 1.00 36.39 H +ATOM 1452 HG13 ILE A 124 161.640 195.573 195.737 1.00 36.39 H +ATOM 1453 HG21 ILE A 124 160.366 196.799 197.398 1.00 42.97 H +ATOM 1454 HG22 ILE A 124 160.066 198.349 197.217 1.00 42.97 H +ATOM 1455 HG23 ILE A 124 159.346 197.285 196.282 1.00 42.97 H +ATOM 1456 HD11 ILE A 124 160.630 194.978 193.744 1.00 35.90 H +ATOM 1457 HD12 ILE A 124 159.591 195.756 194.661 1.00 35.90 H +ATOM 1458 HD13 ILE A 124 160.296 196.503 193.448 1.00 35.90 H +ATOM 1459 N ASP A 125 159.641 200.496 195.587 1.00 29.40 N +ATOM 1460 CA ASP A 125 159.359 201.673 196.392 1.00 32.92 C +ATOM 1461 C ASP A 125 159.410 201.298 197.867 1.00 35.07 C +ATOM 1462 O ASP A 125 158.715 200.386 198.310 1.00 32.42 O +ATOM 1463 CB ASP A 125 157.994 202.269 196.034 1.00 44.86 C +ATOM 1464 CG ASP A 125 157.982 202.940 194.667 1.00 53.41 C +ATOM 1465 OD1 ASP A 125 159.058 203.373 194.197 1.00 44.31 O +ATOM 1466 OD2 ASP A 125 156.893 203.039 194.065 1.00 65.70 O +ATOM 1467 H ASP A 125 158.948 200.144 195.219 1.00 35.28 H +ATOM 1468 HA ASP A 125 160.038 202.345 196.225 1.00 39.51 H +ATOM 1469 HB2 ASP A 125 157.332 201.560 196.025 1.00 53.83 H +ATOM 1470 HB3 ASP A 125 157.757 202.936 196.697 1.00 53.83 H +ATOM 1471 N SER A 126 160.246 202.008 198.614 1.00 29.79 N +ATOM 1472 CA SER A 126 160.407 201.776 200.040 1.00 25.94 C +ATOM 1473 C SER A 126 160.717 203.101 200.739 1.00 27.30 C +ATOM 1474 O SER A 126 161.754 203.705 200.476 1.00 31.46 O +ATOM 1475 CB SER A 126 161.517 200.758 200.295 1.00 29.20 C +ATOM 1476 OG SER A 126 161.684 200.528 201.682 1.00 32.14 O +ATOM 1477 H SER A 126 160.740 202.643 198.310 1.00 35.75 H +ATOM 1478 HA SER A 126 159.580 201.424 200.404 1.00 31.12 H +ATOM 1479 HB2 SER A 126 161.283 199.922 199.862 1.00 35.04 H +ATOM 1480 HB3 SER A 126 162.348 201.100 199.930 1.00 35.04 H +ATOM 1481 HG SER A 126 160.971 200.231 202.012 1.00 38.57 H +ATOM 1482 N PRO A 127 159.829 203.573 201.629 1.00 27.76 N +ATOM 1483 CA PRO A 127 158.563 203.000 202.110 1.00 29.93 C +ATOM 1484 C PRO A 127 157.569 202.686 200.992 1.00 29.32 C +ATOM 1485 O PRO A 127 157.637 203.295 199.923 1.00 29.03 O +ATOM 1486 CB PRO A 127 158.004 204.096 203.021 1.00 31.95 C +ATOM 1487 CG PRO A 127 159.180 204.885 203.444 1.00 31.72 C +ATOM 1488 CD PRO A 127 160.129 204.856 202.289 1.00 32.02 C +ATOM 1489 HA PRO A 127 158.729 202.199 202.631 1.00 35.91 H +ATOM 1490 HB2 PRO A 127 157.381 204.648 202.523 1.00 38.34 H +ATOM 1491 HB3 PRO A 127 157.568 203.692 203.787 1.00 38.34 H +ATOM 1492 HG2 PRO A 127 158.907 205.796 203.638 1.00 38.06 H +ATOM 1493 HG3 PRO A 127 159.582 204.475 204.226 1.00 38.06 H +ATOM 1494 HD2 PRO A 127 159.950 205.596 201.687 1.00 38.43 H +ATOM 1495 HD3 PRO A 127 161.046 204.868 202.605 1.00 38.43 H +ATOM 1496 N PRO A 128 156.651 201.741 201.241 1.00 29.76 N +ATOM 1497 CA PRO A 128 155.720 201.267 200.214 1.00 29.47 C +ATOM 1498 C PRO A 128 154.667 202.309 199.851 1.00 28.02 C +ATOM 1499 O PRO A 128 154.544 203.326 200.533 1.00 20.99 O +ATOM 1500 CB PRO A 128 155.084 200.041 200.869 1.00 24.50 C +ATOM 1501 CG PRO A 128 155.111 200.349 202.317 1.00 28.58 C +ATOM 1502 CD PRO A 128 156.375 201.130 202.553 1.00 26.11 C +ATOM 1503 HA PRO A 128 156.201 200.997 199.416 1.00 35.37 H +ATOM 1504 HB2 PRO A 128 154.173 199.935 200.555 1.00 29.40 H +ATOM 1505 HB3 PRO A 128 155.613 199.252 200.673 1.00 29.40 H +ATOM 1506 HG2 PRO A 128 154.334 200.881 202.550 1.00 34.30 H +ATOM 1507 HG3 PRO A 128 155.123 199.523 202.824 1.00 34.30 H +ATOM 1508 HD2 PRO A 128 156.228 201.818 203.221 1.00 31.33 H +ATOM 1509 HD3 PRO A 128 157.097 200.535 202.807 1.00 31.33 H +ATOM 1510 N THR A 129 153.913 202.048 198.788 1.00 30.20 N +ATOM 1511 CA THR A 129 152.947 203.012 198.276 1.00 30.91 C +ATOM 1512 C THR A 129 151.533 202.433 198.196 1.00 28.26 C +ATOM 1513 O THR A 129 150.750 202.571 199.133 1.00 25.94 O +ATOM 1514 CB THR A 129 153.374 203.521 196.889 1.00 28.28 C +ATOM 1515 OG1 THR A 129 153.538 202.412 195.999 1.00 33.19 O +ATOM 1516 CG2 THR A 129 154.692 204.275 196.986 1.00 30.60 C +ATOM 1517 H THR A 129 153.943 201.314 198.341 1.00 36.24 H +ATOM 1518 HA THR A 129 152.921 203.774 198.876 1.00 37.10 H +ATOM 1519 HB THR A 129 152.697 204.122 196.539 1.00 33.93 H +ATOM 1520 HG1 THR A 129 153.771 202.686 195.239 1.00 39.83 H +ATOM 1521 HG21 THR A 129 154.957 204.594 196.109 1.00 36.72 H +ATOM 1522 HG22 THR A 129 154.596 205.034 197.582 1.00 36.72 H +ATOM 1523 HG23 THR A 129 155.384 203.689 197.330 1.00 36.72 H +ATOM 1524 N TYR A 130 151.213 201.779 197.086 1.00 30.12 N +ATOM 1525 CA TYR A 130 149.842 201.368 196.813 1.00 32.31 C +ATOM 1526 C TYR A 130 149.460 200.041 197.460 1.00 29.98 C +ATOM 1527 O TYR A 130 150.322 199.266 197.873 1.00 30.25 O +ATOM 1528 CB TYR A 130 149.622 201.265 195.302 1.00 32.40 C +ATOM 1529 CG TYR A 130 150.115 202.465 194.528 1.00 33.08 C +ATOM 1530 CD1 TYR A 130 149.495 203.701 194.652 1.00 38.28 C +ATOM 1531 CD2 TYR A 130 151.197 202.360 193.664 1.00 30.75 C +ATOM 1532 CE1 TYR A 130 149.944 204.799 193.945 1.00 42.04 C +ATOM 1533 CE2 TYR A 130 151.650 203.452 192.952 1.00 38.87 C +ATOM 1534 CZ TYR A 130 151.021 204.668 193.097 1.00 48.87 C +ATOM 1535 OH TYR A 130 151.468 205.757 192.392 1.00 50.60 O +ATOM 1536 H TYR A 130 151.774 201.561 196.472 1.00 36.14 H +ATOM 1537 HA TYR A 130 149.239 202.047 197.154 1.00 38.77 H +ATOM 1538 HB2 TYR A 130 150.093 200.485 194.970 1.00 38.88 H +ATOM 1539 HB3 TYR A 130 148.671 201.173 195.130 1.00 38.88 H +ATOM 1540 HD1 TYR A 130 148.768 203.793 195.226 1.00 45.94 H +ATOM 1541 HD2 TYR A 130 151.625 201.540 193.565 1.00 36.90 H +ATOM 1542 HE1 TYR A 130 149.520 205.621 194.040 1.00 50.45 H +ATOM 1543 HE2 TYR A 130 152.377 203.368 192.379 1.00 46.64 H +ATOM 1544 HH TYR A 130 152.126 205.541 191.916 1.00 60.72 H +ATOM 1545 N ASN A 131 148.154 199.807 197.559 1.00 31.89 N +ATOM 1546 CA ASN A 131 147.622 198.486 197.882 1.00 31.87 C +ATOM 1547 C ASN A 131 146.334 198.245 197.097 1.00 30.36 C +ATOM 1548 O ASN A 131 145.968 199.050 196.241 1.00 30.98 O +ATOM 1549 CB ASN A 131 147.395 198.326 199.396 1.00 30.00 C +ATOM 1550 CG ASN A 131 146.320 199.253 199.954 1.00 37.32 C +ATOM 1551 OD1 ASN A 131 145.431 199.720 199.242 1.00 43.19 O +ATOM 1552 ND2 ASN A 131 146.397 199.511 201.254 1.00 27.52 N +ATOM 1553 H ASN A 131 147.547 200.405 197.441 1.00 38.27 H +ATOM 1554 HA ASN A 131 148.267 197.815 197.607 1.00 38.24 H +ATOM 1555 HB2 ASN A 131 147.123 197.412 199.577 1.00 36.00 H +ATOM 1556 HB3 ASN A 131 148.225 198.520 199.860 1.00 36.00 H +ATOM 1557 HD21 ASN A 131 145.818 200.027 201.626 1.00 33.03 H +ATOM 1558 HD22 ASN A 131 147.026 199.161 201.725 1.00 33.03 H +ATOM 1559 N ALA A 132 145.650 197.144 197.390 1.00 28.95 N +ATOM 1560 CA ALA A 132 144.476 196.736 196.622 1.00 35.08 C +ATOM 1561 C ALA A 132 143.390 197.808 196.577 1.00 32.93 C +ATOM 1562 O ALA A 132 142.660 197.913 195.594 1.00 40.52 O +ATOM 1563 CB ALA A 132 143.904 195.450 197.194 1.00 35.53 C +ATOM 1564 H ALA A 132 145.846 196.611 198.036 1.00 34.74 H +ATOM 1565 HA ALA A 132 144.750 196.556 195.709 1.00 42.10 H +ATOM 1566 HB1 ALA A 132 143.127 195.192 196.674 1.00 42.63 H +ATOM 1567 HB2 ALA A 132 144.580 194.755 197.146 1.00 42.63 H +ATOM 1568 HB3 ALA A 132 143.650 195.601 198.118 1.00 42.63 H +ATOM 1569 N ASP A 133 143.295 198.606 197.634 1.00 37.96 N +ATOM 1570 CA ASP A 133 142.208 199.571 197.774 1.00 33.20 C +ATOM 1571 C ASP A 133 142.598 200.998 197.399 1.00 33.79 C +ATOM 1572 O ASP A 133 141.746 201.882 197.381 1.00 38.42 O +ATOM 1573 CB ASP A 133 141.683 199.559 199.213 1.00 33.87 C +ATOM 1574 CG ASP A 133 140.859 198.322 199.526 1.00 33.86 C +ATOM 1575 OD1 ASP A 133 140.187 197.803 198.613 1.00 46.57 O +ATOM 1576 OD2 ASP A 133 140.879 197.869 200.688 1.00 33.74 O +ATOM 1577 H ASP A 133 143.851 198.608 198.289 1.00 45.56 H +ATOM 1578 HA ASP A 133 141.479 199.303 197.193 1.00 39.84 H +ATOM 1579 HB2 ASP A 133 142.436 199.580 199.824 1.00 40.65 H +ATOM 1580 HB3 ASP A 133 141.121 200.337 199.351 1.00 40.65 H +ATOM 1581 N TYR A 134 143.873 201.226 197.098 1.00 29.94 N +ATOM 1582 CA TYR A 134 144.357 202.576 196.824 1.00 27.42 C +ATOM 1583 C TYR A 134 145.324 202.626 195.649 1.00 34.37 C +ATOM 1584 O TYR A 134 146.455 202.153 195.739 1.00 36.25 O +ATOM 1585 CB TYR A 134 145.022 203.159 198.074 1.00 31.25 C +ATOM 1586 CG TYR A 134 144.044 203.431 199.192 1.00 32.57 C +ATOM 1587 CD1 TYR A 134 143.387 204.651 199.282 1.00 32.01 C +ATOM 1588 CD2 TYR A 134 143.764 202.467 200.150 1.00 30.97 C +ATOM 1589 CE1 TYR A 134 142.486 204.905 200.300 1.00 31.39 C +ATOM 1590 CE2 TYR A 134 142.862 202.710 201.169 1.00 31.09 C +ATOM 1591 CZ TYR A 134 142.226 203.932 201.239 1.00 31.53 C +ATOM 1592 OH TYR A 134 141.328 204.180 202.253 1.00 30.20 O +ATOM 1593 H TYR A 134 144.478 200.617 197.047 1.00 35.92 H +ATOM 1594 HA TYR A 134 143.598 203.139 196.604 1.00 32.91 H +ATOM 1595 HB2 TYR A 134 145.682 202.529 198.401 1.00 37.50 H +ATOM 1596 HB3 TYR A 134 145.451 203.997 197.841 1.00 37.50 H +ATOM 1597 HD1 TYR A 134 143.559 205.310 198.649 1.00 38.42 H +ATOM 1598 HD2 TYR A 134 144.190 201.641 200.105 1.00 37.16 H +ATOM 1599 HE1 TYR A 134 142.055 205.728 200.348 1.00 37.67 H +ATOM 1600 HE2 TYR A 134 142.687 202.054 201.804 1.00 37.30 H +ATOM 1601 HH TYR A 134 141.016 204.957 202.177 1.00 36.24 H +ATOM 1602 N GLY A 135 144.858 203.203 194.545 1.00 32.20 N +ATOM 1603 CA GLY A 135 145.688 203.433 193.377 1.00 28.28 C +ATOM 1604 C GLY A 135 146.273 204.833 193.382 1.00 29.24 C +ATOM 1605 O GLY A 135 146.817 205.295 192.382 1.00 32.33 O +ATOM 1606 H GLY A 135 144.048 203.475 194.450 1.00 38.64 H +ATOM 1607 HA2 GLY A 135 146.416 202.792 193.363 1.00 33.94 H +ATOM 1608 HA3 GLY A 135 145.158 203.320 192.573 1.00 33.94 H +ATOM 1609 N TYR A 136 146.137 205.515 194.514 1.00 30.24 N +ATOM 1610 CA TYR A 136 146.811 206.785 194.752 1.00 36.91 C +ATOM 1611 C TYR A 136 147.469 206.720 196.123 1.00 30.09 C +ATOM 1612 O TYR A 136 147.023 205.971 196.990 1.00 31.94 O +ATOM 1613 CB TYR A 136 145.832 207.958 194.676 1.00 27.63 C +ATOM 1614 CG TYR A 136 144.658 207.836 195.623 1.00 31.93 C +ATOM 1615 CD1 TYR A 136 143.498 207.178 195.239 1.00 29.79 C +ATOM 1616 CD2 TYR A 136 144.710 208.376 196.902 1.00 28.75 C +ATOM 1617 CE1 TYR A 136 142.428 207.062 196.097 1.00 28.38 C +ATOM 1618 CE2 TYR A 136 143.641 208.262 197.766 1.00 31.64 C +ATOM 1619 CZ TYR A 136 142.503 207.605 197.358 1.00 27.58 C +ATOM 1620 OH TYR A 136 141.436 207.490 198.212 1.00 33.56 O +ATOM 1621 H TYR A 136 145.648 205.257 195.173 1.00 36.29 H +ATOM 1622 HA TYR A 136 147.502 206.916 194.084 1.00 44.30 H +ATOM 1623 HB2 TYR A 136 146.306 208.775 194.896 1.00 33.16 H +ATOM 1624 HB3 TYR A 136 145.481 208.014 193.774 1.00 33.16 H +ATOM 1625 HD1 TYR A 136 143.443 206.809 194.387 1.00 35.75 H +ATOM 1626 HD2 TYR A 136 145.478 208.820 197.180 1.00 34.50 H +ATOM 1627 HE1 TYR A 136 141.657 206.619 195.825 1.00 34.06 H +ATOM 1628 HE2 TYR A 136 143.688 208.629 198.619 1.00 37.97 H +ATOM 1629 HH TYR A 136 140.812 207.070 197.837 1.00 40.28 H +ATOM 1630 N LYS A 137 148.534 207.488 196.316 1.00 37.46 N +ATOM 1631 CA LYS A 137 149.219 207.505 197.603 1.00 36.60 C +ATOM 1632 C LYS A 137 148.292 208.030 198.688 1.00 28.07 C +ATOM 1633 O LYS A 137 147.644 209.061 198.520 1.00 28.46 O +ATOM 1634 CB LYS A 137 150.490 208.356 197.544 1.00 36.77 C +ATOM 1635 CG LYS A 137 151.711 207.632 196.999 1.00 43.54 C +ATOM 1636 CD LYS A 137 151.951 207.967 195.551 1.00 58.30 C +ATOM 1637 CE LYS A 137 153.242 207.359 195.044 1.00 40.03 C +ATOM 1638 NZ LYS A 137 153.325 207.488 193.563 1.00 54.32 N +ATOM 1639 H LYS A 137 148.879 208.006 195.722 1.00 44.95 H +ATOM 1640 HA LYS A 137 149.474 206.599 197.838 1.00 43.92 H +ATOM 1641 HB2 LYS A 137 150.324 209.123 196.973 1.00 44.12 H +ATOM 1642 HB3 LYS A 137 150.703 208.658 198.441 1.00 44.12 H +ATOM 1643 HG2 LYS A 137 152.493 207.898 197.507 1.00 52.25 H +ATOM 1644 HG3 LYS A 137 151.573 206.674 197.071 1.00 52.25 H +ATOM 1645 HD2 LYS A 137 151.221 207.617 195.017 1.00 69.96 H +ATOM 1646 HD3 LYS A 137 152.009 208.930 195.451 1.00 69.96 H +ATOM 1647 HE2 LYS A 137 153.996 207.826 195.437 1.00 48.03 H +ATOM 1648 HE3 LYS A 137 153.269 206.417 195.273 1.00 48.03 H +ATOM 1649 HZ1 LYS A 137 154.085 207.130 193.269 1.00 65.19 H +ATOM 1650 HZ2 LYS A 137 152.640 207.067 193.183 1.00 65.19 H +ATOM 1651 HZ3 LYS A 137 153.301 208.347 193.331 1.00 65.19 H +ATOM 1652 N SER A 138 148.226 207.299 199.794 1.00 29.06 N +ATOM 1653 CA SER A 138 147.427 207.699 200.943 1.00 25.11 C +ATOM 1654 C SER A 138 148.057 207.165 202.217 1.00 33.99 C +ATOM 1655 O SER A 138 148.826 206.203 202.185 1.00 27.09 O +ATOM 1656 CB SER A 138 145.995 207.188 200.816 1.00 28.48 C +ATOM 1657 OG SER A 138 145.953 205.777 200.915 1.00 34.42 O +ATOM 1658 H SER A 138 148.642 206.554 199.904 1.00 34.87 H +ATOM 1659 HA SER A 138 147.403 208.667 200.997 1.00 30.13 H +ATOM 1660 HB2 SER A 138 145.459 207.571 201.529 1.00 34.17 H +ATOM 1661 HB3 SER A 138 145.639 207.455 199.954 1.00 34.17 H +ATOM 1662 HG SER A 138 145.161 205.507 200.844 1.00 41.31 H +ATOM 1663 N TRP A 139 147.723 207.786 203.341 1.00 31.94 N +ATOM 1664 CA TRP A 139 148.249 207.343 204.617 1.00 23.77 C +ATOM 1665 C TRP A 139 147.657 206.002 205.024 1.00 26.45 C +ATOM 1666 O TRP A 139 148.293 205.234 205.741 1.00 28.70 O +ATOM 1667 CB TRP A 139 147.979 208.369 205.708 1.00 26.50 C +ATOM 1668 CG TRP A 139 148.799 208.087 206.906 1.00 28.62 C +ATOM 1669 CD1 TRP A 139 148.414 207.418 208.030 1.00 29.89 C +ATOM 1670 CD2 TRP A 139 150.172 208.430 207.091 1.00 35.26 C +ATOM 1671 NE1 TRP A 139 149.462 207.337 208.912 1.00 30.35 N +ATOM 1672 CE2 TRP A 139 150.554 207.952 208.357 1.00 32.06 C +ATOM 1673 CE3 TRP A 139 151.113 209.105 206.311 1.00 34.73 C +ATOM 1674 CZ2 TRP A 139 151.837 208.126 208.861 1.00 38.79 C +ATOM 1675 CZ3 TRP A 139 152.382 209.281 206.815 1.00 36.65 C +ATOM 1676 CH2 TRP A 139 152.735 208.792 208.077 1.00 32.80 C +ATOM 1677 H TRP A 139 147.196 208.464 203.389 1.00 38.33 H +ATOM 1678 HA TRP A 139 149.210 207.235 204.541 1.00 28.53 H +ATOM 1679 HB2 TRP A 139 148.206 209.254 205.383 1.00 31.81 H +ATOM 1680 HB3 TRP A 139 147.043 208.331 205.962 1.00 31.81 H +ATOM 1681 HD1 TRP A 139 147.565 207.069 208.178 1.00 35.86 H +ATOM 1682 HE1 TRP A 139 149.438 206.961 209.685 1.00 36.42 H +ATOM 1683 HE3 TRP A 139 150.887 209.433 205.471 1.00 41.67 H +ATOM 1684 HZ2 TRP A 139 152.073 207.806 209.702 1.00 46.55 H +ATOM 1685 HZ3 TRP A 139 153.018 209.727 206.304 1.00 43.98 H +ATOM 1686 HH2 TRP A 139 153.601 208.925 208.390 1.00 39.36 H +ATOM 1687 N GLU A 140 146.438 205.727 204.575 1.00 31.54 N +ATOM 1688 CA GLU A 140 145.807 204.444 204.851 1.00 30.62 C +ATOM 1689 C GLU A 140 146.623 203.324 204.216 1.00 26.19 C +ATOM 1690 O GLU A 140 146.873 202.295 204.839 1.00 25.53 O +ATOM 1691 CB GLU A 140 144.368 204.417 204.327 1.00 28.24 C +ATOM 1692 CG GLU A 140 143.640 203.102 204.576 1.00 28.31 C +ATOM 1693 CD GLU A 140 143.500 202.772 206.051 1.00 37.50 C +ATOM 1694 OE1 GLU A 140 143.480 203.708 206.879 1.00 35.53 O +ATOM 1695 OE2 GLU A 140 143.412 201.573 206.384 1.00 27.86 O +ATOM 1696 H GLU A 140 145.956 206.266 204.109 1.00 37.85 H +ATOM 1697 HA GLU A 140 145.785 204.298 205.809 1.00 36.75 H +ATOM 1698 HB2 GLU A 140 143.864 205.121 204.765 1.00 33.89 H +ATOM 1699 HB3 GLU A 140 144.382 204.571 203.369 1.00 33.89 H +ATOM 1700 HG2 GLU A 140 142.749 203.158 204.197 1.00 33.97 H +ATOM 1701 HG3 GLU A 140 144.135 202.382 204.154 1.00 33.97 H +ATOM 1702 N ALA A 141 147.042 203.536 202.974 1.00 23.57 N +ATOM 1703 CA ALA A 141 147.796 202.530 202.240 1.00 28.79 C +ATOM 1704 C ALA A 141 149.188 202.337 202.835 1.00 33.45 C +ATOM 1705 O ALA A 141 149.687 201.214 202.912 1.00 27.72 O +ATOM 1706 CB ALA A 141 147.897 202.912 200.776 1.00 29.13 C +ATOM 1707 H ALA A 141 146.902 204.260 202.531 1.00 28.28 H +ATOM 1708 HA ALA A 141 147.328 201.683 202.297 1.00 34.54 H +ATOM 1709 HB1 ALA A 141 148.402 202.230 200.307 1.00 34.96 H +ATOM 1710 HB2 ALA A 141 147.003 202.977 200.405 1.00 34.96 H +ATOM 1711 HB3 ALA A 141 148.348 203.768 200.704 1.00 34.96 H +ATOM 1712 N PHE A 142 149.815 203.429 203.259 1.00 23.64 N +ATOM 1713 CA PHE A 142 151.142 203.339 203.849 1.00 26.07 C +ATOM 1714 C PHE A 142 151.129 202.658 205.214 1.00 29.19 C +ATOM 1715 O PHE A 142 151.933 201.763 205.473 1.00 24.75 O +ATOM 1716 CB PHE A 142 151.779 204.718 204.010 1.00 21.06 C +ATOM 1717 CG PHE A 142 152.899 204.729 205.005 1.00 22.72 C +ATOM 1718 CD1 PHE A 142 154.118 204.154 204.696 1.00 26.56 C +ATOM 1719 CD2 PHE A 142 152.720 205.268 206.266 1.00 22.45 C +ATOM 1720 CE1 PHE A 142 155.146 204.137 205.619 1.00 20.11 C +ATOM 1721 CE2 PHE A 142 153.744 205.253 207.191 1.00 25.24 C +ATOM 1722 CZ PHE A 142 154.957 204.687 206.867 1.00 22.94 C +ATOM 1723 H PHE A 142 149.497 204.227 203.216 1.00 28.36 H +ATOM 1724 HA PHE A 142 151.710 202.816 203.262 1.00 31.28 H +ATOM 1725 HB2 PHE A 142 152.136 205.002 203.154 1.00 25.27 H +ATOM 1726 HB3 PHE A 142 151.103 205.344 204.312 1.00 25.27 H +ATOM 1727 HD1 PHE A 142 154.250 203.779 203.855 1.00 31.87 H +ATOM 1728 HD2 PHE A 142 151.902 205.650 206.492 1.00 26.94 H +ATOM 1729 HE1 PHE A 142 155.965 203.756 205.397 1.00 24.13 H +ATOM 1730 HE2 PHE A 142 153.615 205.627 208.033 1.00 30.29 H +ATOM 1731 HZ PHE A 142 155.649 204.682 207.488 1.00 27.53 H +ATOM 1732 N SER A 143 150.216 203.089 206.079 1.00 22.74 N +ATOM 1733 CA SER A 143 150.287 202.769 207.501 1.00 28.34 C +ATOM 1734 C SER A 143 149.664 201.424 207.873 1.00 25.41 C +ATOM 1735 O SER A 143 150.054 200.809 208.863 1.00 32.18 O +ATOM 1736 CB SER A 143 149.609 203.878 208.312 1.00 27.32 C +ATOM 1737 OG SER A 143 148.212 203.899 208.085 1.00 29.99 O +ATOM 1738 H SER A 143 149.539 203.574 205.864 1.00 27.29 H +ATOM 1739 HA SER A 143 151.220 202.742 207.765 1.00 34.01 H +ATOM 1740 HB2 SER A 143 149.772 203.723 209.255 1.00 32.79 H +ATOM 1741 HB3 SER A 143 149.983 204.734 208.049 1.00 32.79 H +ATOM 1742 HG SER A 143 148.055 204.035 207.271 1.00 35.98 H +ATOM 1743 N ASN A 144 148.697 200.969 207.087 1.00 28.32 N +ATOM 1744 CA ASN A 144 147.945 199.767 207.429 1.00 30.00 C +ATOM 1745 C ASN A 144 148.704 198.504 207.026 1.00 26.42 C +ATOM 1746 O ASN A 144 148.712 198.117 205.858 1.00 23.22 O +ATOM 1747 CB ASN A 144 146.569 199.813 206.764 1.00 29.32 C +ATOM 1748 CG ASN A 144 145.613 198.763 207.302 1.00 27.76 C +ATOM 1749 OD1 ASN A 144 146.010 197.666 207.681 1.00 23.20 O +ATOM 1750 ND2 ASN A 144 144.334 199.104 207.331 1.00 35.21 N +ATOM 1751 H ASN A 144 148.454 201.338 206.349 1.00 33.98 H +ATOM 1752 HA ASN A 144 147.812 199.742 208.390 1.00 36.00 H +ATOM 1753 HB2 ASN A 144 146.174 200.685 206.919 1.00 35.19 H +ATOM 1754 HB3 ASN A 144 146.675 199.662 205.812 1.00 35.19 H +ATOM 1755 HD21 ASN A 144 144.094 199.879 207.045 1.00 42.25 H +ATOM 1756 N LEU A 145 149.329 197.865 208.010 1.00 27.19 N +ATOM 1757 CA LEU A 145 150.224 196.737 207.769 1.00 25.41 C +ATOM 1758 C LEU A 145 149.485 195.446 207.418 1.00 26.58 C +ATOM 1759 O LEU A 145 150.116 194.430 207.132 1.00 20.42 O +ATOM 1760 CB LEU A 145 151.106 196.494 208.997 1.00 24.27 C +ATOM 1761 CG LEU A 145 151.991 197.657 209.460 1.00 27.74 C +ATOM 1762 CD1 LEU A 145 152.755 197.268 210.713 1.00 30.61 C +ATOM 1763 CD2 LEU A 145 152.953 198.088 208.369 1.00 21.62 C +ATOM 1764 H LEU A 145 149.250 198.070 208.842 1.00 32.63 H +ATOM 1765 HA LEU A 145 150.806 196.955 207.024 1.00 30.49 H +ATOM 1766 HB2 LEU A 145 150.529 196.261 209.741 1.00 29.12 H +ATOM 1767 HB3 LEU A 145 151.694 195.748 208.803 1.00 29.12 H +ATOM 1768 HG LEU A 145 151.427 198.415 209.677 1.00 33.28 H +ATOM 1769 HD11 LEU A 145 153.308 198.016 210.989 1.00 36.73 H +ATOM 1770 HD12 LEU A 145 152.121 197.049 211.413 1.00 36.73 H +ATOM 1771 HD13 LEU A 145 153.312 196.499 210.517 1.00 36.73 H +ATOM 1772 HD21 LEU A 145 153.494 198.823 208.698 1.00 25.94 H +ATOM 1773 HD22 LEU A 145 153.521 197.337 208.135 1.00 25.94 H +ATOM 1774 HD23 LEU A 145 152.443 198.373 207.594 1.00 25.94 H +ATOM 1775 N SER A 146 148.157 195.484 207.436 1.00 23.62 N +ATOM 1776 CA SER A 146 147.364 194.290 207.168 1.00 29.39 C +ATOM 1777 C SER A 146 147.230 194.027 205.674 1.00 26.27 C +ATOM 1778 O SER A 146 146.826 192.941 205.273 1.00 24.54 O +ATOM 1779 CB SER A 146 145.977 194.409 207.798 1.00 27.24 C +ATOM 1780 OG SER A 146 146.070 194.420 209.208 1.00 28.67 O +ATOM 1781 H SER A 146 147.691 196.188 207.601 1.00 28.34 H +ATOM 1782 HA SER A 146 147.807 193.525 207.566 1.00 35.27 H +ATOM 1783 HB2 SER A 146 145.564 195.235 207.502 1.00 32.68 H +ATOM 1784 HB3 SER A 146 145.439 193.650 207.523 1.00 32.68 H +ATOM 1785 HG SER A 146 145.304 194.485 209.546 1.00 34.40 H +ATOM 1786 N TYR A 147 147.569 195.019 204.856 1.00 25.78 N +ATOM 1787 CA TYR A 147 147.558 194.860 203.406 1.00 29.24 C +ATOM 1788 C TYR A 147 148.878 194.324 202.871 1.00 32.19 C +ATOM 1789 O TYR A 147 149.946 194.700 203.352 1.00 27.26 O +ATOM 1790 CB TYR A 147 147.297 196.193 202.704 1.00 33.48 C +ATOM 1791 CG TYR A 147 145.899 196.760 202.778 1.00 40.49 C +ATOM 1792 CD1 TYR A 147 145.527 197.605 203.814 1.00 36.24 C +ATOM 1793 CD2 TYR A 147 144.969 196.505 201.775 1.00 34.44 C +ATOM 1794 CE1 TYR A 147 144.266 198.150 203.868 1.00 37.53 C +ATOM 1795 CE2 TYR A 147 143.703 197.048 201.824 1.00 32.60 C +ATOM 1796 CZ TYR A 147 143.358 197.870 202.872 1.00 38.24 C +ATOM 1797 OH TYR A 147 142.102 198.416 202.931 1.00 39.74 O +ATOM 1798 H TYR A 147 147.811 195.801 205.119 1.00 30.94 H +ATOM 1799 HA TYR A 147 146.854 194.241 203.156 1.00 35.09 H +ATOM 1800 HB2 TYR A 147 147.893 196.855 203.087 1.00 40.18 H +ATOM 1801 HB3 TYR A 147 147.509 196.082 201.763 1.00 40.18 H +ATOM 1802 HD1 TYR A 147 146.138 197.798 204.488 1.00 43.48 H +ATOM 1803 HD2 TYR A 147 145.202 195.950 201.066 1.00 41.33 H +ATOM 1804 HE1 TYR A 147 144.028 198.706 204.574 1.00 45.03 H +ATOM 1805 HE2 TYR A 147 143.086 196.861 201.153 1.00 39.12 H +ATOM 1806 HH TYR A 147 141.650 198.168 202.268 1.00 47.69 H +ATOM 1807 N TYR A 148 148.803 193.464 201.863 1.00 32.07 N +ATOM 1808 CA TYR A 148 149.913 193.322 200.934 1.00 29.65 C +ATOM 1809 C TYR A 148 150.049 194.664 200.225 1.00 28.94 C +ATOM 1810 O TYR A 148 149.040 195.293 199.905 1.00 26.39 O +ATOM 1811 CB TYR A 148 149.672 192.212 199.910 1.00 26.30 C +ATOM 1812 CG TYR A 148 149.755 190.800 200.439 1.00 27.88 C +ATOM 1813 CD1 TYR A 148 150.971 190.246 200.816 1.00 28.10 C +ATOM 1814 CD2 TYR A 148 148.620 190.006 200.522 1.00 28.68 C +ATOM 1815 CE1 TYR A 148 151.048 188.948 201.284 1.00 29.04 C +ATOM 1816 CE2 TYR A 148 148.688 188.711 200.987 1.00 35.89 C +ATOM 1817 CZ TYR A 148 149.903 188.186 201.366 1.00 27.67 C +ATOM 1818 OH TYR A 148 149.969 186.894 201.829 1.00 23.50 O +ATOM 1819 H TYR A 148 148.129 192.957 201.697 1.00 38.48 H +ATOM 1820 HA TYR A 148 150.732 193.135 201.419 1.00 35.59 H +ATOM 1821 HB2 TYR A 148 148.785 192.329 199.535 1.00 31.56 H +ATOM 1822 HB3 TYR A 148 150.333 192.297 199.206 1.00 31.56 H +ATOM 1823 HD1 TYR A 148 151.744 190.760 200.761 1.00 33.72 H +ATOM 1824 HD2 TYR A 148 147.797 190.357 200.267 1.00 34.41 H +ATOM 1825 HE1 TYR A 148 151.868 188.591 201.540 1.00 34.85 H +ATOM 1826 HE2 TYR A 148 147.918 188.194 201.044 1.00 43.07 H +ATOM 1827 HH TYR A 148 149.203 186.549 201.826 1.00 28.19 H +ATOM 1828 N THR A 149 151.275 195.115 199.985 1.00 29.55 N +ATOM 1829 CA THR A 149 151.475 196.350 199.237 1.00 33.48 C +ATOM 1830 C THR A 149 151.442 196.018 197.747 1.00 29.74 C +ATOM 1831 O THR A 149 151.380 194.848 197.374 1.00 25.63 O +ATOM 1832 CB THR A 149 152.799 197.054 199.623 1.00 24.85 C +ATOM 1833 OG1 THR A 149 152.814 198.387 199.094 1.00 32.34 O +ATOM 1834 CG2 THR A 149 154.011 196.280 199.118 1.00 22.86 C +ATOM 1835 H THR A 149 152.000 194.730 200.241 1.00 35.47 H +ATOM 1836 HA THR A 149 150.744 196.958 199.427 1.00 40.18 H +ATOM 1837 HB THR A 149 152.859 197.100 200.590 1.00 29.82 H +ATOM 1838 HG1 THR A 149 152.750 198.365 198.257 1.00 38.81 H +ATOM 1839 HG21 THR A 149 154.827 196.741 199.371 1.00 27.43 H +ATOM 1840 HG22 THR A 149 154.019 195.390 199.502 1.00 27.43 H +ATOM 1841 HG23 THR A 149 153.978 196.206 198.151 1.00 27.43 H +ATOM 1842 N ARG A 150 151.462 197.044 196.903 1.00 28.69 N +ATOM 1843 CA ARG A 150 151.374 196.851 195.460 1.00 33.17 C +ATOM 1844 C ARG A 150 152.464 197.590 194.690 1.00 35.91 C +ATOM 1845 O ARG A 150 152.743 198.759 194.947 1.00 33.13 O +ATOM 1846 CB ARG A 150 149.997 197.295 194.969 1.00 29.74 C +ATOM 1847 CG ARG A 150 148.889 196.329 195.340 1.00 31.71 C +ATOM 1848 CD ARG A 150 148.905 195.114 194.429 1.00 31.73 C +ATOM 1849 NE ARG A 150 148.285 195.405 193.140 1.00 31.47 N +ATOM 1850 CZ ARG A 150 146.981 195.320 192.899 1.00 32.61 C +ATOM 1851 NH1 ARG A 150 146.141 194.949 193.855 1.00 31.17 N +ATOM 1852 NH2 ARG A 150 146.512 195.608 191.694 1.00 37.15 N +ATOM 1853 H ARG A 150 151.526 197.868 197.142 1.00 34.43 H +ATOM 1854 HA ARG A 150 151.466 195.905 195.267 1.00 39.80 H +ATOM 1855 HB2 ARG A 150 149.786 198.156 195.362 1.00 35.68 H +ATOM 1856 HB3 ARG A 150 150.018 197.369 194.002 1.00 35.68 H +ATOM 1857 HG2 ARG A 150 149.016 196.028 196.253 1.00 38.05 H +ATOM 1858 HG3 ARG A 150 148.031 196.771 195.245 1.00 38.05 H +ATOM 1859 HD2 ARG A 150 149.823 194.845 194.271 1.00 38.08 H +ATOM 1860 HD3 ARG A 150 148.410 194.393 194.849 1.00 38.08 H +ATOM 1861 HE ARG A 150 148.798 195.648 192.494 1.00 37.77 H +ATOM 1862 HH11 ARG A 150 146.438 194.761 194.640 1.00 37.41 H +ATOM 1863 HH12 ARG A 150 145.298 194.896 193.691 1.00 37.41 H +ATOM 1864 HH21 ARG A 150 147.051 195.849 191.069 1.00 44.58 H +ATOM 1865 HH22 ARG A 150 145.669 195.552 191.536 1.00 44.58 H +ATOM 1866 N ALA A 151 153.081 196.886 193.746 1.00 34.49 N +ATOM 1867 CA ALA A 151 154.106 197.472 192.895 1.00 34.51 C +ATOM 1868 C ALA A 151 153.463 198.340 191.817 1.00 39.81 C +ATOM 1869 O ALA A 151 153.966 199.417 191.498 1.00 42.03 O +ATOM 1870 CB ALA A 151 154.960 196.387 192.269 1.00 37.71 C +ATOM 1871 H ALA A 151 152.922 196.058 193.579 1.00 41.39 H +ATOM 1872 HA ALA A 151 154.682 198.037 193.433 1.00 41.42 H +ATOM 1873 HB1 ALA A 151 155.634 196.801 191.707 1.00 45.26 H +ATOM 1874 HB2 ALA A 151 155.386 195.875 192.974 1.00 45.26 H +ATOM 1875 HB3 ALA A 151 154.394 195.808 191.735 1.00 45.26 H +ATOM 1876 N LEU A 152 152.357 197.856 191.255 1.00 32.69 N +ATOM 1877 CA LEU A 152 151.506 198.661 190.381 1.00 33.70 C +ATOM 1878 C LEU A 152 150.145 198.857 191.033 1.00 36.02 C +ATOM 1879 O LEU A 152 149.605 197.930 191.634 1.00 33.53 O +ATOM 1880 CB LEU A 152 151.330 198.006 189.009 1.00 41.94 C +ATOM 1881 CG LEU A 152 152.468 198.118 187.993 1.00 40.24 C +ATOM 1882 CD1 LEU A 152 152.059 197.426 186.706 1.00 35.55 C +ATOM 1883 CD2 LEU A 152 152.844 199.569 187.723 1.00 33.89 C +ATOM 1884 H LEU A 152 152.075 197.051 191.366 1.00 39.22 H +ATOM 1885 HA LEU A 152 151.911 199.533 190.253 1.00 40.44 H +ATOM 1886 HB2 LEU A 152 151.174 197.059 189.152 1.00 50.32 H +ATOM 1887 HB3 LEU A 152 150.545 198.395 188.594 1.00 50.32 H +ATOM 1888 HG LEU A 152 153.251 197.664 188.342 1.00 48.29 H +ATOM 1889 HD11 LEU A 152 152.783 197.500 186.065 1.00 42.66 H +ATOM 1890 HD12 LEU A 152 151.876 196.492 186.894 1.00 42.66 H +ATOM 1891 HD13 LEU A 152 151.262 197.856 186.357 1.00 42.66 H +ATOM 1892 HD21 LEU A 152 153.566 199.593 187.076 1.00 40.67 H +ATOM 1893 HD22 LEU A 152 152.070 200.036 187.372 1.00 40.67 H +ATOM 1894 HD23 LEU A 152 153.131 199.980 188.554 1.00 40.67 H +ATOM 1895 N PRO A 153 149.575 200.062 190.908 1.00 37.54 N +ATOM 1896 CA PRO A 153 148.282 200.293 191.556 1.00 33.15 C +ATOM 1897 C PRO A 153 147.167 199.499 190.890 1.00 37.63 C +ATOM 1898 O PRO A 153 147.329 199.071 189.746 1.00 37.41 O +ATOM 1899 CB PRO A 153 148.069 201.797 191.384 1.00 32.13 C +ATOM 1900 CG PRO A 153 148.836 202.146 190.161 1.00 32.18 C +ATOM 1901 CD PRO A 153 150.024 201.232 190.134 1.00 33.63 C +ATOM 1902 HA PRO A 153 148.326 200.073 192.499 1.00 39.78 H +ATOM 1903 HB2 PRO A 153 147.125 201.983 191.263 1.00 38.55 H +ATOM 1904 HB3 PRO A 153 148.418 202.269 192.156 1.00 38.55 H +ATOM 1905 HG2 PRO A 153 148.280 202.003 189.379 1.00 38.62 H +ATOM 1906 HG3 PRO A 153 149.121 203.072 190.212 1.00 38.62 H +ATOM 1907 HD2 PRO A 153 150.232 200.975 189.222 1.00 40.36 H +ATOM 1908 HD3 PRO A 153 150.783 201.652 190.567 1.00 40.36 H +ATOM 1909 N PRO A 154 146.051 199.292 191.600 1.00 36.50 N +ATOM 1910 CA PRO A 154 144.903 198.600 191.009 1.00 41.60 C +ATOM 1911 C PRO A 154 144.306 199.371 189.842 1.00 45.37 C +ATOM 1912 O PRO A 154 144.343 200.602 189.834 1.00 37.21 O +ATOM 1913 CB PRO A 154 143.906 198.515 192.170 1.00 38.67 C +ATOM 1914 CG PRO A 154 144.312 199.604 193.102 1.00 41.44 C +ATOM 1915 CD PRO A 154 145.799 199.674 192.998 1.00 35.14 C +ATOM 1916 HA PRO A 154 145.149 197.706 190.722 1.00 49.91 H +ATOM 1917 HB2 PRO A 154 143.006 198.662 191.840 1.00 46.41 H +ATOM 1918 HB3 PRO A 154 143.978 197.649 192.601 1.00 46.41 H +ATOM 1919 HG2 PRO A 154 143.908 200.440 192.822 1.00 49.73 H +ATOM 1920 HG3 PRO A 154 144.041 199.378 194.005 1.00 49.73 H +ATOM 1921 HD2 PRO A 154 146.109 200.578 193.164 1.00 42.17 H +ATOM 1922 HD3 PRO A 154 146.212 199.038 193.604 1.00 42.17 H +ATOM 1923 N VAL A 155 143.774 198.648 188.865 1.00 51.02 N +ATOM 1924 CA VAL A 155 143.023 199.270 187.787 1.00 52.14 C +ATOM 1925 C VAL A 155 141.814 199.961 188.412 1.00 45.47 C +ATOM 1926 O VAL A 155 141.085 199.332 189.177 1.00 53.90 O +ATOM 1927 CB VAL A 155 142.561 198.242 186.736 1.00 50.37 C +ATOM 1928 CG1 VAL A 155 141.786 198.925 185.608 1.00 54.43 C +ATOM 1929 CG2 VAL A 155 143.755 197.478 186.178 1.00 42.39 C +ATOM 1930 H VAL A 155 143.835 197.792 188.804 1.00 61.22 H +ATOM 1931 HA VAL A 155 143.572 199.939 187.348 1.00 62.57 H +ATOM 1932 HB VAL A 155 141.968 197.602 187.160 1.00 60.45 H +ATOM 1933 HG11 VAL A 155 141.510 198.255 184.964 1.00 65.32 H +ATOM 1934 HG12 VAL A 155 141.008 199.366 185.983 1.00 65.32 H +ATOM 1935 HG13 VAL A 155 142.363 199.578 185.180 1.00 65.32 H +ATOM 1936 HG21 VAL A 155 143.441 196.838 185.520 1.00 50.87 H +ATOM 1937 HG22 VAL A 155 144.366 198.107 185.763 1.00 50.87 H +ATOM 1938 HG23 VAL A 155 144.200 197.015 186.905 1.00 50.87 H +ATOM 1939 N PRO A 156 141.602 201.257 188.112 1.00 45.08 N +ATOM 1940 CA PRO A 156 140.433 201.930 188.694 1.00 59.60 C +ATOM 1941 C PRO A 156 139.126 201.204 188.387 1.00 60.65 C +ATOM 1942 O PRO A 156 139.056 200.420 187.443 1.00 58.05 O +ATOM 1943 CB PRO A 156 140.459 203.327 188.054 1.00 60.95 C +ATOM 1944 CG PRO A 156 141.547 203.310 187.035 1.00 52.97 C +ATOM 1945 CD PRO A 156 142.464 202.191 187.369 1.00 46.39 C +ATOM 1946 HA PRO A 156 140.536 202.014 189.655 1.00 71.52 H +ATOM 1947 HB2 PRO A 156 139.603 203.504 187.633 1.00 73.14 H +ATOM 1948 HB3 PRO A 156 140.644 203.991 188.737 1.00 73.14 H +ATOM 1949 HG2 PRO A 156 141.160 203.174 186.156 1.00 63.56 H +ATOM 1950 HG3 PRO A 156 142.025 204.154 187.064 1.00 63.56 H +ATOM 1951 HD2 PRO A 156 142.797 201.774 186.560 1.00 55.67 H +ATOM 1952 HD3 PRO A 156 143.188 202.505 187.933 1.00 55.67 H +ATOM 1953 N ASP A 157 138.103 201.469 189.191 1.00 76.52 N +ATOM 1954 CA ASP A 157 136.872 200.689 189.154 1.00 85.74 C +ATOM 1955 C ASP A 157 136.115 200.842 187.840 1.00 85.55 C +ATOM 1956 O ASP A 157 135.990 199.884 187.077 1.00 87.01 O +ATOM 1957 CB ASP A 157 135.975 201.084 190.327 1.00 89.93 C +ATOM 1958 CG ASP A 157 136.638 200.845 191.670 1.00 95.36 C +ATOM 1959 OD1 ASP A 157 137.291 199.791 191.830 1.00 90.82 O +ATOM 1960 OD2 ASP A 157 136.518 201.712 192.560 1.00 88.79 O +ATOM 1961 H ASP A 157 138.096 202.103 189.773 1.00 91.83 H +ATOM 1962 HA ASP A 157 137.097 199.751 189.257 1.00102.89 H +ATOM 1963 HB2 ASP A 157 135.763 202.028 190.260 1.00107.92 H +ATOM 1964 HB3 ASP A 157 135.161 200.557 190.295 1.00107.92 H +ATOM 1965 N ASP A 158 135.605 202.040 187.578 1.00 82.59 N +ATOM 1966 CA ASP A 158 134.810 202.271 186.378 1.00 88.82 C +ATOM 1967 C ASP A 158 135.729 202.442 185.171 1.00 79.11 C +ATOM 1968 O ASP A 158 135.989 203.561 184.727 1.00 88.57 O +ATOM 1969 CB ASP A 158 133.901 203.496 186.556 1.00105.81 C +ATOM 1970 CG ASP A 158 132.666 203.446 185.670 1.00121.76 C +ATOM 1971 OD1 ASP A 158 132.130 202.340 185.448 1.00125.47 O +ATOM 1972 OD2 ASP A 158 132.226 204.517 185.201 1.00127.22 O +ATOM 1973 H ASP A 158 135.704 202.734 188.077 1.00 99.11 H +ATOM 1974 HA ASP A 158 134.245 201.499 186.219 1.00106.59 H +ATOM 1975 HB2 ASP A 158 133.607 203.539 187.480 1.00126.97 H +ATOM 1976 HB3 ASP A 158 134.401 204.296 186.330 1.00126.97 H +ATOM 1977 N CYS A 159 136.221 201.319 184.654 1.00 58.94 N +ATOM 1978 CA CYS A 159 137.076 201.314 183.472 1.00 68.35 C +ATOM 1979 C CYS A 159 136.405 200.572 182.320 1.00 66.44 C +ATOM 1980 O CYS A 159 135.601 199.670 182.551 1.00 63.66 O +ATOM 1981 CB CYS A 159 138.426 200.670 183.784 1.00 71.14 C +ATOM 1982 SG CYS A 159 139.632 201.811 184.475 1.00 70.77 S +ATOM 1983 H CYS A 159 136.071 200.535 184.976 1.00 70.73 H +ATOM 1984 HA CYS A 159 137.235 202.228 183.190 1.00 82.02 H +ATOM 1985 HB2 CYS A 159 138.290 199.956 184.427 1.00 85.37 H +ATOM 1986 HB3 CYS A 159 138.796 200.307 182.964 1.00 85.37 H +ATOM 1987 N PRO A 160 136.736 200.948 181.072 1.00 55.53 N +ATOM 1988 CA PRO A 160 136.184 200.273 179.891 1.00 62.79 C +ATOM 1989 C PRO A 160 136.350 198.757 179.934 1.00 68.02 C +ATOM 1990 O PRO A 160 135.470 198.032 179.470 1.00 85.18 O +ATOM 1991 CB PRO A 160 136.991 200.878 178.742 1.00 69.69 C +ATOM 1992 CG PRO A 160 137.354 202.230 179.226 1.00 57.25 C +ATOM 1993 CD PRO A 160 137.598 202.083 180.694 1.00 58.67 C +ATOM 1994 HA PRO A 160 135.246 200.495 179.781 1.00 75.35 H +ATOM 1995 HB2 PRO A 160 137.784 200.344 178.579 1.00 83.63 H +ATOM 1996 HB3 PRO A 160 136.440 200.933 177.946 1.00 83.63 H +ATOM 1997 HG2 PRO A 160 138.158 202.531 178.775 1.00 68.70 H +ATOM 1998 HG3 PRO A 160 136.620 202.842 179.062 1.00 68.70 H +ATOM 1999 HD2 PRO A 160 138.529 201.871 180.863 1.00 70.40 H +ATOM 2000 HD3 PRO A 160 137.325 202.886 181.164 1.00 70.40 H +ATOM 2001 N THR A 161 137.468 198.293 180.482 1.00 71.47 N +ATOM 2002 CA THR A 161 137.715 196.866 180.638 1.00 69.08 C +ATOM 2003 C THR A 161 138.342 196.603 182.004 1.00 64.82 C +ATOM 2004 O THR A 161 138.824 197.530 182.653 1.00 64.73 O +ATOM 2005 CB THR A 161 138.643 196.317 179.534 1.00 68.08 C +ATOM 2006 OG1 THR A 161 140.000 196.671 179.823 1.00 65.10 O +ATOM 2007 CG2 THR A 161 138.252 196.869 178.172 1.00 86.01 C +ATOM 2008 H THR A 161 138.106 198.791 180.774 1.00 85.76 H +ATOM 2009 HA THR A 161 136.872 196.388 180.593 1.00 82.89 H +ATOM 2010 HB THR A 161 138.565 195.351 179.503 1.00 81.70 H +ATOM 2011 HG1 THR A 161 140.508 196.374 179.223 1.00 78.13 H +ATOM 2012 HG21 THR A 161 138.844 196.515 177.490 1.00103.21 H +ATOM 2013 HG22 THR A 161 137.340 196.615 177.961 1.00103.21 H +ATOM 2014 HG23 THR A 161 138.318 197.837 178.175 1.00103.21 H +ATOM 2015 N PRO A 162 138.328 195.337 182.449 1.00 55.40 N +ATOM 2016 CA PRO A 162 138.926 194.959 183.734 1.00 55.60 C +ATOM 2017 C PRO A 162 140.382 195.396 183.880 1.00 53.80 C +ATOM 2018 O PRO A 162 140.789 195.801 184.968 1.00 57.61 O +ATOM 2019 CB PRO A 162 138.816 193.433 183.726 1.00 51.92 C +ATOM 2020 CG PRO A 162 137.629 193.157 182.887 1.00 59.06 C +ATOM 2021 CD PRO A 162 137.644 194.198 181.812 1.00 51.55 C +ATOM 2022 HA PRO A 162 138.405 195.318 184.469 1.00 66.72 H +ATOM 2023 HB2 PRO A 162 139.614 193.048 183.333 1.00 62.30 H +ATOM 2024 HB3 PRO A 162 138.683 193.108 184.630 1.00 62.30 H +ATOM 2025 HG2 PRO A 162 137.701 192.269 182.504 1.00 70.87 H +ATOM 2026 HG3 PRO A 162 136.826 193.234 183.426 1.00 70.87 H +ATOM 2027 HD2 PRO A 162 138.149 193.885 181.046 1.00 61.86 H +ATOM 2028 HD3 PRO A 162 136.738 194.442 181.565 1.00 61.86 H +ATOM 2029 N LEU A 163 141.147 195.317 182.796 1.00 47.59 N +ATOM 2030 CA LEU A 163 142.568 195.647 182.829 1.00 42.67 C +ATOM 2031 C LEU A 163 142.823 197.121 182.542 1.00 44.41 C +ATOM 2032 O LEU A 163 143.930 197.616 182.745 1.00 51.58 O +ATOM 2033 CB LEU A 163 143.332 194.791 181.820 1.00 46.38 C +ATOM 2034 CG LEU A 163 143.247 193.280 182.033 1.00 53.79 C +ATOM 2035 CD1 LEU A 163 143.952 192.555 180.908 1.00 66.68 C +ATOM 2036 CD2 LEU A 163 143.835 192.879 183.376 1.00 48.44 C +ATOM 2037 H LEU A 163 140.864 195.072 182.021 1.00 57.11 H +ATOM 2038 HA LEU A 163 142.916 195.450 183.713 1.00 51.20 H +ATOM 2039 HB2 LEU A 163 142.984 194.979 180.935 1.00 55.66 H +ATOM 2040 HB3 LEU A 163 144.269 195.037 181.858 1.00 55.66 H +ATOM 2041 HG LEU A 163 142.314 193.012 182.024 1.00 64.55 H +ATOM 2042 HD11 LEU A 163 143.888 191.599 181.059 1.00 80.02 H +ATOM 2043 HD12 LEU A 163 143.525 192.786 180.068 1.00 80.02 H +ATOM 2044 HD13 LEU A 163 144.883 192.826 180.892 1.00 80.02 H +ATOM 2045 HD21 LEU A 163 143.765 191.917 183.477 1.00 58.13 H +ATOM 2046 HD22 LEU A 163 144.767 193.148 183.404 1.00 58.13 H +ATOM 2047 HD23 LEU A 163 143.341 193.324 184.082 1.00 58.13 H +ATOM 2048 N GLY A 164 141.794 197.815 182.068 1.00 54.65 N +ATOM 2049 CA GLY A 164 141.906 199.222 181.735 1.00 65.16 C +ATOM 2050 C GLY A 164 141.071 199.544 180.512 1.00 66.46 C +ATOM 2051 O GLY A 164 139.871 199.784 180.621 1.00 63.99 O +ATOM 2052 H GLY A 164 141.012 197.485 181.929 1.00 65.58 H +ATOM 2053 HA2 GLY A 164 141.595 199.762 182.478 1.00 78.19 H +ATOM 2054 HA3 GLY A 164 142.832 199.445 181.550 1.00 78.19 H +ATOM 2055 N VAL A 165 141.715 199.545 179.347 1.00 74.31 N +ATOM 2056 CA VAL A 165 141.029 199.749 178.074 1.00 66.99 C +ATOM 2057 C VAL A 165 141.211 198.536 177.167 1.00 63.01 C +ATOM 2058 O VAL A 165 140.345 198.223 176.352 1.00 70.51 O +ATOM 2059 CB VAL A 165 141.538 201.013 177.344 1.00 64.02 C +ATOM 2060 CG1 VAL A 165 141.205 202.261 178.146 1.00 52.31 C +ATOM 2061 CG2 VAL A 165 143.037 200.925 177.084 1.00 50.79 C +ATOM 2062 H VAL A 165 142.563 199.427 179.267 1.00 89.17 H +ATOM 2063 HA VAL A 165 140.080 199.860 178.241 1.00 80.39 H +ATOM 2064 HB VAL A 165 141.090 201.082 176.487 1.00 76.83 H +ATOM 2065 HG11 VAL A 165 141.534 203.039 177.669 1.00 62.77 H +ATOM 2066 HG12 VAL A 165 140.243 202.320 178.254 1.00 62.77 H +ATOM 2067 HG13 VAL A 165 141.632 202.201 179.015 1.00 62.77 H +ATOM 2068 HG21 VAL A 165 143.325 201.730 176.626 1.00 60.95 H +ATOM 2069 HG22 VAL A 165 143.500 200.842 177.932 1.00 60.95 H +ATOM 2070 HG23 VAL A 165 143.216 200.148 176.531 1.00 60.95 H +ATOM 2071 N LYS A 166 142.341 197.855 177.319 1.00 68.77 N +ATOM 2072 CA LYS A 166 142.659 196.691 176.499 1.00 61.32 C +ATOM 2073 C LYS A 166 141.812 195.479 176.881 1.00 61.61 C +ATOM 2074 O LYS A 166 141.258 195.417 177.978 1.00 59.30 O +ATOM 2075 CB LYS A 166 144.144 196.346 176.628 1.00 65.83 C +ATOM 2076 CG LYS A 166 145.085 197.425 176.115 1.00 65.71 C +ATOM 2077 CD LYS A 166 145.023 197.541 174.602 1.00 90.54 C +ATOM 2078 CE LYS A 166 146.063 198.514 174.074 1.00 90.32 C +ATOM 2079 NZ LYS A 166 146.056 198.577 172.585 1.00112.55 N +ATOM 2080 H LYS A 166 142.948 198.049 177.897 1.00 82.52 H +ATOM 2081 HA LYS A 166 142.479 196.902 175.569 1.00 73.58 H +ATOM 2082 HB2 LYS A 166 144.349 196.197 177.564 1.00 78.99 H +ATOM 2083 HB3 LYS A 166 144.320 195.537 176.122 1.00 78.99 H +ATOM 2084 HG2 LYS A 166 144.830 198.280 176.496 1.00 78.85 H +ATOM 2085 HG3 LYS A 166 145.995 197.203 176.366 1.00 78.85 H +ATOM 2086 HD2 LYS A 166 145.193 196.671 174.208 1.00108.64 H +ATOM 2087 HD3 LYS A 166 144.146 197.862 174.341 1.00108.64 H +ATOM 2088 HE2 LYS A 166 145.872 199.402 174.415 1.00108.39 H +ATOM 2089 HE3 LYS A 166 146.944 198.227 174.360 1.00108.39 H +ATOM 2090 HZ1 LYS A 166 146.672 199.153 172.302 1.00135.07 H +ATOM 2091 HZ2 LYS A 166 146.233 197.774 172.245 1.00135.07 H +ATOM 2092 HZ3 LYS A 166 145.257 198.843 172.296 1.00135.07 H +ATOM 2093 N GLY A 167 141.717 194.520 175.966 1.00 65.42 N +ATOM 2094 CA GLY A 167 140.991 193.289 176.218 1.00 69.61 C +ATOM 2095 C GLY A 167 139.496 193.431 176.004 1.00 71.50 C +ATOM 2096 O GLY A 167 139.007 194.508 175.664 1.00 70.16 O +ATOM 2097 H GLY A 167 142.070 194.563 175.183 1.00 78.50 H +ATOM 2098 HA2 GLY A 167 141.320 192.595 175.625 1.00 83.53 H +ATOM 2099 HA3 GLY A 167 141.144 193.007 177.133 1.00 83.53 H +ATOM 2100 N LYS A 168 138.772 192.334 176.201 1.00 78.61 N +ATOM 2101 CA LYS A 168 137.318 192.338 176.096 1.00 65.04 C +ATOM 2102 C LYS A 168 136.703 192.853 177.393 1.00 76.83 C +ATOM 2103 O LYS A 168 137.400 193.020 178.394 1.00 81.18 O +ATOM 2104 CB LYS A 168 136.797 190.935 175.780 1.00 60.13 C +ATOM 2105 H LYS A 168 139.104 191.566 176.400 1.00 94.33 H +ATOM 2106 HA LYS A 168 137.051 192.931 175.376 1.00 78.04 H +ATOM 2107 N LYS A 169 135.398 193.105 177.372 1.00 78.44 N +ATOM 2108 CA LYS A 169 134.699 193.616 178.546 1.00 76.28 C +ATOM 2109 C LYS A 169 134.750 192.605 179.687 1.00 70.36 C +ATOM 2110 O LYS A 169 134.748 192.977 180.860 1.00 74.67 O +ATOM 2111 CB LYS A 169 133.246 193.948 178.204 1.00 76.14 C +ATOM 2112 H LYS A 169 134.892 192.989 176.686 1.00 94.13 H +ATOM 2113 HA LYS A 169 135.133 194.431 178.845 1.00 91.54 H +ATOM 2114 N GLN A 170 134.794 191.327 179.326 1.00 59.21 N +ATOM 2115 CA GLN A 170 134.849 190.240 180.298 1.00 66.49 C +ATOM 2116 C GLN A 170 136.098 189.399 180.071 1.00 72.16 C +ATOM 2117 O GLN A 170 136.393 189.006 178.941 1.00 62.43 O +ATOM 2118 CB GLN A 170 133.597 189.367 180.193 1.00 69.07 C +ATOM 2119 CG GLN A 170 133.462 188.330 181.296 1.00 80.28 C +ATOM 2120 CD GLN A 170 132.328 187.357 181.041 1.00 90.68 C +ATOM 2121 OE1 GLN A 170 132.421 186.495 180.167 1.00 95.33 O +ATOM 2122 NE2 GLN A 170 131.248 187.494 181.801 1.00 93.26 N +ATOM 2123 H GLN A 170 134.792 191.059 178.509 1.00 71.05 H +ATOM 2124 HA GLN A 170 134.889 190.612 181.193 1.00 79.79 H +ATOM 2125 HB2 GLN A 170 132.815 189.940 180.231 1.00 82.89 H +ATOM 2126 HB3 GLN A 170 133.616 188.896 179.346 1.00 82.89 H +ATOM 2127 HG2 GLN A 170 134.287 187.823 181.355 1.00 96.33 H +ATOM 2128 HG3 GLN A 170 133.288 188.782 182.136 1.00 96.33 H +ATOM 2129 HE21 GLN A 170 131.219 188.110 182.400 1.00111.91 H +ATOM 2130 HE22 GLN A 170 130.578 186.965 181.695 1.00111.91 H +ATOM 2131 N LEU A 171 136.834 189.135 181.145 1.00 67.16 N +ATOM 2132 CA LEU A 171 138.034 188.315 181.053 1.00 53.80 C +ATOM 2133 C LEU A 171 137.657 186.867 180.759 1.00 52.95 C +ATOM 2134 O LEU A 171 136.572 186.420 181.130 1.00 57.54 O +ATOM 2135 CB LEU A 171 138.846 188.398 182.346 1.00 64.38 C +ATOM 2136 CG LEU A 171 139.539 189.735 182.609 1.00 53.67 C +ATOM 2137 CD1 LEU A 171 139.977 189.834 184.061 1.00 53.34 C +ATOM 2138 CD2 LEU A 171 140.730 189.916 181.676 1.00 65.38 C +ATOM 2139 H LEU A 171 136.660 189.420 181.937 1.00 80.59 H +ATOM 2140 HA LEU A 171 138.588 188.638 180.325 1.00 64.56 H +ATOM 2141 HB2 LEU A 171 138.251 188.228 183.093 1.00 77.26 H +ATOM 2142 HB3 LEU A 171 139.534 187.715 182.319 1.00 77.26 H +ATOM 2143 HG LEU A 171 138.912 190.455 182.436 1.00 64.41 H +ATOM 2144 HD11 LEU A 171 140.413 190.689 184.202 1.00 64.01 H +ATOM 2145 HD12 LEU A 171 139.195 189.762 184.631 1.00 64.01 H +ATOM 2146 HD13 LEU A 171 140.595 189.111 184.254 1.00 64.01 H +ATOM 2147 HD21 LEU A 171 141.151 190.770 181.864 1.00 78.46 H +ATOM 2148 HD22 LEU A 171 141.362 189.196 181.828 1.00 78.46 H +ATOM 2149 HD23 LEU A 171 140.418 189.895 180.758 1.00 78.46 H +ATOM 2150 N PRO A 172 138.550 186.128 180.084 1.00 54.81 N +ATOM 2151 CA PRO A 172 138.274 184.722 179.765 1.00 56.43 C +ATOM 2152 C PRO A 172 138.013 183.874 181.007 1.00 57.59 C +ATOM 2153 O PRO A 172 138.494 184.205 182.089 1.00 60.61 O +ATOM 2154 CB PRO A 172 139.549 184.263 179.044 1.00 57.18 C +ATOM 2155 CG PRO A 172 140.577 185.303 179.340 1.00 60.11 C +ATOM 2156 CD PRO A 172 139.844 186.573 179.541 1.00 55.69 C +ATOM 2157 HA PRO A 172 137.518 184.653 179.161 1.00 67.72 H +ATOM 2158 HB2 PRO A 172 139.826 183.401 179.391 1.00 68.61 H +ATOM 2159 HB3 PRO A 172 139.382 184.210 178.090 1.00 68.61 H +ATOM 2160 HG2 PRO A 172 141.061 185.059 180.144 1.00 72.13 H +ATOM 2161 HG3 PRO A 172 141.186 185.378 178.588 1.00 72.13 H +ATOM 2162 HD2 PRO A 172 140.307 187.133 180.184 1.00 66.83 H +ATOM 2163 HD3 PRO A 172 139.718 187.029 178.695 1.00 66.83 H +ATOM 2164 N ASP A 173 137.246 182.800 180.843 1.00 62.51 N +ATOM 2165 CA ASP A 173 136.974 181.873 181.935 1.00 63.35 C +ATOM 2166 C ASP A 173 138.282 181.322 182.492 1.00 62.54 C +ATOM 2167 O ASP A 173 139.142 180.867 181.739 1.00 60.75 O +ATOM 2168 CB ASP A 173 136.070 180.735 181.456 1.00 66.49 C +ATOM 2169 CG ASP A 173 136.017 179.581 182.435 1.00 70.72 C +ATOM 2170 OD1 ASP A 173 136.747 178.590 182.226 1.00 72.00 O +ATOM 2171 OD2 ASP A 173 135.248 179.665 183.414 1.00 73.60 O +ATOM 2172 H ASP A 173 136.868 182.586 180.101 1.00 75.01 H +ATOM 2173 HA ASP A 173 136.515 182.344 182.648 1.00 76.02 H +ATOM 2174 HB2 ASP A 173 135.168 181.074 181.342 1.00 79.79 H +ATOM 2175 HB3 ASP A 173 136.407 180.397 180.611 1.00 79.79 H +ATOM 2176 N SER A 174 138.428 181.369 183.812 1.00 63.55 N +ATOM 2177 CA SER A 174 139.697 181.036 184.450 1.00 65.30 C +ATOM 2178 C SER A 174 139.991 179.538 184.409 1.00 67.26 C +ATOM 2179 O SER A 174 141.140 179.134 184.241 1.00 60.28 O +ATOM 2180 CB SER A 174 139.709 181.534 185.899 1.00 68.81 C +ATOM 2181 OG SER A 174 138.604 181.029 186.628 1.00 66.45 O +ATOM 2182 H SER A 174 137.806 181.592 184.363 1.00 76.26 H +ATOM 2183 HA SER A 174 140.412 181.489 183.977 1.00 78.36 H +ATOM 2184 HB2 SER A 174 140.528 181.239 186.326 1.00 82.57 H +ATOM 2185 HB3 SER A 174 139.668 182.503 185.898 1.00 82.57 H +ATOM 2186 HG SER A 174 138.628 181.313 187.419 1.00 79.74 H +ATOM 2187 N ASN A 175 138.958 178.716 184.560 1.00 73.35 N +ATOM 2188 CA ASN A 175 139.129 177.268 184.497 1.00 68.62 C +ATOM 2189 C ASN A 175 139.548 176.823 183.099 1.00 69.56 C +ATOM 2190 O ASN A 175 140.256 175.828 182.937 1.00 53.72 O +ATOM 2191 CB ASN A 175 137.842 176.555 184.913 1.00 66.77 C +ATOM 2192 CG ASN A 175 137.879 175.067 184.623 1.00 65.92 C +ATOM 2193 OD1 ASN A 175 138.575 174.307 185.296 1.00 67.08 O +ATOM 2194 ND2 ASN A 175 137.120 174.643 183.620 1.00 80.34 N +ATOM 2195 H ASN A 175 138.148 178.970 184.699 1.00 88.02 H +ATOM 2196 HA ASN A 175 139.829 177.007 185.116 1.00 82.35 H +ATOM 2197 HB2 ASN A 175 137.709 176.672 185.866 1.00 80.13 H +ATOM 2198 HB3 ASN A 175 137.097 176.938 184.424 1.00 80.13 H +ATOM 2199 HD21 ASN A 175 137.105 173.807 183.415 1.00 96.41 H +ATOM 2200 HD22 ASN A 175 136.643 175.203 183.175 1.00 96.41 H +ATOM 2201 N GLU A 176 139.109 177.570 182.092 1.00 76.73 N +ATOM 2202 CA GLU A 176 139.490 177.298 180.713 1.00 64.23 C +ATOM 2203 C GLU A 176 140.961 177.637 180.487 1.00 62.24 C +ATOM 2204 O GLU A 176 141.671 176.907 179.797 1.00 58.26 O +ATOM 2205 CB GLU A 176 138.603 178.088 179.751 1.00 76.01 C +ATOM 2206 CG GLU A 176 138.859 177.792 178.282 1.00 83.53 C +ATOM 2207 CD GLU A 176 137.820 178.414 177.367 1.00 95.75 C +ATOM 2208 OE1 GLU A 176 136.782 178.893 177.873 1.00 87.57 O +ATOM 2209 OE2 GLU A 176 138.041 178.424 176.139 1.00 95.54 O +ATOM 2210 H GLU A 176 138.585 178.246 182.183 1.00 92.08 H +ATOM 2211 HA GLU A 176 139.366 176.354 180.530 1.00 77.07 H +ATOM 2212 HB2 GLU A 176 137.675 177.876 179.938 1.00 91.22 H +ATOM 2213 HB3 GLU A 176 138.757 179.036 179.892 1.00 91.22 H +ATOM 2214 HG2 GLU A 176 139.727 178.147 178.035 1.00100.24 H +ATOM 2215 HG3 GLU A 176 138.842 176.832 178.146 1.00100.24 H +ATOM 2216 N ILE A 177 141.409 178.745 181.070 1.00 61.98 N +ATOM 2217 CA ILE A 177 142.816 179.123 181.015 1.00 56.22 C +ATOM 2218 C ILE A 177 143.673 178.016 181.610 1.00 55.60 C +ATOM 2219 O ILE A 177 144.722 177.674 181.071 1.00 54.01 O +ATOM 2220 CB ILE A 177 143.086 180.443 181.772 1.00 50.18 C +ATOM 2221 CG1 ILE A 177 142.468 181.620 181.016 1.00 59.00 C +ATOM 2222 CG2 ILE A 177 144.595 180.675 181.957 1.00 47.43 C +ATOM 2223 CD1 ILE A 177 142.566 182.941 181.744 1.00 57.72 C +ATOM 2224 H ILE A 177 140.915 179.297 181.507 1.00 74.38 H +ATOM 2225 HA ILE A 177 143.078 179.245 180.089 1.00 67.46 H +ATOM 2226 HB ILE A 177 142.673 180.387 182.648 1.00 60.21 H +ATOM 2227 HG12 ILE A 177 142.922 181.716 180.165 1.00 70.79 H +ATOM 2228 HG13 ILE A 177 141.527 181.434 180.866 1.00 70.79 H +ATOM 2229 HG21 ILE A 177 144.730 181.509 182.434 1.00 56.91 H +ATOM 2230 HG22 ILE A 177 144.967 179.938 182.467 1.00 56.91 H +ATOM 2231 HG23 ILE A 177 145.017 180.721 181.085 1.00 56.91 H +ATOM 2232 HD11 ILE A 177 142.153 183.631 181.201 1.00 69.26 H +ATOM 2233 HD12 ILE A 177 142.104 182.867 182.594 1.00 69.26 H +ATOM 2234 HD13 ILE A 177 143.501 183.151 181.892 1.00 69.26 H +ATOM 2235 N VAL A 178 143.220 177.463 182.727 1.00 54.10 N +ATOM 2236 CA VAL A 178 143.979 176.441 183.434 1.00 55.28 C +ATOM 2237 C VAL A 178 144.139 175.187 182.584 1.00 54.91 C +ATOM 2238 O VAL A 178 145.258 174.753 182.307 1.00 56.28 O +ATOM 2239 CB VAL A 178 143.306 176.075 184.771 1.00 69.37 C +ATOM 2240 CG1 VAL A 178 143.930 174.831 185.381 1.00 56.52 C +ATOM 2241 CG2 VAL A 178 143.410 177.239 185.742 1.00 61.84 C +ATOM 2242 H VAL A 178 142.470 177.663 183.099 1.00 64.92 H +ATOM 2243 HA VAL A 178 144.865 176.785 183.629 1.00 66.33 H +ATOM 2244 HB VAL A 178 142.366 175.896 184.615 1.00 83.24 H +ATOM 2245 HG11 VAL A 178 143.482 174.632 186.219 1.00 67.82 H +ATOM 2246 HG12 VAL A 178 143.823 174.090 184.764 1.00 67.82 H +ATOM 2247 HG13 VAL A 178 144.872 174.996 185.540 1.00 67.82 H +ATOM 2248 HG21 VAL A 178 142.982 176.993 186.577 1.00 74.21 H +ATOM 2249 HG22 VAL A 178 144.347 177.439 185.897 1.00 74.21 H +ATOM 2250 HG23 VAL A 178 142.966 178.011 185.358 1.00 74.21 H +ATOM 2251 N GLU A 179 143.016 174.607 182.177 1.00 59.46 N +ATOM 2252 CA GLU A 179 143.023 173.358 181.425 1.00 60.89 C +ATOM 2253 C GLU A 179 143.768 173.492 180.099 1.00 54.91 C +ATOM 2254 O GLU A 179 144.574 172.634 179.742 1.00 57.93 O +ATOM 2255 CB GLU A 179 141.588 172.889 181.176 1.00 63.50 C +ATOM 2256 CG GLU A 179 140.848 172.506 182.450 1.00 82.54 C +ATOM 2257 CD GLU A 179 139.427 172.040 182.192 1.00 87.48 C +ATOM 2258 OE1 GLU A 179 138.902 172.297 181.087 1.00 67.99 O +ATOM 2259 OE2 GLU A 179 138.835 171.413 183.097 1.00 95.96 O +ATOM 2260 H GLU A 179 142.229 174.920 182.326 1.00 71.35 H +ATOM 2261 HA GLU A 179 143.472 172.678 181.951 1.00 73.06 H +ATOM 2262 HB2 GLU A 179 141.093 173.605 180.748 1.00 76.20 H +ATOM 2263 HB3 GLU A 179 141.608 172.110 180.598 1.00 76.20 H +ATOM 2264 HG2 GLU A 179 141.325 171.784 182.887 1.00 99.05 H +ATOM 2265 HG3 GLU A 179 140.808 173.279 183.035 1.00 99.05 H +ATOM 2266 N LYS A 180 143.505 174.576 179.381 1.00 59.18 N +ATOM 2267 CA LYS A 180 144.096 174.783 178.063 1.00 60.20 C +ATOM 2268 C LYS A 180 145.592 175.094 178.119 1.00 61.30 C +ATOM 2269 O LYS A 180 146.331 174.731 177.204 1.00 67.92 O +ATOM 2270 CB LYS A 180 143.376 175.920 177.334 1.00 73.00 C +ATOM 2271 CG LYS A 180 141.904 175.666 177.051 1.00 70.72 C +ATOM 2272 CD LYS A 180 141.704 174.741 175.861 1.00 88.61 C +ATOM 2273 CE LYS A 180 140.258 174.751 175.384 1.00 79.22 C +ATOM 2274 NZ LYS A 180 139.811 176.111 174.962 1.00 77.46 N +ATOM 2275 H LYS A 180 142.985 175.212 179.635 1.00 71.01 H +ATOM 2276 HA LYS A 180 143.980 173.974 177.539 1.00 72.24 H +ATOM 2277 HB2 LYS A 180 143.436 176.721 177.877 1.00 87.60 H +ATOM 2278 HB3 LYS A 180 143.816 176.069 176.483 1.00 87.60 H +ATOM 2279 HG2 LYS A 180 141.497 175.252 177.828 1.00 84.86 H +ATOM 2280 HG3 LYS A 180 141.468 176.510 176.855 1.00 84.86 H +ATOM 2281 HD2 LYS A 180 142.268 175.035 175.129 1.00106.34 H +ATOM 2282 HD3 LYS A 180 141.933 173.834 176.118 1.00106.34 H +ATOM 2283 HE2 LYS A 180 140.170 174.155 174.624 1.00 95.06 H +ATOM 2284 HE3 LYS A 180 139.683 174.456 176.108 1.00 95.06 H +ATOM 2285 HZ1 LYS A 180 138.964 176.081 174.690 1.00 92.96 H +ATOM 2286 HZ2 LYS A 180 139.876 176.678 175.645 1.00 92.96 H +ATOM 2287 HZ3 LYS A 180 140.320 176.403 174.293 1.00 92.96 H +ATOM 2288 N LEU A 181 146.035 175.761 179.185 1.00 59.47 N +ATOM 2289 CA LEU A 181 147.392 176.317 179.231 1.00 60.96 C +ATOM 2290 C LEU A 181 148.253 175.858 180.407 1.00 57.41 C +ATOM 2291 O LEU A 181 149.466 175.724 180.263 1.00 52.87 O +ATOM 2292 CB LEU A 181 147.320 177.845 179.256 1.00 49.93 C +ATOM 2293 CG LEU A 181 146.684 178.508 178.035 1.00 55.32 C +ATOM 2294 CD1 LEU A 181 146.423 179.974 178.307 1.00 54.33 C +ATOM 2295 CD2 LEU A 181 147.578 178.343 176.819 1.00 65.77 C +ATOM 2296 H LEU A 181 145.572 175.906 179.894 1.00 71.36 H +ATOM 2297 HA LEU A 181 147.854 176.060 178.418 1.00 73.16 H +ATOM 2298 HB2 LEU A 181 146.804 178.114 180.032 1.00 59.91 H +ATOM 2299 HB3 LEU A 181 148.223 178.191 179.335 1.00 59.91 H +ATOM 2300 HG LEU A 181 145.834 178.079 177.846 1.00 66.38 H +ATOM 2301 HD11 LEU A 181 146.020 180.374 177.521 1.00 65.20 H +ATOM 2302 HD12 LEU A 181 145.822 180.052 179.064 1.00 65.20 H +ATOM 2303 HD13 LEU A 181 147.266 180.412 178.507 1.00 65.20 H +ATOM 2304 HD21 LEU A 181 147.156 178.770 176.057 1.00 78.92 H +ATOM 2305 HD22 LEU A 181 148.435 178.760 176.999 1.00 78.92 H +ATOM 2306 HD23 LEU A 181 147.700 177.397 176.643 1.00 78.92 H +ATOM 2307 N LEU A 182 147.642 175.632 181.567 1.00 59.57 N +ATOM 2308 CA LEU A 182 148.407 175.408 182.795 1.00 52.31 C +ATOM 2309 C LEU A 182 148.403 173.956 183.260 1.00 49.68 C +ATOM 2310 O LEU A 182 149.344 173.504 183.911 1.00 51.45 O +ATOM 2311 CB LEU A 182 147.864 176.296 183.920 1.00 55.88 C +ATOM 2312 CG LEU A 182 147.791 177.797 183.627 1.00 63.70 C +ATOM 2313 CD1 LEU A 182 147.380 178.556 184.879 1.00 63.82 C +ATOM 2314 CD2 LEU A 182 149.113 178.329 183.086 1.00 66.24 C +ATOM 2315 H LEU A 182 146.789 175.603 181.672 1.00 71.48 H +ATOM 2316 HA LEU A 182 149.329 175.663 182.637 1.00 62.77 H +ATOM 2317 HB2 LEU A 182 146.966 176.000 184.133 1.00 67.06 H +ATOM 2318 HB3 LEU A 182 148.433 176.182 184.697 1.00 67.06 H +ATOM 2319 HG LEU A 182 147.112 177.951 182.951 1.00 76.44 H +ATOM 2320 HD11 LEU A 182 147.339 179.504 184.675 1.00 76.59 H +ATOM 2321 HD12 LEU A 182 146.509 178.241 185.167 1.00 76.59 H +ATOM 2322 HD13 LEU A 182 148.036 178.396 185.575 1.00 76.59 H +ATOM 2323 HD21 LEU A 182 149.024 179.280 182.914 1.00 79.49 H +ATOM 2324 HD22 LEU A 182 149.808 178.175 183.745 1.00 79.49 H +ATOM 2325 HD23 LEU A 182 149.328 177.863 182.263 1.00 79.49 H +ATOM 2326 N LEU A 183 147.346 173.227 182.925 1.00 54.63 N +ATOM 2327 CA LEU A 183 147.167 171.870 183.426 1.00 61.64 C +ATOM 2328 C LEU A 183 148.178 170.895 182.822 1.00 61.19 C +ATOM 2329 O LEU A 183 148.363 170.847 181.604 1.00 65.85 O +ATOM 2330 CB LEU A 183 145.742 171.399 183.141 1.00 59.93 C +ATOM 2331 CG LEU A 183 145.326 170.036 183.696 1.00 57.96 C +ATOM 2332 CD1 LEU A 183 145.483 169.981 185.211 1.00 73.69 C +ATOM 2333 CD2 LEU A 183 143.892 169.751 183.297 1.00 56.18 C +ATOM 2334 H LEU A 183 146.715 173.496 182.406 1.00 65.56 H +ATOM 2335 HA LEU A 183 147.294 171.872 184.387 1.00 73.96 H +ATOM 2336 HB2 LEU A 183 145.129 172.054 183.511 1.00 71.91 H +ATOM 2337 HB3 LEU A 183 145.624 171.361 182.179 1.00 71.91 H +ATOM 2338 HG LEU A 183 145.890 169.349 183.309 1.00 69.55 H +ATOM 2339 HD11 LEU A 183 145.211 169.105 185.525 1.00 88.43 H +ATOM 2340 HD12 LEU A 183 146.413 170.140 185.438 1.00 88.43 H +ATOM 2341 HD13 LEU A 183 144.924 170.665 185.611 1.00 88.43 H +ATOM 2342 HD21 LEU A 183 143.633 168.886 183.651 1.00 67.42 H +ATOM 2343 HD22 LEU A 183 143.319 170.443 183.662 1.00 67.42 H +ATOM 2344 HD23 LEU A 183 143.830 169.745 182.329 1.00 67.42 H +ATOM 2345 N ARG A 184 148.826 170.118 183.685 1.00 56.50 N +ATOM 2346 CA ARG A 184 149.840 169.157 183.262 1.00 62.42 C +ATOM 2347 C ARG A 184 149.259 168.011 182.445 1.00 59.78 C +ATOM 2348 O ARG A 184 148.260 167.405 182.829 1.00 60.66 O +ATOM 2349 CB ARG A 184 150.568 168.586 184.481 1.00 58.47 C +ATOM 2350 CG ARG A 184 151.513 167.432 184.168 1.00 56.67 C +ATOM 2351 CD ARG A 184 152.224 166.958 185.419 1.00 59.65 C +ATOM 2352 NE ARG A 184 153.062 168.003 185.999 1.00 60.27 N +ATOM 2353 CZ ARG A 184 153.606 167.941 187.209 1.00 56.48 C +ATOM 2354 NH1 ARG A 184 153.398 166.885 187.984 1.00 67.46 N +ATOM 2355 NH2 ARG A 184 154.356 168.940 187.649 1.00 54.69 N +ATOM 2356 H ARG A 184 148.693 170.129 184.535 1.00 67.80 H +ATOM 2357 HA ARG A 184 150.494 169.614 182.711 1.00 74.91 H +ATOM 2358 HB2 ARG A 184 151.091 169.293 184.889 1.00 70.16 H +ATOM 2359 HB3 ARG A 184 149.907 168.262 185.113 1.00 70.16 H +ATOM 2360 HG2 ARG A 184 151.006 166.690 183.805 1.00 68.00 H +ATOM 2361 HG3 ARG A 184 152.182 167.728 183.531 1.00 68.00 H +ATOM 2362 HD2 ARG A 184 151.564 166.697 186.081 1.00 71.58 H +ATOM 2363 HD3 ARG A 184 152.791 166.203 185.196 1.00 71.58 H +ATOM 2364 HE ARG A 184 153.215 168.704 185.525 1.00 72.32 H +ATOM 2365 HH11 ARG A 184 152.912 166.234 187.702 1.00 80.96 H +ATOM 2366 HH12 ARG A 184 153.751 166.849 188.767 1.00 80.96 H +ATOM 2367 HH21 ARG A 184 154.492 169.628 187.150 1.00 65.63 H +ATOM 2368 HH22 ARG A 184 154.707 168.902 188.433 1.00 65.63 H +ATOM 2369 N ARG A 185 149.903 167.719 181.321 1.00 64.08 N +ATOM 2370 CA ARG A 185 149.569 166.551 180.514 1.00 70.83 C +ATOM 2371 C ARG A 185 150.542 165.421 180.840 1.00 58.23 C +ATOM 2372 O ARG A 185 150.147 164.383 181.365 1.00 68.62 O +ATOM 2373 CB ARG A 185 149.607 166.896 179.024 1.00 59.73 C +ATOM 2374 CG ARG A 185 148.393 167.689 178.557 1.00 61.32 C +ATOM 2375 CD ARG A 185 148.787 168.942 177.796 1.00 69.04 C +ATOM 2376 NE ARG A 185 147.617 169.655 177.288 1.00 78.03 N +ATOM 2377 CZ ARG A 185 146.887 170.511 177.997 1.00 82.61 C +ATOM 2378 NH1 ARG A 185 147.195 170.776 179.260 1.00 84.25 N +ATOM 2379 NH2 ARG A 185 145.841 171.107 177.441 1.00 85.43 N +ATOM 2380 H ARG A 185 150.548 168.189 181.000 1.00 76.89 H +ATOM 2381 HA ARG A 185 148.673 166.254 180.735 1.00 84.99 H +ATOM 2382 HB2 ARG A 185 150.398 167.429 178.845 1.00 71.67 H +ATOM 2383 HB3 ARG A 185 149.641 166.073 178.512 1.00 71.67 H +ATOM 2384 HG2 ARG A 185 147.858 167.134 177.969 1.00 73.58 H +ATOM 2385 HG3 ARG A 185 147.872 167.957 179.330 1.00 73.58 H +ATOM 2386 HD2 ARG A 185 149.271 169.537 178.389 1.00 82.84 H +ATOM 2387 HD3 ARG A 185 149.343 168.695 177.041 1.00 82.84 H +ATOM 2388 HE ARG A 185 147.384 169.510 176.473 1.00 93.64 H +ATOM 2389 HH11 ARG A 185 147.872 170.393 179.627 1.00101.10 H +ATOM 2390 HH12 ARG A 185 146.718 171.331 179.712 1.00101.10 H +ATOM 2391 HH21 ARG A 185 145.636 170.940 176.623 1.00102.51 H +ATOM 2392 HH22 ARG A 185 145.369 171.661 177.899 1.00102.51 H +ATOM 2393 N LYS A 186 151.814 165.638 180.524 1.00 64.79 N +ATOM 2394 CA LYS A 186 152.891 164.749 180.945 1.00 68.08 C +ATOM 2395 C LYS A 186 153.861 165.544 181.807 1.00 69.62 C +ATOM 2396 O LYS A 186 154.062 166.736 181.578 1.00 66.59 O +ATOM 2397 CB LYS A 186 153.606 164.143 179.734 1.00 76.73 C +ATOM 2398 CG LYS A 186 154.919 163.436 180.056 1.00 87.34 C +ATOM 2399 CD LYS A 186 155.584 162.908 178.792 1.00103.06 C +ATOM 2400 CE LYS A 186 157.065 162.628 179.011 1.00 99.73 C +ATOM 2401 NZ LYS A 186 157.772 162.332 177.735 1.00 83.56 N +ATOM 2402 H LYS A 186 152.085 166.307 180.056 1.00 77.75 H +ATOM 2403 HA LYS A 186 152.525 164.027 181.479 1.00 81.69 H +ATOM 2404 HB2 LYS A 186 153.016 163.493 179.321 1.00 92.07 H +ATOM 2405 HB3 LYS A 186 153.802 164.853 179.104 1.00 92.07 H +ATOM 2406 HG2 LYS A 186 155.526 164.062 180.481 1.00104.80 H +ATOM 2407 HG3 LYS A 186 154.744 162.685 180.645 1.00104.80 H +ATOM 2408 HD2 LYS A 186 155.155 162.079 178.527 1.00123.67 H +ATOM 2409 HD3 LYS A 186 155.501 163.569 178.088 1.00123.67 H +ATOM 2410 HE2 LYS A 186 157.481 163.407 179.414 1.00119.68 H +ATOM 2411 HE3 LYS A 186 157.161 161.859 179.595 1.00119.68 H +ATOM 2412 HZ1 LYS A 186 158.634 162.173 177.894 1.00100.27 H +ATOM 2413 HZ2 LYS A 186 157.413 161.616 177.347 1.00100.27 H +ATOM 2414 HZ3 LYS A 186 157.704 163.026 177.181 1.00100.27 H +ATOM 2415 N PHE A 187 154.452 164.889 182.801 1.00 60.27 N +ATOM 2416 CA PHE A 187 155.360 165.564 183.721 1.00 58.47 C +ATOM 2417 C PHE A 187 156.587 166.101 182.994 1.00 61.53 C +ATOM 2418 O PHE A 187 157.252 165.373 182.259 1.00 64.41 O +ATOM 2419 CB PHE A 187 155.795 164.619 184.843 1.00 66.07 C +ATOM 2420 CG PHE A 187 156.815 165.215 185.773 1.00 69.24 C +ATOM 2421 CD1 PHE A 187 156.439 166.135 186.737 1.00 74.90 C +ATOM 2422 CD2 PHE A 187 158.147 164.852 185.685 1.00 54.35 C +ATOM 2423 CE1 PHE A 187 157.374 166.686 187.594 1.00 63.32 C +ATOM 2424 CE2 PHE A 187 159.086 165.399 186.540 1.00 63.57 C +ATOM 2425 CZ PHE A 187 158.698 166.317 187.495 1.00 61.09 C +ATOM 2426 H PHE A 187 154.342 164.052 182.965 1.00 72.33 H +ATOM 2427 HA PHE A 187 154.899 166.316 184.124 1.00 70.17 H +ATOM 2428 HB2 PHE A 187 155.016 164.381 185.370 1.00 79.28 H +ATOM 2429 HB3 PHE A 187 156.182 163.822 184.449 1.00 79.28 H +ATOM 2430 HD1 PHE A 187 155.547 166.388 186.807 1.00 89.88 H +ATOM 2431 HD2 PHE A 187 158.415 164.235 185.043 1.00 65.23 H +ATOM 2432 HE1 PHE A 187 157.109 167.304 188.236 1.00 75.98 H +ATOM 2433 HE2 PHE A 187 159.979 165.149 186.471 1.00 76.28 H +ATOM 2434 HZ PHE A 187 159.328 166.686 188.071 1.00 73.30 H +ATOM 2435 N ILE A 188 156.875 167.380 183.214 1.00 55.85 N +ATOM 2436 CA ILE A 188 158.028 168.045 182.619 1.00 53.24 C +ATOM 2437 C ILE A 188 159.031 168.398 183.719 1.00 57.24 C +ATOM 2438 O ILE A 188 158.815 169.346 184.470 1.00 62.78 O +ATOM 2439 CB ILE A 188 157.615 169.323 181.866 1.00 47.89 C +ATOM 2440 CG1 ILE A 188 156.618 168.985 180.757 1.00 50.43 C +ATOM 2441 CG2 ILE A 188 158.839 170.015 181.270 1.00 47.09 C +ATOM 2442 CD1 ILE A 188 155.853 170.178 180.239 1.00 48.04 C +ATOM 2443 H ILE A 188 156.406 167.895 183.718 1.00 67.02 H +ATOM 2444 HA ILE A 188 158.459 167.444 181.991 1.00 63.89 H +ATOM 2445 HB ILE A 188 157.190 169.930 182.493 1.00 57.47 H +ATOM 2446 HG12 ILE A 188 157.101 168.596 180.011 1.00 60.51 H +ATOM 2447 HG13 ILE A 188 155.974 168.346 181.100 1.00 60.51 H +ATOM 2448 HG21 ILE A 188 158.552 170.815 180.802 1.00 56.51 H +ATOM 2449 HG22 ILE A 188 159.449 170.250 181.986 1.00 56.51 H +ATOM 2450 HG23 ILE A 188 159.274 169.407 180.651 1.00 56.51 H +ATOM 2451 HD11 ILE A 188 155.245 169.884 179.542 1.00 57.65 H +ATOM 2452 HD12 ILE A 188 155.353 170.574 180.970 1.00 57.65 H +ATOM 2453 HD13 ILE A 188 156.481 170.824 179.879 1.00 57.65 H +ATOM 2454 N PRO A 189 160.133 167.635 183.823 1.00 48.28 N +ATOM 2455 CA PRO A 189 161.099 167.901 184.894 1.00 45.42 C +ATOM 2456 C PRO A 189 161.921 169.160 184.649 1.00 54.61 C +ATOM 2457 O PRO A 189 162.135 169.548 183.501 1.00 64.36 O +ATOM 2458 CB PRO A 189 161.988 166.657 184.872 1.00 52.97 C +ATOM 2459 CG PRO A 189 161.942 166.204 183.466 1.00 56.38 C +ATOM 2460 CD PRO A 189 160.557 166.507 182.976 1.00 49.32 C +ATOM 2461 HA PRO A 189 160.650 167.965 185.751 1.00 54.50 H +ATOM 2462 HB2 PRO A 189 162.893 166.894 185.130 1.00 63.57 H +ATOM 2463 HB3 PRO A 189 161.625 165.982 185.466 1.00 63.57 H +ATOM 2464 HG2 PRO A 189 162.600 166.692 182.946 1.00 67.65 H +ATOM 2465 HG3 PRO A 189 162.116 165.251 183.426 1.00 67.65 H +ATOM 2466 HD2 PRO A 189 160.579 166.774 182.043 1.00 59.18 H +ATOM 2467 HD3 PRO A 189 159.975 165.743 183.114 1.00 59.18 H +ATOM 2468 N ASP A 190 162.379 169.782 185.728 1.00 58.68 N +ATOM 2469 CA ASP A 190 163.177 170.996 185.637 1.00 57.60 C +ATOM 2470 C ASP A 190 164.551 170.717 185.024 1.00 48.73 C +ATOM 2471 O ASP A 190 165.277 169.855 185.514 1.00 55.77 O +ATOM 2472 CB ASP A 190 163.343 171.617 187.024 1.00 54.95 C +ATOM 2473 CG ASP A 190 164.309 172.777 187.030 1.00 57.65 C +ATOM 2474 OD1 ASP A 190 164.357 173.517 186.026 1.00 67.82 O +ATOM 2475 OD2 ASP A 190 165.024 172.947 188.036 1.00 52.07 O +ATOM 2476 H ASP A 190 162.239 169.517 186.534 1.00 70.41 H +ATOM 2477 HA ASP A 190 162.718 171.637 185.072 1.00 69.12 H +ATOM 2478 HB2 ASP A 190 162.482 171.941 187.330 1.00 65.94 H +ATOM 2479 HB3 ASP A 190 163.680 170.942 187.634 1.00 65.94 H +ATOM 2480 N PRO A 191 164.920 171.443 183.951 1.00 52.86 N +ATOM 2481 CA PRO A 191 166.255 171.241 183.370 1.00 49.91 C +ATOM 2482 C PRO A 191 167.399 171.686 184.282 1.00 47.37 C +ATOM 2483 O PRO A 191 168.511 171.181 184.132 1.00 46.13 O +ATOM 2484 CB PRO A 191 166.215 172.093 182.095 1.00 61.41 C +ATOM 2485 CG PRO A 191 165.110 173.058 182.300 1.00 59.56 C +ATOM 2486 CD PRO A 191 164.101 172.352 183.131 1.00 58.78 C +ATOM 2487 HA PRO A 191 166.380 170.310 183.129 1.00 59.90 H +ATOM 2488 HB2 PRO A 191 167.059 172.558 181.987 1.00 73.70 H +ATOM 2489 HB3 PRO A 191 166.035 171.525 181.329 1.00 73.70 H +ATOM 2490 HG2 PRO A 191 165.446 173.841 182.763 1.00 71.47 H +ATOM 2491 HG3 PRO A 191 164.732 173.305 181.442 1.00 71.47 H +ATOM 2492 HD2 PRO A 191 163.626 172.982 183.696 1.00 70.54 H +ATOM 2493 HD3 PRO A 191 163.493 171.846 182.570 1.00 70.54 H +ATOM 2494 N GLN A 192 167.140 172.608 185.204 1.00 52.66 N +ATOM 2495 CA GLN A 192 168.164 173.040 186.153 1.00 42.67 C +ATOM 2496 C GLN A 192 168.370 172.002 187.251 1.00 43.82 C +ATOM 2497 O GLN A 192 169.262 172.140 188.087 1.00 43.63 O +ATOM 2498 CB GLN A 192 167.802 174.389 186.775 1.00 41.49 C +ATOM 2499 CG GLN A 192 167.913 175.556 185.809 1.00 48.04 C +ATOM 2500 CD GLN A 192 167.786 176.903 186.490 1.00 43.96 C +ATOM 2501 OE1 GLN A 192 167.014 177.756 186.056 1.00 47.90 O +ATOM 2502 NE2 GLN A 192 168.556 177.109 187.552 1.00 42.69 N +ATOM 2503 H GLN A 192 166.380 173.000 185.302 1.00 63.19 H +ATOM 2504 HA GLN A 192 169.004 173.145 185.681 1.00 51.20 H +ATOM 2505 HB2 GLN A 192 166.886 174.352 187.091 1.00 49.79 H +ATOM 2506 HB3 GLN A 192 168.400 174.561 187.518 1.00 49.79 H +ATOM 2507 HG2 GLN A 192 168.778 175.522 185.373 1.00 57.65 H +ATOM 2508 HG3 GLN A 192 167.205 175.487 185.149 1.00 57.65 H +ATOM 2509 HE21 GLN A 192 169.093 176.492 187.820 1.00 51.23 H +ATOM 2510 HE22 GLN A 192 168.519 177.859 187.971 1.00 51.23 H +ATOM 2511 N GLY A 193 167.536 170.967 187.251 1.00 42.78 N +ATOM 2512 CA GLY A 193 167.711 169.849 188.160 1.00 43.13 C +ATOM 2513 C GLY A 193 167.181 170.078 189.565 1.00 44.39 C +ATOM 2514 O GLY A 193 167.572 169.364 190.487 1.00 38.53 O +ATOM 2515 H GLY A 193 166.856 170.891 186.729 1.00 51.33 H +ATOM 2516 HA2 GLY A 193 167.261 169.072 187.793 1.00 51.75 H +ATOM 2517 HA3 GLY A 193 168.657 169.644 188.227 1.00 51.75 H +ATOM 2518 N SER A 194 166.295 171.057 189.735 1.00 37.60 N +ATOM 2519 CA SER A 194 165.733 171.354 191.052 1.00 39.15 C +ATOM 2520 C SER A 194 165.037 170.125 191.623 1.00 43.80 C +ATOM 2521 O SER A 194 164.348 169.408 190.900 1.00 45.53 O +ATOM 2522 CB SER A 194 164.746 172.522 190.978 1.00 38.56 C +ATOM 2523 OG SER A 194 165.350 173.680 190.430 1.00 38.74 O +ATOM 2524 H SER A 194 166.002 171.564 189.104 1.00 45.12 H +ATOM 2525 HA SER A 194 166.451 171.603 191.655 1.00 46.98 H +ATOM 2526 HB2 SER A 194 163.997 172.264 190.418 1.00 46.28 H +ATOM 2527 HB3 SER A 194 164.433 172.725 191.873 1.00 46.28 H +ATOM 2528 HG SER A 194 165.624 173.520 189.652 1.00 46.49 H +ATOM 2529 N ASN A 195 165.226 169.887 192.917 1.00 35.41 N +ATOM 2530 CA ASN A 195 164.655 168.720 193.576 1.00 34.99 C +ATOM 2531 C ASN A 195 163.585 169.108 194.598 1.00 36.22 C +ATOM 2532 O ASN A 195 163.161 170.260 194.651 1.00 36.64 O +ATOM 2533 CB ASN A 195 165.764 167.897 194.238 1.00 34.75 C +ATOM 2534 CG ASN A 195 166.606 168.708 195.198 1.00 37.72 C +ATOM 2535 OD1 ASN A 195 166.225 169.800 195.614 1.00 41.78 O +ATOM 2536 ND2 ASN A 195 167.764 168.172 195.557 1.00 37.78 N +ATOM 2537 H ASN A 195 165.685 170.392 193.439 1.00 42.50 H +ATOM 2538 HA ASN A 195 164.232 168.160 192.905 1.00 41.99 H +ATOM 2539 HB2 ASN A 195 165.362 167.168 194.736 1.00 41.70 H +ATOM 2540 HB3 ASN A 195 166.350 167.545 193.550 1.00 41.70 H +ATOM 2541 HD21 ASN A 195 168.282 168.591 196.100 1.00 45.33 H +ATOM 2542 HD22 ASN A 195 167.997 167.404 195.246 1.00 45.33 H +ATOM 2543 N MET A 196 163.139 168.145 195.397 1.00 38.71 N +ATOM 2544 CA MET A 196 162.073 168.397 196.359 1.00 39.71 C +ATOM 2545 C MET A 196 162.589 169.119 197.597 1.00 38.54 C +ATOM 2546 O MET A 196 161.819 169.777 198.292 1.00 41.11 O +ATOM 2547 CB MET A 196 161.391 167.089 196.760 1.00 36.68 C +ATOM 2548 CG MET A 196 160.647 166.410 195.623 1.00 38.65 C +ATOM 2549 SD MET A 196 159.482 167.497 194.775 1.00 44.51 S +ATOM 2550 CE MET A 196 158.315 167.845 196.081 1.00 51.81 C +ATOM 2551 H MET A 196 163.436 167.338 195.402 1.00 46.45 H +ATOM 2552 HA MET A 196 161.403 168.956 195.935 1.00 47.65 H +ATOM 2553 HB2 MET A 196 162.066 166.472 197.083 1.00 44.02 H +ATOM 2554 HB3 MET A 196 160.751 167.274 197.464 1.00 44.02 H +ATOM 2555 HG2 MET A 196 161.291 166.096 194.969 1.00 46.39 H +ATOM 2556 HG3 MET A 196 160.148 165.659 195.980 1.00 46.39 H +ATOM 2557 HE1 MET A 196 157.625 168.434 195.739 1.00 62.17 H +ATOM 2558 HE2 MET A 196 157.920 167.012 196.382 1.00 62.17 H +ATOM 2559 HE3 MET A 196 158.782 168.274 196.816 1.00 62.17 H +ATOM 2560 N MET A 197 163.883 169.000 197.875 1.00 33.53 N +ATOM 2561 CA MET A 197 164.492 169.806 198.925 1.00 38.02 C +ATOM 2562 C MET A 197 164.328 171.277 198.568 1.00 35.69 C +ATOM 2563 O MET A 197 164.040 172.108 199.426 1.00 39.84 O +ATOM 2564 CB MET A 197 165.973 169.464 199.108 1.00 34.76 C +ATOM 2565 CG MET A 197 166.237 168.105 199.740 1.00 35.02 C +ATOM 2566 SD MET A 197 165.642 167.952 201.437 1.00 37.23 S +ATOM 2567 CE MET A 197 166.714 169.106 202.298 1.00 38.28 C +ATOM 2568 H MET A 197 164.426 168.466 197.475 1.00 40.23 H +ATOM 2569 HA MET A 197 164.037 169.630 199.764 1.00 45.62 H +ATOM 2570 HB2 MET A 197 166.401 169.471 198.238 1.00 41.71 H +ATOM 2571 HB3 MET A 197 166.378 170.136 199.676 1.00 41.71 H +ATOM 2572 HG2 MET A 197 165.796 167.423 199.210 1.00 42.03 H +ATOM 2573 HG3 MET A 197 167.194 167.946 199.748 1.00 42.03 H +ATOM 2574 HE1 MET A 197 167.635 168.824 202.185 1.00 45.93 H +ATOM 2575 HE2 MET A 197 166.590 169.992 201.923 1.00 45.93 H +ATOM 2576 HE3 MET A 197 166.482 169.109 203.240 1.00 45.93 H +ATOM 2577 N PHE A 198 164.500 171.590 197.289 1.00 37.53 N +ATOM 2578 CA PHE A 198 164.317 172.952 196.803 1.00 35.42 C +ATOM 2579 C PHE A 198 162.851 173.369 196.856 1.00 32.25 C +ATOM 2580 O PHE A 198 162.529 174.472 197.291 1.00 25.70 O +ATOM 2581 CB PHE A 198 164.844 173.089 195.373 1.00 31.59 C +ATOM 2582 CG PHE A 198 164.555 174.425 194.748 1.00 24.67 C +ATOM 2583 CD1 PHE A 198 165.366 175.514 195.011 1.00 29.40 C +ATOM 2584 CD2 PHE A 198 163.471 174.591 193.904 1.00 26.55 C +ATOM 2585 CE1 PHE A 198 165.103 176.744 194.441 1.00 33.37 C +ATOM 2586 CE2 PHE A 198 163.202 175.820 193.332 1.00 30.62 C +ATOM 2587 CZ PHE A 198 164.019 176.897 193.601 1.00 31.75 C +ATOM 2588 H PHE A 198 164.725 171.028 196.678 1.00 45.03 H +ATOM 2589 HA PHE A 198 164.821 173.559 197.368 1.00 42.50 H +ATOM 2590 HB2 PHE A 198 165.806 172.967 195.381 1.00 37.91 H +ATOM 2591 HB3 PHE A 198 164.430 172.408 194.820 1.00 37.91 H +ATOM 2592 HD1 PHE A 198 166.097 175.417 195.577 1.00 35.29 H +ATOM 2593 HD2 PHE A 198 162.917 173.868 193.720 1.00 31.86 H +ATOM 2594 HE1 PHE A 198 165.655 177.469 194.624 1.00 40.04 H +ATOM 2595 HE2 PHE A 198 162.472 175.919 192.765 1.00 36.75 H +ATOM 2596 HZ PHE A 198 163.840 177.725 193.216 1.00 38.09 H +ATOM 2597 N ALA A 199 161.970 172.480 196.409 1.00 33.61 N +ATOM 2598 CA ALA A 199 160.545 172.781 196.327 1.00 38.72 C +ATOM 2599 C ALA A 199 159.949 173.063 197.703 1.00 37.80 C +ATOM 2600 O ALA A 199 159.225 174.041 197.883 1.00 33.32 O +ATOM 2601 CB ALA A 199 159.799 171.633 195.655 1.00 39.67 C +ATOM 2602 H ALA A 199 162.174 171.687 196.145 1.00 40.33 H +ATOM 2603 HA ALA A 199 160.424 173.574 195.782 1.00 46.47 H +ATOM 2604 HB1 ALA A 199 158.856 171.853 195.611 1.00 47.61 H +ATOM 2605 HB2 ALA A 199 160.153 171.508 194.760 1.00 47.61 H +ATOM 2606 HB3 ALA A 199 159.927 170.825 196.177 1.00 47.61 H +ATOM 2607 N PHE A 200 160.257 172.210 198.672 1.00 34.83 N +ATOM 2608 CA PHE A 200 159.697 172.360 200.009 1.00 38.85 C +ATOM 2609 C PHE A 200 160.396 173.459 200.798 1.00 36.79 C +ATOM 2610 O PHE A 200 159.796 174.054 201.691 1.00 34.49 O +ATOM 2611 CB PHE A 200 159.762 171.036 200.772 1.00 39.62 C +ATOM 2612 CG PHE A 200 158.725 170.041 200.336 1.00 42.87 C +ATOM 2613 CD1 PHE A 200 157.380 170.362 200.382 1.00 43.95 C +ATOM 2614 CD2 PHE A 200 159.093 168.786 199.886 1.00 46.81 C +ATOM 2615 CE1 PHE A 200 156.420 169.454 199.981 1.00 46.04 C +ATOM 2616 CE2 PHE A 200 158.135 167.870 199.486 1.00 54.21 C +ATOM 2617 CZ PHE A 200 156.798 168.207 199.533 1.00 47.77 C +ATOM 2618 H PHE A 200 160.786 171.538 198.582 1.00 41.79 H +ATOM 2619 HA PHE A 200 158.762 172.606 199.927 1.00 46.61 H +ATOM 2620 HB2 PHE A 200 160.635 170.637 200.633 1.00 47.54 H +ATOM 2621 HB3 PHE A 200 159.627 171.212 201.717 1.00 47.54 H +ATOM 2622 HD1 PHE A 200 157.119 171.203 200.682 1.00 52.74 H +ATOM 2623 HD2 PHE A 200 159.993 168.555 199.851 1.00 56.17 H +ATOM 2624 HE1 PHE A 200 155.520 169.683 200.016 1.00 55.25 H +ATOM 2625 HE2 PHE A 200 158.393 167.030 199.183 1.00 65.05 H +ATOM 2626 HZ PHE A 200 156.153 167.593 199.265 1.00 57.33 H +ATOM 2627 N PHE A 201 161.656 173.738 200.476 1.00 32.77 N +ATOM 2628 CA PHE A 201 162.331 174.875 201.088 1.00 34.14 C +ATOM 2629 C PHE A 201 161.658 176.161 200.631 1.00 37.27 C +ATOM 2630 O PHE A 201 161.405 177.059 201.431 1.00 32.35 O +ATOM 2631 CB PHE A 201 163.819 174.915 200.737 1.00 31.08 C +ATOM 2632 CG PHE A 201 164.571 176.000 201.454 1.00 32.71 C +ATOM 2633 CD1 PHE A 201 164.621 177.284 200.938 1.00 35.91 C +ATOM 2634 CD2 PHE A 201 165.211 175.741 202.653 1.00 36.35 C +ATOM 2635 CE1 PHE A 201 165.303 178.282 201.600 1.00 31.69 C +ATOM 2636 CE2 PHE A 201 165.895 176.737 203.318 1.00 25.11 C +ATOM 2637 CZ PHE A 201 165.940 178.008 202.790 1.00 31.24 C +ATOM 2638 H PHE A 201 162.134 173.293 199.917 1.00 39.32 H +ATOM 2639 HA PHE A 201 162.248 174.815 202.052 1.00 40.97 H +ATOM 2640 HB2 PHE A 201 164.221 174.066 200.978 1.00 37.29 H +ATOM 2641 HB3 PHE A 201 163.913 175.067 199.784 1.00 37.29 H +ATOM 2642 HD1 PHE A 201 164.192 177.474 200.135 1.00 43.09 H +ATOM 2643 HD2 PHE A 201 165.183 174.884 203.013 1.00 43.62 H +ATOM 2644 HE1 PHE A 201 165.334 179.140 201.243 1.00 38.03 H +ATOM 2645 HE2 PHE A 201 166.325 176.551 204.121 1.00 30.13 H +ATOM 2646 HZ PHE A 201 166.402 178.681 203.237 1.00 37.48 H +ATOM 2647 N ALA A 202 161.374 176.241 199.335 1.00 30.76 N +ATOM 2648 CA ALA A 202 160.708 177.404 198.770 1.00 32.15 C +ATOM 2649 C ALA A 202 159.378 177.645 199.470 1.00 34.04 C +ATOM 2650 O ALA A 202 159.091 178.756 199.907 1.00 36.70 O +ATOM 2651 CB ALA A 202 160.497 177.223 197.278 1.00 32.21 C +ATOM 2652 H ALA A 202 161.560 175.630 198.760 1.00 36.92 H +ATOM 2653 HA ALA A 202 161.266 178.186 198.904 1.00 38.58 H +ATOM 2654 HB1 ALA A 202 160.053 178.010 196.924 1.00 38.65 H +ATOM 2655 HB2 ALA A 202 161.360 177.110 196.849 1.00 38.65 H +ATOM 2656 HB3 ALA A 202 159.948 176.438 197.130 1.00 38.65 H +ATOM 2657 N GLN A 203 158.576 176.593 199.583 1.00 36.08 N +ATOM 2658 CA GLN A 203 157.265 176.695 200.206 1.00 38.72 C +ATOM 2659 C GLN A 203 157.383 177.055 201.682 1.00 40.97 C +ATOM 2660 O GLN A 203 156.700 177.954 202.164 1.00 38.85 O +ATOM 2661 CB GLN A 203 156.493 175.384 200.055 1.00 41.62 C +ATOM 2662 CG GLN A 203 155.062 175.463 200.560 1.00 47.36 C +ATOM 2663 CD GLN A 203 154.359 174.122 200.555 1.00 48.73 C +ATOM 2664 OE1 GLN A 203 154.986 173.076 200.398 1.00 47.63 O +ATOM 2665 NE2 GLN A 203 153.045 174.147 200.730 1.00 54.85 N +ATOM 2666 H GLN A 203 158.770 175.803 199.303 1.00 43.30 H +ATOM 2667 HA GLN A 203 156.758 177.395 199.765 1.00 46.47 H +ATOM 2668 HB2 GLN A 203 156.464 175.144 199.115 1.00 49.95 H +ATOM 2669 HB3 GLN A 203 156.948 174.692 200.558 1.00 49.95 H +ATOM 2670 HG2 GLN A 203 155.067 175.795 201.471 1.00 56.83 H +ATOM 2671 HG3 GLN A 203 154.559 176.066 199.991 1.00 56.83 H +ATOM 2672 HE21 GLN A 203 152.641 174.898 200.839 1.00 65.82 H +ATOM 2673 HE22 GLN A 203 152.598 173.413 200.736 1.00 65.82 H +ATOM 2674 N HIS A 204 158.248 176.342 202.395 1.00 36.20 N +ATOM 2675 CA HIS A 204 158.439 176.570 203.820 1.00 27.18 C +ATOM 2676 C HIS A 204 158.907 177.995 204.092 1.00 34.26 C +ATOM 2677 O HIS A 204 158.335 178.701 204.924 1.00 29.65 O +ATOM 2678 CB HIS A 204 159.450 175.575 204.389 1.00 30.85 C +ATOM 2679 CG HIS A 204 159.660 175.700 205.865 1.00 30.46 C +ATOM 2680 ND1 HIS A 204 160.742 176.355 206.412 1.00 27.74 N +ATOM 2681 CD2 HIS A 204 158.924 175.252 206.909 1.00 28.08 C +ATOM 2682 CE1 HIS A 204 160.663 176.306 207.730 1.00 28.88 C +ATOM 2683 NE2 HIS A 204 159.568 175.644 208.057 1.00 27.31 N +ATOM 2684 H HIS A 204 158.740 175.714 202.072 1.00 43.44 H +ATOM 2685 HA HIS A 204 157.595 176.437 204.279 1.00 32.62 H +ATOM 2686 HB2 HIS A 204 159.137 174.674 204.209 1.00 37.02 H +ATOM 2687 HB3 HIS A 204 160.306 175.717 203.955 1.00 37.02 H +ATOM 2688 HD1 HIS A 204 161.370 176.736 205.966 1.00 33.29 H +ATOM 2689 HD2 HIS A 204 158.130 174.772 206.859 1.00 33.69 H +ATOM 2690 HE1 HIS A 204 161.273 176.676 208.325 1.00 34.66 H +ATOM 2691 N PHE A 205 159.945 178.412 203.378 1.00 29.52 N +ATOM 2692 CA PHE A 205 160.566 179.709 203.608 1.00 25.17 C +ATOM 2693 C PHE A 205 159.642 180.881 203.283 1.00 25.24 C +ATOM 2694 O PHE A 205 159.528 181.817 204.071 1.00 22.73 O +ATOM 2695 CB PHE A 205 161.849 179.825 202.786 1.00 27.30 C +ATOM 2696 CG PHE A 205 162.340 181.229 202.630 1.00 24.74 C +ATOM 2697 CD1 PHE A 205 162.878 181.912 203.703 1.00 25.41 C +ATOM 2698 CD2 PHE A 205 162.265 181.864 201.405 1.00 25.40 C +ATOM 2699 CE1 PHE A 205 163.329 183.207 203.554 1.00 28.42 C +ATOM 2700 CE2 PHE A 205 162.716 183.154 201.253 1.00 21.63 C +ATOM 2701 CZ PHE A 205 163.248 183.826 202.327 1.00 24.48 C +ATOM 2702 H PHE A 205 160.313 177.956 202.748 1.00 35.42 H +ATOM 2703 HA PHE A 205 160.808 179.776 204.544 1.00 30.21 H +ATOM 2704 HB2 PHE A 205 162.547 179.313 203.223 1.00 32.76 H +ATOM 2705 HB3 PHE A 205 161.686 179.467 201.899 1.00 32.76 H +ATOM 2706 HD1 PHE A 205 162.934 181.497 204.533 1.00 30.50 H +ATOM 2707 HD2 PHE A 205 161.906 181.414 200.675 1.00 30.48 H +ATOM 2708 HE1 PHE A 205 163.690 183.661 204.281 1.00 34.10 H +ATOM 2709 HE2 PHE A 205 162.660 183.571 200.424 1.00 25.95 H +ATOM 2710 HZ PHE A 205 163.552 184.699 202.225 1.00 29.38 H +ATOM 2711 N THR A 206 158.985 180.838 202.129 1.00 29.94 N +ATOM 2712 CA THR A 206 158.159 181.963 201.703 1.00 28.57 C +ATOM 2713 C THR A 206 156.852 182.062 202.484 1.00 29.80 C +ATOM 2714 O THR A 206 156.242 183.127 202.546 1.00 25.92 O +ATOM 2715 CB THR A 206 157.820 181.885 200.201 1.00 30.83 C +ATOM 2716 OG1 THR A 206 157.108 180.672 199.922 1.00 32.69 O +ATOM 2717 CG2 THR A 206 159.084 181.944 199.358 1.00 33.45 C +ATOM 2718 H THR A 206 159.001 180.177 201.579 1.00 35.93 H +ATOM 2719 HA THR A 206 158.653 182.784 201.851 1.00 34.28 H +ATOM 2720 HB THR A 206 157.263 182.642 199.961 1.00 37.00 H +ATOM 2721 HG1 THR A 206 157.579 180.008 200.131 1.00 39.22 H +ATOM 2722 HG21 THR A 206 158.857 181.894 198.417 1.00 40.14 H +ATOM 2723 HG22 THR A 206 159.555 182.776 199.526 1.00 40.14 H +ATOM 2724 HG23 THR A 206 159.667 181.202 199.582 1.00 40.14 H +ATOM 2725 N HIS A 207 156.422 180.963 203.095 1.00 34.28 N +ATOM 2726 CA HIS A 207 155.146 180.956 203.798 1.00 38.26 C +ATOM 2727 C HIS A 207 155.220 181.647 205.158 1.00 32.06 C +ATOM 2728 O HIS A 207 154.238 181.671 205.900 1.00 30.99 O +ATOM 2729 CB HIS A 207 154.635 179.526 203.960 1.00 37.13 C +ATOM 2730 CG HIS A 207 153.758 179.079 202.834 1.00 46.23 C +ATOM 2731 ND1 HIS A 207 154.158 179.121 201.517 1.00 47.74 N +ATOM 2732 CD2 HIS A 207 152.491 178.602 202.827 1.00 42.98 C +ATOM 2733 CE1 HIS A 207 153.179 178.679 200.748 1.00 49.36 C +ATOM 2734 NE2 HIS A 207 152.156 178.358 201.518 1.00 70.01 N +ATOM 2735 H HIS A 207 156.846 180.215 203.116 1.00 41.14 H +ATOM 2736 HA HIS A 207 154.498 181.438 203.262 1.00 45.92 H +ATOM 2737 HB2 HIS A 207 155.394 178.924 204.004 1.00 44.55 H +ATOM 2738 HB3 HIS A 207 154.120 179.467 204.780 1.00 44.55 H +ATOM 2739 HD2 HIS A 207 151.950 178.461 203.571 1.00 51.58 H +ATOM 2740 HE1 HIS A 207 153.206 178.607 199.821 1.00 59.23 H +ATOM 2741 HE2 HIS A 207 151.403 178.045 201.245 1.00 84.01 H +ATOM 2742 N GLN A 208 156.369 182.231 205.481 1.00 24.07 N +ATOM 2743 CA GLN A 208 156.453 183.077 206.660 1.00 25.52 C +ATOM 2744 C GLN A 208 156.004 184.503 206.335 1.00 26.02 C +ATOM 2745 O GLN A 208 155.509 185.204 207.215 1.00 29.98 O +ATOM 2746 CB GLN A 208 157.868 183.074 207.241 1.00 28.41 C +ATOM 2747 CG GLN A 208 158.878 183.918 206.499 1.00 23.60 C +ATOM 2748 CD GLN A 208 160.285 183.678 207.001 1.00 21.20 C +ATOM 2749 OE1 GLN A 208 160.692 184.223 208.023 1.00 25.86 O +ATOM 2750 NE2 GLN A 208 161.033 182.846 206.290 1.00 23.98 N +ATOM 2751 H GLN A 208 157.103 182.154 205.039 1.00 28.88 H +ATOM 2752 HA GLN A 208 155.854 182.727 207.338 1.00 30.63 H +ATOM 2753 HB2 GLN A 208 157.826 183.404 208.152 1.00 34.10 H +ATOM 2754 HB3 GLN A 208 158.196 182.161 207.243 1.00 34.10 H +ATOM 2755 HG2 GLN A 208 158.850 183.693 205.556 1.00 28.32 H +ATOM 2756 HG3 GLN A 208 158.666 184.855 206.627 1.00 28.32 H +ATOM 2757 HE21 GLN A 208 160.710 182.474 205.585 1.00 28.78 H +ATOM 2758 HE22 GLN A 208 161.840 182.677 206.535 1.00 28.78 H +ATOM 2759 N PHE A 209 156.161 184.929 205.080 1.00 21.62 N +ATOM 2760 CA PHE A 209 155.686 186.256 204.672 1.00 22.65 C +ATOM 2761 C PHE A 209 154.544 186.215 203.652 1.00 18.82 C +ATOM 2762 O PHE A 209 153.943 187.246 203.361 1.00 26.20 O +ATOM 2763 CB PHE A 209 156.837 187.118 204.130 1.00 25.97 C +ATOM 2764 CG PHE A 209 157.749 186.423 203.158 1.00 24.20 C +ATOM 2765 CD1 PHE A 209 157.374 186.233 201.840 1.00 26.04 C +ATOM 2766 CD2 PHE A 209 159.011 186.015 203.553 1.00 25.32 C +ATOM 2767 CE1 PHE A 209 158.229 185.617 200.946 1.00 29.50 C +ATOM 2768 CE2 PHE A 209 159.866 185.401 202.663 1.00 26.48 C +ATOM 2769 CZ PHE A 209 159.477 185.207 201.357 1.00 19.76 C +ATOM 2770 H PHE A 209 156.534 184.476 204.452 1.00 25.94 H +ATOM 2771 HA PHE A 209 155.344 186.706 205.461 1.00 27.18 H +ATOM 2772 HB2 PHE A 209 156.458 187.888 203.677 1.00 31.17 H +ATOM 2773 HB3 PHE A 209 157.378 187.415 204.878 1.00 31.17 H +ATOM 2774 HD1 PHE A 209 156.533 186.511 201.556 1.00 31.24 H +ATOM 2775 HD2 PHE A 209 159.281 186.146 204.433 1.00 30.38 H +ATOM 2776 HE1 PHE A 209 157.964 185.485 200.064 1.00 35.40 H +ATOM 2777 HE2 PHE A 209 160.708 185.123 202.944 1.00 31.77 H +ATOM 2778 HZ PHE A 209 160.051 184.789 200.757 1.00 23.71 H +ATOM 2779 N PHE A 210 154.235 185.038 203.123 1.00 22.27 N +ATOM 2780 CA PHE A 210 153.004 184.851 202.359 1.00 28.35 C +ATOM 2781 C PHE A 210 151.978 184.146 203.243 1.00 38.11 C +ATOM 2782 O PHE A 210 151.907 182.917 203.273 1.00 35.35 O +ATOM 2783 CB PHE A 210 153.249 184.047 201.084 1.00 34.54 C +ATOM 2784 CG PHE A 210 154.162 184.720 200.097 1.00 30.61 C +ATOM 2785 CD1 PHE A 210 154.181 186.100 199.964 1.00 30.26 C +ATOM 2786 CD2 PHE A 210 154.995 183.966 199.291 1.00 33.05 C +ATOM 2787 CE1 PHE A 210 155.021 186.710 199.050 1.00 24.95 C +ATOM 2788 CE2 PHE A 210 155.838 184.574 198.375 1.00 34.03 C +ATOM 2789 CZ PHE A 210 155.850 185.946 198.257 1.00 28.05 C +ATOM 2790 H PHE A 210 154.720 184.331 203.190 1.00 26.72 H +ATOM 2791 HA PHE A 210 152.647 185.718 202.109 1.00 34.02 H +ATOM 2792 HB2 PHE A 210 153.649 183.196 201.324 1.00 41.45 H +ATOM 2793 HB3 PHE A 210 152.398 183.895 200.643 1.00 41.45 H +ATOM 2794 HD1 PHE A 210 153.626 186.622 200.497 1.00 36.31 H +ATOM 2795 HD2 PHE A 210 154.992 183.039 199.368 1.00 39.66 H +ATOM 2796 HE1 PHE A 210 155.028 187.637 198.972 1.00 29.94 H +ATOM 2797 HE2 PHE A 210 156.396 184.056 197.841 1.00 40.84 H +ATOM 2798 HZ PHE A 210 156.415 186.355 197.642 1.00 33.66 H +ATOM 2799 N LYS A 211 151.200 184.941 203.969 1.00 34.91 N +ATOM 2800 CA LYS A 211 150.207 184.424 204.905 1.00 34.08 C +ATOM 2801 C LYS A 211 148.868 185.093 204.655 1.00 36.06 C +ATOM 2802 O LYS A 211 148.358 185.832 205.498 1.00 32.58 O +ATOM 2803 CB LYS A 211 150.659 184.654 206.347 1.00 33.17 C +ATOM 2804 CG LYS A 211 151.934 183.913 206.711 1.00 40.39 C +ATOM 2805 CD LYS A 211 152.568 184.477 207.966 1.00 37.05 C +ATOM 2806 CE LYS A 211 151.687 184.272 209.178 1.00 34.68 C +ATOM 2807 NZ LYS A 211 152.269 184.906 210.382 1.00 37.98 N +ATOM 2808 H LYS A 211 151.227 185.800 203.936 1.00 41.89 H +ATOM 2809 HA LYS A 211 150.102 183.469 204.767 1.00 40.90 H +ATOM 2810 HB2 LYS A 211 150.819 185.602 206.477 1.00 39.81 H +ATOM 2811 HB3 LYS A 211 149.959 184.352 206.946 1.00 39.81 H +ATOM 2812 HG2 LYS A 211 151.727 182.979 206.868 1.00 48.47 H +ATOM 2813 HG3 LYS A 211 152.571 183.998 205.985 1.00 48.47 H +ATOM 2814 HD2 LYS A 211 153.413 184.028 208.127 1.00 44.46 H +ATOM 2815 HD3 LYS A 211 152.711 185.429 207.852 1.00 44.46 H +ATOM 2816 HE2 LYS A 211 150.819 184.672 209.013 1.00 41.62 H +ATOM 2817 HE3 LYS A 211 151.594 183.322 209.349 1.00 41.62 H +ATOM 2818 HZ1 LYS A 211 151.736 184.774 211.082 1.00 45.58 H +ATOM 2819 HZ2 LYS A 211 153.068 184.553 210.555 1.00 45.58 H +ATOM 2820 HZ3 LYS A 211 152.363 185.781 210.250 1.00 45.58 H +ATOM 2821 N THR A 212 148.314 184.828 203.479 1.00 38.50 N +ATOM 2822 CA THR A 212 147.073 185.448 203.044 1.00 38.89 C +ATOM 2823 C THR A 212 145.959 185.246 204.075 1.00 47.28 C +ATOM 2824 O THR A 212 145.721 184.132 204.538 1.00 43.80 O +ATOM 2825 CB THR A 212 146.628 184.877 201.687 1.00 48.08 C +ATOM 2826 OG1 THR A 212 147.771 184.732 200.825 1.00 56.07 O +ATOM 2827 CG2 THR A 212 145.584 185.786 201.041 1.00 40.19 C +ATOM 2828 H THR A 212 148.647 184.282 202.904 1.00 46.20 H +ATOM 2829 HA THR A 212 147.215 186.401 202.938 1.00 46.67 H +ATOM 2830 HB THR A 212 146.225 184.007 201.827 1.00 57.69 H +ATOM 2831 HG21 THR A 212 145.310 185.418 200.186 1.00 48.23 H +ATOM 2832 HG22 THR A 212 144.807 185.859 201.616 1.00 48.23 H +ATOM 2833 HG23 THR A 212 145.956 186.670 200.899 1.00 48.23 H +ATOM 2834 N ASP A 213 145.295 186.337 204.443 1.00 44.87 N +ATOM 2835 CA ASP A 213 144.189 186.276 205.392 1.00 55.05 C +ATOM 2836 C ASP A 213 142.871 186.132 204.637 1.00 48.43 C +ATOM 2837 O ASP A 213 142.250 187.119 204.249 1.00 48.66 O +ATOM 2838 CB ASP A 213 144.176 187.519 206.281 1.00 57.66 C +ATOM 2839 CG ASP A 213 143.153 187.426 207.395 1.00 56.26 C +ATOM 2840 OD1 ASP A 213 142.534 186.354 207.548 1.00 57.00 O +ATOM 2841 OD2 ASP A 213 142.978 188.419 208.128 1.00 52.75 O +ATOM 2842 H ASP A 213 145.466 187.129 204.156 1.00 53.85 H +ATOM 2843 HA ASP A 213 144.299 185.497 205.961 1.00 66.06 H +ATOM 2844 HB2 ASP A 213 145.051 187.628 206.685 1.00 69.20 H +ATOM 2845 HB3 ASP A 213 143.961 188.294 205.739 1.00 69.20 H +ATOM 2846 N HIS A 214 142.445 184.892 204.438 1.00 57.86 N +ATOM 2847 CA HIS A 214 141.336 184.604 203.538 1.00 64.23 C +ATOM 2848 C HIS A 214 139.961 184.925 204.123 1.00 60.77 C +ATOM 2849 O HIS A 214 138.989 185.029 203.378 1.00 74.02 O +ATOM 2850 CB HIS A 214 141.391 183.137 203.113 1.00 52.75 C +ATOM 2851 CG HIS A 214 142.488 182.839 202.140 1.00 65.33 C +ATOM 2852 ND1 HIS A 214 142.431 183.219 200.816 1.00 69.47 N +ATOM 2853 CD2 HIS A 214 143.673 182.204 202.297 1.00 61.56 C +ATOM 2854 CE1 HIS A 214 143.532 182.828 200.200 1.00 75.95 C +ATOM 2855 NE2 HIS A 214 144.302 182.209 201.076 1.00 72.23 N +ATOM 2856 H HIS A 214 142.782 184.196 204.814 1.00 69.43 H +ATOM 2857 HA HIS A 214 141.444 185.143 202.739 1.00 77.07 H +ATOM 2858 HB2 HIS A 214 141.533 182.587 203.899 1.00 63.30 H +ATOM 2859 HB3 HIS A 214 140.549 182.901 202.693 1.00 63.30 H +ATOM 2860 HD2 HIS A 214 143.999 181.831 203.085 1.00 73.87 H +ATOM 2861 HE1 HIS A 214 143.731 182.965 199.302 1.00 91.14 H +ATOM 2862 HE2 HIS A 214 145.073 181.866 200.909 1.00 86.68 H +ATOM 2863 N LYS A 215 139.869 185.092 205.439 1.00 61.84 N +ATOM 2864 CA LYS A 215 138.601 185.494 206.039 1.00 72.75 C +ATOM 2865 C LYS A 215 138.382 186.990 205.816 1.00 81.05 C +ATOM 2866 O LYS A 215 137.270 187.494 205.974 1.00 70.27 O +ATOM 2867 CB LYS A 215 138.552 185.149 207.535 1.00 77.59 C +ATOM 2868 CG LYS A 215 139.273 186.116 208.467 1.00 76.39 C +ATOM 2869 CD LYS A 215 139.074 185.708 209.923 1.00 84.66 C +ATOM 2870 CE LYS A 215 139.826 186.626 210.878 1.00 92.97 C +ATOM 2871 NZ LYS A 215 139.473 186.359 212.302 1.00 99.46 N +ATOM 2872 H LYS A 215 140.513 184.980 205.998 1.00 74.21 H +ATOM 2873 HA LYS A 215 137.879 185.018 205.599 1.00 87.30 H +ATOM 2874 HB2 LYS A 215 137.622 185.120 207.811 1.00 93.11 H +ATOM 2875 HB3 LYS A 215 138.952 184.274 207.659 1.00 93.11 H +ATOM 2876 HG2 LYS A 215 140.224 186.103 208.273 1.00 91.67 H +ATOM 2877 HG3 LYS A 215 138.914 187.009 208.347 1.00 91.67 H +ATOM 2878 HD2 LYS A 215 138.130 185.753 210.140 1.00101.60 H +ATOM 2879 HD3 LYS A 215 139.404 184.805 210.049 1.00101.60 H +ATOM 2880 HE2 LYS A 215 140.780 186.484 210.772 1.00111.56 H +ATOM 2881 HE3 LYS A 215 139.600 187.548 210.678 1.00111.56 H +ATOM 2882 HZ1 LYS A 215 139.926 186.909 212.835 1.00119.35 H +ATOM 2883 HZ2 LYS A 215 138.601 186.487 212.428 1.00119.35 H +ATOM 2884 HZ3 LYS A 215 139.675 185.519 212.513 1.00119.35 H +ATOM 2885 N ARG A 216 139.450 187.689 205.436 1.00 77.89 N +ATOM 2886 CA ARG A 216 139.381 189.110 205.107 1.00 60.89 C +ATOM 2887 C ARG A 216 139.346 189.330 203.597 1.00 54.06 C +ATOM 2888 O ARG A 216 138.537 190.109 203.092 1.00 41.88 O +ATOM 2889 CB ARG A 216 140.574 189.851 205.705 1.00 61.30 C +ATOM 2890 CG ARG A 216 140.267 190.605 206.985 1.00 53.60 C +ATOM 2891 CD ARG A 216 141.506 191.307 207.507 1.00 59.26 C +ATOM 2892 NE ARG A 216 141.194 192.324 208.504 1.00 75.15 N +ATOM 2893 CZ ARG A 216 142.096 192.896 209.293 1.00 89.82 C +ATOM 2894 NH1 ARG A 216 141.720 193.815 210.170 1.00 96.51 N +ATOM 2895 NH2 ARG A 216 143.374 192.548 209.213 1.00 95.43 N +ATOM 2896 H ARG A 216 140.239 187.355 205.360 1.00 93.47 H +ATOM 2897 HA ARG A 216 138.571 189.485 205.486 1.00 73.07 H +ATOM 2898 HB2 ARG A 216 141.272 189.206 205.904 1.00 73.55 H +ATOM 2899 HB3 ARG A 216 140.898 190.493 205.055 1.00 73.55 H +ATOM 2900 HG2 ARG A 216 139.587 191.274 206.810 1.00 64.32 H +ATOM 2901 HG3 ARG A 216 139.961 189.981 207.662 1.00 64.32 H +ATOM 2902 HD2 ARG A 216 142.092 190.652 207.919 1.00 71.11 H +ATOM 2903 HD3 ARG A 216 141.960 191.740 206.767 1.00 71.11 H +ATOM 2904 HE ARG A 216 140.380 192.596 208.559 1.00 90.18 H +ATOM 2905 HH11 ARG A 216 140.893 194.042 210.226 1.00115.81 H +ATOM 2906 HH12 ARG A 216 142.303 194.184 210.683 1.00115.81 H +ATOM 2907 HH21 ARG A 216 143.622 191.952 208.645 1.00114.52 H +ATOM 2908 HH22 ARG A 216 143.954 192.920 209.727 1.00114.52 H +ATOM 2909 N GLY A 217 140.232 188.639 202.885 1.00 49.70 N +ATOM 2910 CA GLY A 217 140.323 188.755 201.440 1.00 50.27 C +ATOM 2911 C GLY A 217 141.744 188.551 200.950 1.00 43.42 C +ATOM 2912 O GLY A 217 142.689 188.664 201.728 1.00 39.85 O +ATOM 2913 H GLY A 217 140.799 188.089 203.225 1.00 59.64 H +ATOM 2914 HA2 GLY A 217 139.753 188.089 201.024 1.00 60.32 H +ATOM 2915 HA3 GLY A 217 140.023 189.635 201.165 1.00 60.32 H +ATOM 2916 N PRO A 218 141.906 188.255 199.650 1.00 44.93 N +ATOM 2917 CA PRO A 218 143.227 187.996 199.061 1.00 45.08 C +ATOM 2918 C PRO A 218 144.212 189.153 199.226 1.00 44.09 C +ATOM 2919 O PRO A 218 145.420 188.943 199.125 1.00 44.07 O +ATOM 2920 CB PRO A 218 142.912 187.766 197.577 1.00 43.98 C +ATOM 2921 CG PRO A 218 141.562 188.358 197.361 1.00 52.15 C +ATOM 2922 CD PRO A 218 140.833 188.169 198.645 1.00 45.80 C +ATOM 2923 HA PRO A 218 143.612 187.189 199.438 1.00 54.09 H +ATOM 2924 HB2 PRO A 218 143.574 188.216 197.029 1.00 52.78 H +ATOM 2925 HB3 PRO A 218 142.902 186.814 197.389 1.00 52.78 H +ATOM 2926 HG2 PRO A 218 141.650 189.301 197.154 1.00 62.58 H +ATOM 2927 HG3 PRO A 218 141.112 187.889 196.641 1.00 62.58 H +ATOM 2928 HD2 PRO A 218 140.187 188.881 198.776 1.00 54.96 H +ATOM 2929 HD3 PRO A 218 140.413 187.295 198.671 1.00 54.96 H +ATOM 2930 N ALA A 219 143.700 190.349 199.490 1.00 38.39 N +ATOM 2931 CA ALA A 219 144.534 191.544 199.558 1.00 39.43 C +ATOM 2932 C ALA A 219 145.184 191.742 200.927 1.00 33.74 C +ATOM 2933 O ALA A 219 145.966 192.675 201.108 1.00 31.91 O +ATOM 2934 CB ALA A 219 143.711 192.766 199.198 1.00 35.56 C +ATOM 2935 H ALA A 219 142.865 190.497 199.636 1.00 46.07 H +ATOM 2936 HA ALA A 219 145.245 191.463 198.903 1.00 47.31 H +ATOM 2937 HB1 ALA A 219 144.277 193.552 199.247 1.00 42.67 H +ATOM 2938 HB2 ALA A 219 143.367 192.660 198.297 1.00 42.67 H +ATOM 2939 HB3 ALA A 219 142.976 192.847 199.826 1.00 42.67 H +ATOM 2940 N PHE A 220 144.872 190.866 201.878 1.00 29.28 N +ATOM 2941 CA PHE A 220 145.349 191.019 203.251 1.00 31.46 C +ATOM 2942 C PHE A 220 146.285 189.895 203.684 1.00 28.67 C +ATOM 2943 O PHE A 220 146.217 188.782 203.166 1.00 33.32 O +ATOM 2944 CB PHE A 220 144.161 191.095 204.208 1.00 36.93 C +ATOM 2945 CG PHE A 220 143.245 192.247 203.935 1.00 38.06 C +ATOM 2946 CD1 PHE A 220 143.503 193.495 204.476 1.00 38.07 C +ATOM 2947 CD2 PHE A 220 142.132 192.087 203.129 1.00 44.40 C +ATOM 2948 CE1 PHE A 220 142.664 194.558 204.222 1.00 38.21 C +ATOM 2949 CE2 PHE A 220 141.290 193.149 202.874 1.00 44.81 C +ATOM 2950 CZ PHE A 220 141.556 194.385 203.419 1.00 37.40 C +ATOM 2951 H PHE A 220 144.383 190.170 201.754 1.00 35.14 H +ATOM 2952 HA PHE A 220 145.839 191.853 203.319 1.00 37.75 H +ATOM 2953 HB2 PHE A 220 143.643 190.278 204.130 1.00 44.32 H +ATOM 2954 HB3 PHE A 220 144.495 191.188 205.114 1.00 44.32 H +ATOM 2955 HD1 PHE A 220 144.249 193.616 205.017 1.00 45.69 H +ATOM 2956 HD2 PHE A 220 141.948 191.254 202.759 1.00 53.28 H +ATOM 2957 HE1 PHE A 220 142.845 195.392 204.591 1.00 45.85 H +ATOM 2958 HE2 PHE A 220 140.543 193.030 202.332 1.00 53.77 H +ATOM 2959 HZ PHE A 220 140.989 195.102 203.248 1.00 44.88 H +ATOM 2960 N THR A 221 147.155 190.205 204.642 1.00 28.35 N +ATOM 2961 CA THR A 221 148.104 189.239 205.186 1.00 35.73 C +ATOM 2962 C THR A 221 148.082 189.220 206.708 1.00 26.30 C +ATOM 2963 O THR A 221 147.754 190.218 207.345 1.00 24.82 O +ATOM 2964 CB THR A 221 149.551 189.534 204.722 1.00 27.94 C +ATOM 2965 OG1 THR A 221 150.452 188.607 205.339 1.00 31.78 O +ATOM 2966 CG2 THR A 221 149.966 190.948 205.094 1.00 28.79 C +ATOM 2967 H THR A 221 147.216 190.985 204.999 1.00 34.02 H +ATOM 2968 HA THR A 221 147.865 188.352 204.872 1.00 42.88 H +ATOM 2969 HB THR A 221 149.605 189.443 203.758 1.00 33.53 H +ATOM 2970 HG1 THR A 221 151.239 188.762 205.091 1.00 38.14 H +ATOM 2971 HG21 THR A 221 150.874 191.116 204.796 1.00 34.55 H +ATOM 2972 HG22 THR A 221 149.372 191.589 204.672 1.00 34.55 H +ATOM 2973 HG23 THR A 221 149.923 191.064 206.056 1.00 34.55 H +ATOM 2974 N ASN A 222 148.436 188.074 207.282 1.00 35.54 N +ATOM 2975 CA ASN A 222 148.610 187.943 208.724 1.00 33.13 C +ATOM 2976 C ASN A 222 150.068 188.113 209.144 1.00 30.80 C +ATOM 2977 O ASN A 222 150.369 188.181 210.333 1.00 32.32 O +ATOM 2978 CB ASN A 222 148.101 186.585 209.202 1.00 34.90 C +ATOM 2979 CG ASN A 222 146.607 186.430 209.032 1.00 41.10 C +ATOM 2980 OD1 ASN A 222 145.839 187.338 209.345 1.00 47.38 O +ATOM 2981 ND2 ASN A 222 146.187 185.279 208.527 1.00 49.65 N +ATOM 2982 H ASN A 222 148.583 187.346 206.849 1.00 42.64 H +ATOM 2983 HA ASN A 222 148.089 188.630 209.167 1.00 39.75 H +ATOM 2984 HB2 ASN A 222 148.536 185.885 208.689 1.00 41.87 H +ATOM 2985 HB3 ASN A 222 148.308 186.483 210.144 1.00 41.87 H +ATOM 2986 HD21 ASN A 222 145.346 185.142 208.410 1.00 59.58 H +ATOM 2987 HD22 ASN A 222 146.755 184.669 208.316 1.00 59.58 H +ATOM 2988 N GLY A 223 150.968 188.173 208.166 1.00 28.45 N +ATOM 2989 CA GLY A 223 152.385 188.344 208.438 1.00 28.99 C +ATOM 2990 C GLY A 223 152.755 189.809 208.550 1.00 26.54 C +ATOM 2991 O GLY A 223 153.246 190.404 207.594 1.00 30.29 O +ATOM 2992 H GLY A 223 150.777 188.116 207.329 1.00 34.13 H +ATOM 2993 HA2 GLY A 223 152.613 187.901 209.270 1.00 34.78 H +ATOM 2994 HA3 GLY A 223 152.905 187.947 207.722 1.00 34.78 H +ATOM 2995 N LEU A 224 152.524 190.391 209.722 1.00 23.04 N +ATOM 2996 CA LEU A 224 152.713 191.826 209.913 1.00 27.27 C +ATOM 2997 C LEU A 224 154.190 192.197 210.032 1.00 25.51 C +ATOM 2998 O LEU A 224 154.540 193.376 210.038 1.00 26.06 O +ATOM 2999 CB LEU A 224 151.951 192.300 211.150 1.00 22.51 C +ATOM 3000 CG LEU A 224 150.458 191.955 211.183 1.00 29.48 C +ATOM 3001 CD1 LEU A 224 149.803 192.568 212.405 1.00 22.12 C +ATOM 3002 CD2 LEU A 224 149.749 192.408 209.916 1.00 26.29 C +ATOM 3003 H LEU A 224 152.255 189.976 210.426 1.00 27.65 H +ATOM 3004 HA LEU A 224 152.352 192.294 209.144 1.00 32.73 H +ATOM 3005 HB2 LEU A 224 152.359 191.899 211.933 1.00 27.01 H +ATOM 3006 HB3 LEU A 224 152.026 193.266 211.204 1.00 27.01 H +ATOM 3007 HG LEU A 224 150.362 190.992 211.247 1.00 35.38 H +ATOM 3008 HD11 LEU A 224 148.860 192.338 212.406 1.00 26.55 H +ATOM 3009 HD12 LEU A 224 150.231 192.218 213.201 1.00 26.55 H +ATOM 3010 HD13 LEU A 224 149.908 193.532 212.368 1.00 26.55 H +ATOM 3011 HD21 LEU A 224 148.810 192.171 209.978 1.00 31.55 H +ATOM 3012 HD22 LEU A 224 149.843 193.369 209.829 1.00 31.55 H +ATOM 3013 HD23 LEU A 224 150.153 191.965 209.153 1.00 31.55 H +ATOM 3014 N GLY A 225 155.053 191.191 210.128 1.00 23.26 N +ATOM 3015 CA GLY A 225 156.485 191.419 210.125 1.00 24.62 C +ATOM 3016 C GLY A 225 156.961 191.751 208.724 1.00 27.17 C +ATOM 3017 O GLY A 225 158.010 192.369 208.545 1.00 28.19 O +ATOM 3018 H GLY A 225 154.829 190.364 210.196 1.00 27.91 H +ATOM 3019 HA2 GLY A 225 156.703 192.157 210.715 1.00 29.54 H +ATOM 3020 HA3 GLY A 225 156.946 190.623 210.433 1.00 29.54 H +ATOM 3021 N HIS A 226 156.178 191.329 207.734 1.00 23.82 N +ATOM 3022 CA HIS A 226 156.435 191.639 206.329 1.00 24.14 C +ATOM 3023 C HIS A 226 157.858 191.295 205.884 1.00 25.87 C +ATOM 3024 O HIS A 226 158.514 192.082 205.201 1.00 22.14 O +ATOM 3025 CB HIS A 226 156.142 193.117 206.064 1.00 21.07 C +ATOM 3026 CG HIS A 226 154.686 193.418 205.919 1.00 22.95 C +ATOM 3027 ND1 HIS A 226 154.042 193.383 204.703 1.00 25.38 N +ATOM 3028 CD2 HIS A 226 153.745 193.743 206.835 1.00 18.64 C +ATOM 3029 CE1 HIS A 226 152.767 193.679 204.872 1.00 29.20 C +ATOM 3030 NE2 HIS A 226 152.561 193.902 206.157 1.00 30.62 N +ATOM 3031 H HIS A 226 155.475 190.849 207.855 1.00 28.59 H +ATOM 3032 HA HIS A 226 155.825 191.118 205.783 1.00 28.97 H +ATOM 3033 HB2 HIS A 226 156.482 193.641 206.806 1.00 25.28 H +ATOM 3034 HB3 HIS A 226 156.584 193.382 205.243 1.00 25.28 H +ATOM 3035 HD2 HIS A 226 153.875 193.842 207.750 1.00 22.37 H +ATOM 3036 HE1 HIS A 226 152.125 193.725 204.201 1.00 35.04 H +ATOM 3037 HE2 HIS A 226 151.807 194.114 206.512 1.00 36.75 H +ATOM 3038 N GLY A 227 158.329 190.112 206.259 1.00 22.32 N +ATOM 3039 CA GLY A 227 159.641 189.671 205.837 1.00 25.50 C +ATOM 3040 C GLY A 227 160.131 188.434 206.557 1.00 23.78 C +ATOM 3041 O GLY A 227 159.346 187.562 206.929 1.00 24.64 O +ATOM 3042 H GLY A 227 157.907 189.551 206.756 1.00 26.79 H +ATOM 3043 HA2 GLY A 227 159.622 189.481 204.886 1.00 30.60 H +ATOM 3044 HA3 GLY A 227 160.281 190.384 205.990 1.00 30.60 H +ATOM 3045 N VAL A 228 161.442 188.371 206.755 1.00 22.91 N +ATOM 3046 CA VAL A 228 162.093 187.191 207.305 1.00 22.88 C +ATOM 3047 C VAL A 228 162.252 187.314 208.819 1.00 23.29 C +ATOM 3048 O VAL A 228 163.335 187.617 209.316 1.00 23.20 O +ATOM 3049 CB VAL A 228 163.471 186.968 206.649 1.00 22.05 C +ATOM 3050 CG1 VAL A 228 164.072 185.646 207.084 1.00 22.30 C +ATOM 3051 CG2 VAL A 228 163.344 187.005 205.132 1.00 22.96 C +ATOM 3052 H VAL A 228 161.986 189.013 206.575 1.00 27.49 H +ATOM 3053 HA VAL A 228 161.544 186.412 207.122 1.00 27.46 H +ATOM 3054 HB VAL A 228 164.073 187.678 206.921 1.00 26.46 H +ATOM 3055 HG11 VAL A 228 164.935 185.536 206.655 1.00 26.76 H +ATOM 3056 HG12 VAL A 228 164.178 185.650 208.048 1.00 26.76 H +ATOM 3057 HG13 VAL A 228 163.476 184.927 206.819 1.00 26.76 H +ATOM 3058 HG21 VAL A 228 164.219 186.863 204.738 1.00 27.56 H +ATOM 3059 HG22 VAL A 228 162.736 186.305 204.849 1.00 27.56 H +ATOM 3060 HG23 VAL A 228 162.998 187.872 204.866 1.00 27.56 H +ATOM 3061 N ASP A 229 161.161 187.076 209.544 1.00 23.38 N +ATOM 3062 CA ASP A 229 161.164 187.162 211.002 1.00 29.29 C +ATOM 3063 C ASP A 229 161.070 185.783 211.650 1.00 26.72 C +ATOM 3064 O ASP A 229 161.117 185.662 212.872 1.00 24.42 O +ATOM 3065 CB ASP A 229 160.017 188.058 211.483 1.00 25.33 C +ATOM 3066 CG ASP A 229 158.640 187.529 211.099 1.00 26.39 C +ATOM 3067 OD1 ASP A 229 158.550 186.507 210.388 1.00 25.65 O +ATOM 3068 OD2 ASP A 229 157.637 188.154 211.503 1.00 24.56 O +ATOM 3069 H ASP A 229 160.399 186.861 209.210 1.00 28.05 H +ATOM 3070 HA ASP A 229 161.997 187.567 211.289 1.00 35.15 H +ATOM 3071 HB2 ASP A 229 160.053 188.123 212.450 1.00 30.39 H +ATOM 3072 HB3 ASP A 229 160.120 188.938 211.088 1.00 30.39 H +ATOM 3073 N LEU A 230 160.951 184.752 210.819 1.00 25.86 N +ATOM 3074 CA LEU A 230 160.857 183.367 211.278 1.00 26.76 C +ATOM 3075 C LEU A 230 159.630 183.137 212.167 1.00 28.19 C +ATOM 3076 O LEU A 230 159.648 182.302 213.071 1.00 31.29 O +ATOM 3077 CB LEU A 230 162.145 182.959 212.009 1.00 28.18 C +ATOM 3078 CG LEU A 230 163.214 182.311 211.118 1.00 30.10 C +ATOM 3079 CD1 LEU A 230 163.588 183.206 209.947 1.00 28.56 C +ATOM 3080 CD2 LEU A 230 164.443 181.963 211.942 1.00 25.44 C +ATOM 3081 H LEU A 230 160.922 184.831 209.963 1.00 31.04 H +ATOM 3082 HA LEU A 230 160.767 182.792 210.502 1.00 32.11 H +ATOM 3083 HB2 LEU A 230 162.537 183.751 212.409 1.00 33.82 H +ATOM 3084 HB3 LEU A 230 161.917 182.322 212.704 1.00 33.82 H +ATOM 3085 HG LEU A 230 162.858 181.484 210.756 1.00 36.12 H +ATOM 3086 HD11 LEU A 230 164.263 182.760 209.413 1.00 34.27 H +ATOM 3087 HD12 LEU A 230 162.796 183.370 209.411 1.00 34.27 H +ATOM 3088 HD13 LEU A 230 163.936 184.044 210.289 1.00 34.27 H +ATOM 3089 HD21 LEU A 230 165.106 181.556 211.363 1.00 30.52 H +ATOM 3090 HD22 LEU A 230 164.800 182.776 212.334 1.00 30.52 H +ATOM 3091 HD23 LEU A 230 164.188 181.342 212.642 1.00 30.52 H +ATOM 3092 N ASN A 231 158.550 183.861 211.892 1.00 29.16 N +ATOM 3093 CA ASN A 231 157.306 183.653 212.621 1.00 28.53 C +ATOM 3094 C ASN A 231 156.740 182.262 212.359 1.00 22.54 C +ATOM 3095 O ASN A 231 155.944 181.750 213.141 1.00 26.79 O +ATOM 3096 CB ASN A 231 156.272 184.717 212.246 1.00 23.82 C +ATOM 3097 CG ASN A 231 155.619 184.454 210.907 1.00 26.12 C +ATOM 3098 OD1 ASN A 231 154.640 183.716 210.816 1.00 29.80 O +ATOM 3099 ND2 ASN A 231 156.152 185.064 209.857 1.00 30.44 N +ATOM 3100 H ASN A 231 158.511 184.475 211.291 1.00 34.99 H +ATOM 3101 HA ASN A 231 157.482 183.730 213.571 1.00 34.23 H +ATOM 3102 HB2 ASN A 231 155.576 184.732 212.921 1.00 28.59 H +ATOM 3103 HB3 ASN A 231 156.710 185.581 212.202 1.00 28.59 H +ATOM 3104 HD21 ASN A 231 155.816 184.946 209.075 1.00 36.53 H +ATOM 3105 HD22 ASN A 231 156.834 185.578 209.960 1.00 36.53 H +ATOM 3106 N HIS A 232 157.157 181.646 211.258 1.00 28.01 N +ATOM 3107 CA HIS A 232 156.706 180.298 210.934 1.00 29.54 C +ATOM 3108 C HIS A 232 157.426 179.253 211.789 1.00 28.41 C +ATOM 3109 O HIS A 232 157.092 178.072 211.744 1.00 23.90 O +ATOM 3110 CB HIS A 232 156.899 180.000 209.441 1.00 27.38 C +ATOM 3111 CG HIS A 232 158.325 180.012 208.988 1.00 22.09 C +ATOM 3112 ND1 HIS A 232 159.309 180.742 209.620 1.00 28.44 N +ATOM 3113 CD2 HIS A 232 158.930 179.386 207.952 1.00 29.31 C +ATOM 3114 CE1 HIS A 232 160.458 180.562 208.996 1.00 26.47 C +ATOM 3115 NE2 HIS A 232 160.255 179.742 207.982 1.00 28.48 N +ATOM 3116 H HIS A 232 157.699 181.987 210.684 1.00 33.61 H +ATOM 3117 HA HIS A 232 155.758 180.233 211.127 1.00 35.44 H +ATOM 3118 HB2 HIS A 232 156.537 179.120 209.251 1.00 32.85 H +ATOM 3119 HB3 HIS A 232 156.421 180.669 208.927 1.00 32.85 H +ATOM 3120 HD2 HIS A 232 158.524 178.818 207.337 1.00 35.17 H +ATOM 3121 HE1 HIS A 232 161.272 180.946 209.233 1.00 31.76 H +ATOM 3122 HE2 HIS A 232 160.856 179.476 207.427 1.00 34.18 H +ATOM 3123 N ILE A 233 158.407 179.700 212.567 1.00 26.89 N +ATOM 3124 CA ILE A 233 159.042 178.862 213.578 1.00 27.19 C +ATOM 3125 C ILE A 233 158.561 179.256 214.973 1.00 27.64 C +ATOM 3126 O ILE A 233 158.209 178.400 215.784 1.00 23.86 O +ATOM 3127 CB ILE A 233 160.581 178.970 213.520 1.00 24.52 C +ATOM 3128 CG1 ILE A 233 161.101 178.371 212.213 1.00 28.34 C +ATOM 3129 CG2 ILE A 233 161.223 178.256 214.712 1.00 21.05 C +ATOM 3130 CD1 ILE A 233 162.549 178.676 211.930 1.00 27.69 C +ATOM 3131 H ILE A 233 158.727 180.497 212.528 1.00 32.27 H +ATOM 3132 HA ILE A 233 158.797 177.936 213.424 1.00 32.63 H +ATOM 3133 HB ILE A 233 160.828 179.908 213.551 1.00 29.42 H +ATOM 3134 HG12 ILE A 233 161.004 177.406 212.253 1.00 34.00 H +ATOM 3135 HG13 ILE A 233 160.575 178.723 211.478 1.00 34.00 H +ATOM 3136 HG21 ILE A 233 162.187 178.341 214.649 1.00 25.26 H +ATOM 3137 HG22 ILE A 233 160.907 178.667 215.532 1.00 25.26 H +ATOM 3138 HG23 ILE A 233 160.970 177.320 214.692 1.00 25.26 H +ATOM 3139 HD11 ILE A 233 162.800 178.263 211.089 1.00 33.22 H +ATOM 3140 HD12 ILE A 233 162.664 179.637 211.874 1.00 33.22 H +ATOM 3141 HD13 ILE A 233 163.093 178.319 212.649 1.00 33.22 H +ATOM 3142 N TYR A 234 158.533 180.559 215.234 1.00 24.66 N +ATOM 3143 CA TYR A 234 158.324 181.075 216.584 1.00 25.32 C +ATOM 3144 C TYR A 234 156.909 181.573 216.853 1.00 24.26 C +ATOM 3145 O TYR A 234 156.559 181.855 217.997 1.00 27.07 O +ATOM 3146 CB TYR A 234 159.314 182.207 216.856 1.00 24.31 C +ATOM 3147 CG TYR A 234 160.751 181.765 216.757 1.00 24.25 C +ATOM 3148 CD1 TYR A 234 161.298 180.915 217.708 1.00 28.46 C +ATOM 3149 CD2 TYR A 234 161.560 182.188 215.712 1.00 26.91 C +ATOM 3150 CE1 TYR A 234 162.610 180.500 217.623 1.00 30.33 C +ATOM 3151 CE2 TYR A 234 162.876 181.777 215.620 1.00 28.39 C +ATOM 3152 CZ TYR A 234 163.394 180.936 216.577 1.00 26.19 C +ATOM 3153 OH TYR A 234 164.701 180.526 216.492 1.00 23.63 O +ATOM 3154 H TYR A 234 158.634 181.172 214.640 1.00 29.59 H +ATOM 3155 HA TYR A 234 158.509 180.364 217.217 1.00 30.39 H +ATOM 3156 HB2 TYR A 234 159.173 182.913 216.206 1.00 29.17 H +ATOM 3157 HB3 TYR A 234 159.166 182.547 217.752 1.00 29.17 H +ATOM 3158 HD1 TYR A 234 160.770 180.620 218.414 1.00 34.15 H +ATOM 3159 HD2 TYR A 234 161.211 182.756 215.064 1.00 32.29 H +ATOM 3160 HE1 TYR A 234 162.964 179.932 218.268 1.00 36.40 H +ATOM 3161 HE2 TYR A 234 163.408 182.069 214.915 1.00 34.07 H +ATOM 3162 HH TYR A 234 165.063 180.861 215.813 1.00 28.36 H +ATOM 3163 N GLY A 235 156.100 181.683 215.805 1.00 24.49 N +ATOM 3164 CA GLY A 235 154.744 182.184 215.944 1.00 20.99 C +ATOM 3165 C GLY A 235 154.665 183.677 215.686 1.00 23.79 C +ATOM 3166 O GLY A 235 155.604 184.419 215.970 1.00 23.30 O +ATOM 3167 H GLY A 235 156.316 181.472 215.000 1.00 29.39 H +ATOM 3168 HA2 GLY A 235 154.164 181.730 215.313 1.00 25.19 H +ATOM 3169 HA3 GLY A 235 154.423 182.008 216.842 1.00 25.19 H +ATOM 3170 N GLU A 236 153.535 184.113 215.145 1.00 27.13 N +ATOM 3171 CA GLU A 236 153.333 185.516 214.800 1.00 23.76 C +ATOM 3172 C GLU A 236 153.204 186.393 216.043 1.00 31.52 C +ATOM 3173 O GLU A 236 153.739 187.500 216.084 1.00 33.26 O +ATOM 3174 CB GLU A 236 152.090 185.656 213.915 1.00 30.39 C +ATOM 3175 CG GLU A 236 151.715 187.087 213.538 1.00 38.19 C +ATOM 3176 CD GLU A 236 152.670 187.724 212.541 1.00 30.90 C +ATOM 3177 OE1 GLU A 236 153.338 186.991 211.781 1.00 28.48 O +ATOM 3178 OE2 GLU A 236 152.747 188.969 212.514 1.00 30.56 O +ATOM 3179 H GLU A 236 152.861 183.611 214.965 1.00 32.55 H +ATOM 3180 HA GLU A 236 154.098 185.828 214.292 1.00 28.51 H +ATOM 3181 HB2 GLU A 236 152.242 185.168 213.091 1.00 36.46 H +ATOM 3182 HB3 GLU A 236 151.333 185.271 214.385 1.00 36.46 H +ATOM 3183 HG2 GLU A 236 150.830 187.084 213.141 1.00 45.82 H +ATOM 3184 HG3 GLU A 236 151.715 187.632 214.340 1.00 45.82 H +ATOM 3185 N THR A 237 152.497 185.898 217.055 1.00 33.24 N +ATOM 3186 CA THR A 237 152.239 186.674 218.267 1.00 27.62 C +ATOM 3187 C THR A 237 153.062 186.175 219.446 1.00 33.13 C +ATOM 3188 O THR A 237 153.543 185.043 219.447 1.00 28.81 O +ATOM 3189 CB THR A 237 150.753 186.628 218.663 1.00 27.48 C +ATOM 3190 OG1 THR A 237 150.396 185.291 219.037 1.00 33.45 O +ATOM 3191 CG2 THR A 237 149.873 187.092 217.510 1.00 26.95 C +ATOM 3192 H THR A 237 152.154 185.110 217.065 1.00 39.89 H +ATOM 3193 HA THR A 237 152.477 187.600 218.105 1.00 33.15 H +ATOM 3194 HB THR A 237 150.605 187.221 219.416 1.00 32.98 H +ATOM 3195 HG1 THR A 237 149.585 185.261 219.254 1.00 40.14 H +ATOM 3196 HG21 THR A 237 148.940 187.058 217.771 1.00 32.34 H +ATOM 3197 HG22 THR A 237 150.100 188.003 217.266 1.00 32.34 H +ATOM 3198 HG23 THR A 237 150.006 186.517 216.740 1.00 32.34 H +ATOM 3199 N LEU A 238 153.221 187.032 220.448 1.00 29.19 N +ATOM 3200 CA LEU A 238 153.918 186.651 221.666 1.00 34.33 C +ATOM 3201 C LEU A 238 153.169 185.524 222.366 1.00 32.98 C +ATOM 3202 O LEU A 238 153.776 184.658 222.990 1.00 30.77 O +ATOM 3203 CB LEU A 238 154.064 187.851 222.603 1.00 28.40 C +ATOM 3204 CG LEU A 238 154.743 187.565 223.945 1.00 26.84 C +ATOM 3205 CD1 LEU A 238 156.196 187.203 223.739 1.00 30.25 C +ATOM 3206 CD2 LEU A 238 154.612 188.751 224.882 1.00 36.97 C +ATOM 3207 H LEU A 238 152.932 187.842 220.446 1.00 35.03 H +ATOM 3208 HA LEU A 238 154.806 186.332 221.440 1.00 41.20 H +ATOM 3209 HB2 LEU A 238 154.589 188.530 222.151 1.00 34.08 H +ATOM 3210 HB3 LEU A 238 153.179 188.200 222.794 1.00 34.08 H +ATOM 3211 HG LEU A 238 154.305 186.807 224.363 1.00 32.21 H +ATOM 3212 HD11 LEU A 238 156.603 187.027 224.602 1.00 36.30 H +ATOM 3213 HD12 LEU A 238 156.248 186.411 223.181 1.00 36.30 H +ATOM 3214 HD13 LEU A 238 156.648 187.944 223.306 1.00 36.30 H +ATOM 3215 HD21 LEU A 238 155.051 188.541 225.721 1.00 44.37 H +ATOM 3216 HD22 LEU A 238 155.032 189.524 224.473 1.00 44.37 H +ATOM 3217 HD23 LEU A 238 153.671 188.929 225.035 1.00 44.37 H +ATOM 3218 N ALA A 239 151.847 185.536 222.246 1.00 30.39 N +ATOM 3219 CA ALA A 239 151.013 184.531 222.894 1.00 29.96 C +ATOM 3220 C ALA A 239 151.296 183.139 222.339 1.00 30.38 C +ATOM 3221 O ALA A 239 151.381 182.170 223.091 1.00 34.14 O +ATOM 3222 CB ALA A 239 149.547 184.878 222.725 1.00 26.10 C +ATOM 3223 H ALA A 239 151.405 186.118 221.793 1.00 36.46 H +ATOM 3224 HA ALA A 239 151.211 184.521 223.843 1.00 35.95 H +ATOM 3225 HB1 ALA A 239 149.010 184.198 223.162 1.00 31.32 H +ATOM 3226 HB2 ALA A 239 149.379 185.743 223.129 1.00 31.32 H +ATOM 3227 HB3 ALA A 239 149.337 184.908 221.778 1.00 31.32 H +ATOM 3228 N ARG A 240 151.442 183.040 221.022 1.00 33.16 N +ATOM 3229 CA ARG A 240 151.753 181.763 220.392 1.00 32.12 C +ATOM 3230 C ARG A 240 153.188 181.346 220.705 1.00 27.46 C +ATOM 3231 O ARG A 240 153.451 180.183 221.009 1.00 27.97 O +ATOM 3232 CB ARG A 240 151.542 181.839 218.882 1.00 30.28 C +ATOM 3233 CG ARG A 240 151.673 180.501 218.185 1.00 30.47 C +ATOM 3234 CD ARG A 240 151.230 180.581 216.737 1.00 31.76 C +ATOM 3235 NE ARG A 240 151.337 179.287 216.069 1.00 37.64 N +ATOM 3236 CZ ARG A 240 150.393 178.351 216.078 1.00 39.58 C +ATOM 3237 NH1 ARG A 240 149.251 178.549 216.720 1.00 54.49 N +ATOM 3238 NH2 ARG A 240 150.593 177.206 215.440 1.00 37.42 N +ATOM 3239 H ARG A 240 151.367 183.697 220.472 1.00 39.80 H +ATOM 3240 HA ARG A 240 151.158 181.083 220.745 1.00 38.55 H +ATOM 3241 HB2 ARG A 240 150.651 182.180 218.707 1.00 36.33 H +ATOM 3242 HB3 ARG A 240 152.204 182.438 218.503 1.00 36.33 H +ATOM 3243 HG2 ARG A 240 152.602 180.221 218.203 1.00 36.57 H +ATOM 3244 HG3 ARG A 240 151.116 179.849 218.638 1.00 36.57 H +ATOM 3245 HD2 ARG A 240 150.303 180.865 216.702 1.00 38.11 H +ATOM 3246 HD3 ARG A 240 151.793 181.214 216.265 1.00 38.11 H +ATOM 3247 HE ARG A 240 152.062 179.119 215.639 1.00 45.16 H +ATOM 3248 HH11 ARG A 240 149.115 179.289 217.137 1.00 65.38 H +ATOM 3249 HH12 ARG A 240 148.646 177.938 216.720 1.00 65.38 H +ATOM 3250 HH21 ARG A 240 151.332 177.070 215.021 1.00 44.90 H +ATOM 3251 HH22 ARG A 240 149.983 176.599 215.443 1.00 44.90 H +ATOM 3252 N GLN A 241 154.107 182.303 220.630 1.00 23.72 N +ATOM 3253 CA GLN A 241 155.502 182.062 220.977 1.00 27.98 C +ATOM 3254 C GLN A 241 155.613 181.437 222.364 1.00 28.48 C +ATOM 3255 O GLN A 241 156.383 180.504 222.577 1.00 27.05 O +ATOM 3256 CB GLN A 241 156.302 183.366 220.927 1.00 24.29 C +ATOM 3257 CG GLN A 241 157.802 183.179 221.108 1.00 23.93 C +ATOM 3258 CD GLN A 241 158.514 184.456 221.501 1.00 30.88 C +ATOM 3259 OE1 GLN A 241 158.924 184.619 222.648 1.00 32.17 O +ATOM 3260 NE2 GLN A 241 158.677 185.363 220.547 1.00 37.89 N +ATOM 3261 H GLN A 241 153.945 183.109 220.379 1.00 28.47 H +ATOM 3262 HA GLN A 241 155.887 181.445 220.335 1.00 33.58 H +ATOM 3263 HB2 GLN A 241 156.159 183.787 220.065 1.00 29.15 H +ATOM 3264 HB3 GLN A 241 155.990 183.951 221.634 1.00 29.15 H +ATOM 3265 HG2 GLN A 241 157.956 182.523 221.806 1.00 28.71 H +ATOM 3266 HG3 GLN A 241 158.184 182.868 220.272 1.00 28.71 H +ATOM 3267 HE21 GLN A 241 158.384 185.211 219.754 1.00 45.46 H +ATOM 3268 HE22 GLN A 241 159.076 186.105 220.723 1.00 45.46 H +ATOM 3269 N ARG A 242 154.829 181.956 223.300 1.00 36.14 N +ATOM 3270 CA ARG A 242 154.880 181.501 224.681 1.00 34.08 C +ATOM 3271 C ARG A 242 154.391 180.062 224.836 1.00 30.67 C +ATOM 3272 O ARG A 242 154.840 179.340 225.721 1.00 32.48 O +ATOM 3273 CB ARG A 242 154.059 182.437 225.565 1.00 28.81 C +ATOM 3274 CG ARG A 242 154.776 183.737 225.882 1.00 30.83 C +ATOM 3275 CD ARG A 242 153.967 184.609 226.811 1.00 33.29 C +ATOM 3276 NE ARG A 242 154.716 185.788 227.232 1.00 40.80 N +ATOM 3277 CZ ARG A 242 154.288 186.664 228.136 1.00 52.49 C +ATOM 3278 NH1 ARG A 242 153.109 186.497 228.722 1.00 40.23 N +ATOM 3279 NH2 ARG A 242 155.041 187.706 228.457 1.00 53.54 N +ATOM 3280 H ARG A 242 154.253 182.579 223.159 1.00 43.37 H +ATOM 3281 HA ARG A 242 155.800 181.535 224.987 1.00 40.90 H +ATOM 3282 HB2 ARG A 242 153.232 182.655 225.109 1.00 34.58 H +ATOM 3283 HB3 ARG A 242 153.867 181.989 226.404 1.00 34.58 H +ATOM 3284 HG2 ARG A 242 155.622 183.539 226.313 1.00 36.99 H +ATOM 3285 HG3 ARG A 242 154.926 184.228 225.059 1.00 36.99 H +ATOM 3286 HD2 ARG A 242 153.166 184.906 226.353 1.00 39.95 H +ATOM 3287 HD3 ARG A 242 153.732 184.100 227.603 1.00 39.95 H +ATOM 3288 HE ARG A 242 155.484 185.926 226.872 1.00 48.96 H +ATOM 3289 HH11 ARG A 242 152.618 185.821 228.517 1.00 48.28 H +ATOM 3290 HH12 ARG A 242 152.835 187.066 229.306 1.00 48.28 H +ATOM 3291 HH21 ARG A 242 155.806 187.817 228.079 1.00 64.25 H +ATOM 3292 HH22 ARG A 242 154.765 188.273 229.041 1.00 64.25 H +ATOM 3293 N LYS A 243 153.478 179.648 223.966 1.00 29.56 N +ATOM 3294 CA LYS A 243 152.992 178.276 223.973 1.00 30.79 C +ATOM 3295 C LYS A 243 154.039 177.303 223.438 1.00 34.55 C +ATOM 3296 O LYS A 243 154.095 176.150 223.859 1.00 36.92 O +ATOM 3297 CB LYS A 243 151.715 178.163 223.145 1.00 28.98 C +ATOM 3298 CG LYS A 243 150.504 178.809 223.791 1.00 35.76 C +ATOM 3299 CD LYS A 243 149.291 178.730 222.888 1.00 46.06 C +ATOM 3300 CE LYS A 243 148.039 179.204 223.604 1.00 47.51 C +ATOM 3301 NZ LYS A 243 146.847 179.175 222.716 1.00 63.58 N +ATOM 3302 H LYS A 243 153.123 180.143 223.360 1.00 35.47 H +ATOM 3303 HA LYS A 243 152.783 178.019 224.884 1.00 36.95 H +ATOM 3304 HB2 LYS A 243 151.859 178.596 222.288 1.00 34.78 H +ATOM 3305 HB3 LYS A 243 151.512 177.225 223.009 1.00 34.78 H +ATOM 3306 HG2 LYS A 243 150.298 178.347 224.619 1.00 42.91 H +ATOM 3307 HG3 LYS A 243 150.694 179.744 223.965 1.00 42.91 H +ATOM 3308 HD2 LYS A 243 149.431 179.296 222.113 1.00 55.27 H +ATOM 3309 HD3 LYS A 243 149.155 177.810 222.613 1.00 55.27 H +ATOM 3310 HE2 LYS A 243 147.866 178.623 224.361 1.00 57.01 H +ATOM 3311 HE3 LYS A 243 148.170 180.117 223.905 1.00 57.01 H +ATOM 3312 HZ1 LYS A 243 146.130 179.457 223.161 1.00 76.30 H +ATOM 3313 HZ2 LYS A 243 146.979 179.705 222.014 1.00 76.30 H +ATOM 3314 HZ3 LYS A 243 146.702 178.345 222.430 1.00 76.30 H +ATOM 3315 N LEU A 244 154.870 177.777 222.515 1.00 38.73 N +ATOM 3316 CA LEU A 244 155.839 176.927 221.830 1.00 27.70 C +ATOM 3317 C LEU A 244 157.180 176.845 222.556 1.00 29.06 C +ATOM 3318 O LEU A 244 157.959 175.924 222.317 1.00 33.28 O +ATOM 3319 CB LEU A 244 156.066 177.436 220.403 1.00 25.77 C +ATOM 3320 CG LEU A 244 154.870 177.377 219.451 1.00 23.69 C +ATOM 3321 CD1 LEU A 244 155.212 178.061 218.134 1.00 28.32 C +ATOM 3322 CD2 LEU A 244 154.434 175.943 219.207 1.00 25.12 C +ATOM 3323 H LEU A 244 154.893 178.599 222.264 1.00 46.47 H +ATOM 3324 HA LEU A 244 155.479 176.028 221.771 1.00 33.24 H +ATOM 3325 HB2 LEU A 244 156.346 178.364 220.453 1.00 30.92 H +ATOM 3326 HB3 LEU A 244 156.776 176.910 220.003 1.00 30.92 H +ATOM 3327 HG LEU A 244 154.125 177.852 219.850 1.00 28.43 H +ATOM 3328 HD11 LEU A 244 154.443 178.013 217.544 1.00 33.98 H +ATOM 3329 HD12 LEU A 244 155.438 178.988 218.309 1.00 33.98 H +ATOM 3330 HD13 LEU A 244 155.968 177.606 217.729 1.00 33.98 H +ATOM 3331 HD21 LEU A 244 153.676 175.943 218.601 1.00 30.15 H +ATOM 3332 HD22 LEU A 244 155.172 175.451 218.814 1.00 30.15 H +ATOM 3333 HD23 LEU A 244 154.181 175.542 220.053 1.00 30.15 H +ATOM 3334 N ARG A 245 157.455 177.809 223.427 1.00 28.18 N +ATOM 3335 CA ARG A 245 158.740 177.862 224.119 1.00 28.99 C +ATOM 3336 C ARG A 245 158.765 176.969 225.356 1.00 32.52 C +ATOM 3337 O ARG A 245 157.733 176.697 225.971 1.00 35.96 O +ATOM 3338 CB ARG A 245 159.077 179.304 224.513 1.00 28.76 C +ATOM 3339 CG ARG A 245 159.653 180.142 223.379 1.00 24.76 C +ATOM 3340 CD ARG A 245 159.910 181.583 223.804 1.00 26.37 C +ATOM 3341 NE ARG A 245 160.840 181.686 224.927 1.00 26.29 N +ATOM 3342 CZ ARG A 245 161.180 182.828 225.518 1.00 28.39 C +ATOM 3343 NH1 ARG A 245 160.669 183.977 225.097 1.00 30.10 N +ATOM 3344 NH2 ARG A 245 162.032 182.826 226.532 1.00 24.59 N +ATOM 3345 H ARG A 245 156.915 178.445 223.636 1.00 33.82 H +ATOM 3346 HA ARG A 245 159.432 177.551 223.515 1.00 34.79 H +ATOM 3347 HB2 ARG A 245 158.267 179.740 224.820 1.00 34.51 H +ATOM 3348 HB3 ARG A 245 159.731 179.286 225.228 1.00 34.51 H +ATOM 3349 HG2 ARG A 245 160.496 179.755 223.095 1.00 29.72 H +ATOM 3350 HG3 ARG A 245 159.024 180.152 222.641 1.00 29.72 H +ATOM 3351 HD2 ARG A 245 160.290 182.070 223.056 1.00 31.65 H +ATOM 3352 HD3 ARG A 245 159.071 181.988 224.072 1.00 31.65 H +ATOM 3353 HE ARG A 245 161.190 180.960 225.226 1.00 31.54 H +ATOM 3354 HH11 ARG A 245 160.116 183.986 224.439 1.00 36.13 H +ATOM 3355 HH12 ARG A 245 160.892 184.713 225.482 1.00 36.13 H +ATOM 3356 HH21 ARG A 245 162.367 182.084 226.811 1.00 29.50 H +ATOM 3357 HH22 ARG A 245 162.250 183.566 226.912 1.00 29.50 H +ATOM 3358 N LEU A 246 159.963 176.520 225.714 1.00 37.64 N +ATOM 3359 CA LEU A 246 160.164 175.667 226.877 1.00 40.15 C +ATOM 3360 C LEU A 246 160.427 176.501 228.129 1.00 39.11 C +ATOM 3361 O LEU A 246 160.190 176.050 229.248 1.00 34.56 O +ATOM 3362 CB LEU A 246 161.328 174.706 226.622 1.00 41.65 C +ATOM 3363 CG LEU A 246 161.644 173.667 227.698 1.00 38.46 C +ATOM 3364 CD1 LEU A 246 160.442 172.778 227.973 1.00 42.41 C +ATOM 3365 CD2 LEU A 246 162.838 172.833 227.273 1.00 39.18 C +ATOM 3366 H LEU A 246 160.689 176.700 225.289 1.00 45.17 H +ATOM 3367 HA LEU A 246 159.364 175.140 227.028 1.00 48.19 H +ATOM 3368 HB2 LEU A 246 161.139 174.219 225.805 1.00 49.98 H +ATOM 3369 HB3 LEU A 246 162.131 175.236 226.496 1.00 49.98 H +ATOM 3370 HG LEU A 246 161.874 174.124 228.521 1.00 46.15 H +ATOM 3371 HD11 LEU A 246 160.678 172.133 228.658 1.00 50.90 H +ATOM 3372 HD12 LEU A 246 159.705 173.329 228.276 1.00 50.90 H +ATOM 3373 HD13 LEU A 246 160.197 172.317 227.155 1.00 50.90 H +ATOM 3374 HD21 LEU A 246 163.027 172.178 227.963 1.00 47.01 H +ATOM 3375 HD22 LEU A 246 162.628 172.383 226.439 1.00 47.01 H +ATOM 3376 HD23 LEU A 246 163.603 173.416 227.151 1.00 47.01 H +ATOM 3377 N PHE A 247 160.921 177.720 227.918 1.00 31.72 N +ATOM 3378 CA PHE A 247 161.289 178.632 229.002 1.00 34.37 C +ATOM 3379 C PHE A 247 162.350 178.009 229.906 1.00 36.10 C +ATOM 3380 O PHE A 247 162.419 178.285 231.102 1.00 32.65 O +ATOM 3381 CB PHE A 247 160.050 179.050 229.798 1.00 26.47 C +ATOM 3382 CG PHE A 247 159.160 179.988 229.045 1.00 26.84 C +ATOM 3383 CD1 PHE A 247 159.520 181.313 228.885 1.00 29.77 C +ATOM 3384 CD2 PHE A 247 157.985 179.542 228.471 1.00 30.44 C +ATOM 3385 CE1 PHE A 247 158.719 182.181 228.179 1.00 27.97 C +ATOM 3386 CE2 PHE A 247 157.179 180.408 227.763 1.00 34.79 C +ATOM 3387 CZ PHE A 247 157.548 181.730 227.618 1.00 39.32 C +ATOM 3388 H PHE A 247 161.055 178.051 227.136 1.00 38.06 H +ATOM 3389 HA PHE A 247 161.671 179.435 228.613 1.00 41.25 H +ATOM 3390 HB2 PHE A 247 159.534 178.258 230.017 1.00 31.77 H +ATOM 3391 HB3 PHE A 247 160.334 179.495 230.612 1.00 31.77 H +ATOM 3392 HD1 PHE A 247 160.311 181.623 229.262 1.00 35.73 H +ATOM 3393 HD2 PHE A 247 157.734 178.652 228.565 1.00 36.53 H +ATOM 3394 HE1 PHE A 247 158.969 183.072 228.084 1.00 33.56 H +ATOM 3395 HE2 PHE A 247 156.386 180.102 227.384 1.00 41.75 H +ATOM 3396 HZ PHE A 247 157.003 182.316 227.143 1.00 47.19 H +ATOM 3397 N LYS A 248 163.178 177.171 229.294 1.00 40.76 N +ATOM 3398 CA LYS A 248 164.377 176.638 229.916 1.00 34.66 C +ATOM 3399 C LYS A 248 165.491 176.678 228.880 1.00 35.78 C +ATOM 3400 O LYS A 248 165.338 176.155 227.776 1.00 37.02 O +ATOM 3401 CB LYS A 248 164.141 175.211 230.424 1.00 54.09 C +ATOM 3402 CG LYS A 248 165.405 174.386 230.671 1.00 51.05 C +ATOM 3403 CD LYS A 248 165.062 172.920 230.892 1.00 66.63 C +ATOM 3404 CE LYS A 248 166.170 172.001 230.382 1.00 87.83 C +ATOM 3405 NZ LYS A 248 165.682 170.611 230.151 1.00 70.47 N +ATOM 3406 H LYS A 248 163.059 176.889 228.490 1.00 48.91 H +ATOM 3407 HA LYS A 248 164.631 177.196 230.668 1.00 41.59 H +ATOM 3408 HB2 LYS A 248 163.656 175.260 231.263 1.00 64.90 H +ATOM 3409 HB3 LYS A 248 163.606 174.736 229.769 1.00 64.90 H +ATOM 3410 HG2 LYS A 248 165.988 174.450 229.899 1.00 61.26 H +ATOM 3411 HG3 LYS A 248 165.856 174.717 231.464 1.00 61.26 H +ATOM 3412 HD2 LYS A 248 164.946 172.758 231.841 1.00 79.95 H +ATOM 3413 HD3 LYS A 248 164.246 172.707 230.412 1.00 79.95 H +ATOM 3414 HE2 LYS A 248 166.509 172.346 229.542 1.00105.40 H +ATOM 3415 HE3 LYS A 248 166.882 171.966 231.040 1.00105.40 H +ATOM 3416 HZ1 LYS A 248 166.348 170.100 229.856 1.00 84.56 H +ATOM 3417 HZ2 LYS A 248 165.370 170.269 230.911 1.00 84.56 H +ATOM 3418 HZ3 LYS A 248 165.029 170.615 229.546 1.00 84.56 H +ATOM 3419 N ASP A 249 166.600 177.319 229.233 1.00 27.64 N +ATOM 3420 CA ASP A 249 167.780 177.363 228.372 1.00 45.14 C +ATOM 3421 C ASP A 249 167.487 177.975 227.003 1.00 46.66 C +ATOM 3422 O ASP A 249 168.188 177.693 226.031 1.00 40.73 O +ATOM 3423 CB ASP A 249 168.355 175.955 228.197 1.00 56.50 C +ATOM 3424 CG ASP A 249 168.786 175.337 229.510 1.00 55.31 C +ATOM 3425 OD1 ASP A 249 169.151 176.097 230.432 1.00 58.79 O +ATOM 3426 OD2 ASP A 249 168.760 174.094 229.619 1.00 56.40 O +ATOM 3427 H ASP A 249 166.697 177.742 229.975 1.00 33.17 H +ATOM 3428 HA ASP A 249 168.457 177.909 228.801 1.00 54.17 H +ATOM 3429 HB2 ASP A 249 167.678 175.382 227.803 1.00 67.80 H +ATOM 3430 HB3 ASP A 249 169.131 176.000 227.617 1.00 67.80 H +ATOM 3431 N GLY A 250 166.452 178.808 226.932 1.00 36.66 N +ATOM 3432 CA GLY A 250 166.122 179.521 225.710 1.00 35.64 C +ATOM 3433 C GLY A 250 165.503 178.644 224.641 1.00 36.04 C +ATOM 3434 O GLY A 250 165.294 179.084 223.512 1.00 35.12 O +ATOM 3435 H GLY A 250 165.922 178.977 227.587 1.00 43.99 H +ATOM 3436 HA2 GLY A 250 165.498 180.234 225.916 1.00 42.77 H +ATOM 3437 HA3 GLY A 250 166.928 179.919 225.346 1.00 42.77 H +ATOM 3438 N LYS A 251 165.185 177.409 225.004 1.00 36.49 N +ATOM 3439 CA LYS A 251 164.803 176.403 224.022 1.00 34.25 C +ATOM 3440 C LYS A 251 163.323 176.419 223.663 1.00 26.37 C +ATOM 3441 O LYS A 251 162.507 177.051 224.328 1.00 32.12 O +ATOM 3442 CB LYS A 251 165.190 175.014 224.530 1.00 43.48 C +ATOM 3443 CG LYS A 251 166.667 174.716 224.353 1.00 43.20 C +ATOM 3444 CD LYS A 251 167.051 173.352 224.875 1.00 42.93 C +ATOM 3445 CE LYS A 251 168.510 173.060 224.566 1.00 52.04 C +ATOM 3446 NZ LYS A 251 168.901 171.667 224.902 1.00 48.12 N +ATOM 3447 H LYS A 251 165.183 177.126 225.816 1.00 43.79 H +ATOM 3448 HA LYS A 251 165.302 176.566 223.206 1.00 41.10 H +ATOM 3449 HB2 LYS A 251 164.984 174.955 225.476 1.00 52.18 H +ATOM 3450 HB3 LYS A 251 164.688 174.346 224.038 1.00 52.18 H +ATOM 3451 HG2 LYS A 251 166.885 174.749 223.409 1.00 51.84 H +ATOM 3452 HG3 LYS A 251 167.183 175.379 224.837 1.00 51.84 H +ATOM 3453 HD2 LYS A 251 166.930 173.327 225.837 1.00 51.52 H +ATOM 3454 HD3 LYS A 251 166.504 172.675 224.446 1.00 51.52 H +ATOM 3455 HE2 LYS A 251 168.665 173.195 223.618 1.00 62.45 H +ATOM 3456 HE3 LYS A 251 169.069 173.662 225.082 1.00 62.45 H +ATOM 3457 HZ1 LYS A 251 169.759 171.536 224.707 1.00 57.74 H +ATOM 3458 HZ2 LYS A 251 168.776 171.518 225.771 1.00 57.74 H +ATOM 3459 HZ3 LYS A 251 168.407 171.092 224.436 1.00 57.74 H +ATOM 3460 N MET A 252 163.007 175.717 222.582 1.00 27.06 N +ATOM 3461 CA MET A 252 161.636 175.507 222.144 1.00 31.16 C +ATOM 3462 C MET A 252 161.180 174.118 222.579 1.00 37.37 C +ATOM 3463 O MET A 252 161.980 173.185 222.597 1.00 34.58 O +ATOM 3464 CB MET A 252 161.541 175.654 220.624 1.00 36.29 C +ATOM 3465 CG MET A 252 161.834 177.057 220.119 1.00 32.31 C +ATOM 3466 SD MET A 252 160.436 178.175 220.311 1.00 29.94 S +ATOM 3467 CE MET A 252 159.435 177.686 218.911 1.00 26.23 C +ATOM 3468 H MET A 252 163.588 175.341 222.072 1.00 32.48 H +ATOM 3469 HA MET A 252 161.063 176.175 222.551 1.00 37.39 H +ATOM 3470 HB2 MET A 252 162.180 175.051 220.212 1.00 43.55 H +ATOM 3471 HB3 MET A 252 160.642 175.421 220.344 1.00 43.55 H +ATOM 3472 HG2 MET A 252 162.581 177.423 220.619 1.00 38.78 H +ATOM 3473 HG3 MET A 252 162.056 177.013 219.176 1.00 38.78 H +ATOM 3474 HE1 MET A 252 158.629 178.225 218.896 1.00 31.48 H +ATOM 3475 HE2 MET A 252 159.943 177.827 218.096 1.00 31.48 H +ATOM 3476 HE3 MET A 252 159.205 176.748 219.000 1.00 31.48 H +ATOM 3477 N LYS A 253 159.906 173.985 222.940 1.00 28.95 N +ATOM 3478 CA LYS A 253 159.347 172.688 223.317 1.00 34.62 C +ATOM 3479 C LYS A 253 159.559 171.666 222.206 1.00 34.99 C +ATOM 3480 O LYS A 253 159.667 172.029 221.038 1.00 39.15 O +ATOM 3481 CB LYS A 253 157.854 172.809 223.631 1.00 39.68 C +ATOM 3482 CG LYS A 253 157.527 173.429 224.984 1.00 32.57 C +ATOM 3483 CD LYS A 253 156.046 173.275 225.301 1.00 47.27 C +ATOM 3484 CE LYS A 253 155.692 173.798 226.685 1.00 40.21 C +ATOM 3485 NZ LYS A 253 154.999 175.121 226.627 1.00 64.66 N +ATOM 3486 H LYS A 253 159.342 174.633 222.976 1.00 34.74 H +ATOM 3487 HA LYS A 253 159.798 172.367 224.114 1.00 41.55 H +ATOM 3488 HB2 LYS A 253 157.439 173.360 222.948 1.00 47.62 H +ATOM 3489 HB3 LYS A 253 157.462 171.921 223.613 1.00 47.62 H +ATOM 3490 HG2 LYS A 253 158.037 172.981 225.676 1.00 39.08 H +ATOM 3491 HG3 LYS A 253 157.740 174.375 224.965 1.00 39.08 H +ATOM 3492 HD2 LYS A 253 155.529 173.774 224.650 1.00 56.73 H +ATOM 3493 HD3 LYS A 253 155.810 172.335 225.265 1.00 56.73 H +ATOM 3494 HE2 LYS A 253 155.100 173.165 227.121 1.00 48.25 H +ATOM 3495 HE3 LYS A 253 156.505 173.905 227.202 1.00 48.25 H +ATOM 3496 HZ1 LYS A 253 154.805 175.399 227.450 1.00 77.59 H +ATOM 3497 HZ2 LYS A 253 155.525 175.722 226.234 1.00 77.59 H +ATOM 3498 HZ3 LYS A 253 154.244 175.048 226.161 1.00 77.59 H +ATOM 3499 N TYR A 254 159.616 170.390 222.569 1.00 37.84 N +ATOM 3500 CA TYR A 254 159.839 169.335 221.588 1.00 41.20 C +ATOM 3501 C TYR A 254 159.478 167.956 222.131 1.00 42.97 C +ATOM 3502 O TYR A 254 159.245 167.788 223.326 1.00 34.67 O +ATOM 3503 CB TYR A 254 161.300 169.338 221.130 1.00 34.78 C +ATOM 3504 CG TYR A 254 162.289 169.080 222.244 1.00 32.97 C +ATOM 3505 CD1 TYR A 254 162.780 170.122 223.013 1.00 35.79 C +ATOM 3506 CD2 TYR A 254 162.729 167.795 222.526 1.00 39.86 C +ATOM 3507 CE1 TYR A 254 163.682 169.896 224.032 1.00 49.88 C +ATOM 3508 CE2 TYR A 254 163.632 167.557 223.545 1.00 38.35 C +ATOM 3509 CZ TYR A 254 164.104 168.612 224.295 1.00 44.40 C +ATOM 3510 OH TYR A 254 165.004 168.385 225.311 1.00 49.89 O +ATOM 3511 H TYR A 254 159.529 170.108 223.377 1.00 45.40 H +ATOM 3512 HA TYR A 254 159.283 169.505 220.812 1.00 49.44 H +ATOM 3513 HB2 TYR A 254 161.419 168.645 220.461 1.00 41.74 H +ATOM 3514 HB3 TYR A 254 161.505 170.204 220.745 1.00 41.74 H +ATOM 3515 HD1 TYR A 254 162.497 170.991 222.839 1.00 42.95 H +ATOM 3516 HD2 TYR A 254 162.411 167.082 222.021 1.00 47.84 H +ATOM 3517 HE1 TYR A 254 164.002 170.606 224.539 1.00 59.85 H +ATOM 3518 HE2 TYR A 254 163.919 166.691 223.724 1.00 46.02 H +ATOM 3519 HH TYR A 254 165.176 167.565 225.364 1.00 59.86 H +ATOM 3520 N GLN A 255 159.432 166.979 221.230 1.00 43.45 N +ATOM 3521 CA GLN A 255 159.242 165.579 221.590 1.00 44.28 C +ATOM 3522 C GLN A 255 160.474 164.775 221.220 1.00 43.58 C +ATOM 3523 O GLN A 255 161.169 165.117 220.268 1.00 40.20 O +ATOM 3524 CB GLN A 255 158.038 164.975 220.869 1.00 46.30 C +ATOM 3525 CG GLN A 255 156.696 165.539 221.243 1.00 50.12 C +ATOM 3526 CD GLN A 255 155.579 164.884 220.455 1.00 48.24 C +ATOM 3527 OE1 GLN A 255 155.011 163.881 220.881 1.00 62.17 O +ATOM 3528 NE2 GLN A 255 155.271 165.442 219.291 1.00 40.01 N +ATOM 3529 H GLN A 255 159.509 167.107 220.383 1.00 52.15 H +ATOM 3530 HA GLN A 255 159.099 165.505 222.547 1.00 53.14 H +ATOM 3531 HB2 GLN A 255 158.153 165.111 219.916 1.00 55.57 H +ATOM 3532 HB3 GLN A 255 158.014 164.024 221.058 1.00 55.57 H +ATOM 3533 HG2 GLN A 255 156.535 165.382 222.187 1.00 60.14 H +ATOM 3534 HG3 GLN A 255 156.685 166.490 221.054 1.00 60.14 H +ATOM 3535 HE21 GLN A 255 155.698 166.138 219.021 1.00 48.01 H +ATOM 3536 HE22 GLN A 255 154.644 165.107 218.806 1.00 48.01 H +ATOM 3537 N ILE A 256 160.734 163.703 221.962 1.00 45.12 N +ATOM 3538 CA ILE A 256 161.675 162.682 221.520 1.00 38.88 C +ATOM 3539 C ILE A 256 160.889 161.446 221.104 1.00 50.99 C +ATOM 3540 O ILE A 256 160.298 160.763 221.939 1.00 59.92 O +ATOM 3541 CB ILE A 256 162.696 162.303 222.604 1.00 39.70 C +ATOM 3542 CG1 ILE A 256 163.427 163.547 223.115 1.00 33.52 C +ATOM 3543 CG2 ILE A 256 163.695 161.285 222.057 1.00 36.20 C +ATOM 3544 CD1 ILE A 256 164.180 164.315 222.045 1.00 42.55 C +ATOM 3545 H ILE A 256 160.376 163.544 222.728 1.00 54.14 H +ATOM 3546 HA ILE A 256 162.161 163.008 220.747 1.00 46.66 H +ATOM 3547 HB ILE A 256 162.220 161.899 223.347 1.00 47.64 H +ATOM 3548 HG12 ILE A 256 162.777 164.150 223.508 1.00 40.22 H +ATOM 3549 HG13 ILE A 256 164.070 163.274 223.789 1.00 40.22 H +ATOM 3550 HG21 ILE A 256 164.330 161.059 222.755 1.00 43.43 H +ATOM 3551 HG22 ILE A 256 163.215 160.490 221.776 1.00 43.43 H +ATOM 3552 HG23 ILE A 256 164.160 161.675 221.300 1.00 43.43 H +ATOM 3553 HD11 ILE A 256 164.611 165.083 222.453 1.00 51.06 H +ATOM 3554 HD12 ILE A 256 164.846 163.733 221.648 1.00 51.06 H +ATOM 3555 HD13 ILE A 256 163.552 164.610 221.367 1.00 51.06 H +ATOM 3556 N ILE A 257 160.875 161.183 219.802 1.00 37.93 N +ATOM 3557 CA ILE A 257 160.216 160.013 219.239 1.00 42.10 C +ATOM 3558 C ILE A 257 161.240 159.215 218.450 1.00 46.98 C +ATOM 3559 O ILE A 257 161.921 159.760 217.584 1.00 42.09 O +ATOM 3560 CB ILE A 257 159.037 160.390 218.317 1.00 37.30 C +ATOM 3561 CG1 ILE A 257 158.120 161.411 219.003 1.00 36.12 C +ATOM 3562 CG2 ILE A 257 158.261 159.137 217.923 1.00 38.29 C +ATOM 3563 CD1 ILE A 257 156.980 161.911 218.134 1.00 34.93 C +ATOM 3564 H ILE A 257 161.251 161.681 219.210 1.00 45.51 H +ATOM 3565 HA ILE A 257 159.878 159.456 219.958 1.00 50.52 H +ATOM 3566 HB ILE A 257 159.396 160.794 217.511 1.00 44.75 H +ATOM 3567 HG12 ILE A 257 157.731 160.999 219.790 1.00 43.34 H +ATOM 3568 HG13 ILE A 257 158.651 162.179 219.264 1.00 43.34 H +ATOM 3569 HG21 ILE A 257 157.525 159.390 217.345 1.00 45.95 H +ATOM 3570 HG22 ILE A 257 158.857 158.531 217.455 1.00 45.95 H +ATOM 3571 HG23 ILE A 257 157.921 158.712 218.726 1.00 45.95 H +ATOM 3572 HD11 ILE A 257 156.453 162.548 218.641 1.00 41.91 H +ATOM 3573 HD12 ILE A 257 157.349 162.339 217.345 1.00 41.91 H +ATOM 3574 HD13 ILE A 257 156.428 161.157 217.873 1.00 41.91 H +ATOM 3575 N ASP A 258 161.350 157.926 218.762 1.00 45.08 N +ATOM 3576 CA ASP A 258 162.332 157.056 218.121 1.00 37.21 C +ATOM 3577 C ASP A 258 163.748 157.597 218.306 1.00 39.50 C +ATOM 3578 O ASP A 258 164.610 157.408 217.450 1.00 41.23 O +ATOM 3579 CB ASP A 258 162.024 156.900 216.630 1.00 41.87 C +ATOM 3580 CG ASP A 258 160.611 156.420 216.373 1.00 43.46 C +ATOM 3581 OD1 ASP A 258 160.118 155.579 217.149 1.00 51.67 O +ATOM 3582 OD2 ASP A 258 159.992 156.888 215.394 1.00 52.27 O +ATOM 3583 H ASP A 258 160.862 157.527 219.347 1.00 54.09 H +ATOM 3584 HA ASP A 258 162.290 156.178 218.530 1.00 44.66 H +ATOM 3585 HB2 ASP A 258 162.134 157.758 216.192 1.00 50.25 H +ATOM 3586 HB3 ASP A 258 162.635 156.251 216.247 1.00 50.25 H +ATOM 3587 N GLY A 259 163.974 158.280 219.424 1.00 39.21 N +ATOM 3588 CA GLY A 259 165.290 158.797 219.758 1.00 38.41 C +ATOM 3589 C GLY A 259 165.662 160.078 219.028 1.00 47.90 C +ATOM 3590 O GLY A 259 166.829 160.471 219.024 1.00 41.29 O +ATOM 3591 H GLY A 259 163.372 158.458 220.012 1.00 47.06 H +ATOM 3592 HA2 GLY A 259 165.329 158.972 220.711 1.00 46.09 H +ATOM 3593 HA3 GLY A 259 165.957 158.126 219.546 1.00 46.09 H +ATOM 3594 N GLU A 260 164.678 160.730 218.416 1.00 42.91 N +ATOM 3595 CA GLU A 260 164.924 161.947 217.644 1.00 40.69 C +ATOM 3596 C GLU A 260 163.976 163.080 218.024 1.00 36.40 C +ATOM 3597 O GLU A 260 162.847 162.843 218.439 1.00 39.30 O +ATOM 3598 CB GLU A 260 164.799 161.655 216.152 1.00 46.48 C +ATOM 3599 CG GLU A 260 165.853 160.702 215.631 1.00 47.30 C +ATOM 3600 CD GLU A 260 166.392 161.125 214.286 1.00 64.55 C +ATOM 3601 OE1 GLU A 260 165.758 160.797 213.261 1.00 71.85 O +ATOM 3602 OE2 GLU A 260 167.446 161.795 214.254 1.00 68.33 O +ATOM 3603 H GLU A 260 163.853 160.487 218.432 1.00 51.49 H +ATOM 3604 HA GLU A 260 165.830 162.248 217.814 1.00 48.83 H +ATOM 3605 HB2 GLU A 260 163.930 161.260 215.982 1.00 55.78 H +ATOM 3606 HB3 GLU A 260 164.884 162.488 215.662 1.00 55.78 H +ATOM 3607 HG2 GLU A 260 166.594 160.674 216.257 1.00 56.77 H +ATOM 3608 HG3 GLU A 260 165.464 159.819 215.536 1.00 56.77 H +ATOM 3609 N MET A 261 164.447 164.312 217.862 1.00 40.15 N +ATOM 3610 CA MET A 261 163.682 165.489 218.258 1.00 35.69 C +ATOM 3611 C MET A 261 162.631 165.867 217.219 1.00 28.90 C +ATOM 3612 O MET A 261 162.937 166.016 216.039 1.00 35.33 O +ATOM 3613 CB MET A 261 164.618 166.676 218.497 1.00 29.30 C +ATOM 3614 CG MET A 261 163.900 167.965 218.876 1.00 33.09 C +ATOM 3615 SD MET A 261 165.027 169.341 219.171 1.00 41.53 S +ATOM 3616 CE MET A 261 165.928 168.753 220.601 1.00 39.82 C +ATOM 3617 H MET A 261 165.216 164.495 217.522 1.00 48.17 H +ATOM 3618 HA MET A 261 163.233 165.298 219.095 1.00 42.83 H +ATOM 3619 HB2 MET A 261 165.226 166.453 219.219 1.00 35.16 H +ATOM 3620 HB3 MET A 261 165.121 166.845 217.685 1.00 35.16 H +ATOM 3621 HG2 MET A 261 163.303 168.217 218.154 1.00 39.71 H +ATOM 3622 HG3 MET A 261 163.392 167.816 219.689 1.00 39.71 H +ATOM 3623 HE1 MET A 261 166.580 169.423 220.861 1.00 47.78 H +ATOM 3624 HE2 MET A 261 165.303 168.600 221.327 1.00 47.78 H +ATOM 3625 HE3 MET A 261 166.378 167.925 220.371 1.00 47.78 H +ATOM 3626 N TYR A 262 161.393 166.019 217.674 1.00 36.93 N +ATOM 3627 CA TYR A 262 160.296 166.463 216.824 1.00 32.43 C +ATOM 3628 C TYR A 262 159.572 167.629 217.480 1.00 37.60 C +ATOM 3629 O TYR A 262 159.756 167.882 218.669 1.00 37.77 O +ATOM 3630 CB TYR A 262 159.322 165.317 216.558 1.00 29.35 C +ATOM 3631 CG TYR A 262 159.849 164.294 215.582 1.00 40.86 C +ATOM 3632 CD1 TYR A 262 160.423 163.111 216.026 1.00 38.18 C +ATOM 3633 CD2 TYR A 262 159.777 164.516 214.214 1.00 40.62 C +ATOM 3634 CE1 TYR A 262 160.905 162.179 215.137 1.00 36.14 C +ATOM 3635 CE2 TYR A 262 160.258 163.586 213.318 1.00 43.21 C +ATOM 3636 CZ TYR A 262 160.820 162.419 213.785 1.00 39.53 C +ATOM 3637 OH TYR A 262 161.300 161.489 212.894 1.00 41.76 O +ATOM 3638 H TYR A 262 161.159 165.869 218.488 1.00 44.32 H +ATOM 3639 HA TYR A 262 160.652 166.765 215.973 1.00 38.91 H +ATOM 3640 HB2 TYR A 262 159.137 164.862 217.394 1.00 35.22 H +ATOM 3641 HB3 TYR A 262 158.501 165.682 216.192 1.00 35.22 H +ATOM 3642 HD1 TYR A 262 160.481 162.945 216.939 1.00 45.82 H +ATOM 3643 HD2 TYR A 262 159.397 165.303 213.897 1.00 48.74 H +ATOM 3644 HE1 TYR A 262 161.285 161.389 215.448 1.00 43.37 H +ATOM 3645 HE2 TYR A 262 160.203 163.745 212.403 1.00 51.86 H +ATOM 3646 HH TYR A 262 161.186 161.760 212.107 1.00 50.11 H +ATOM 3647 N PRO A 263 158.745 168.346 216.708 1.00 40.61 N +ATOM 3648 CA PRO A 263 157.973 169.434 217.313 1.00 41.57 C +ATOM 3649 C PRO A 263 156.987 168.900 218.342 1.00 41.97 C +ATOM 3650 O PRO A 263 156.600 167.736 218.265 1.00 45.56 O +ATOM 3651 CB PRO A 263 157.242 170.062 216.120 1.00 42.62 C +ATOM 3652 CG PRO A 263 157.979 169.597 214.912 1.00 44.39 C +ATOM 3653 CD PRO A 263 158.512 168.248 215.258 1.00 43.92 C +ATOM 3654 HA PRO A 263 158.560 170.088 217.723 1.00 49.88 H +ATOM 3655 HB2 PRO A 263 156.323 169.752 216.101 1.00 51.14 H +ATOM 3656 HB3 PRO A 263 157.276 171.029 216.190 1.00 51.14 H +ATOM 3657 HG2 PRO A 263 157.368 169.540 214.160 1.00 53.26 H +ATOM 3658 HG3 PRO A 263 158.704 170.211 214.716 1.00 53.26 H +ATOM 3659 HD2 PRO A 263 157.853 167.563 215.066 1.00 52.70 H +ATOM 3660 HD3 PRO A 263 159.346 168.083 214.791 1.00 52.70 H +ATOM 3661 N PRO A 264 156.580 169.745 219.295 1.00 41.53 N +ATOM 3662 CA PRO A 264 155.630 169.306 220.317 1.00 45.47 C +ATOM 3663 C PRO A 264 154.237 169.125 219.732 1.00 42.79 C +ATOM 3664 O PRO A 264 154.007 169.472 218.574 1.00 37.52 O +ATOM 3665 CB PRO A 264 155.666 170.444 221.333 1.00 49.49 C +ATOM 3666 CG PRO A 264 155.972 171.650 220.504 1.00 53.29 C +ATOM 3667 CD PRO A 264 156.889 171.180 219.408 1.00 44.65 C +ATOM 3668 HA PRO A 264 155.926 168.481 220.733 1.00 54.57 H +ATOM 3669 HB2 PRO A 264 154.802 170.530 221.765 1.00 59.39 H +ATOM 3670 HB3 PRO A 264 156.367 170.284 221.985 1.00 59.39 H +ATOM 3671 HG2 PRO A 264 155.150 172.004 220.132 1.00 63.95 H +ATOM 3672 HG3 PRO A 264 156.413 172.317 221.054 1.00 63.95 H +ATOM 3673 HD2 PRO A 264 156.685 171.637 218.577 1.00 53.58 H +ATOM 3674 HD3 PRO A 264 157.816 171.307 219.665 1.00 53.58 H +ATOM 3675 N THR A 265 153.319 168.594 220.528 1.00 50.55 N +ATOM 3676 CA THR A 265 151.952 168.379 220.078 1.00 47.07 C +ATOM 3677 C THR A 265 151.084 169.595 220.358 1.00 39.35 C +ATOM 3678 O THR A 265 151.437 170.452 221.166 1.00 29.47 O +ATOM 3679 CB THR A 265 151.318 167.159 220.767 1.00 45.84 C +ATOM 3680 OG1 THR A 265 151.282 167.379 222.183 1.00 44.17 O +ATOM 3681 CG2 THR A 265 152.115 165.900 220.468 1.00 43.48 C +ATOM 3682 H THR A 265 153.464 168.348 221.339 1.00 60.66 H +ATOM 3683 HA THR A 265 151.953 168.220 219.121 1.00 56.49 H +ATOM 3684 HB THR A 265 150.415 167.036 220.437 1.00 55.01 H +ATOM 3685 HG1 THR A 265 150.937 166.716 222.567 1.00 53.00 H +ATOM 3686 HG21 THR A 265 151.706 165.137 220.907 1.00 52.18 H +ATOM 3687 HG22 THR A 265 152.134 165.739 219.512 1.00 52.18 H +ATOM 3688 HG23 THR A 265 153.024 165.999 220.790 1.00 52.18 H +ATOM 3689 N VAL A 266 149.945 169.660 219.679 1.00 37.63 N +ATOM 3690 CA VAL A 266 148.931 170.662 219.965 1.00 40.19 C +ATOM 3691 C VAL A 266 148.416 170.496 221.393 1.00 41.53 C +ATOM 3692 O VAL A 266 148.128 171.478 222.073 1.00 44.10 O +ATOM 3693 CB VAL A 266 147.758 170.565 218.961 1.00 42.11 C +ATOM 3694 CG1 VAL A 266 146.511 171.298 219.473 1.00 35.98 C +ATOM 3695 CG2 VAL A 266 148.186 171.112 217.608 1.00 42.44 C +ATOM 3696 H VAL A 266 149.735 169.127 219.038 1.00 45.16 H +ATOM 3697 HA VAL A 266 149.325 171.545 219.886 1.00 48.23 H +ATOM 3698 HB VAL A 266 147.525 169.631 218.842 1.00 50.54 H +ATOM 3699 HG11 VAL A 266 145.803 171.213 218.816 1.00 43.18 H +ATOM 3700 HG12 VAL A 266 146.234 170.899 220.313 1.00 43.18 H +ATOM 3701 HG13 VAL A 266 146.728 172.234 219.607 1.00 43.18 H +ATOM 3702 HG21 VAL A 266 147.441 171.044 216.991 1.00 50.92 H +ATOM 3703 HG22 VAL A 266 148.447 172.040 217.711 1.00 50.92 H +ATOM 3704 HG23 VAL A 266 148.936 170.591 217.280 1.00 50.92 H +ATOM 3705 N LYS A 267 148.303 169.251 221.843 1.00 50.55 N +ATOM 3706 CA LYS A 267 147.799 168.970 223.183 1.00 58.38 C +ATOM 3707 C LYS A 267 148.721 169.541 224.258 1.00 59.54 C +ATOM 3708 O LYS A 267 148.259 170.091 225.256 1.00 64.09 O +ATOM 3709 CB LYS A 267 147.631 167.463 223.393 1.00 67.23 C +ATOM 3710 CG LYS A 267 147.087 167.091 224.768 1.00 84.19 C +ATOM 3711 CD LYS A 267 146.935 165.590 224.932 1.00100.21 C +ATOM 3712 CE LYS A 267 146.267 165.244 226.254 1.00111.03 C +ATOM 3713 NZ LYS A 267 146.062 163.779 226.412 1.00119.37 N +ATOM 3714 H LYS A 267 148.512 168.549 221.392 1.00 60.66 H +ATOM 3715 HA LYS A 267 146.928 169.385 223.285 1.00 70.05 H +ATOM 3716 HB2 LYS A 267 147.014 167.121 222.728 1.00 80.68 H +ATOM 3717 HB3 LYS A 267 148.496 167.035 223.290 1.00 80.68 H +ATOM 3718 HG2 LYS A 267 147.700 167.409 225.449 1.00101.03 H +ATOM 3719 HG3 LYS A 267 146.215 167.499 224.886 1.00101.03 H +ATOM 3720 HD2 LYS A 267 146.384 165.243 224.212 1.00120.25 H +ATOM 3721 HD3 LYS A 267 147.811 165.174 224.915 1.00120.25 H +ATOM 3722 HE2 LYS A 267 146.827 165.551 226.984 1.00133.24 H +ATOM 3723 HE3 LYS A 267 145.399 165.676 226.295 1.00133.24 H +ATOM 3724 HZ1 LYS A 267 145.671 163.609 227.193 1.00143.25 H +ATOM 3725 HZ2 LYS A 267 145.545 163.472 225.756 1.00143.25 H +ATOM 3726 HZ3 LYS A 267 146.846 163.358 226.383 1.00143.25 H +ATOM 3727 N ASP A 268 150.025 169.412 224.046 1.00 56.87 N +ATOM 3728 CA ASP A 268 151.002 169.817 225.050 1.00 56.25 C +ATOM 3729 C ASP A 268 151.256 171.326 225.054 1.00 62.52 C +ATOM 3730 O ASP A 268 151.642 171.889 226.079 1.00 55.47 O +ATOM 3731 CB ASP A 268 152.319 169.072 224.824 1.00 75.86 C +ATOM 3732 CG ASP A 268 153.313 169.299 225.943 1.00 93.55 C +ATOM 3733 OD1 ASP A 268 153.178 168.645 226.999 1.00113.23 O +ATOM 3734 OD2 ASP A 268 154.231 170.127 225.767 1.00 94.78 O +ATOM 3735 H ASP A 268 150.372 169.093 223.327 1.00 68.25 H +ATOM 3736 HA ASP A 268 150.669 169.570 225.927 1.00 67.50 H +ATOM 3737 HB2 ASP A 268 152.139 168.120 224.770 1.00 91.03 H +ATOM 3738 HB3 ASP A 268 152.720 169.382 223.997 1.00 91.03 H +ATOM 3739 N THR A 269 151.033 171.977 223.915 1.00 53.47 N +ATOM 3740 CA THR A 269 151.344 173.399 223.767 1.00 50.36 C +ATOM 3741 C THR A 269 150.116 174.299 223.837 1.00 44.55 C +ATOM 3742 O THR A 269 150.222 175.459 224.227 1.00 42.73 O +ATOM 3743 CB THR A 269 152.046 173.680 222.430 1.00 41.68 C +ATOM 3744 OG1 THR A 269 151.173 173.335 221.346 1.00 34.65 O +ATOM 3745 CG2 THR A 269 153.338 172.884 222.325 1.00 52.12 C +ATOM 3746 H THR A 269 150.700 171.617 223.209 1.00 64.16 H +ATOM 3747 HA THR A 269 151.946 173.662 224.481 1.00 60.43 H +ATOM 3748 HB THR A 269 152.266 174.623 222.376 1.00 50.02 H +ATOM 3749 HG1 THR A 269 150.973 172.520 221.386 1.00 41.58 H +ATOM 3750 HG21 THR A 269 153.773 173.068 221.478 1.00 62.54 H +ATOM 3751 HG22 THR A 269 153.937 173.128 223.047 1.00 62.54 H +ATOM 3752 HG23 THR A 269 153.147 171.934 222.381 1.00 62.54 H +ATOM 3753 N GLN A 270 148.962 173.760 223.450 1.00 46.63 N +ATOM 3754 CA GLN A 270 147.724 174.531 223.306 1.00 60.01 C +ATOM 3755 C GLN A 270 147.826 175.529 222.153 1.00 52.67 C +ATOM 3756 O GLN A 270 147.035 176.466 222.066 1.00 51.46 O +ATOM 3757 CB GLN A 270 147.361 175.263 224.606 1.00 59.32 C +ATOM 3758 CG GLN A 270 147.124 174.340 225.782 1.00 64.73 C +ATOM 3759 CD GLN A 270 145.896 173.477 225.592 1.00 71.63 C +ATOM 3760 OE1 GLN A 270 145.997 172.292 225.267 1.00 69.43 O +ATOM 3761 NE2 GLN A 270 144.725 174.068 225.788 1.00 78.38 N +ATOM 3762 H GLN A 270 148.867 172.926 223.261 1.00 55.96 H +ATOM 3763 HA GLN A 270 147.000 173.919 223.101 1.00 72.01 H +ATOM 3764 HB2 GLN A 270 148.088 175.861 224.840 1.00 71.19 H +ATOM 3765 HB3 GLN A 270 146.549 175.773 224.461 1.00 71.19 H +ATOM 3766 HG2 GLN A 270 147.891 173.755 225.887 1.00 77.68 H +ATOM 3767 HG3 GLN A 270 146.998 174.872 226.583 1.00 77.68 H +ATOM 3768 HE21 GLN A 270 144.694 174.898 226.010 1.00 94.05 H +ATOM 3769 HE22 GLN A 270 143.996 173.621 225.692 1.00 94.05 H +ATOM 3770 N ALA A 271 148.796 175.315 221.268 1.00 51.02 N +ATOM 3771 CA ALA A 271 148.944 176.136 220.073 1.00 49.19 C +ATOM 3772 C ALA A 271 148.111 175.558 218.935 1.00 42.69 C +ATOM 3773 O ALA A 271 148.329 174.423 218.515 1.00 47.16 O +ATOM 3774 CB ALA A 271 150.405 176.228 219.669 1.00 41.80 C +ATOM 3775 H ALA A 271 149.386 174.694 221.339 1.00 61.22 H +ATOM 3776 HA ALA A 271 148.623 177.032 220.259 1.00 59.02 H +ATOM 3777 HB1 ALA A 271 150.478 176.778 218.873 1.00 50.15 H +ATOM 3778 HB2 ALA A 271 150.908 176.628 220.395 1.00 50.15 H +ATOM 3779 HB3 ALA A 271 150.739 175.336 219.487 1.00 50.15 H +ATOM 3780 N GLU A 272 147.156 176.341 218.444 1.00 53.35 N +ATOM 3781 CA GLU A 272 146.262 175.894 217.380 1.00 46.63 C +ATOM 3782 C GLU A 272 147.010 175.537 216.102 1.00 48.95 C +ATOM 3783 O GLU A 272 147.928 176.244 215.688 1.00 45.65 O +ATOM 3784 CB GLU A 272 145.222 176.973 217.067 1.00 71.60 C +ATOM 3785 CG GLU A 272 144.004 176.961 217.974 1.00 94.98 C +ATOM 3786 CD GLU A 272 142.935 177.937 217.522 1.00112.95 C +ATOM 3787 OE1 GLU A 272 143.179 178.681 216.549 1.00115.76 O +ATOM 3788 OE2 GLU A 272 141.850 177.957 218.138 1.00120.78 O +ATOM 3789 H GLU A 272 147.004 177.144 218.712 1.00 64.02 H +ATOM 3790 HA GLU A 272 145.789 175.102 217.680 1.00 55.96 H +ATOM 3791 HB2 GLU A 272 145.643 177.843 217.153 1.00 85.92 H +ATOM 3792 HB3 GLU A 272 144.912 176.849 216.157 1.00 85.92 H +ATOM 3793 HG2 GLU A 272 143.618 176.071 217.974 1.00113.97 H +ATOM 3794 HG3 GLU A 272 144.275 177.206 218.872 1.00113.97 H +ATOM 3795 N MET A 273 146.602 174.431 215.487 1.00 42.52 N +ATOM 3796 CA MET A 273 147.074 174.043 214.166 1.00 39.89 C +ATOM 3797 C MET A 273 145.874 173.730 213.285 1.00 40.06 C +ATOM 3798 O MET A 273 144.772 173.523 213.786 1.00 48.71 O +ATOM 3799 CB MET A 273 147.995 172.825 214.242 1.00 36.76 C +ATOM 3800 CG MET A 273 149.313 173.071 214.956 1.00 46.54 C +ATOM 3801 SD MET A 273 150.425 174.165 214.052 1.00 31.53 S +ATOM 3802 CE MET A 273 150.838 173.176 212.618 1.00 37.21 C +ATOM 3803 H MET A 273 146.039 173.876 215.826 1.00 51.02 H +ATOM 3804 HA MET A 273 147.573 174.777 213.777 1.00 47.87 H +ATOM 3805 HB2 MET A 273 147.533 172.116 214.717 1.00 44.11 H +ATOM 3806 HB3 MET A 273 148.200 172.534 213.340 1.00 44.11 H +ATOM 3807 HG2 MET A 273 149.132 173.477 215.818 1.00 55.85 H +ATOM 3808 HG3 MET A 273 149.766 172.223 215.080 1.00 55.85 H +ATOM 3809 HE1 MET A 273 151.444 173.678 212.052 1.00 44.66 H +ATOM 3810 HE2 MET A 273 151.263 172.355 212.913 1.00 44.66 H +ATOM 3811 HE3 MET A 273 150.024 172.970 212.132 1.00 44.66 H +ATOM 3812 N ILE A 274 146.089 173.700 211.975 1.00 42.89 N +ATOM 3813 CA ILE A 274 145.062 173.254 211.045 1.00 37.15 C +ATOM 3814 C ILE A 274 145.257 171.779 210.736 1.00 46.49 C +ATOM 3815 O ILE A 274 146.179 171.400 210.014 1.00 44.76 O +ATOM 3816 CB ILE A 274 145.081 174.053 209.732 1.00 34.52 C +ATOM 3817 CG1 ILE A 274 144.899 175.548 210.012 1.00 40.56 C +ATOM 3818 CG2 ILE A 274 143.995 173.550 208.781 1.00 46.96 C +ATOM 3819 CD1 ILE A 274 143.652 175.890 210.809 1.00 70.90 C +ATOM 3820 H ILE A 274 146.826 173.934 211.598 1.00 51.47 H +ATOM 3821 HA ILE A 274 144.190 173.366 211.455 1.00 44.58 H +ATOM 3822 HB ILE A 274 145.944 173.924 209.307 1.00 41.42 H +ATOM 3823 HG12 ILE A 274 145.665 175.865 210.514 1.00 48.67 H +ATOM 3824 HG13 ILE A 274 144.845 176.018 209.165 1.00 48.67 H +ATOM 3825 HG21 ILE A 274 144.028 174.068 207.962 1.00 56.35 H +ATOM 3826 HG22 ILE A 274 144.156 172.613 208.587 1.00 56.35 H +ATOM 3827 HG23 ILE A 274 143.130 173.656 209.206 1.00 56.35 H +ATOM 3828 HD11 ILE A 274 143.615 176.850 210.940 1.00 85.08 H +ATOM 3829 HD12 ILE A 274 142.871 175.592 210.315 1.00 85.08 H +ATOM 3830 HD13 ILE A 274 143.693 175.440 211.667 1.00 85.08 H +ATOM 3831 N TYR A 275 144.378 170.959 211.299 1.00 52.16 N +ATOM 3832 CA TYR A 275 144.367 169.527 211.038 1.00 55.74 C +ATOM 3833 C TYR A 275 142.941 169.059 210.783 1.00 58.86 C +ATOM 3834 O TYR A 275 142.029 169.439 211.509 1.00 72.73 O +ATOM 3835 CB TYR A 275 144.963 168.755 212.215 1.00 58.12 C +ATOM 3836 CG TYR A 275 146.470 168.803 212.285 1.00 47.86 C +ATOM 3837 CD1 TYR A 275 147.247 168.131 211.352 1.00 51.73 C +ATOM 3838 CD2 TYR A 275 147.115 169.507 213.291 1.00 42.93 C +ATOM 3839 CE1 TYR A 275 148.621 168.166 211.413 1.00 50.02 C +ATOM 3840 CE2 TYR A 275 148.493 169.548 213.359 1.00 47.04 C +ATOM 3841 CZ TYR A 275 149.240 168.875 212.418 1.00 43.74 C +ATOM 3842 OH TYR A 275 150.612 168.911 212.477 1.00 38.27 O +ATOM 3843 H TYR A 275 143.765 171.214 211.847 1.00 62.59 H +ATOM 3844 HA TYR A 275 144.898 169.339 210.248 1.00 66.88 H +ATOM 3845 HB2 TYR A 275 144.617 169.129 213.040 1.00 69.74 H +ATOM 3846 HB3 TYR A 275 144.700 167.824 212.142 1.00 69.74 H +ATOM 3847 HD1 TYR A 275 146.832 167.651 210.672 1.00 62.07 H +ATOM 3848 HD2 TYR A 275 146.612 169.962 213.927 1.00 51.51 H +ATOM 3849 HE1 TYR A 275 149.128 167.713 210.779 1.00 60.02 H +ATOM 3850 HE2 TYR A 275 148.914 170.026 214.036 1.00 56.45 H +ATOM 3851 HH TYR A 275 150.859 169.374 213.133 1.00 45.93 H +ATOM 3852 N PRO A 276 142.736 168.239 209.742 1.00 68.11 N +ATOM 3853 CA PRO A 276 141.390 167.684 209.585 1.00 68.03 C +ATOM 3854 C PRO A 276 141.078 166.704 210.715 1.00 69.38 C +ATOM 3855 O PRO A 276 142.008 166.185 211.328 1.00 69.72 O +ATOM 3856 CB PRO A 276 141.449 166.988 208.224 1.00 73.10 C +ATOM 3857 CG PRO A 276 142.887 166.706 207.997 1.00 75.91 C +ATOM 3858 CD PRO A 276 143.634 167.825 208.650 1.00 68.57 C +ATOM 3859 HA PRO A 276 140.725 168.390 209.567 1.00 81.63 H +ATOM 3860 HB2 PRO A 276 140.938 166.163 208.256 1.00 87.72 H +ATOM 3861 HB3 PRO A 276 141.103 167.580 207.538 1.00 87.72 H +ATOM 3862 HG2 PRO A 276 143.119 165.857 208.405 1.00 91.09 H +ATOM 3863 HG3 PRO A 276 143.067 166.686 207.044 1.00 91.09 H +ATOM 3864 HD2 PRO A 276 144.477 167.506 209.008 1.00 82.28 H +ATOM 3865 HD3 PRO A 276 143.765 168.555 208.025 1.00 82.28 H +ATOM 3866 N PRO A 277 139.787 166.451 210.985 1.00 73.37 N +ATOM 3867 CA PRO A 277 139.353 165.667 212.150 1.00 66.17 C +ATOM 3868 C PRO A 277 139.998 164.283 212.281 1.00 71.01 C +ATOM 3869 O PRO A 277 140.053 163.743 213.387 1.00 60.34 O +ATOM 3870 CB PRO A 277 137.843 165.524 211.925 1.00 64.51 C +ATOM 3871 CG PRO A 277 137.473 166.666 211.059 1.00 62.25 C +ATOM 3872 CD PRO A 277 138.645 166.907 210.173 1.00 65.19 C +ATOM 3873 HA PRO A 277 139.507 166.168 212.966 1.00 79.40 H +ATOM 3874 HB2 PRO A 277 137.656 164.682 211.481 1.00 77.41 H +ATOM 3875 HB3 PRO A 277 137.380 165.574 212.776 1.00 77.41 H +ATOM 3876 HG2 PRO A 277 136.691 166.434 210.533 1.00 74.70 H +ATOM 3877 HG3 PRO A 277 137.295 167.445 211.608 1.00 74.70 H +ATOM 3878 HD2 PRO A 277 138.572 166.377 209.364 1.00 78.23 H +ATOM 3879 HD3 PRO A 277 138.728 167.853 209.973 1.00 78.23 H +ATOM 3880 N GLN A 278 140.481 163.721 211.179 1.00 65.47 N +ATOM 3881 CA GLN A 278 140.983 162.350 211.183 1.00 66.65 C +ATOM 3882 C GLN A 278 142.324 162.233 211.897 1.00 70.17 C +ATOM 3883 O GLN A 278 142.627 161.200 212.497 1.00 73.50 O +ATOM 3884 CB GLN A 278 141.123 161.821 209.754 1.00 67.20 C +ATOM 3885 CG GLN A 278 139.902 162.048 208.876 1.00 71.19 C +ATOM 3886 CD GLN A 278 139.937 163.382 208.155 1.00 70.51 C +ATOM 3887 OE1 GLN A 278 140.957 163.763 207.580 1.00 69.80 O +ATOM 3888 NE2 GLN A 278 138.820 164.100 208.184 1.00 72.39 N +ATOM 3889 H GLN A 278 140.529 164.111 210.414 1.00 78.57 H +ATOM 3890 HA GLN A 278 140.347 161.784 211.649 1.00 79.99 H +ATOM 3891 HB2 GLN A 278 141.876 162.263 209.332 1.00 80.64 H +ATOM 3892 HB3 GLN A 278 141.285 160.865 209.792 1.00 80.64 H +ATOM 3893 HG2 GLN A 278 139.859 161.347 208.207 1.00 85.43 H +ATOM 3894 HG3 GLN A 278 139.106 162.028 209.430 1.00 85.43 H +ATOM 3895 HE21 GLN A 278 138.128 163.801 208.597 1.00 86.87 H +ATOM 3896 HE22 GLN A 278 138.790 164.863 207.790 1.00 86.87 H +ATOM 3897 N VAL A 279 143.126 163.291 211.822 1.00 74.79 N +ATOM 3898 CA VAL A 279 144.473 163.276 212.388 1.00 68.61 C +ATOM 3899 C VAL A 279 144.409 163.054 213.902 1.00 63.89 C +ATOM 3900 O VAL A 279 143.812 163.856 214.619 1.00 62.93 O +ATOM 3901 CB VAL A 279 145.225 164.590 212.092 1.00 68.87 C +ATOM 3902 CG1 VAL A 279 146.666 164.509 212.584 1.00 65.34 C +ATOM 3903 CG2 VAL A 279 145.200 164.895 210.599 1.00 60.26 C +ATOM 3904 H VAL A 279 142.912 164.035 211.447 1.00 89.75 H +ATOM 3905 HA VAL A 279 144.975 162.545 211.995 1.00 82.33 H +ATOM 3906 HB VAL A 279 144.787 165.320 212.557 1.00 82.64 H +ATOM 3907 HG11 VAL A 279 147.115 165.346 212.386 1.00 78.41 H +ATOM 3908 HG12 VAL A 279 146.664 164.353 213.541 1.00 78.41 H +ATOM 3909 HG13 VAL A 279 147.114 163.778 212.130 1.00 78.41 H +ATOM 3910 HG21 VAL A 279 145.678 165.723 210.438 1.00 72.31 H +ATOM 3911 HG22 VAL A 279 145.628 164.167 210.122 1.00 72.31 H +ATOM 3912 HG23 VAL A 279 144.278 164.983 210.311 1.00 72.31 H +ATOM 3913 N PRO A 280 145.019 161.962 214.400 1.00 52.32 N +ATOM 3914 CA PRO A 280 144.961 161.696 215.843 1.00 60.48 C +ATOM 3915 C PRO A 280 145.808 162.670 216.657 1.00 59.10 C +ATOM 3916 O PRO A 280 146.705 163.310 216.110 1.00 61.15 O +ATOM 3917 CB PRO A 280 145.499 160.268 215.958 1.00 53.75 C +ATOM 3918 CG PRO A 280 146.376 160.101 214.783 1.00 51.97 C +ATOM 3919 CD PRO A 280 145.771 160.917 213.682 1.00 53.63 C +ATOM 3920 HA PRO A 280 144.043 161.723 216.156 1.00 72.57 H +ATOM 3921 HB2 PRO A 280 146.004 160.173 216.780 1.00 64.50 H +ATOM 3922 HB3 PRO A 280 144.763 159.637 215.930 1.00 64.50 H +ATOM 3923 HG2 PRO A 280 147.266 160.425 214.995 1.00 62.36 H +ATOM 3924 HG3 PRO A 280 146.407 159.165 214.533 1.00 62.36 H +ATOM 3925 HD2 PRO A 280 146.467 161.316 213.136 1.00 64.36 H +ATOM 3926 HD3 PRO A 280 145.170 160.373 213.150 1.00 64.36 H +ATOM 3927 N GLU A 281 145.521 162.755 217.955 1.00 54.28 N +ATOM 3928 CA GLU A 281 146.128 163.749 218.839 1.00 61.19 C +ATOM 3929 C GLU A 281 147.652 163.774 218.765 1.00 66.69 C +ATOM 3930 O GLU A 281 148.262 164.842 218.687 1.00 65.59 O +ATOM 3931 CB GLU A 281 145.707 163.493 220.292 1.00 62.14 C +ATOM 3932 CG GLU A 281 144.206 163.359 220.518 1.00 78.21 C +ATOM 3933 CD GLU A 281 143.453 164.645 220.251 1.00 87.87 C +ATOM 3934 OE1 GLU A 281 143.606 165.599 221.041 1.00 90.67 O +ATOM 3935 OE2 GLU A 281 142.705 164.702 219.251 1.00 97.64 O +ATOM 3936 H GLU A 281 144.966 162.235 218.356 1.00 65.14 H +ATOM 3937 HA GLU A 281 145.805 164.628 218.587 1.00 73.43 H +ATOM 3938 HB2 GLU A 281 146.123 162.669 220.592 1.00 74.56 H +ATOM 3939 HB3 GLU A 281 146.020 164.231 220.837 1.00 74.56 H +ATOM 3940 HG2 GLU A 281 143.857 162.678 219.921 1.00 93.85 H +ATOM 3941 HG3 GLU A 281 144.047 163.105 221.440 1.00 93.85 H +ATOM 3942 N HIS A 282 148.265 162.594 218.790 1.00 56.90 N +ATOM 3943 CA HIS A 282 149.714 162.494 218.928 1.00 63.66 C +ATOM 3944 C HIS A 282 150.464 162.842 217.643 1.00 52.66 C +ATOM 3945 O HIS A 282 151.678 163.037 217.669 1.00 52.39 O +ATOM 3946 CB HIS A 282 150.100 161.087 219.384 1.00 79.10 C +ATOM 3947 CG HIS A 282 149.876 160.032 218.347 1.00 69.06 C +ATOM 3948 ND1 HIS A 282 148.660 159.408 218.169 1.00 65.08 N +ATOM 3949 CD2 HIS A 282 150.714 159.488 217.434 1.00 61.23 C +ATOM 3950 CE1 HIS A 282 148.759 158.527 217.190 1.00 66.17 C +ATOM 3951 NE2 HIS A 282 149.996 158.556 216.726 1.00 64.40 N +ATOM 3952 H HIS A 282 147.863 161.836 218.729 1.00 68.28 H +ATOM 3953 HA HIS A 282 150.003 163.116 219.614 1.00 76.39 H +ATOM 3954 HB2 HIS A 282 151.043 161.081 219.614 1.00 94.92 H +ATOM 3955 HB3 HIS A 282 149.570 160.854 220.163 1.00 94.92 H +ATOM 3956 HD2 HIS A 282 151.610 159.707 217.308 1.00 73.48 H +ATOM 3957 HE1 HIS A 282 148.075 157.979 216.879 1.00 79.41 H +ATOM 3958 HE2 HIS A 282 150.301 158.070 216.086 1.00 77.28 H +ATOM 3959 N LEU A 283 149.748 162.911 216.525 1.00 49.60 N +ATOM 3960 CA LEU A 283 150.350 163.280 215.246 1.00 49.03 C +ATOM 3961 C LEU A 283 150.089 164.741 214.907 1.00 47.82 C +ATOM 3962 O LEU A 283 150.580 165.249 213.899 1.00 47.61 O +ATOM 3963 CB LEU A 283 149.822 162.387 214.121 1.00 53.78 C +ATOM 3964 CG LEU A 283 150.316 160.937 214.107 1.00 48.30 C +ATOM 3965 CD1 LEU A 283 149.612 160.157 213.012 1.00 53.48 C +ATOM 3966 CD2 LEU A 283 151.829 160.868 213.922 1.00 60.11 C +ATOM 3967 H LEU A 283 148.905 162.747 216.480 1.00 59.52 H +ATOM 3968 HA LEU A 283 151.310 163.153 215.302 1.00 58.84 H +ATOM 3969 HB2 LEU A 283 148.855 162.360 214.184 1.00 64.54 H +ATOM 3970 HB3 LEU A 283 150.076 162.784 213.273 1.00 64.54 H +ATOM 3971 HG LEU A 283 150.099 160.523 214.957 1.00 57.96 H +ATOM 3972 HD11 LEU A 283 149.937 159.243 213.018 1.00 64.18 H +ATOM 3973 HD12 LEU A 283 148.657 160.170 213.179 1.00 64.18 H +ATOM 3974 HD13 LEU A 283 149.805 160.571 212.156 1.00 64.18 H +ATOM 3975 HD21 LEU A 283 152.103 159.938 213.919 1.00 72.13 H +ATOM 3976 HD22 LEU A 283 152.062 161.286 213.078 1.00 72.13 H +ATOM 3977 HD23 LEU A 283 152.258 161.337 214.654 1.00 72.13 H +ATOM 3978 N ARG A 284 149.313 165.415 215.746 1.00 40.17 N +ATOM 3979 CA ARG A 284 149.065 166.837 215.563 1.00 43.96 C +ATOM 3980 C ARG A 284 150.263 167.639 216.057 1.00 40.86 C +ATOM 3981 O ARG A 284 150.268 168.139 217.181 1.00 40.82 O +ATOM 3982 CB ARG A 284 147.791 167.260 216.297 1.00 53.06 C +ATOM 3983 CG ARG A 284 146.524 166.666 215.702 1.00 54.72 C +ATOM 3984 CD ARG A 284 145.309 166.909 216.582 1.00 58.12 C +ATOM 3985 NE ARG A 284 144.128 166.206 216.081 1.00 65.86 N +ATOM 3986 CZ ARG A 284 143.169 166.751 215.336 1.00 73.72 C +ATOM 3987 NH1 ARG A 284 143.220 168.031 214.990 1.00 77.22 N +ATOM 3988 NH2 ARG A 284 142.145 166.010 214.936 1.00 80.74 N +ATOM 3989 H ARG A 284 148.918 165.072 216.429 1.00 48.20 H +ATOM 3990 HA ARG A 284 148.945 167.021 214.618 1.00 52.75 H +ATOM 3991 HB2 ARG A 284 147.851 166.970 217.221 1.00 63.67 H +ATOM 3992 HB3 ARG A 284 147.714 168.226 216.259 1.00 63.67 H +ATOM 3993 HG2 ARG A 284 146.357 167.073 214.837 1.00 65.66 H +ATOM 3994 HG3 ARG A 284 146.638 165.707 215.603 1.00 65.66 H +ATOM 3995 HD2 ARG A 284 145.495 166.589 217.478 1.00 69.75 H +ATOM 3996 HD3 ARG A 284 145.113 167.859 216.599 1.00 69.75 H +ATOM 3997 HE ARG A 284 144.046 165.374 216.284 1.00 79.03 H +ATOM 3998 HH11 ARG A 284 143.881 168.519 215.244 1.00 92.67 H +ATOM 3999 HH12 ARG A 284 142.593 168.371 214.510 1.00 92.67 H +ATOM 4000 HH21 ARG A 284 142.102 165.180 215.157 1.00 96.89 H +ATOM 4001 HH22 ARG A 284 141.522 166.360 214.457 1.00 96.89 H +ATOM 4002 N PHE A 285 151.285 167.742 215.212 1.00 42.60 N +ATOM 4003 CA PHE A 285 152.481 168.507 215.539 1.00 40.07 C +ATOM 4004 C PHE A 285 152.185 170.001 215.499 1.00 37.24 C +ATOM 4005 O PHE A 285 151.469 170.476 214.621 1.00 30.01 O +ATOM 4006 CB PHE A 285 153.622 168.177 214.571 1.00 47.09 C +ATOM 4007 CG PHE A 285 154.171 166.784 214.716 1.00 47.39 C +ATOM 4008 CD1 PHE A 285 154.230 166.166 215.951 1.00 57.51 C +ATOM 4009 CD2 PHE A 285 154.636 166.097 213.610 1.00 61.55 C +ATOM 4010 CE1 PHE A 285 154.738 164.890 216.078 1.00 48.40 C +ATOM 4011 CE2 PHE A 285 155.144 164.820 213.735 1.00 65.94 C +ATOM 4012 CZ PHE A 285 155.195 164.218 214.970 1.00 48.98 C +ATOM 4013 H PHE A 285 151.308 167.373 214.436 1.00 51.12 H +ATOM 4014 HA PHE A 285 152.770 168.279 216.437 1.00 48.08 H +ATOM 4015 HB2 PHE A 285 153.297 168.273 213.662 1.00 56.51 H +ATOM 4016 HB3 PHE A 285 154.351 168.799 214.725 1.00 56.51 H +ATOM 4017 HD1 PHE A 285 153.923 166.615 216.705 1.00 69.02 H +ATOM 4018 HD2 PHE A 285 154.605 166.499 212.772 1.00 73.86 H +ATOM 4019 HE1 PHE A 285 154.771 164.484 216.914 1.00 58.08 H +ATOM 4020 HE2 PHE A 285 155.453 164.366 212.984 1.00 79.13 H +ATOM 4021 HZ PHE A 285 155.537 163.358 215.055 1.00 58.77 H +ATOM 4022 N ALA A 286 152.752 170.729 216.454 1.00 33.25 N +ATOM 4023 CA ALA A 286 152.521 172.161 216.577 1.00 34.37 C +ATOM 4024 C ALA A 286 153.796 172.946 216.292 1.00 32.80 C +ATOM 4025 O ALA A 286 154.830 172.717 216.917 1.00 29.09 O +ATOM 4026 CB ALA A 286 151.998 172.488 217.962 1.00 33.45 C +ATOM 4027 H ALA A 286 153.282 170.411 217.052 1.00 39.90 H +ATOM 4028 HA ALA A 286 151.850 172.431 215.930 1.00 41.24 H +ATOM 4029 HB1 ALA A 286 151.851 173.445 218.025 1.00 40.14 H +ATOM 4030 HB2 ALA A 286 151.164 172.014 218.104 1.00 40.14 H +ATOM 4031 HB3 ALA A 286 152.654 172.210 218.620 1.00 40.14 H +ATOM 4032 N VAL A 287 153.713 173.866 215.336 1.00 31.19 N +ATOM 4033 CA VAL A 287 154.835 174.733 214.991 1.00 28.26 C +ATOM 4034 C VAL A 287 154.344 176.159 214.769 1.00 35.58 C +ATOM 4035 O VAL A 287 153.147 176.428 214.860 1.00 32.68 O +ATOM 4036 CB VAL A 287 155.578 174.234 213.732 1.00 27.91 C +ATOM 4037 CG1 VAL A 287 156.156 172.850 213.979 1.00 26.13 C +ATOM 4038 CG2 VAL A 287 154.654 174.226 212.522 1.00 28.07 C +ATOM 4039 H VAL A 287 153.007 174.010 214.866 1.00 37.43 H +ATOM 4040 HA VAL A 287 155.466 174.743 215.728 1.00 33.91 H +ATOM 4041 HB VAL A 287 156.314 174.836 213.542 1.00 33.49 H +ATOM 4042 HG11 VAL A 287 156.617 172.554 213.179 1.00 31.35 H +ATOM 4043 HG12 VAL A 287 156.777 172.895 214.722 1.00 31.35 H +ATOM 4044 HG13 VAL A 287 155.432 172.239 214.189 1.00 31.35 H +ATOM 4045 HG21 VAL A 287 155.148 173.909 211.750 1.00 33.68 H +ATOM 4046 HG22 VAL A 287 153.905 173.637 212.700 1.00 33.68 H +ATOM 4047 HG23 VAL A 287 154.334 175.129 212.363 1.00 33.68 H +ATOM 4048 N GLY A 288 155.275 177.063 214.481 1.00 34.49 N +ATOM 4049 CA GLY A 288 154.967 178.476 214.352 1.00 29.63 C +ATOM 4050 C GLY A 288 153.849 178.777 213.371 1.00 24.36 C +ATOM 4051 O GLY A 288 152.935 179.536 213.683 1.00 29.01 O +ATOM 4052 H GLY A 288 156.105 176.876 214.354 1.00 41.39 H +ATOM 4053 HA2 GLY A 288 154.709 178.826 215.219 1.00 35.56 H +ATOM 4054 HA3 GLY A 288 155.761 178.949 214.059 1.00 35.56 H +ATOM 4055 N GLN A 289 153.924 178.175 212.189 1.00 31.23 N +ATOM 4056 CA GLN A 289 152.936 178.404 211.140 1.00 42.52 C +ATOM 4057 C GLN A 289 151.760 177.433 211.253 1.00 44.79 C +ATOM 4058 O GLN A 289 151.933 176.216 211.174 1.00 35.33 O +ATOM 4059 CB GLN A 289 153.593 178.279 209.766 1.00 43.36 C +ATOM 4060 CG GLN A 289 153.469 179.526 208.904 1.00 47.29 C +ATOM 4061 CD GLN A 289 152.087 179.688 208.302 1.00 48.75 C +ATOM 4062 OE1 GLN A 289 151.098 179.195 208.846 1.00 40.08 O +ATOM 4063 NE2 GLN A 289 152.013 180.379 207.168 1.00 47.97 N +ATOM 4064 H GLN A 289 154.544 177.622 211.967 1.00 37.48 H +ATOM 4065 HA GLN A 289 152.589 179.306 211.226 1.00 51.03 H +ATOM 4066 HB2 GLN A 289 154.537 178.096 209.887 1.00 52.03 H +ATOM 4067 HB3 GLN A 289 153.175 177.546 209.287 1.00 52.03 H +ATOM 4068 HG2 GLN A 289 153.651 180.307 209.449 1.00 56.74 H +ATOM 4069 HG3 GLN A 289 154.108 179.472 208.176 1.00 56.74 H +ATOM 4070 HE21 GLN A 289 152.726 180.706 206.816 1.00 57.56 H +ATOM 4071 HE22 GLN A 289 151.251 180.499 206.786 1.00 57.56 H +ATOM 4072 N GLU A 290 150.566 177.993 211.424 1.00 51.53 N +ATOM 4073 CA GLU A 290 149.343 177.213 211.626 1.00 46.57 C +ATOM 4074 C GLU A 290 149.095 176.140 210.564 1.00 46.74 C +ATOM 4075 O GLU A 290 148.443 175.134 210.840 1.00 45.80 O +ATOM 4076 CB GLU A 290 148.129 178.151 211.670 1.00 43.84 C +ATOM 4077 CG GLU A 290 147.917 178.863 213.005 1.00 58.63 C +ATOM 4078 CD GLU A 290 148.664 180.184 213.119 1.00 68.15 C +ATOM 4079 OE1 GLU A 290 149.511 180.482 212.249 1.00 57.63 O +ATOM 4080 OE2 GLU A 290 148.394 180.930 214.085 1.00 53.89 O +ATOM 4081 H GLU A 290 150.433 178.842 211.428 1.00 61.83 H +ATOM 4082 HA GLU A 290 149.400 176.766 212.485 1.00 55.88 H +ATOM 4083 HB2 GLU A 290 148.240 178.833 210.989 1.00 52.61 H +ATOM 4084 HB3 GLU A 290 147.331 177.632 211.485 1.00 52.61 H +ATOM 4085 HG2 GLU A 290 146.971 179.046 213.116 1.00 70.35 H +ATOM 4086 HG3 GLU A 290 148.227 178.285 213.721 1.00 70.35 H +ATOM 4087 N VAL A 291 149.619 176.348 209.358 1.00 42.88 N +ATOM 4088 CA VAL A 291 149.248 175.522 208.209 1.00 40.58 C +ATOM 4089 C VAL A 291 150.280 174.462 207.824 1.00 40.46 C +ATOM 4090 O VAL A 291 150.089 173.740 206.846 1.00 40.74 O +ATOM 4091 CB VAL A 291 148.990 176.399 206.963 1.00 44.33 C +ATOM 4092 CG1 VAL A 291 147.987 177.496 207.284 1.00 48.20 C +ATOM 4093 CG2 VAL A 291 150.291 177.002 206.440 1.00 50.87 C +ATOM 4094 H VAL A 291 150.193 176.962 209.178 1.00 51.46 H +ATOM 4095 HA VAL A 291 148.421 175.060 208.418 1.00 48.70 H +ATOM 4096 HB VAL A 291 148.613 175.846 206.261 1.00 53.20 H +ATOM 4097 HG11 VAL A 291 147.841 178.033 206.490 1.00 57.84 H +ATOM 4098 HG12 VAL A 291 147.153 177.088 207.567 1.00 57.84 H +ATOM 4099 HG13 VAL A 291 148.343 178.050 207.997 1.00 57.84 H +ATOM 4100 HG21 VAL A 291 150.096 177.545 205.660 1.00 61.04 H +ATOM 4101 HG22 VAL A 291 150.687 177.551 207.135 1.00 61.04 H +ATOM 4102 HG23 VAL A 291 150.897 176.284 206.200 1.00 61.04 H +ATOM 4103 N PHE A 292 151.368 174.360 208.578 1.00 46.25 N +ATOM 4104 CA PHE A 292 152.480 173.500 208.177 1.00 54.34 C +ATOM 4105 C PHE A 292 152.220 172.013 208.409 1.00 53.44 C +ATOM 4106 O PHE A 292 153.067 171.176 208.095 1.00 47.62 O +ATOM 4107 CB PHE A 292 153.760 173.924 208.903 1.00 58.73 C +ATOM 4108 CG PHE A 292 154.453 175.111 208.280 1.00 51.87 C +ATOM 4109 CD1 PHE A 292 153.873 175.816 207.235 1.00 39.99 C +ATOM 4110 CD2 PHE A 292 155.697 175.514 208.734 1.00 45.97 C +ATOM 4111 CE1 PHE A 292 154.515 176.895 206.666 1.00 40.79 C +ATOM 4112 CE2 PHE A 292 156.342 176.594 208.168 1.00 37.24 C +ATOM 4113 CZ PHE A 292 155.752 177.284 207.133 1.00 39.39 C +ATOM 4114 H PHE A 292 151.489 174.774 209.321 1.00 55.50 H +ATOM 4115 HA PHE A 292 152.632 173.621 207.227 1.00 65.21 H +ATOM 4116 HB2 PHE A 292 153.537 174.157 209.818 1.00 70.47 H +ATOM 4117 HB3 PHE A 292 154.383 173.180 208.896 1.00 70.47 H +ATOM 4118 HD1 PHE A 292 153.039 175.557 206.915 1.00 47.98 H +ATOM 4119 HD2 PHE A 292 156.102 175.052 209.432 1.00 55.16 H +ATOM 4120 HE1 PHE A 292 154.114 177.360 205.967 1.00 48.95 H +ATOM 4121 HE2 PHE A 292 157.177 176.855 208.484 1.00 44.69 H +ATOM 4122 HZ PHE A 292 156.186 178.013 206.751 1.00 47.27 H +ATOM 4123 N GLY A 293 151.045 171.680 208.931 1.00 50.87 N +ATOM 4124 CA GLY A 293 150.628 170.293 209.002 1.00 55.43 C +ATOM 4125 C GLY A 293 150.191 169.781 207.638 1.00 57.76 C +ATOM 4126 O GLY A 293 150.082 168.574 207.431 1.00 54.14 O +ATOM 4127 H GLY A 293 150.475 172.239 209.249 1.00 61.05 H +ATOM 4128 HA2 GLY A 293 151.364 169.746 209.318 1.00 66.52 H +ATOM 4129 HA3 GLY A 293 149.886 170.206 209.620 1.00 66.52 H +ATOM 4130 N LEU A 294 149.946 170.706 206.711 1.00 65.96 N +ATOM 4131 CA LEU A 294 149.464 170.393 205.366 1.00 55.83 C +ATOM 4132 C LEU A 294 150.233 169.263 204.691 1.00 56.62 C +ATOM 4133 O LEU A 294 149.622 168.319 204.193 1.00 52.95 O +ATOM 4134 CB LEU A 294 149.526 171.645 204.487 1.00 64.90 C +ATOM 4135 CG LEU A 294 149.059 171.524 203.031 1.00 74.33 C +ATOM 4136 CD1 LEU A 294 147.562 171.267 202.938 1.00 56.35 C +ATOM 4137 CD2 LEU A 294 149.437 172.775 202.252 1.00 60.68 C +ATOM 4138 H LEU A 294 150.056 171.549 206.843 1.00 79.15 H +ATOM 4139 HA LEU A 294 148.535 170.121 205.425 1.00 67.00 H +ATOM 4140 HB2 LEU A 294 148.979 172.329 204.903 1.00 77.88 H +ATOM 4141 HB3 LEU A 294 150.448 171.948 204.464 1.00 77.88 H +ATOM 4142 HG LEU A 294 149.513 170.772 202.620 1.00 89.20 H +ATOM 4143 HD11 LEU A 294 147.311 171.198 202.003 1.00 67.62 H +ATOM 4144 HD12 LEU A 294 147.355 170.439 203.399 1.00 67.62 H +ATOM 4145 HD13 LEU A 294 147.089 172.005 203.354 1.00 67.62 H +ATOM 4146 HD21 LEU A 294 149.134 172.679 201.335 1.00 72.81 H +ATOM 4147 HD22 LEU A 294 149.011 173.543 202.663 1.00 72.81 H +ATOM 4148 HD23 LEU A 294 150.401 172.880 202.272 1.00 72.81 H +ATOM 4149 N VAL A 295 151.560 169.351 204.676 1.00 56.13 N +ATOM 4150 CA VAL A 295 152.372 168.308 204.052 1.00 60.18 C +ATOM 4151 C VAL A 295 153.622 167.977 204.866 1.00 42.46 C +ATOM 4152 O VAL A 295 154.223 168.862 205.468 1.00 45.03 O +ATOM 4153 CB VAL A 295 152.806 168.703 202.629 1.00 54.11 C +ATOM 4154 CG1 VAL A 295 151.622 168.658 201.689 1.00 60.18 C +ATOM 4155 CG2 VAL A 295 153.445 170.080 202.623 1.00 54.65 C +ATOM 4156 H VAL A 295 152.013 169.999 205.016 1.00 67.36 H +ATOM 4157 HA VAL A 295 151.841 167.499 203.984 1.00 72.22 H +ATOM 4158 HB VAL A 295 153.465 168.065 202.312 1.00 64.93 H +ATOM 4159 HG11 VAL A 295 151.916 168.909 200.800 1.00 72.21 H +ATOM 4160 HG12 VAL A 295 151.263 167.756 201.677 1.00 72.21 H +ATOM 4161 HG13 VAL A 295 150.947 169.279 202.003 1.00 72.21 H +ATOM 4162 HG21 VAL A 295 153.708 170.302 201.716 1.00 65.58 H +ATOM 4163 HG22 VAL A 295 152.801 170.728 202.949 1.00 65.58 H +ATOM 4164 HG23 VAL A 295 154.225 170.069 203.200 1.00 65.58 H +ATOM 4165 N PRO A 296 154.025 166.693 204.881 1.00 47.35 N +ATOM 4166 CA PRO A 296 155.212 166.250 205.628 1.00 50.42 C +ATOM 4167 C PRO A 296 156.497 166.954 205.202 1.00 42.31 C +ATOM 4168 O PRO A 296 157.444 167.028 205.986 1.00 34.82 O +ATOM 4169 CB PRO A 296 155.288 164.755 205.302 1.00 62.98 C +ATOM 4170 CG PRO A 296 153.917 164.382 204.913 1.00 49.05 C +ATOM 4171 CD PRO A 296 153.352 165.560 204.222 1.00 51.69 C +ATOM 4172 HA PRO A 296 155.077 166.368 206.581 1.00 60.51 H +ATOM 4173 HB2 PRO A 296 155.905 164.610 204.568 1.00 75.58 H +ATOM 4174 HB3 PRO A 296 155.568 164.262 206.089 1.00 75.58 H +ATOM 4175 HG2 PRO A 296 153.946 163.619 204.315 1.00 58.86 H +ATOM 4176 HG3 PRO A 296 153.400 164.174 205.707 1.00 58.86 H +ATOM 4177 HD2 PRO A 296 153.573 165.537 203.278 1.00 62.03 H +ATOM 4178 HD3 PRO A 296 152.393 165.607 204.362 1.00 62.03 H +ATOM 4179 N GLY A 297 156.529 167.451 203.969 1.00 42.46 N +ATOM 4180 CA GLY A 297 157.680 168.176 203.465 1.00 44.40 C +ATOM 4181 C GLY A 297 157.897 169.474 204.217 1.00 39.81 C +ATOM 4182 O GLY A 297 159.032 169.866 204.487 1.00 34.72 O +ATOM 4183 H GLY A 297 155.886 167.379 203.402 1.00 50.95 H +ATOM 4184 HA2 GLY A 297 158.476 167.629 203.557 1.00 53.28 H +ATOM 4185 HA3 GLY A 297 157.551 168.381 202.526 1.00 53.28 H +ATOM 4186 N LEU A 298 156.803 170.147 204.555 1.00 45.19 N +ATOM 4187 CA LEU A 298 156.868 171.363 205.354 1.00 42.66 C +ATOM 4188 C LEU A 298 157.307 171.044 206.770 1.00 38.13 C +ATOM 4189 O LEU A 298 158.178 171.712 207.329 1.00 29.89 O +ATOM 4190 CB LEU A 298 155.514 172.069 205.382 1.00 34.12 C +ATOM 4191 CG LEU A 298 155.085 172.754 204.087 1.00 43.44 C +ATOM 4192 CD1 LEU A 298 153.645 173.211 204.195 1.00 53.24 C +ATOM 4193 CD2 LEU A 298 155.999 173.926 203.785 1.00 49.16 C +ATOM 4194 H LEU A 298 156.005 169.918 204.332 1.00 54.23 H +ATOM 4195 HA LEU A 298 157.519 171.968 204.963 1.00 51.20 H +ATOM 4196 HB2 LEU A 298 154.834 171.414 205.601 1.00 40.94 H +ATOM 4197 HB3 LEU A 298 155.540 172.750 206.073 1.00 40.94 H +ATOM 4198 HG LEU A 298 155.149 172.121 203.354 1.00 52.13 H +ATOM 4199 HD11 LEU A 298 153.388 173.643 203.366 1.00 63.89 H +ATOM 4200 HD12 LEU A 298 153.080 172.439 204.355 1.00 63.89 H +ATOM 4201 HD13 LEU A 298 153.567 173.837 204.932 1.00 63.89 H +ATOM 4202 HD21 LEU A 298 155.711 174.346 202.960 1.00 58.99 H +ATOM 4203 HD22 LEU A 298 155.949 174.561 204.517 1.00 58.99 H +ATOM 4204 HD23 LEU A 298 156.908 173.600 203.691 1.00 58.99 H +ATOM 4205 N MET A 299 156.690 170.015 207.340 1.00 34.86 N +ATOM 4206 CA MET A 299 156.956 169.614 208.711 1.00 36.20 C +ATOM 4207 C MET A 299 158.388 169.106 208.847 1.00 32.42 C +ATOM 4208 O MET A 299 158.971 169.160 209.928 1.00 31.40 O +ATOM 4209 CB MET A 299 155.951 168.544 209.152 1.00 35.84 C +ATOM 4210 CG MET A 299 155.941 168.246 210.645 1.00 48.41 C +ATOM 4211 SD MET A 299 155.616 169.671 211.707 1.00 36.88 S +ATOM 4212 CE MET A 299 154.061 170.265 211.059 1.00 33.77 C +ATOM 4213 H MET A 299 156.103 169.527 206.944 1.00 41.83 H +ATOM 4214 HA MET A 299 156.842 170.384 209.290 1.00 43.44 H +ATOM 4215 HB2 MET A 299 155.060 168.839 208.907 1.00 43.01 H +ATOM 4216 HB3 MET A 299 156.159 167.717 208.690 1.00 43.01 H +ATOM 4217 HG2 MET A 299 155.253 167.586 210.823 1.00 58.09 H +ATOM 4218 HG3 MET A 299 156.807 167.887 210.894 1.00 58.09 H +ATOM 4219 HE1 MET A 299 154.177 170.500 210.125 1.00 40.52 H +ATOM 4220 HE2 MET A 299 153.396 169.563 211.144 1.00 40.52 H +ATOM 4221 HE3 MET A 299 153.786 171.045 211.565 1.00 40.52 H +ATOM 4222 N MET A 300 158.951 168.615 207.746 1.00 35.13 N +ATOM 4223 CA MET A 300 160.352 168.207 207.722 1.00 37.25 C +ATOM 4224 C MET A 300 161.252 169.397 208.024 1.00 31.78 C +ATOM 4225 O MET A 300 162.116 169.326 208.898 1.00 30.80 O +ATOM 4226 CB MET A 300 160.728 167.607 206.365 1.00 38.59 C +ATOM 4227 CG MET A 300 162.186 167.144 206.268 1.00 38.19 C +ATOM 4228 SD MET A 300 162.758 166.926 204.571 1.00 38.70 S +ATOM 4229 CE MET A 300 162.833 168.627 204.014 1.00 35.05 C +ATOM 4230 H MET A 300 158.541 168.508 206.998 1.00 42.16 H +ATOM 4231 HA MET A 300 160.493 167.527 208.399 1.00 44.70 H +ATOM 4232 HB2 MET A 300 160.162 166.837 206.197 1.00 46.30 H +ATOM 4233 HB3 MET A 300 160.584 168.276 205.677 1.00 46.30 H +ATOM 4234 HG2 MET A 300 162.754 167.807 206.690 1.00 45.83 H +ATOM 4235 HG3 MET A 300 162.275 166.293 206.724 1.00 45.83 H +ATOM 4236 HE1 MET A 300 163.135 168.644 203.092 1.00 42.06 H +ATOM 4237 HE2 MET A 300 161.948 169.019 204.080 1.00 42.06 H +ATOM 4238 HE3 MET A 300 163.455 169.116 204.576 1.00 42.06 H +ATOM 4239 N TYR A 301 161.049 170.489 207.291 1.00 28.90 N +ATOM 4240 CA TYR A 301 161.842 171.698 207.488 1.00 29.55 C +ATOM 4241 C TYR A 301 161.546 172.352 208.830 1.00 23.71 C +ATOM 4242 O TYR A 301 162.438 172.922 209.455 1.00 25.85 O +ATOM 4243 CB TYR A 301 161.596 172.695 206.356 1.00 32.32 C +ATOM 4244 CG TYR A 301 162.479 172.469 205.155 1.00 32.02 C +ATOM 4245 CD1 TYR A 301 163.853 172.641 205.245 1.00 24.51 C +ATOM 4246 CD2 TYR A 301 161.943 172.085 203.934 1.00 31.28 C +ATOM 4247 CE1 TYR A 301 164.668 172.434 204.155 1.00 38.28 C +ATOM 4248 CE2 TYR A 301 162.754 171.878 202.835 1.00 30.20 C +ATOM 4249 CZ TYR A 301 164.115 172.054 202.951 1.00 37.53 C +ATOM 4250 OH TYR A 301 164.929 171.849 201.864 1.00 38.94 O +ATOM 4251 H TYR A 301 160.456 170.555 206.671 1.00 34.68 H +ATOM 4252 HA TYR A 301 162.782 171.460 207.475 1.00 35.46 H +ATOM 4253 HB2 TYR A 301 160.673 172.619 206.066 1.00 38.78 H +ATOM 4254 HB3 TYR A 301 161.765 173.592 206.686 1.00 38.78 H +ATOM 4255 HD1 TYR A 301 164.230 172.897 206.055 1.00 29.41 H +ATOM 4256 HD2 TYR A 301 161.024 171.966 203.854 1.00 37.53 H +ATOM 4257 HE1 TYR A 301 165.588 172.553 204.230 1.00 45.93 H +ATOM 4258 HE2 TYR A 301 162.383 171.620 202.021 1.00 36.24 H +ATOM 4259 HH TYR A 301 164.469 171.623 201.199 1.00 46.73 H +ATOM 4260 N ALA A 302 160.294 172.272 209.269 1.00 27.94 N +ATOM 4261 CA ALA A 302 159.911 172.773 210.582 1.00 27.46 C +ATOM 4262 C ALA A 302 160.695 172.052 211.674 1.00 26.79 C +ATOM 4263 O ALA A 302 161.141 172.666 212.641 1.00 29.83 O +ATOM 4264 CB ALA A 302 158.418 172.605 210.803 1.00 32.96 C +ATOM 4265 H ALA A 302 159.645 171.929 208.821 1.00 33.53 H +ATOM 4266 HA ALA A 302 160.119 173.719 210.635 1.00 32.96 H +ATOM 4267 HB1 ALA A 302 158.189 172.945 211.682 1.00 39.55 H +ATOM 4268 HB2 ALA A 302 157.940 173.101 210.120 1.00 39.55 H +ATOM 4269 HB3 ALA A 302 158.195 171.662 210.744 1.00 39.55 H +ATOM 4270 N THR A 303 160.859 170.744 211.503 1.00 26.97 N +ATOM 4271 CA THR A 303 161.598 169.921 212.453 1.00 29.52 C +ATOM 4272 C THR A 303 163.086 170.257 212.439 1.00 26.28 C +ATOM 4273 O THR A 303 163.715 170.361 213.489 1.00 26.52 O +ATOM 4274 CB THR A 303 161.420 168.419 212.146 1.00 34.73 C +ATOM 4275 OG1 THR A 303 160.036 168.068 212.251 1.00 31.99 O +ATOM 4276 CG2 THR A 303 162.229 167.557 213.112 1.00 35.88 C +ATOM 4277 H THR A 303 160.547 170.304 210.834 1.00 32.36 H +ATOM 4278 HA THR A 303 161.260 170.088 213.346 1.00 35.42 H +ATOM 4279 HB THR A 303 161.729 168.237 211.244 1.00 41.67 H +ATOM 4280 HG1 THR A 303 159.583 168.516 211.703 1.00 38.39 H +ATOM 4281 HG21 THR A 303 162.104 166.618 212.903 1.00 43.06 H +ATOM 4282 HG22 THR A 303 163.172 167.774 213.039 1.00 43.06 H +ATOM 4283 HG23 THR A 303 161.938 167.719 214.023 1.00 43.06 H +ATOM 4284 N ILE A 304 163.644 170.416 211.246 1.00 27.43 N +ATOM 4285 CA ILE A 304 165.063 170.712 211.097 1.00 23.97 C +ATOM 4286 C ILE A 304 165.413 172.056 211.729 1.00 27.18 C +ATOM 4287 O ILE A 304 166.431 172.183 212.408 1.00 26.46 O +ATOM 4288 CB ILE A 304 165.474 170.699 209.606 1.00 29.36 C +ATOM 4289 CG1 ILE A 304 165.425 169.265 209.070 1.00 26.43 C +ATOM 4290 CG2 ILE A 304 166.878 171.285 209.410 1.00 29.43 C +ATOM 4291 CD1 ILE A 304 165.532 169.154 207.565 1.00 24.82 C +ATOM 4292 H ILE A 304 163.219 170.358 210.500 1.00 32.92 H +ATOM 4293 HA ILE A 304 165.575 170.026 211.553 1.00 28.76 H +ATOM 4294 HB ILE A 304 164.842 171.238 209.106 1.00 35.23 H +ATOM 4295 HG12 ILE A 304 166.161 168.764 209.455 1.00 31.71 H +ATOM 4296 HG13 ILE A 304 164.583 168.863 209.335 1.00 31.71 H +ATOM 4297 HG21 ILE A 304 167.101 171.261 208.467 1.00 35.31 H +ATOM 4298 HG22 ILE A 304 166.884 172.201 209.729 1.00 35.31 H +ATOM 4299 HG23 ILE A 304 167.514 170.754 209.915 1.00 35.31 H +ATOM 4300 HD11 ILE A 304 165.493 168.218 207.314 1.00 29.78 H +ATOM 4301 HD12 ILE A 304 164.795 169.637 207.160 1.00 29.78 H +ATOM 4302 HD13 ILE A 304 166.376 169.538 207.280 1.00 29.78 H +ATOM 4303 N TRP A 305 164.568 173.058 211.513 1.00 30.77 N +ATOM 4304 CA TRP A 305 164.821 174.391 212.055 1.00 25.43 C +ATOM 4305 C TRP A 305 164.610 174.439 213.565 1.00 21.92 C +ATOM 4306 O TRP A 305 165.304 175.176 214.263 1.00 27.65 O +ATOM 4307 CB TRP A 305 163.932 175.429 211.373 1.00 28.72 C +ATOM 4308 CG TRP A 305 164.435 175.854 210.032 1.00 20.61 C +ATOM 4309 CD1 TRP A 305 163.873 175.581 208.823 1.00 26.92 C +ATOM 4310 CD2 TRP A 305 165.610 176.626 209.762 1.00 19.74 C +ATOM 4311 NE1 TRP A 305 164.622 176.136 207.815 1.00 23.13 N +ATOM 4312 CE2 TRP A 305 165.696 176.784 208.367 1.00 22.81 C +ATOM 4313 CE3 TRP A 305 166.599 177.199 210.566 1.00 25.63 C +ATOM 4314 CZ2 TRP A 305 166.728 177.492 207.760 1.00 26.35 C +ATOM 4315 CZ3 TRP A 305 167.622 177.901 209.963 1.00 19.97 C +ATOM 4316 CH2 TRP A 305 167.678 178.041 208.574 1.00 23.84 C +ATOM 4317 H TRP A 305 163.842 172.994 211.056 1.00 36.92 H +ATOM 4318 HA TRP A 305 165.744 174.629 211.877 1.00 30.51 H +ATOM 4319 HB2 TRP A 305 163.046 175.053 211.253 1.00 34.46 H +ATOM 4320 HB3 TRP A 305 163.882 176.218 211.936 1.00 34.46 H +ATOM 4321 HD1 TRP A 305 163.093 175.090 208.697 1.00 32.30 H +ATOM 4322 HE1 TRP A 305 164.446 176.086 206.975 1.00 27.76 H +ATOM 4323 HE3 TRP A 305 166.566 177.111 211.492 1.00 30.76 H +ATOM 4324 HZ2 TRP A 305 166.770 177.587 206.836 1.00 31.62 H +ATOM 4325 HZ3 TRP A 305 168.284 178.287 210.489 1.00 23.96 H +ATOM 4326 HH2 TRP A 305 168.380 178.519 208.194 1.00 28.61 H +ATOM 4327 N LEU A 306 163.655 173.662 214.066 1.00 25.12 N +ATOM 4328 CA LEU A 306 163.446 173.555 215.505 1.00 26.82 C +ATOM 4329 C LEU A 306 164.679 172.954 216.163 1.00 27.69 C +ATOM 4330 O LEU A 306 165.112 173.399 217.225 1.00 24.46 O +ATOM 4331 CB LEU A 306 162.217 172.703 215.820 1.00 35.78 C +ATOM 4332 CG LEU A 306 161.913 172.512 217.309 1.00 34.12 C +ATOM 4333 CD1 LEU A 306 161.408 173.800 217.919 1.00 35.83 C +ATOM 4334 CD2 LEU A 306 160.911 171.397 217.522 1.00 39.54 C +ATOM 4335 H LEU A 306 163.116 173.187 213.594 1.00 30.15 H +ATOM 4336 HA LEU A 306 163.305 174.441 215.875 1.00 32.18 H +ATOM 4337 HB2 LEU A 306 161.441 173.123 215.416 1.00 42.94 H +ATOM 4338 HB3 LEU A 306 162.346 171.823 215.434 1.00 42.94 H +ATOM 4339 HG LEU A 306 162.733 172.267 217.767 1.00 40.94 H +ATOM 4340 HD11 LEU A 306 161.224 173.653 218.860 1.00 42.99 H +ATOM 4341 HD12 LEU A 306 162.087 174.485 217.818 1.00 42.99 H +ATOM 4342 HD13 LEU A 306 160.596 174.069 217.461 1.00 42.99 H +ATOM 4343 HD21 LEU A 306 160.741 171.302 218.472 1.00 47.45 H +ATOM 4344 HD22 LEU A 306 160.088 171.621 217.059 1.00 47.45 H +ATOM 4345 HD23 LEU A 306 161.277 170.572 217.166 1.00 47.45 H +ATOM 4346 N ARG A 307 165.235 171.930 215.525 1.00 29.70 N +ATOM 4347 CA ARG A 307 166.464 171.314 215.996 1.00 32.15 C +ATOM 4348 C ARG A 307 167.602 172.323 215.983 1.00 25.40 C +ATOM 4349 O ARG A 307 168.379 172.407 216.930 1.00 26.13 O +ATOM 4350 CB ARG A 307 166.824 170.103 215.137 1.00 29.15 C +ATOM 4351 CG ARG A 307 165.924 168.900 215.353 1.00 30.61 C +ATOM 4352 CD ARG A 307 166.252 167.800 214.370 1.00 31.38 C +ATOM 4353 NE ARG A 307 165.309 166.691 214.442 1.00 31.26 N +ATOM 4354 CZ ARG A 307 165.442 165.554 213.769 1.00 40.69 C +ATOM 4355 NH1 ARG A 307 166.485 165.368 212.970 1.00 33.25 N +ATOM 4356 NH2 ARG A 307 164.532 164.598 213.895 1.00 35.85 N +ATOM 4357 H ARG A 307 164.916 171.573 214.811 1.00 35.64 H +ATOM 4358 HA ARG A 307 166.339 171.011 216.909 1.00 38.58 H +ATOM 4359 HB2 ARG A 307 166.761 170.355 214.202 1.00 34.98 H +ATOM 4360 HB3 ARG A 307 167.733 169.833 215.343 1.00 34.98 H +ATOM 4361 HG2 ARG A 307 166.055 168.557 216.251 1.00 36.73 H +ATOM 4362 HG3 ARG A 307 165.000 169.162 215.223 1.00 36.73 H +ATOM 4363 HD2 ARG A 307 166.224 168.160 213.470 1.00 37.66 H +ATOM 4364 HD3 ARG A 307 167.138 167.455 214.564 1.00 37.66 H +ATOM 4365 HE ARG A 307 164.602 166.795 214.921 1.00 37.51 H +ATOM 4366 HH11 ARG A 307 167.077 165.986 212.886 1.00 39.90 H +ATOM 4367 HH12 ARG A 307 166.569 164.630 212.536 1.00 39.90 H +ATOM 4368 HH21 ARG A 307 163.854 164.715 214.413 1.00 43.02 H +ATOM 4369 HH22 ARG A 307 164.618 163.861 213.460 1.00 43.02 H +ATOM 4370 N GLU A 308 167.693 173.094 214.905 1.00 25.65 N +ATOM 4371 CA GLU A 308 168.739 174.098 214.789 1.00 29.08 C +ATOM 4372 C GLU A 308 168.624 175.132 215.902 1.00 29.01 C +ATOM 4373 O GLU A 308 169.632 175.551 216.467 1.00 29.00 O +ATOM 4374 CB GLU A 308 168.686 174.782 213.420 1.00 31.40 C +ATOM 4375 CG GLU A 308 169.727 175.883 213.224 1.00 31.89 C +ATOM 4376 CD GLU A 308 171.150 175.394 213.394 1.00 30.37 C +ATOM 4377 OE1 GLU A 308 171.380 174.169 213.320 1.00 33.51 O +ATOM 4378 OE2 GLU A 308 172.043 176.239 213.600 1.00 27.55 O +ATOM 4379 H GLU A 308 167.162 173.055 214.230 1.00 30.78 H +ATOM 4380 HA GLU A 308 169.603 173.664 214.872 1.00 34.90 H +ATOM 4381 HB2 GLU A 308 168.832 174.113 212.733 1.00 37.69 H +ATOM 4382 HB3 GLU A 308 167.810 175.182 213.307 1.00 37.69 H +ATOM 4383 HG2 GLU A 308 169.640 176.242 212.327 1.00 38.26 H +ATOM 4384 HG3 GLU A 308 169.572 176.583 213.877 1.00 38.26 H +ATOM 4385 N HIS A 309 167.399 175.533 216.230 1.00 26.90 N +ATOM 4386 CA HIS A 309 167.199 176.508 217.292 1.00 29.65 C +ATOM 4387 C HIS A 309 167.752 176.009 218.622 1.00 31.33 C +ATOM 4388 O HIS A 309 168.460 176.733 219.322 1.00 32.91 O +ATOM 4389 CB HIS A 309 165.721 176.850 217.469 1.00 29.71 C +ATOM 4390 CG HIS A 309 165.467 177.768 218.621 1.00 26.05 C +ATOM 4391 ND1 HIS A 309 165.527 179.139 218.506 1.00 30.31 N +ATOM 4392 CD2 HIS A 309 165.210 177.510 219.924 1.00 30.74 C +ATOM 4393 CE1 HIS A 309 165.291 179.687 219.684 1.00 32.39 C +ATOM 4394 NE2 HIS A 309 165.095 178.720 220.561 1.00 34.59 N +ATOM 4395 H HIS A 309 166.675 175.257 215.856 1.00 32.29 H +ATOM 4396 HA HIS A 309 167.668 177.325 217.061 1.00 35.58 H +ATOM 4397 HB2 HIS A 309 165.399 177.284 216.663 1.00 35.65 H +ATOM 4398 HB3 HIS A 309 165.224 176.031 217.624 1.00 35.65 H +ATOM 4399 HD2 HIS A 309 165.115 176.670 220.312 1.00 36.88 H +ATOM 4400 HE1 HIS A 309 165.266 180.599 219.865 1.00 38.86 H +ATOM 4401 HE2 HIS A 309 164.922 178.830 221.396 1.00 41.51 H +ATOM 4402 N ASN A 310 167.422 174.770 218.970 1.00 32.82 N +ATOM 4403 CA ASN A 310 167.848 174.203 220.241 1.00 35.04 C +ATOM 4404 C ASN A 310 169.327 173.834 220.236 1.00 29.63 C +ATOM 4405 O ASN A 310 169.955 173.760 221.291 1.00 32.96 O +ATOM 4406 CB ASN A 310 166.997 172.982 220.587 1.00 33.68 C +ATOM 4407 CG ASN A 310 165.576 173.354 220.967 1.00 40.76 C +ATOM 4408 OD1 ASN A 310 165.296 174.498 221.321 1.00 38.07 O +ATOM 4409 ND2 ASN A 310 164.671 172.386 220.901 1.00 47.76 N +ATOM 4410 H ASN A 310 166.950 174.238 218.486 1.00 39.39 H +ATOM 4411 HA ASN A 310 167.712 174.864 220.937 1.00 42.05 H +ATOM 4412 HB2 ASN A 310 166.958 172.394 219.816 1.00 40.41 H +ATOM 4413 HB3 ASN A 310 167.398 172.519 221.339 1.00 40.41 H +ATOM 4414 HD21 ASN A 310 163.851 172.548 221.106 1.00 57.31 H +ATOM 4415 HD22 ASN A 310 164.903 171.596 220.652 1.00 57.31 H +ATOM 4416 N ARG A 311 169.885 173.613 219.052 1.00 28.97 N +ATOM 4417 CA ARG A 311 171.320 173.400 218.921 1.00 31.73 C +ATOM 4418 C ARG A 311 172.067 174.701 219.215 1.00 31.83 C +ATOM 4419 O ARG A 311 173.056 174.708 219.944 1.00 33.79 O +ATOM 4420 CB ARG A 311 171.671 172.892 217.522 1.00 28.34 C +ATOM 4421 CG ARG A 311 173.101 172.387 217.384 1.00 31.67 C +ATOM 4422 CD ARG A 311 173.481 172.162 215.927 1.00 34.94 C +ATOM 4423 NE ARG A 311 173.587 173.425 215.200 1.00 32.69 N +ATOM 4424 CZ ARG A 311 174.684 174.174 215.140 1.00 33.18 C +ATOM 4425 NH1 ARG A 311 174.673 175.310 214.456 1.00 30.91 N +ATOM 4426 NH2 ARG A 311 175.795 173.794 215.760 1.00 30.28 N +ATOM 4427 H ARG A 311 169.454 173.582 218.308 1.00 34.76 H +ATOM 4428 HA ARG A 311 171.605 172.734 219.566 1.00 38.08 H +ATOM 4429 HB2 ARG A 311 171.076 172.159 217.299 1.00 34.01 H +ATOM 4430 HB3 ARG A 311 171.551 173.617 216.888 1.00 34.01 H +ATOM 4431 HG2 ARG A 311 173.709 173.043 217.758 1.00 38.00 H +ATOM 4432 HG3 ARG A 311 173.188 171.543 217.854 1.00 38.00 H +ATOM 4433 HD2 ARG A 311 174.341 171.715 215.886 1.00 41.93 H +ATOM 4434 HD3 ARG A 311 172.800 171.621 215.498 1.00 41.93 H +ATOM 4435 HE ARG A 311 172.889 173.704 214.781 1.00 39.22 H +ATOM 4436 HH11 ARG A 311 173.957 175.561 214.051 1.00 37.09 H +ATOM 4437 HH12 ARG A 311 175.383 175.794 214.414 1.00 37.09 H +ATOM 4438 HH21 ARG A 311 175.808 173.059 216.207 1.00 36.33 H +ATOM 4439 HH22 ARG A 311 176.501 174.283 215.716 1.00 36.33 H +ATOM 4440 N VAL A 312 171.585 175.801 218.644 1.00 33.46 N +ATOM 4441 CA VAL A 312 172.205 177.105 218.852 1.00 31.52 C +ATOM 4442 C VAL A 312 172.091 177.516 220.314 1.00 25.31 C +ATOM 4443 O VAL A 312 173.006 178.129 220.862 1.00 28.86 O +ATOM 4444 CB VAL A 312 171.570 178.185 217.947 1.00 27.98 C +ATOM 4445 CG1 VAL A 312 172.044 179.587 218.339 1.00 25.64 C +ATOM 4446 CG2 VAL A 312 171.900 177.907 216.491 1.00 27.11 C +ATOM 4447 H VAL A 312 170.896 175.819 218.130 1.00 40.15 H +ATOM 4448 HA VAL A 312 173.148 177.045 218.630 1.00 37.82 H +ATOM 4449 HB VAL A 312 170.606 178.155 218.048 1.00 33.58 H +ATOM 4450 HG11 VAL A 312 171.626 180.237 217.752 1.00 30.77 H +ATOM 4451 HG12 VAL A 312 171.790 179.760 219.259 1.00 30.77 H +ATOM 4452 HG13 VAL A 312 173.009 179.631 218.248 1.00 30.77 H +ATOM 4453 HG21 VAL A 312 171.494 178.593 215.939 1.00 32.53 H +ATOM 4454 HG22 VAL A 312 172.863 177.917 216.379 1.00 32.53 H +ATOM 4455 HG23 VAL A 312 171.548 177.036 216.249 1.00 32.53 H +ATOM 4456 N CYS A 313 170.968 177.183 220.940 1.00 29.54 N +ATOM 4457 CA CYS A 313 170.797 177.417 222.368 1.00 32.88 C +ATOM 4458 C CYS A 313 171.936 176.769 223.156 1.00 36.10 C +ATOM 4459 O CYS A 313 172.524 177.396 224.037 1.00 28.53 O +ATOM 4460 CB CYS A 313 169.449 176.876 222.849 1.00 38.63 C +ATOM 4461 SG CYS A 313 168.038 177.974 222.556 1.00 31.28 S +ATOM 4462 H CYS A 313 170.288 176.820 220.559 1.00 35.45 H +ATOM 4463 HA CYS A 313 170.817 178.371 222.539 1.00 39.46 H +ATOM 4464 HB2 CYS A 313 169.270 176.040 222.389 1.00 46.35 H +ATOM 4465 HB3 CYS A 313 169.503 176.716 223.804 1.00 46.35 H +ATOM 4466 HG CYS A 313 167.936 178.173 221.377 1.00 37.54 H +ATOM 4467 N ASP A 314 172.248 175.519 222.827 1.00 42.27 N +ATOM 4468 CA ASP A 314 173.321 174.795 223.497 1.00 35.83 C +ATOM 4469 C ASP A 314 174.670 175.479 223.290 1.00 34.81 C +ATOM 4470 O ASP A 314 175.466 175.584 224.223 1.00 37.08 O +ATOM 4471 CB ASP A 314 173.392 173.348 223.000 1.00 39.18 C +ATOM 4472 CG ASP A 314 172.242 172.495 223.506 1.00 42.99 C +ATOM 4473 OD1 ASP A 314 171.707 172.786 224.595 1.00 35.74 O +ATOM 4474 OD2 ASP A 314 171.880 171.524 222.809 1.00 43.89 O +ATOM 4475 H ASP A 314 171.850 175.065 222.214 1.00 50.72 H +ATOM 4476 HA ASP A 314 173.140 174.775 224.450 1.00 42.99 H +ATOM 4477 HB2 ASP A 314 173.362 173.345 222.030 1.00 47.01 H +ATOM 4478 HB3 ASP A 314 174.220 172.948 223.308 1.00 47.01 H +ATOM 4479 N VAL A 315 174.926 175.937 222.069 1.00 33.62 N +ATOM 4480 CA VAL A 315 176.173 176.629 221.761 1.00 33.54 C +ATOM 4481 C VAL A 315 176.304 177.901 222.590 1.00 39.48 C +ATOM 4482 O VAL A 315 177.364 178.176 223.152 1.00 37.17 O +ATOM 4483 CB VAL A 315 176.273 176.987 220.258 1.00 34.07 C +ATOM 4484 CG1 VAL A 315 177.471 177.906 219.987 1.00 28.62 C +ATOM 4485 CG2 VAL A 315 176.377 175.726 219.418 1.00 28.88 C +ATOM 4486 H VAL A 315 174.392 175.860 221.399 1.00 40.35 H +ATOM 4487 HA VAL A 315 176.918 176.049 221.981 1.00 40.25 H +ATOM 4488 HB VAL A 315 175.469 177.458 219.992 1.00 40.88 H +ATOM 4489 HG11 VAL A 315 177.504 178.109 219.039 1.00 34.35 H +ATOM 4490 HG12 VAL A 315 177.364 178.723 220.498 1.00 34.35 H +ATOM 4491 HG13 VAL A 315 178.285 177.451 220.256 1.00 34.35 H +ATOM 4492 HG21 VAL A 315 176.439 175.975 218.483 1.00 34.65 H +ATOM 4493 HG22 VAL A 315 177.170 175.235 219.684 1.00 34.65 H +ATOM 4494 HG23 VAL A 315 175.586 175.184 219.566 1.00 34.65 H +ATOM 4495 N LEU A 316 175.226 178.675 222.662 1.00 39.33 N +ATOM 4496 CA LEU A 316 175.248 179.949 223.374 1.00 44.12 C +ATOM 4497 C LEU A 316 175.381 179.752 224.879 1.00 39.11 C +ATOM 4498 O LEU A 316 175.990 180.573 225.562 1.00 39.33 O +ATOM 4499 CB LEU A 316 173.987 180.761 223.067 1.00 41.75 C +ATOM 4500 CG LEU A 316 173.878 181.350 221.659 1.00 31.53 C +ATOM 4501 CD1 LEU A 316 172.520 182.010 221.472 1.00 38.13 C +ATOM 4502 CD2 LEU A 316 174.995 182.347 221.397 1.00 35.04 C +ATOM 4503 H LEU A 316 174.467 178.486 222.305 1.00 47.20 H +ATOM 4504 HA LEU A 316 176.014 180.463 223.073 1.00 52.94 H +ATOM 4505 HB2 LEU A 316 173.217 180.186 223.197 1.00 50.10 H +ATOM 4506 HB3 LEU A 316 173.944 181.501 223.692 1.00 50.10 H +ATOM 4507 HG LEU A 316 173.956 180.634 221.010 1.00 37.83 H +ATOM 4508 HD11 LEU A 316 172.468 182.378 220.576 1.00 45.76 H +ATOM 4509 HD12 LEU A 316 171.826 181.344 221.598 1.00 45.76 H +ATOM 4510 HD13 LEU A 316 172.420 182.719 222.127 1.00 45.76 H +ATOM 4511 HD21 LEU A 316 174.896 182.701 220.499 1.00 42.05 H +ATOM 4512 HD22 LEU A 316 174.934 183.067 222.045 1.00 42.05 H +ATOM 4513 HD23 LEU A 316 175.848 181.895 221.483 1.00 42.05 H +ATOM 4514 N LYS A 317 174.809 178.671 225.398 1.00 44.53 N +ATOM 4515 CA LYS A 317 174.899 178.395 226.826 1.00 42.83 C +ATOM 4516 C LYS A 317 176.343 178.119 227.221 1.00 43.65 C +ATOM 4517 O LYS A 317 176.788 178.502 228.302 1.00 48.17 O +ATOM 4518 CB LYS A 317 174.016 177.213 227.214 1.00 39.77 C +ATOM 4519 CG LYS A 317 174.061 176.911 228.699 1.00 41.52 C +ATOM 4520 CD LYS A 317 172.887 176.067 229.155 1.00 55.33 C +ATOM 4521 CE LYS A 317 172.504 176.411 230.584 1.00 56.29 C +ATOM 4522 NZ LYS A 317 171.722 177.673 230.651 1.00 51.11 N +ATOM 4523 H LYS A 317 174.366 178.087 224.949 1.00 53.43 H +ATOM 4524 HA LYS A 317 174.595 179.173 227.319 1.00 51.39 H +ATOM 4525 HB2 LYS A 317 173.097 177.413 226.976 1.00 47.72 H +ATOM 4526 HB3 LYS A 317 174.317 176.423 226.738 1.00 47.72 H +ATOM 4527 HG2 LYS A 317 174.877 176.426 228.899 1.00 49.83 H +ATOM 4528 HG3 LYS A 317 174.042 177.746 229.192 1.00 49.83 H +ATOM 4529 HD2 LYS A 317 172.124 176.240 228.583 1.00 66.39 H +ATOM 4530 HD3 LYS A 317 173.131 175.129 229.120 1.00 66.39 H +ATOM 4531 HE2 LYS A 317 171.960 175.696 230.950 1.00 67.55 H +ATOM 4532 HE3 LYS A 317 173.310 176.524 231.113 1.00 67.55 H +ATOM 4533 HZ1 LYS A 317 171.509 177.854 231.496 1.00 61.33 H +ATOM 4534 HZ2 LYS A 317 172.202 178.346 230.323 1.00 61.33 H +ATOM 4535 HZ3 LYS A 317 170.974 177.592 230.175 1.00 61.33 H +ATOM 4536 N GLN A 318 177.073 177.453 226.335 1.00 35.86 N +ATOM 4537 CA GLN A 318 178.491 177.204 226.547 1.00 46.40 C +ATOM 4538 C GLN A 318 179.261 178.522 226.538 1.00 46.20 C +ATOM 4539 O GLN A 318 180.142 178.743 227.366 1.00 54.84 O +ATOM 4540 CB GLN A 318 179.034 176.260 225.474 1.00 46.85 C +ATOM 4541 CG GLN A 318 180.444 175.768 225.735 1.00 64.91 C +ATOM 4542 CD GLN A 318 180.904 174.757 224.706 1.00 76.94 C +ATOM 4543 OE1 GLN A 318 180.392 174.715 223.587 1.00 71.64 O +ATOM 4544 NE2 GLN A 318 181.873 173.931 225.081 1.00 86.20 N +ATOM 4545 H GLN A 318 176.768 177.132 225.597 1.00 43.03 H +ATOM 4546 HA GLN A 318 178.616 176.784 227.413 1.00 55.68 H +ATOM 4547 HB2 GLN A 318 178.456 175.483 225.422 1.00 56.21 H +ATOM 4548 HB3 GLN A 318 179.036 176.724 224.623 1.00 56.21 H +ATOM 4549 HG2 GLN A 318 181.052 176.523 225.709 1.00 77.89 H +ATOM 4550 HG3 GLN A 318 180.476 175.346 226.608 1.00 77.89 H +ATOM 4551 HE21 GLN A 318 182.205 173.989 225.873 1.00103.45 H +ATOM 4552 HE22 GLN A 318 182.170 173.339 224.533 1.00103.45 H +ATOM 4553 N GLU A 319 178.912 179.395 225.599 1.00 46.66 N +ATOM 4554 CA GLU A 319 179.540 180.706 225.486 1.00 39.56 C +ATOM 4555 C GLU A 319 179.119 181.634 226.617 1.00 36.56 C +ATOM 4556 O GLU A 319 179.852 182.553 226.978 1.00 43.20 O +ATOM 4557 CB GLU A 319 179.187 181.354 224.145 1.00 45.25 C +ATOM 4558 CG GLU A 319 179.747 180.635 222.933 1.00 59.51 C +ATOM 4559 CD GLU A 319 181.258 180.690 222.872 1.00 69.05 C +ATOM 4560 OE1 GLU A 319 181.815 181.804 222.959 1.00 60.82 O +ATOM 4561 OE2 GLU A 319 181.886 179.619 222.741 1.00 65.84 O +ATOM 4562 H GLU A 319 178.305 179.250 225.008 1.00 55.99 H +ATOM 4563 HA GLU A 319 180.503 180.600 225.526 1.00 47.47 H +ATOM 4564 HB2 GLU A 319 178.222 181.374 224.054 1.00 54.29 H +ATOM 4565 HB3 GLU A 319 179.535 182.259 224.136 1.00 54.29 H +ATOM 4566 HG2 GLU A 319 179.482 179.702 222.968 1.00 71.41 H +ATOM 4567 HG3 GLU A 319 179.398 181.050 222.129 1.00 71.41 H +ATOM 4568 N HIS A 320 177.931 181.398 227.165 1.00 36.30 N +ATOM 4569 CA HIS A 320 177.355 182.290 228.165 1.00 41.12 C +ATOM 4570 C HIS A 320 176.589 181.526 229.239 1.00 44.97 C +ATOM 4571 O HIS A 320 175.359 181.517 229.239 1.00 42.37 O +ATOM 4572 CB HIS A 320 176.427 183.305 227.497 1.00 36.35 C +ATOM 4573 CG HIS A 320 177.111 184.188 226.501 1.00 36.12 C +ATOM 4574 ND1 HIS A 320 177.877 185.272 226.871 1.00 36.02 N +ATOM 4575 CD2 HIS A 320 177.144 184.148 225.148 1.00 39.74 C +ATOM 4576 CE1 HIS A 320 178.353 185.861 225.789 1.00 36.61 C +ATOM 4577 NE2 HIS A 320 177.923 185.199 224.731 1.00 33.40 N +ATOM 4578 H HIS A 320 177.435 180.722 226.972 1.00 43.56 H +ATOM 4579 HA HIS A 320 178.071 182.779 228.600 1.00 49.35 H +ATOM 4580 HB2 HIS A 320 175.722 182.826 227.033 1.00 43.62 H +ATOM 4581 HB3 HIS A 320 176.042 183.874 228.182 1.00 43.62 H +ATOM 4582 HD1 HIS A 320 178.023 185.525 227.680 1.00 43.23 H +ATOM 4583 HD2 HIS A 320 176.720 183.525 224.604 1.00 47.68 H +ATOM 4584 HE1 HIS A 320 178.898 186.615 225.776 1.00 43.94 H +ATOM 4585 HE2 HIS A 320 178.102 185.394 223.913 1.00 40.08 H +ATOM 4586 N PRO A 321 177.314 180.880 230.163 1.00 51.84 N +ATOM 4587 CA PRO A 321 176.654 180.199 231.283 1.00 41.26 C +ATOM 4588 C PRO A 321 175.909 181.165 232.202 1.00 40.98 C +ATOM 4589 O PRO A 321 175.070 180.736 232.991 1.00 36.25 O +ATOM 4590 CB PRO A 321 177.818 179.524 232.021 1.00 42.27 C +ATOM 4591 CG PRO A 321 179.045 180.240 231.568 1.00 44.87 C +ATOM 4592 CD PRO A 321 178.772 180.672 230.169 1.00 44.62 C +ATOM 4593 HA PRO A 321 176.041 179.522 230.956 1.00 49.51 H +ATOM 4594 HB2 PRO A 321 177.699 179.622 232.979 1.00 50.72 H +ATOM 4595 HB3 PRO A 321 177.860 178.586 231.776 1.00 50.72 H +ATOM 4596 HG2 PRO A 321 179.200 181.010 232.138 1.00 53.85 H +ATOM 4597 HG3 PRO A 321 179.803 179.636 231.597 1.00 53.85 H +ATOM 4598 HD2 PRO A 321 179.234 181.502 229.974 1.00 53.55 H +ATOM 4599 HD3 PRO A 321 179.017 179.972 229.544 1.00 53.55 H +ATOM 4600 N GLU A 322 176.211 182.455 232.089 1.00 48.47 N +ATOM 4601 CA GLU A 322 175.572 183.470 232.920 1.00 45.29 C +ATOM 4602 C GLU A 322 174.240 183.951 232.341 1.00 44.16 C +ATOM 4603 O GLU A 322 173.469 184.619 233.025 1.00 42.42 O +ATOM 4604 CB GLU A 322 176.510 184.670 233.118 1.00 46.94 C +ATOM 4605 CG GLU A 322 176.678 185.595 231.900 1.00 51.04 C +ATOM 4606 CD GLU A 322 177.563 185.007 230.816 1.00 49.61 C +ATOM 4607 OE1 GLU A 322 178.027 183.856 230.974 1.00 45.43 O +ATOM 4608 OE2 GLU A 322 177.796 185.701 229.803 1.00 43.74 O +ATOM 4609 H GLU A 322 176.787 182.770 231.533 1.00 58.17 H +ATOM 4610 HA GLU A 322 175.393 183.089 233.794 1.00 54.35 H +ATOM 4611 HB2 GLU A 322 176.167 185.211 233.846 1.00 56.33 H +ATOM 4612 HB3 GLU A 322 177.390 184.335 233.351 1.00 56.33 H +ATOM 4613 HG2 GLU A 322 175.806 185.765 231.513 1.00 61.24 H +ATOM 4614 HG3 GLU A 322 177.079 186.428 232.191 1.00 61.24 H +ATOM 4615 N TRP A 323 173.975 183.619 231.081 1.00 40.50 N +ATOM 4616 CA TRP A 323 172.757 184.075 230.413 1.00 40.42 C +ATOM 4617 C TRP A 323 171.513 183.361 230.922 1.00 38.54 C +ATOM 4618 O TRP A 323 171.564 182.193 231.302 1.00 42.69 O +ATOM 4619 CB TRP A 323 172.861 183.872 228.899 1.00 38.66 C +ATOM 4620 CG TRP A 323 173.574 184.969 228.173 1.00 32.69 C +ATOM 4621 CD1 TRP A 323 174.293 185.988 228.723 1.00 32.91 C +ATOM 4622 CD2 TRP A 323 173.632 185.156 226.756 1.00 32.12 C +ATOM 4623 NE1 TRP A 323 174.797 186.798 227.735 1.00 31.40 N +ATOM 4624 CE2 TRP A 323 174.404 186.308 226.518 1.00 31.64 C +ATOM 4625 CE3 TRP A 323 173.104 184.460 225.664 1.00 29.12 C +ATOM 4626 CZ2 TRP A 323 174.662 186.779 225.234 1.00 31.47 C +ATOM 4627 CZ3 TRP A 323 173.361 184.929 224.393 1.00 30.33 C +ATOM 4628 CH2 TRP A 323 174.133 186.076 224.188 1.00 32.52 C +ATOM 4629 H TRP A 323 174.484 183.131 230.589 1.00 48.60 H +ATOM 4630 HA TRP A 323 172.644 185.023 230.580 1.00 48.51 H +ATOM 4631 HB2 TRP A 323 173.342 183.047 228.729 1.00 46.39 H +ATOM 4632 HB3 TRP A 323 171.966 183.810 228.532 1.00 46.39 H +ATOM 4633 HD1 TRP A 323 174.425 186.116 229.635 1.00 39.49 H +ATOM 4634 HE1 TRP A 323 175.280 187.498 227.861 1.00 37.68 H +ATOM 4635 HE3 TRP A 323 172.590 183.696 225.793 1.00 34.95 H +ATOM 4636 HZ2 TRP A 323 175.175 187.542 225.094 1.00 37.76 H +ATOM 4637 HZ3 TRP A 323 173.016 184.473 223.660 1.00 36.40 H +ATOM 4638 HH2 TRP A 323 174.290 186.369 223.319 1.00 39.02 H +ATOM 4639 N GLY A 324 170.395 184.077 230.910 1.00 35.34 N +ATOM 4640 CA GLY A 324 169.113 183.507 231.272 1.00 30.57 C +ATOM 4641 C GLY A 324 168.389 182.974 230.052 1.00 32.23 C +ATOM 4642 O GLY A 324 168.834 183.174 228.923 1.00 34.93 O +ATOM 4643 H GLY A 324 170.356 184.907 230.691 1.00 42.40 H +ATOM 4644 HA2 GLY A 324 169.244 182.778 231.899 1.00 36.69 H +ATOM 4645 HA3 GLY A 324 168.560 184.184 231.692 1.00 36.69 H +ATOM 4646 N ASP A 325 167.270 182.298 230.288 1.00 28.37 N +ATOM 4647 CA ASP A 325 166.471 181.698 229.225 1.00 30.31 C +ATOM 4648 C ASP A 325 166.046 182.706 228.153 1.00 30.91 C +ATOM 4649 O ASP A 325 166.102 182.413 226.960 1.00 29.60 O +ATOM 4650 CB ASP A 325 165.231 181.030 229.831 1.00 22.83 C +ATOM 4651 CG ASP A 325 164.163 180.734 228.800 1.00 31.16 C +ATOM 4652 OD1 ASP A 325 164.300 179.733 228.068 1.00 35.05 O +ATOM 4653 OD2 ASP A 325 163.177 181.498 228.728 1.00 32.44 O +ATOM 4654 H ASP A 325 166.945 182.170 231.074 1.00 34.05 H +ATOM 4655 HA ASP A 325 166.997 181.009 228.791 1.00 36.37 H +ATOM 4656 HB2 ASP A 325 165.493 180.191 230.241 1.00 27.40 H +ATOM 4657 HB3 ASP A 325 164.849 181.621 230.498 1.00 27.40 H +ATOM 4658 N GLU A 326 165.622 183.891 228.576 1.00 29.23 N +ATOM 4659 CA GLU A 326 165.094 184.879 227.644 1.00 33.19 C +ATOM 4660 C GLU A 326 166.152 185.333 226.639 1.00 27.94 C +ATOM 4661 O GLU A 326 165.896 185.360 225.437 1.00 22.89 O +ATOM 4662 CB GLU A 326 164.541 186.088 228.403 1.00 31.50 C +ATOM 4663 CG GLU A 326 163.879 187.141 227.517 1.00 24.68 C +ATOM 4664 CD GLU A 326 162.629 186.637 226.827 1.00 26.50 C +ATOM 4665 OE1 GLU A 326 162.095 185.585 227.237 1.00 30.67 O +ATOM 4666 OE2 GLU A 326 162.178 187.298 225.872 1.00 28.05 O +ATOM 4667 H GLU A 326 165.629 184.147 229.397 1.00 35.07 H +ATOM 4668 HA GLU A 326 164.363 184.481 227.147 1.00 39.83 H +ATOM 4669 HB2 GLU A 326 163.876 185.778 229.038 1.00 37.80 H +ATOM 4670 HB3 GLU A 326 165.270 186.518 228.876 1.00 37.80 H +ATOM 4671 HG2 GLU A 326 163.632 187.902 228.064 1.00 29.62 H +ATOM 4672 HG3 GLU A 326 164.508 187.416 226.832 1.00 29.62 H +ATOM 4673 N GLN A 327 167.337 185.683 227.128 1.00 21.58 N +ATOM 4674 CA GLN A 327 168.404 186.145 226.253 1.00 27.23 C +ATOM 4675 C GLN A 327 168.915 185.017 225.358 1.00 31.03 C +ATOM 4676 O GLN A 327 169.282 185.253 224.208 1.00 28.63 O +ATOM 4677 CB GLN A 327 169.557 186.737 227.068 1.00 29.88 C +ATOM 4678 CG GLN A 327 170.677 187.289 226.205 1.00 26.96 C +ATOM 4679 CD GLN A 327 171.565 188.270 226.939 1.00 24.41 C +ATOM 4680 OE1 GLN A 327 171.556 188.339 228.166 1.00 35.27 O +ATOM 4681 NE2 GLN A 327 172.335 189.043 226.186 1.00 26.32 N +ATOM 4682 H GLN A 327 167.546 185.661 227.962 1.00 25.90 H +ATOM 4683 HA GLN A 327 168.057 186.846 225.679 1.00 32.68 H +ATOM 4684 HB2 GLN A 327 169.216 187.461 227.615 1.00 35.86 H +ATOM 4685 HB3 GLN A 327 169.930 186.043 227.634 1.00 35.86 H +ATOM 4686 HG2 GLN A 327 171.233 186.554 225.901 1.00 32.36 H +ATOM 4687 HG3 GLN A 327 170.291 187.749 225.443 1.00 32.36 H +ATOM 4688 HE21 GLN A 327 172.311 188.969 225.330 1.00 31.58 H +ATOM 4689 HE22 GLN A 327 172.858 189.617 226.554 1.00 31.58 H +ATOM 4690 N LEU A 328 168.939 183.798 225.886 1.00 29.72 N +ATOM 4691 CA LEU A 328 169.344 182.636 225.100 1.00 31.20 C +ATOM 4692 C LEU A 328 168.385 182.422 223.931 1.00 28.37 C +ATOM 4693 O LEU A 328 168.810 182.125 222.815 1.00 23.90 O +ATOM 4694 CB LEU A 328 169.398 181.376 225.971 1.00 33.06 C +ATOM 4695 CG LEU A 328 170.630 181.183 226.861 1.00 35.26 C +ATOM 4696 CD1 LEU A 328 170.369 180.103 227.898 1.00 36.82 C +ATOM 4697 CD2 LEU A 328 171.857 180.829 226.037 1.00 31.93 C +ATOM 4698 H LEU A 328 168.725 183.616 226.699 1.00 35.66 H +ATOM 4699 HA LEU A 328 170.230 182.791 224.739 1.00 37.44 H +ATOM 4700 HB2 LEU A 328 168.624 181.382 226.555 1.00 39.67 H +ATOM 4701 HB3 LEU A 328 169.348 180.604 225.385 1.00 39.67 H +ATOM 4702 HG LEU A 328 170.813 182.011 227.331 1.00 42.31 H +ATOM 4703 HD11 LEU A 328 171.160 179.998 228.449 1.00 44.19 H +ATOM 4704 HD12 LEU A 328 169.616 180.369 228.447 1.00 44.19 H +ATOM 4705 HD13 LEU A 328 170.170 179.270 227.442 1.00 44.19 H +ATOM 4706 HD21 LEU A 328 172.614 180.715 226.632 1.00 38.32 H +ATOM 4707 HD22 LEU A 328 171.686 180.004 225.556 1.00 38.32 H +ATOM 4708 HD23 LEU A 328 172.033 181.548 225.410 1.00 38.32 H +ATOM 4709 N PHE A 329 167.091 182.574 224.192 1.00 27.07 N +ATOM 4710 CA PHE A 329 166.085 182.396 223.153 1.00 21.67 C +ATOM 4711 C PHE A 329 166.161 183.488 222.088 1.00 33.28 C +ATOM 4712 O PHE A 329 166.136 183.198 220.891 1.00 22.94 O +ATOM 4713 CB PHE A 329 164.677 182.378 223.747 1.00 22.72 C +ATOM 4714 CG PHE A 329 163.601 182.564 222.720 1.00 25.51 C +ATOM 4715 CD1 PHE A 329 163.161 181.494 221.960 1.00 21.72 C +ATOM 4716 CD2 PHE A 329 163.051 183.814 222.489 1.00 24.16 C +ATOM 4717 CE1 PHE A 329 162.182 181.666 221.002 1.00 30.21 C +ATOM 4718 CE2 PHE A 329 162.074 183.991 221.531 1.00 22.09 C +ATOM 4719 CZ PHE A 329 161.638 182.919 220.787 1.00 26.49 C +ATOM 4720 H PHE A 329 166.769 182.779 224.963 1.00 32.49 H +ATOM 4721 HA PHE A 329 166.235 181.543 222.716 1.00 26.00 H +ATOM 4722 HB2 PHE A 329 164.530 181.524 224.183 1.00 27.26 H +ATOM 4723 HB3 PHE A 329 164.599 183.097 224.393 1.00 27.26 H +ATOM 4724 HD1 PHE A 329 163.525 180.650 222.100 1.00 26.06 H +ATOM 4725 HD2 PHE A 329 163.343 184.542 222.988 1.00 28.99 H +ATOM 4726 HE1 PHE A 329 161.889 180.939 220.501 1.00 36.25 H +ATOM 4727 HE2 PHE A 329 161.708 184.835 221.390 1.00 26.51 H +ATOM 4728 HZ PHE A 329 160.977 183.036 220.144 1.00 31.79 H +ATOM 4729 N GLN A 330 166.235 184.740 222.528 1.00 27.72 N +ATOM 4730 CA GLN A 330 166.236 185.869 221.605 1.00 27.26 C +ATOM 4731 C GLN A 330 167.479 185.845 220.718 1.00 27.58 C +ATOM 4732 O GLN A 330 167.389 186.037 219.507 1.00 22.18 O +ATOM 4733 CB GLN A 330 166.158 187.196 222.366 1.00 19.87 C +ATOM 4734 CG GLN A 330 164.874 187.400 223.168 1.00 23.51 C +ATOM 4735 CD GLN A 330 163.634 187.556 222.304 1.00 27.22 C +ATOM 4736 OE1 GLN A 330 163.719 187.775 221.098 1.00 29.07 O +ATOM 4737 NE2 GLN A 330 162.470 187.444 222.927 1.00 27.08 N +ATOM 4738 H GLN A 330 166.286 184.963 223.357 1.00 33.26 H +ATOM 4739 HA GLN A 330 165.457 185.807 221.030 1.00 32.71 H +ATOM 4740 HB2 GLN A 330 166.902 187.241 222.987 1.00 23.84 H +ATOM 4741 HB3 GLN A 330 166.223 187.923 221.727 1.00 23.84 H +ATOM 4742 HG2 GLN A 330 164.740 186.632 223.745 1.00 28.21 H +ATOM 4743 HG3 GLN A 330 164.965 188.203 223.706 1.00 28.21 H +ATOM 4744 HE21 GLN A 330 162.448 187.291 223.773 1.00 32.49 H +ATOM 4745 HE22 GLN A 330 161.736 187.523 222.485 1.00 32.49 H +ATOM 4746 N THR A 331 168.637 185.598 221.319 1.00 26.60 N +ATOM 4747 CA THR A 331 169.887 185.611 220.569 1.00 20.20 C +ATOM 4748 C THR A 331 169.913 184.464 219.563 1.00 23.31 C +ATOM 4749 O THR A 331 170.453 184.607 218.470 1.00 25.31 O +ATOM 4750 CB THR A 331 171.107 185.520 221.503 1.00 24.22 C +ATOM 4751 OG1 THR A 331 171.055 186.585 222.458 1.00 22.63 O +ATOM 4752 CG2 THR A 331 172.406 185.628 220.711 1.00 24.76 C +ATOM 4753 H THR A 331 168.727 185.422 222.156 1.00 31.92 H +ATOM 4754 HA THR A 331 169.949 186.444 220.076 1.00 24.23 H +ATOM 4755 HB THR A 331 171.098 184.668 221.966 1.00 29.06 H +ATOM 4756 HG1 THR A 331 170.352 186.528 222.914 1.00 27.16 H +ATOM 4757 HG21 THR A 331 173.165 185.569 221.312 1.00 29.72 H +ATOM 4758 HG22 THR A 331 172.460 184.909 220.063 1.00 29.72 H +ATOM 4759 HG23 THR A 331 172.439 186.477 220.244 1.00 29.72 H +ATOM 4760 N SER A 332 169.312 183.333 219.924 1.00 24.89 N +ATOM 4761 CA SER A 332 169.213 182.200 219.010 1.00 23.71 C +ATOM 4762 C SER A 332 168.340 182.542 217.811 1.00 25.48 C +ATOM 4763 O SER A 332 168.668 182.195 216.678 1.00 25.17 O +ATOM 4764 CB SER A 332 168.652 180.971 219.723 1.00 24.73 C +ATOM 4765 OG SER A 332 169.562 180.482 220.689 1.00 29.34 O +ATOM 4766 H SER A 332 168.954 183.197 220.693 1.00 29.87 H +ATOM 4767 HA SER A 332 170.099 181.979 218.683 1.00 28.45 H +ATOM 4768 HB2 SER A 332 167.823 181.214 220.165 1.00 29.67 H +ATOM 4769 HB3 SER A 332 168.485 180.275 219.068 1.00 29.67 H +ATOM 4770 HG SER A 332 169.715 181.075 221.265 1.00 35.21 H +ATOM 4771 N ARG A 333 167.226 183.221 218.066 1.00 27.51 N +ATOM 4772 CA ARG A 333 166.315 183.620 217.004 1.00 21.97 C +ATOM 4773 C ARG A 333 167.012 184.529 215.999 1.00 21.65 C +ATOM 4774 O ARG A 333 166.841 184.374 214.795 1.00 23.28 O +ATOM 4775 CB ARG A 333 165.085 184.321 217.579 1.00 30.18 C +ATOM 4776 CG ARG A 333 164.157 184.892 216.520 1.00 26.41 C +ATOM 4777 CD ARG A 333 162.849 185.359 217.111 1.00 20.21 C +ATOM 4778 NE ARG A 333 161.850 185.593 216.077 1.00 16.71 N +ATOM 4779 CZ ARG A 333 160.563 185.815 216.316 1.00 21.84 C +ATOM 4780 NH1 ARG A 333 160.105 185.836 217.562 1.00 21.47 N +ATOM 4781 NH2 ARG A 333 159.730 186.014 215.306 1.00 23.41 N +ATOM 4782 H ARG A 333 166.975 183.463 218.852 1.00 33.01 H +ATOM 4783 HA ARG A 333 166.014 182.827 216.532 1.00 26.36 H +ATOM 4784 HB2 ARG A 333 164.578 183.683 218.105 1.00 36.22 H +ATOM 4785 HB3 ARG A 333 165.377 185.054 218.144 1.00 36.22 H +ATOM 4786 HG2 ARG A 333 164.586 185.651 216.096 1.00 31.69 H +ATOM 4787 HG3 ARG A 333 163.964 184.206 215.862 1.00 31.69 H +ATOM 4788 HD2 ARG A 333 162.509 184.680 217.714 1.00 24.25 H +ATOM 4789 HD3 ARG A 333 162.993 186.191 217.589 1.00 24.25 H +ATOM 4790 HE ARG A 333 162.111 185.587 215.257 1.00 20.05 H +ATOM 4791 HH11 ARG A 333 160.643 185.706 218.220 1.00 25.77 H +ATOM 4792 HH12 ARG A 333 159.270 185.980 217.711 1.00 25.77 H +ATOM 4793 HH21 ARG A 333 160.024 186.001 214.498 1.00 28.09 H +ATOM 4794 HH22 ARG A 333 158.897 186.159 215.458 1.00 28.09 H +ATOM 4795 N LEU A 334 167.799 185.473 216.500 1.00 24.56 N +ATOM 4796 CA LEU A 334 168.541 186.381 215.635 1.00 21.08 C +ATOM 4797 C LEU A 334 169.594 185.641 214.816 1.00 26.41 C +ATOM 4798 O LEU A 334 169.843 185.985 213.661 1.00 30.45 O +ATOM 4799 CB LEU A 334 169.201 187.483 216.462 1.00 24.83 C +ATOM 4800 CG LEU A 334 168.267 188.478 217.162 1.00 25.50 C +ATOM 4801 CD1 LEU A 334 169.083 189.525 217.897 1.00 25.04 C +ATOM 4802 CD2 LEU A 334 167.311 189.143 216.180 1.00 25.75 C +ATOM 4803 H LEU A 334 167.920 185.609 217.340 1.00 29.47 H +ATOM 4804 HA LEU A 334 167.923 186.801 215.017 1.00 25.30 H +ATOM 4805 HB2 LEU A 334 169.740 187.063 217.150 1.00 29.80 H +ATOM 4806 HB3 LEU A 334 169.777 187.997 215.875 1.00 29.80 H +ATOM 4807 HG LEU A 334 167.735 188.001 217.818 1.00 30.59 H +ATOM 4808 HD11 LEU A 334 168.479 190.146 218.334 1.00 30.05 H +ATOM 4809 HD12 LEU A 334 169.640 189.084 218.557 1.00 30.05 H +ATOM 4810 HD13 LEU A 334 169.638 189.998 217.257 1.00 30.05 H +ATOM 4811 HD21 LEU A 334 166.741 189.761 216.663 1.00 30.90 H +ATOM 4812 HD22 LEU A 334 167.827 189.621 215.512 1.00 30.90 H +ATOM 4813 HD23 LEU A 334 166.771 188.459 215.754 1.00 30.90 H +ATOM 4814 N ILE A 335 170.210 184.627 215.413 1.00 24.31 N +ATOM 4815 CA ILE A 335 171.191 183.817 214.708 1.00 20.24 C +ATOM 4816 C ILE A 335 170.497 183.017 213.607 1.00 21.19 C +ATOM 4817 O ILE A 335 170.985 182.950 212.481 1.00 20.83 O +ATOM 4818 CB ILE A 335 171.949 182.881 215.683 1.00 24.01 C +ATOM 4819 CG1 ILE A 335 172.944 183.701 216.511 1.00 24.93 C +ATOM 4820 CG2 ILE A 335 172.699 181.775 214.929 1.00 25.24 C +ATOM 4821 CD1 ILE A 335 173.609 182.936 217.639 1.00 24.47 C +ATOM 4822 H ILE A 335 170.076 184.388 216.229 1.00 29.18 H +ATOM 4823 HA ILE A 335 171.840 184.403 214.289 1.00 24.28 H +ATOM 4824 HB ILE A 335 171.308 182.470 216.283 1.00 28.81 H +ATOM 4825 HG12 ILE A 335 173.644 184.024 215.922 1.00 29.92 H +ATOM 4826 HG13 ILE A 335 172.474 184.453 216.903 1.00 29.92 H +ATOM 4827 HG21 ILE A 335 173.159 181.212 215.571 1.00 30.28 H +ATOM 4828 HG22 ILE A 335 172.059 181.247 214.425 1.00 30.28 H +ATOM 4829 HG23 ILE A 335 173.340 182.182 214.325 1.00 30.28 H +ATOM 4830 HD11 ILE A 335 174.218 183.530 218.106 1.00 29.36 H +ATOM 4831 HD12 ILE A 335 172.926 182.616 218.249 1.00 29.36 H +ATOM 4832 HD13 ILE A 335 174.098 182.186 217.266 1.00 29.36 H +ATOM 4833 N LEU A 336 169.346 182.433 213.924 1.00 23.93 N +ATOM 4834 CA LEU A 336 168.608 181.635 212.951 1.00 24.04 C +ATOM 4835 C LEU A 336 168.063 182.492 211.810 1.00 24.90 C +ATOM 4836 O LEU A 336 167.910 182.007 210.692 1.00 26.11 O +ATOM 4837 CB LEU A 336 167.463 180.873 213.628 1.00 25.90 C +ATOM 4838 CG LEU A 336 167.758 179.394 213.891 1.00 22.99 C +ATOM 4839 CD1 LEU A 336 168.805 179.243 214.982 1.00 22.46 C +ATOM 4840 CD2 LEU A 336 166.492 178.631 214.241 1.00 21.37 C +ATOM 4841 H LEU A 336 168.971 182.483 214.696 1.00 28.72 H +ATOM 4842 HA LEU A 336 169.211 180.980 212.566 1.00 28.85 H +ATOM 4843 HB2 LEU A 336 167.273 181.291 214.482 1.00 31.08 H +ATOM 4844 HB3 LEU A 336 166.679 180.920 213.059 1.00 31.08 H +ATOM 4845 HG LEU A 336 168.121 179.003 213.081 1.00 27.59 H +ATOM 4846 HD11 LEU A 336 168.973 178.299 215.128 1.00 26.95 H +ATOM 4847 HD12 LEU A 336 169.621 179.685 214.699 1.00 26.95 H +ATOM 4848 HD13 LEU A 336 168.472 179.650 215.796 1.00 26.95 H +ATOM 4849 HD21 LEU A 336 166.718 177.701 214.400 1.00 25.64 H +ATOM 4850 HD22 LEU A 336 166.102 179.018 215.040 1.00 25.64 H +ATOM 4851 HD23 LEU A 336 165.868 178.699 213.501 1.00 25.64 H +ATOM 4852 N ILE A 337 167.764 183.758 212.091 1.00 22.74 N +ATOM 4853 CA ILE A 337 167.371 184.689 211.041 1.00 21.44 C +ATOM 4854 C ILE A 337 168.576 184.930 210.134 1.00 20.76 C +ATOM 4855 O ILE A 337 168.447 184.977 208.911 1.00 22.38 O +ATOM 4856 CB ILE A 337 166.845 186.026 211.618 1.00 24.65 C +ATOM 4857 CG1 ILE A 337 165.465 185.818 212.247 1.00 23.27 C +ATOM 4858 CG2 ILE A 337 166.749 187.104 210.522 1.00 21.82 C +ATOM 4859 CD1 ILE A 337 164.944 187.010 213.019 1.00 19.02 C +ATOM 4860 H ILE A 337 167.780 184.100 212.880 1.00 27.29 H +ATOM 4861 HA ILE A 337 166.665 184.290 210.508 1.00 25.72 H +ATOM 4862 HB ILE A 337 167.458 186.332 212.304 1.00 29.57 H +ATOM 4863 HG12 ILE A 337 164.828 185.623 211.542 1.00 27.92 H +ATOM 4864 HG13 ILE A 337 165.513 185.068 212.860 1.00 27.92 H +ATOM 4865 HG21 ILE A 337 166.418 187.926 210.916 1.00 26.19 H +ATOM 4866 HG22 ILE A 337 167.631 187.250 210.145 1.00 26.19 H +ATOM 4867 HG23 ILE A 337 166.140 186.799 209.831 1.00 26.19 H +ATOM 4868 HD11 ILE A 337 164.071 186.794 213.382 1.00 22.82 H +ATOM 4869 HD12 ILE A 337 165.561 187.213 213.740 1.00 22.82 H +ATOM 4870 HD13 ILE A 337 164.875 187.769 212.419 1.00 22.82 H +ATOM 4871 N GLY A 338 169.747 185.072 210.744 1.00 25.57 N +ATOM 4872 CA GLY A 338 170.981 185.216 209.995 1.00 30.70 C +ATOM 4873 C GLY A 338 171.258 184.007 209.121 1.00 28.02 C +ATOM 4874 O GLY A 338 171.600 184.153 207.949 1.00 23.59 O +ATOM 4875 H GLY A 338 169.851 185.089 211.597 1.00 30.69 H +ATOM 4876 HA2 GLY A 338 170.928 186.001 209.428 1.00 36.84 H +ATOM 4877 HA3 GLY A 338 171.723 185.328 210.610 1.00 36.84 H +ATOM 4878 N GLU A 339 171.110 182.813 209.690 1.00 26.48 N +ATOM 4879 CA GLU A 339 171.299 181.573 208.941 1.00 24.36 C +ATOM 4880 C GLU A 339 170.359 181.485 207.747 1.00 27.37 C +ATOM 4881 O GLU A 339 170.756 181.051 206.668 1.00 25.90 O +ATOM 4882 CB GLU A 339 171.076 180.352 209.833 1.00 23.19 C +ATOM 4883 CG GLU A 339 172.098 180.170 210.937 1.00 29.90 C +ATOM 4884 CD GLU A 339 171.892 178.880 211.699 1.00 31.17 C +ATOM 4885 OE1 GLU A 339 171.518 177.871 211.070 1.00 32.17 O +ATOM 4886 OE2 GLU A 339 172.094 178.876 212.929 1.00 38.36 O +ATOM 4887 H GLU A 339 170.900 182.693 210.515 1.00 31.78 H +ATOM 4888 HA GLU A 339 172.209 181.540 208.609 1.00 29.23 H +ATOM 4889 HB2 GLU A 339 170.205 180.430 210.251 1.00 27.82 H +ATOM 4890 HB3 GLU A 339 171.100 179.557 209.278 1.00 27.82 H +ATOM 4891 HG2 GLU A 339 172.987 180.152 210.548 1.00 35.88 H +ATOM 4892 HG3 GLU A 339 172.023 180.906 211.564 1.00 35.88 H +ATOM 4893 N THR A 340 169.109 181.887 207.954 1.00 26.28 N +ATOM 4894 CA THR A 340 168.089 181.787 206.918 1.00 21.61 C +ATOM 4895 C THR A 340 168.451 182.659 205.726 1.00 19.81 C +ATOM 4896 O THR A 340 168.422 182.201 204.591 1.00 25.25 O +ATOM 4897 CB THR A 340 166.692 182.192 207.452 1.00 26.47 C +ATOM 4898 OG1 THR A 340 166.329 181.343 208.546 1.00 24.02 O +ATOM 4899 CG2 THR A 340 165.634 182.072 206.363 1.00 21.55 C +ATOM 4900 H THR A 340 168.826 182.225 208.693 1.00 31.54 H +ATOM 4901 HA THR A 340 168.038 180.867 206.613 1.00 25.94 H +ATOM 4902 HB THR A 340 166.718 183.114 207.754 1.00 31.76 H +ATOM 4903 HG1 THR A 340 166.892 181.416 209.166 1.00 28.83 H +ATOM 4904 HG21 THR A 340 164.767 182.329 206.714 1.00 25.86 H +ATOM 4905 HG22 THR A 340 165.857 182.652 205.618 1.00 25.86 H +ATOM 4906 HG23 THR A 340 165.587 181.156 206.047 1.00 25.86 H +ATOM 4907 N ILE A 341 168.798 183.915 205.988 1.00 30.41 N +ATOM 4908 CA ILE A 341 169.150 184.848 204.923 1.00 37.66 C +ATOM 4909 C ILE A 341 170.416 184.385 204.199 1.00 36.20 C +ATOM 4910 O ILE A 341 170.498 184.454 202.973 1.00 32.60 O +ATOM 4911 CB ILE A 341 169.350 186.276 205.471 1.00 27.46 C +ATOM 4912 CG1 ILE A 341 168.054 186.774 206.120 1.00 28.06 C +ATOM 4913 CG2 ILE A 341 169.772 187.229 204.358 1.00 32.17 C +ATOM 4914 CD1 ILE A 341 168.206 188.053 206.916 1.00 31.86 C +ATOM 4915 H ILE A 341 168.837 184.253 206.777 1.00 36.49 H +ATOM 4916 HA ILE A 341 168.428 184.875 204.276 1.00 45.19 H +ATOM 4917 HB ILE A 341 170.048 186.256 206.145 1.00 32.95 H +ATOM 4918 HG12 ILE A 341 167.400 186.938 205.422 1.00 33.67 H +ATOM 4919 HG13 ILE A 341 167.725 186.089 206.722 1.00 33.67 H +ATOM 4920 HG21 ILE A 341 169.890 188.117 204.730 1.00 38.60 H +ATOM 4921 HG22 ILE A 341 170.606 186.917 203.974 1.00 38.60 H +ATOM 4922 HG23 ILE A 341 169.080 187.245 203.678 1.00 38.60 H +ATOM 4923 HD11 ILE A 341 167.344 188.296 207.290 1.00 38.23 H +ATOM 4924 HD12 ILE A 341 168.847 187.906 207.629 1.00 38.23 H +ATOM 4925 HD13 ILE A 341 168.522 188.756 206.327 1.00 38.23 H +ATOM 4926 N LYS A 342 171.394 183.915 204.965 1.00 31.74 N +ATOM 4927 CA LYS A 342 172.621 183.354 204.409 1.00 35.77 C +ATOM 4928 C LYS A 342 172.323 182.217 203.435 1.00 37.59 C +ATOM 4929 O LYS A 342 172.805 182.209 202.303 1.00 28.73 O +ATOM 4930 CB LYS A 342 173.522 182.848 205.537 1.00 35.70 C +ATOM 4931 CG LYS A 342 174.771 182.091 205.087 1.00 38.11 C +ATOM 4932 CD LYS A 342 175.813 183.023 204.508 1.00 32.13 C +ATOM 4933 CE LYS A 342 177.127 182.296 204.294 1.00 37.60 C +ATOM 4934 NZ LYS A 342 178.222 183.215 203.872 1.00 36.42 N +ATOM 4935 H LYS A 342 171.371 183.911 205.825 1.00 38.09 H +ATOM 4936 HA LYS A 342 173.098 184.047 203.927 1.00 42.93 H +ATOM 4937 HB2 LYS A 342 173.816 183.610 206.061 1.00 42.84 H +ATOM 4938 HB3 LYS A 342 173.005 182.249 206.098 1.00 42.84 H +ATOM 4939 HG2 LYS A 342 175.161 181.637 205.850 1.00 45.73 H +ATOM 4940 HG3 LYS A 342 174.525 181.449 204.403 1.00 45.73 H +ATOM 4941 HD2 LYS A 342 175.506 183.358 203.651 1.00 38.56 H +ATOM 4942 HD3 LYS A 342 175.967 183.758 205.123 1.00 38.56 H +ATOM 4943 HE2 LYS A 342 177.394 181.872 205.125 1.00 45.11 H +ATOM 4944 HE3 LYS A 342 177.011 181.628 203.601 1.00 45.11 H +ATOM 4945 HZ1 LYS A 342 178.976 182.757 203.756 1.00 43.70 H +ATOM 4946 HZ2 LYS A 342 178.005 183.615 203.107 1.00 43.70 H +ATOM 4947 HZ3 LYS A 342 178.354 183.837 204.495 1.00 43.70 H +ATOM 4948 N ILE A 343 171.527 181.257 203.893 1.00 31.71 N +ATOM 4949 CA ILE A 343 171.210 180.076 203.102 1.00 35.49 C +ATOM 4950 C ILE A 343 170.378 180.429 201.875 1.00 29.10 C +ATOM 4951 O ILE A 343 170.618 179.905 200.789 1.00 36.94 O +ATOM 4952 CB ILE A 343 170.474 179.023 203.964 1.00 28.52 C +ATOM 4953 CG1 ILE A 343 171.488 178.321 204.871 1.00 29.82 C +ATOM 4954 CG2 ILE A 343 169.757 177.987 203.094 1.00 32.40 C +ATOM 4955 CD1 ILE A 343 170.880 177.458 205.952 1.00 29.15 C +ATOM 4956 H ILE A 343 171.154 181.267 204.668 1.00 38.05 H +ATOM 4957 HA ILE A 343 172.038 179.677 202.792 1.00 42.59 H +ATOM 4958 HB ILE A 343 169.819 179.475 204.518 1.00 34.22 H +ATOM 4959 HG12 ILE A 343 172.051 177.751 204.324 1.00 35.79 H +ATOM 4960 HG13 ILE A 343 172.033 178.996 205.306 1.00 35.79 H +ATOM 4961 HG21 ILE A 343 169.309 177.347 203.669 1.00 38.88 H +ATOM 4962 HG22 ILE A 343 169.107 178.441 202.535 1.00 38.88 H +ATOM 4963 HG23 ILE A 343 170.411 177.534 202.539 1.00 38.88 H +ATOM 4964 HD11 ILE A 343 171.593 177.057 206.473 1.00 34.98 H +ATOM 4965 HD12 ILE A 343 170.325 178.012 206.523 1.00 34.98 H +ATOM 4966 HD13 ILE A 343 170.343 176.766 205.538 1.00 34.98 H +ATOM 4967 N VAL A 344 169.405 181.316 202.040 1.00 30.55 N +ATOM 4968 CA VAL A 344 168.547 181.701 200.923 1.00 40.96 C +ATOM 4969 C VAL A 344 169.372 182.333 199.800 1.00 30.45 C +ATOM 4970 O VAL A 344 169.199 182.003 198.635 1.00 37.31 O +ATOM 4971 CB VAL A 344 167.431 182.671 201.374 1.00 24.72 C +ATOM 4972 CG1 VAL A 344 166.759 183.350 200.173 1.00 21.66 C +ATOM 4973 CG2 VAL A 344 166.398 181.921 202.195 1.00 30.13 C +ATOM 4974 H VAL A 344 169.219 181.708 202.783 1.00 36.65 H +ATOM 4975 HA VAL A 344 168.122 180.905 200.567 1.00 49.15 H +ATOM 4976 HB VAL A 344 167.817 183.363 201.934 1.00 29.66 H +ATOM 4977 HG11 VAL A 344 166.067 183.948 200.496 1.00 25.99 H +ATOM 4978 HG12 VAL A 344 167.427 183.851 199.680 1.00 25.99 H +ATOM 4979 HG13 VAL A 344 166.368 182.668 199.604 1.00 25.99 H +ATOM 4980 HG21 VAL A 344 165.704 182.540 202.471 1.00 36.15 H +ATOM 4981 HG22 VAL A 344 166.015 181.215 201.651 1.00 36.15 H +ATOM 4982 HG23 VAL A 344 166.831 181.540 202.974 1.00 36.15 H +ATOM 4983 N ILE A 345 170.279 183.233 200.151 1.00 33.48 N +ATOM 4984 CA ILE A 345 171.070 183.931 199.146 1.00 37.85 C +ATOM 4985 C ILE A 345 172.107 183.022 198.482 1.00 33.72 C +ATOM 4986 O ILE A 345 172.214 182.994 197.256 1.00 28.20 O +ATOM 4987 CB ILE A 345 171.778 185.153 199.761 1.00 34.13 C +ATOM 4988 CG1 ILE A 345 170.757 186.269 199.997 1.00 32.81 C +ATOM 4989 CG2 ILE A 345 172.914 185.652 198.855 1.00 35.03 C +ATOM 4990 CD1 ILE A 345 171.291 187.465 200.762 1.00 30.05 C +ATOM 4991 H ILE A 345 170.456 183.459 200.962 1.00 40.17 H +ATOM 4992 HA ILE A 345 170.474 184.254 198.452 1.00 45.41 H +ATOM 4993 HB ILE A 345 172.156 184.893 200.616 1.00 40.95 H +ATOM 4994 HG12 ILE A 345 170.442 186.588 199.137 1.00 39.37 H +ATOM 4995 HG13 ILE A 345 170.013 185.906 200.502 1.00 39.37 H +ATOM 4996 HG21 ILE A 345 173.336 186.419 199.272 1.00 42.04 H +ATOM 4997 HG22 ILE A 345 173.562 184.939 198.740 1.00 42.04 H +ATOM 4998 HG23 ILE A 345 172.543 185.905 197.995 1.00 42.04 H +ATOM 4999 HD11 ILE A 345 170.580 188.117 200.865 1.00 36.06 H +ATOM 5000 HD12 ILE A 345 171.598 187.170 201.634 1.00 36.06 H +ATOM 5001 HD13 ILE A 345 172.028 187.853 200.266 1.00 36.06 H +ATOM 5002 N GLU A 346 172.859 182.279 199.287 1.00 30.09 N +ATOM 5003 CA GLU A 346 174.057 181.605 198.792 1.00 33.22 C +ATOM 5004 C GLU A 346 173.828 180.153 198.369 1.00 38.14 C +ATOM 5005 O GLU A 346 174.705 179.542 197.757 1.00 42.91 O +ATOM 5006 CB GLU A 346 175.159 181.667 199.852 1.00 23.29 C +ATOM 5007 CG GLU A 346 175.619 183.091 200.147 1.00 26.58 C +ATOM 5008 CD GLU A 346 176.926 183.159 200.920 1.00 35.47 C +ATOM 5009 OE1 GLU A 346 177.575 182.108 201.109 1.00 35.34 O +ATOM 5010 OE2 GLU A 346 177.310 184.272 201.340 1.00 29.67 O +ATOM 5011 H GLU A 346 172.699 182.149 200.121 1.00 36.11 H +ATOM 5012 HA GLU A 346 174.377 182.085 198.012 1.00 39.87 H +ATOM 5013 HB2 GLU A 346 174.825 181.284 200.677 1.00 27.95 H +ATOM 5014 HB3 GLU A 346 175.927 181.164 199.539 1.00 27.95 H +ATOM 5015 HG2 GLU A 346 175.746 183.560 199.307 1.00 31.89 H +ATOM 5016 HG3 GLU A 346 174.938 183.538 200.674 1.00 31.89 H +ATOM 5017 N ASP A 347 172.657 179.604 198.681 1.00 38.39 N +ATOM 5018 CA ASP A 347 172.292 178.257 198.233 1.00 41.14 C +ATOM 5019 C ASP A 347 171.025 178.268 197.387 1.00 38.59 C +ATOM 5020 O ASP A 347 171.015 177.761 196.267 1.00 45.16 O +ATOM 5021 CB ASP A 347 172.099 177.320 199.427 1.00 34.91 C +ATOM 5022 CG ASP A 347 173.392 177.032 200.158 1.00 38.64 C +ATOM 5023 OD1 ASP A 347 174.403 176.722 199.493 1.00 43.37 O +ATOM 5024 OD2 ASP A 347 173.396 177.121 201.401 1.00 40.02 O +ATOM 5025 H ASP A 347 172.051 179.991 199.154 1.00 46.06 H +ATOM 5026 HA ASP A 347 173.011 177.901 197.689 1.00 49.37 H +ATOM 5027 HB2 ASP A 347 171.484 177.731 200.056 1.00 41.89 H +ATOM 5028 HB3 ASP A 347 171.737 176.477 199.113 1.00 41.89 H +ATOM 5029 N TYR A 348 169.960 178.853 197.928 1.00 41.67 N +ATOM 5030 CA TYR A 348 168.647 178.828 197.288 1.00 39.92 C +ATOM 5031 C TYR A 348 168.606 179.701 196.035 1.00 35.67 C +ATOM 5032 O TYR A 348 168.340 179.205 194.945 1.00 29.94 O +ATOM 5033 CB TYR A 348 167.578 179.269 198.292 1.00 41.25 C +ATOM 5034 CG TYR A 348 166.175 179.391 197.750 1.00 35.51 C +ATOM 5035 CD1 TYR A 348 165.367 178.276 197.607 1.00 32.48 C +ATOM 5036 CD2 TYR A 348 165.645 180.630 197.416 1.00 32.96 C +ATOM 5037 CE1 TYR A 348 164.078 178.387 197.130 1.00 28.08 C +ATOM 5038 CE2 TYR A 348 164.356 180.749 196.937 1.00 28.31 C +ATOM 5039 CZ TYR A 348 163.578 179.621 196.798 1.00 28.99 C +ATOM 5040 OH TYR A 348 162.295 179.725 196.324 1.00 30.60 O +ATOM 5041 H TYR A 348 169.972 179.278 198.675 1.00 50.00 H +ATOM 5042 HA TYR A 348 168.446 177.917 197.022 1.00 47.91 H +ATOM 5043 HB2 TYR A 348 167.554 178.624 199.016 1.00 49.50 H +ATOM 5044 HB3 TYR A 348 167.829 180.138 198.643 1.00 49.50 H +ATOM 5045 HD1 TYR A 348 165.701 177.438 197.832 1.00 38.98 H +ATOM 5046 HD2 TYR A 348 166.170 181.392 197.511 1.00 39.55 H +ATOM 5047 HE1 TYR A 348 163.549 177.628 197.034 1.00 33.69 H +ATOM 5048 HE2 TYR A 348 164.016 181.585 196.711 1.00 33.97 H +ATOM 5049 HH TYR A 348 162.113 180.529 196.159 1.00 36.72 H +ATOM 5050 N VAL A 349 168.866 180.997 196.188 1.00 37.99 N +ATOM 5051 CA VAL A 349 168.910 181.897 195.039 1.00 41.24 C +ATOM 5052 C VAL A 349 170.053 181.499 194.106 1.00 41.19 C +ATOM 5053 O VAL A 349 169.924 181.575 192.884 1.00 34.96 O +ATOM 5054 CB VAL A 349 169.082 183.369 195.468 1.00 42.44 C +ATOM 5055 CG1 VAL A 349 169.210 184.283 194.243 1.00 43.80 C +ATOM 5056 CG2 VAL A 349 167.912 183.813 196.331 1.00 32.95 C +ATOM 5057 H VAL A 349 169.020 181.378 196.943 1.00 45.59 H +ATOM 5058 HA VAL A 349 168.078 181.823 194.546 1.00 49.49 H +ATOM 5059 HB VAL A 349 169.894 183.454 195.993 1.00 50.93 H +ATOM 5060 HG11 VAL A 349 169.317 185.199 194.542 1.00 52.56 H +ATOM 5061 HG12 VAL A 349 169.984 184.011 193.725 1.00 52.56 H +ATOM 5062 HG13 VAL A 349 168.407 184.202 193.704 1.00 52.56 H +ATOM 5063 HG21 VAL A 349 168.043 184.739 196.588 1.00 39.54 H +ATOM 5064 HG22 VAL A 349 167.092 183.722 195.821 1.00 39.54 H +ATOM 5065 HG23 VAL A 349 167.874 183.252 197.122 1.00 39.54 H +ATOM 5066 N GLN A 350 171.168 181.080 194.695 1.00 35.80 N +ATOM 5067 CA GLN A 350 172.332 180.638 193.937 1.00 40.57 C +ATOM 5068 C GLN A 350 171.951 179.555 192.933 1.00 40.30 C +ATOM 5069 O GLN A 350 172.278 179.649 191.751 1.00 42.16 O +ATOM 5070 CB GLN A 350 173.418 180.120 194.885 1.00 36.93 C +ATOM 5071 CG GLN A 350 174.719 179.724 194.201 1.00 40.69 C +ATOM 5072 CD GLN A 350 175.428 180.901 193.558 1.00 40.99 C +ATOM 5073 OE1 GLN A 350 175.867 181.826 194.239 1.00 40.71 O +ATOM 5074 NE2 GLN A 350 175.542 180.870 192.238 1.00 41.83 N +ATOM 5075 H GLN A 350 171.276 181.042 195.547 1.00 42.97 H +ATOM 5076 HA GLN A 350 172.696 181.391 193.445 1.00 48.69 H +ATOM 5077 HB2 GLN A 350 173.624 180.816 195.529 1.00 44.32 H +ATOM 5078 HB3 GLN A 350 173.078 179.338 195.347 1.00 44.32 H +ATOM 5079 HG2 GLN A 350 175.317 179.337 194.860 1.00 48.83 H +ATOM 5080 HG3 GLN A 350 174.526 179.074 193.507 1.00 48.83 H +ATOM 5081 HE21 GLN A 350 175.223 180.207 191.794 1.00 50.19 H +ATOM 5082 HE22 GLN A 350 175.936 181.514 191.825 1.00 50.19 H +ATOM 5083 N HIS A 351 171.258 178.528 193.412 1.00 32.59 N +ATOM 5084 CA HIS A 351 170.786 177.455 192.547 1.00 34.15 C +ATOM 5085 C HIS A 351 169.754 177.972 191.560 1.00 35.00 C +ATOM 5086 O HIS A 351 169.800 177.683 190.366 1.00 40.36 O +ATOM 5087 CB HIS A 351 170.165 176.327 193.369 1.00 39.87 C +ATOM 5088 CG HIS A 351 169.383 175.355 192.544 1.00 39.54 C +ATOM 5089 ND1 HIS A 351 169.980 174.374 191.785 1.00 41.60 N +ATOM 5090 CD2 HIS A 351 168.051 175.232 192.337 1.00 34.69 C +ATOM 5091 CE1 HIS A 351 169.050 173.679 191.156 1.00 42.02 C +ATOM 5092 NE2 HIS A 351 167.870 174.179 191.474 1.00 39.99 N +ATOM 5093 H HIS A 351 171.046 178.430 194.240 1.00 39.11 H +ATOM 5094 HA HIS A 351 171.534 177.093 192.047 1.00 40.99 H +ATOM 5095 HB2 HIS A 351 170.874 175.837 193.815 1.00 47.84 H +ATOM 5096 HB3 HIS A 351 169.565 176.711 194.027 1.00 47.84 H +ATOM 5097 HD2 HIS A 351 167.383 175.758 192.714 1.00 41.62 H +ATOM 5098 HE1 HIS A 351 169.200 172.960 190.586 1.00 50.42 H +ATOM 5099 HE2 HIS A 351 167.112 173.892 191.187 1.00 47.99 H +ATOM 5100 N LEU A 352 168.815 178.730 192.103 1.00 38.14 N +ATOM 5101 CA LEU A 352 167.689 179.277 191.367 1.00 35.58 C +ATOM 5102 C LEU A 352 168.134 180.101 190.160 1.00 36.82 C +ATOM 5103 O LEU A 352 167.600 179.951 189.060 1.00 29.76 O +ATOM 5104 CB LEU A 352 166.857 180.118 192.336 1.00 39.82 C +ATOM 5105 CG LEU A 352 165.548 180.777 191.934 1.00 46.03 C +ATOM 5106 CD1 LEU A 352 164.666 180.862 193.165 1.00 43.97 C +ATOM 5107 CD2 LEU A 352 165.803 182.158 191.380 1.00 48.99 C +ATOM 5108 H LEU A 352 168.810 178.951 192.934 1.00 45.77 H +ATOM 5109 HA LEU A 352 167.134 178.548 191.047 1.00 42.69 H +ATOM 5110 HB2 LEU A 352 166.646 179.548 193.092 1.00 47.78 H +ATOM 5111 HB3 LEU A 352 167.430 180.836 192.648 1.00 47.78 H +ATOM 5112 HG LEU A 352 165.100 180.242 191.259 1.00 55.24 H +ATOM 5113 HD11 LEU A 352 163.826 181.281 192.922 1.00 52.77 H +ATOM 5114 HD12 LEU A 352 164.505 179.966 193.500 1.00 52.77 H +ATOM 5115 HD13 LEU A 352 165.118 181.392 193.840 1.00 52.77 H +ATOM 5116 HD21 LEU A 352 164.956 182.559 191.130 1.00 58.79 H +ATOM 5117 HD22 LEU A 352 166.236 182.696 192.061 1.00 58.79 H +ATOM 5118 HD23 LEU A 352 166.377 182.084 190.602 1.00 58.79 H +ATOM 5119 N SER A 353 169.127 180.958 190.372 1.00 41.10 N +ATOM 5120 CA SER A 353 169.612 181.853 189.328 1.00 32.45 C +ATOM 5121 C SER A 353 170.326 181.107 188.208 1.00 35.57 C +ATOM 5122 O SER A 353 170.278 181.519 187.050 1.00 39.20 O +ATOM 5123 CB SER A 353 170.560 182.892 189.926 1.00 32.78 C +ATOM 5124 OG SER A 353 171.751 182.281 190.393 1.00 31.24 O +ATOM 5125 H SER A 353 169.540 181.042 191.121 1.00 49.31 H +ATOM 5126 HA SER A 353 168.858 182.323 188.941 1.00 38.94 H +ATOM 5127 HB2 SER A 353 170.786 183.543 189.244 1.00 39.34 H +ATOM 5128 HB3 SER A 353 170.118 183.330 190.670 1.00 39.34 H +ATOM 5129 HG SER A 353 171.570 181.714 190.985 1.00 37.49 H +ATOM 5130 N GLY A 354 170.997 180.016 188.562 1.00 36.47 N +ATOM 5131 CA GLY A 354 171.839 179.301 187.622 1.00 35.03 C +ATOM 5132 C GLY A 354 173.129 180.052 187.341 1.00 39.41 C +ATOM 5133 O GLY A 354 173.904 179.665 186.468 1.00 45.19 O +ATOM 5134 H GLY A 354 170.979 179.669 189.348 1.00 43.77 H +ATOM 5135 HA2 GLY A 354 172.061 178.428 187.982 1.00 42.03 H +ATOM 5136 HA3 GLY A 354 171.363 179.179 186.785 1.00 42.03 H +ATOM 5137 N TYR A 355 173.357 181.132 188.081 1.00 32.56 N +ATOM 5138 CA TYR A 355 174.535 181.968 187.882 1.00 37.05 C +ATOM 5139 C TYR A 355 175.812 181.223 188.257 1.00 40.60 C +ATOM 5140 O TYR A 355 175.831 180.438 189.204 1.00 40.51 O +ATOM 5141 CB TYR A 355 174.435 183.255 188.712 1.00 38.65 C +ATOM 5142 CG TYR A 355 173.343 184.222 188.294 1.00 37.84 C +ATOM 5143 CD1 TYR A 355 172.676 184.082 187.085 1.00 45.46 C +ATOM 5144 CD2 TYR A 355 172.989 185.287 189.113 1.00 33.34 C +ATOM 5145 CE1 TYR A 355 171.686 184.970 186.708 1.00 47.66 C +ATOM 5146 CE2 TYR A 355 172.001 186.177 188.744 1.00 30.40 C +ATOM 5147 CZ TYR A 355 171.353 186.015 187.542 1.00 38.32 C +ATOM 5148 OH TYR A 355 170.368 186.901 187.171 1.00 43.35 O +ATOM 5149 H TYR A 355 172.840 181.404 188.712 1.00 39.07 H +ATOM 5150 HA TYR A 355 174.594 182.215 186.946 1.00 44.46 H +ATOM 5151 HB2 TYR A 355 174.269 183.011 189.636 1.00 46.38 H +ATOM 5152 HB3 TYR A 355 175.280 183.726 188.648 1.00 46.38 H +ATOM 5153 HD1 TYR A 355 172.898 183.377 186.519 1.00 54.56 H +ATOM 5154 HD2 TYR A 355 173.424 185.401 189.927 1.00 40.01 H +ATOM 5155 HE1 TYR A 355 171.246 184.862 185.895 1.00 57.19 H +ATOM 5156 HE2 TYR A 355 171.775 186.884 189.305 1.00 36.48 H +ATOM 5157 HH TYR A 355 170.058 186.688 186.420 1.00 52.02 H +ATOM 5158 N HIS A 356 176.875 181.473 187.501 1.00 41.67 N +ATOM 5159 CA HIS A 356 178.194 180.951 187.834 1.00 42.47 C +ATOM 5160 C HIS A 356 178.851 181.853 188.871 1.00 35.44 C +ATOM 5161 O HIS A 356 179.671 181.404 189.669 1.00 35.17 O +ATOM 5162 CB HIS A 356 179.072 180.849 186.588 1.00 46.61 C +ATOM 5163 CG HIS A 356 178.654 179.769 185.640 1.00 45.85 C +ATOM 5164 ND1 HIS A 356 178.143 178.561 186.064 1.00 46.64 N +ATOM 5165 CD2 HIS A 356 178.669 179.717 184.288 1.00 47.55 C +ATOM 5166 CE1 HIS A 356 177.864 177.811 185.014 1.00 53.11 C +ATOM 5167 NE2 HIS A 356 178.173 178.489 183.924 1.00 63.70 N +ATOM 5168 H HIS A 356 176.858 181.948 186.784 1.00 50.00 H +ATOM 5169 HA HIS A 356 178.101 180.064 188.215 1.00 50.96 H +ATOM 5170 HB2 HIS A 356 179.036 181.692 186.110 1.00 55.94 H +ATOM 5171 HB3 HIS A 356 179.984 180.666 186.862 1.00 55.94 H +ATOM 5172 HD2 HIS A 356 178.962 180.387 183.713 1.00 57.06 H +ATOM 5173 HE1 HIS A 356 177.508 176.952 185.037 1.00 63.73 H +ATOM 5174 HE2 HIS A 356 178.080 178.207 183.116 1.00 76.44 H +ATOM 5175 N PHE A 357 178.486 183.131 188.845 1.00 39.90 N +ATOM 5176 CA PHE A 357 178.927 184.074 189.862 1.00 41.27 C +ATOM 5177 C PHE A 357 178.383 183.649 191.220 1.00 42.17 C +ATOM 5178 O PHE A 357 177.211 183.300 191.347 1.00 35.86 O +ATOM 5179 CB PHE A 357 178.471 185.493 189.522 1.00 33.58 C +ATOM 5180 CG PHE A 357 178.711 186.485 190.623 1.00 47.29 C +ATOM 5181 CD1 PHE A 357 179.989 186.938 190.899 1.00 43.84 C +ATOM 5182 CD2 PHE A 357 177.656 186.969 191.379 1.00 51.86 C +ATOM 5183 CE1 PHE A 357 180.211 187.850 191.910 1.00 54.47 C +ATOM 5184 CE2 PHE A 357 177.872 187.883 192.393 1.00 47.33 C +ATOM 5185 CZ PHE A 357 179.150 188.324 192.659 1.00 51.91 C +ATOM 5186 H PHE A 357 177.979 183.477 188.242 1.00 47.88 H +ATOM 5187 HA PHE A 357 179.896 184.068 189.906 1.00 49.53 H +ATOM 5188 HB2 PHE A 357 178.955 185.797 188.738 1.00 40.30 H +ATOM 5189 HB3 PHE A 357 177.519 185.480 189.336 1.00 40.30 H +ATOM 5190 HD1 PHE A 357 180.707 186.622 190.399 1.00 52.60 H +ATOM 5191 HD2 PHE A 357 176.791 186.674 191.204 1.00 62.24 H +ATOM 5192 HE1 PHE A 357 181.075 188.147 192.088 1.00 65.36 H +ATOM 5193 HE2 PHE A 357 177.157 188.200 192.895 1.00 56.79 H +ATOM 5194 HZ PHE A 357 179.298 188.939 193.340 1.00 62.29 H +ATOM 5195 N LYS A 358 179.248 183.678 192.227 1.00 41.96 N +ATOM 5196 CA LYS A 358 178.910 183.182 193.555 1.00 42.45 C +ATOM 5197 C LYS A 358 178.309 184.292 194.416 1.00 46.46 C +ATOM 5198 O LYS A 358 179.030 185.139 194.946 1.00 41.24 O +ATOM 5199 CB LYS A 358 180.158 182.596 194.220 1.00 36.80 C +ATOM 5200 CG LYS A 358 179.889 181.762 195.456 1.00 49.96 C +ATOM 5201 CD LYS A 358 181.183 181.172 195.996 1.00 60.71 C +ATOM 5202 CE LYS A 358 181.015 180.639 197.409 1.00 69.82 C +ATOM 5203 NZ LYS A 358 182.300 180.134 197.969 1.00 74.30 N +ATOM 5204 H LYS A 358 180.048 183.986 192.166 1.00 50.35 H +ATOM 5205 HA LYS A 358 178.252 182.474 193.472 1.00 50.94 H +ATOM 5206 HB2 LYS A 358 180.614 182.030 193.578 1.00 44.16 H +ATOM 5207 HB3 LYS A 358 180.741 183.327 194.481 1.00 44.16 H +ATOM 5208 HG2 LYS A 358 179.496 182.321 196.144 1.00 59.95 H +ATOM 5209 HG3 LYS A 358 179.291 181.033 195.229 1.00 59.95 H +ATOM 5210 HD2 LYS A 358 181.461 180.438 195.427 1.00 72.85 H +ATOM 5211 HD3 LYS A 358 181.866 181.861 196.012 1.00 72.85 H +ATOM 5212 HE2 LYS A 358 180.695 181.352 197.983 1.00 83.79 H +ATOM 5213 HE3 LYS A 358 180.380 179.906 197.400 1.00 83.79 H +ATOM 5214 HZ1 LYS A 358 182.173 179.828 198.795 1.00 89.15 H +ATOM 5215 HZ2 LYS A 358 182.614 179.473 197.462 1.00 89.15 H +ATOM 5216 HZ3 LYS A 358 182.900 180.790 197.993 1.00 89.15 H +ATOM 5217 N LEU A 359 176.984 184.284 194.540 1.00 39.24 N +ATOM 5218 CA LEU A 359 176.275 185.289 195.327 1.00 34.55 C +ATOM 5219 C LEU A 359 176.756 185.270 196.773 1.00 30.11 C +ATOM 5220 O LEU A 359 177.197 184.238 197.275 1.00 30.53 O +ATOM 5221 CB LEU A 359 174.765 185.056 195.269 1.00 30.94 C +ATOM 5222 CG LEU A 359 174.125 185.121 193.880 1.00 32.40 C +ATOM 5223 CD1 LEU A 359 172.676 184.675 193.947 1.00 35.93 C +ATOM 5224 CD2 LEU A 359 174.224 186.521 193.292 1.00 28.41 C +ATOM 5225 H LEU A 359 176.468 183.701 194.175 1.00 47.09 H +ATOM 5226 HA LEU A 359 176.460 186.167 194.959 1.00 41.47 H +ATOM 5227 HB2 LEU A 359 174.579 184.176 195.631 1.00 37.13 H +ATOM 5228 HB3 LEU A 359 174.332 185.729 195.817 1.00 37.13 H +ATOM 5229 HG LEU A 359 174.597 184.515 193.288 1.00 38.88 H +ATOM 5230 HD11 LEU A 359 172.290 184.723 193.059 1.00 43.12 H +ATOM 5231 HD12 LEU A 359 172.642 183.762 194.274 1.00 43.12 H +ATOM 5232 HD13 LEU A 359 172.193 185.261 194.551 1.00 43.12 H +ATOM 5233 HD21 LEU A 359 173.809 186.525 192.415 1.00 34.09 H +ATOM 5234 HD22 LEU A 359 173.764 187.142 193.878 1.00 34.09 H +ATOM 5235 HD23 LEU A 359 175.159 186.767 193.218 1.00 34.09 H +ATOM 5236 N LYS A 360 176.664 186.421 197.432 1.00 29.97 N +ATOM 5237 CA LYS A 360 177.217 186.596 198.769 1.00 40.22 C +ATOM 5238 C LYS A 360 176.238 187.309 199.695 1.00 39.72 C +ATOM 5239 O LYS A 360 175.663 188.334 199.332 1.00 33.46 O +ATOM 5240 CB LYS A 360 178.524 187.391 198.695 1.00 40.12 C +ATOM 5241 CG LYS A 360 179.308 187.434 199.998 1.00 36.10 C +ATOM 5242 CD LYS A 360 180.497 188.378 199.896 1.00 34.02 C +ATOM 5243 CE LYS A 360 181.441 188.228 201.078 1.00 32.41 C +ATOM 5244 NZ LYS A 360 182.267 189.450 201.298 1.00 31.47 N +ATOM 5245 H LYS A 360 176.281 187.125 197.120 1.00 35.96 H +ATOM 5246 HA LYS A 360 177.413 185.726 199.149 1.00 48.26 H +ATOM 5247 HB2 LYS A 360 179.094 186.989 198.022 1.00 48.15 H +ATOM 5248 HB3 LYS A 360 178.318 188.305 198.445 1.00 48.15 H +ATOM 5249 HG2 LYS A 360 178.730 187.748 200.711 1.00 43.32 H +ATOM 5250 HG3 LYS A 360 179.641 186.546 200.202 1.00 43.32 H +ATOM 5251 HD2 LYS A 360 180.992 188.181 199.086 1.00 40.82 H +ATOM 5252 HD3 LYS A 360 180.176 189.293 199.879 1.00 40.82 H +ATOM 5253 HE2 LYS A 360 180.922 188.066 201.881 1.00 38.90 H +ATOM 5254 HE3 LYS A 360 182.041 187.484 200.913 1.00 38.90 H +ATOM 5255 HZ1 LYS A 360 182.808 189.330 201.995 1.00 37.77 H +ATOM 5256 HZ2 LYS A 360 182.759 189.618 200.576 1.00 37.77 H +ATOM 5257 HZ3 LYS A 360 181.739 190.148 201.458 1.00 37.77 H +ATOM 5258 N PHE A 361 176.051 186.758 200.890 1.00 38.29 N +ATOM 5259 CA PHE A 361 175.342 187.466 201.944 1.00 39.51 C +ATOM 5260 C PHE A 361 176.353 188.250 202.761 1.00 30.46 C +ATOM 5261 O PHE A 361 177.138 187.674 203.512 1.00 27.90 O +ATOM 5262 CB PHE A 361 174.553 186.511 202.843 1.00 43.86 C +ATOM 5263 CG PHE A 361 173.889 187.194 204.007 1.00 34.84 C +ATOM 5264 CD1 PHE A 361 173.163 188.359 203.817 1.00 34.36 C +ATOM 5265 CD2 PHE A 361 173.990 186.678 205.286 1.00 33.35 C +ATOM 5266 CE1 PHE A 361 172.556 188.993 204.881 1.00 32.32 C +ATOM 5267 CE2 PHE A 361 173.383 187.308 206.350 1.00 31.82 C +ATOM 5268 CZ PHE A 361 172.665 188.465 206.148 1.00 31.35 C +ATOM 5269 H PHE A 361 176.326 185.975 201.114 1.00 45.95 H +ATOM 5270 HA PHE A 361 174.719 188.094 201.545 1.00 47.41 H +ATOM 5271 HB2 PHE A 361 173.861 186.083 202.316 1.00 52.63 H +ATOM 5272 HB3 PHE A 361 175.159 185.841 203.198 1.00 52.63 H +ATOM 5273 HD1 PHE A 361 173.087 188.720 202.963 1.00 41.24 H +ATOM 5274 HD2 PHE A 361 174.474 185.897 205.429 1.00 40.01 H +ATOM 5275 HE1 PHE A 361 172.070 189.774 204.742 1.00 38.78 H +ATOM 5276 HE2 PHE A 361 173.458 186.950 207.205 1.00 38.18 H +ATOM 5277 HZ PHE A 361 172.255 188.890 206.866 1.00 37.62 H +ATOM 5278 N ASP A 362 176.337 189.568 202.599 1.00 34.18 N +ATOM 5279 CA ASP A 362 177.278 190.433 203.290 1.00 38.30 C +ATOM 5280 C ASP A 362 176.705 191.840 203.434 1.00 35.07 C +ATOM 5281 O ASP A 362 176.873 192.673 202.548 1.00 34.18 O +ATOM 5282 CB ASP A 362 178.610 190.473 202.543 1.00 38.19 C +ATOM 5283 CG ASP A 362 179.671 191.265 203.284 1.00 36.84 C +ATOM 5284 OD1 ASP A 362 179.449 191.613 204.465 1.00 29.92 O +ATOM 5285 OD2 ASP A 362 180.734 191.534 202.688 1.00 39.84 O +ATOM 5286 H ASP A 362 175.785 189.987 202.090 1.00 41.02 H +ATOM 5287 HA ASP A 362 177.440 190.080 204.179 1.00 45.96 H +ATOM 5288 HB2 ASP A 362 178.937 189.567 202.430 1.00 45.83 H +ATOM 5289 HB3 ASP A 362 178.475 190.888 201.677 1.00 45.83 H +ATOM 5290 N PRO A 363 176.013 192.107 204.554 1.00 34.51 N +ATOM 5291 CA PRO A 363 175.416 193.422 204.809 1.00 36.04 C +ATOM 5292 C PRO A 363 176.390 194.591 204.676 1.00 29.57 C +ATOM 5293 O PRO A 363 175.960 195.707 204.387 1.00 30.45 O +ATOM 5294 CB PRO A 363 174.920 193.291 206.249 1.00 34.37 C +ATOM 5295 CG PRO A 363 174.574 191.865 206.375 1.00 30.58 C +ATOM 5296 CD PRO A 363 175.608 191.126 205.578 1.00 36.98 C +ATOM 5297 HA PRO A 363 174.658 193.567 204.221 1.00 43.24 H +ATOM 5298 HB2 PRO A 363 175.629 193.532 206.865 1.00 41.25 H +ATOM 5299 HB3 PRO A 363 174.139 193.851 206.382 1.00 41.25 H +ATOM 5300 HG2 PRO A 363 174.610 191.602 207.309 1.00 36.69 H +ATOM 5301 HG3 PRO A 363 173.688 191.711 206.011 1.00 36.69 H +ATOM 5302 HD2 PRO A 363 176.364 190.892 206.139 1.00 44.37 H +ATOM 5303 HD3 PRO A 363 175.218 190.342 205.160 1.00 44.37 H +ATOM 5304 N GLU A 364 177.678 194.340 204.872 1.00 34.63 N +ATOM 5305 CA GLU A 364 178.681 195.399 204.793 1.00 35.87 C +ATOM 5306 C GLU A 364 178.750 196.015 203.396 1.00 33.13 C +ATOM 5307 O GLU A 364 179.195 197.149 203.234 1.00 33.12 O +ATOM 5308 CB GLU A 364 180.051 194.859 205.200 1.00 37.14 C +ATOM 5309 CG GLU A 364 180.127 194.434 206.657 1.00 52.80 C +ATOM 5310 CD GLU A 364 181.455 193.806 207.021 1.00 62.23 C +ATOM 5311 OE1 GLU A 364 182.445 194.036 206.295 1.00 64.62 O +ATOM 5312 OE2 GLU A 364 181.506 193.078 208.035 1.00 62.71 O +ATOM 5313 H GLU A 364 178.000 193.564 205.054 1.00 41.55 H +ATOM 5314 HA GLU A 364 178.442 196.103 205.416 1.00 43.04 H +ATOM 5315 HB2 GLU A 364 180.258 194.084 204.653 1.00 44.57 H +ATOM 5316 HB3 GLU A 364 180.716 195.550 205.056 1.00 44.57 H +ATOM 5317 HG2 GLU A 364 180.001 195.214 207.220 1.00 63.37 H +ATOM 5318 HG3 GLU A 364 179.429 193.783 206.833 1.00 63.37 H +ATOM 5319 N LEU A 365 178.297 195.269 202.394 1.00 26.94 N +ATOM 5320 CA LEU A 365 178.304 195.747 201.017 1.00 30.31 C +ATOM 5321 C LEU A 365 177.436 196.989 200.818 1.00 32.28 C +ATOM 5322 O LEU A 365 177.662 197.762 199.891 1.00 41.35 O +ATOM 5323 CB LEU A 365 177.826 194.639 200.075 1.00 40.39 C +ATOM 5324 CG LEU A 365 178.645 193.345 200.053 1.00 36.21 C +ATOM 5325 CD1 LEU A 365 177.950 192.300 199.195 1.00 35.07 C +ATOM 5326 CD2 LEU A 365 180.055 193.593 199.553 1.00 33.47 C +ATOM 5327 H LEU A 365 177.978 194.476 202.486 1.00 32.33 H +ATOM 5328 HA LEU A 365 179.214 195.976 200.770 1.00 36.37 H +ATOM 5329 HB2 LEU A 365 176.920 194.400 200.326 1.00 48.47 H +ATOM 5330 HB3 LEU A 365 177.824 194.992 199.171 1.00 48.47 H +ATOM 5331 HG LEU A 365 178.706 192.997 200.956 1.00 43.45 H +ATOM 5332 HD11 LEU A 365 178.482 191.489 199.193 1.00 42.08 H +ATOM 5333 HD12 LEU A 365 177.072 192.120 199.568 1.00 42.08 H +ATOM 5334 HD13 LEU A 365 177.862 192.641 198.292 1.00 42.08 H +ATOM 5335 HD21 LEU A 365 180.541 192.753 199.554 1.00 40.16 H +ATOM 5336 HD22 LEU A 365 180.012 193.950 198.653 1.00 40.16 H +ATOM 5337 HD23 LEU A 365 180.491 194.228 200.142 1.00 40.16 H +ATOM 5338 N LEU A 366 176.448 197.179 201.688 1.00 33.85 N +ATOM 5339 CA LEU A 366 175.481 198.263 201.530 1.00 33.06 C +ATOM 5340 C LEU A 366 175.696 199.434 202.490 1.00 27.89 C +ATOM 5341 O LEU A 366 174.952 200.409 202.453 1.00 31.29 O +ATOM 5342 CB LEU A 366 174.063 197.720 201.713 1.00 37.05 C +ATOM 5343 CG LEU A 366 173.535 196.778 200.630 1.00 34.88 C +ATOM 5344 CD1 LEU A 366 172.232 196.137 201.085 1.00 37.14 C +ATOM 5345 CD2 LEU A 366 173.331 197.524 199.320 1.00 28.56 C +ATOM 5346 H LEU A 366 176.315 196.691 202.384 1.00 40.62 H +ATOM 5347 HA LEU A 366 175.549 198.608 200.627 1.00 39.68 H +ATOM 5348 HB2 LEU A 366 174.032 197.235 202.553 1.00 44.45 H +ATOM 5349 HB3 LEU A 366 173.455 198.474 201.757 1.00 44.45 H +ATOM 5350 HG LEU A 366 174.183 196.072 200.478 1.00 41.85 H +ATOM 5351 HD11 LEU A 366 171.911 195.544 200.388 1.00 44.57 H +ATOM 5352 HD12 LEU A 366 172.395 195.635 201.899 1.00 44.57 H +ATOM 5353 HD13 LEU A 366 171.579 196.835 201.253 1.00 44.57 H +ATOM 5354 HD21 LEU A 366 172.997 196.904 198.653 1.00 34.28 H +ATOM 5355 HD22 LEU A 366 172.689 198.237 199.461 1.00 34.28 H +ATOM 5356 HD23 LEU A 366 174.180 197.894 199.032 1.00 34.28 H +ATOM 5357 N PHE A 367 176.712 199.355 203.341 1.00 31.87 N +ATOM 5358 CA PHE A 367 176.917 200.379 204.365 1.00 33.33 C +ATOM 5359 C PHE A 367 177.335 201.735 203.795 1.00 33.60 C +ATOM 5360 O PHE A 367 177.126 202.765 204.434 1.00 42.85 O +ATOM 5361 CB PHE A 367 177.958 199.913 205.385 1.00 28.72 C +ATOM 5362 CG PHE A 367 177.476 198.814 206.303 1.00 34.95 C +ATOM 5363 CD1 PHE A 367 176.140 198.443 206.340 1.00 29.38 C +ATOM 5364 CD2 PHE A 367 178.366 198.159 207.138 1.00 30.22 C +ATOM 5365 CE1 PHE A 367 175.709 197.443 207.179 1.00 31.41 C +ATOM 5366 CE2 PHE A 367 177.935 197.157 207.981 1.00 35.47 C +ATOM 5367 CZ PHE A 367 176.605 196.799 208.003 1.00 31.51 C +ATOM 5368 H PHE A 367 177.296 198.723 203.348 1.00 38.24 H +ATOM 5369 HA PHE A 367 176.081 200.508 204.840 1.00 39.99 H +ATOM 5370 HB2 PHE A 367 178.734 199.579 204.908 1.00 34.47 H +ATOM 5371 HB3 PHE A 367 178.213 200.668 205.937 1.00 34.47 H +ATOM 5372 HD1 PHE A 367 175.529 198.873 205.786 1.00 35.25 H +ATOM 5373 HD2 PHE A 367 179.265 198.396 207.128 1.00 36.26 H +ATOM 5374 HE1 PHE A 367 174.810 197.203 207.193 1.00 37.69 H +ATOM 5375 HE2 PHE A 367 178.542 196.723 208.536 1.00 42.57 H +ATOM 5376 HZ PHE A 367 176.313 196.123 208.571 1.00 37.82 H +ATOM 5377 N ASN A 368 177.919 201.739 202.600 1.00 46.91 N +ATOM 5378 CA ASN A 368 178.280 202.985 201.924 1.00 57.66 C +ATOM 5379 C ASN A 368 177.265 203.370 200.851 1.00 44.82 C +ATOM 5380 O ASN A 368 177.467 204.332 200.113 1.00 55.85 O +ATOM 5381 CB ASN A 368 179.673 202.871 201.296 1.00 66.21 C +ATOM 5382 CG ASN A 368 180.789 203.107 202.294 1.00 93.15 C +ATOM 5383 OD1 ASN A 368 180.564 203.134 203.505 1.00 68.05 O +ATOM 5384 ND2 ASN A 368 182.003 203.280 201.787 1.00102.04 N +ATOM 5385 H ASN A 368 178.118 201.030 202.156 1.00 56.29 H +ATOM 5386 HA ASN A 368 178.306 203.700 202.579 1.00 69.19 H +ATOM 5387 HB2 ASN A 368 179.782 201.979 200.930 1.00 79.45 H +ATOM 5388 HB3 ASN A 368 179.756 203.532 200.591 1.00 79.45 H +ATOM 5389 HD21 ASN A 368 182.672 203.418 202.310 1.00122.45 H +ATOM 5390 HD22 ASN A 368 182.121 203.255 200.935 1.00122.45 H +ATOM 5391 N LYS A 369 176.172 202.618 200.770 1.00 45.06 N +ATOM 5392 CA LYS A 369 175.165 202.829 199.738 1.00 47.54 C +ATOM 5393 C LYS A 369 173.876 203.390 200.320 1.00 37.52 C +ATOM 5394 O LYS A 369 173.643 203.320 201.524 1.00 39.20 O +ATOM 5395 CB LYS A 369 174.864 201.517 199.010 1.00 44.26 C +ATOM 5396 CG LYS A 369 176.092 200.801 198.480 1.00 42.82 C +ATOM 5397 CD LYS A 369 176.810 201.628 197.432 1.00 47.54 C +ATOM 5398 CE LYS A 369 178.032 200.905 196.899 1.00 51.29 C +ATOM 5399 NZ LYS A 369 178.765 201.729 195.902 1.00 60.77 N +ATOM 5400 H LYS A 369 175.990 201.972 201.307 1.00 54.07 H +ATOM 5401 HA LYS A 369 175.504 203.464 199.088 1.00 57.05 H +ATOM 5402 HB2 LYS A 369 174.415 200.916 199.626 1.00 53.12 H +ATOM 5403 HB3 LYS A 369 174.284 201.706 198.256 1.00 53.12 H +ATOM 5404 HG2 LYS A 369 176.707 200.637 199.211 1.00 51.39 H +ATOM 5405 HG3 LYS A 369 175.822 199.963 198.073 1.00 51.39 H +ATOM 5406 HD2 LYS A 369 176.209 201.797 196.690 1.00 57.05 H +ATOM 5407 HD3 LYS A 369 177.100 202.465 197.828 1.00 57.05 H +ATOM 5408 HE2 LYS A 369 178.635 200.712 197.634 1.00 61.55 H +ATOM 5409 HE3 LYS A 369 177.754 200.083 196.467 1.00 61.55 H +ATOM 5410 HZ1 LYS A 369 179.476 201.285 195.604 1.00 72.93 H +ATOM 5411 HZ2 LYS A 369 178.233 201.917 195.213 1.00 72.93 H +ATOM 5412 HZ3 LYS A 369 179.035 202.490 196.275 1.00 72.93 H +ATOM 5413 N GLN A 370 173.043 203.955 199.455 1.00 42.25 N +ATOM 5414 CA GLN A 370 171.683 204.304 199.832 1.00 42.39 C +ATOM 5415 C GLN A 370 170.847 203.038 199.824 1.00 42.13 C +ATOM 5416 O GLN A 370 170.889 202.262 198.870 1.00 43.19 O +ATOM 5417 CB GLN A 370 171.093 205.342 198.883 1.00 34.87 C +ATOM 5418 CG GLN A 370 171.646 206.743 199.071 1.00 38.85 C +ATOM 5419 CD GLN A 370 171.139 207.708 198.019 1.00 42.47 C +ATOM 5420 OE1 GLN A 370 171.234 207.443 196.821 1.00 62.95 O +ATOM 5421 NE2 GLN A 370 170.585 208.830 198.462 1.00 47.12 N +ATOM 5422 H GLN A 370 173.243 204.147 198.641 1.00 50.70 H +ATOM 5423 HA GLN A 370 171.679 204.670 200.730 1.00 50.86 H +ATOM 5424 HB2 GLN A 370 171.280 205.072 197.970 1.00 41.85 H +ATOM 5425 HB3 GLN A 370 170.134 205.383 199.022 1.00 41.85 H +ATOM 5426 HG2 GLN A 370 171.377 207.076 199.941 1.00 46.62 H +ATOM 5427 HG3 GLN A 370 172.614 206.713 199.011 1.00 46.62 H +ATOM 5428 HE21 GLN A 370 170.529 208.978 199.307 1.00 56.55 H +ATOM 5429 HE22 GLN A 370 170.282 209.410 197.903 1.00 56.55 H +ATOM 5430 N PHE A 371 170.089 202.831 200.892 1.00 42.23 N +ATOM 5431 CA PHE A 371 169.305 201.617 201.050 1.00 34.10 C +ATOM 5432 C PHE A 371 168.405 201.765 202.266 1.00 25.13 C +ATOM 5433 O PHE A 371 168.829 202.287 203.290 1.00 29.09 O +ATOM 5434 CB PHE A 371 170.223 200.400 201.198 1.00 31.84 C +ATOM 5435 CG PHE A 371 169.509 199.085 201.134 1.00 28.86 C +ATOM 5436 CD1 PHE A 371 169.292 198.462 199.919 1.00 32.98 C +ATOM 5437 CD2 PHE A 371 169.072 198.462 202.286 1.00 32.47 C +ATOM 5438 CE1 PHE A 371 168.642 197.249 199.858 1.00 37.56 C +ATOM 5439 CE2 PHE A 371 168.422 197.248 202.228 1.00 27.54 C +ATOM 5440 CZ PHE A 371 168.207 196.642 201.015 1.00 28.89 C +ATOM 5441 H PHE A 371 170.012 203.384 201.546 1.00 50.67 H +ATOM 5442 HA PHE A 371 168.747 201.488 200.267 1.00 40.92 H +ATOM 5443 HB2 PHE A 371 170.879 200.415 200.484 1.00 38.20 H +ATOM 5444 HB3 PHE A 371 170.672 200.450 202.057 1.00 38.20 H +ATOM 5445 HD1 PHE A 371 169.583 198.868 199.135 1.00 39.57 H +ATOM 5446 HD2 PHE A 371 169.215 198.868 203.111 1.00 38.97 H +ATOM 5447 HE1 PHE A 371 168.497 196.840 199.035 1.00 45.08 H +ATOM 5448 HE2 PHE A 371 168.129 196.839 203.010 1.00 33.05 H +ATOM 5449 HZ PHE A 371 167.768 195.823 200.974 1.00 34.67 H +ATOM 5450 N GLN A 372 167.161 201.314 202.144 1.00 30.63 N +ATOM 5451 CA GLN A 372 166.211 201.361 203.250 1.00 29.75 C +ATOM 5452 C GLN A 372 166.108 200.000 203.930 1.00 23.34 C +ATOM 5453 O GLN A 372 165.780 199.001 203.292 1.00 19.20 O +ATOM 5454 CB GLN A 372 164.833 201.805 202.759 1.00 23.33 C +ATOM 5455 CG GLN A 372 164.836 203.124 202.023 1.00 17.76 C +ATOM 5456 CD GLN A 372 165.220 204.287 202.906 1.00 26.91 C +ATOM 5457 OE1 GLN A 372 164.649 204.485 203.977 1.00 28.84 O +ATOM 5458 NE2 GLN A 372 166.195 205.064 202.464 1.00 27.97 N +ATOM 5459 H GLN A 372 166.839 200.973 201.424 1.00 36.76 H +ATOM 5460 HA GLN A 372 166.519 202.005 203.907 1.00 35.70 H +ATOM 5461 HB2 GLN A 372 164.485 201.130 202.156 1.00 28.00 H +ATOM 5462 HB3 GLN A 372 164.244 201.896 203.525 1.00 28.00 H +ATOM 5463 HG2 GLN A 372 165.475 203.077 201.294 1.00 21.31 H +ATOM 5464 HG3 GLN A 372 163.947 203.293 201.673 1.00 21.31 H +ATOM 5465 HE21 GLN A 372 166.572 204.893 201.710 1.00 33.57 H +ATOM 5466 HE22 GLN A 372 166.451 205.740 202.930 1.00 33.57 H +ATOM 5467 N TYR A 373 166.394 199.970 205.227 1.00 21.40 N +ATOM 5468 CA TYR A 373 166.273 198.744 206.003 1.00 25.98 C +ATOM 5469 C TYR A 373 164.846 198.595 206.508 1.00 25.79 C +ATOM 5470 O TYR A 373 164.556 198.773 207.691 1.00 22.56 O +ATOM 5471 CB TYR A 373 167.280 198.735 207.151 1.00 22.86 C +ATOM 5472 CG TYR A 373 168.698 198.709 206.644 1.00 19.79 C +ATOM 5473 CD1 TYR A 373 169.215 197.568 206.051 1.00 24.24 C +ATOM 5474 CD2 TYR A 373 169.507 199.830 206.724 1.00 21.65 C +ATOM 5475 CE1 TYR A 373 170.503 197.539 205.568 1.00 26.46 C +ATOM 5476 CE2 TYR A 373 170.797 199.811 206.245 1.00 28.54 C +ATOM 5477 CZ TYR A 373 171.292 198.664 205.668 1.00 27.68 C +ATOM 5478 OH TYR A 373 172.579 198.642 205.190 1.00 23.67 O +ATOM 5479 H TYR A 373 166.661 200.649 205.682 1.00 25.68 H +ATOM 5480 HA TYR A 373 166.468 197.986 205.429 1.00 31.17 H +ATOM 5481 HB2 TYR A 373 167.163 199.537 207.685 1.00 27.43 H +ATOM 5482 HB3 TYR A 373 167.138 197.946 207.696 1.00 27.43 H +ATOM 5483 HD1 TYR A 373 168.684 196.807 205.983 1.00 29.09 H +ATOM 5484 HD2 TYR A 373 169.176 200.607 207.113 1.00 25.98 H +ATOM 5485 HE1 TYR A 373 170.839 196.765 205.179 1.00 31.76 H +ATOM 5486 HE2 TYR A 373 171.332 200.569 206.311 1.00 34.25 H +ATOM 5487 HH TYR A 373 172.753 197.886 204.867 1.00 28.41 H +ATOM 5488 N GLN A 374 163.964 198.279 205.567 1.00 28.08 N +ATOM 5489 CA GLN A 374 162.562 198.019 205.842 1.00 26.70 C +ATOM 5490 C GLN A 374 161.956 197.330 204.628 1.00 25.64 C +ATOM 5491 O GLN A 374 162.500 197.418 203.531 1.00 25.73 O +ATOM 5492 CB GLN A 374 161.810 199.313 206.163 1.00 24.90 C +ATOM 5493 CG GLN A 374 161.918 200.390 205.106 1.00 29.79 C +ATOM 5494 CD GLN A 374 161.023 201.579 205.404 1.00 28.78 C +ATOM 5495 OE1 GLN A 374 159.799 201.462 205.398 1.00 40.06 O +ATOM 5496 NE2 GLN A 374 161.630 202.729 205.671 1.00 33.00 N +ATOM 5497 H GLN A 374 164.164 198.208 204.733 1.00 33.69 H +ATOM 5498 HA GLN A 374 162.487 197.423 206.604 1.00 32.04 H +ATOM 5499 HB2 GLN A 374 160.870 199.105 206.274 1.00 29.88 H +ATOM 5500 HB3 GLN A 374 162.163 199.678 206.990 1.00 29.88 H +ATOM 5501 HG2 GLN A 374 162.835 200.705 205.066 1.00 35.75 H +ATOM 5502 HG3 GLN A 374 161.655 200.021 204.249 1.00 35.75 H +ATOM 5503 HE21 GLN A 374 162.489 202.772 205.669 1.00 39.60 H +ATOM 5504 HE22 GLN A 374 161.165 203.430 205.845 1.00 39.60 H +ATOM 5505 N ASN A 375 160.844 196.635 204.827 1.00 24.72 N +ATOM 5506 CA ASN A 375 160.192 195.928 203.734 1.00 22.79 C +ATOM 5507 C ASN A 375 158.688 195.822 203.938 1.00 20.49 C +ATOM 5508 O ASN A 375 158.194 195.891 205.058 1.00 25.53 O +ATOM 5509 CB ASN A 375 160.789 194.528 203.575 1.00 21.59 C +ATOM 5510 CG ASN A 375 160.394 193.872 202.265 1.00 24.22 C +ATOM 5511 OD1 ASN A 375 160.473 194.487 201.202 1.00 25.38 O +ATOM 5512 ND2 ASN A 375 159.949 192.624 202.337 1.00 16.23 N +ATOM 5513 H ASN A 375 160.447 196.557 205.585 1.00 29.66 H +ATOM 5514 HA ASN A 375 160.348 196.414 202.910 1.00 27.35 H +ATOM 5515 HB2 ASN A 375 161.757 194.592 203.599 1.00 25.90 H +ATOM 5516 HB3 ASN A 375 160.475 193.965 204.300 1.00 25.90 H +ATOM 5517 HD21 ASN A 375 159.713 192.210 201.621 1.00 19.47 H +ATOM 5518 HD22 ASN A 375 159.897 192.229 203.099 1.00 19.47 H +ATOM 5519 N ARG A 376 157.978 195.667 202.829 1.00 24.61 N +ATOM 5520 CA ARG A 376 156.539 195.458 202.828 1.00 20.68 C +ATOM 5521 C ARG A 376 156.225 194.471 201.710 1.00 19.47 C +ATOM 5522 O ARG A 376 156.577 194.703 200.555 1.00 23.00 O +ATOM 5523 CB ARG A 376 155.792 196.780 202.629 1.00 21.09 C +ATOM 5524 CG ARG A 376 154.296 196.714 202.915 1.00 22.08 C +ATOM 5525 CD ARG A 376 153.995 196.711 204.408 1.00 24.85 C +ATOM 5526 NE ARG A 376 154.441 197.938 205.063 1.00 26.76 N +ATOM 5527 CZ ARG A 376 153.742 199.067 205.118 1.00 23.84 C +ATOM 5528 NH1 ARG A 376 152.543 199.148 204.554 1.00 23.63 N +ATOM 5529 NH2 ARG A 376 154.247 200.124 205.738 1.00 26.23 N +ATOM 5530 H ARG A 376 158.319 195.679 202.040 1.00 29.53 H +ATOM 5531 HA ARG A 376 156.264 195.069 203.673 1.00 24.82 H +ATOM 5532 HB2 ARG A 376 156.175 197.444 203.223 1.00 25.31 H +ATOM 5533 HB3 ARG A 376 155.903 197.062 201.708 1.00 25.31 H +ATOM 5534 HG2 ARG A 376 153.863 197.487 202.521 1.00 26.49 H +ATOM 5535 HG3 ARG A 376 153.935 195.898 202.532 1.00 26.49 H +ATOM 5536 HD2 ARG A 376 153.037 196.630 204.539 1.00 29.82 H +ATOM 5537 HD3 ARG A 376 154.452 195.964 204.823 1.00 29.82 H +ATOM 5538 HE ARG A 376 155.213 197.929 205.441 1.00 32.11 H +ATOM 5539 HH11 ARG A 376 152.211 198.466 204.150 1.00 28.35 H +ATOM 5540 HH12 ARG A 376 152.097 199.883 204.594 1.00 28.35 H +ATOM 5541 HH21 ARG A 376 155.023 200.077 206.105 1.00 31.48 H +ATOM 5542 HH22 ARG A 376 153.797 200.856 205.776 1.00 31.48 H +ATOM 5543 N ILE A 377 155.584 193.364 202.061 1.00 20.76 N +ATOM 5544 CA ILE A 377 155.358 192.275 201.117 1.00 27.83 C +ATOM 5545 C ILE A 377 154.359 192.652 200.032 1.00 25.56 C +ATOM 5546 O ILE A 377 153.224 193.038 200.312 1.00 23.27 O +ATOM 5547 CB ILE A 377 154.868 191.007 201.845 1.00 22.76 C +ATOM 5548 CG1 ILE A 377 155.917 190.548 202.862 1.00 28.23 C +ATOM 5549 CG2 ILE A 377 154.558 189.883 200.852 1.00 23.38 C +ATOM 5550 CD1 ILE A 377 157.255 190.116 202.248 1.00 21.62 C +ATOM 5551 H ILE A 377 155.266 193.216 202.847 1.00 24.91 H +ATOM 5552 HA ILE A 377 156.199 192.061 200.683 1.00 33.39 H +ATOM 5553 HB ILE A 377 154.053 191.226 202.324 1.00 27.32 H +ATOM 5554 HG12 ILE A 377 156.097 191.279 203.474 1.00 33.87 H +ATOM 5555 HG13 ILE A 377 155.562 189.791 203.353 1.00 33.87 H +ATOM 5556 HG21 ILE A 377 154.253 189.104 201.343 1.00 28.06 H +ATOM 5557 HG22 ILE A 377 153.866 190.183 200.243 1.00 28.06 H +ATOM 5558 HG23 ILE A 377 155.365 189.669 200.358 1.00 28.06 H +ATOM 5559 HD11 ILE A 377 157.855 189.843 202.960 1.00 25.95 H +ATOM 5560 HD12 ILE A 377 157.100 189.374 201.643 1.00 25.95 H +ATOM 5561 HD13 ILE A 377 157.636 190.865 201.764 1.00 25.95 H +ATOM 5562 N ALA A 378 154.801 192.519 198.786 1.00 27.85 N +ATOM 5563 CA ALA A 378 153.983 192.859 197.630 1.00 21.72 C +ATOM 5564 C ALA A 378 153.075 191.704 197.229 1.00 19.78 C +ATOM 5565 O ALA A 378 153.514 190.557 197.152 1.00 25.15 O +ATOM 5566 CB ALA A 378 154.866 193.255 196.469 1.00 28.45 C +ATOM 5567 H ALA A 378 155.584 192.230 198.582 1.00 33.42 H +ATOM 5568 HA ALA A 378 153.422 193.618 197.853 1.00 26.06 H +ATOM 5569 HB1 ALA A 378 154.306 193.478 195.709 1.00 34.14 H +ATOM 5570 HB2 ALA A 378 155.398 194.024 196.726 1.00 34.14 H +ATOM 5571 HB3 ALA A 378 155.446 192.510 196.247 1.00 34.14 H +ATOM 5572 N ALA A 379 151.809 192.013 196.968 1.00 28.76 N +ATOM 5573 CA ALA A 379 150.845 191.011 196.525 1.00 25.91 C +ATOM 5574 C ALA A 379 151.311 190.326 195.245 1.00 27.14 C +ATOM 5575 O ALA A 379 151.057 189.143 195.043 1.00 28.56 O +ATOM 5576 CB ALA A 379 149.485 191.646 196.313 1.00 25.47 C +ATOM 5577 H ALA A 379 151.480 192.804 197.041 1.00 34.51 H +ATOM 5578 HA ALA A 379 150.756 190.333 197.212 1.00 31.09 H +ATOM 5579 HB1 ALA A 379 148.861 190.964 196.019 1.00 30.57 H +ATOM 5580 HB2 ALA A 379 149.184 192.032 197.150 1.00 30.57 H +ATOM 5581 HB3 ALA A 379 149.562 192.338 195.638 1.00 30.57 H +ATOM 5582 N GLU A 380 151.995 191.072 194.384 1.00 32.14 N +ATOM 5583 CA GLU A 380 152.467 190.521 193.119 1.00 28.20 C +ATOM 5584 C GLU A 380 153.566 189.500 193.357 1.00 29.08 C +ATOM 5585 O GLU A 380 153.671 188.507 192.635 1.00 33.70 O +ATOM 5586 CB GLU A 380 152.968 191.630 192.199 1.00 31.26 C +ATOM 5587 CG GLU A 380 151.889 192.614 191.791 1.00 34.69 C +ATOM 5588 CD GLU A 380 151.880 193.869 192.640 1.00 32.56 C +ATOM 5589 OE1 GLU A 380 152.345 193.817 193.795 1.00 32.50 O +ATOM 5590 OE2 GLU A 380 151.408 194.912 192.143 1.00 31.57 O +ATOM 5591 H GLU A 380 152.200 191.898 194.508 1.00 38.57 H +ATOM 5592 HA GLU A 380 151.730 190.072 192.675 1.00 33.85 H +ATOM 5593 HB2 GLU A 380 153.665 192.125 192.656 1.00 37.51 H +ATOM 5594 HB3 GLU A 380 153.324 191.229 191.391 1.00 37.51 H +ATOM 5595 HG2 GLU A 380 152.035 192.877 190.869 1.00 41.63 H +ATOM 5596 HG3 GLU A 380 151.023 192.187 191.880 1.00 41.63 H +ATOM 5597 N PHE A 381 154.387 189.756 194.371 1.00 29.65 N +ATOM 5598 CA PHE A 381 155.424 188.817 194.781 1.00 29.27 C +ATOM 5599 C PHE A 381 154.769 187.522 195.240 1.00 25.41 C +ATOM 5600 O PHE A 381 155.229 186.431 194.914 1.00 28.15 O +ATOM 5601 CB PHE A 381 156.281 189.427 195.895 1.00 29.46 C +ATOM 5602 CG PHE A 381 157.530 188.650 196.221 1.00 26.76 C +ATOM 5603 CD1 PHE A 381 158.298 188.076 195.223 1.00 32.22 C +ATOM 5604 CD2 PHE A 381 157.958 188.533 197.534 1.00 32.63 C +ATOM 5605 CE1 PHE A 381 159.453 187.378 195.532 1.00 29.24 C +ATOM 5606 CE2 PHE A 381 159.110 187.838 197.847 1.00 27.22 C +ATOM 5607 CZ PHE A 381 159.859 187.261 196.844 1.00 28.79 C +ATOM 5608 H PHE A 381 154.363 190.475 194.842 1.00 35.58 H +ATOM 5609 HA PHE A 381 155.999 188.620 194.025 1.00 35.12 H +ATOM 5610 HB2 PHE A 381 156.551 190.319 195.625 1.00 35.36 H +ATOM 5611 HB3 PHE A 381 155.747 189.479 196.704 1.00 35.36 H +ATOM 5612 HD1 PHE A 381 158.029 188.150 194.336 1.00 38.66 H +ATOM 5613 HD2 PHE A 381 157.456 188.920 198.216 1.00 39.15 H +ATOM 5614 HE1 PHE A 381 159.956 186.990 194.854 1.00 35.09 H +ATOM 5615 HE2 PHE A 381 159.381 187.761 198.733 1.00 32.67 H +ATOM 5616 HZ PHE A 381 160.634 186.792 197.052 1.00 34.54 H +ATOM 5617 N ASN A 382 153.686 187.654 195.999 1.00 33.27 N +ATOM 5618 CA ASN A 382 152.900 186.502 196.424 1.00 29.49 C +ATOM 5619 C ASN A 382 152.408 185.728 195.211 1.00 33.62 C +ATOM 5620 O ASN A 382 152.615 184.524 195.116 1.00 34.10 O +ATOM 5621 CB ASN A 382 151.721 186.949 197.294 1.00 33.77 C +ATOM 5622 CG ASN A 382 150.917 185.785 197.858 1.00 35.35 C +ATOM 5623 OD1 ASN A 382 150.724 184.762 197.209 1.00 40.36 O +ATOM 5624 ND2 ASN A 382 150.436 185.952 199.079 1.00 50.91 N +ATOM 5625 H ASN A 382 153.383 188.407 196.283 1.00 39.92 H +ATOM 5626 HA ASN A 382 153.460 185.912 196.953 1.00 35.38 H +ATOM 5627 HB2 ASN A 382 152.060 187.467 198.041 1.00 40.53 H +ATOM 5628 HB3 ASN A 382 151.123 187.493 196.758 1.00 40.53 H +ATOM 5629 HD21 ASN A 382 149.974 185.328 199.448 1.00 61.09 H +ATOM 5630 HD22 ASN A 382 150.586 186.685 199.503 1.00 61.09 H +ATOM 5631 N THR A 383 151.777 186.434 194.281 1.00 36.74 N +ATOM 5632 CA THR A 383 151.204 185.817 193.091 1.00 28.03 C +ATOM 5633 C THR A 383 152.236 185.052 192.266 1.00 34.14 C +ATOM 5634 O THR A 383 152.018 183.893 191.915 1.00 32.21 O +ATOM 5635 CB THR A 383 150.537 186.875 192.198 1.00 36.84 C +ATOM 5636 OG1 THR A 383 149.493 187.521 192.934 1.00 42.01 O +ATOM 5637 CG2 THR A 383 149.947 186.248 190.939 1.00 37.41 C +ATOM 5638 H THR A 383 151.665 187.286 194.316 1.00 44.09 H +ATOM 5639 HA THR A 383 150.519 185.187 193.365 1.00 33.63 H +ATOM 5640 HB THR A 383 151.198 187.533 191.931 1.00 44.20 H +ATOM 5641 HG1 THR A 383 149.121 188.103 192.456 1.00 50.41 H +ATOM 5642 HG21 THR A 383 149.532 186.932 190.391 1.00 44.89 H +ATOM 5643 HG22 THR A 383 150.646 185.814 190.426 1.00 44.89 H +ATOM 5644 HG23 THR A 383 149.277 185.589 191.180 1.00 44.89 H +ATOM 5645 N LEU A 384 153.358 185.694 191.956 1.00 33.79 N +ATOM 5646 CA LEU A 384 154.357 185.076 191.090 1.00 33.29 C +ATOM 5647 C LEU A 384 155.001 183.853 191.742 1.00 36.07 C +ATOM 5648 O LEU A 384 155.609 183.036 191.055 1.00 37.00 O +ATOM 5649 CB LEU A 384 155.436 186.094 190.694 1.00 28.78 C +ATOM 5650 CG LEU A 384 156.455 186.566 191.737 1.00 23.93 C +ATOM 5651 CD1 LEU A 384 157.657 185.633 191.824 1.00 27.97 C +ATOM 5652 CD2 LEU A 384 156.915 187.975 191.412 1.00 29.90 C +ATOM 5653 H LEU A 384 153.564 186.482 192.232 1.00 40.55 H +ATOM 5654 HA LEU A 384 153.920 184.779 190.276 1.00 39.94 H +ATOM 5655 HB2 LEU A 384 155.946 185.709 189.964 1.00 34.54 H +ATOM 5656 HB3 LEU A 384 154.983 186.889 190.372 1.00 34.54 H +ATOM 5657 HG LEU A 384 156.028 186.584 192.607 1.00 28.72 H +ATOM 5658 HD11 LEU A 384 158.271 185.972 192.494 1.00 33.56 H +ATOM 5659 HD12 LEU A 384 157.352 184.747 192.073 1.00 33.56 H +ATOM 5660 HD13 LEU A 384 158.096 185.602 190.959 1.00 33.56 H +ATOM 5661 HD21 LEU A 384 157.558 188.259 192.079 1.00 35.88 H +ATOM 5662 HD22 LEU A 384 157.326 187.978 190.533 1.00 35.88 H +ATOM 5663 HD23 LEU A 384 156.146 188.567 191.420 1.00 35.88 H +ATOM 5664 N TYR A 385 154.860 183.717 193.059 1.00 36.53 N +ATOM 5665 CA TYR A 385 155.519 182.626 193.775 1.00 33.34 C +ATOM 5666 C TYR A 385 154.667 181.358 193.872 1.00 32.51 C +ATOM 5667 O TYR A 385 155.037 180.419 194.573 1.00 32.92 O +ATOM 5668 CB TYR A 385 155.927 183.076 195.179 1.00 29.67 C +ATOM 5669 CG TYR A 385 157.392 182.829 195.465 1.00 29.64 C +ATOM 5670 CD1 TYR A 385 157.894 181.537 195.529 1.00 23.92 C +ATOM 5671 CD2 TYR A 385 158.274 183.886 195.653 1.00 22.72 C +ATOM 5672 CE1 TYR A 385 159.227 181.303 195.779 1.00 26.34 C +ATOM 5673 CE2 TYR A 385 159.611 183.660 195.905 1.00 23.08 C +ATOM 5674 CZ TYR A 385 160.083 182.365 195.966 1.00 28.45 C +ATOM 5675 OH TYR A 385 161.415 182.129 196.216 1.00 22.79 O +ATOM 5676 H TYR A 385 154.393 184.238 193.559 1.00 43.83 H +ATOM 5677 HA TYR A 385 156.330 182.393 193.297 1.00 40.01 H +ATOM 5678 HB2 TYR A 385 155.759 184.027 195.268 1.00 35.61 H +ATOM 5679 HB3 TYR A 385 155.406 182.584 195.833 1.00 35.61 H +ATOM 5680 HD1 TYR A 385 157.320 180.817 195.402 1.00 28.70 H +ATOM 5681 HD2 TYR A 385 157.957 184.759 195.611 1.00 27.26 H +ATOM 5682 HE1 TYR A 385 159.549 180.432 195.822 1.00 31.61 H +ATOM 5683 HE2 TYR A 385 160.190 184.376 196.031 1.00 27.69 H +ATOM 5684 HH TYR A 385 161.823 182.857 196.310 1.00 27.35 H +ATOM 5685 N HIS A 386 153.540 181.317 193.169 1.00 36.01 N +ATOM 5686 CA HIS A 386 152.732 180.101 193.127 1.00 47.62 C +ATOM 5687 C HIS A 386 153.366 179.082 192.183 1.00 46.23 C +ATOM 5688 O HIS A 386 152.832 178.797 191.113 1.00 47.84 O +ATOM 5689 CB HIS A 386 151.300 180.410 192.694 1.00 43.74 C +ATOM 5690 CG HIS A 386 150.523 181.194 193.703 1.00 45.49 C +ATOM 5691 ND1 HIS A 386 149.337 180.746 194.246 1.00 57.48 N +ATOM 5692 CD2 HIS A 386 150.768 182.395 194.277 1.00 46.79 C +ATOM 5693 CE1 HIS A 386 148.884 181.641 195.105 1.00 47.94 C +ATOM 5694 NE2 HIS A 386 149.733 182.651 195.142 1.00 39.23 N +ATOM 5695 H HIS A 386 153.223 181.972 192.710 1.00 43.22 H +ATOM 5696 HA HIS A 386 152.701 179.710 194.015 1.00 57.14 H +ATOM 5697 HB2 HIS A 386 151.327 180.926 191.873 1.00 52.49 H +ATOM 5698 HB3 HIS A 386 150.832 179.574 192.542 1.00 52.49 H +ATOM 5699 HD2 HIS A 386 151.499 182.945 194.112 1.00 56.15 H +ATOM 5700 HE1 HIS A 386 148.099 181.572 195.601 1.00 57.52 H +ATOM 5701 HE2 HIS A 386 149.653 183.355 195.630 1.00 47.07 H +ATOM 5702 N TRP A 387 154.511 178.540 192.594 1.00 43.70 N +ATOM 5703 CA TRP A 387 155.273 177.599 191.776 1.00 47.04 C +ATOM 5704 C TRP A 387 154.776 176.169 191.939 1.00 48.27 C +ATOM 5705 O TRP A 387 155.552 175.276 192.267 1.00 53.38 O +ATOM 5706 CB TRP A 387 156.759 177.644 192.144 1.00 46.27 C +ATOM 5707 CG TRP A 387 157.421 178.968 191.967 1.00 34.59 C +ATOM 5708 CD1 TRP A 387 156.926 180.059 191.317 1.00 37.59 C +ATOM 5709 CD2 TRP A 387 158.715 179.341 192.450 1.00 33.92 C +ATOM 5710 NE1 TRP A 387 157.832 181.090 191.368 1.00 32.33 N +ATOM 5711 CE2 TRP A 387 158.940 180.673 192.058 1.00 26.49 C +ATOM 5712 CE3 TRP A 387 159.706 178.676 193.178 1.00 26.34 C +ATOM 5713 CZ2 TRP A 387 160.112 181.353 192.369 1.00 25.40 C +ATOM 5714 CZ3 TRP A 387 160.867 179.351 193.485 1.00 28.94 C +ATOM 5715 CH2 TRP A 387 161.062 180.675 193.081 1.00 27.43 C +ATOM 5716 H TRP A 387 154.873 178.705 193.356 1.00 52.44 H +ATOM 5717 HA TRP A 387 155.185 177.845 190.842 1.00 56.45 H +ATOM 5718 HB2 TRP A 387 156.852 177.394 193.077 1.00 55.52 H +ATOM 5719 HB3 TRP A 387 157.232 177.005 191.589 1.00 55.52 H +ATOM 5720 HD1 TRP A 387 156.095 180.099 190.901 1.00 45.10 H +ATOM 5721 HE1 TRP A 387 157.722 181.870 191.022 1.00 38.79 H +ATOM 5722 HE3 TRP A 387 159.583 177.795 193.450 1.00 31.61 H +ATOM 5723 HZ2 TRP A 387 160.246 182.233 192.102 1.00 30.47 H +ATOM 5724 HZ3 TRP A 387 161.533 178.918 193.968 1.00 34.73 H +ATOM 5725 HH2 TRP A 387 161.856 181.106 193.302 1.00 32.92 H +ATOM 5726 N HIS A 388 153.491 175.942 191.709 1.00 54.66 N +ATOM 5727 CA HIS A 388 152.925 174.613 191.906 1.00 64.80 C +ATOM 5728 C HIS A 388 153.280 173.613 190.796 1.00 59.90 C +ATOM 5729 O HIS A 388 153.159 172.406 191.000 1.00 55.66 O +ATOM 5730 CB HIS A 388 151.411 174.730 192.063 1.00 53.34 C +ATOM 5731 CG HIS A 388 151.003 175.440 193.315 1.00 54.27 C +ATOM 5732 ND1 HIS A 388 150.498 176.721 193.315 1.00 56.40 N +ATOM 5733 CD2 HIS A 388 151.062 175.059 194.613 1.00 56.79 C +ATOM 5734 CE1 HIS A 388 150.248 177.093 194.558 1.00 62.86 C +ATOM 5735 NE2 HIS A 388 150.580 176.102 195.366 1.00 68.85 N +ATOM 5736 H HIS A 388 152.928 176.534 191.440 1.00 65.59 H +ATOM 5737 HA HIS A 388 153.274 174.256 192.737 1.00 77.76 H +ATOM 5738 HB2 HIS A 388 151.053 175.224 191.309 1.00 64.01 H +ATOM 5739 HB3 HIS A 388 151.027 173.839 192.086 1.00 64.01 H +ATOM 5740 HD1 HIS A 388 150.361 177.202 192.615 1.00 67.68 H +ATOM 5741 HD2 HIS A 388 151.364 174.240 194.934 1.00 68.14 H +ATOM 5742 HE1 HIS A 388 149.895 177.913 194.820 1.00 75.43 H +ATOM 5743 N PRO A 389 153.719 174.098 189.621 1.00 60.95 N +ATOM 5744 CA PRO A 389 154.293 173.138 188.673 1.00 58.56 C +ATOM 5745 C PRO A 389 155.538 172.411 189.195 1.00 54.55 C +ATOM 5746 O PRO A 389 155.950 171.426 188.586 1.00 54.90 O +ATOM 5747 CB PRO A 389 154.650 174.014 187.471 1.00 52.67 C +ATOM 5748 CG PRO A 389 153.665 175.114 187.513 1.00 52.55 C +ATOM 5749 CD PRO A 389 153.406 175.383 188.967 1.00 59.46 C +ATOM 5750 HA PRO A 389 153.626 172.485 188.407 1.00 70.28 H +ATOM 5751 HB2 PRO A 389 155.553 174.355 187.570 1.00 63.20 H +ATOM 5752 HB3 PRO A 389 154.560 173.502 186.653 1.00 63.20 H +ATOM 5753 HG2 PRO A 389 154.038 175.899 187.083 1.00 63.05 H +ATOM 5754 HG3 PRO A 389 152.849 174.836 187.068 1.00 63.05 H +ATOM 5755 HD2 PRO A 389 153.997 176.079 189.292 1.00 71.36 H +ATOM 5756 HD3 PRO A 389 152.474 175.614 189.107 1.00 71.36 H +ATOM 5757 N LEU A 390 156.131 172.892 190.283 1.00 57.56 N +ATOM 5758 CA LEU A 390 157.266 172.208 190.902 1.00 53.50 C +ATOM 5759 C LEU A 390 156.883 170.812 191.365 1.00 48.11 C +ATOM 5760 O LEU A 390 157.709 169.899 191.378 1.00 45.65 O +ATOM 5761 CB LEU A 390 157.794 172.997 192.104 1.00 52.02 C +ATOM 5762 CG LEU A 390 158.769 174.153 191.881 1.00 45.79 C +ATOM 5763 CD1 LEU A 390 159.000 174.875 193.194 1.00 42.02 C +ATOM 5764 CD2 LEU A 390 160.085 173.650 191.316 1.00 45.40 C +ATOM 5765 H LEU A 390 155.896 173.615 190.684 1.00 69.07 H +ATOM 5766 HA LEU A 390 157.983 172.127 190.254 1.00 64.20 H +ATOM 5767 HB2 LEU A 390 157.028 173.368 192.569 1.00 62.43 H +ATOM 5768 HB3 LEU A 390 158.241 172.369 192.693 1.00 62.43 H +ATOM 5769 HG LEU A 390 158.385 174.781 191.249 1.00 54.95 H +ATOM 5770 HD11 LEU A 390 159.619 175.607 193.047 1.00 50.43 H +ATOM 5771 HD12 LEU A 390 158.153 175.218 193.518 1.00 50.43 H +ATOM 5772 HD13 LEU A 390 159.372 174.250 193.836 1.00 50.43 H +ATOM 5773 HD21 LEU A 390 160.681 174.404 191.185 1.00 54.48 H +ATOM 5774 HD22 LEU A 390 160.478 173.022 191.942 1.00 54.48 H +ATOM 5775 HD23 LEU A 390 159.917 173.210 190.468 1.00 54.48 H +ATOM 5776 N LEU A 391 155.625 170.659 191.756 1.00 52.01 N +ATOM 5777 CA LEU A 391 155.183 169.456 192.443 1.00 67.61 C +ATOM 5778 C LEU A 391 155.139 168.241 191.514 1.00 64.64 C +ATOM 5779 O LEU A 391 154.721 168.355 190.363 1.00 60.69 O +ATOM 5780 CB LEU A 391 153.811 169.695 193.060 1.00 74.77 C +ATOM 5781 CG LEU A 391 153.748 170.789 194.125 1.00 69.74 C +ATOM 5782 CD1 LEU A 391 152.305 171.178 194.400 1.00 70.85 C +ATOM 5783 CD2 LEU A 391 154.429 170.328 195.407 1.00 60.53 C +ATOM 5784 H LEU A 391 155.004 171.241 191.633 1.00 62.41 H +ATOM 5785 HA LEU A 391 155.804 169.259 193.162 1.00 81.13 H +ATOM 5786 HB2 LEU A 391 153.195 169.942 192.353 1.00 89.73 H +ATOM 5787 HB3 LEU A 391 153.513 168.869 193.474 1.00 89.73 H +ATOM 5788 HG LEU A 391 154.215 171.575 193.800 1.00 83.69 H +ATOM 5789 HD11 LEU A 391 152.289 171.872 195.077 1.00 85.02 H +ATOM 5790 HD12 LEU A 391 151.905 171.505 193.579 1.00 85.02 H +ATOM 5791 HD13 LEU A 391 151.823 170.397 194.715 1.00 85.02 H +ATOM 5792 HD21 LEU A 391 154.376 171.038 196.066 1.00 72.64 H +ATOM 5793 HD22 LEU A 391 153.977 169.535 195.737 1.00 72.64 H +ATOM 5794 HD23 LEU A 391 155.357 170.123 195.215 1.00 72.64 H +ATOM 5795 N PRO A 392 155.564 167.066 192.014 1.00 63.55 N +ATOM 5796 CA PRO A 392 155.579 165.850 191.193 1.00 70.05 C +ATOM 5797 C PRO A 392 154.204 165.198 191.087 1.00 65.18 C +ATOM 5798 O PRO A 392 153.240 165.707 191.655 1.00 63.21 O +ATOM 5799 CB PRO A 392 156.556 164.946 191.943 1.00 68.31 C +ATOM 5800 CG PRO A 392 156.388 165.338 193.371 1.00 71.26 C +ATOM 5801 CD PRO A 392 156.048 166.805 193.383 1.00 60.90 C +ATOM 5802 HA PRO A 392 155.922 166.039 190.306 1.00 84.06 H +ATOM 5803 HB2 PRO A 392 156.315 164.016 191.809 1.00 81.97 H +ATOM 5804 HB3 PRO A 392 157.462 165.117 191.641 1.00 81.97 H +ATOM 5805 HG2 PRO A 392 155.667 164.821 193.764 1.00 85.52 H +ATOM 5806 HG3 PRO A 392 157.217 165.179 193.849 1.00 85.52 H +ATOM 5807 HD2 PRO A 392 155.346 166.984 194.028 1.00 73.08 H +ATOM 5808 HD3 PRO A 392 156.841 167.333 193.566 1.00 73.08 H +ATOM 5809 N ASP A 393 154.119 164.085 190.365 1.00 62.26 N +ATOM 5810 CA ASP A 393 152.872 163.335 190.259 1.00 61.51 C +ATOM 5811 C ASP A 393 152.664 162.498 191.515 1.00 58.90 C +ATOM 5812 O ASP A 393 151.546 162.371 192.011 1.00 59.56 O +ATOM 5813 CB ASP A 393 152.879 162.441 189.019 1.00 63.49 C +ATOM 5814 CG ASP A 393 152.957 163.232 187.731 1.00 66.18 C +ATOM 5815 OD1 ASP A 393 152.315 164.300 187.645 1.00 63.21 O +ATOM 5816 OD2 ASP A 393 153.664 162.787 186.804 1.00 63.03 O +ATOM 5817 H ASP A 393 154.773 163.741 189.924 1.00 74.71 H +ATOM 5818 HA ASP A 393 152.131 163.956 190.181 1.00 73.81 H +ATOM 5819 HB2 ASP A 393 153.650 161.853 189.058 1.00 76.19 H +ATOM 5820 HB3 ASP A 393 152.062 161.918 189.002 1.00 76.19 H +ATOM 5821 N THR A 394 153.754 161.924 192.013 1.00 56.67 N +ATOM 5822 CA THR A 394 153.748 161.204 193.280 1.00 58.93 C +ATOM 5823 C THR A 394 154.969 161.604 194.094 1.00 56.13 C +ATOM 5824 O THR A 394 155.959 162.082 193.543 1.00 58.42 O +ATOM 5825 CB THR A 394 153.753 159.674 193.083 1.00 67.17 C +ATOM 5826 OG1 THR A 394 154.973 159.274 192.446 1.00 70.39 O +ATOM 5827 CG2 THR A 394 152.571 159.236 192.235 1.00 73.01 C +ATOM 5828 H THR A 394 154.523 161.939 191.629 1.00 68.00 H +ATOM 5829 HA THR A 394 152.954 161.444 193.783 1.00 70.71 H +ATOM 5830 HB THR A 394 153.686 159.240 193.947 1.00 80.61 H +ATOM 5831 HG1 THR A 394 154.980 158.442 192.336 1.00 84.47 H +ATOM 5832 HG21 THR A 394 152.586 158.273 192.119 1.00 87.61 H +ATOM 5833 HG22 THR A 394 151.741 159.488 192.669 1.00 87.61 H +ATOM 5834 HG23 THR A 394 152.613 159.660 191.364 1.00 87.61 H +ATOM 5835 N PHE A 395 154.889 161.411 195.405 1.00 48.84 N +ATOM 5836 CA PHE A 395 156.012 161.677 196.294 1.00 61.76 C +ATOM 5837 C PHE A 395 156.695 160.368 196.658 1.00 65.64 C +ATOM 5838 O PHE A 395 156.074 159.475 197.235 1.00 54.74 O +ATOM 5839 CB PHE A 395 155.540 162.406 197.552 1.00 58.73 C +ATOM 5840 CG PHE A 395 154.830 163.694 197.266 1.00 53.23 C +ATOM 5841 CD1 PHE A 395 153.475 163.703 196.989 1.00 54.45 C +ATOM 5842 CD2 PHE A 395 155.518 164.894 197.266 1.00 57.75 C +ATOM 5843 CE1 PHE A 395 152.819 164.883 196.722 1.00 53.41 C +ATOM 5844 CE2 PHE A 395 154.864 166.079 196.999 1.00 61.68 C +ATOM 5845 CZ PHE A 395 153.512 166.073 196.727 1.00 55.64 C +ATOM 5846 H PHE A 395 154.187 161.122 195.809 1.00 58.61 H +ATOM 5847 HA PHE A 395 156.656 162.241 195.838 1.00 74.11 H +ATOM 5848 HB2 PHE A 395 154.929 161.831 198.037 1.00 70.48 H +ATOM 5849 HB3 PHE A 395 156.311 162.608 198.105 1.00 70.48 H +ATOM 5850 HD1 PHE A 395 153.002 162.903 196.985 1.00 65.34 H +ATOM 5851 HD2 PHE A 395 156.429 164.903 197.449 1.00 69.31 H +ATOM 5852 HE1 PHE A 395 151.907 164.877 196.539 1.00 64.10 H +ATOM 5853 HE2 PHE A 395 155.334 166.881 197.003 1.00 74.02 H +ATOM 5854 HZ PHE A 395 153.070 166.871 196.547 1.00 66.77 H +ATOM 5855 N GLN A 396 157.974 160.261 196.311 1.00 65.01 N +ATOM 5856 CA GLN A 396 158.722 159.026 196.515 1.00 63.17 C +ATOM 5857 C GLN A 396 159.658 159.117 197.713 1.00 58.13 C +ATOM 5858 O GLN A 396 160.744 159.683 197.614 1.00 59.52 O +ATOM 5859 CB GLN A 396 159.523 158.676 195.262 1.00 64.98 C +ATOM 5860 CG GLN A 396 158.659 158.266 194.078 1.00 68.77 C +ATOM 5861 CD GLN A 396 158.825 159.182 192.881 1.00 74.46 C +ATOM 5862 OE1 GLN A 396 159.941 159.559 192.521 1.00 67.61 O +ATOM 5863 NE2 GLN A 396 157.711 159.547 192.258 1.00 70.11 N +ATOM 5864 H GLN A 396 158.433 160.893 195.952 1.00 78.01 H +ATOM 5865 HA GLN A 396 158.096 158.304 196.681 1.00 75.81 H +ATOM 5866 HB2 GLN A 396 160.042 159.451 194.996 1.00 77.98 H +ATOM 5867 HB3 GLN A 396 160.117 157.937 195.467 1.00 77.98 H +ATOM 5868 HG2 GLN A 396 158.905 157.368 193.804 1.00 82.52 H +ATOM 5869 HG3 GLN A 396 157.727 158.287 194.345 1.00 82.52 H +ATOM 5870 HE21 GLN A 396 156.949 159.264 192.539 1.00 84.13 H +ATOM 5871 HE22 GLN A 396 157.751 160.066 191.574 1.00 84.13 H +ATOM 5872 N ILE A 397 159.227 158.557 198.840 1.00 61.97 N +ATOM 5873 CA ILE A 397 160.069 158.448 200.029 1.00 70.51 C +ATOM 5874 C ILE A 397 160.613 157.030 200.128 1.00 72.69 C +ATOM 5875 O ILE A 397 159.848 156.077 200.262 1.00 69.18 O +ATOM 5876 CB ILE A 397 159.307 158.776 201.327 1.00 70.28 C +ATOM 5877 CG1 ILE A 397 158.268 159.879 201.097 1.00 62.37 C +ATOM 5878 CG2 ILE A 397 160.292 159.161 202.426 1.00 55.57 C +ATOM 5879 CD1 ILE A 397 158.845 161.177 200.605 1.00 88.86 C +ATOM 5880 H ILE A 397 158.439 158.228 198.943 1.00 74.36 H +ATOM 5881 HA ILE A 397 160.818 159.060 199.950 1.00 84.61 H +ATOM 5882 HB ILE A 397 158.838 157.976 201.611 1.00 84.34 H +ATOM 5883 HG12 ILE A 397 157.629 159.571 200.436 1.00 74.85 H +ATOM 5884 HG13 ILE A 397 157.813 160.057 201.935 1.00 74.85 H +ATOM 5885 HG21 ILE A 397 159.797 159.365 203.235 1.00 66.68 H +ATOM 5886 HG22 ILE A 397 160.895 158.418 202.584 1.00 66.68 H +ATOM 5887 HG23 ILE A 397 160.794 159.941 202.140 1.00 66.68 H +ATOM 5888 HD11 ILE A 397 158.125 161.817 200.486 1.00106.63 H +ATOM 5889 HD12 ILE A 397 159.478 161.510 201.261 1.00106.63 H +ATOM 5890 HD13 ILE A 397 159.294 161.023 199.760 1.00106.63 H +ATOM 5891 N HIS A 398 161.934 156.898 200.067 1.00 75.64 N +ATOM 5892 CA HIS A 398 162.575 155.590 200.089 1.00 74.87 C +ATOM 5893 C HIS A 398 162.058 154.762 198.905 1.00 79.31 C +ATOM 5894 O HIS A 398 162.044 155.248 197.775 1.00 78.31 O +ATOM 5895 CB HIS A 398 162.323 154.893 201.431 1.00 68.03 C +ATOM 5896 CG HIS A 398 163.341 153.851 201.774 1.00 78.34 C +ATOM 5897 ND1 HIS A 398 164.695 154.053 201.616 1.00 77.04 N +ATOM 5898 CD2 HIS A 398 163.205 152.601 202.277 1.00 70.45 C +ATOM 5899 CE1 HIS A 398 165.349 152.972 202.001 1.00 80.52 C +ATOM 5900 NE2 HIS A 398 164.468 152.076 202.407 1.00 79.01 N +ATOM 5901 H HIS A 398 162.484 157.556 200.012 1.00 90.76 H +ATOM 5902 HA HIS A 398 163.533 155.704 199.984 1.00 89.85 H +ATOM 5903 HB2 HIS A 398 162.332 155.560 202.136 1.00 81.64 H +ATOM 5904 HB3 HIS A 398 161.455 154.461 201.399 1.00 81.64 H +ATOM 5905 HD1 HIS A 398 165.058 154.771 201.311 1.00 92.45 H +ATOM 5906 HD2 HIS A 398 162.406 152.176 202.492 1.00 84.54 H +ATOM 5907 HE1 HIS A 398 166.272 152.861 201.989 1.00 96.62 H +ATOM 5908 N ASP A 399 161.629 153.528 199.154 1.00 75.81 N +ATOM 5909 CA ASP A 399 161.113 152.665 198.094 1.00 69.16 C +ATOM 5910 C ASP A 399 159.583 152.687 198.032 1.00 68.96 C +ATOM 5911 O ASP A 399 158.958 151.700 197.640 1.00 81.51 O +ATOM 5912 CB ASP A 399 161.604 151.229 198.295 1.00 70.95 C +ATOM 5913 CG ASP A 399 161.319 150.704 199.691 1.00 93.33 C +ATOM 5914 OD1 ASP A 399 160.663 151.420 200.476 1.00 84.47 O +ATOM 5915 OD2 ASP A 399 161.748 149.572 200.000 1.00 93.66 O +ATOM 5916 H ASP A 399 161.626 153.165 199.934 1.00 90.97 H +ATOM 5917 HA ASP A 399 161.450 152.979 197.241 1.00 82.99 H +ATOM 5918 HB2 ASP A 399 161.157 150.650 197.659 1.00 85.14 H +ATOM 5919 HB3 ASP A 399 162.563 151.200 198.154 1.00 85.14 H +ATOM 5920 N GLN A 400 158.987 153.813 198.419 1.00 76.95 N +ATOM 5921 CA GLN A 400 157.533 153.959 198.415 1.00 61.32 C +ATOM 5922 C GLN A 400 157.084 155.160 197.596 1.00 49.80 C +ATOM 5923 O GLN A 400 157.759 156.181 197.564 1.00 55.67 O +ATOM 5924 CB GLN A 400 157.001 154.096 199.841 1.00 53.95 C +ATOM 5925 CG GLN A 400 157.292 152.900 200.726 1.00 62.46 C +ATOM 5926 CD GLN A 400 156.127 152.552 201.629 1.00 63.76 C +ATOM 5927 OE1 GLN A 400 155.020 152.286 201.158 1.00 69.60 O +ATOM 5928 NE2 GLN A 400 156.368 152.557 202.934 1.00 64.72 N +ATOM 5929 H GLN A 400 159.406 154.513 198.690 1.00 92.34 H +ATOM 5930 HA GLN A 400 157.137 153.164 198.023 1.00 73.59 H +ATOM 5931 HB2 GLN A 400 157.408 154.875 200.252 1.00 64.75 H +ATOM 5932 HB3 GLN A 400 156.038 154.210 199.805 1.00 64.75 H +ATOM 5933 HG2 GLN A 400 157.480 152.130 200.167 1.00 74.96 H +ATOM 5934 HG3 GLN A 400 158.059 153.099 201.286 1.00 74.96 H +ATOM 5935 HE21 GLN A 400 157.153 152.750 203.226 1.00 77.67 H +ATOM 5936 HE22 GLN A 400 155.739 152.366 203.488 1.00 77.67 H +ATOM 5937 N LYS A 401 155.941 155.016 196.933 1.00 51.62 N +ATOM 5938 CA LYS A 401 155.289 156.116 196.232 1.00 60.37 C +ATOM 5939 C LYS A 401 154.053 156.553 197.010 1.00 69.26 C +ATOM 5940 O LYS A 401 153.342 155.720 197.571 1.00 60.90 O +ATOM 5941 CB LYS A 401 154.894 155.707 194.810 1.00 56.97 C +ATOM 5942 CG LYS A 401 156.021 155.756 193.788 1.00 64.51 C +ATOM 5943 CD LYS A 401 155.586 155.114 192.476 1.00 77.16 C +ATOM 5944 CE LYS A 401 156.591 155.347 191.357 1.00 82.72 C +ATOM 5945 NZ LYS A 401 156.495 156.718 190.782 1.00 81.57 N +ATOM 5946 H LYS A 401 155.514 154.272 196.874 1.00 61.94 H +ATOM 5947 HA LYS A 401 155.899 156.869 196.177 1.00 72.44 H +ATOM 5948 HB2 LYS A 401 154.559 154.797 194.833 1.00 68.36 H +ATOM 5949 HB3 LYS A 401 154.194 156.303 194.501 1.00 68.36 H +ATOM 5950 HG2 LYS A 401 156.258 156.681 193.613 1.00 77.42 H +ATOM 5951 HG3 LYS A 401 156.787 155.269 194.129 1.00 77.42 H +ATOM 5952 HD2 LYS A 401 155.496 154.156 192.606 1.00 92.59 H +ATOM 5953 HD3 LYS A 401 154.736 155.494 192.202 1.00 92.59 H +ATOM 5954 HE2 LYS A 401 157.488 155.229 191.707 1.00 99.26 H +ATOM 5955 HE3 LYS A 401 156.425 154.709 190.644 1.00 99.26 H +ATOM 5956 HZ1 LYS A 401 157.095 156.818 190.133 1.00 97.88 H +ATOM 5957 HZ2 LYS A 401 155.681 156.851 190.447 1.00 97.88 H +ATOM 5958 HZ3 LYS A 401 156.649 157.324 191.415 1.00 97.88 H +ATOM 5959 N TYR A 402 153.810 157.859 197.051 1.00 68.97 N +ATOM 5960 CA TYR A 402 152.614 158.405 197.683 1.00 61.52 C +ATOM 5961 C TYR A 402 151.923 159.391 196.757 1.00 58.71 C +ATOM 5962 O TYR A 402 152.540 160.347 196.290 1.00 56.44 O +ATOM 5963 CB TYR A 402 152.955 159.109 198.998 1.00 67.10 C +ATOM 5964 CG TYR A 402 153.558 158.221 200.059 1.00 65.20 C +ATOM 5965 CD1 TYR A 402 152.766 157.344 200.788 1.00 75.85 C +ATOM 5966 CD2 TYR A 402 154.914 158.275 200.347 1.00 64.50 C +ATOM 5967 CE1 TYR A 402 153.311 156.537 201.764 1.00 63.78 C +ATOM 5968 CE2 TYR A 402 155.467 157.472 201.322 1.00 62.78 C +ATOM 5969 CZ TYR A 402 154.659 156.607 202.026 1.00 64.89 C +ATOM 5970 OH TYR A 402 155.199 155.803 202.999 1.00 64.48 O +ATOM 5971 H TYR A 402 154.330 158.457 196.716 1.00 82.77 H +ATOM 5972 HA TYR A 402 151.996 157.682 197.876 1.00 73.83 H +ATOM 5973 HB2 TYR A 402 153.592 159.817 198.813 1.00 80.52 H +ATOM 5974 HB3 TYR A 402 152.142 159.491 199.364 1.00 80.52 H +ATOM 5975 HD1 TYR A 402 151.854 157.296 200.611 1.00 91.02 H +ATOM 5976 HD2 TYR A 402 155.460 158.859 199.872 1.00 77.40 H +ATOM 5977 HE1 TYR A 402 152.770 155.951 202.243 1.00 76.53 H +ATOM 5978 HE2 TYR A 402 156.378 157.515 201.503 1.00 75.33 H +ATOM 5979 HH TYR A 402 156.025 155.942 203.060 1.00 77.37 H +ATOM 5980 N ASN A 403 150.642 159.161 196.492 1.00 61.38 N +ATOM 5981 CA ASN A 403 149.834 160.153 195.800 1.00 59.15 C +ATOM 5982 C ASN A 403 149.440 161.240 196.791 1.00 59.52 C +ATOM 5983 O ASN A 403 149.778 161.162 197.971 1.00 55.11 O +ATOM 5984 CB ASN A 403 148.595 159.519 195.164 1.00 65.86 C +ATOM 5985 CG ASN A 403 147.719 158.803 196.170 1.00 69.36 C +ATOM 5986 OD1 ASN A 403 147.122 159.426 197.045 1.00 68.85 O +ATOM 5987 ND2 ASN A 403 147.625 157.484 196.038 1.00 67.84 N +ATOM 5988 H ASN A 403 150.219 158.442 196.702 1.00 73.65 H +ATOM 5989 HA ASN A 403 150.362 160.560 195.096 1.00 70.98 H +ATOM 5990 HB2 ASN A 403 148.063 160.215 194.746 1.00 79.03 H +ATOM 5991 HB3 ASN A 403 148.877 158.873 194.498 1.00 79.03 H +ATOM 5992 HD21 ASN A 403 147.140 157.031 196.585 1.00 81.41 H +ATOM 5993 HD22 ASN A 403 148.049 157.084 195.406 1.00 81.41 H +ATOM 5994 N TYR A 404 148.721 162.249 196.317 1.00 55.81 N +ATOM 5995 CA TYR A 404 148.408 163.409 197.141 1.00 62.43 C +ATOM 5996 C TYR A 404 147.429 163.098 198.271 1.00 57.45 C +ATOM 5997 O TYR A 404 147.528 163.681 199.352 1.00 50.91 O +ATOM 5998 CB TYR A 404 147.857 164.532 196.264 1.00 60.10 C +ATOM 5999 CG TYR A 404 148.938 165.236 195.486 1.00 61.99 C +ATOM 6000 CD1 TYR A 404 149.530 164.631 194.388 1.00 64.56 C +ATOM 6001 CD2 TYR A 404 149.383 166.495 195.861 1.00 62.96 C +ATOM 6002 CE1 TYR A 404 150.524 165.263 193.680 1.00 60.88 C +ATOM 6003 CE2 TYR A 404 150.378 167.136 195.156 1.00 64.93 C +ATOM 6004 CZ TYR A 404 150.944 166.513 194.067 1.00 69.39 C +ATOM 6005 OH TYR A 404 151.935 167.141 193.357 1.00 70.76 O +ATOM 6006 H TYR A 404 148.402 162.287 195.519 1.00 66.97 H +ATOM 6007 HA TYR A 404 149.229 163.730 197.546 1.00 74.91 H +ATOM 6008 HB2 TYR A 404 147.225 164.158 195.631 1.00 72.12 H +ATOM 6009 HB3 TYR A 404 147.417 165.187 196.828 1.00 72.12 H +ATOM 6010 HD1 TYR A 404 149.248 163.785 194.124 1.00 77.47 H +ATOM 6011 HD2 TYR A 404 149.000 166.916 196.597 1.00 75.55 H +ATOM 6012 HE1 TYR A 404 150.910 164.847 192.942 1.00 73.06 H +ATOM 6013 HE2 TYR A 404 150.666 167.982 195.414 1.00 77.92 H +ATOM 6014 HH TYR A 404 152.187 166.653 192.723 1.00 84.91 H +ATOM 6015 N GLN A 405 146.493 162.188 198.026 1.00 62.59 N +ATOM 6016 CA GLN A 405 145.533 161.793 199.053 1.00 61.26 C +ATOM 6017 C GLN A 405 146.246 161.160 200.243 1.00 59.93 C +ATOM 6018 O GLN A 405 145.857 161.368 201.391 1.00 48.48 O +ATOM 6019 CB GLN A 405 144.498 160.819 198.486 1.00 66.12 C +ATOM 6020 CG GLN A 405 143.546 161.440 197.481 1.00 81.46 C +ATOM 6021 CD GLN A 405 142.520 160.451 196.965 1.00 83.49 C +ATOM 6022 OE1 GLN A 405 142.868 159.400 196.426 1.00 66.55 O +ATOM 6023 NE2 GLN A 405 141.244 160.780 197.132 1.00 91.71 N +ATOM 6024 H GLN A 405 146.392 161.783 197.274 1.00 75.11 H +ATOM 6025 HA GLN A 405 145.064 162.582 199.368 1.00 73.51 H +ATOM 6026 HB2 GLN A 405 144.964 160.094 198.043 1.00 79.35 H +ATOM 6027 HB3 GLN A 405 143.967 160.469 199.218 1.00 79.35 H +ATOM 6028 HG2 GLN A 405 143.071 162.172 197.905 1.00 97.75 H +ATOM 6029 HG3 GLN A 405 144.055 161.768 196.723 1.00 97.75 H +ATOM 6030 HE21 GLN A 405 141.038 161.522 197.517 1.00110.06 H +ATOM 6031 HE22 GLN A 405 140.624 160.252 196.857 1.00110.06 H +ATOM 6032 N GLN A 406 147.292 160.393 199.957 1.00 58.79 N +ATOM 6033 CA GLN A 406 148.055 159.708 200.993 1.00 61.38 C +ATOM 6034 C GLN A 406 149.043 160.635 201.698 1.00 66.31 C +ATOM 6035 O GLN A 406 149.357 160.445 202.873 1.00 55.81 O +ATOM 6036 CB GLN A 406 148.821 158.529 200.393 1.00 64.18 C +ATOM 6037 CG GLN A 406 147.954 157.475 199.736 1.00 59.29 C +ATOM 6038 CD GLN A 406 148.773 156.440 198.993 1.00 64.61 C +ATOM 6039 OE1 GLN A 406 149.149 156.641 197.839 1.00 68.79 O +ATOM 6040 NE2 GLN A 406 149.062 155.327 199.656 1.00 79.59 N +ATOM 6041 H GLN A 406 147.584 160.252 199.160 1.00 70.55 H +ATOM 6042 HA GLN A 406 147.442 159.361 201.660 1.00 73.66 H +ATOM 6043 HB2 GLN A 406 149.432 158.867 199.719 1.00 77.02 H +ATOM 6044 HB3 GLN A 406 149.324 158.095 201.100 1.00 77.02 H +ATOM 6045 HG2 GLN A 406 147.437 157.019 200.418 1.00 71.15 H +ATOM 6046 HG3 GLN A 406 147.361 157.904 199.099 1.00 71.15 H +ATOM 6047 HE21 GLN A 406 148.786 155.224 200.464 1.00 95.51 H +ATOM 6048 HE22 GLN A 406 149.524 154.709 199.278 1.00 95.51 H +ATOM 6049 N PHE A 407 149.530 161.633 200.970 1.00 62.42 N +ATOM 6050 CA PHE A 407 150.666 162.428 201.416 1.00 56.75 C +ATOM 6051 C PHE A 407 150.255 163.626 202.269 1.00 46.96 C +ATOM 6052 O PHE A 407 150.936 163.969 203.232 1.00 44.68 O +ATOM 6053 CB PHE A 407 151.463 162.904 200.198 1.00 59.24 C +ATOM 6054 CG PHE A 407 152.806 163.488 200.536 1.00 52.10 C +ATOM 6055 CD1 PHE A 407 153.808 162.693 201.065 1.00 46.70 C +ATOM 6056 CD2 PHE A 407 153.071 164.827 200.304 1.00 52.00 C +ATOM 6057 CE1 PHE A 407 155.043 163.225 201.368 1.00 49.44 C +ATOM 6058 CE2 PHE A 407 154.308 165.363 200.604 1.00 49.18 C +ATOM 6059 CZ PHE A 407 155.293 164.561 201.137 1.00 52.45 C +ATOM 6060 H PHE A 407 149.216 161.872 200.206 1.00 74.91 H +ATOM 6061 HA PHE A 407 151.248 161.868 201.952 1.00 68.10 H +ATOM 6062 HB2 PHE A 407 151.610 162.149 199.607 1.00 71.09 H +ATOM 6063 HB3 PHE A 407 150.951 163.587 199.737 1.00 71.09 H +ATOM 6064 HD1 PHE A 407 153.644 161.791 201.223 1.00 56.04 H +ATOM 6065 HD2 PHE A 407 152.409 165.372 199.945 1.00 62.40 H +ATOM 6066 HE1 PHE A 407 155.708 162.683 201.727 1.00 59.33 H +ATOM 6067 HE2 PHE A 407 154.475 166.264 200.449 1.00 59.02 H +ATOM 6068 HZ PHE A 407 156.126 164.921 201.341 1.00 62.94 H +ATOM 6069 N ILE A 408 149.138 164.254 201.922 1.00 51.19 N +ATOM 6070 CA ILE A 408 148.720 165.488 202.580 1.00 48.61 C +ATOM 6071 C ILE A 408 148.157 165.227 203.981 1.00 53.19 C +ATOM 6072 O ILE A 408 147.380 164.298 204.193 1.00 59.82 O +ATOM 6073 CB ILE A 408 147.685 166.238 201.707 1.00 44.86 C +ATOM 6074 CG1 ILE A 408 148.387 166.776 200.454 1.00 49.07 C +ATOM 6075 CG2 ILE A 408 147.022 167.372 202.479 1.00 54.42 C +ATOM 6076 CD1 ILE A 408 147.506 167.580 199.518 1.00 52.80 C +ATOM 6077 H ILE A 408 148.602 163.985 201.305 1.00 61.43 H +ATOM 6078 HA ILE A 408 149.494 166.064 202.677 1.00 58.33 H +ATOM 6079 HB ILE A 408 146.999 165.609 201.431 1.00 53.83 H +ATOM 6080 HG12 ILE A 408 149.117 167.349 200.733 1.00 58.88 H +ATOM 6081 HG13 ILE A 408 148.737 166.024 199.951 1.00 58.88 H +ATOM 6082 HG21 ILE A 408 146.382 167.816 201.900 1.00 65.30 H +ATOM 6083 HG22 ILE A 408 146.568 167.004 203.253 1.00 65.30 H +ATOM 6084 HG23 ILE A 408 147.704 168.001 202.763 1.00 65.30 H +ATOM 6085 HD11 ILE A 408 148.037 167.875 198.762 1.00 63.36 H +ATOM 6086 HD12 ILE A 408 146.776 167.020 199.213 1.00 63.36 H +ATOM 6087 HD13 ILE A 408 147.157 168.348 199.997 1.00 63.36 H +ATOM 6088 N TYR A 409 148.575 166.066 204.928 1.00 58.46 N +ATOM 6089 CA TYR A 409 148.168 165.979 206.335 1.00 51.15 C +ATOM 6090 C TYR A 409 148.571 164.657 206.988 1.00 50.43 C +ATOM 6091 O TYR A 409 148.057 164.302 208.048 1.00 61.44 O +ATOM 6092 CB TYR A 409 146.655 166.190 206.475 1.00 51.65 C +ATOM 6093 CG TYR A 409 146.231 167.631 206.328 1.00 57.13 C +ATOM 6094 CD1 TYR A 409 146.728 168.608 207.178 1.00 58.89 C +ATOM 6095 CD2 TYR A 409 145.326 168.011 205.350 1.00 59.25 C +ATOM 6096 CE1 TYR A 409 146.346 169.926 207.050 1.00 57.84 C +ATOM 6097 CE2 TYR A 409 144.938 169.328 205.213 1.00 65.30 C +ATOM 6098 CZ TYR A 409 145.451 170.281 206.067 1.00 62.63 C +ATOM 6099 OH TYR A 409 145.066 171.593 205.937 1.00 64.46 O +ATOM 6100 H TYR A 409 149.115 166.718 204.776 1.00 70.16 H +ATOM 6101 HA TYR A 409 148.608 166.691 206.825 1.00 61.38 H +ATOM 6102 HB2 TYR A 409 146.202 165.675 205.789 1.00 61.99 H +ATOM 6103 HB3 TYR A 409 146.376 165.886 207.353 1.00 61.99 H +ATOM 6104 HD1 TYR A 409 147.336 168.370 207.841 1.00 70.66 H +ATOM 6105 HD2 TYR A 409 144.981 167.370 204.771 1.00 71.10 H +ATOM 6106 HE1 TYR A 409 146.691 170.571 207.625 1.00 69.41 H +ATOM 6107 HE2 TYR A 409 144.332 169.570 204.550 1.00 78.36 H +ATOM 6108 HH TYR A 409 144.520 171.671 205.303 1.00 77.36 H +ATOM 6109 N ASN A 410 149.514 163.952 206.371 1.00 52.69 N +ATOM 6110 CA ASN A 410 149.945 162.649 206.860 1.00 62.97 C +ATOM 6111 C ASN A 410 151.337 162.691 207.499 1.00 56.12 C +ATOM 6112 O ASN A 410 152.335 162.360 206.859 1.00 51.68 O +ATOM 6113 CB ASN A 410 149.920 161.633 205.714 1.00 64.46 C +ATOM 6114 CG ASN A 410 149.886 160.207 206.210 1.00 53.14 C +ATOM 6115 OD1 ASN A 410 150.332 159.919 207.313 1.00 54.29 O +ATOM 6116 ND2 ASN A 410 149.353 159.304 205.398 1.00 68.77 N +ATOM 6117 H ASN A 410 149.923 164.210 205.659 1.00 63.23 H +ATOM 6118 HA ASN A 410 149.319 162.348 207.537 1.00 75.56 H +ATOM 6119 HB2 ASN A 410 149.128 161.784 205.175 1.00 77.35 H +ATOM 6120 HB3 ASN A 410 150.718 161.745 205.174 1.00 77.35 H +ATOM 6121 HD21 ASN A 410 149.044 159.531 204.629 1.00 82.52 H +ATOM 6122 N ASN A 411 151.400 163.091 208.766 1.00 56.41 N +ATOM 6123 CA ASN A 411 152.670 163.140 209.487 1.00 55.93 C +ATOM 6124 C ASN A 411 153.147 161.755 209.913 1.00 52.62 C +ATOM 6125 O ASN A 411 154.275 161.602 210.382 1.00 43.88 O +ATOM 6126 CB ASN A 411 152.558 164.042 210.718 1.00 61.67 C +ATOM 6127 CG ASN A 411 152.507 165.518 210.363 1.00 51.38 C +ATOM 6128 OD1 ASN A 411 153.014 165.941 209.323 1.00 44.76 O +ATOM 6129 ND2 ASN A 411 151.900 166.311 211.237 1.00 52.62 N +ATOM 6130 H ASN A 411 150.721 163.340 209.232 1.00 67.69 H +ATOM 6131 HA ASN A 411 153.345 163.519 208.902 1.00 67.11 H +ATOM 6132 HB2 ASN A 411 151.745 163.821 211.199 1.00 74.01 H +ATOM 6133 HB3 ASN A 411 153.330 163.897 211.287 1.00 74.01 H +ATOM 6134 HD21 ASN A 411 151.843 167.156 211.084 1.00 63.15 H +ATOM 6135 HD22 ASN A 411 151.562 165.981 211.956 1.00 63.15 H +ATOM 6136 N SER A 412 152.293 160.749 209.757 1.00 50.72 N +ATOM 6137 CA SER A 412 152.692 159.374 210.030 1.00 56.12 C +ATOM 6138 C SER A 412 153.786 158.949 209.054 1.00 50.39 C +ATOM 6139 O SER A 412 154.635 158.120 209.381 1.00 45.81 O +ATOM 6140 CB SER A 412 151.496 158.425 209.935 1.00 46.60 C +ATOM 6141 OG SER A 412 151.913 157.074 210.009 1.00 56.85 O +ATOM 6142 H SER A 412 151.478 160.836 209.495 1.00 60.87 H +ATOM 6143 HA SER A 412 153.051 159.319 210.929 1.00 67.34 H +ATOM 6144 HB2 SER A 412 150.890 158.608 210.670 1.00 55.92 H +ATOM 6145 HB3 SER A 412 151.044 158.570 209.089 1.00 55.92 H +ATOM 6146 HG SER A 412 152.439 156.901 209.377 1.00 68.23 H +ATOM 6147 N ILE A 413 153.760 159.523 207.855 1.00 42.70 N +ATOM 6148 CA ILE A 413 154.792 159.256 206.866 1.00 43.39 C +ATOM 6149 C ILE A 413 156.126 159.790 207.369 1.00 45.95 C +ATOM 6150 O ILE A 413 157.173 159.186 207.137 1.00 47.32 O +ATOM 6151 CB ILE A 413 154.452 159.891 205.498 1.00 45.09 C +ATOM 6152 CG1 ILE A 413 153.163 159.276 204.942 1.00 52.02 C +ATOM 6153 CG2 ILE A 413 155.605 159.697 204.509 1.00 52.97 C +ATOM 6154 CD1 ILE A 413 152.708 159.849 203.609 1.00 47.78 C +ATOM 6155 H ILE A 413 153.152 160.072 207.591 1.00 51.24 H +ATOM 6156 HA ILE A 413 154.875 158.298 206.742 1.00 52.07 H +ATOM 6157 HB ILE A 413 154.311 160.842 205.625 1.00 54.10 H +ATOM 6158 HG12 ILE A 413 153.302 158.324 204.820 1.00 62.43 H +ATOM 6159 HG13 ILE A 413 152.449 159.422 205.583 1.00 62.43 H +ATOM 6160 HG21 ILE A 413 155.366 160.104 203.662 1.00 63.56 H +ATOM 6161 HG22 ILE A 413 156.402 160.119 204.866 1.00 63.56 H +ATOM 6162 HG23 ILE A 413 155.760 158.747 204.388 1.00 63.56 H +ATOM 6163 HD11 ILE A 413 151.891 159.403 203.337 1.00 57.34 H +ATOM 6164 HD12 ILE A 413 152.548 160.800 203.713 1.00 57.34 H +ATOM 6165 HD13 ILE A 413 153.403 159.700 202.949 1.00 57.34 H +ATOM 6166 N LEU A 414 156.082 160.920 208.066 1.00 47.72 N +ATOM 6167 CA LEU A 414 157.296 161.552 208.564 1.00 43.35 C +ATOM 6168 C LEU A 414 157.960 160.711 209.649 1.00 40.23 C +ATOM 6169 O LEU A 414 159.177 160.538 209.648 1.00 40.45 O +ATOM 6170 CB LEU A 414 156.989 162.953 209.100 1.00 53.10 C +ATOM 6171 CG LEU A 414 158.210 163.816 209.433 1.00 48.38 C +ATOM 6172 CD1 LEU A 414 159.024 164.112 208.182 1.00 53.26 C +ATOM 6173 CD2 LEU A 414 157.788 165.108 210.113 1.00 54.17 C +ATOM 6174 H LEU A 414 155.359 161.341 208.265 1.00 57.26 H +ATOM 6175 HA LEU A 414 157.926 161.644 207.831 1.00 52.03 H +ATOM 6176 HB2 LEU A 414 156.470 163.430 208.433 1.00 63.72 H +ATOM 6177 HB3 LEU A 414 156.467 162.863 209.912 1.00 63.72 H +ATOM 6178 HG LEU A 414 158.779 163.328 210.049 1.00 58.06 H +ATOM 6179 HD11 LEU A 414 159.788 164.658 208.424 1.00 63.91 H +ATOM 6180 HD12 LEU A 414 159.325 163.274 207.796 1.00 63.91 H +ATOM 6181 HD13 LEU A 414 158.465 164.587 207.547 1.00 63.91 H +ATOM 6182 HD21 LEU A 414 158.580 165.633 210.312 1.00 65.01 H +ATOM 6183 HD22 LEU A 414 157.205 165.602 209.516 1.00 65.01 H +ATOM 6184 HD23 LEU A 414 157.318 164.894 210.934 1.00 65.01 H +ATOM 6185 N LEU A 415 157.164 160.190 210.579 1.00 44.38 N +ATOM 6186 CA LEU A 415 157.697 159.359 211.654 1.00 43.69 C +ATOM 6187 C LEU A 415 158.115 157.987 211.140 1.00 41.72 C +ATOM 6188 O LEU A 415 159.084 157.408 211.624 1.00 45.73 O +ATOM 6189 CB LEU A 415 156.672 159.191 212.775 1.00 38.60 C +ATOM 6190 CG LEU A 415 156.200 160.451 213.501 1.00 44.26 C +ATOM 6191 CD1 LEU A 415 155.294 160.058 214.653 1.00 40.06 C +ATOM 6192 CD2 LEU A 415 157.373 161.281 213.998 1.00 45.93 C +ATOM 6193 H LEU A 415 156.312 160.303 210.609 1.00 53.25 H +ATOM 6194 HA LEU A 415 158.482 159.791 212.027 1.00 52.43 H +ATOM 6195 HB2 LEU A 415 155.884 158.769 212.399 1.00 46.32 H +ATOM 6196 HB3 LEU A 415 157.056 158.605 213.446 1.00 46.32 H +ATOM 6197 HG LEU A 415 155.685 160.996 212.886 1.00 53.11 H +ATOM 6198 HD11 LEU A 415 154.998 160.862 215.109 1.00 48.08 H +ATOM 6199 HD12 LEU A 415 154.529 159.576 214.302 1.00 48.08 H +ATOM 6200 HD13 LEU A 415 155.789 159.493 215.266 1.00 48.08 H +ATOM 6201 HD21 LEU A 415 157.032 162.068 214.452 1.00 55.12 H +ATOM 6202 HD22 LEU A 415 157.899 160.747 214.613 1.00 55.12 H +ATOM 6203 HD23 LEU A 415 157.916 161.545 213.240 1.00 55.12 H +ATOM 6204 N GLU A 416 157.374 157.474 210.164 1.00 41.46 N +ATOM 6205 CA GLU A 416 157.654 156.162 209.592 1.00 49.76 C +ATOM 6206 C GLU A 416 159.052 156.103 208.983 1.00 51.86 C +ATOM 6207 O GLU A 416 159.810 155.170 209.243 1.00 59.64 O +ATOM 6208 CB GLU A 416 156.606 155.812 208.531 1.00 54.63 C +ATOM 6209 CG GLU A 416 156.835 154.474 207.839 1.00 72.10 C +ATOM 6210 CD GLU A 416 155.830 154.203 206.737 1.00 82.72 C +ATOM 6211 OE1 GLU A 416 154.941 155.052 206.516 1.00 84.49 O +ATOM 6212 OE2 GLU A 416 155.930 153.140 206.090 1.00 87.96 O +ATOM 6213 H GLU A 416 156.696 157.870 209.812 1.00 49.75 H +ATOM 6214 HA GLU A 416 157.604 155.494 210.295 1.00 59.72 H +ATOM 6215 HB2 GLU A 416 155.734 155.780 208.954 1.00 65.56 H +ATOM 6216 HB3 GLU A 416 156.613 156.502 207.849 1.00 65.56 H +ATOM 6217 HG2 GLU A 416 157.721 154.470 207.444 1.00 86.52 H +ATOM 6218 HG3 GLU A 416 156.760 153.763 208.494 1.00 86.52 H +ATOM 6219 N HIS A 417 159.391 157.106 208.178 1.00 50.05 N +ATOM 6220 CA HIS A 417 160.660 157.119 207.456 1.00 47.06 C +ATOM 6221 C HIS A 417 161.754 157.889 208.193 1.00 46.53 C +ATOM 6222 O HIS A 417 162.935 157.565 208.073 1.00 50.27 O +ATOM 6223 CB HIS A 417 160.460 157.715 206.064 1.00 53.62 C +ATOM 6224 CG HIS A 417 159.618 156.866 205.165 1.00 59.82 C +ATOM 6225 ND1 HIS A 417 160.147 155.867 204.377 1.00 67.95 N +ATOM 6226 CD2 HIS A 417 158.284 156.860 204.935 1.00 58.08 C +ATOM 6227 CE1 HIS A 417 159.176 155.286 203.697 1.00 61.29 C +ATOM 6228 NE2 HIS A 417 158.036 155.868 204.019 1.00 58.52 N +ATOM 6229 H HIS A 417 158.900 157.796 208.032 1.00 60.06 H +ATOM 6230 HA HIS A 417 160.965 156.205 207.346 1.00 56.48 H +ATOM 6231 HB2 HIS A 417 160.024 158.577 206.152 1.00 64.35 H +ATOM 6232 HB3 HIS A 417 161.326 157.825 205.642 1.00 64.35 H +ATOM 6233 HD1 HIS A 417 160.980 155.657 204.333 1.00 81.54 H +ATOM 6234 HD2 HIS A 417 157.654 157.423 205.324 1.00 69.70 H +ATOM 6235 HE1 HIS A 417 159.277 154.584 203.095 1.00 73.54 H +ATOM 6236 N GLY A 418 161.359 158.906 208.951 1.00 45.52 N +ATOM 6237 CA GLY A 418 162.313 159.735 209.666 1.00 49.45 C +ATOM 6238 C GLY A 418 162.873 160.828 208.774 1.00 47.44 C +ATOM 6239 O GLY A 418 162.733 160.772 207.552 1.00 39.53 O +ATOM 6240 H GLY A 418 160.539 159.136 209.067 1.00 54.62 H +ATOM 6241 HA2 GLY A 418 161.879 160.148 210.429 1.00 59.34 H +ATOM 6242 HA3 GLY A 418 163.047 159.187 209.985 1.00 59.34 H +ATOM 6243 N ILE A 419 163.508 161.823 209.384 1.00 48.87 N +ATOM 6244 CA ILE A 419 164.005 162.983 208.649 1.00 41.52 C +ATOM 6245 C ILE A 419 165.139 162.596 207.703 1.00 43.75 C +ATOM 6246 O ILE A 419 165.184 163.065 206.568 1.00 43.21 O +ATOM 6247 CB ILE A 419 164.504 164.094 209.601 1.00 41.07 C +ATOM 6248 CG1 ILE A 419 163.390 164.534 210.564 1.00 45.34 C +ATOM 6249 CG2 ILE A 419 165.040 165.287 208.804 1.00 48.91 C +ATOM 6250 CD1 ILE A 419 162.347 165.457 209.965 1.00 42.36 C +ATOM 6251 H ILE A 419 163.666 161.851 210.229 1.00 58.65 H +ATOM 6252 HA ILE A 419 163.282 163.349 208.115 1.00 49.83 H +ATOM 6253 HB ILE A 419 165.233 163.732 210.129 1.00 49.28 H +ATOM 6254 HG12 ILE A 419 162.930 163.742 210.884 1.00 54.41 H +ATOM 6255 HG13 ILE A 419 163.796 164.998 211.312 1.00 54.41 H +ATOM 6256 HG21 ILE A 419 165.346 165.968 209.423 1.00 58.69 H +ATOM 6257 HG22 ILE A 419 165.777 164.989 208.248 1.00 58.69 H +ATOM 6258 HG23 ILE A 419 164.328 165.641 208.248 1.00 58.69 H +ATOM 6259 HD11 ILE A 419 161.692 165.677 210.646 1.00 50.83 H +ATOM 6260 HD12 ILE A 419 162.784 166.265 209.652 1.00 50.83 H +ATOM 6261 HD13 ILE A 419 161.915 165.006 209.223 1.00 50.83 H +ATOM 6262 N THR A 420 166.052 161.753 208.177 1.00 41.99 N +ATOM 6263 CA THR A 420 167.199 161.331 207.377 1.00 34.98 C +ATOM 6264 C THR A 420 166.757 160.795 206.022 1.00 42.85 C +ATOM 6265 O THR A 420 167.273 161.210 204.985 1.00 36.95 O +ATOM 6266 CB THR A 420 168.027 160.247 208.098 1.00 40.83 C +ATOM 6267 OG1 THR A 420 168.502 160.758 209.349 1.00 41.99 O +ATOM 6268 CG2 THR A 420 169.221 159.812 207.248 1.00 39.78 C +ATOM 6269 H THR A 420 166.031 161.409 208.965 1.00 50.39 H +ATOM 6270 HA THR A 420 167.775 162.096 207.223 1.00 41.98 H +ATOM 6271 HB THR A 420 167.469 159.471 208.260 1.00 48.99 H +ATOM 6272 HG1 THR A 420 168.986 161.433 209.219 1.00 50.38 H +ATOM 6273 HG21 THR A 420 169.731 159.132 207.715 1.00 47.73 H +ATOM 6274 HG22 THR A 420 168.912 159.450 206.403 1.00 47.73 H +ATOM 6275 HG23 THR A 420 169.798 160.573 207.072 1.00 47.73 H +ATOM 6276 N GLN A 421 165.796 159.877 206.035 1.00 48.12 N +ATOM 6277 CA GLN A 421 165.287 159.291 204.801 1.00 50.52 C +ATOM 6278 C GLN A 421 164.606 160.345 203.937 1.00 48.69 C +ATOM 6279 O GLN A 421 164.733 160.331 202.713 1.00 48.69 O +ATOM 6280 CB GLN A 421 164.309 158.156 205.103 1.00 51.41 C +ATOM 6281 CG GLN A 421 163.839 157.410 203.863 1.00 63.52 C +ATOM 6282 CD GLN A 421 164.947 156.601 203.223 1.00 72.15 C +ATOM 6283 OE1 GLN A 421 165.334 156.849 202.080 1.00 59.43 O +ATOM 6284 NE2 GLN A 421 165.466 155.624 203.959 1.00 73.61 N +ATOM 6285 H GLN A 421 165.420 159.576 206.748 1.00 57.74 H +ATOM 6286 HA GLN A 421 166.029 158.922 204.297 1.00 60.63 H +ATOM 6287 HB2 GLN A 421 164.743 157.515 205.688 1.00 61.69 H +ATOM 6288 HB3 GLN A 421 163.527 158.525 205.542 1.00 61.69 H +ATOM 6289 HG2 GLN A 421 163.125 156.801 204.110 1.00 76.23 H +ATOM 6290 HG3 GLN A 421 163.518 158.052 203.209 1.00 76.23 H +ATOM 6291 HE21 GLN A 421 165.170 155.480 204.753 1.00 88.33 H +ATOM 6292 HE22 GLN A 421 166.098 155.135 203.640 1.00 88.33 H +ATOM 6293 N PHE A 422 163.877 161.253 204.577 1.00 46.13 N +ATOM 6294 CA PHE A 422 163.199 162.327 203.861 1.00 46.69 C +ATOM 6295 C PHE A 422 164.197 163.163 203.072 1.00 37.67 C +ATOM 6296 O PHE A 422 163.975 163.467 201.903 1.00 39.33 O +ATOM 6297 CB PHE A 422 162.418 163.214 204.830 1.00 47.08 C +ATOM 6298 CG PHE A 422 160.938 162.980 204.801 1.00 48.18 C +ATOM 6299 CD1 PHE A 422 160.402 161.791 205.263 1.00 53.00 C +ATOM 6300 CD2 PHE A 422 160.081 163.951 204.315 1.00 59.29 C +ATOM 6301 CE1 PHE A 422 159.038 161.573 205.236 1.00 53.70 C +ATOM 6302 CE2 PHE A 422 158.718 163.740 204.288 1.00 71.06 C +ATOM 6303 CZ PHE A 422 158.195 162.550 204.749 1.00 55.47 C +ATOM 6304 H PHE A 422 163.760 161.270 205.429 1.00 55.36 H +ATOM 6305 HA PHE A 422 162.568 161.940 203.233 1.00 56.03 H +ATOM 6306 HB2 PHE A 422 162.729 163.040 205.732 1.00 56.50 H +ATOM 6307 HB3 PHE A 422 162.577 164.143 204.600 1.00 56.50 H +ATOM 6308 HD1 PHE A 422 160.967 161.129 205.592 1.00 63.60 H +ATOM 6309 HD2 PHE A 422 160.428 164.755 204.003 1.00 71.15 H +ATOM 6310 HE1 PHE A 422 158.689 160.770 205.549 1.00 64.44 H +ATOM 6311 HE2 PHE A 422 158.152 164.399 203.958 1.00 85.27 H +ATOM 6312 HZ PHE A 422 157.277 162.406 204.731 1.00 66.56 H +ATOM 6313 N VAL A 423 165.301 163.522 203.717 1.00 40.70 N +ATOM 6314 CA VAL A 423 166.352 164.288 203.062 1.00 46.93 C +ATOM 6315 C VAL A 423 166.935 163.487 201.904 1.00 43.44 C +ATOM 6316 O VAL A 423 167.059 163.995 200.791 1.00 38.80 O +ATOM 6317 CB VAL A 423 167.471 164.672 204.055 1.00 41.06 C +ATOM 6318 CG1 VAL A 423 168.631 165.357 203.337 1.00 35.51 C +ATOM 6319 CG2 VAL A 423 166.918 165.576 205.144 1.00 42.61 C +ATOM 6320 H VAL A 423 165.466 163.333 204.540 1.00 48.84 H +ATOM 6321 HA VAL A 423 165.973 165.105 202.703 1.00 56.32 H +ATOM 6322 HB VAL A 423 167.811 163.868 204.477 1.00 49.28 H +ATOM 6323 HG11 VAL A 423 169.314 165.584 203.987 1.00 42.61 H +ATOM 6324 HG12 VAL A 423 168.994 164.749 202.674 1.00 42.61 H +ATOM 6325 HG13 VAL A 423 168.304 166.161 202.905 1.00 42.61 H +ATOM 6326 HG21 VAL A 423 167.634 165.807 205.756 1.00 51.14 H +ATOM 6327 HG22 VAL A 423 166.561 166.380 204.735 1.00 51.14 H +ATOM 6328 HG23 VAL A 423 166.215 165.106 205.618 1.00 51.14 H +ATOM 6329 N GLU A 424 167.287 162.234 202.174 1.00 47.47 N +ATOM 6330 CA GLU A 424 167.859 161.356 201.157 1.00 46.94 C +ATOM 6331 C GLU A 424 166.938 161.218 199.947 1.00 46.54 C +ATOM 6332 O GLU A 424 167.399 161.176 198.807 1.00 54.35 O +ATOM 6333 CB GLU A 424 168.147 159.972 201.748 1.00 48.51 C +ATOM 6334 CG GLU A 424 169.292 159.950 202.752 1.00 50.04 C +ATOM 6335 CD GLU A 424 169.492 158.584 203.388 1.00 62.16 C +ATOM 6336 OE1 GLU A 424 168.698 157.663 203.099 1.00 57.16 O +ATOM 6337 OE2 GLU A 424 170.446 158.432 204.180 1.00 55.25 O +ATOM 6338 H GLU A 424 167.205 161.865 202.946 1.00 56.96 H +ATOM 6339 HA GLU A 424 168.700 161.732 200.852 1.00 56.33 H +ATOM 6340 HB2 GLU A 424 167.351 159.655 202.202 1.00 58.21 H +ATOM 6341 HB3 GLU A 424 168.376 159.367 201.026 1.00 58.21 H +ATOM 6342 HG2 GLU A 424 170.114 160.192 202.299 1.00 60.05 H +ATOM 6343 HG3 GLU A 424 169.103 160.585 203.460 1.00 60.05 H +ATOM 6344 N SER A 425 165.636 161.160 200.203 1.00 44.20 N +ATOM 6345 CA SER A 425 164.654 160.947 199.147 1.00 42.98 C +ATOM 6346 C SER A 425 164.357 162.225 198.360 1.00 43.00 C +ATOM 6347 O SER A 425 164.320 162.206 197.131 1.00 39.34 O +ATOM 6348 CB SER A 425 163.361 160.390 199.742 1.00 52.10 C +ATOM 6349 OG SER A 425 163.584 159.133 200.358 1.00 56.58 O +ATOM 6350 H SER A 425 165.293 161.241 200.987 1.00 53.04 H +ATOM 6351 HA SER A 425 165.002 160.290 198.525 1.00 51.57 H +ATOM 6352 HB2 SER A 425 163.027 161.012 200.408 1.00 62.52 H +ATOM 6353 HB3 SER A 425 162.709 160.283 199.033 1.00 62.52 H +ATOM 6354 HG SER A 425 164.147 159.211 200.975 1.00 67.90 H +ATOM 6355 N PHE A 426 164.139 163.328 199.069 1.00 44.63 N +ATOM 6356 CA PHE A 426 163.831 164.603 198.424 1.00 41.09 C +ATOM 6357 C PHE A 426 165.011 165.131 197.623 1.00 40.03 C +ATOM 6358 O PHE A 426 164.823 165.821 196.625 1.00 41.40 O +ATOM 6359 CB PHE A 426 163.410 165.652 199.459 1.00 44.41 C +ATOM 6360 CG PHE A 426 162.026 165.449 200.019 1.00 47.84 C +ATOM 6361 CD1 PHE A 426 161.234 164.387 199.613 1.00 55.40 C +ATOM 6362 CD2 PHE A 426 161.514 166.336 200.949 1.00 64.76 C +ATOM 6363 CE1 PHE A 426 159.966 164.211 200.129 1.00 55.93 C +ATOM 6364 CE2 PHE A 426 160.245 166.165 201.468 1.00 62.50 C +ATOM 6365 CZ PHE A 426 159.471 165.100 201.056 1.00 63.90 C +ATOM 6366 H PHE A 426 164.163 163.366 199.928 1.00 53.55 H +ATOM 6367 HA PHE A 426 163.089 164.473 197.812 1.00 49.31 H +ATOM 6368 HB2 PHE A 426 164.035 165.627 200.200 1.00 53.29 H +ATOM 6369 HB3 PHE A 426 163.433 166.528 199.041 1.00 53.29 H +ATOM 6370 HD1 PHE A 426 161.563 163.782 198.987 1.00 66.47 H +ATOM 6371 HD2 PHE A 426 162.032 167.056 201.231 1.00 77.71 H +ATOM 6372 HE1 PHE A 426 159.446 163.493 199.850 1.00 67.12 H +ATOM 6373 HE2 PHE A 426 159.913 166.767 202.095 1.00 75.00 H +ATOM 6374 HZ PHE A 426 158.617 164.983 201.405 1.00 76.68 H +ATOM 6375 N THR A 427 166.225 164.811 198.058 1.00 41.43 N +ATOM 6376 CA THR A 427 167.421 165.244 197.349 1.00 44.37 C +ATOM 6377 C THR A 427 167.497 164.598 195.968 1.00 47.95 C +ATOM 6378 O THR A 427 167.976 165.210 195.014 1.00 43.12 O +ATOM 6379 CB THR A 427 168.698 164.900 198.137 1.00 44.17 C +ATOM 6380 OG1 THR A 427 168.602 165.435 199.463 1.00 43.63 O +ATOM 6381 CG2 THR A 427 169.936 165.472 197.451 1.00 41.28 C +ATOM 6382 H THR A 427 166.382 164.343 198.762 1.00 49.71 H +ATOM 6383 HA THR A 427 167.389 166.206 197.231 1.00 53.24 H +ATOM 6384 HB THR A 427 168.795 163.936 198.187 1.00 53.01 H +ATOM 6385 HG1 THR A 427 167.937 165.107 199.858 1.00 52.36 H +ATOM 6386 HG21 THR A 427 170.731 165.247 197.960 1.00 49.53 H +ATOM 6387 HG22 THR A 427 170.019 165.105 196.557 1.00 49.53 H +ATOM 6388 HG23 THR A 427 169.864 166.438 197.390 1.00 49.53 H +ATOM 6389 N ARG A 428 167.011 163.364 195.870 1.00 47.91 N +ATOM 6390 CA ARG A 428 167.121 162.582 194.641 1.00 47.52 C +ATOM 6391 C ARG A 428 165.929 162.761 193.701 1.00 49.55 C +ATOM 6392 O ARG A 428 166.033 162.465 192.511 1.00 50.86 O +ATOM 6393 CB ARG A 428 167.275 161.096 194.976 1.00 51.41 C +ATOM 6394 CG ARG A 428 168.577 160.745 195.684 1.00 60.88 C +ATOM 6395 CD ARG A 428 168.615 159.273 196.057 1.00 84.83 C +ATOM 6396 NE ARG A 428 167.565 158.929 197.019 1.00 83.35 N +ATOM 6397 CZ ARG A 428 166.814 157.831 196.977 1.00 92.42 C +ATOM 6398 NH1 ARG A 428 166.972 156.931 196.014 1.00103.49 N +ATOM 6399 NH2 ARG A 428 165.892 157.630 197.909 1.00 92.22 N +ATOM 6400 H ARG A 428 166.609 162.953 196.508 1.00 57.49 H +ATOM 6401 HA ARG A 428 167.918 162.862 194.164 1.00 57.02 H +ATOM 6402 HB2 ARG A 428 166.544 160.831 195.555 1.00 61.69 H +ATOM 6403 HB3 ARG A 428 167.241 160.587 194.151 1.00 61.69 H +ATOM 6404 HG2 ARG A 428 169.324 160.929 195.093 1.00 73.05 H +ATOM 6405 HG3 ARG A 428 168.653 161.268 196.497 1.00 73.05 H +ATOM 6406 HD2 ARG A 428 168.482 158.738 195.259 1.00101.80 H +ATOM 6407 HD3 ARG A 428 169.473 159.068 196.459 1.00101.80 H +ATOM 6408 HE ARG A 428 167.423 159.481 197.663 1.00100.03 H +ATOM 6409 HH11 ARG A 428 167.567 157.053 195.405 1.00124.19 H +ATOM 6410 HH12 ARG A 428 166.479 156.227 195.999 1.00124.19 H +ATOM 6411 HH21 ARG A 428 165.782 158.207 198.537 1.00110.66 H +ATOM 6412 HH22 ARG A 428 165.404 156.922 197.886 1.00110.66 H +ATOM 6413 N GLN A 429 164.801 163.233 194.228 1.00 42.42 N +ATOM 6414 CA GLN A 429 163.604 163.401 193.407 1.00 37.91 C +ATOM 6415 C GLN A 429 163.593 164.749 192.700 1.00 51.06 C +ATOM 6416 O GLN A 429 163.823 165.786 193.317 1.00 54.02 O +ATOM 6417 CB GLN A 429 162.334 163.254 194.247 1.00 47.71 C +ATOM 6418 CG GLN A 429 161.067 163.536 193.444 1.00 57.89 C +ATOM 6419 CD GLN A 429 159.837 162.843 193.996 1.00 59.19 C +ATOM 6420 OE1 GLN A 429 159.827 162.373 195.132 1.00 55.42 O +ATOM 6421 NE2 GLN A 429 158.789 162.775 193.184 1.00 61.36 N +ATOM 6422 H GLN A 429 164.703 163.461 195.051 1.00 50.90 H +ATOM 6423 HA GLN A 429 163.591 162.709 192.727 1.00 45.49 H +ATOM 6424 HB2 GLN A 429 162.280 162.347 194.586 1.00 57.25 H +ATOM 6425 HB3 GLN A 429 162.368 163.883 194.985 1.00 57.25 H +ATOM 6426 HG2 GLN A 429 160.898 164.491 193.450 1.00 69.47 H +ATOM 6427 HG3 GLN A 429 161.198 163.229 192.534 1.00 69.47 H +ATOM 6428 HE21 GLN A 429 158.833 163.113 192.395 1.00 73.63 H +ATOM 6429 HE22 GLN A 429 158.065 162.392 193.447 1.00 73.63 H +ATOM 6430 N ILE A 430 163.308 164.720 191.404 1.00 55.79 N +ATOM 6431 CA ILE A 430 163.312 165.917 190.573 1.00 54.01 C +ATOM 6432 C ILE A 430 161.996 166.683 190.698 1.00 49.27 C +ATOM 6433 O ILE A 430 160.930 166.084 190.831 1.00 46.38 O +ATOM 6434 CB ILE A 430 163.566 165.549 189.086 1.00 51.09 C +ATOM 6435 CG1 ILE A 430 163.871 166.793 188.251 1.00 56.23 C +ATOM 6436 CG2 ILE A 430 162.382 164.779 188.498 1.00 44.89 C +ATOM 6437 CD1 ILE A 430 165.263 167.315 188.425 1.00 51.46 C +ATOM 6438 H ILE A 430 163.106 164.003 190.973 1.00 66.95 H +ATOM 6439 HA ILE A 430 164.029 166.501 190.864 1.00 64.81 H +ATOM 6440 HB ILE A 430 164.343 164.970 189.052 1.00 61.30 H +ATOM 6441 HG12 ILE A 430 163.751 166.577 187.313 1.00 67.48 H +ATOM 6442 HG13 ILE A 430 163.256 167.499 188.507 1.00 67.48 H +ATOM 6443 HG21 ILE A 430 162.574 164.566 187.571 1.00 53.87 H +ATOM 6444 HG22 ILE A 430 162.254 163.963 189.006 1.00 53.87 H +ATOM 6445 HG23 ILE A 430 161.588 165.332 188.554 1.00 53.87 H +ATOM 6446 HD11 ILE A 430 165.378 168.100 187.867 1.00 61.75 H +ATOM 6447 HD12 ILE A 430 165.398 167.549 189.357 1.00 61.75 H +ATOM 6448 HD13 ILE A 430 165.894 166.627 188.162 1.00 61.75 H +ATOM 6449 N ALA A 431 162.082 168.010 190.664 1.00 46.60 N +ATOM 6450 CA ALA A 431 160.897 168.861 190.641 1.00 46.49 C +ATOM 6451 C ALA A 431 160.503 169.166 189.199 1.00 46.99 C +ATOM 6452 O ALA A 431 161.244 168.859 188.268 1.00 52.31 O +ATOM 6453 CB ALA A 431 161.147 170.148 191.406 1.00 44.72 C +ATOM 6454 H ALA A 431 162.823 168.445 190.654 1.00 55.92 H +ATOM 6455 HA ALA A 431 160.161 168.394 191.065 1.00 55.79 H +ATOM 6456 HB1 ALA A 431 160.345 170.694 191.375 1.00 53.67 H +ATOM 6457 HB2 ALA A 431 161.363 169.931 192.327 1.00 53.67 H +ATOM 6458 HB3 ALA A 431 161.887 170.622 190.995 1.00 53.67 H +ATOM 6459 N GLY A 432 159.333 169.768 189.021 1.00 46.50 N +ATOM 6460 CA GLY A 432 158.837 170.094 187.696 1.00 48.10 C +ATOM 6461 C GLY A 432 159.213 171.499 187.270 1.00 56.21 C +ATOM 6462 O GLY A 432 159.466 172.367 188.105 1.00 54.23 O +ATOM 6463 H GLY A 432 158.804 170.000 189.659 1.00 55.80 H +ATOM 6464 HA2 GLY A 432 159.202 169.469 187.051 1.00 57.72 H +ATOM 6465 HA3 GLY A 432 157.870 170.018 187.685 1.00 57.72 H +ATOM 6466 N ARG A 433 159.246 171.720 185.960 1.00 66.44 N +ATOM 6467 CA ARG A 433 159.565 173.027 185.398 1.00 73.22 C +ATOM 6468 C ARG A 433 158.387 173.980 185.582 1.00 58.23 C +ATOM 6469 O ARG A 433 157.234 173.582 185.426 1.00 59.35 O +ATOM 6470 CB ARG A 433 159.922 172.887 183.918 1.00 68.67 C +ATOM 6471 CG ARG A 433 160.640 174.081 183.320 1.00 69.23 C +ATOM 6472 CD ARG A 433 160.985 173.818 181.865 1.00 69.14 C +ATOM 6473 NE ARG A 433 162.035 174.705 181.373 1.00 82.88 N +ATOM 6474 CZ ARG A 433 162.607 174.596 180.179 1.00 81.36 C +ATOM 6475 NH1 ARG A 433 162.235 173.635 179.344 1.00 84.10 N +ATOM 6476 NH2 ARG A 433 163.557 175.447 179.818 1.00 74.32 N +ATOM 6477 H ARG A 433 159.083 171.119 185.367 1.00 79.73 H +ATOM 6478 HA ARG A 433 160.332 173.397 185.863 1.00 87.86 H +ATOM 6479 HB2 ARG A 433 160.499 172.115 183.811 1.00 82.40 H +ATOM 6480 HB3 ARG A 433 159.104 172.755 183.414 1.00 82.40 H +ATOM 6481 HG2 ARG A 433 160.064 174.860 183.363 1.00 83.07 H +ATOM 6482 HG3 ARG A 433 161.464 174.240 183.807 1.00 83.07 H +ATOM 6483 HD2 ARG A 433 161.295 172.904 181.773 1.00 82.97 H +ATOM 6484 HD3 ARG A 433 160.194 173.958 181.321 1.00 82.97 H +ATOM 6485 HE ARG A 433 162.300 175.340 181.890 1.00 99.45 H +ATOM 6486 HH11 ARG A 433 161.620 173.080 179.574 1.00100.92 H +ATOM 6487 HH12 ARG A 433 162.608 173.567 178.572 1.00100.92 H +ATOM 6488 HH21 ARG A 433 163.801 176.071 180.356 1.00 89.19 H +ATOM 6489 HH22 ARG A 433 163.926 175.376 179.045 1.00 89.19 H +ATOM 6490 N VAL A 434 158.678 175.236 185.912 1.00 50.67 N +ATOM 6491 CA VAL A 434 157.636 176.208 186.236 1.00 59.76 C +ATOM 6492 C VAL A 434 157.174 176.983 185.004 1.00 65.96 C +ATOM 6493 O VAL A 434 155.976 177.058 184.727 1.00 64.60 O +ATOM 6494 CB VAL A 434 158.119 177.195 187.317 1.00 54.24 C +ATOM 6495 CG1 VAL A 434 157.087 178.295 187.559 1.00 47.00 C +ATOM 6496 CG2 VAL A 434 158.401 176.443 188.609 1.00 50.30 C +ATOM 6497 H VAL A 434 159.476 175.552 185.955 1.00 60.81 H +ATOM 6498 HA VAL A 434 156.868 175.734 186.592 1.00 71.71 H +ATOM 6499 HB VAL A 434 158.943 177.612 187.022 1.00 65.09 H +ATOM 6500 HG11 VAL A 434 157.421 178.897 188.242 1.00 56.40 H +ATOM 6501 HG12 VAL A 434 156.943 178.781 186.732 1.00 56.40 H +ATOM 6502 HG13 VAL A 434 156.256 177.890 187.853 1.00 56.40 H +ATOM 6503 HG21 VAL A 434 158.704 177.074 189.281 1.00 60.36 H +ATOM 6504 HG22 VAL A 434 157.586 176.009 188.906 1.00 60.36 H +ATOM 6505 HG23 VAL A 434 159.088 175.779 188.444 1.00 60.36 H +ATOM 6506 N ALA A 435 158.117 177.568 184.273 1.00 63.95 N +ATOM 6507 CA ALA A 435 157.791 178.236 183.022 1.00 61.32 C +ATOM 6508 C ALA A 435 157.650 177.192 181.920 1.00 63.33 C +ATOM 6509 O ALA A 435 158.040 176.039 182.102 1.00 58.67 O +ATOM 6510 CB ALA A 435 158.853 179.260 182.663 1.00 61.23 C +ATOM 6511 H ALA A 435 158.951 177.591 184.480 1.00 76.73 H +ATOM 6512 HA ALA A 435 156.943 178.697 183.115 1.00 73.58 H +ATOM 6513 HB1 ALA A 435 158.609 179.687 181.827 1.00 73.48 H +ATOM 6514 HB2 ALA A 435 158.905 179.921 183.371 1.00 73.48 H +ATOM 6515 HB3 ALA A 435 159.706 178.809 182.568 1.00 73.48 H +ATOM 6516 N GLY A 436 157.086 177.593 180.785 1.00 55.30 N +ATOM 6517 CA GLY A 436 156.920 176.699 179.653 1.00 67.91 C +ATOM 6518 C GLY A 436 155.497 176.195 179.500 1.00 62.88 C +ATOM 6519 O GLY A 436 155.126 175.693 178.442 1.00 77.40 O +ATOM 6520 H GLY A 436 156.788 178.388 180.648 1.00 66.36 H +ATOM 6521 HA2 GLY A 436 157.170 177.163 178.839 1.00 81.49 H +ATOM 6522 HA3 GLY A 436 157.505 175.933 179.761 1.00 81.49 H +ATOM 6523 N GLY A 437 154.706 176.316 180.561 1.00 57.30 N +ATOM 6524 CA GLY A 437 153.291 175.995 180.502 1.00 54.68 C +ATOM 6525 C GLY A 437 152.959 174.526 180.686 1.00 46.00 C +ATOM 6526 O GLY A 437 153.832 173.663 180.612 1.00 45.29 O +ATOM 6527 H GLY A 437 154.970 176.585 181.334 1.00 68.76 H +ATOM 6528 HA2 GLY A 437 152.826 176.494 181.191 1.00 65.61 H +ATOM 6529 HA3 GLY A 437 152.941 176.274 179.641 1.00 65.61 H +ATOM 6530 N ARG A 438 151.680 174.262 180.943 1.00 58.04 N +ATOM 6531 CA ARG A 438 151.128 172.908 181.016 1.00 62.96 C +ATOM 6532 C ARG A 438 151.944 171.954 181.882 1.00 56.36 C +ATOM 6533 O ARG A 438 152.415 170.924 181.402 1.00 62.36 O +ATOM 6534 CB ARG A 438 150.995 172.330 179.605 1.00 76.62 C +ATOM 6535 CG ARG A 438 150.025 173.104 178.734 1.00 70.96 C +ATOM 6536 CD ARG A 438 150.044 172.654 177.293 1.00 80.13 C +ATOM 6537 NE ARG A 438 149.056 173.388 176.507 1.00 93.05 N +ATOM 6538 CZ ARG A 438 148.819 173.187 175.216 1.00 90.47 C +ATOM 6539 NH1 ARG A 438 149.501 172.267 174.547 1.00 84.87 N +ATOM 6540 NH2 ARG A 438 147.897 173.908 174.594 1.00 93.88 N +ATOM 6541 H ARG A 438 151.091 174.872 181.084 1.00 69.65 H +ATOM 6542 HA ARG A 438 150.238 172.959 181.398 1.00 75.55 H +ATOM 6543 HB2 ARG A 438 151.863 172.348 179.173 1.00 91.94 H +ATOM 6544 HB3 ARG A 438 150.676 171.416 179.668 1.00 91.94 H +ATOM 6545 HG2 ARG A 438 149.125 172.979 179.076 1.00 85.15 H +ATOM 6546 HG3 ARG A 438 150.261 174.045 178.758 1.00 85.15 H +ATOM 6547 HD2 ARG A 438 150.921 172.822 176.914 1.00 96.16 H +ATOM 6548 HD3 ARG A 438 149.831 171.709 177.247 1.00 96.16 H +ATOM 6549 HE ARG A 438 148.595 173.993 176.909 1.00111.66 H +ATOM 6550 HH11 ARG A 438 150.099 171.798 174.948 1.00101.84 H +ATOM 6551 HH12 ARG A 438 149.344 172.139 173.711 1.00101.84 H +ATOM 6552 HH21 ARG A 438 147.455 174.505 175.027 1.00112.66 H +ATOM 6553 HH22 ARG A 438 147.743 173.779 173.758 1.00112.66 H +ATOM 6554 N ASN A 439 152.098 172.295 183.158 1.00 59.84 N +ATOM 6555 CA ASN A 439 152.821 171.434 184.088 1.00 51.36 C +ATOM 6556 C ASN A 439 152.288 171.531 185.517 1.00 59.68 C +ATOM 6557 O ASN A 439 152.944 171.082 186.457 1.00 65.51 O +ATOM 6558 CB ASN A 439 154.314 171.773 184.064 1.00 49.12 C +ATOM 6559 CG ASN A 439 155.188 170.610 184.495 1.00 50.12 C +ATOM 6560 OD1 ASN A 439 154.843 169.448 184.287 1.00 49.45 O +ATOM 6561 ND2 ASN A 439 156.328 170.920 185.101 1.00 55.49 N +ATOM 6562 H ASN A 439 151.795 173.018 183.510 1.00 71.81 H +ATOM 6563 HA ASN A 439 152.723 170.513 183.799 1.00 61.63 H +ATOM 6564 HB2 ASN A 439 154.567 172.020 183.160 1.00 58.94 H +ATOM 6565 HB3 ASN A 439 154.479 172.514 184.668 1.00 58.94 H +ATOM 6566 HD21 ASN A 439 156.858 170.296 185.365 1.00 66.58 H +ATOM 6567 HD22 ASN A 439 156.536 171.745 185.230 1.00 66.58 H +ATOM 6568 N VAL A 440 151.096 172.100 185.680 1.00 63.53 N +ATOM 6569 CA VAL A 440 150.436 172.125 186.984 1.00 57.20 C +ATOM 6570 C VAL A 440 149.738 170.787 187.219 1.00 50.99 C +ATOM 6571 O VAL A 440 148.904 170.382 186.416 1.00 55.51 O +ATOM 6572 CB VAL A 440 149.398 173.259 187.088 1.00 61.11 C +ATOM 6573 CG1 VAL A 440 148.735 173.253 188.465 1.00 56.53 C +ATOM 6574 CG2 VAL A 440 150.052 174.603 186.827 1.00 62.87 C +ATOM 6575 H VAL A 440 150.648 172.479 185.051 1.00 76.23 H +ATOM 6576 HA VAL A 440 151.100 172.252 187.680 1.00 68.64 H +ATOM 6577 HB VAL A 440 148.708 173.122 186.420 1.00 73.33 H +ATOM 6578 HG11 VAL A 440 148.088 173.974 188.506 1.00 67.84 H +ATOM 6579 HG12 VAL A 440 148.292 172.401 188.598 1.00 67.84 H +ATOM 6580 HG13 VAL A 440 149.417 173.381 189.143 1.00 67.84 H +ATOM 6581 HG21 VAL A 440 149.380 175.299 186.898 1.00 75.45 H +ATOM 6582 HG22 VAL A 440 150.750 174.748 187.484 1.00 75.45 H +ATOM 6583 HG23 VAL A 440 150.433 174.600 185.935 1.00 75.45 H +ATOM 6584 N PRO A 441 150.073 170.087 188.318 1.00 54.49 N +ATOM 6585 CA PRO A 441 149.409 168.797 188.544 1.00 55.33 C +ATOM 6586 C PRO A 441 147.904 168.958 188.756 1.00 56.21 C +ATOM 6587 O PRO A 441 147.489 169.963 189.332 1.00 53.65 O +ATOM 6588 CB PRO A 441 150.087 168.266 189.813 1.00 59.52 C +ATOM 6589 CG PRO A 441 151.342 169.055 189.955 1.00 55.24 C +ATOM 6590 CD PRO A 441 151.051 170.392 189.374 1.00 55.55 C +ATOM 6591 HA PRO A 441 149.575 168.190 187.806 1.00 66.40 H +ATOM 6592 HB2 PRO A 441 149.505 168.409 190.577 1.00 71.42 H +ATOM 6593 HB3 PRO A 441 150.286 167.323 189.707 1.00 71.42 H +ATOM 6594 HG2 PRO A 441 151.572 169.134 190.894 1.00 66.29 H +ATOM 6595 HG3 PRO A 441 152.056 168.619 189.464 1.00 66.29 H +ATOM 6596 HD2 PRO A 441 150.657 170.974 190.043 1.00 66.66 H +ATOM 6597 HD3 PRO A 441 151.854 170.779 188.992 1.00 66.66 H +ATOM 6598 N PRO A 442 147.094 167.985 188.300 1.00 62.55 N +ATOM 6599 CA PRO A 442 145.641 168.062 188.494 1.00 59.91 C +ATOM 6600 C PRO A 442 145.251 168.245 189.958 1.00 51.47 C +ATOM 6601 O PRO A 442 144.214 168.835 190.255 1.00 50.85 O +ATOM 6602 CB PRO A 442 145.145 166.710 187.968 1.00 70.18 C +ATOM 6603 CG PRO A 442 146.190 166.262 187.022 1.00 77.52 C +ATOM 6604 CD PRO A 442 147.485 166.769 187.567 1.00 66.06 C +ATOM 6605 HA PRO A 442 145.262 168.779 187.962 1.00 71.89 H +ATOM 6606 HB2 PRO A 442 145.057 166.085 188.705 1.00 84.22 H +ATOM 6607 HB3 PRO A 442 144.296 166.828 187.513 1.00 84.22 H +ATOM 6608 HG2 PRO A 442 146.194 165.293 186.979 1.00 93.02 H +ATOM 6609 HG3 PRO A 442 146.018 166.640 186.146 1.00 93.02 H +ATOM 6610 HD2 PRO A 442 147.874 166.119 188.173 1.00 79.27 H +ATOM 6611 HD3 PRO A 442 148.093 166.990 186.844 1.00 79.27 H +ATOM 6612 N ALA A 443 146.095 167.745 190.854 1.00 56.54 N +ATOM 6613 CA ALA A 443 145.819 167.773 192.287 1.00 54.59 C +ATOM 6614 C ALA A 443 145.608 169.191 192.816 1.00 53.89 C +ATOM 6615 O ALA A 443 144.726 169.423 193.642 1.00 56.49 O +ATOM 6616 CB ALA A 443 146.952 167.097 193.042 1.00 51.87 C +ATOM 6617 H ALA A 443 146.846 167.377 190.655 1.00 67.85 H +ATOM 6618 HA ALA A 443 145.008 167.270 192.458 1.00 65.51 H +ATOM 6619 HB1 ALA A 443 146.757 167.123 193.991 1.00 62.25 H +ATOM 6620 HB2 ALA A 443 147.025 166.177 192.743 1.00 62.25 H +ATOM 6621 HB3 ALA A 443 147.779 167.571 192.860 1.00 62.25 H +ATOM 6622 N VAL A 444 146.420 170.131 192.342 1.00 59.34 N +ATOM 6623 CA VAL A 444 146.336 171.524 192.779 1.00 56.88 C +ATOM 6624 C VAL A 444 145.812 172.415 191.659 1.00 56.58 C +ATOM 6625 O VAL A 444 146.095 173.612 191.620 1.00 63.23 O +ATOM 6626 CB VAL A 444 147.706 172.054 193.256 1.00 57.26 C +ATOM 6627 CG1 VAL A 444 148.116 171.373 194.552 1.00 54.24 C +ATOM 6628 CG2 VAL A 444 148.767 171.858 192.182 1.00 53.49 C +ATOM 6629 H VAL A 444 147.036 169.987 191.759 1.00 71.21 H +ATOM 6630 HA VAL A 444 145.717 171.583 193.523 1.00 68.25 H +ATOM 6631 HB VAL A 444 147.631 173.006 193.431 1.00 68.71 H +ATOM 6632 HG11 VAL A 444 148.977 171.720 194.832 1.00 65.08 H +ATOM 6633 HG12 VAL A 444 147.447 171.557 195.230 1.00 65.08 H +ATOM 6634 HG13 VAL A 444 148.178 170.417 194.399 1.00 65.08 H +ATOM 6635 HG21 VAL A 444 149.614 172.199 192.509 1.00 64.19 H +ATOM 6636 HG22 VAL A 444 148.845 170.911 191.985 1.00 64.19 H +ATOM 6637 HG23 VAL A 444 148.501 172.341 191.384 1.00 64.19 H +ATOM 6638 N GLN A 445 145.042 171.823 190.754 1.00 61.69 N +ATOM 6639 CA GLN A 445 144.461 172.550 189.633 1.00 60.86 C +ATOM 6640 C GLN A 445 143.632 173.742 190.096 1.00 61.01 C +ATOM 6641 O GLN A 445 143.663 174.806 189.478 1.00 59.13 O +ATOM 6642 CB GLN A 445 143.600 171.605 188.790 1.00 69.81 C +ATOM 6643 CG GLN A 445 142.690 172.307 187.795 1.00 78.87 C +ATOM 6644 CD GLN A 445 141.991 171.347 186.855 1.00 84.65 C +ATOM 6645 OE1 GLN A 445 142.396 170.194 186.709 1.00 76.72 O +ATOM 6646 NE2 GLN A 445 140.929 171.821 186.211 1.00 69.10 N +ATOM 6647 H GLN A 445 144.838 170.987 190.768 1.00 74.03 H +ATOM 6648 HA GLN A 445 145.177 172.884 189.070 1.00 73.03 H +ATOM 6649 HB2 GLN A 445 144.184 171.015 188.289 1.00 83.77 H +ATOM 6650 HB3 GLN A 445 143.039 171.082 189.384 1.00 83.77 H +ATOM 6651 HG2 GLN A 445 142.010 172.799 188.282 1.00 94.64 H +ATOM 6652 HG3 GLN A 445 143.221 172.918 187.259 1.00 94.64 H +ATOM 6653 HE21 GLN A 445 140.674 172.632 186.340 1.00 82.92 H +ATOM 6654 HE22 GLN A 445 140.496 171.316 185.666 1.00 82.92 H +ATOM 6655 N LYS A 446 142.888 173.561 191.182 1.00 69.06 N +ATOM 6656 CA LYS A 446 142.016 174.615 191.687 1.00 68.75 C +ATOM 6657 C LYS A 446 142.808 175.746 192.330 1.00 61.45 C +ATOM 6658 O LYS A 446 142.363 176.893 192.339 1.00 60.44 O +ATOM 6659 CB LYS A 446 141.011 174.042 192.690 1.00 65.45 C +ATOM 6660 CG LYS A 446 139.927 173.185 192.057 1.00 69.92 C +ATOM 6661 CD LYS A 446 139.015 174.012 191.148 1.00 92.05 C +ATOM 6662 CE LYS A 446 138.309 173.148 190.124 1.00100.49 C +ATOM 6663 NZ LYS A 446 137.764 173.978 189.012 1.00 75.33 N +ATOM 6664 H LYS A 446 142.870 172.836 191.644 1.00 82.87 H +ATOM 6665 HA LYS A 446 141.515 174.988 190.946 1.00 82.50 H +ATOM 6666 HB2 LYS A 446 141.488 173.491 193.330 1.00 78.54 H +ATOM 6667 HB3 LYS A 446 140.576 174.777 193.151 1.00 78.54 H +ATOM 6668 HG2 LYS A 446 140.340 172.490 191.522 1.00 83.90 H +ATOM 6669 HG3 LYS A 446 139.382 172.791 192.756 1.00 83.90 H +ATOM 6670 HD2 LYS A 446 138.342 174.454 191.688 1.00110.46 H +ATOM 6671 HD3 LYS A 446 139.549 174.669 190.674 1.00110.46 H +ATOM 6672 HE2 LYS A 446 138.939 172.512 189.751 1.00120.58 H +ATOM 6673 HE3 LYS A 446 137.571 172.684 190.549 1.00120.58 H +ATOM 6674 HZ1 LYS A 446 137.352 173.457 188.418 1.00 90.40 H +ATOM 6675 HZ2 LYS A 446 137.181 174.569 189.331 1.00 90.40 H +ATOM 6676 HZ3 LYS A 446 138.425 174.413 188.605 1.00 90.40 H +ATOM 6677 N VAL A 447 143.977 175.424 192.869 1.00 62.85 N +ATOM 6678 CA VAL A 447 144.844 176.445 193.434 1.00 63.27 C +ATOM 6679 C VAL A 447 145.276 177.404 192.332 1.00 60.77 C +ATOM 6680 O VAL A 447 145.323 178.616 192.534 1.00 57.05 O +ATOM 6681 CB VAL A 447 146.087 175.833 194.109 1.00 62.45 C +ATOM 6682 CG1 VAL A 447 146.997 176.923 194.645 1.00 81.36 C +ATOM 6683 CG2 VAL A 447 145.674 174.896 195.234 1.00 59.59 C +ATOM 6684 H VAL A 447 144.290 174.624 192.919 1.00 75.42 H +ATOM 6685 HA VAL A 447 144.353 176.949 194.102 1.00 75.93 H +ATOM 6686 HB VAL A 447 146.585 175.318 193.454 1.00 74.94 H +ATOM 6687 HG11 VAL A 447 147.770 176.511 195.064 1.00 97.63 H +ATOM 6688 HG12 VAL A 447 147.281 177.487 193.909 1.00 97.63 H +ATOM 6689 HG13 VAL A 447 146.509 177.449 195.297 1.00 97.63 H +ATOM 6690 HG21 VAL A 447 146.470 174.523 195.643 1.00 71.50 H +ATOM 6691 HG22 VAL A 447 145.167 175.397 195.892 1.00 71.50 H +ATOM 6692 HG23 VAL A 447 145.126 174.184 194.867 1.00 71.50 H +ATOM 6693 N SER A 448 145.585 176.853 191.162 1.00 61.54 N +ATOM 6694 CA SER A 448 145.962 177.663 190.010 1.00 66.42 C +ATOM 6695 C SER A 448 144.840 178.614 189.616 1.00 60.45 C +ATOM 6696 O SER A 448 145.073 179.801 189.393 1.00 62.93 O +ATOM 6697 CB SER A 448 146.331 176.774 188.821 1.00 62.06 C +ATOM 6698 OG SER A 448 147.719 176.498 188.806 1.00 71.61 O +ATOM 6699 H SER A 448 145.583 176.007 191.009 1.00 73.85 H +ATOM 6700 HA SER A 448 146.740 178.196 190.239 1.00 79.71 H +ATOM 6701 HB2 SER A 448 145.844 175.938 188.890 1.00 74.48 H +ATOM 6702 HB3 SER A 448 146.091 177.230 188.000 1.00 74.48 H +ATOM 6703 HG SER A 448 147.908 176.009 188.150 1.00 85.93 H +ATOM 6704 N GLN A 449 143.624 178.086 189.527 1.00 50.84 N +ATOM 6705 CA GLN A 449 142.468 178.901 189.179 1.00 54.96 C +ATOM 6706 C GLN A 449 142.237 179.982 190.229 1.00 57.01 C +ATOM 6707 O GLN A 449 141.816 181.092 189.906 1.00 60.83 O +ATOM 6708 CB GLN A 449 141.218 178.034 189.035 1.00 59.14 C +ATOM 6709 CG GLN A 449 139.983 178.813 188.612 1.00 61.62 C +ATOM 6710 CD GLN A 449 138.784 177.925 188.359 1.00 63.05 C +ATOM 6711 OE1 GLN A 449 138.817 176.724 188.630 1.00 60.59 O +ATOM 6712 NE2 GLN A 449 137.715 178.512 187.835 1.00 60.03 N +ATOM 6713 H GLN A 449 143.441 177.256 189.664 1.00 61.01 H +ATOM 6714 HA GLN A 449 142.632 179.338 188.329 1.00 65.95 H +ATOM 6715 HB2 GLN A 449 141.384 177.353 188.364 1.00 70.97 H +ATOM 6716 HB3 GLN A 449 141.027 177.614 189.889 1.00 70.97 H +ATOM 6717 HG2 GLN A 449 139.749 179.439 189.316 1.00 73.95 H +ATOM 6718 HG3 GLN A 449 140.178 179.294 187.793 1.00 73.95 H +ATOM 6719 HE21 GLN A 449 137.730 179.354 187.658 1.00 72.04 H +ATOM 6720 HE22 GLN A 449 137.008 178.051 187.671 1.00 72.04 H +ATOM 6721 N ALA A 450 142.517 179.652 191.486 1.00 54.51 N +ATOM 6722 CA ALA A 450 142.344 180.598 192.582 1.00 57.15 C +ATOM 6723 C ALA A 450 143.270 181.796 192.413 1.00 63.51 C +ATOM 6724 O ALA A 450 142.879 182.935 192.670 1.00 60.09 O +ATOM 6725 CB ALA A 450 142.601 179.916 193.914 1.00 58.12 C +ATOM 6726 H ALA A 450 142.810 178.881 191.731 1.00 65.41 H +ATOM 6727 HA ALA A 450 141.430 180.921 192.581 1.00 68.58 H +ATOM 6728 HB1 ALA A 450 142.480 180.562 194.627 1.00 69.74 H +ATOM 6729 HB2 ALA A 450 141.972 179.185 194.020 1.00 69.74 H +ATOM 6730 HB3 ALA A 450 143.509 179.576 193.924 1.00 69.74 H +ATOM 6731 N SER A 451 144.498 181.533 191.978 1.00 53.14 N +ATOM 6732 CA SER A 451 145.476 182.590 191.760 1.00 54.32 C +ATOM 6733 C SER A 451 144.965 183.605 190.745 1.00 62.60 C +ATOM 6734 O SER A 451 145.061 184.814 190.958 1.00 64.43 O +ATOM 6735 CB SER A 451 146.801 181.998 191.285 1.00 58.41 C +ATOM 6736 OG SER A 451 147.274 181.024 192.197 1.00 65.56 O +ATOM 6737 H SER A 451 144.790 180.744 191.800 1.00 63.77 H +ATOM 6738 HA SER A 451 145.635 183.053 192.597 1.00 65.19 H +ATOM 6739 HB2 SER A 451 146.669 181.582 190.419 1.00 70.09 H +ATOM 6740 HB3 SER A 451 147.457 182.709 191.214 1.00 70.09 H +ATOM 6741 HG SER A 451 147.393 181.371 192.953 1.00 78.68 H +ATOM 6742 N ILE A 452 144.421 183.103 189.642 1.00 69.74 N +ATOM 6743 CA ILE A 452 143.868 183.957 188.600 1.00 68.75 C +ATOM 6744 C ILE A 452 142.677 184.746 189.136 1.00 56.40 C +ATOM 6745 O ILE A 452 142.624 185.966 188.999 1.00 57.96 O +ATOM 6746 CB ILE A 452 143.428 183.135 187.369 1.00 71.21 C +ATOM 6747 CG1 ILE A 452 144.624 182.382 186.780 1.00 71.80 C +ATOM 6748 CG2 ILE A 452 142.802 184.042 186.306 1.00 66.38 C +ATOM 6749 CD1 ILE A 452 144.252 181.359 185.728 1.00 72.67 C +ATOM 6750 H ILE A 452 144.360 182.262 189.472 1.00 83.68 H +ATOM 6751 HA ILE A 452 144.545 184.590 188.315 1.00 82.51 H +ATOM 6752 HB ILE A 452 142.764 182.487 187.652 1.00 85.46 H +ATOM 6753 HG12 ILE A 452 145.225 183.023 186.370 1.00 86.17 H +ATOM 6754 HG13 ILE A 452 145.082 181.915 187.497 1.00 86.17 H +ATOM 6755 HG21 ILE A 452 142.536 183.501 185.547 1.00 79.65 H +ATOM 6756 HG22 ILE A 452 142.027 184.484 186.686 1.00 79.65 H +ATOM 6757 HG23 ILE A 452 143.457 184.702 186.030 1.00 79.65 H +ATOM 6758 HD11 ILE A 452 145.059 180.929 185.407 1.00 87.20 H +ATOM 6759 HD12 ILE A 452 143.660 180.701 186.124 1.00 87.20 H +ATOM 6760 HD13 ILE A 452 143.803 181.810 184.996 1.00 87.20 H +ATOM 6761 N ASP A 453 141.729 184.039 189.742 1.00 59.62 N +ATOM 6762 CA ASP A 453 140.517 184.665 190.259 1.00 54.48 C +ATOM 6763 C ASP A 453 140.841 185.728 191.303 1.00 55.06 C +ATOM 6764 O ASP A 453 140.305 186.832 191.258 1.00 50.30 O +ATOM 6765 CB ASP A 453 139.583 183.613 190.864 1.00 59.09 C +ATOM 6766 CG ASP A 453 138.963 182.704 189.817 1.00 61.94 C +ATOM 6767 OD1 ASP A 453 138.834 183.125 188.649 1.00 57.41 O +ATOM 6768 OD2 ASP A 453 138.595 181.566 190.171 1.00 55.62 O +ATOM 6769 H ASP A 453 141.763 183.189 189.867 1.00 71.54 H +ATOM 6770 HA ASP A 453 140.048 185.097 189.528 1.00 65.38 H +ATOM 6771 HB2 ASP A 453 140.088 183.059 191.480 1.00 70.90 H +ATOM 6772 HB3 ASP A 453 138.864 184.062 191.335 1.00 70.90 H +ATOM 6773 N GLN A 454 141.725 185.393 192.237 1.00 60.21 N +ATOM 6774 CA GLN A 454 142.084 186.310 193.312 1.00 54.23 C +ATOM 6775 C GLN A 454 142.812 187.549 192.793 1.00 49.98 C +ATOM 6776 O GLN A 454 142.678 188.634 193.357 1.00 45.98 O +ATOM 6777 CB GLN A 454 142.949 185.595 194.349 1.00 64.44 C +ATOM 6778 CG GLN A 454 142.176 184.626 195.228 1.00 71.88 C +ATOM 6779 CD GLN A 454 143.085 183.737 196.049 1.00 58.48 C +ATOM 6780 OE1 GLN A 454 144.227 184.093 196.334 1.00 69.27 O +ATOM 6781 NE2 GLN A 454 142.583 182.570 196.430 1.00 77.55 N +ATOM 6782 H GLN A 454 142.133 184.636 192.270 1.00 72.25 H +ATOM 6783 HA GLN A 454 141.273 186.606 193.754 1.00 65.08 H +ATOM 6784 HB2 GLN A 454 143.639 185.092 193.887 1.00 77.33 H +ATOM 6785 HB3 GLN A 454 143.358 186.259 194.926 1.00 77.33 H +ATOM 6786 HG2 GLN A 454 141.616 185.130 195.839 1.00 86.26 H +ATOM 6787 HG3 GLN A 454 141.627 184.057 194.666 1.00 86.26 H +ATOM 6788 HE21 GLN A 454 141.781 182.353 196.208 1.00 93.07 H +ATOM 6789 HE22 GLN A 454 143.060 182.029 196.898 1.00 93.07 H +ATOM 6790 N SER A 455 143.583 187.391 191.721 1.00 49.77 N +ATOM 6791 CA SER A 455 144.295 188.522 191.139 1.00 47.73 C +ATOM 6792 C SER A 455 143.314 189.448 190.430 1.00 42.12 C +ATOM 6793 O SER A 455 143.527 190.656 190.362 1.00 36.86 O +ATOM 6794 CB SER A 455 145.378 188.046 190.168 1.00 51.15 C +ATOM 6795 OG SER A 455 144.817 187.326 189.087 1.00 66.26 O +ATOM 6796 H SER A 455 143.709 186.643 191.315 1.00 59.72 H +ATOM 6797 HA SER A 455 144.726 189.025 191.848 1.00 57.27 H +ATOM 6798 HB2 SER A 455 145.850 188.819 189.820 1.00 61.37 H +ATOM 6799 HB3 SER A 455 145.995 187.469 190.644 1.00 61.37 H +ATOM 6800 HG SER A 455 144.405 186.653 189.374 1.00 79.51 H +ATOM 6801 N ARG A 456 142.237 188.873 189.904 1.00 48.61 N +ATOM 6802 CA ARG A 456 141.174 189.661 189.293 1.00 45.29 C +ATOM 6803 C ARG A 456 140.405 190.431 190.360 1.00 39.45 C +ATOM 6804 O ARG A 456 140.037 191.585 190.154 1.00 46.19 O +ATOM 6805 CB ARG A 456 140.228 188.763 188.496 1.00 44.22 C +ATOM 6806 CG ARG A 456 140.842 188.216 187.220 1.00 47.22 C +ATOM 6807 CD ARG A 456 139.944 187.183 186.562 1.00 50.09 C +ATOM 6808 NE ARG A 456 140.552 186.630 185.355 1.00 57.63 N +ATOM 6809 CZ ARG A 456 139.987 185.708 184.582 1.00 46.44 C +ATOM 6810 NH1 ARG A 456 138.790 185.223 184.881 1.00 55.51 N +ATOM 6811 NH2 ARG A 456 140.621 185.270 183.505 1.00 53.11 N +ATOM 6812 H ARG A 456 142.098 188.024 189.889 1.00 58.34 H +ATOM 6813 HA ARG A 456 141.566 190.304 188.682 1.00 54.34 H +ATOM 6814 HB2 ARG A 456 139.971 188.009 189.050 1.00 53.07 H +ATOM 6815 HB3 ARG A 456 139.442 189.276 188.252 1.00 53.07 H +ATOM 6816 HG2 ARG A 456 140.978 188.944 186.593 1.00 56.67 H +ATOM 6817 HG3 ARG A 456 141.689 187.792 187.430 1.00 56.67 H +ATOM 6818 HD2 ARG A 456 139.786 186.455 187.184 1.00 60.11 H +ATOM 6819 HD3 ARG A 456 139.104 187.601 186.315 1.00 60.11 H +ATOM 6820 HE ARG A 456 141.329 186.920 185.129 1.00 69.16 H +ATOM 6821 HH11 ARG A 456 138.375 185.504 185.580 1.00 66.62 H +ATOM 6822 HH12 ARG A 456 138.430 184.627 184.378 1.00 66.62 H +ATOM 6823 HH21 ARG A 456 141.397 185.581 183.306 1.00 63.73 H +ATOM 6824 HH22 ARG A 456 140.256 184.673 183.004 1.00 63.73 H +ATOM 6825 N GLN A 457 140.166 189.785 191.499 1.00 36.14 N +ATOM 6826 CA GLN A 457 139.550 190.452 192.643 1.00 37.96 C +ATOM 6827 C GLN A 457 140.365 191.675 193.043 1.00 38.09 C +ATOM 6828 O GLN A 457 139.815 192.735 193.331 1.00 37.59 O +ATOM 6829 CB GLN A 457 139.435 189.503 193.838 1.00 44.96 C +ATOM 6830 CG GLN A 457 138.496 188.327 193.641 1.00 57.08 C +ATOM 6831 CD GLN A 457 138.485 187.395 194.837 1.00 64.19 C +ATOM 6832 OE1 GLN A 457 138.420 187.839 195.983 1.00 59.33 O +ATOM 6833 NE2 GLN A 457 138.561 186.095 194.578 1.00 57.38 N +ATOM 6834 H GLN A 457 140.351 188.956 191.635 1.00 43.37 H +ATOM 6835 HA GLN A 457 138.659 190.746 192.401 1.00 45.56 H +ATOM 6836 HB2 GLN A 457 140.315 189.144 194.033 1.00 53.96 H +ATOM 6837 HB3 GLN A 457 139.114 190.008 194.602 1.00 53.96 H +ATOM 6838 HG2 GLN A 457 137.594 188.659 193.509 1.00 68.49 H +ATOM 6839 HG3 GLN A 457 138.782 187.819 192.866 1.00 68.49 H +ATOM 6840 HE21 GLN A 457 138.612 185.821 193.764 1.00 68.86 H +ATOM 6841 HE22 GLN A 457 138.558 185.526 195.223 1.00 68.86 H +ATOM 6842 N MET A 458 141.685 191.514 193.056 1.00 35.65 N +ATOM 6843 CA MET A 458 142.588 192.584 193.453 1.00 37.17 C +ATOM 6844 C MET A 458 142.886 193.538 192.295 1.00 39.07 C +ATOM 6845 O MET A 458 143.617 194.512 192.463 1.00 41.93 O +ATOM 6846 CB MET A 458 143.888 191.991 194.003 1.00 46.75 C +ATOM 6847 CG MET A 458 143.715 191.283 195.344 1.00 38.25 C +ATOM 6848 SD MET A 458 145.245 190.607 196.022 1.00 45.80 S +ATOM 6849 CE MET A 458 145.727 189.454 194.738 1.00 45.15 C +ATOM 6850 H MET A 458 142.085 190.785 192.835 1.00 42.77 H +ATOM 6851 HA MET A 458 142.171 193.089 194.169 1.00 44.60 H +ATOM 6852 HB2 MET A 458 144.231 191.344 193.367 1.00 56.10 H +ATOM 6853 HB3 MET A 458 144.532 192.706 194.125 1.00 56.10 H +ATOM 6854 HG2 MET A 458 143.361 191.917 195.987 1.00 45.90 H +ATOM 6855 HG3 MET A 458 143.092 190.548 195.230 1.00 45.90 H +ATOM 6856 HE1 MET A 458 146.555 189.021 194.998 1.00 54.18 H +ATOM 6857 HE2 MET A 458 145.026 188.792 194.630 1.00 54.18 H +ATOM 6858 HE3 MET A 458 145.854 189.941 193.909 1.00 54.18 H +ATOM 6859 N LYS A 459 142.323 193.248 191.125 1.00 38.19 N +ATOM 6860 CA LYS A 459 142.418 194.136 189.966 1.00 40.56 C +ATOM 6861 C LYS A 459 143.858 194.401 189.528 1.00 33.62 C +ATOM 6862 O LYS A 459 144.297 195.548 189.469 1.00 34.87 O +ATOM 6863 CB LYS A 459 141.720 195.465 190.267 1.00 43.31 C +ATOM 6864 CG LYS A 459 140.248 195.317 190.624 1.00 56.95 C +ATOM 6865 CD LYS A 459 139.622 196.645 191.016 1.00 71.35 C +ATOM 6866 CE LYS A 459 140.206 197.182 192.314 1.00 80.01 C +ATOM 6867 NZ LYS A 459 139.515 198.416 192.770 1.00 88.50 N +ATOM 6868 H LYS A 459 141.874 192.531 190.973 1.00 45.83 H +ATOM 6869 HA LYS A 459 141.955 193.723 189.220 1.00 48.67 H +ATOM 6870 HB2 LYS A 459 142.166 195.890 191.016 1.00 51.98 H +ATOM 6871 HB3 LYS A 459 141.780 196.034 189.483 1.00 51.98 H +ATOM 6872 HG2 LYS A 459 139.767 194.971 189.856 1.00 68.35 H +ATOM 6873 HG3 LYS A 459 140.162 194.708 191.374 1.00 68.35 H +ATOM 6874 HD2 LYS A 459 139.788 197.296 190.317 1.00 85.62 H +ATOM 6875 HD3 LYS A 459 138.667 196.524 191.141 1.00 85.62 H +ATOM 6876 HE2 LYS A 459 140.112 196.510 193.007 1.00 96.02 H +ATOM 6877 HE3 LYS A 459 141.143 197.393 192.178 1.00 96.02 H +ATOM 6878 HZ1 LYS A 459 139.591 199.052 192.152 1.00106.20 H +ATOM 6879 HZ2 LYS A 459 138.652 198.248 192.908 1.00106.20 H +ATOM 6880 HZ3 LYS A 459 139.879 198.704 193.529 1.00106.20 H +ATOM 6881 N TYR A 460 144.585 193.335 189.218 1.00 39.98 N +ATOM 6882 CA TYR A 460 145.938 193.455 188.689 1.00 39.50 C +ATOM 6883 C TYR A 460 145.940 194.051 187.287 1.00 39.47 C +ATOM 6884 O TYR A 460 145.080 193.730 186.466 1.00 43.39 O +ATOM 6885 CB TYR A 460 146.625 192.090 188.644 1.00 39.34 C +ATOM 6886 CG TYR A 460 147.188 191.597 189.955 1.00 35.31 C +ATOM 6887 CD1 TYR A 460 146.772 192.127 191.167 1.00 37.37 C +ATOM 6888 CD2 TYR A 460 148.148 190.598 189.973 1.00 36.54 C +ATOM 6889 CE1 TYR A 460 147.295 191.668 192.357 1.00 35.18 C +ATOM 6890 CE2 TYR A 460 148.675 190.137 191.154 1.00 35.68 C +ATOM 6891 CZ TYR A 460 148.247 190.673 192.344 1.00 36.77 C +ATOM 6892 OH TYR A 460 148.774 190.209 193.524 1.00 34.80 O +ATOM 6893 H TYR A 460 144.316 192.523 189.305 1.00 47.98 H +ATOM 6894 HA TYR A 460 146.456 194.037 189.267 1.00 47.41 H +ATOM 6895 HB2 TYR A 460 145.979 191.433 188.340 1.00 47.21 H +ATOM 6896 HB3 TYR A 460 147.359 192.138 188.012 1.00 47.21 H +ATOM 6897 HD1 TYR A 460 146.129 192.798 191.178 1.00 44.85 H +ATOM 6898 HD2 TYR A 460 148.440 190.232 189.170 1.00 43.84 H +ATOM 6899 HE1 TYR A 460 147.007 192.030 193.164 1.00 42.21 H +ATOM 6900 HE2 TYR A 460 149.317 189.464 191.148 1.00 42.82 H +ATOM 6901 HH TYR A 460 149.340 189.607 193.369 1.00 41.76 H +ATOM 6902 N GLN A 461 146.919 194.905 187.007 1.00 35.44 N +ATOM 6903 CA GLN A 461 147.143 195.363 185.643 1.00 34.39 C +ATOM 6904 C GLN A 461 147.628 194.191 184.792 1.00 42.83 C +ATOM 6905 O GLN A 461 147.908 193.111 185.311 1.00 40.40 O +ATOM 6906 CB GLN A 461 148.155 196.508 185.603 1.00 32.54 C +ATOM 6907 CG GLN A 461 147.629 197.823 186.155 1.00 36.72 C +ATOM 6908 CD GLN A 461 148.563 198.985 185.880 1.00 38.07 C +ATOM 6909 OE1 GLN A 461 149.141 199.090 184.798 1.00 43.76 O +ATOM 6910 NE2 GLN A 461 148.717 199.864 186.861 1.00 36.85 N +ATOM 6911 H GLN A 461 147.464 195.233 187.586 1.00 42.52 H +ATOM 6912 HA GLN A 461 146.307 195.683 185.271 1.00 41.26 H +ATOM 6913 HB2 GLN A 461 148.930 196.256 186.129 1.00 39.05 H +ATOM 6914 HB3 GLN A 461 148.419 196.659 184.682 1.00 39.05 H +ATOM 6915 HG2 GLN A 461 146.774 198.020 185.741 1.00 44.07 H +ATOM 6916 HG3 GLN A 461 147.523 197.743 187.115 1.00 44.07 H +ATOM 6917 HE21 GLN A 461 148.297 199.758 187.604 1.00 44.22 H +ATOM 6918 HE22 GLN A 461 149.236 200.541 186.753 1.00 44.22 H +ATOM 6919 N SER A 462 147.728 194.404 183.485 1.00 49.44 N +ATOM 6920 CA SER A 462 148.094 193.328 182.572 1.00 48.37 C +ATOM 6921 C SER A 462 149.542 192.887 182.751 1.00 44.66 C +ATOM 6922 O SER A 462 150.327 193.533 183.446 1.00 43.51 O +ATOM 6923 CB SER A 462 147.870 193.760 181.126 1.00 51.32 C +ATOM 6924 OG SER A 462 148.862 194.682 180.720 1.00 48.71 O +ATOM 6925 H SER A 462 147.589 195.161 183.102 1.00 59.33 H +ATOM 6926 HA SER A 462 147.525 192.562 182.746 1.00 58.04 H +ATOM 6927 HB2 SER A 462 147.911 192.978 180.553 1.00 61.59 H +ATOM 6928 HB3 SER A 462 146.999 194.180 181.053 1.00 61.59 H +ATOM 6929 HG SER A 462 148.730 194.913 179.923 1.00 58.45 H +ATOM 6930 N PHE A 463 149.879 191.773 182.113 1.00 42.35 N +ATOM 6931 CA PHE A 463 151.227 191.227 182.144 1.00 37.25 C +ATOM 6932 C PHE A 463 152.242 192.197 181.551 1.00 46.01 C +ATOM 6933 O PHE A 463 153.357 192.324 182.054 1.00 41.35 O +ATOM 6934 CB PHE A 463 151.261 189.900 181.386 1.00 40.42 C +ATOM 6935 CG PHE A 463 152.619 189.268 181.315 1.00 46.12 C +ATOM 6936 CD1 PHE A 463 153.200 188.713 182.443 1.00 40.77 C +ATOM 6937 CD2 PHE A 463 153.305 189.207 180.113 1.00 50.49 C +ATOM 6938 CE1 PHE A 463 154.438 188.118 182.374 1.00 42.24 C +ATOM 6939 CE2 PHE A 463 154.548 188.614 180.041 1.00 46.72 C +ATOM 6940 CZ PHE A 463 155.117 188.069 181.172 1.00 49.33 C +ATOM 6941 H PHE A 463 149.330 191.305 181.644 1.00 50.82 H +ATOM 6942 HA PHE A 463 151.478 191.054 183.065 1.00 44.70 H +ATOM 6943 HB2 PHE A 463 150.666 189.274 181.828 1.00 48.51 H +ATOM 6944 HB3 PHE A 463 150.959 190.053 180.477 1.00 48.51 H +ATOM 6945 HD1 PHE A 463 152.747 188.742 183.255 1.00 48.93 H +ATOM 6946 HD2 PHE A 463 152.924 189.572 179.348 1.00 60.59 H +ATOM 6947 HE1 PHE A 463 154.821 187.753 183.139 1.00 50.69 H +ATOM 6948 HE2 PHE A 463 155.002 188.582 179.229 1.00 56.06 H +ATOM 6949 HZ PHE A 463 155.956 187.670 181.126 1.00 59.19 H +ATOM 6950 N ASN A 464 151.854 192.881 180.479 1.00 45.66 N +ATOM 6951 CA ASN A 464 152.758 193.807 179.807 1.00 48.20 C +ATOM 6952 C ASN A 464 152.976 195.090 180.600 1.00 48.46 C +ATOM 6953 O ASN A 464 154.028 195.713 180.487 1.00 44.33 O +ATOM 6954 CB ASN A 464 152.234 194.150 178.406 1.00 66.61 C +ATOM 6955 CG ASN A 464 152.844 193.279 177.313 1.00 50.81 C +ATOM 6956 OD1 ASN A 464 153.853 192.606 177.520 1.00 42.96 O +ATOM 6957 ND2 ASN A 464 152.234 193.307 176.132 1.00 75.97 N +ATOM 6958 H ASN A 464 151.073 192.827 180.123 1.00 54.79 H +ATOM 6959 HA ASN A 464 153.620 193.376 179.701 1.00 57.84 H +ATOM 6960 HB2 ASN A 464 151.273 194.022 178.389 1.00 79.93 H +ATOM 6961 HB3 ASN A 464 152.449 195.074 178.207 1.00 79.93 H +ATOM 6962 HD21 ASN A 464 152.536 192.834 175.480 1.00 91.16 H +ATOM 6963 HD22 ASN A 464 151.536 193.797 176.020 1.00 91.16 H +ATOM 6964 N GLU A 465 151.990 195.493 181.394 1.00 46.38 N +ATOM 6965 CA GLU A 465 152.154 196.667 182.242 1.00 41.90 C +ATOM 6966 C GLU A 465 153.198 196.383 183.313 1.00 45.75 C +ATOM 6967 O GLU A 465 153.968 197.266 183.692 1.00 43.43 O +ATOM 6968 CB GLU A 465 150.827 197.075 182.891 1.00 41.22 C +ATOM 6969 CG GLU A 465 149.797 197.647 181.921 1.00 48.81 C +ATOM 6970 CD GLU A 465 150.335 198.806 181.103 1.00 54.57 C +ATOM 6971 OE1 GLU A 465 150.740 199.824 181.697 1.00 48.23 O +ATOM 6972 OE2 GLU A 465 150.360 198.692 179.860 1.00 73.78 O +ATOM 6973 H GLU A 465 151.224 195.109 181.460 1.00 55.65 H +ATOM 6974 HA GLU A 465 152.468 197.409 181.702 1.00 50.28 H +ATOM 6975 HB2 GLU A 465 150.434 196.294 183.310 1.00 49.46 H +ATOM 6976 HB3 GLU A 465 151.006 197.752 183.563 1.00 49.46 H +ATOM 6977 HG2 GLU A 465 149.520 196.950 181.306 1.00 58.57 H +ATOM 6978 HG3 GLU A 465 149.032 197.967 182.425 1.00 58.57 H +ATOM 6979 N TYR A 466 153.226 195.142 183.788 1.00 44.10 N +ATOM 6980 CA TYR A 466 154.187 194.737 184.803 1.00 43.13 C +ATOM 6981 C TYR A 466 155.576 194.556 184.205 1.00 45.68 C +ATOM 6982 O TYR A 466 156.581 194.726 184.896 1.00 44.69 O +ATOM 6983 CB TYR A 466 153.728 193.450 185.494 1.00 39.61 C +ATOM 6984 CG TYR A 466 152.782 193.724 186.637 1.00 43.88 C +ATOM 6985 CD1 TYR A 466 153.252 194.259 187.826 1.00 33.24 C +ATOM 6986 CD2 TYR A 466 151.421 193.474 186.521 1.00 41.94 C +ATOM 6987 CE1 TYR A 466 152.399 194.531 188.865 1.00 37.87 C +ATOM 6988 CE2 TYR A 466 150.559 193.741 187.563 1.00 37.24 C +ATOM 6989 CZ TYR A 466 151.055 194.269 188.734 1.00 38.53 C +ATOM 6990 OH TYR A 466 150.210 194.540 189.781 1.00 34.25 O +ATOM 6991 H TYR A 466 152.695 194.514 183.537 1.00 52.92 H +ATOM 6992 HA TYR A 466 154.243 195.433 185.477 1.00 51.76 H +ATOM 6993 HB2 TYR A 466 153.268 192.890 184.849 1.00 47.53 H +ATOM 6994 HB3 TYR A 466 154.502 192.986 185.848 1.00 47.53 H +ATOM 6995 HD1 TYR A 466 154.159 194.440 187.920 1.00 39.88 H +ATOM 6996 HD2 TYR A 466 151.086 193.119 185.729 1.00 50.33 H +ATOM 6997 HE1 TYR A 466 152.730 194.885 189.659 1.00 45.44 H +ATOM 6998 HE2 TYR A 466 149.650 193.566 187.475 1.00 44.69 H +ATOM 6999 HH TYR A 466 150.645 194.856 190.426 1.00 41.11 H +ATOM 7000 N ARG A 467 155.632 194.214 182.921 1.00 49.90 N +ATOM 7001 CA ARG A 467 156.904 194.160 182.213 1.00 44.48 C +ATOM 7002 C ARG A 467 157.540 195.544 182.213 1.00 47.33 C +ATOM 7003 O ARG A 467 158.692 195.709 182.616 1.00 49.15 O +ATOM 7004 CB ARG A 467 156.718 193.672 180.775 1.00 46.92 C +ATOM 7005 CG ARG A 467 156.170 192.251 180.644 1.00 58.31 C +ATOM 7006 CD ARG A 467 157.259 191.219 180.384 1.00 52.03 C +ATOM 7007 NE ARG A 467 158.124 191.576 179.262 1.00 49.18 N +ATOM 7008 CZ ARG A 467 159.230 190.916 178.932 1.00 52.88 C +ATOM 7009 NH1 ARG A 467 159.958 191.316 177.901 1.00 51.13 N +ATOM 7010 NH2 ARG A 467 159.612 189.856 179.631 1.00 51.70 N +ATOM 7011 H ARG A 467 154.950 194.010 182.440 1.00 59.89 H +ATOM 7012 HA ARG A 467 157.501 193.548 182.669 1.00 53.37 H +ATOM 7013 HB2 ARG A 467 156.098 194.267 180.324 1.00 56.31 H +ATOM 7014 HB3 ARG A 467 157.578 193.697 180.327 1.00 56.31 H +ATOM 7015 HG2 ARG A 467 155.719 192.010 181.468 1.00 69.97 H +ATOM 7016 HG3 ARG A 467 155.545 192.221 179.903 1.00 69.97 H +ATOM 7017 HD2 ARG A 467 157.813 191.139 181.176 1.00 62.44 H +ATOM 7018 HD3 ARG A 467 156.843 190.366 180.182 1.00 62.44 H +ATOM 7019 HE ARG A 467 157.904 192.256 178.785 1.00 59.02 H +ATOM 7020 HH11 ARG A 467 159.714 192.002 177.443 1.00 61.36 H +ATOM 7021 HH12 ARG A 467 160.671 190.887 177.687 1.00 61.36 H +ATOM 7022 HH21 ARG A 467 159.145 189.593 180.303 1.00 62.04 H +ATOM 7023 HH22 ARG A 467 160.328 189.433 179.413 1.00 62.04 H +ATOM 7024 N LYS A 468 156.775 196.536 181.765 1.00 50.52 N +ATOM 7025 CA LYS A 468 157.262 197.907 181.675 1.00 55.99 C +ATOM 7026 C LYS A 468 157.663 198.440 183.048 1.00 51.60 C +ATOM 7027 O LYS A 468 158.624 199.198 183.169 1.00 49.13 O +ATOM 7028 CB LYS A 468 156.198 198.815 181.046 1.00 50.85 C +ATOM 7029 CG LYS A 468 155.865 198.467 179.599 1.00 53.99 C +ATOM 7030 CD LYS A 468 155.104 199.583 178.889 1.00 59.30 C +ATOM 7031 CE LYS A 468 153.623 199.585 179.238 1.00 65.85 C +ATOM 7032 NZ LYS A 468 152.872 200.603 178.446 1.00 69.89 N +ATOM 7033 H LYS A 468 155.962 196.438 181.504 1.00 60.63 H +ATOM 7034 HA LYS A 468 158.047 197.927 181.106 1.00 67.19 H +ATOM 7035 HB2 LYS A 468 155.381 198.743 181.563 1.00 61.02 H +ATOM 7036 HB3 LYS A 468 156.519 199.730 181.064 1.00 61.02 H +ATOM 7037 HG2 LYS A 468 156.690 198.309 179.113 1.00 64.79 H +ATOM 7038 HG3 LYS A 468 155.313 197.669 179.584 1.00 64.79 H +ATOM 7039 HD2 LYS A 468 155.477 200.438 179.152 1.00 71.16 H +ATOM 7040 HD3 LYS A 468 155.187 199.464 177.930 1.00 71.16 H +ATOM 7041 HE2 LYS A 468 153.248 198.712 179.043 1.00 79.02 H +ATOM 7042 HE3 LYS A 468 153.517 199.794 180.179 1.00 79.02 H +ATOM 7043 HZ1 LYS A 468 152.010 200.584 178.668 1.00 83.87 H +ATOM 7044 HZ2 LYS A 468 153.196 201.415 178.611 1.00 83.87 H +ATOM 7045 HZ3 LYS A 468 152.951 200.430 177.577 1.00 83.87 H +ATOM 7046 N ARG A 469 156.927 198.033 184.077 1.00 51.62 N +ATOM 7047 CA ARG A 469 157.186 198.491 185.439 1.00 50.43 C +ATOM 7048 C ARG A 469 158.562 198.046 185.927 1.00 45.13 C +ATOM 7049 O ARG A 469 159.181 198.715 186.750 1.00 40.69 O +ATOM 7050 CB ARG A 469 156.099 197.975 186.384 1.00 52.71 C +ATOM 7051 CG ARG A 469 156.379 198.178 187.872 1.00 51.61 C +ATOM 7052 CD ARG A 469 156.569 199.643 188.238 1.00 47.65 C +ATOM 7053 NE ARG A 469 156.641 199.823 189.684 1.00 45.34 N +ATOM 7054 CZ ARG A 469 157.738 199.643 190.414 1.00 53.44 C +ATOM 7055 NH1 ARG A 469 158.879 199.277 189.842 1.00 46.59 N +ATOM 7056 NH2 ARG A 469 157.695 199.829 191.726 1.00 54.31 N +ATOM 7057 H ARG A 469 156.265 197.487 184.012 1.00 61.94 H +ATOM 7058 HA ARG A 469 157.162 199.461 185.456 1.00 60.51 H +ATOM 7059 HB2 ARG A 469 155.269 198.434 186.178 1.00 63.25 H +ATOM 7060 HB3 ARG A 469 155.988 197.023 186.235 1.00 63.25 H +ATOM 7061 HG2 ARG A 469 155.630 197.835 188.385 1.00 61.94 H +ATOM 7062 HG3 ARG A 469 157.190 197.702 188.109 1.00 61.94 H +ATOM 7063 HD2 ARG A 469 157.396 199.966 187.849 1.00 57.18 H +ATOM 7064 HD3 ARG A 469 155.817 200.157 187.904 1.00 57.18 H +ATOM 7065 HE ARG A 469 155.924 200.063 190.093 1.00 54.40 H +ATOM 7066 HH11 ARG A 469 158.913 199.153 188.992 1.00 55.91 H +ATOM 7067 HH12 ARG A 469 159.583 199.163 190.322 1.00 55.91 H +ATOM 7068 HH21 ARG A 469 156.959 200.067 192.103 1.00 65.17 H +ATOM 7069 HH22 ARG A 469 158.403 199.715 192.201 1.00 65.17 H +ATOM 7070 N PHE A 470 159.035 196.917 185.414 1.00 45.61 N +ATOM 7071 CA PHE A 470 160.348 196.400 185.782 1.00 42.10 C +ATOM 7072 C PHE A 470 161.305 196.473 184.592 1.00 48.28 C +ATOM 7073 O PHE A 470 162.208 195.649 184.444 1.00 33.12 O +ATOM 7074 CB PHE A 470 160.214 194.978 186.325 1.00 41.40 C +ATOM 7075 CG PHE A 470 159.578 194.926 187.685 1.00 48.45 C +ATOM 7076 CD1 PHE A 470 158.206 194.803 187.821 1.00 46.45 C +ATOM 7077 CD2 PHE A 470 160.351 195.038 188.829 1.00 44.23 C +ATOM 7078 CE1 PHE A 470 157.620 194.772 189.069 1.00 39.17 C +ATOM 7079 CE2 PHE A 470 159.770 195.007 190.079 1.00 47.05 C +ATOM 7080 CZ PHE A 470 158.402 194.875 190.199 1.00 43.99 C +ATOM 7081 H PHE A 470 158.613 196.428 184.846 1.00 54.74 H +ATOM 7082 HA PHE A 470 160.714 196.954 186.490 1.00 50.52 H +ATOM 7083 HB2 PHE A 470 159.665 194.459 185.718 1.00 49.67 H +ATOM 7084 HB3 PHE A 470 161.097 194.582 186.393 1.00 49.67 H +ATOM 7085 HD1 PHE A 470 157.673 194.733 187.061 1.00 55.74 H +ATOM 7086 HD2 PHE A 470 161.273 195.128 188.753 1.00 53.08 H +ATOM 7087 HE1 PHE A 470 156.698 194.682 189.148 1.00 47.00 H +ATOM 7088 HE2 PHE A 470 160.300 195.076 190.840 1.00 56.46 H +ATOM 7089 HZ PHE A 470 158.008 194.852 191.042 1.00 52.79 H +ATOM 7090 N MET A 471 161.086 197.487 183.757 1.00 53.56 N +ATOM 7091 CA MET A 471 162.016 197.869 182.696 1.00 49.10 C +ATOM 7092 C MET A 471 162.267 196.752 181.686 1.00 37.88 C +ATOM 7093 O MET A 471 163.402 196.524 181.266 1.00 46.82 O +ATOM 7094 CB MET A 471 163.341 198.332 183.308 1.00 44.11 C +ATOM 7095 CG MET A 471 163.228 199.645 184.076 1.00 40.71 C +ATOM 7096 SD MET A 471 164.792 200.214 184.775 1.00 58.75 S +ATOM 7097 CE MET A 471 165.791 200.406 183.300 1.00 96.41 C +ATOM 7098 H MET A 471 160.384 197.984 183.787 1.00 64.27 H +ATOM 7099 HA MET A 471 161.639 198.626 182.221 1.00 58.92 H +ATOM 7100 HB2 MET A 471 163.656 197.653 183.924 1.00 52.93 H +ATOM 7101 HB3 MET A 471 163.988 198.458 182.597 1.00 52.93 H +ATOM 7102 HG2 MET A 471 162.904 200.333 183.474 1.00 48.85 H +ATOM 7103 HG3 MET A 471 162.602 199.526 184.807 1.00 48.85 H +ATOM 7104 HE1 MET A 471 166.674 200.715 183.555 1.00115.69 H +ATOM 7105 HE2 MET A 471 165.857 199.549 182.850 1.00115.69 H +ATOM 7106 HE3 MET A 471 165.369 201.056 182.716 1.00115.69 H +ATOM 7107 N LEU A 472 161.197 196.070 181.292 1.00 38.02 N +ATOM 7108 CA LEU A 472 161.263 195.076 180.228 1.00 46.20 C +ATOM 7109 C LEU A 472 160.447 195.538 179.029 1.00 41.11 C +ATOM 7110 O LEU A 472 159.442 196.230 179.181 1.00 41.48 O +ATOM 7111 CB LEU A 472 160.749 193.720 180.714 1.00 44.25 C +ATOM 7112 CG LEU A 472 161.305 193.215 182.047 1.00 44.86 C +ATOM 7113 CD1 LEU A 472 160.645 191.897 182.415 1.00 42.68 C +ATOM 7114 CD2 LEU A 472 162.815 193.067 181.984 1.00 42.65 C +ATOM 7115 H LEU A 472 160.413 196.166 181.630 1.00 45.62 H +ATOM 7116 HA LEU A 472 162.185 194.969 179.946 1.00 55.44 H +ATOM 7117 HB2 LEU A 472 159.786 193.777 180.808 1.00 53.10 H +ATOM 7118 HB3 LEU A 472 160.967 193.055 180.042 1.00 53.10 H +ATOM 7119 HG LEU A 472 161.096 193.859 182.741 1.00 53.83 H +ATOM 7120 HD11 LEU A 472 161.006 191.588 183.260 1.00 51.22 H +ATOM 7121 HD12 LEU A 472 159.688 192.034 182.494 1.00 51.22 H +ATOM 7122 HD13 LEU A 472 160.830 191.246 181.719 1.00 51.22 H +ATOM 7123 HD21 LEU A 472 163.137 192.746 182.841 1.00 51.18 H +ATOM 7124 HD22 LEU A 472 163.041 192.432 181.286 1.00 51.18 H +ATOM 7125 HD23 LEU A 472 163.209 193.931 181.785 1.00 51.18 H +ATOM 7126 N LYS A 473 160.892 195.157 177.839 1.00 48.65 N +ATOM 7127 CA LYS A 473 160.140 195.424 176.621 1.00 46.11 C +ATOM 7128 C LYS A 473 158.836 194.626 176.651 1.00 44.14 C +ATOM 7129 O LYS A 473 158.860 193.419 176.882 1.00 47.74 O +ATOM 7130 CB LYS A 473 160.965 195.045 175.388 1.00 48.76 C +ATOM 7131 CG LYS A 473 160.853 196.019 174.228 1.00 63.34 C +ATOM 7132 CD LYS A 473 161.819 195.655 173.106 1.00 83.26 C +ATOM 7133 CE LYS A 473 161.395 194.389 172.370 1.00 85.59 C +ATOM 7134 NZ LYS A 473 160.147 194.589 171.583 1.00 90.25 N +ATOM 7135 H LYS A 473 161.633 194.740 177.708 1.00 58.38 H +ATOM 7136 HA LYS A 473 159.924 196.368 176.571 1.00 55.33 H +ATOM 7137 HB2 LYS A 473 161.900 194.998 175.644 1.00 58.51 H +ATOM 7138 HB3 LYS A 473 160.670 194.177 175.073 1.00 58.51 H +ATOM 7139 HG2 LYS A 473 159.951 195.994 173.873 1.00 76.01 H +ATOM 7140 HG3 LYS A 473 161.069 196.913 174.537 1.00 76.01 H +ATOM 7141 HD2 LYS A 473 161.850 196.381 172.464 1.00 99.91 H +ATOM 7142 HD3 LYS A 473 162.701 195.504 173.481 1.00 99.91 H +ATOM 7143 HE2 LYS A 473 162.099 194.126 171.758 1.00102.71 H +ATOM 7144 HE3 LYS A 473 161.234 193.684 173.017 1.00102.71 H +ATOM 7145 HZ1 LYS A 473 159.926 193.834 171.166 1.00108.30 H +ATOM 7146 HZ2 LYS A 473 159.481 194.826 172.124 1.00108.30 H +ATOM 7147 HZ3 LYS A 473 160.269 195.229 170.976 1.00108.30 H +ATOM 7148 N PRO A 474 157.687 195.289 176.440 1.00 43.30 N +ATOM 7149 CA PRO A 474 156.452 194.496 176.378 1.00 46.42 C +ATOM 7150 C PRO A 474 156.434 193.546 175.183 1.00 55.34 C +ATOM 7151 O PRO A 474 157.036 193.845 174.153 1.00 73.51 O +ATOM 7152 CB PRO A 474 155.352 195.558 176.256 1.00 45.47 C +ATOM 7153 CG PRO A 474 156.043 196.797 175.795 1.00 46.16 C +ATOM 7154 CD PRO A 474 157.423 196.735 176.355 1.00 43.61 C +ATOM 7155 HA PRO A 474 156.329 193.992 177.198 1.00 55.71 H +ATOM 7156 HB2 PRO A 474 154.693 195.271 175.605 1.00 54.56 H +ATOM 7157 HB3 PRO A 474 154.938 195.699 177.122 1.00 54.56 H +ATOM 7158 HG2 PRO A 474 156.069 196.811 174.826 1.00 55.39 H +ATOM 7159 HG3 PRO A 474 155.573 197.575 176.134 1.00 55.39 H +ATOM 7160 HD2 PRO A 474 158.053 197.159 175.751 1.00 52.34 H +ATOM 7161 HD3 PRO A 474 157.449 197.137 177.238 1.00 52.34 H +ATOM 7162 N TYR A 475 155.759 192.411 175.328 1.00 63.33 N +ATOM 7163 CA TYR A 475 155.658 191.438 174.245 1.00 68.94 C +ATOM 7164 C TYR A 475 154.663 191.913 173.190 1.00 80.49 C +ATOM 7165 O TYR A 475 153.557 192.344 173.517 1.00 67.83 O +ATOM 7166 CB TYR A 475 155.245 190.068 174.788 1.00 62.75 C +ATOM 7167 CG TYR A 475 156.361 189.326 175.494 1.00 65.60 C +ATOM 7168 CD1 TYR A 475 157.435 188.815 174.782 1.00 68.10 C +ATOM 7169 CD2 TYR A 475 156.333 189.128 176.868 1.00 69.61 C +ATOM 7170 CE1 TYR A 475 158.456 188.134 175.417 1.00 72.61 C +ATOM 7171 CE2 TYR A 475 157.352 188.446 177.513 1.00 66.78 C +ATOM 7172 CZ TYR A 475 158.410 187.952 176.781 1.00 68.64 C +ATOM 7173 OH TYR A 475 159.426 187.273 177.413 1.00 66.12 O +ATOM 7174 H TYR A 475 155.348 192.179 176.047 1.00 75.99 H +ATOM 7175 HA TYR A 475 156.525 191.345 173.821 1.00 82.73 H +ATOM 7176 HB2 TYR A 475 154.522 190.189 175.423 1.00 75.30 H +ATOM 7177 HB3 TYR A 475 154.945 189.517 174.049 1.00 75.30 H +ATOM 7178 HD1 TYR A 475 157.471 188.936 173.860 1.00 81.72 H +ATOM 7179 HD2 TYR A 475 155.621 189.461 177.364 1.00 83.54 H +ATOM 7180 HE1 TYR A 475 159.171 187.799 174.925 1.00 87.14 H +ATOM 7181 HE2 TYR A 475 157.322 188.323 178.434 1.00 80.13 H +ATOM 7182 HH TYR A 475 159.275 187.234 178.239 1.00 79.35 H +ATOM 7183 N GLU A 476 155.064 191.826 171.925 1.00 96.52 N +ATOM 7184 CA GLU A 476 154.254 192.328 170.817 1.00 81.91 C +ATOM 7185 C GLU A 476 153.341 191.260 170.220 1.00 62.40 C +ATOM 7186 O GLU A 476 152.556 191.548 169.316 1.00 62.06 O +ATOM 7187 CB GLU A 476 155.160 192.897 169.723 1.00 77.13 C +ATOM 7188 CG GLU A 476 155.922 194.144 170.141 1.00 85.04 C +ATOM 7189 CD GLU A 476 156.911 194.603 169.091 1.00 95.13 C +ATOM 7190 OE1 GLU A 476 156.614 194.459 167.887 1.00100.38 O +ATOM 7191 OE2 GLU A 476 157.990 195.105 169.469 1.00 95.00 O +ATOM 7192 H GLU A 476 155.810 191.476 171.679 1.00115.83 H +ATOM 7193 HA GLU A 476 153.693 193.049 171.143 1.00 98.29 H +ATOM 7194 HB2 GLU A 476 155.810 192.222 169.473 1.00 92.56 H +ATOM 7195 HB3 GLU A 476 154.614 193.128 168.955 1.00 92.56 H +ATOM 7196 HG2 GLU A 476 155.290 194.864 170.295 1.00102.05 H +ATOM 7197 HG3 GLU A 476 156.414 193.955 170.955 1.00102.05 H +ATOM 7198 N SER A 477 153.442 190.032 170.716 1.00 64.39 N +ATOM 7199 CA SER A 477 152.598 188.948 170.224 1.00 66.39 C +ATOM 7200 C SER A 477 152.624 187.753 171.167 1.00 63.44 C +ATOM 7201 O SER A 477 153.504 187.636 172.018 1.00 66.84 O +ATOM 7202 CB SER A 477 153.043 188.509 168.829 1.00 66.78 C +ATOM 7203 OG SER A 477 154.242 187.758 168.893 1.00 65.61 O +ATOM 7204 H SER A 477 153.990 189.800 171.337 1.00 77.26 H +ATOM 7205 HA SER A 477 151.683 189.262 170.163 1.00 79.66 H +ATOM 7206 HB2 SER A 477 152.347 187.961 168.433 1.00 80.13 H +ATOM 7207 HB3 SER A 477 153.194 189.298 168.284 1.00 80.13 H +ATOM 7208 HG SER A 477 154.475 187.523 168.121 1.00 78.73 H +ATOM 7209 N PHE A 478 151.652 186.864 171.000 1.00 59.43 N +ATOM 7210 CA PHE A 478 151.540 185.678 171.836 1.00 58.05 C +ATOM 7211 C PHE A 478 152.661 184.692 171.539 1.00 58.38 C +ATOM 7212 O PHE A 478 153.026 183.880 172.388 1.00 69.60 O +ATOM 7213 CB PHE A 478 150.181 185.010 171.625 1.00 58.33 C +ATOM 7214 CG PHE A 478 149.016 185.918 171.889 1.00 70.76 C +ATOM 7215 CD1 PHE A 478 148.429 185.965 173.141 1.00 62.96 C +ATOM 7216 CD2 PHE A 478 148.513 186.731 170.886 1.00 69.70 C +ATOM 7217 CE1 PHE A 478 147.358 186.801 173.388 1.00 73.88 C +ATOM 7218 CE2 PHE A 478 147.442 187.569 171.128 1.00 71.25 C +ATOM 7219 CZ PHE A 478 146.866 187.604 172.381 1.00 77.41 C +ATOM 7220 H PHE A 478 151.038 186.926 170.401 1.00 71.32 H +ATOM 7221 HA PHE A 478 151.606 185.939 172.768 1.00 69.66 H +ATOM 7222 HB2 PHE A 478 150.120 184.708 170.705 1.00 69.99 H +ATOM 7223 HB3 PHE A 478 150.108 184.251 172.226 1.00 69.99 H +ATOM 7224 HD1 PHE A 478 148.757 185.425 173.823 1.00 75.55 H +ATOM 7225 HD2 PHE A 478 148.899 186.710 170.040 1.00 83.64 H +ATOM 7226 HE1 PHE A 478 146.971 186.823 174.233 1.00 88.65 H +ATOM 7227 HE2 PHE A 478 147.111 188.110 170.448 1.00 85.51 H +ATOM 7228 HZ PHE A 478 146.144 188.168 172.547 1.00 92.89 H +ATOM 7229 N GLU A 479 153.208 184.773 170.331 1.00 67.36 N +ATOM 7230 CA GLU A 479 154.262 183.860 169.904 1.00 73.07 C +ATOM 7231 C GLU A 479 155.609 184.287 170.475 1.00 69.28 C +ATOM 7232 O GLU A 479 156.420 183.448 170.868 1.00 61.65 O +ATOM 7233 CB GLU A 479 154.322 183.798 168.376 1.00 83.31 C +ATOM 7234 CG GLU A 479 154.365 182.385 167.820 1.00 86.66 C +ATOM 7235 CD GLU A 479 153.917 182.311 166.374 1.00 87.21 C +ATOM 7236 OE1 GLU A 479 152.741 181.965 166.137 1.00 87.07 O +ATOM 7237 OE2 GLU A 479 154.739 182.595 165.477 1.00 88.99 O +ATOM 7238 H GLU A 479 152.985 185.351 169.736 1.00 80.84 H +ATOM 7239 HA GLU A 479 154.063 182.970 170.234 1.00 87.69 H +ATOM 7240 HB2 GLU A 479 153.535 184.235 168.015 1.00 99.98 H +ATOM 7241 HB3 GLU A 479 155.120 184.259 168.076 1.00 99.98 H +ATOM 7242 HG2 GLU A 479 155.275 182.053 167.870 1.00104.00 H +ATOM 7243 HG3 GLU A 479 153.776 181.821 168.346 1.00104.00 H +ATOM 7244 N GLU A 480 155.842 185.594 170.520 1.00 72.39 N +ATOM 7245 CA GLU A 480 157.051 186.136 171.129 1.00 72.89 C +ATOM 7246 C GLU A 480 157.093 185.782 172.611 1.00 71.08 C +ATOM 7247 O GLU A 480 158.159 185.538 173.174 1.00 60.40 O +ATOM 7248 CB GLU A 480 157.114 187.654 170.944 1.00 64.84 C +ATOM 7249 CG GLU A 480 158.397 188.297 171.451 1.00 68.41 C +ATOM 7250 CD GLU A 480 158.349 189.812 171.391 1.00 74.33 C +ATOM 7251 OE1 GLU A 480 157.470 190.351 170.687 1.00 77.38 O +ATOM 7252 OE2 GLU A 480 159.186 190.464 172.051 1.00 77.66 O +ATOM 7253 H GLU A 480 155.312 186.192 170.203 1.00 86.87 H +ATOM 7254 HA GLU A 480 157.828 185.745 170.700 1.00 87.47 H +ATOM 7255 HB2 GLU A 480 157.037 187.855 169.999 1.00 77.80 H +ATOM 7256 HB3 GLU A 480 156.373 188.056 171.425 1.00 77.80 H +ATOM 7257 HG2 GLU A 480 158.538 188.037 172.375 1.00 82.09 H +ATOM 7258 HG3 GLU A 480 159.140 187.997 170.904 1.00 82.09 H +ATOM 7259 N LEU A 481 155.919 185.753 173.231 1.00 68.65 N +ATOM 7260 CA LEU A 481 155.799 185.426 174.646 1.00 56.85 C +ATOM 7261 C LEU A 481 156.151 183.965 174.907 1.00 55.79 C +ATOM 7262 O LEU A 481 157.046 183.668 175.698 1.00 54.39 O +ATOM 7263 CB LEU A 481 154.378 185.730 175.137 1.00 51.46 C +ATOM 7264 CG LEU A 481 153.919 185.125 176.469 1.00 59.85 C +ATOM 7265 CD1 LEU A 481 154.909 185.395 177.590 1.00 60.04 C +ATOM 7266 CD2 LEU A 481 152.550 185.670 176.837 1.00 53.72 C +ATOM 7267 H LEU A 481 155.167 185.921 172.849 1.00 82.38 H +ATOM 7268 HA LEU A 481 156.415 185.979 175.151 1.00 68.21 H +ATOM 7269 HB2 LEU A 481 154.295 186.693 175.223 1.00 61.75 H +ATOM 7270 HB3 LEU A 481 153.758 185.420 174.459 1.00 61.75 H +ATOM 7271 HG LEU A 481 153.840 184.163 176.366 1.00 71.82 H +ATOM 7272 HD11 LEU A 481 154.575 184.994 178.408 1.00 72.04 H +ATOM 7273 HD12 LEU A 481 155.766 185.006 177.356 1.00 72.04 H +ATOM 7274 HD13 LEU A 481 155.000 186.354 177.705 1.00 72.04 H +ATOM 7275 HD21 LEU A 481 152.271 185.280 177.680 1.00 64.47 H +ATOM 7276 HD22 LEU A 481 152.607 186.635 176.921 1.00 64.47 H +ATOM 7277 HD23 LEU A 481 151.919 185.436 176.138 1.00 64.47 H +ATOM 7278 N THR A 482 155.457 183.056 174.232 1.00 54.26 N +ATOM 7279 CA THR A 482 155.617 181.631 174.493 1.00 58.42 C +ATOM 7280 C THR A 482 156.773 181.019 173.698 1.00 60.84 C +ATOM 7281 O THR A 482 157.258 179.941 174.038 1.00 57.19 O +ATOM 7282 CB THR A 482 154.326 180.857 174.165 1.00 60.81 C +ATOM 7283 OG1 THR A 482 154.147 180.793 172.745 1.00 75.54 O +ATOM 7284 CG2 THR A 482 153.117 181.530 174.807 1.00 58.19 C +ATOM 7285 H THR A 482 154.885 183.239 173.617 1.00 65.11 H +ATOM 7286 HA THR A 482 155.807 181.506 175.436 1.00 70.11 H +ATOM 7287 HB THR A 482 154.396 179.956 174.519 1.00 72.97 H +ATOM 7288 HG1 THR A 482 153.443 180.371 172.563 1.00 90.65 H +ATOM 7289 HG21 THR A 482 152.310 181.035 174.594 1.00 69.83 H +ATOM 7290 HG22 THR A 482 153.225 181.557 175.771 1.00 69.83 H +ATOM 7291 HG23 THR A 482 153.027 182.437 174.474 1.00 69.83 H +ATOM 7292 N GLY A 483 157.215 181.710 172.649 1.00 64.98 N +ATOM 7293 CA GLY A 483 158.278 181.204 171.794 1.00 67.46 C +ATOM 7294 C GLY A 483 157.882 179.863 171.208 1.00 69.98 C +ATOM 7295 O GLY A 483 158.705 178.960 171.057 1.00 71.19 O +ATOM 7296 H GLY A 483 156.911 182.479 172.411 1.00 77.98 H +ATOM 7297 HA2 GLY A 483 158.446 181.828 171.071 1.00 80.95 H +ATOM 7298 HA3 GLY A 483 159.093 181.094 172.310 1.00 80.95 H +ATOM 7299 N GLU A 484 156.605 179.757 170.860 1.00 68.21 N +ATOM 7300 CA GLU A 484 155.978 178.480 170.575 1.00 63.67 C +ATOM 7301 C GLU A 484 154.644 178.767 169.871 1.00 75.56 C +ATOM 7302 O GLU A 484 154.219 179.919 169.827 1.00 71.14 O +ATOM 7303 CB GLU A 484 155.825 177.692 171.888 1.00 65.36 C +ATOM 7304 CG GLU A 484 154.824 176.555 171.899 1.00 72.16 C +ATOM 7305 CD GLU A 484 153.428 177.006 172.263 1.00 75.60 C +ATOM 7306 OE1 GLU A 484 152.568 176.127 172.454 1.00 78.23 O +ATOM 7307 OE2 GLU A 484 153.187 178.227 172.368 1.00 75.74 O +ATOM 7308 H GLU A 484 156.072 180.427 170.782 1.00 81.85 H +ATOM 7309 HA GLU A 484 156.541 177.969 169.973 1.00 76.40 H +ATOM 7310 HB2 GLU A 484 156.689 177.314 172.115 1.00 78.43 H +ATOM 7311 HB3 GLU A 484 155.557 178.314 172.583 1.00 78.43 H +ATOM 7312 HG2 GLU A 484 154.790 176.156 171.015 1.00 86.59 H +ATOM 7313 HG3 GLU A 484 155.105 175.893 172.550 1.00 86.59 H +ATOM 7314 N LYS A 485 154.002 177.750 169.300 1.00 85.35 N +ATOM 7315 CA LYS A 485 152.846 177.971 168.426 1.00 78.17 C +ATOM 7316 C LYS A 485 151.492 177.511 168.985 1.00 72.35 C +ATOM 7317 O LYS A 485 150.471 178.149 168.720 1.00 70.96 O +ATOM 7318 CB LYS A 485 153.095 177.274 167.084 1.00 81.02 C +ATOM 7319 CG LYS A 485 154.222 177.911 166.283 1.00 79.30 C +ATOM 7320 CD LYS A 485 153.745 178.295 164.891 1.00 74.25 C +ATOM 7321 CE LYS A 485 154.678 179.305 164.235 1.00 75.71 C +ATOM 7322 NZ LYS A 485 153.974 180.083 163.174 1.00 76.23 N +ATOM 7323 H LYS A 485 154.214 176.922 169.401 1.00102.42 H +ATOM 7324 HA LYS A 485 152.776 178.922 168.250 1.00 93.80 H +ATOM 7325 N GLU A 486 151.467 176.420 169.750 1.00 76.03 N +ATOM 7326 CA GLU A 486 150.197 175.881 170.237 1.00 76.82 C +ATOM 7327 C GLU A 486 149.545 176.779 171.291 1.00 74.21 C +ATOM 7328 O GLU A 486 148.428 177.260 171.103 1.00 71.22 O +ATOM 7329 CB GLU A 486 150.389 174.477 170.817 1.00 80.18 C +ATOM 7330 CG GLU A 486 151.063 173.498 169.872 1.00 85.78 C +ATOM 7331 CD GLU A 486 150.813 172.051 170.254 1.00100.43 C +ATOM 7332 OE1 GLU A 486 150.370 171.800 171.396 1.00 84.57 O +ATOM 7333 OE2 GLU A 486 151.055 171.164 169.408 1.00 94.05 O +ATOM 7334 H GLU A 486 152.162 175.978 169.998 1.00 91.24 H +ATOM 7335 HA GLU A 486 149.583 175.810 169.490 1.00 92.18 H +ATOM 7336 HB2 GLU A 486 150.938 174.543 171.614 1.00 96.22 H +ATOM 7337 HB3 GLU A 486 149.520 174.114 171.047 1.00 96.22 H +ATOM 7338 HG2 GLU A 486 150.718 173.635 168.976 1.00102.93 H +ATOM 7339 HG3 GLU A 486 152.020 173.652 169.887 1.00102.93 H +ATOM 7340 N MET A 487 150.244 176.986 172.404 1.00 80.56 N +ATOM 7341 CA MET A 487 149.735 177.801 173.501 1.00 77.76 C +ATOM 7342 C MET A 487 149.515 179.252 173.088 1.00 70.71 C +ATOM 7343 O MET A 487 148.559 179.891 173.530 1.00 67.87 O +ATOM 7344 CB MET A 487 150.697 177.750 174.687 1.00 79.52 C +ATOM 7345 CG MET A 487 150.889 176.363 175.280 1.00 79.75 C +ATOM 7346 SD MET A 487 151.966 176.377 176.725 1.00 70.27 S +ATOM 7347 CE MET A 487 153.471 177.055 176.030 1.00 73.08 C +ATOM 7348 H MET A 487 151.027 176.662 172.548 1.00 96.68 H +ATOM 7349 HA MET A 487 148.888 177.430 173.794 1.00 93.31 H +ATOM 7350 HB2 MET A 487 151.566 178.069 174.395 1.00 95.43 H +ATOM 7351 HB3 MET A 487 150.356 178.326 175.389 1.00 95.43 H +ATOM 7352 HG2 MET A 487 150.027 176.012 175.551 1.00 95.70 H +ATOM 7353 HG3 MET A 487 151.290 175.785 174.612 1.00 95.70 H +ATOM 7354 HE1 MET A 487 153.781 176.472 175.320 1.00 87.70 H +ATOM 7355 HE2 MET A 487 153.285 177.938 175.676 1.00 87.70 H +ATOM 7356 HE3 MET A 487 154.143 177.112 176.728 1.00 87.70 H +ATOM 7357 N SER A 488 150.409 179.776 172.255 1.00 60.74 N +ATOM 7358 CA SER A 488 150.273 181.140 171.756 1.00 68.92 C +ATOM 7359 C SER A 488 148.944 181.300 171.032 1.00 67.38 C +ATOM 7360 O SER A 488 148.260 182.312 171.180 1.00 65.54 O +ATOM 7361 CB SER A 488 151.428 181.495 170.823 1.00 70.18 C +ATOM 7362 OG SER A 488 151.567 180.528 169.798 1.00 75.63 O +ATOM 7363 H SER A 488 151.105 179.362 171.964 1.00 72.88 H +ATOM 7364 HA SER A 488 150.286 181.757 172.505 1.00 82.70 H +ATOM 7365 HB2 SER A 488 151.254 182.360 170.420 1.00 84.22 H +ATOM 7366 HB3 SER A 488 152.250 181.530 171.338 1.00 84.22 H +ATOM 7367 HG SER A 488 152.205 180.735 169.292 1.00 90.75 H +ATOM 7368 N ALA A 489 148.584 180.287 170.252 1.00 66.31 N +ATOM 7369 CA ALA A 489 147.303 180.271 169.559 1.00 66.31 C +ATOM 7370 C ALA A 489 146.158 180.170 170.561 1.00 67.86 C +ATOM 7371 O ALA A 489 145.119 180.808 170.394 1.00 72.39 O +ATOM 7372 CB ALA A 489 147.250 179.119 168.570 1.00 69.25 C +ATOM 7373 H ALA A 489 149.068 179.591 170.106 1.00 79.57 H +ATOM 7374 HA ALA A 489 147.200 181.099 169.064 1.00 79.57 H +ATOM 7375 HB1 ALA A 489 146.390 179.129 168.121 1.00 83.10 H +ATOM 7376 HB2 ALA A 489 147.964 179.227 167.922 1.00 83.10 H +ATOM 7377 HB3 ALA A 489 147.363 178.285 169.052 1.00 83.10 H +ATOM 7378 N GLU A 490 146.356 179.364 171.600 1.00 69.86 N +ATOM 7379 CA GLU A 490 145.366 179.212 172.661 1.00 66.43 C +ATOM 7380 C GLU A 490 145.156 180.523 173.412 1.00 67.43 C +ATOM 7381 O GLU A 490 144.034 180.859 173.790 1.00 61.28 O +ATOM 7382 CB GLU A 490 145.793 178.115 173.639 1.00 71.09 C +ATOM 7383 CG GLU A 490 145.542 176.698 173.144 1.00 85.14 C +ATOM 7384 CD GLU A 490 144.085 176.288 173.241 1.00 97.76 C +ATOM 7385 OE1 GLU A 490 143.266 177.094 173.729 1.00 99.40 O +ATOM 7386 OE2 GLU A 490 143.761 175.153 172.832 1.00104.26 O +ATOM 7387 H GLU A 490 147.064 178.890 171.714 1.00 83.84 H +ATOM 7388 HA GLU A 490 144.518 178.952 172.268 1.00 79.72 H +ATOM 7389 HB2 GLU A 490 146.744 178.203 173.808 1.00 85.30 H +ATOM 7390 HB3 GLU A 490 145.302 178.229 174.467 1.00 85.30 H +ATOM 7391 HG2 GLU A 490 145.809 176.638 172.213 1.00102.17 H +ATOM 7392 HG3 GLU A 490 146.064 176.080 173.679 1.00102.17 H +ATOM 7393 N LEU A 491 146.243 181.256 173.633 1.00 70.38 N +ATOM 7394 CA LEU A 491 146.175 182.523 174.352 1.00 78.67 C +ATOM 7395 C LEU A 491 145.396 183.566 173.565 1.00 76.04 C +ATOM 7396 O LEU A 491 144.535 184.253 174.113 1.00 65.07 O +ATOM 7397 CB LEU A 491 147.578 183.051 174.651 1.00 83.75 C +ATOM 7398 CG LEU A 491 148.325 182.470 175.850 1.00 61.15 C +ATOM 7399 CD1 LEU A 491 149.746 182.990 175.851 1.00 76.67 C +ATOM 7400 CD2 LEU A 491 147.628 182.830 177.155 1.00 53.24 C +ATOM 7401 H LEU A 491 147.034 181.040 173.376 1.00 84.45 H +ATOM 7402 HA LEU A 491 145.720 182.383 175.197 1.00 94.40 H +ATOM 7403 HB2 LEU A 491 148.130 182.888 173.870 1.00100.50 H +ATOM 7404 HB3 LEU A 491 147.512 184.007 174.797 1.00100.50 H +ATOM 7405 HG LEU A 491 148.353 181.503 175.775 1.00 73.38 H +ATOM 7406 HD11 LEU A 491 150.217 182.620 176.613 1.00 92.00 H +ATOM 7407 HD12 LEU A 491 150.182 182.719 175.028 1.00 92.00 H +ATOM 7408 HD13 LEU A 491 149.727 183.958 175.912 1.00 92.00 H +ATOM 7409 HD21 LEU A 491 148.125 182.447 177.895 1.00 63.89 H +ATOM 7410 HD22 LEU A 491 147.598 183.795 177.241 1.00 63.89 H +ATOM 7411 HD23 LEU A 491 146.727 182.470 177.141 1.00 63.89 H +ATOM 7412 N GLU A 492 145.707 183.689 172.278 1.00 76.86 N +ATOM 7413 CA GLU A 492 145.042 184.670 171.432 1.00 83.92 C +ATOM 7414 C GLU A 492 143.555 184.362 171.307 1.00 74.36 C +ATOM 7415 O GLU A 492 142.736 185.268 171.167 1.00 72.02 O +ATOM 7416 CB GLU A 492 145.687 184.717 170.047 1.00 75.67 C +ATOM 7417 CG GLU A 492 145.061 185.756 169.128 1.00 80.88 C +ATOM 7418 CD GLU A 492 145.974 186.166 167.990 1.00 78.72 C +ATOM 7419 OE1 GLU A 492 146.733 185.308 167.493 1.00 77.58 O +ATOM 7420 OE2 GLU A 492 145.936 187.352 167.597 1.00 79.99 O +ATOM 7421 H GLU A 492 146.299 183.216 171.872 1.00 92.24 H +ATOM 7422 HA GLU A 492 145.134 185.548 171.835 1.00100.71 H +ATOM 7423 HB2 GLU A 492 146.627 184.934 170.145 1.00 90.80 H +ATOM 7424 HB3 GLU A 492 145.590 183.849 169.626 1.00 90.80 H +ATOM 7425 HG2 GLU A 492 144.250 185.388 168.743 1.00 97.05 H +ATOM 7426 HG3 GLU A 492 144.852 186.550 169.645 1.00 97.05 H +ATOM 7427 N ALA A 493 143.210 183.082 171.361 1.00 68.76 N +ATOM 7428 CA ALA A 493 141.815 182.670 171.294 1.00 67.33 C +ATOM 7429 C ALA A 493 141.074 183.088 172.560 1.00 65.01 C +ATOM 7430 O ALA A 493 139.884 183.399 172.520 1.00 70.33 O +ATOM 7431 CB ALA A 493 141.715 181.171 171.090 1.00 68.58 C +ATOM 7432 H ALA A 493 143.767 182.431 171.437 1.00 82.51 H +ATOM 7433 HA ALA A 493 141.391 183.107 170.539 1.00 80.79 H +ATOM 7434 HB1 ALA A 493 140.779 180.920 171.049 1.00 82.30 H +ATOM 7435 HB2 ALA A 493 142.158 180.935 170.260 1.00 82.30 H +ATOM 7436 HB3 ALA A 493 142.146 180.722 171.834 1.00 82.30 H +ATOM 7437 N LEU A 494 141.789 183.098 173.680 1.00 77.00 N +ATOM 7438 CA LEU A 494 141.207 183.461 174.969 1.00 77.61 C +ATOM 7439 C LEU A 494 141.230 184.969 175.212 1.00 61.25 C +ATOM 7440 O LEU A 494 140.236 185.546 175.649 1.00 66.13 O +ATOM 7441 CB LEU A 494 141.950 182.749 176.103 1.00 70.36 C +ATOM 7442 CG LEU A 494 141.702 181.247 176.244 1.00 82.10 C +ATOM 7443 CD1 LEU A 494 142.761 180.616 177.135 1.00 72.48 C +ATOM 7444 CD2 LEU A 494 140.315 180.989 176.804 1.00 62.25 C +ATOM 7445 H LEU A 494 142.624 182.897 173.721 1.00 92.40 H +ATOM 7446 HA LEU A 494 140.282 183.169 174.990 1.00 93.13 H +ATOM 7447 HB2 LEU A 494 142.902 182.872 175.964 1.00 84.43 H +ATOM 7448 HB3 LEU A 494 141.692 183.163 176.941 1.00 84.43 H +ATOM 7449 HG LEU A 494 141.757 180.832 175.369 1.00 98.52 H +ATOM 7450 HD11 LEU A 494 142.584 179.665 177.210 1.00 86.97 H +ATOM 7451 HD12 LEU A 494 143.634 180.760 176.738 1.00 86.97 H +ATOM 7452 HD13 LEU A 494 142.723 181.030 178.012 1.00 86.97 H +ATOM 7453 HD21 LEU A 494 140.180 180.031 176.885 1.00 74.70 H +ATOM 7454 HD22 LEU A 494 140.243 181.408 177.676 1.00 74.70 H +ATOM 7455 HD23 LEU A 494 139.656 181.366 176.200 1.00 74.70 H +ATOM 7456 N TYR A 495 142.365 185.598 174.922 1.00 61.09 N +ATOM 7457 CA TYR A 495 142.573 187.008 175.247 1.00 66.68 C +ATOM 7458 C TYR A 495 142.378 187.937 174.053 1.00 70.14 C +ATOM 7459 O TYR A 495 141.895 189.059 174.208 1.00 64.95 O +ATOM 7460 CB TYR A 495 143.977 187.213 175.817 1.00 73.27 C +ATOM 7461 CG TYR A 495 144.141 186.731 177.240 1.00 78.47 C +ATOM 7462 CD1 TYR A 495 143.610 187.451 178.302 1.00 76.25 C +ATOM 7463 CD2 TYR A 495 144.838 185.564 177.525 1.00 70.79 C +ATOM 7464 CE1 TYR A 495 143.762 187.020 179.605 1.00 66.73 C +ATOM 7465 CE2 TYR A 495 144.994 185.127 178.827 1.00 70.24 C +ATOM 7466 CZ TYR A 495 144.454 185.859 179.860 1.00 62.21 C +ATOM 7467 OH TYR A 495 144.606 185.428 181.155 1.00 67.39 O +ATOM 7468 H TYR A 495 143.037 185.228 174.533 1.00 73.30 H +ATOM 7469 HA TYR A 495 141.936 187.268 175.931 1.00 80.02 H +ATOM 7470 HB2 TYR A 495 144.611 186.729 175.266 1.00 87.92 H +ATOM 7471 HB3 TYR A 495 144.185 188.161 175.800 1.00 87.92 H +ATOM 7472 HD1 TYR A 495 143.142 188.237 178.133 1.00 91.50 H +ATOM 7473 HD2 TYR A 495 145.204 185.068 176.829 1.00 84.94 H +ATOM 7474 HE1 TYR A 495 143.399 187.512 180.306 1.00 80.08 H +ATOM 7475 HE2 TYR A 495 145.461 184.342 179.003 1.00 84.29 H +ATOM 7476 HH TYR A 495 144.231 185.963 181.682 1.00 80.87 H +ATOM 7477 N GLY A 496 142.768 187.478 172.868 1.00 72.38 N +ATOM 7478 CA GLY A 496 142.666 188.288 171.665 1.00 73.30 C +ATOM 7479 C GLY A 496 143.822 189.261 171.519 1.00 76.04 C +ATOM 7480 O GLY A 496 144.519 189.261 170.505 1.00 76.60 O +ATOM 7481 H GLY A 496 143.097 186.694 172.735 1.00 86.86 H +ATOM 7482 HA2 GLY A 496 142.651 187.710 170.887 1.00 87.96 H +ATOM 7483 HA3 GLY A 496 141.839 188.795 171.687 1.00 87.96 H +ATOM 7484 N ASP A 497 144.019 190.090 172.540 1.00 79.85 N +ATOM 7485 CA ASP A 497 145.070 191.101 172.539 1.00 65.26 C +ATOM 7486 C ASP A 497 146.190 190.690 173.490 1.00 64.31 C +ATOM 7487 O ASP A 497 145.930 190.269 174.616 1.00 68.66 O +ATOM 7488 CB ASP A 497 144.492 192.460 172.945 1.00 66.88 C +ATOM 7489 CG ASP A 497 145.401 193.618 172.587 1.00 70.55 C +ATOM 7490 OD1 ASP A 497 146.638 193.448 172.612 1.00 71.27 O +ATOM 7491 OD2 ASP A 497 144.872 194.707 172.279 1.00 77.30 O +ATOM 7492 H ASP A 497 143.547 190.085 173.259 1.00 95.82 H +ATOM 7493 HA ASP A 497 145.441 191.181 171.646 1.00 78.31 H +ATOM 7494 HB2 ASP A 497 143.646 192.591 172.489 1.00 80.26 H +ATOM 7495 HB3 ASP A 497 144.356 192.471 173.905 1.00 80.26 H +ATOM 7496 N ILE A 498 147.433 190.801 173.034 1.00 65.00 N +ATOM 7497 CA ILE A 498 148.577 190.436 173.862 1.00 68.78 C +ATOM 7498 C ILE A 498 148.657 191.349 175.082 1.00 64.58 C +ATOM 7499 O ILE A 498 149.153 190.949 176.133 1.00 60.72 O +ATOM 7500 CB ILE A 498 149.906 190.499 173.063 1.00 58.28 C +ATOM 7501 CG1 ILE A 498 151.099 190.081 173.933 1.00 54.65 C +ATOM 7502 CG2 ILE A 498 150.132 191.892 172.493 1.00 64.50 C +ATOM 7503 CD1 ILE A 498 151.050 188.640 174.406 1.00 53.54 C +ATOM 7504 H ILE A 498 147.642 191.085 172.250 1.00 78.00 H +ATOM 7505 HA ILE A 498 148.461 189.525 174.177 1.00 82.54 H +ATOM 7506 HB ILE A 498 149.842 189.877 172.321 1.00 69.93 H +ATOM 7507 HG12 ILE A 498 151.914 190.194 173.419 1.00 65.58 H +ATOM 7508 HG13 ILE A 498 151.126 190.649 174.718 1.00 65.58 H +ATOM 7509 HG21 ILE A 498 150.968 191.899 172.001 1.00 77.40 H +ATOM 7510 HG22 ILE A 498 149.397 192.113 171.901 1.00 77.40 H +ATOM 7511 HG23 ILE A 498 150.172 192.529 173.224 1.00 77.40 H +ATOM 7512 HD11 ILE A 498 151.835 188.459 174.946 1.00 64.24 H +ATOM 7513 HD12 ILE A 498 150.247 188.510 174.935 1.00 64.24 H +ATOM 7514 HD13 ILE A 498 151.037 188.054 173.633 1.00 64.24 H +ATOM 7515 N ASP A 499 148.152 192.572 174.944 1.00 63.36 N +ATOM 7516 CA ASP A 499 148.125 193.518 176.055 1.00 56.67 C +ATOM 7517 C ASP A 499 147.009 193.194 177.050 1.00 63.17 C +ATOM 7518 O ASP A 499 146.848 193.890 178.051 1.00 57.58 O +ATOM 7519 CB ASP A 499 147.949 194.949 175.540 1.00 67.41 C +ATOM 7520 CG ASP A 499 149.073 195.384 174.622 1.00 86.95 C +ATOM 7521 OD1 ASP A 499 150.173 195.686 175.131 1.00 84.53 O +ATOM 7522 OD2 ASP A 499 148.857 195.434 173.392 1.00 95.64 O +ATOM 7523 H ASP A 499 147.817 192.879 174.213 1.00 76.04 H +ATOM 7524 HA ASP A 499 148.970 193.473 176.528 1.00 68.00 H +ATOM 7525 HB2 ASP A 499 147.117 195.006 175.044 1.00 80.89 H +ATOM 7526 HB3 ASP A 499 147.927 195.556 176.296 1.00 80.89 H +ATOM 7527 N ALA A 500 146.244 192.143 176.768 1.00 59.24 N +ATOM 7528 CA ALA A 500 145.141 191.733 177.636 1.00 55.69 C +ATOM 7529 C ALA A 500 145.496 190.493 178.453 1.00 53.28 C +ATOM 7530 O ALA A 500 144.729 190.079 179.321 1.00 60.17 O +ATOM 7531 CB ALA A 500 143.894 191.475 176.813 1.00 56.28 C +ATOM 7532 H ALA A 500 146.344 191.645 176.074 1.00 71.09 H +ATOM 7533 HA ALA A 500 144.946 192.453 178.256 1.00 66.83 H +ATOM 7534 HB1 ALA A 500 143.176 191.204 177.407 1.00 67.53 H +ATOM 7535 HB2 ALA A 500 143.650 192.289 176.347 1.00 67.53 H +ATOM 7536 HB3 ALA A 500 144.079 190.769 176.174 1.00 67.53 H +ATOM 7537 N VAL A 501 146.652 189.899 178.179 1.00 53.21 N +ATOM 7538 CA VAL A 501 147.077 188.716 178.916 1.00 62.16 C +ATOM 7539 C VAL A 501 147.355 189.080 180.371 1.00 57.96 C +ATOM 7540 O VAL A 501 148.003 190.085 180.657 1.00 46.66 O +ATOM 7541 CB VAL A 501 148.335 188.075 178.302 1.00 94.32 C +ATOM 7542 CG1 VAL A 501 148.669 186.772 179.020 1.00 89.10 C +ATOM 7543 CG2 VAL A 501 148.130 187.817 176.819 1.00 89.39 C +ATOM 7544 H VAL A 501 147.206 190.160 177.575 1.00 63.86 H +ATOM 7545 HA VAL A 501 146.364 188.058 178.899 1.00 74.59 H +ATOM 7546 HB VAL A 501 149.086 188.680 178.405 1.00113.19 H +ATOM 7547 HG11 VAL A 501 149.463 186.386 178.619 1.00106.92 H +ATOM 7548 HG12 VAL A 501 148.830 186.962 179.958 1.00106.92 H +ATOM 7549 HG13 VAL A 501 147.921 186.161 178.930 1.00106.92 H +ATOM 7550 HG21 VAL A 501 148.934 187.414 176.455 1.00107.27 H +ATOM 7551 HG22 VAL A 501 147.377 187.217 176.704 1.00107.27 H +ATOM 7552 HG23 VAL A 501 147.952 188.661 176.374 1.00107.27 H +ATOM 7553 N GLU A 502 146.860 188.251 181.283 1.00 61.87 N +ATOM 7554 CA GLU A 502 147.004 188.497 182.711 1.00 49.34 C +ATOM 7555 C GLU A 502 148.380 188.083 183.219 1.00 47.98 C +ATOM 7556 O GLU A 502 149.101 187.339 182.556 1.00 46.10 O +ATOM 7557 CB GLU A 502 145.914 187.758 183.483 1.00 50.97 C +ATOM 7558 CG GLU A 502 144.547 188.401 183.374 1.00 53.28 C +ATOM 7559 CD GLU A 502 143.434 187.470 183.800 1.00 52.68 C +ATOM 7560 OE1 GLU A 502 142.893 187.653 184.909 1.00 49.31 O +ATOM 7561 OE2 GLU A 502 143.097 186.554 183.021 1.00 60.97 O +ATOM 7562 H GLU A 502 146.430 187.530 181.097 1.00 74.24 H +ATOM 7563 HA GLU A 502 146.897 189.447 182.879 1.00 59.21 H +ATOM 7564 HB2 GLU A 502 145.845 186.854 183.138 1.00 61.16 H +ATOM 7565 HB3 GLU A 502 146.157 187.734 184.422 1.00 61.16 H +ATOM 7566 HG2 GLU A 502 144.519 189.185 183.945 1.00 63.93 H +ATOM 7567 HG3 GLU A 502 144.390 188.656 182.451 1.00 63.93 H +ATOM 7568 N LEU A 503 148.729 188.566 184.406 1.00 47.61 N +ATOM 7569 CA LEU A 503 150.059 188.365 184.969 1.00 44.35 C +ATOM 7570 C LEU A 503 150.392 186.896 185.228 1.00 44.22 C +ATOM 7571 O LEU A 503 151.380 186.380 184.706 1.00 41.91 O +ATOM 7572 CB LEU A 503 150.194 189.158 186.273 1.00 43.54 C +ATOM 7573 CG LEU A 503 151.463 188.921 187.097 1.00 47.41 C +ATOM 7574 CD1 LEU A 503 152.711 189.196 186.271 1.00 40.95 C +ATOM 7575 CD2 LEU A 503 151.452 189.779 188.353 1.00 33.18 C +ATOM 7576 H LEU A 503 148.204 189.021 184.914 1.00 57.13 H +ATOM 7577 HA LEU A 503 150.715 188.710 184.344 1.00 53.22 H +ATOM 7578 HB2 LEU A 503 150.165 190.103 186.056 1.00 52.25 H +ATOM 7579 HB3 LEU A 503 149.439 188.937 186.840 1.00 52.25 H +ATOM 7580 HG LEU A 503 151.488 187.992 187.372 1.00 56.89 H +ATOM 7581 HD11 LEU A 503 153.494 189.037 186.821 1.00 49.15 H +ATOM 7582 HD12 LEU A 503 152.718 188.601 185.504 1.00 49.15 H +ATOM 7583 HD13 LEU A 503 152.696 190.119 185.974 1.00 49.15 H +ATOM 7584 HD21 LEU A 503 152.264 189.612 188.857 1.00 39.81 H +ATOM 7585 HD22 LEU A 503 151.407 190.713 188.097 1.00 39.81 H +ATOM 7586 HD23 LEU A 503 150.677 189.545 188.888 1.00 39.81 H +ATOM 7587 N TYR A 504 149.575 186.228 186.037 1.00 45.89 N +ATOM 7588 CA TYR A 504 149.903 184.880 186.502 1.00 46.33 C +ATOM 7589 C TYR A 504 150.013 183.852 185.374 1.00 49.40 C +ATOM 7590 O TYR A 504 150.989 183.106 185.318 1.00 54.32 O +ATOM 7591 CB TYR A 504 148.875 184.400 187.526 1.00 43.89 C +ATOM 7592 CG TYR A 504 149.168 183.019 188.059 1.00 40.51 C +ATOM 7593 CD1 TYR A 504 148.291 181.966 187.843 1.00 50.75 C +ATOM 7594 CD2 TYR A 504 150.334 182.766 188.763 1.00 46.84 C +ATOM 7595 CE1 TYR A 504 148.562 180.700 188.326 1.00 56.27 C +ATOM 7596 CE2 TYR A 504 150.616 181.505 189.247 1.00 52.18 C +ATOM 7597 CZ TYR A 504 149.728 180.477 189.028 1.00 56.93 C +ATOM 7598 OH TYR A 504 150.010 179.221 189.511 1.00 61.56 O +ATOM 7599 H TYR A 504 148.826 186.531 186.332 1.00 55.07 H +ATOM 7600 HA TYR A 504 150.764 184.913 186.948 1.00 55.60 H +ATOM 7601 HB2 TYR A 504 148.867 185.014 188.277 1.00 52.67 H +ATOM 7602 HB3 TYR A 504 148.000 184.378 187.108 1.00 52.67 H +ATOM 7603 HD1 TYR A 504 147.504 182.117 187.371 1.00 60.90 H +ATOM 7604 HD2 TYR A 504 150.936 183.458 188.914 1.00 56.21 H +ATOM 7605 HE1 TYR A 504 147.964 180.003 188.178 1.00 67.53 H +ATOM 7606 HE2 TYR A 504 151.401 181.352 189.721 1.00 62.62 H +ATOM 7607 HH TYR A 504 150.746 179.228 189.916 1.00 73.87 H +ATOM 7608 N PRO A 505 149.017 183.800 184.472 1.00 49.48 N +ATOM 7609 CA PRO A 505 149.103 182.792 183.410 1.00 48.42 C +ATOM 7610 C PRO A 505 150.305 183.005 182.498 1.00 50.78 C +ATOM 7611 O PRO A 505 150.957 182.041 182.102 1.00 50.28 O +ATOM 7612 CB PRO A 505 147.792 182.982 182.634 1.00 54.58 C +ATOM 7613 CG PRO A 505 146.899 183.748 183.546 1.00 55.30 C +ATOM 7614 CD PRO A 505 147.804 184.624 184.338 1.00 53.09 C +ATOM 7615 HA PRO A 505 149.132 181.899 183.787 1.00 58.11 H +ATOM 7616 HB2 PRO A 505 147.964 183.484 181.822 1.00 65.49 H +ATOM 7617 HB3 PRO A 505 147.408 182.116 182.426 1.00 65.49 H +ATOM 7618 HG2 PRO A 505 146.278 184.279 183.024 1.00 66.36 H +ATOM 7619 HG3 PRO A 505 146.422 183.134 184.126 1.00 66.36 H +ATOM 7620 HD2 PRO A 505 147.999 185.440 183.852 1.00 63.71 H +ATOM 7621 HD3 PRO A 505 147.421 184.809 185.210 1.00 63.71 H +ATOM 7622 N ALA A 506 150.588 184.263 182.177 1.00 43.63 N +ATOM 7623 CA ALA A 506 151.702 184.604 181.305 1.00 43.35 C +ATOM 7624 C ALA A 506 153.029 184.138 181.898 1.00 47.18 C +ATOM 7625 O ALA A 506 153.902 183.664 181.176 1.00 56.59 O +ATOM 7626 CB ALA A 506 151.732 186.095 181.057 1.00 41.22 C +ATOM 7627 H ALA A 506 150.144 184.944 182.456 1.00 52.35 H +ATOM 7628 HA ALA A 506 151.583 184.160 180.451 1.00 52.02 H +ATOM 7629 HB1 ALA A 506 152.480 186.303 180.475 1.00 49.47 H +ATOM 7630 HB2 ALA A 506 150.900 186.362 180.636 1.00 49.47 H +ATOM 7631 HB3 ALA A 506 151.836 186.553 181.906 1.00 49.47 H +ATOM 7632 N LEU A 507 153.171 184.272 183.213 1.00 50.95 N +ATOM 7633 CA LEU A 507 154.395 183.870 183.903 1.00 49.55 C +ATOM 7634 C LEU A 507 154.693 182.387 183.729 1.00 54.08 C +ATOM 7635 O LEU A 507 155.855 181.989 183.654 1.00 48.81 O +ATOM 7636 CB LEU A 507 154.300 184.192 185.397 1.00 58.21 C +ATOM 7637 CG LEU A 507 154.512 185.643 185.829 1.00 44.70 C +ATOM 7638 CD1 LEU A 507 154.192 185.794 187.306 1.00 47.30 C +ATOM 7639 CD2 LEU A 507 155.934 186.091 185.545 1.00 45.34 C +ATOM 7640 H LEU A 507 152.568 184.596 183.734 1.00 61.14 H +ATOM 7641 HA LEU A 507 155.141 184.370 183.536 1.00 59.45 H +ATOM 7642 HB2 LEU A 507 153.416 183.932 185.702 1.00 69.85 H +ATOM 7643 HB3 LEU A 507 154.965 183.659 185.860 1.00 69.85 H +ATOM 7644 HG LEU A 507 153.909 186.215 185.329 1.00 53.64 H +ATOM 7645 HD11 LEU A 507 154.331 186.719 187.565 1.00 56.76 H +ATOM 7646 HD12 LEU A 507 153.267 185.544 187.456 1.00 56.76 H +ATOM 7647 HD13 LEU A 507 154.779 185.215 187.817 1.00 56.76 H +ATOM 7648 HD21 LEU A 507 156.037 187.013 185.829 1.00 54.41 H +ATOM 7649 HD22 LEU A 507 156.548 185.523 186.035 1.00 54.41 H +ATOM 7650 HD23 LEU A 507 156.104 186.018 184.592 1.00 54.41 H +ATOM 7651 N LEU A 508 153.645 181.572 183.673 1.00 48.80 N +ATOM 7652 CA LEU A 508 153.809 180.123 183.605 1.00 56.86 C +ATOM 7653 C LEU A 508 153.933 179.610 182.171 1.00 62.46 C +ATOM 7654 O LEU A 508 154.560 178.576 181.940 1.00 66.17 O +ATOM 7655 CB LEU A 508 152.643 179.427 184.308 1.00 54.82 C +ATOM 7656 CG LEU A 508 152.500 179.706 185.811 1.00 62.43 C +ATOM 7657 CD1 LEU A 508 151.410 178.838 186.408 1.00 65.56 C +ATOM 7658 CD2 LEU A 508 153.809 179.485 186.553 1.00 64.64 C +ATOM 7659 H LEU A 508 152.825 181.833 183.672 1.00 58.56 H +ATOM 7660 HA LEU A 508 154.623 179.882 184.074 1.00 68.23 H +ATOM 7661 HB2 LEU A 508 151.818 179.708 183.882 1.00 65.79 H +ATOM 7662 HB3 LEU A 508 152.751 178.469 184.201 1.00 65.79 H +ATOM 7663 HG LEU A 508 152.242 180.633 185.933 1.00 74.91 H +ATOM 7664 HD11 LEU A 508 151.338 179.031 187.356 1.00 78.67 H +ATOM 7665 HD12 LEU A 508 150.570 179.037 185.964 1.00 78.67 H +ATOM 7666 HD13 LEU A 508 151.642 177.906 186.276 1.00 78.67 H +ATOM 7667 HD21 LEU A 508 153.672 179.672 187.495 1.00 77.56 H +ATOM 7668 HD22 LEU A 508 154.087 178.563 186.436 1.00 77.56 H +ATOM 7669 HD23 LEU A 508 154.481 180.083 186.191 1.00 77.56 H +ATOM 7670 N VAL A 509 153.346 180.322 181.215 1.00 61.14 N +ATOM 7671 CA VAL A 509 153.454 179.931 179.811 1.00 69.07 C +ATOM 7672 C VAL A 509 154.617 180.637 179.120 1.00 60.53 C +ATOM 7673 O VAL A 509 154.857 180.419 177.933 1.00 59.82 O +ATOM 7674 CB VAL A 509 152.160 180.231 179.014 1.00 55.82 C +ATOM 7675 CG1 VAL A 509 150.969 179.526 179.642 1.00 47.72 C +ATOM 7676 CG2 VAL A 509 151.914 181.731 178.920 1.00 58.04 C +ATOM 7677 H VAL A 509 152.881 181.033 181.350 1.00 73.37 H +ATOM 7678 HA VAL A 509 153.617 178.976 179.764 1.00 82.88 H +ATOM 7679 HB VAL A 509 152.264 179.891 178.112 1.00 66.98 H +ATOM 7680 HG11 VAL A 509 150.173 179.730 179.125 1.00 57.27 H +ATOM 7681 HG12 VAL A 509 151.130 178.569 179.637 1.00 57.27 H +ATOM 7682 HG13 VAL A 509 150.861 179.839 180.553 1.00 57.27 H +ATOM 7683 HG21 VAL A 509 151.100 181.886 178.417 1.00 69.64 H +ATOM 7684 HG22 VAL A 509 151.825 182.092 179.816 1.00 69.64 H +ATOM 7685 HG23 VAL A 509 152.666 182.146 178.469 1.00 69.64 H +ATOM 7686 N GLU A 510 155.337 181.482 179.852 1.00 60.28 N +ATOM 7687 CA GLU A 510 156.422 182.253 179.252 1.00 56.73 C +ATOM 7688 C GLU A 510 157.558 181.351 178.791 1.00 56.94 C +ATOM 7689 O GLU A 510 157.893 180.365 179.445 1.00 49.25 O +ATOM 7690 CB GLU A 510 156.969 183.296 180.231 1.00 52.78 C +ATOM 7691 CG GLU A 510 158.006 184.221 179.601 1.00 57.66 C +ATOM 7692 CD GLU A 510 158.519 185.293 180.549 1.00 61.21 C +ATOM 7693 OE1 GLU A 510 158.547 185.054 181.776 1.00 53.40 O +ATOM 7694 OE2 GLU A 510 158.896 186.379 180.060 1.00 53.59 O +ATOM 7695 H GLU A 510 155.219 181.628 180.691 1.00 72.34 H +ATOM 7696 HA GLU A 510 156.081 182.723 178.476 1.00 68.07 H +ATOM 7697 HB2 GLU A 510 156.235 183.843 180.551 1.00 63.34 H +ATOM 7698 HB3 GLU A 510 157.390 182.838 180.976 1.00 63.34 H +ATOM 7699 HG2 GLU A 510 158.766 183.692 179.312 1.00 69.19 H +ATOM 7700 HG3 GLU A 510 157.606 184.667 178.837 1.00 69.19 H +ATOM 7701 N LYS A 511 158.133 181.704 177.647 1.00 55.06 N +ATOM 7702 CA LYS A 511 159.337 181.064 177.140 1.00 51.31 C +ATOM 7703 C LYS A 511 160.426 181.039 178.216 1.00 50.30 C +ATOM 7704 O LYS A 511 160.895 182.094 178.644 1.00 48.31 O +ATOM 7705 CB LYS A 511 159.832 181.810 175.901 1.00 59.35 C +ATOM 7706 CG LYS A 511 161.056 181.215 175.221 1.00 73.73 C +ATOM 7707 CD LYS A 511 161.768 182.281 174.402 1.00 87.62 C +ATOM 7708 CE LYS A 511 162.439 181.705 173.167 1.00101.94 C +ATOM 7709 NZ LYS A 511 163.435 180.650 173.492 1.00107.09 N +ATOM 7710 H LYS A 511 157.836 182.328 177.135 1.00 66.07 H +ATOM 7711 HA LYS A 511 159.134 180.149 176.887 1.00 61.57 H +ATOM 7712 HB2 LYS A 511 159.116 181.827 175.247 1.00 71.22 H +ATOM 7713 HB3 LYS A 511 160.056 182.718 176.159 1.00 71.22 H +ATOM 7714 HG2 LYS A 511 161.670 180.880 175.893 1.00 88.48 H +ATOM 7715 HG3 LYS A 511 160.781 180.501 174.625 1.00 88.48 H +ATOM 7716 HD2 LYS A 511 161.122 182.944 174.113 1.00105.15 H +ATOM 7717 HD3 LYS A 511 162.451 182.698 174.950 1.00105.15 H +ATOM 7718 HE2 LYS A 511 161.762 181.313 172.594 1.00122.32 H +ATOM 7719 HE3 LYS A 511 162.899 182.418 172.697 1.00122.32 H +ATOM 7720 HZ1 LYS A 511 163.804 180.340 172.744 1.00128.51 H +ATOM 7721 HZ2 LYS A 511 164.074 180.986 174.013 1.00128.51 H +ATOM 7722 HZ3 LYS A 511 163.037 179.978 173.919 1.00128.51 H +ATOM 7723 N PRO A 512 160.828 179.841 178.670 1.00 51.20 N +ATOM 7724 CA PRO A 512 161.907 179.808 179.663 1.00 52.03 C +ATOM 7725 C PRO A 512 163.237 180.282 179.096 1.00 48.21 C +ATOM 7726 O PRO A 512 163.405 180.320 177.878 1.00 62.01 O +ATOM 7727 CB PRO A 512 161.992 178.324 180.048 1.00 46.64 C +ATOM 7728 CG PRO A 512 160.718 177.715 179.586 1.00 45.72 C +ATOM 7729 CD PRO A 512 160.298 178.496 178.391 1.00 47.36 C +ATOM 7730 HA PRO A 512 161.673 180.336 180.443 1.00 62.44 H +ATOM 7731 HB2 PRO A 512 162.749 177.915 179.600 1.00 55.96 H +ATOM 7732 HB3 PRO A 512 162.080 178.242 181.011 1.00 55.96 H +ATOM 7733 HG2 PRO A 512 160.869 176.787 179.349 1.00 54.86 H +ATOM 7734 HG3 PRO A 512 160.052 177.784 180.288 1.00 54.86 H +ATOM 7735 HD2 PRO A 512 160.702 178.132 177.588 1.00 56.83 H +ATOM 7736 HD3 PRO A 512 159.330 178.520 178.324 1.00 56.83 H +ATOM 7737 N ARG A 513 164.170 180.641 179.971 1.00 54.50 N +ATOM 7738 CA ARG A 513 165.551 180.835 179.558 1.00 55.79 C +ATOM 7739 C ARG A 513 166.097 179.474 179.130 1.00 55.67 C +ATOM 7740 O ARG A 513 165.522 178.445 179.481 1.00 46.47 O +ATOM 7741 CB ARG A 513 166.394 181.433 180.688 1.00 68.69 C +ATOM 7742 CG ARG A 513 166.756 182.903 180.510 1.00 63.84 C +ATOM 7743 CD ARG A 513 165.555 183.819 180.682 1.00 76.98 C +ATOM 7744 NE ARG A 513 165.948 185.227 180.744 1.00 74.14 N +ATOM 7745 CZ ARG A 513 166.286 185.872 181.857 1.00 65.20 C +ATOM 7746 NH1 ARG A 513 166.286 185.249 183.028 1.00 69.87 N +ATOM 7747 NH2 ARG A 513 166.629 187.153 181.803 1.00 65.29 N +ATOM 7748 H ARG A 513 164.028 180.779 180.808 1.00 65.40 H +ATOM 7749 HA ARG A 513 165.583 181.435 178.797 1.00 66.95 H +ATOM 7750 HB2 ARG A 513 165.899 181.351 181.518 1.00 82.43 H +ATOM 7751 HB3 ARG A 513 167.223 180.933 180.753 1.00 82.43 H +ATOM 7752 HG2 ARG A 513 167.419 183.149 181.174 1.00 76.61 H +ATOM 7753 HG3 ARG A 513 167.111 183.037 179.618 1.00 76.61 H +ATOM 7754 HD2 ARG A 513 164.956 183.704 179.927 1.00 92.38 H +ATOM 7755 HD3 ARG A 513 165.099 183.595 181.508 1.00 92.38 H +ATOM 7756 HE ARG A 513 165.962 185.670 180.007 1.00 88.96 H +ATOM 7757 HH11 ARG A 513 166.066 184.419 183.074 1.00 83.84 H +ATOM 7758 HH12 ARG A 513 166.507 185.675 183.742 1.00 83.84 H +ATOM 7759 HH21 ARG A 513 166.631 187.566 181.049 1.00 78.35 H +ATOM 7760 HH22 ARG A 513 166.847 187.571 182.522 1.00 78.35 H +ATOM 7761 N PRO A 514 167.206 179.460 178.373 1.00 58.49 N +ATOM 7762 CA PRO A 514 167.762 178.198 177.868 1.00 60.58 C +ATOM 7763 C PRO A 514 168.051 177.182 178.974 1.00 60.17 C +ATOM 7764 O PRO A 514 168.916 177.414 179.816 1.00 57.06 O +ATOM 7765 CB PRO A 514 169.058 178.639 177.176 1.00 61.68 C +ATOM 7766 CG PRO A 514 168.840 180.068 176.832 1.00 71.52 C +ATOM 7767 CD PRO A 514 167.986 180.626 177.924 1.00 59.67 C +ATOM 7768 HA PRO A 514 167.166 177.803 177.213 1.00 72.70 H +ATOM 7769 HB2 PRO A 514 169.805 178.542 177.787 1.00 74.02 H +ATOM 7770 HB3 PRO A 514 169.198 178.110 176.375 1.00 74.02 H +ATOM 7771 HG2 PRO A 514 169.693 180.528 176.799 1.00 85.83 H +ATOM 7772 HG3 PRO A 514 168.385 180.130 175.978 1.00 85.83 H +ATOM 7773 HD2 PRO A 514 168.538 180.962 178.648 1.00 71.60 H +ATOM 7774 HD3 PRO A 514 167.397 181.313 177.576 1.00 71.60 H +ATOM 7775 N ASP A 515 167.321 176.068 178.958 1.00 66.50 N +ATOM 7776 CA ASP A 515 167.441 175.038 179.988 1.00 74.92 C +ATOM 7777 C ASP A 515 167.311 175.632 181.391 1.00 68.42 C +ATOM 7778 O ASP A 515 167.963 175.178 182.332 1.00 58.19 O +ATOM 7779 CB ASP A 515 168.771 174.294 179.855 1.00 80.82 C +ATOM 7780 CG ASP A 515 168.884 173.533 178.550 1.00 81.07 C +ATOM 7781 OD1 ASP A 515 168.260 172.458 178.433 1.00 82.15 O +ATOM 7782 OD2 ASP A 515 169.601 174.008 177.644 1.00 70.15 O +ATOM 7783 H ASP A 515 166.740 175.883 178.352 1.00 79.80 H +ATOM 7784 HA ASP A 515 166.726 174.393 179.871 1.00 89.91 H +ATOM 7785 HB2 ASP A 515 169.497 174.936 179.892 1.00 96.99 H +ATOM 7786 HB3 ASP A 515 168.852 173.657 180.582 1.00 96.99 H +ATOM 7787 N ALA A 516 166.468 176.652 181.516 1.00 68.94 N +ATOM 7788 CA ALA A 516 166.216 177.303 182.797 1.00 56.39 C +ATOM 7789 C ALA A 516 164.830 176.941 183.310 1.00 58.28 C +ATOM 7790 O ALA A 516 163.961 176.518 182.547 1.00 57.96 O +ATOM 7791 CB ALA A 516 166.355 178.805 182.666 1.00 48.64 C +ATOM 7792 H ALA A 516 166.023 176.991 180.863 1.00 82.72 H +ATOM 7793 HA ALA A 516 166.868 176.994 183.444 1.00 67.66 H +ATOM 7794 HB1 ALA A 516 166.183 179.214 183.529 1.00 58.37 H +ATOM 7795 HB2 ALA A 516 167.256 179.014 182.375 1.00 58.37 H +ATOM 7796 HB3 ALA A 516 165.713 179.126 182.014 1.00 58.37 H +ATOM 7797 N ILE A 517 164.629 177.114 184.611 1.00 61.72 N +ATOM 7798 CA ILE A 517 163.359 176.789 185.238 1.00 67.29 C +ATOM 7799 C ILE A 517 162.345 177.914 185.027 1.00 61.73 C +ATOM 7800 O ILE A 517 161.139 177.674 184.994 1.00 55.55 O +ATOM 7801 CB ILE A 517 163.541 176.517 186.751 1.00 62.11 C +ATOM 7802 CG1 ILE A 517 162.246 175.975 187.356 1.00 58.87 C +ATOM 7803 CG2 ILE A 517 163.994 177.780 187.475 1.00 60.82 C +ATOM 7804 CD1 ILE A 517 162.402 175.473 188.778 1.00 52.02 C +ATOM 7805 H ILE A 517 165.219 177.422 185.155 1.00 74.06 H +ATOM 7806 HA ILE A 517 163.002 175.984 184.830 1.00 80.75 H +ATOM 7807 HB ILE A 517 164.231 175.843 186.857 1.00 74.53 H +ATOM 7808 HG12 ILE A 517 161.583 176.683 187.363 1.00 70.65 H +ATOM 7809 HG13 ILE A 517 161.932 175.235 186.813 1.00 70.65 H +ATOM 7810 HG21 ILE A 517 164.100 177.582 188.419 1.00 72.98 H +ATOM 7811 HG22 ILE A 517 164.839 178.072 187.101 1.00 72.98 H +ATOM 7812 HG23 ILE A 517 163.322 178.470 187.356 1.00 72.98 H +ATOM 7813 HD11 ILE A 517 161.544 175.146 189.093 1.00 62.43 H +ATOM 7814 HD12 ILE A 517 163.054 174.755 188.789 1.00 62.43 H +ATOM 7815 HD13 ILE A 517 162.705 176.204 189.339 1.00 62.43 H +ATOM 7816 N PHE A 518 162.847 179.136 184.872 1.00 58.46 N +ATOM 7817 CA PHE A 518 162.000 180.322 184.747 1.00 56.68 C +ATOM 7818 C PHE A 518 162.201 181.056 183.428 1.00 49.78 C +ATOM 7819 O PHE A 518 163.226 180.905 182.764 1.00 46.19 O +ATOM 7820 CB PHE A 518 162.274 181.299 185.894 1.00 54.42 C +ATOM 7821 CG PHE A 518 161.949 180.756 187.252 1.00 48.14 C +ATOM 7822 CD1 PHE A 518 160.754 180.098 187.486 1.00 50.59 C +ATOM 7823 CD2 PHE A 518 162.843 180.902 188.298 1.00 53.81 C +ATOM 7824 CE1 PHE A 518 160.456 179.601 188.737 1.00 50.55 C +ATOM 7825 CE2 PHE A 518 162.552 180.403 189.550 1.00 59.95 C +ATOM 7826 CZ PHE A 518 161.357 179.752 189.771 1.00 51.68 C +ATOM 7827 H PHE A 518 163.689 179.309 184.836 1.00 70.16 H +ATOM 7828 HA PHE A 518 161.070 180.052 184.799 1.00 68.01 H +ATOM 7829 HB2 PHE A 518 163.216 181.532 185.886 1.00 65.30 H +ATOM 7830 HB3 PHE A 518 161.739 182.097 185.758 1.00 65.30 H +ATOM 7831 HD1 PHE A 518 160.143 179.994 186.793 1.00 60.71 H +ATOM 7832 HD2 PHE A 518 163.651 181.341 188.154 1.00 64.57 H +ATOM 7833 HE1 PHE A 518 159.650 179.160 188.883 1.00 60.67 H +ATOM 7834 HE2 PHE A 518 163.160 180.508 190.246 1.00 71.94 H +ATOM 7835 HZ PHE A 518 161.158 179.416 190.615 1.00 62.01 H +ATOM 7836 N GLY A 519 161.205 181.859 183.068 1.00 49.35 N +ATOM 7837 CA GLY A 519 161.321 182.788 181.963 1.00 53.49 C +ATOM 7838 C GLY A 519 161.857 184.115 182.462 1.00 54.51 C +ATOM 7839 O GLY A 519 162.063 184.294 183.662 1.00 59.46 O +ATOM 7840 H GLY A 519 160.439 181.880 183.459 1.00 59.22 H +ATOM 7841 HA2 GLY A 519 161.927 182.434 181.294 1.00 64.19 H +ATOM 7842 HA3 GLY A 519 160.451 182.931 181.558 1.00 64.19 H +ATOM 7843 N GLU A 520 162.079 185.042 181.539 1.00 54.87 N +ATOM 7844 CA GLU A 520 162.662 186.340 181.854 1.00 59.94 C +ATOM 7845 C GLU A 520 161.878 187.106 182.921 1.00 61.67 C +ATOM 7846 O GLU A 520 162.460 187.625 183.871 1.00 54.15 O +ATOM 7847 CB GLU A 520 162.755 187.183 180.579 1.00 64.73 C +ATOM 7848 CG GLU A 520 163.258 188.610 180.783 1.00 69.04 C +ATOM 7849 CD GLU A 520 163.209 189.433 179.512 1.00 69.89 C +ATOM 7850 OE1 GLU A 520 162.293 189.208 178.692 1.00 63.24 O +ATOM 7851 OE2 GLU A 520 164.085 190.306 179.332 1.00 63.41 O +ATOM 7852 H GLU A 520 161.896 184.941 180.705 1.00 65.84 H +ATOM 7853 HA GLU A 520 163.563 186.205 182.187 1.00 71.93 H +ATOM 7854 HB2 GLU A 520 163.362 186.744 179.962 1.00 77.68 H +ATOM 7855 HB3 GLU A 520 161.872 187.239 180.181 1.00 77.68 H +ATOM 7856 HG2 GLU A 520 162.703 189.049 181.447 1.00 82.85 H +ATOM 7857 HG3 GLU A 520 164.179 188.580 181.087 1.00 82.85 H +ATOM 7858 N THR A 521 160.561 187.169 182.761 1.00 52.43 N +ATOM 7859 CA THR A 521 159.735 188.036 183.595 1.00 51.49 C +ATOM 7860 C THR A 521 159.687 187.580 185.051 1.00 49.84 C +ATOM 7861 O THR A 521 159.675 188.411 185.958 1.00 44.69 O +ATOM 7862 CB THR A 521 158.297 188.118 183.058 1.00 48.98 C +ATOM 7863 OG1 THR A 521 158.324 188.416 181.657 1.00 50.78 O +ATOM 7864 CG2 THR A 521 157.517 189.202 183.788 1.00 38.86 C +ATOM 7865 H THR A 521 160.120 186.718 182.177 1.00 62.92 H +ATOM 7866 HA THR A 521 160.109 188.931 183.578 1.00 61.78 H +ATOM 7867 HB THR A 521 157.850 187.269 183.200 1.00 58.78 H +ATOM 7868 HG1 THR A 521 158.738 187.814 181.243 1.00 60.94 H +ATOM 7869 HG21 THR A 521 156.611 189.247 183.443 1.00 46.63 H +ATOM 7870 HG22 THR A 521 157.484 189.004 184.737 1.00 46.63 H +ATOM 7871 HG23 THR A 521 157.946 190.062 183.660 1.00 46.63 H +ATOM 7872 N MET A 522 159.647 186.270 185.272 1.00 45.86 N +ATOM 7873 CA MET A 522 159.633 185.727 186.626 1.00 41.96 C +ATOM 7874 C MET A 522 160.846 186.219 187.408 1.00 46.27 C +ATOM 7875 O MET A 522 160.723 186.657 188.549 1.00 45.77 O +ATOM 7876 CB MET A 522 159.614 184.198 186.596 1.00 57.47 C +ATOM 7877 CG MET A 522 159.572 183.540 187.974 1.00 43.80 C +ATOM 7878 SD MET A 522 157.954 183.648 188.755 1.00 38.25 S +ATOM 7879 CE MET A 522 157.078 182.354 187.881 1.00 43.20 C +ATOM 7880 H MET A 522 159.627 185.673 184.654 1.00 55.03 H +ATOM 7881 HA MET A 522 158.828 186.027 187.075 1.00 50.35 H +ATOM 7882 HB2 MET A 522 158.829 183.907 186.107 1.00 68.97 H +ATOM 7883 HB3 MET A 522 160.414 183.886 186.145 1.00 68.97 H +ATOM 7884 HG2 MET A 522 159.798 182.601 187.882 1.00 52.56 H +ATOM 7885 HG3 MET A 522 160.214 183.980 188.553 1.00 52.56 H +ATOM 7886 HE1 MET A 522 156.169 182.307 188.217 1.00 51.83 H +ATOM 7887 HE2 MET A 522 157.071 182.562 186.934 1.00 51.83 H +ATOM 7888 HE3 MET A 522 157.530 181.510 188.032 1.00 51.83 H +ATOM 7889 N VAL A 523 162.013 186.148 186.781 1.00 47.03 N +ATOM 7890 CA VAL A 523 163.257 186.553 187.422 1.00 45.84 C +ATOM 7891 C VAL A 523 163.319 188.058 187.664 1.00 42.03 C +ATOM 7892 O VAL A 523 163.590 188.500 188.778 1.00 45.59 O +ATOM 7893 CB VAL A 523 164.475 186.126 186.575 1.00 52.63 C +ATOM 7894 CG1 VAL A 523 165.768 186.780 187.086 1.00 61.37 C +ATOM 7895 CG2 VAL A 523 164.607 184.614 186.578 1.00 56.21 C +ATOM 7896 H VAL A 523 162.113 185.865 185.975 1.00 56.44 H +ATOM 7897 HA VAL A 523 163.324 186.110 188.283 1.00 55.01 H +ATOM 7898 HB VAL A 523 164.337 186.413 185.659 1.00 63.16 H +ATOM 7899 HG11 VAL A 523 166.508 186.489 186.531 1.00 73.65 H +ATOM 7900 HG12 VAL A 523 165.674 187.744 187.035 1.00 73.65 H +ATOM 7901 HG13 VAL A 523 165.916 186.509 188.005 1.00 73.65 H +ATOM 7902 HG21 VAL A 523 165.376 184.363 186.042 1.00 67.45 H +ATOM 7903 HG22 VAL A 523 164.727 184.309 187.491 1.00 67.45 H +ATOM 7904 HG23 VAL A 523 163.802 184.226 186.202 1.00 67.45 H +ATOM 7905 N GLU A 524 163.076 188.843 186.621 1.00 47.66 N +ATOM 7906 CA GLU A 524 163.295 190.284 186.693 1.00 54.69 C +ATOM 7907 C GLU A 524 162.274 190.983 187.587 1.00 41.60 C +ATOM 7908 O GLU A 524 162.542 192.065 188.106 1.00 38.84 O +ATOM 7909 CB GLU A 524 163.272 190.897 185.291 1.00 53.75 C +ATOM 7910 CG GLU A 524 164.323 190.323 184.346 1.00 72.75 C +ATOM 7911 CD GLU A 524 165.738 190.470 184.874 1.00 73.14 C +ATOM 7912 OE1 GLU A 524 166.072 191.552 185.399 1.00 62.35 O +ATOM 7913 OE2 GLU A 524 166.516 189.498 184.764 1.00 62.65 O +ATOM 7914 H GLU A 524 162.784 188.567 185.860 1.00 57.19 H +ATOM 7915 HA GLU A 524 164.175 190.445 187.070 1.00 65.63 H +ATOM 7916 HB2 GLU A 524 162.400 190.738 184.896 1.00 64.50 H +ATOM 7917 HB3 GLU A 524 163.430 191.851 185.365 1.00 64.50 H +ATOM 7918 HG2 GLU A 524 164.148 189.378 184.217 1.00 87.30 H +ATOM 7919 HG3 GLU A 524 164.270 190.788 183.497 1.00 87.30 H +ATOM 7920 N VAL A 525 161.110 190.366 187.769 1.00 46.69 N +ATOM 7921 CA VAL A 525 160.094 190.896 188.674 1.00 42.14 C +ATOM 7922 C VAL A 525 160.310 190.365 190.089 1.00 41.11 C +ATOM 7923 O VAL A 525 160.110 191.083 191.069 1.00 34.01 O +ATOM 7924 CB VAL A 525 158.667 190.538 188.207 1.00 39.20 C +ATOM 7925 CG1 VAL A 525 157.625 190.996 189.225 1.00 34.16 C +ATOM 7926 CG2 VAL A 525 158.383 191.163 186.849 1.00 45.39 C +ATOM 7927 H VAL A 525 160.883 189.635 187.378 1.00 56.03 H +ATOM 7928 HA VAL A 525 160.167 191.863 188.702 1.00 50.56 H +ATOM 7929 HB VAL A 525 158.596 189.575 188.116 1.00 47.04 H +ATOM 7930 HG11 VAL A 525 156.743 190.756 188.902 1.00 40.99 H +ATOM 7931 HG12 VAL A 525 157.799 190.557 190.073 1.00 40.99 H +ATOM 7932 HG13 VAL A 525 157.690 191.958 189.331 1.00 40.99 H +ATOM 7933 HG21 VAL A 525 157.483 190.925 186.575 1.00 54.47 H +ATOM 7934 HG22 VAL A 525 158.463 192.127 186.922 1.00 54.47 H +ATOM 7935 HG23 VAL A 525 159.025 190.825 186.206 1.00 54.47 H +ATOM 7936 N GLY A 526 160.726 189.107 190.185 1.00 36.81 N +ATOM 7937 CA GLY A 526 160.866 188.445 191.470 1.00 31.78 C +ATOM 7938 C GLY A 526 162.087 188.862 192.271 1.00 36.61 C +ATOM 7939 O GLY A 526 161.993 189.062 193.480 1.00 29.23 O +ATOM 7940 H GLY A 526 160.935 188.613 189.513 1.00 44.17 H +ATOM 7941 HA2 GLY A 526 160.079 188.629 192.007 1.00 38.13 H +ATOM 7942 HA3 GLY A 526 160.915 187.486 191.328 1.00 38.13 H +ATOM 7943 N ALA A 527 163.229 188.997 191.602 1.00 38.03 N +ATOM 7944 CA ALA A 527 164.501 189.236 192.284 1.00 37.73 C +ATOM 7945 C ALA A 527 164.505 190.481 193.181 1.00 34.20 C +ATOM 7946 O ALA A 527 165.047 190.438 194.283 1.00 30.96 O +ATOM 7947 CB ALA A 527 165.631 189.327 191.261 1.00 38.39 C +ATOM 7948 H ALA A 527 163.295 188.955 190.746 1.00 45.63 H +ATOM 7949 HA ALA A 527 164.688 188.473 192.853 1.00 45.28 H +ATOM 7950 HB1 ALA A 527 166.467 189.485 191.727 1.00 46.07 H +ATOM 7951 HB2 ALA A 527 165.679 188.492 190.769 1.00 46.07 H +ATOM 7952 HB3 ALA A 527 165.447 190.059 190.652 1.00 46.07 H +ATOM 7953 N PRO A 528 163.908 191.592 192.717 1.00 34.60 N +ATOM 7954 CA PRO A 528 163.844 192.797 193.554 1.00 37.05 C +ATOM 7955 C PRO A 528 163.071 192.610 194.863 1.00 33.72 C +ATOM 7956 O PRO A 528 163.559 193.004 195.921 1.00 35.88 O +ATOM 7957 CB PRO A 528 163.126 193.804 192.651 1.00 34.68 C +ATOM 7958 CG PRO A 528 163.399 193.340 191.282 1.00 33.84 C +ATOM 7959 CD PRO A 528 163.392 191.854 191.362 1.00 36.50 C +ATOM 7960 HA PRO A 528 164.737 193.120 193.750 1.00 44.46 H +ATOM 7961 HB2 PRO A 528 162.174 193.790 192.836 1.00 41.62 H +ATOM 7962 HB3 PRO A 528 163.493 194.691 192.793 1.00 41.62 H +ATOM 7963 HG2 PRO A 528 162.701 193.654 190.686 1.00 40.61 H +ATOM 7964 HG3 PRO A 528 164.267 193.663 190.994 1.00 40.61 H +ATOM 7965 HD2 PRO A 528 162.488 191.514 191.272 1.00 43.80 H +ATOM 7966 HD3 PRO A 528 163.985 191.476 190.694 1.00 43.80 H +ATOM 7967 N PHE A 529 161.874 192.040 194.782 1.00 24.72 N +ATOM 7968 CA PHE A 529 161.087 191.741 195.974 1.00 28.83 C +ATOM 7969 C PHE A 529 161.892 190.886 196.947 1.00 31.04 C +ATOM 7970 O PHE A 529 161.895 191.129 198.153 1.00 26.26 O +ATOM 7971 CB PHE A 529 159.794 191.013 195.600 1.00 28.12 C +ATOM 7972 CG PHE A 529 158.823 191.844 194.808 1.00 23.41 C +ATOM 7973 CD1 PHE A 529 158.480 193.120 195.217 1.00 24.91 C +ATOM 7974 CD2 PHE A 529 158.247 191.341 193.656 1.00 26.31 C +ATOM 7975 CE1 PHE A 529 157.584 193.876 194.492 1.00 27.68 C +ATOM 7976 CE2 PHE A 529 157.350 192.095 192.926 1.00 29.57 C +ATOM 7977 CZ PHE A 529 157.018 193.363 193.345 1.00 26.98 C +ATOM 7978 H PHE A 529 161.492 191.815 194.044 1.00 29.67 H +ATOM 7979 HA PHE A 529 160.853 192.570 196.419 1.00 34.60 H +ATOM 7980 HB2 PHE A 529 160.018 190.234 195.068 1.00 33.74 H +ATOM 7981 HB3 PHE A 529 159.347 190.735 196.415 1.00 33.74 H +ATOM 7982 HD1 PHE A 529 158.857 193.472 195.991 1.00 29.89 H +ATOM 7983 HD2 PHE A 529 158.467 190.484 193.369 1.00 31.57 H +ATOM 7984 HE1 PHE A 529 157.362 194.733 194.776 1.00 33.21 H +ATOM 7985 HE2 PHE A 529 156.970 191.746 192.152 1.00 35.48 H +ATOM 7986 HZ PHE A 529 156.415 193.873 192.854 1.00 32.38 H +ATOM 7987 N SER A 530 162.579 189.886 196.406 1.00 24.45 N +ATOM 7988 CA SER A 530 163.335 188.940 197.214 1.00 31.77 C +ATOM 7989 C SER A 530 164.488 189.614 197.948 1.00 24.33 C +ATOM 7990 O SER A 530 164.605 189.509 199.164 1.00 27.70 O +ATOM 7991 CB SER A 530 163.871 187.809 196.334 1.00 30.92 C +ATOM 7992 OG SER A 530 164.668 186.912 197.088 1.00 31.98 O +ATOM 7993 H SER A 530 162.622 189.733 195.561 1.00 29.33 H +ATOM 7994 HA SER A 530 162.745 188.549 197.877 1.00 38.12 H +ATOM 7995 HB2 SER A 530 163.122 187.323 195.954 1.00 37.10 H +ATOM 7996 HB3 SER A 530 164.412 188.191 195.625 1.00 37.10 H +ATOM 7997 HG SER A 530 164.955 186.298 196.592 1.00 38.37 H +ATOM 7998 N LEU A 531 165.339 190.304 197.200 1.00 33.20 N +ATOM 7999 CA LEU A 531 166.519 190.938 197.771 1.00 33.29 C +ATOM 8000 C LEU A 531 166.141 192.008 198.781 1.00 31.46 C +ATOM 8001 O LEU A 531 166.828 192.204 199.783 1.00 27.21 O +ATOM 8002 CB LEU A 531 167.375 191.544 196.667 1.00 31.19 C +ATOM 8003 CG LEU A 531 168.035 190.520 195.749 1.00 34.40 C +ATOM 8004 CD1 LEU A 531 168.548 191.195 194.489 1.00 56.22 C +ATOM 8005 CD2 LEU A 531 169.162 189.815 196.480 1.00 30.73 C +ATOM 8006 H LEU A 531 165.254 190.421 196.353 1.00 39.84 H +ATOM 8007 HA LEU A 531 167.049 190.266 198.228 1.00 39.95 H +ATOM 8008 HB2 LEU A 531 166.815 192.115 196.117 1.00 37.43 H +ATOM 8009 HB3 LEU A 531 168.080 192.072 197.074 1.00 37.43 H +ATOM 8010 HG LEU A 531 167.379 189.855 195.490 1.00 41.28 H +ATOM 8011 HD11 LEU A 531 168.963 190.528 193.920 1.00 67.46 H +ATOM 8012 HD12 LEU A 531 167.802 191.607 194.026 1.00 67.46 H +ATOM 8013 HD13 LEU A 531 169.198 191.871 194.735 1.00 67.46 H +ATOM 8014 HD21 LEU A 531 169.569 189.168 195.882 1.00 36.87 H +ATOM 8015 HD22 LEU A 531 169.820 190.472 196.755 1.00 36.87 H +ATOM 8016 HD23 LEU A 531 168.798 189.363 197.258 1.00 36.87 H +ATOM 8017 N LYS A 532 165.044 192.697 198.503 1.00 27.65 N +ATOM 8018 CA LYS A 532 164.569 193.761 199.370 1.00 25.70 C +ATOM 8019 C LYS A 532 164.067 193.187 200.695 1.00 31.72 C +ATOM 8020 O LYS A 532 164.187 193.819 201.744 1.00 34.66 O +ATOM 8021 CB LYS A 532 163.469 194.549 198.661 1.00 30.61 C +ATOM 8022 CG LYS A 532 162.951 195.738 199.425 1.00 45.05 C +ATOM 8023 CD LYS A 532 164.026 196.780 199.660 1.00 34.46 C +ATOM 8024 CE LYS A 532 163.453 197.947 200.427 1.00 31.88 C +ATOM 8025 NZ LYS A 532 164.480 198.658 201.207 1.00 39.49 N +ATOM 8026 H LYS A 532 164.553 192.565 197.810 1.00 33.17 H +ATOM 8027 HA LYS A 532 165.301 194.368 199.561 1.00 30.84 H +ATOM 8028 HB2 LYS A 532 163.817 194.873 197.815 1.00 36.73 H +ATOM 8029 HB3 LYS A 532 162.719 193.955 198.498 1.00 36.73 H +ATOM 8030 HG2 LYS A 532 162.233 196.152 198.920 1.00 54.06 H +ATOM 8031 HG3 LYS A 532 162.623 195.442 200.289 1.00 54.06 H +ATOM 8032 HD2 LYS A 532 164.747 196.392 200.180 1.00 41.36 H +ATOM 8033 HD3 LYS A 532 164.357 197.104 198.807 1.00 41.36 H +ATOM 8034 HE2 LYS A 532 163.060 198.577 199.803 1.00 38.25 H +ATOM 8035 HE3 LYS A 532 162.778 197.622 201.043 1.00 38.25 H +ATOM 8036 HZ1 LYS A 532 164.111 199.338 201.647 1.00 47.38 H +ATOM 8037 HZ2 LYS A 532 164.854 198.103 201.794 1.00 47.38 H +ATOM 8038 HZ3 LYS A 532 165.111 198.973 200.664 1.00 47.38 H +ATOM 8039 N GLY A 533 163.512 191.981 200.641 1.00 30.31 N +ATOM 8040 CA GLY A 533 163.054 191.302 201.838 1.00 25.77 C +ATOM 8041 C GLY A 533 164.218 190.746 202.637 1.00 33.28 C +ATOM 8042 O GLY A 533 164.170 190.687 203.865 1.00 33.19 O +ATOM 8043 H GLY A 533 163.390 191.535 199.916 1.00 36.37 H +ATOM 8044 HA2 GLY A 533 162.561 191.923 202.397 1.00 30.92 H +ATOM 8045 HA3 GLY A 533 162.467 190.570 201.593 1.00 30.92 H +ATOM 8046 N LEU A 534 165.271 190.347 201.934 1.00 29.03 N +ATOM 8047 CA LEU A 534 166.434 189.736 202.565 1.00 32.28 C +ATOM 8048 C LEU A 534 167.371 190.772 203.192 1.00 25.76 C +ATOM 8049 O LEU A 534 167.691 190.685 204.377 1.00 30.35 O +ATOM 8050 CB LEU A 534 167.195 188.889 201.542 1.00 29.72 C +ATOM 8051 CG LEU A 534 166.442 187.658 201.031 1.00 26.26 C +ATOM 8052 CD1 LEU A 534 167.065 187.136 199.749 1.00 32.55 C +ATOM 8053 CD2 LEU A 534 166.414 186.569 202.090 1.00 28.09 C +ATOM 8054 H LEU A 534 165.337 190.419 201.080 1.00 34.84 H +ATOM 8055 HA LEU A 534 166.131 189.145 203.272 1.00 38.74 H +ATOM 8056 HB2 LEU A 534 167.402 189.445 200.774 1.00 35.66 H +ATOM 8057 HB3 LEU A 534 168.019 188.579 201.950 1.00 35.66 H +ATOM 8058 HG LEU A 534 165.525 187.908 200.836 1.00 31.51 H +ATOM 8059 HD11 LEU A 534 166.568 186.358 199.450 1.00 39.06 H +ATOM 8060 HD12 LEU A 534 167.028 187.831 199.074 1.00 39.06 H +ATOM 8061 HD13 LEU A 534 167.987 186.892 199.923 1.00 39.06 H +ATOM 8062 HD21 LEU A 534 165.932 185.802 201.741 1.00 33.71 H +ATOM 8063 HD22 LEU A 534 167.325 186.316 202.307 1.00 33.71 H +ATOM 8064 HD23 LEU A 534 165.968 186.909 202.881 1.00 33.71 H +ATOM 8065 N MET A 535 167.805 191.750 202.403 1.00 27.88 N +ATOM 8066 CA MET A 535 168.753 192.751 202.884 1.00 29.91 C +ATOM 8067 C MET A 535 168.060 193.877 203.644 1.00 30.68 C +ATOM 8068 O MET A 535 168.704 194.617 204.387 1.00 29.98 O +ATOM 8069 CB MET A 535 169.557 193.331 201.720 1.00 28.22 C +ATOM 8070 CG MET A 535 170.387 192.306 200.951 1.00 33.10 C +ATOM 8071 SD MET A 535 171.418 191.253 201.994 1.00 31.93 S +ATOM 8072 CE MET A 535 172.508 192.456 202.751 1.00 30.75 C +ATOM 8073 H MET A 535 167.566 191.856 201.584 1.00 33.46 H +ATOM 8074 HA MET A 535 169.380 192.316 203.484 1.00 35.89 H +ATOM 8075 HB2 MET A 535 168.942 193.742 201.093 1.00 33.87 H +ATOM 8076 HB3 MET A 535 170.165 194.002 202.068 1.00 33.87 H +ATOM 8077 HG2 MET A 535 169.787 191.730 200.453 1.00 39.72 H +ATOM 8078 HG3 MET A 535 170.973 192.778 200.338 1.00 39.72 H +ATOM 8079 HE1 MET A 535 173.121 191.996 203.346 1.00 36.91 H +ATOM 8080 HE2 MET A 535 173.004 192.915 202.055 1.00 36.91 H +ATOM 8081 HE3 MET A 535 171.975 193.093 203.252 1.00 36.91 H +ATOM 8082 N GLY A 536 166.751 194.005 203.461 1.00 28.21 N +ATOM 8083 CA GLY A 536 165.982 195.014 204.166 1.00 32.78 C +ATOM 8084 C GLY A 536 165.719 194.641 205.612 1.00 28.91 C +ATOM 8085 O GLY A 536 165.145 195.425 206.365 1.00 38.24 O +ATOM 8086 H GLY A 536 166.285 193.515 202.929 1.00 33.85 H +ATOM 8087 HA2 GLY A 536 166.464 195.856 204.149 1.00 39.34 H +ATOM 8088 HA3 GLY A 536 165.130 195.139 203.721 1.00 39.34 H +ATOM 8089 N ASN A 537 166.132 193.440 205.999 1.00 32.06 N +ATOM 8090 CA ASN A 537 165.970 192.970 207.368 1.00 28.47 C +ATOM 8091 C ASN A 537 166.822 193.774 208.346 1.00 29.17 C +ATOM 8092 O ASN A 537 167.960 194.135 208.042 1.00 25.48 O +ATOM 8093 CB ASN A 537 166.330 191.487 207.452 1.00 31.53 C +ATOM 8094 CG ASN A 537 165.869 190.844 208.743 1.00 30.50 C +ATOM 8095 OD1 ASN A 537 166.513 190.975 209.781 1.00 22.83 O +ATOM 8096 ND2 ASN A 537 164.750 190.137 208.681 1.00 24.96 N +ATOM 8097 H ASN A 537 166.515 192.872 205.480 1.00 38.47 H +ATOM 8098 HA ASN A 537 165.041 193.069 207.628 1.00 34.17 H +ATOM 8099 HB2 ASN A 537 165.909 191.018 206.715 1.00 37.83 H +ATOM 8100 HB3 ASN A 537 167.294 191.393 207.398 1.00 37.83 H +ATOM 8101 HD21 ASN A 537 164.445 189.751 209.386 1.00 29.96 H +ATOM 8102 HD22 ASN A 537 164.328 190.063 207.935 1.00 29.96 H +ATOM 8103 N VAL A 538 166.266 194.043 209.524 1.00 23.28 N +ATOM 8104 CA VAL A 538 166.926 194.866 210.534 1.00 23.83 C +ATOM 8105 C VAL A 538 168.325 194.366 210.920 1.00 21.15 C +ATOM 8106 O VAL A 538 169.196 195.173 211.238 1.00 18.82 O +ATOM 8107 CB VAL A 538 166.054 194.969 211.827 1.00 26.78 C +ATOM 8108 CG1 VAL A 538 165.661 193.596 212.331 1.00 29.58 C +ATOM 8109 CG2 VAL A 538 166.771 195.752 212.920 1.00 22.37 C +ATOM 8110 H VAL A 538 165.492 193.755 209.766 1.00 27.93 H +ATOM 8111 HA VAL A 538 167.027 195.763 210.179 1.00 28.60 H +ATOM 8112 HB VAL A 538 165.238 195.447 211.611 1.00 32.14 H +ATOM 8113 HG11 VAL A 538 165.122 193.696 213.131 1.00 35.50 H +ATOM 8114 HG12 VAL A 538 165.150 193.142 211.642 1.00 35.50 H +ATOM 8115 HG13 VAL A 538 166.465 193.092 212.534 1.00 35.50 H +ATOM 8116 HG21 VAL A 538 166.201 195.795 213.703 1.00 26.84 H +ATOM 8117 HG22 VAL A 538 167.601 195.300 213.139 1.00 26.84 H +ATOM 8118 HG23 VAL A 538 166.957 196.648 212.596 1.00 26.84 H +ATOM 8119 N ILE A 539 168.548 193.055 210.894 1.00 22.28 N +ATOM 8120 CA ILE A 539 169.844 192.524 211.316 1.00 30.70 C +ATOM 8121 C ILE A 539 170.954 192.881 210.323 1.00 31.38 C +ATOM 8122 O ILE A 539 172.138 192.753 210.634 1.00 23.39 O +ATOM 8123 CB ILE A 539 169.827 190.986 211.509 1.00 24.80 C +ATOM 8124 CG1 ILE A 539 169.736 190.234 210.172 1.00 28.37 C +ATOM 8125 CG2 ILE A 539 168.689 190.576 212.437 1.00 25.69 C +ATOM 8126 CD1 ILE A 539 170.258 188.826 210.253 1.00 35.14 C +ATOM 8127 H ILE A 539 167.980 192.461 210.642 1.00 26.74 H +ATOM 8128 HA ILE A 539 170.077 192.923 212.169 1.00 36.85 H +ATOM 8129 HB ILE A 539 170.661 190.732 211.935 1.00 29.76 H +ATOM 8130 HG12 ILE A 539 168.807 190.193 209.896 1.00 34.04 H +ATOM 8131 HG13 ILE A 539 170.258 190.709 209.507 1.00 34.04 H +ATOM 8132 HG21 ILE A 539 168.700 189.612 212.542 1.00 30.83 H +ATOM 8133 HG22 ILE A 539 168.815 191.005 213.298 1.00 30.83 H +ATOM 8134 HG23 ILE A 539 167.847 190.858 212.047 1.00 30.83 H +ATOM 8135 HD11 ILE A 539 170.174 188.408 209.382 1.00 42.17 H +ATOM 8136 HD12 ILE A 539 171.190 188.851 210.520 1.00 42.17 H +ATOM 8137 HD13 ILE A 539 169.739 188.334 210.909 1.00 42.17 H +ATOM 8138 N CYS A 540 170.566 193.319 209.129 1.00 24.82 N +ATOM 8139 CA CYS A 540 171.525 193.725 208.109 1.00 25.56 C +ATOM 8140 C CYS A 540 171.925 195.190 208.266 1.00 27.27 C +ATOM 8141 O CYS A 540 172.855 195.655 207.607 1.00 32.01 O +ATOM 8142 CB CYS A 540 170.951 193.493 206.709 1.00 31.94 C +ATOM 8143 SG CYS A 540 170.522 191.778 206.346 1.00 26.87 S +ATOM 8144 H CYS A 540 169.744 193.390 208.884 1.00 29.78 H +ATOM 8145 HA CYS A 540 172.326 193.185 208.197 1.00 30.67 H +ATOM 8146 HB2 CYS A 540 170.144 194.024 206.614 1.00 38.33 H +ATOM 8147 HB3 CYS A 540 171.607 193.777 206.054 1.00 38.33 H +ATOM 8148 HG CYS A 540 171.508 191.101 206.439 1.00 32.24 H +ATOM 8149 N SER A 541 171.223 195.917 209.131 1.00 26.23 N +ATOM 8150 CA SER A 541 171.537 197.323 209.371 1.00 28.28 C +ATOM 8151 C SER A 541 172.813 197.433 210.212 1.00 24.13 C +ATOM 8152 O SER A 541 173.101 196.550 211.015 1.00 23.87 O +ATOM 8153 CB SER A 541 170.368 198.030 210.066 1.00 29.45 C +ATOM 8154 OG SER A 541 170.212 197.591 211.405 1.00 20.54 O +ATOM 8155 H SER A 541 170.560 195.620 209.591 1.00 31.47 H +ATOM 8156 HA SER A 541 171.696 197.764 208.522 1.00 33.93 H +ATOM 8157 HB2 SER A 541 170.536 198.986 210.067 1.00 35.33 H +ATOM 8158 HB3 SER A 541 169.552 197.840 209.577 1.00 35.33 H +ATOM 8159 HG SER A 541 170.064 196.765 211.421 1.00 24.65 H +ATOM 8160 N PRO A 542 173.584 198.518 210.027 1.00 21.08 N +ATOM 8161 CA PRO A 542 174.887 198.643 210.695 1.00 26.27 C +ATOM 8162 C PRO A 542 174.829 198.586 212.226 1.00 30.32 C +ATOM 8163 O PRO A 542 175.780 198.100 212.838 1.00 32.00 O +ATOM 8164 CB PRO A 542 175.397 200.013 210.224 1.00 23.51 C +ATOM 8165 CG PRO A 542 174.230 200.704 209.614 1.00 22.21 C +ATOM 8166 CD PRO A 542 173.326 199.641 209.111 1.00 23.44 C +ATOM 8167 HA PRO A 542 175.491 197.954 210.376 1.00 31.52 H +ATOM 8168 HB2 PRO A 542 175.729 200.514 210.986 1.00 28.21 H +ATOM 8169 HB3 PRO A 542 176.100 199.888 209.567 1.00 28.21 H +ATOM 8170 HG2 PRO A 542 173.782 201.238 210.289 1.00 26.65 H +ATOM 8171 HG3 PRO A 542 174.533 201.265 208.883 1.00 26.65 H +ATOM 8172 HD2 PRO A 542 172.400 199.925 209.175 1.00 28.12 H +ATOM 8173 HD3 PRO A 542 173.562 199.398 208.202 1.00 28.12 H +ATOM 8174 N ALA A 543 173.747 199.061 212.835 1.00 28.63 N +ATOM 8175 CA ALA A 543 173.617 199.002 214.290 1.00 29.08 C +ATOM 8176 C ALA A 543 173.533 197.559 214.793 1.00 31.70 C +ATOM 8177 O ALA A 543 173.963 197.257 215.906 1.00 19.99 O +ATOM 8178 CB ALA A 543 172.396 199.781 214.741 1.00 27.01 C +ATOM 8179 H ALA A 543 173.077 199.419 212.432 1.00 34.36 H +ATOM 8180 HA ALA A 543 174.398 199.413 214.692 1.00 34.89 H +ATOM 8181 HB1 ALA A 543 172.329 199.729 215.707 1.00 32.42 H +ATOM 8182 HB2 ALA A 543 172.492 200.706 214.465 1.00 32.42 H +ATOM 8183 HB3 ALA A 543 171.606 199.393 214.333 1.00 32.42 H +ATOM 8184 N TYR A 544 172.982 196.675 213.966 1.00 25.76 N +ATOM 8185 CA TYR A 544 172.762 195.284 214.354 1.00 26.29 C +ATOM 8186 C TYR A 544 173.880 194.337 213.921 1.00 31.82 C +ATOM 8187 O TYR A 544 174.222 193.406 214.646 1.00 28.39 O +ATOM 8188 CB TYR A 544 171.442 194.785 213.772 1.00 23.01 C +ATOM 8189 CG TYR A 544 170.225 195.146 214.588 1.00 23.00 C +ATOM 8190 CD1 TYR A 544 169.736 196.446 214.607 1.00 25.05 C +ATOM 8191 CD2 TYR A 544 169.556 194.184 215.332 1.00 20.65 C +ATOM 8192 CE1 TYR A 544 168.620 196.774 215.348 1.00 29.85 C +ATOM 8193 CE2 TYR A 544 168.444 194.503 216.073 1.00 23.08 C +ATOM 8194 CZ TYR A 544 167.978 195.797 216.078 1.00 19.93 C +ATOM 8195 OH TYR A 544 166.868 196.111 216.816 1.00 25.69 O +ATOM 8196 H TYR A 544 172.724 196.858 213.166 1.00 30.91 H +ATOM 8197 HA TYR A 544 172.695 195.238 215.320 1.00 31.55 H +ATOM 8198 HB2 TYR A 544 171.328 195.167 212.888 1.00 27.62 H +ATOM 8199 HB3 TYR A 544 171.477 193.817 213.707 1.00 27.62 H +ATOM 8200 HD1 TYR A 544 170.168 197.105 214.113 1.00 30.06 H +ATOM 8201 HD2 TYR A 544 169.867 193.307 215.330 1.00 24.78 H +ATOM 8202 HE1 TYR A 544 168.302 197.648 215.354 1.00 35.83 H +ATOM 8203 HE2 TYR A 544 168.007 193.847 216.567 1.00 27.69 H +ATOM 8204 HH TYR A 544 166.691 196.928 216.734 1.00 30.83 H +ATOM 8205 N TRP A 545 174.439 194.560 212.736 1.00 28.50 N +ATOM 8206 CA TRP A 545 175.385 193.611 212.161 1.00 35.08 C +ATOM 8207 C TRP A 545 176.721 193.678 212.902 1.00 35.30 C +ATOM 8208 O TRP A 545 177.714 194.195 212.393 1.00 29.00 O +ATOM 8209 CB TRP A 545 175.563 193.873 210.667 1.00 33.25 C +ATOM 8210 CG TRP A 545 176.274 192.773 209.934 1.00 40.57 C +ATOM 8211 CD1 TRP A 545 177.479 192.858 209.300 1.00 39.26 C +ATOM 8212 CD2 TRP A 545 175.825 191.422 209.760 1.00 37.47 C +ATOM 8213 NE1 TRP A 545 177.806 191.649 208.739 1.00 37.68 N +ATOM 8214 CE2 TRP A 545 176.809 190.750 209.008 1.00 37.59 C +ATOM 8215 CE3 TRP A 545 174.689 190.716 210.165 1.00 35.13 C +ATOM 8216 CZ2 TRP A 545 176.693 189.411 208.653 1.00 36.48 C +ATOM 8217 CZ3 TRP A 545 174.575 189.385 209.812 1.00 34.27 C +ATOM 8218 CH2 TRP A 545 175.572 188.746 209.063 1.00 33.73 C +ATOM 8219 H TRP A 545 174.288 195.251 212.246 1.00 34.20 H +ATOM 8220 HA TRP A 545 175.032 192.713 212.266 1.00 42.10 H +ATOM 8221 HB2 TRP A 545 174.688 193.981 210.263 1.00 39.90 H +ATOM 8222 HB3 TRP A 545 176.080 194.686 210.553 1.00 39.90 H +ATOM 8223 HD1 TRP A 545 178.001 193.626 209.250 1.00 47.11 H +ATOM 8224 HE1 TRP A 545 178.522 191.482 208.293 1.00 45.21 H +ATOM 8225 HE3 TRP A 545 174.023 191.134 210.662 1.00 42.16 H +ATOM 8226 HZ2 TRP A 545 177.353 188.984 208.157 1.00 43.78 H +ATOM 8227 HZ3 TRP A 545 173.824 188.905 210.076 1.00 41.13 H +ATOM 8228 HH2 TRP A 545 175.468 187.849 208.840 1.00 40.48 H +ATOM 8229 N LYS A 546 176.706 193.132 214.114 1.00 36.64 N +ATOM 8230 CA LYS A 546 177.815 193.169 215.055 1.00 32.34 C +ATOM 8231 C LYS A 546 177.899 191.804 215.724 1.00 36.49 C +ATOM 8232 O LYS A 546 176.867 191.175 215.943 1.00 37.62 O +ATOM 8233 CB LYS A 546 177.599 194.242 216.125 1.00 38.20 C +ATOM 8234 CG LYS A 546 177.813 195.682 215.709 1.00 41.07 C +ATOM 8235 CD LYS A 546 177.249 196.597 216.790 1.00 42.20 C +ATOM 8236 CE LYS A 546 177.925 197.957 216.839 1.00 63.98 C +ATOM 8237 NZ LYS A 546 177.466 198.870 215.768 1.00 58.72 N +ATOM 8238 H LYS A 546 176.023 192.713 214.427 1.00 43.97 H +ATOM 8239 HA LYS A 546 178.646 193.347 214.587 1.00 38.81 H +ATOM 8240 HB2 LYS A 546 176.686 194.170 216.445 1.00 45.84 H +ATOM 8241 HB3 LYS A 546 178.209 194.064 216.858 1.00 45.84 H +ATOM 8242 HG2 LYS A 546 178.762 195.859 215.613 1.00 49.29 H +ATOM 8243 HG3 LYS A 546 177.345 195.856 214.877 1.00 49.29 H +ATOM 8244 HD2 LYS A 546 176.305 196.740 216.621 1.00 50.64 H +ATOM 8245 HD3 LYS A 546 177.369 196.174 217.655 1.00 50.64 H +ATOM 8246 HE2 LYS A 546 177.730 198.376 217.693 1.00 76.77 H +ATOM 8247 HE3 LYS A 546 178.882 197.837 216.740 1.00 76.77 H +ATOM 8248 HZ1 LYS A 546 177.886 199.652 215.835 1.00 70.46 H +ATOM 8249 HZ2 LYS A 546 177.640 198.515 214.971 1.00 70.46 H +ATOM 8250 HZ3 LYS A 546 176.589 199.006 215.840 1.00 70.46 H +ATOM 8251 N PRO A 547 179.111 191.336 216.066 1.00 35.16 N +ATOM 8252 CA PRO A 547 179.155 190.054 216.781 1.00 36.57 C +ATOM 8253 C PRO A 547 178.420 190.084 218.124 1.00 29.65 C +ATOM 8254 O PRO A 547 177.826 189.077 218.506 1.00 27.50 O +ATOM 8255 CB PRO A 547 180.660 189.804 216.981 1.00 34.78 C +ATOM 8256 CG PRO A 547 181.348 191.078 216.615 1.00 43.31 C +ATOM 8257 CD PRO A 547 180.450 191.796 215.667 1.00 39.83 C +ATOM 8258 HA PRO A 547 178.785 189.348 216.228 1.00 43.88 H +ATOM 8259 HB2 PRO A 547 180.830 189.580 217.909 1.00 41.74 H +ATOM 8260 HB3 PRO A 547 180.948 189.083 216.399 1.00 41.74 H +ATOM 8261 HG2 PRO A 547 181.489 191.609 217.414 1.00 51.97 H +ATOM 8262 HG3 PRO A 547 182.196 190.876 216.189 1.00 51.97 H +ATOM 8263 HD2 PRO A 547 180.528 192.755 215.787 1.00 47.79 H +ATOM 8264 HD3 PRO A 547 180.641 191.533 214.753 1.00 47.79 H +ATOM 8265 N SER A 548 178.447 191.217 218.818 1.00 26.02 N +ATOM 8266 CA SER A 548 177.768 191.344 220.107 1.00 31.60 C +ATOM 8267 C SER A 548 176.265 191.090 220.004 1.00 30.99 C +ATOM 8268 O SER A 548 175.637 190.645 220.965 1.00 33.88 O +ATOM 8269 CB SER A 548 178.009 192.731 220.702 1.00 31.06 C +ATOM 8270 OG SER A 548 177.644 193.747 219.788 1.00 28.58 O +ATOM 8271 H SER A 548 178.852 191.932 218.564 1.00 31.23 H +ATOM 8272 HA SER A 548 178.138 190.690 220.721 1.00 37.92 H +ATOM 8273 HB2 SER A 548 177.476 192.826 221.507 1.00 37.27 H +ATOM 8274 HB3 SER A 548 178.951 192.823 220.915 1.00 37.27 H +ATOM 8275 HG SER A 548 178.099 193.678 219.085 1.00 34.30 H +ATOM 8276 N THR A 549 175.693 191.379 218.841 1.00 25.78 N +ATOM 8277 CA THR A 549 174.267 191.169 218.615 1.00 27.23 C +ATOM 8278 C THR A 549 173.923 189.684 218.670 1.00 27.94 C +ATOM 8279 O THR A 549 172.829 189.304 219.086 1.00 26.17 O +ATOM 8280 CB THR A 549 173.825 191.751 217.254 1.00 28.56 C +ATOM 8281 OG1 THR A 549 173.956 193.177 217.279 1.00 22.69 O +ATOM 8282 CG2 THR A 549 172.376 191.394 216.933 1.00 26.34 C +ATOM 8283 H THR A 549 176.112 191.700 218.162 1.00 30.93 H +ATOM 8284 HA THR A 549 173.766 191.621 219.313 1.00 32.67 H +ATOM 8285 HB THR A 549 174.389 191.390 216.552 1.00 34.27 H +ATOM 8286 HG1 THR A 549 173.717 193.501 216.541 1.00 27.23 H +ATOM 8287 HG21 THR A 549 172.124 191.770 216.075 1.00 31.61 H +ATOM 8288 HG22 THR A 549 172.272 190.430 216.897 1.00 31.61 H +ATOM 8289 HG23 THR A 549 171.788 191.749 217.618 1.00 31.61 H +ATOM 8290 N PHE A 550 174.871 188.850 218.258 1.00 23.44 N +ATOM 8291 CA PHE A 550 174.639 187.416 218.143 1.00 34.37 C +ATOM 8292 C PHE A 550 175.419 186.625 219.193 1.00 29.47 C +ATOM 8293 O PHE A 550 175.700 185.445 219.007 1.00 26.60 O +ATOM 8294 CB PHE A 550 175.002 186.949 216.734 1.00 36.77 C +ATOM 8295 CG PHE A 550 174.390 187.790 215.649 1.00 30.63 C +ATOM 8296 CD1 PHE A 550 173.066 187.613 215.281 1.00 31.31 C +ATOM 8297 CD2 PHE A 550 175.133 188.763 215.006 1.00 22.65 C +ATOM 8298 CE1 PHE A 550 172.500 188.388 214.288 1.00 31.87 C +ATOM 8299 CE2 PHE A 550 174.573 189.539 214.014 1.00 26.72 C +ATOM 8300 CZ PHE A 550 173.257 189.354 213.653 1.00 33.39 C +ATOM 8301 H PHE A 550 175.665 189.093 218.036 1.00 28.13 H +ATOM 8302 HA PHE A 550 173.695 187.240 218.281 1.00 41.25 H +ATOM 8303 HB2 PHE A 550 175.966 186.985 216.630 1.00 44.12 H +ATOM 8304 HB3 PHE A 550 174.692 186.038 216.616 1.00 44.12 H +ATOM 8305 HD1 PHE A 550 172.554 186.964 215.706 1.00 37.57 H +ATOM 8306 HD2 PHE A 550 176.022 188.893 215.245 1.00 27.18 H +ATOM 8307 HE1 PHE A 550 171.611 188.260 214.046 1.00 38.24 H +ATOM 8308 HE2 PHE A 550 175.085 190.189 213.589 1.00 32.06 H +ATOM 8309 HZ PHE A 550 172.879 189.878 212.983 1.00 40.07 H +ATOM 8310 N GLY A 551 175.767 187.285 220.293 1.00 30.50 N +ATOM 8311 CA GLY A 551 176.372 186.616 221.431 1.00 33.93 C +ATOM 8312 C GLY A 551 177.886 186.502 221.380 1.00 35.60 C +ATOM 8313 O GLY A 551 178.488 185.883 222.254 1.00 34.29 O +ATOM 8314 H GLY A 551 175.659 188.131 220.404 1.00 36.60 H +ATOM 8315 HA2 GLY A 551 176.137 187.097 222.240 1.00 40.72 H +ATOM 8316 HA3 GLY A 551 176.008 185.720 221.499 1.00 40.72 H +ATOM 8317 N GLY A 552 178.499 187.101 220.364 1.00 32.86 N +ATOM 8318 CA GLY A 552 179.942 187.050 220.194 1.00 28.15 C +ATOM 8319 C GLY A 552 180.340 186.489 218.843 1.00 31.62 C +ATOM 8320 O GLY A 552 179.499 186.289 217.971 1.00 32.66 O +ATOM 8321 H GLY A 552 178.093 187.549 219.753 1.00 39.43 H +ATOM 8322 HA2 GLY A 552 180.309 187.944 220.277 1.00 33.78 H +ATOM 8323 HA3 GLY A 552 180.330 186.492 220.886 1.00 33.78 H +ATOM 8324 N GLU A 553 181.629 186.222 218.677 1.00 36.81 N +ATOM 8325 CA GLU A 553 182.160 185.771 217.397 1.00 32.68 C +ATOM 8326 C GLU A 553 181.686 184.368 217.023 1.00 30.70 C +ATOM 8327 O GLU A 553 181.524 184.063 215.845 1.00 30.11 O +ATOM 8328 CB GLU A 553 183.688 185.806 217.420 1.00 30.36 C +ATOM 8329 CG GLU A 553 184.269 187.202 217.581 1.00 38.18 C +ATOM 8330 CD GLU A 553 184.069 188.079 216.357 1.00 46.63 C +ATOM 8331 OE1 GLU A 553 183.602 187.571 215.314 1.00 40.13 O +ATOM 8332 OE2 GLU A 553 184.387 189.284 216.439 1.00 45.85 O +ATOM 8333 H GLU A 553 182.223 186.295 219.295 1.00 44.17 H +ATOM 8334 HA GLU A 553 181.860 186.379 216.703 1.00 39.22 H +ATOM 8335 HB2 GLU A 553 184.001 185.267 218.164 1.00 36.43 H +ATOM 8336 HB3 GLU A 553 184.021 185.440 216.586 1.00 36.43 H +ATOM 8337 HG2 GLU A 553 183.840 187.637 218.333 1.00 45.81 H +ATOM 8338 HG3 GLU A 553 185.223 187.128 217.742 1.00 45.81 H +ATOM 8339 N VAL A 554 181.472 183.517 218.021 1.00 29.35 N +ATOM 8340 CA VAL A 554 181.026 182.154 217.766 1.00 29.49 C +ATOM 8341 C VAL A 554 179.629 182.171 217.167 1.00 30.96 C +ATOM 8342 O VAL A 554 179.386 181.554 216.132 1.00 30.89 O +ATOM 8343 CB VAL A 554 181.041 181.299 219.052 1.00 36.05 C +ATOM 8344 CG1 VAL A 554 180.417 179.921 218.808 1.00 32.69 C +ATOM 8345 CG2 VAL A 554 182.463 181.145 219.560 1.00 33.98 C +ATOM 8346 H VAL A 554 181.578 183.705 218.853 1.00 35.21 H +ATOM 8347 HA VAL A 554 181.624 181.740 217.123 1.00 35.38 H +ATOM 8348 HB VAL A 554 180.522 181.748 219.738 1.00 43.26 H +ATOM 8349 HG11 VAL A 554 180.443 179.413 219.633 1.00 39.23 H +ATOM 8350 HG12 VAL A 554 179.499 180.038 218.518 1.00 39.23 H +ATOM 8351 HG13 VAL A 554 180.926 179.463 218.121 1.00 39.23 H +ATOM 8352 HG21 VAL A 554 182.453 180.607 220.367 1.00 40.78 H +ATOM 8353 HG22 VAL A 554 182.996 180.709 218.877 1.00 40.78 H +ATOM 8354 HG23 VAL A 554 182.826 182.024 219.752 1.00 40.78 H +ATOM 8355 N GLY A 555 178.714 182.879 217.820 1.00 33.69 N +ATOM 8356 CA GLY A 555 177.364 183.022 217.314 1.00 30.50 C +ATOM 8357 C GLY A 555 177.362 183.676 215.949 1.00 28.99 C +ATOM 8358 O GLY A 555 176.619 183.276 215.053 1.00 22.08 O +ATOM 8359 H GLY A 555 178.856 183.288 218.563 1.00 40.42 H +ATOM 8360 HA2 GLY A 555 176.947 182.149 217.241 1.00 36.60 H +ATOM 8361 HA3 GLY A 555 176.841 183.567 217.922 1.00 36.60 H +ATOM 8362 N PHE A 556 178.206 184.690 215.796 1.00 31.29 N +ATOM 8363 CA PHE A 556 178.315 185.427 214.544 1.00 29.04 C +ATOM 8364 C PHE A 556 178.782 184.501 213.424 1.00 34.58 C +ATOM 8365 O PHE A 556 178.341 184.620 212.279 1.00 29.89 O +ATOM 8366 CB PHE A 556 179.288 186.603 214.717 1.00 31.45 C +ATOM 8367 CG PHE A 556 179.126 187.710 213.704 1.00 32.16 C +ATOM 8368 CD1 PHE A 556 177.884 188.051 213.203 1.00 31.08 C +ATOM 8369 CD2 PHE A 556 180.234 188.419 213.266 1.00 37.69 C +ATOM 8370 CE1 PHE A 556 177.748 189.069 212.282 1.00 33.41 C +ATOM 8371 CE2 PHE A 556 180.104 189.439 212.346 1.00 39.41 C +ATOM 8372 CZ PHE A 556 178.857 189.767 211.854 1.00 40.96 C +ATOM 8373 H PHE A 556 178.734 184.974 216.412 1.00 37.55 H +ATOM 8374 HA PHE A 556 177.445 185.782 214.303 1.00 34.85 H +ATOM 8375 HB2 PHE A 556 179.154 186.988 215.597 1.00 37.74 H +ATOM 8376 HB3 PHE A 556 180.195 186.267 214.643 1.00 37.74 H +ATOM 8377 HD1 PHE A 556 177.130 187.586 213.488 1.00 37.29 H +ATOM 8378 HD2 PHE A 556 181.076 188.204 213.595 1.00 45.23 H +ATOM 8379 HE1 PHE A 556 176.906 189.287 211.952 1.00 40.09 H +ATOM 8380 HE2 PHE A 556 180.855 189.906 212.059 1.00 47.30 H +ATOM 8381 HZ PHE A 556 178.766 190.452 211.232 1.00 49.15 H +ATOM 8382 N GLN A 557 179.675 183.575 213.763 1.00 29.42 N +ATOM 8383 CA GLN A 557 180.255 182.676 212.772 1.00 36.19 C +ATOM 8384 C GLN A 557 179.247 181.644 212.280 1.00 30.10 C +ATOM 8385 O GLN A 557 179.337 181.173 211.147 1.00 28.87 O +ATOM 8386 CB GLN A 557 181.480 181.959 213.346 1.00 39.73 C +ATOM 8387 CG GLN A 557 182.794 182.314 212.665 1.00 51.11 C +ATOM 8388 CD GLN A 557 183.571 181.090 212.228 1.00 61.89 C +ATOM 8389 OE1 GLN A 557 183.705 180.121 212.977 1.00 59.45 O +ATOM 8390 NE2 GLN A 557 184.082 181.124 211.004 1.00 63.36 N +ATOM 8391 H GLN A 557 179.962 183.448 214.564 1.00 35.30 H +ATOM 8392 HA GLN A 557 180.546 183.197 212.007 1.00 43.43 H +ATOM 8393 HB2 GLN A 557 181.563 182.190 214.284 1.00 47.68 H +ATOM 8394 HB3 GLN A 557 181.351 181.002 213.255 1.00 47.68 H +ATOM 8395 HG2 GLN A 557 182.608 182.849 211.878 1.00 61.33 H +ATOM 8396 HG3 GLN A 557 183.347 182.815 213.285 1.00 61.33 H +ATOM 8397 HE21 GLN A 557 183.963 181.816 210.508 1.00 76.03 H +ATOM 8398 HE22 GLN A 557 184.532 180.454 210.707 1.00 76.03 H +ATOM 8399 N ILE A 558 178.296 181.290 213.139 1.00 30.21 N +ATOM 8400 CA ILE A 558 177.241 180.359 212.763 1.00 27.96 C +ATOM 8401 C ILE A 558 176.491 180.909 211.556 1.00 29.38 C +ATOM 8402 O ILE A 558 176.189 180.181 210.615 1.00 30.35 O +ATOM 8403 CB ILE A 558 176.260 180.107 213.930 1.00 27.92 C +ATOM 8404 CG1 ILE A 558 176.975 179.364 215.063 1.00 26.77 C +ATOM 8405 CG2 ILE A 558 175.048 179.307 213.457 1.00 22.29 C +ATOM 8406 CD1 ILE A 558 176.146 179.183 216.317 1.00 25.84 C +ATOM 8407 H ILE A 558 178.240 181.576 213.948 1.00 36.26 H +ATOM 8408 HA ILE A 558 177.639 179.510 212.512 1.00 33.55 H +ATOM 8409 HB ILE A 558 175.953 180.963 214.267 1.00 33.51 H +ATOM 8410 HG12 ILE A 558 177.226 178.483 214.747 1.00 32.12 H +ATOM 8411 HG13 ILE A 558 177.771 179.863 215.307 1.00 32.12 H +ATOM 8412 HG21 ILE A 558 174.451 179.164 214.208 1.00 26.75 H +ATOM 8413 HG22 ILE A 558 174.591 179.807 212.762 1.00 26.75 H +ATOM 8414 HG23 ILE A 558 175.350 178.454 213.107 1.00 26.75 H +ATOM 8415 HD11 ILE A 558 176.673 178.707 216.977 1.00 31.00 H +ATOM 8416 HD12 ILE A 558 175.897 180.056 216.659 1.00 31.00 H +ATOM 8417 HD13 ILE A 558 175.351 178.673 216.097 1.00 31.00 H +ATOM 8418 N ILE A 559 176.205 182.204 211.588 1.00 28.24 N +ATOM 8419 CA ILE A 559 175.530 182.860 210.480 1.00 34.80 C +ATOM 8420 C ILE A 559 176.393 182.807 209.226 1.00 32.73 C +ATOM 8421 O ILE A 559 175.954 182.358 208.168 1.00 26.90 O +ATOM 8422 CB ILE A 559 175.200 184.331 210.818 1.00 34.66 C +ATOM 8423 CG1 ILE A 559 174.133 184.390 211.916 1.00 33.75 C +ATOM 8424 CG2 ILE A 559 174.726 185.086 209.571 1.00 34.24 C +ATOM 8425 CD1 ILE A 559 173.876 185.786 212.462 1.00 34.69 C +ATOM 8426 H ILE A 559 176.392 182.727 212.245 1.00 33.89 H +ATOM 8427 HA ILE A 559 174.698 182.397 210.295 1.00 41.76 H +ATOM 8428 HB ILE A 559 176.005 184.758 211.148 1.00 41.59 H +ATOM 8429 HG12 ILE A 559 173.297 184.056 211.556 1.00 40.50 H +ATOM 8430 HG13 ILE A 559 174.417 183.832 212.656 1.00 40.50 H +ATOM 8431 HG21 ILE A 559 174.527 186.004 209.815 1.00 41.09 H +ATOM 8432 HG22 ILE A 559 175.430 185.066 208.904 1.00 41.09 H +ATOM 8433 HG23 ILE A 559 173.930 184.655 209.224 1.00 41.09 H +ATOM 8434 HD11 ILE A 559 173.192 185.736 213.148 1.00 41.62 H +ATOM 8435 HD12 ILE A 559 174.699 186.134 212.840 1.00 41.62 H +ATOM 8436 HD13 ILE A 559 173.577 186.358 211.737 1.00 41.62 H +ATOM 8437 N ASN A 560 177.630 183.261 209.354 1.00 30.93 N +ATOM 8438 CA ASN A 560 178.472 183.476 208.191 1.00 37.96 C +ATOM 8439 C ASN A 560 179.083 182.198 207.610 1.00 33.60 C +ATOM 8440 O ASN A 560 179.734 182.252 206.574 1.00 36.61 O +ATOM 8441 CB ASN A 560 179.572 184.475 208.544 1.00 42.66 C +ATOM 8442 CG ASN A 560 179.026 185.875 208.777 1.00 42.04 C +ATOM 8443 OD1 ASN A 560 179.221 186.467 209.838 1.00 32.92 O +ATOM 8444 ND2 ASN A 560 178.324 186.403 207.783 1.00 31.73 N +ATOM 8445 H ASN A 560 178.006 183.453 210.104 1.00 37.11 H +ATOM 8446 HA ASN A 560 177.930 183.877 207.494 1.00 45.56 H +ATOM 8447 HB2 ASN A 560 180.016 184.186 209.357 1.00 51.19 H +ATOM 8448 HB3 ASN A 560 180.209 184.518 207.814 1.00 51.19 H +ATOM 8449 HD21 ASN A 560 177.992 187.193 207.863 1.00 38.07 H +ATOM 8450 HD22 ASN A 560 178.201 185.957 207.058 1.00 38.07 H +ATOM 8451 N THR A 561 178.858 181.057 208.262 1.00 32.71 N +ATOM 8452 CA THR A 561 179.291 179.761 207.733 1.00 32.23 C +ATOM 8453 C THR A 561 178.114 178.832 207.443 1.00 37.35 C +ATOM 8454 O THR A 561 178.306 177.642 207.194 1.00 43.11 O +ATOM 8455 CB THR A 561 180.246 179.031 208.704 1.00 32.29 C +ATOM 8456 OG1 THR A 561 179.586 178.809 209.958 1.00 33.01 O +ATOM 8457 CG2 THR A 561 181.510 179.839 208.930 1.00 32.83 C +ATOM 8458 H THR A 561 178.453 181.006 209.019 1.00 39.25 H +ATOM 8459 HA THR A 561 179.767 179.906 206.900 1.00 38.68 H +ATOM 8460 HB THR A 561 180.497 178.176 208.321 1.00 38.74 H +ATOM 8461 HG1 THR A 561 179.359 179.543 210.297 1.00 39.62 H +ATOM 8462 HG21 THR A 561 182.099 179.369 209.541 1.00 39.39 H +ATOM 8463 HG22 THR A 561 181.972 179.973 208.087 1.00 39.39 H +ATOM 8464 HG23 THR A 561 181.288 180.704 209.308 1.00 39.39 H +ATOM 8465 N ALA A 562 176.899 179.370 207.473 1.00 40.01 N +ATOM 8466 CA ALA A 562 175.702 178.554 207.290 1.00 35.70 C +ATOM 8467 C ALA A 562 175.487 178.157 205.833 1.00 31.25 C +ATOM 8468 O ALA A 562 175.778 178.921 204.914 1.00 31.17 O +ATOM 8469 CB ALA A 562 174.478 179.290 207.811 1.00 32.78 C +ATOM 8470 H ALA A 562 176.739 180.206 207.597 1.00 48.01 H +ATOM 8471 HA ALA A 562 175.799 177.739 207.807 1.00 42.84 H +ATOM 8472 HB1 ALA A 562 173.695 178.733 207.681 1.00 39.34 H +ATOM 8473 HB2 ALA A 562 174.599 179.475 208.756 1.00 39.34 H +ATOM 8474 HB3 ALA A 562 174.378 180.122 207.322 1.00 39.34 H +ATOM 8475 N SER A 563 174.968 176.949 205.641 1.00 30.97 N +ATOM 8476 CA SER A 563 174.596 176.456 204.321 1.00 28.66 C +ATOM 8477 C SER A 563 173.484 175.429 204.472 1.00 25.99 C +ATOM 8478 O SER A 563 173.270 174.903 205.564 1.00 26.45 O +ATOM 8479 CB SER A 563 175.799 175.840 203.611 1.00 27.70 C +ATOM 8480 OG SER A 563 176.276 174.706 204.313 1.00 30.55 O +ATOM 8481 H SER A 563 174.819 176.386 206.273 1.00 37.17 H +ATOM 8482 HA SER A 563 174.265 177.191 203.783 1.00 34.40 H +ATOM 8483 HB2 SER A 563 175.533 175.569 202.718 1.00 33.24 H +ATOM 8484 HB3 SER A 563 176.508 176.501 203.559 1.00 33.24 H +ATOM 8485 HG SER A 563 176.937 174.377 203.913 1.00 36.66 H +ATOM 8486 N ILE A 564 172.774 175.147 203.386 1.00 23.24 N +ATOM 8487 CA ILE A 564 171.735 174.127 203.412 1.00 34.02 C +ATOM 8488 C ILE A 564 172.336 172.786 203.830 1.00 32.70 C +ATOM 8489 O ILE A 564 171.690 171.998 204.515 1.00 34.79 O +ATOM 8490 CB ILE A 564 171.026 173.988 202.037 1.00 37.50 C +ATOM 8491 CG1 ILE A 564 169.856 173.000 202.117 1.00 39.62 C +ATOM 8492 CG2 ILE A 564 172.012 173.568 200.947 1.00 41.79 C +ATOM 8493 CD1 ILE A 564 168.679 173.501 202.925 1.00 42.15 C +ATOM 8494 H ILE A 564 172.875 175.530 202.623 1.00 27.89 H +ATOM 8495 HA ILE A 564 171.066 174.375 204.070 1.00 40.82 H +ATOM 8496 HB ILE A 564 170.667 174.857 201.796 1.00 45.01 H +ATOM 8497 HG12 ILE A 564 169.540 172.817 201.218 1.00 47.54 H +ATOM 8498 HG13 ILE A 564 170.169 172.179 202.528 1.00 47.54 H +ATOM 8499 HG21 ILE A 564 171.538 173.490 200.105 1.00 50.15 H +ATOM 8500 HG22 ILE A 564 172.708 174.240 200.876 1.00 50.15 H +ATOM 8501 HG23 ILE A 564 172.402 172.712 201.188 1.00 50.15 H +ATOM 8502 HD11 ILE A 564 167.986 172.823 202.928 1.00 50.57 H +ATOM 8503 HD12 ILE A 564 168.973 173.678 203.833 1.00 50.57 H +ATOM 8504 HD13 ILE A 564 168.344 174.317 202.521 1.00 50.57 H +ATOM 8505 N GLN A 565 173.582 172.543 203.435 1.00 38.37 N +ATOM 8506 CA GLN A 565 174.260 171.293 203.770 1.00 40.24 C +ATOM 8507 C GLN A 565 174.596 171.218 205.257 1.00 29.89 C +ATOM 8508 O GLN A 565 174.385 170.187 205.890 1.00 35.15 O +ATOM 8509 CB GLN A 565 175.535 171.130 202.934 1.00 37.75 C +ATOM 8510 CG GLN A 565 176.330 169.861 203.230 1.00 35.59 C +ATOM 8511 CD GLN A 565 175.541 168.587 202.963 1.00 53.15 C +ATOM 8512 OE1 GLN A 565 175.626 168.008 201.881 1.00 48.49 O +ATOM 8513 NE2 GLN A 565 174.773 168.142 203.954 1.00 42.69 N +ATOM 8514 H GLN A 565 174.059 173.086 202.969 1.00 46.05 H +ATOM 8515 HA GLN A 565 173.670 170.552 203.561 1.00 48.28 H +ATOM 8516 HB2 GLN A 565 175.290 171.111 201.995 1.00 45.29 H +ATOM 8517 HB3 GLN A 565 176.116 171.888 203.104 1.00 45.29 H +ATOM 8518 HG2 GLN A 565 177.121 169.846 202.669 1.00 42.71 H +ATOM 8519 HG3 GLN A 565 176.588 169.862 204.166 1.00 42.71 H +ATOM 8520 HE21 GLN A 565 174.740 168.571 204.699 1.00 51.23 H +ATOM 8521 HE22 GLN A 565 174.308 167.426 203.849 1.00 51.23 H +ATOM 8522 N SER A 566 175.119 172.305 205.814 1.00 33.61 N +ATOM 8523 CA SER A 566 175.492 172.326 207.227 1.00 31.97 C +ATOM 8524 C SER A 566 174.263 172.303 208.136 1.00 29.29 C +ATOM 8525 O SER A 566 174.321 171.777 209.246 1.00 31.48 O +ATOM 8526 CB SER A 566 176.348 173.552 207.543 1.00 29.63 C +ATOM 8527 OG SER A 566 175.569 174.734 207.545 1.00 39.62 O +ATOM 8528 H SER A 566 175.269 173.043 205.398 1.00 40.33 H +ATOM 8529 HA SER A 566 176.020 171.536 207.423 1.00 38.37 H +ATOM 8530 HB2 SER A 566 176.749 173.438 208.419 1.00 35.55 H +ATOM 8531 HB3 SER A 566 177.041 173.633 206.870 1.00 35.55 H +ATOM 8532 HG SER A 566 176.054 175.397 207.720 1.00 47.54 H +ATOM 8533 N LEU A 567 173.157 172.875 207.670 1.00 33.59 N +ATOM 8534 CA LEU A 567 171.903 172.816 208.414 1.00 34.17 C +ATOM 8535 C LEU A 567 171.467 171.366 208.561 1.00 32.02 C +ATOM 8536 O LEU A 567 171.140 170.913 209.656 1.00 34.26 O +ATOM 8537 CB LEU A 567 170.808 173.626 207.718 1.00 30.12 C +ATOM 8538 CG LEU A 567 169.459 173.679 208.447 1.00 30.51 C +ATOM 8539 CD1 LEU A 567 169.542 174.589 209.657 1.00 29.19 C +ATOM 8540 CD2 LEU A 567 168.337 174.122 207.516 1.00 30.65 C +ATOM 8541 H LEU A 567 173.107 173.303 206.926 1.00 40.31 H +ATOM 8542 HA LEU A 567 172.039 173.186 209.300 1.00 41.01 H +ATOM 8543 HB2 LEU A 567 171.119 174.539 207.616 1.00 36.14 H +ATOM 8544 HB3 LEU A 567 170.650 173.239 206.842 1.00 36.14 H +ATOM 8545 HG LEU A 567 169.243 172.788 208.763 1.00 36.61 H +ATOM 8546 HD11 LEU A 567 168.679 174.605 210.099 1.00 35.03 H +ATOM 8547 HD12 LEU A 567 170.218 174.247 210.263 1.00 35.03 H +ATOM 8548 HD13 LEU A 567 169.781 175.482 209.365 1.00 35.03 H +ATOM 8549 HD21 LEU A 567 167.504 174.143 208.013 1.00 36.78 H +ATOM 8550 HD22 LEU A 567 168.541 175.007 207.175 1.00 36.78 H +ATOM 8551 HD23 LEU A 567 168.269 173.492 206.782 1.00 36.78 H +ATOM 8552 N ILE A 568 171.467 170.645 207.446 1.00 37.43 N +ATOM 8553 CA ILE A 568 171.113 169.233 207.441 1.00 44.45 C +ATOM 8554 C ILE A 568 172.149 168.431 208.223 1.00 37.63 C +ATOM 8555 O ILE A 568 171.798 167.590 209.046 1.00 35.30 O +ATOM 8556 CB ILE A 568 170.983 168.699 205.991 1.00 34.79 C +ATOM 8557 CG1 ILE A 568 169.538 168.836 205.507 1.00 34.85 C +ATOM 8558 CG2 ILE A 568 171.399 167.228 205.881 1.00 48.34 C +ATOM 8559 CD1 ILE A 568 168.994 170.248 205.550 1.00 38.55 C +ATOM 8560 H ILE A 568 171.671 170.956 206.670 1.00 44.92 H +ATOM 8561 HA ILE A 568 170.255 169.121 207.879 1.00 53.34 H +ATOM 8562 HB ILE A 568 171.555 169.228 205.413 1.00 41.74 H +ATOM 8563 HG12 ILE A 568 169.488 168.529 204.588 1.00 41.83 H +ATOM 8564 HG13 ILE A 568 168.970 168.284 206.067 1.00 41.83 H +ATOM 8565 HG21 ILE A 568 171.301 166.940 204.960 1.00 58.01 H +ATOM 8566 HG22 ILE A 568 172.325 167.140 206.158 1.00 58.01 H +ATOM 8567 HG23 ILE A 568 170.829 166.695 206.457 1.00 58.01 H +ATOM 8568 HD11 ILE A 568 168.079 170.243 205.228 1.00 46.26 H +ATOM 8569 HD12 ILE A 568 169.022 170.568 206.465 1.00 46.26 H +ATOM 8570 HD13 ILE A 568 169.541 170.814 204.984 1.00 46.26 H +ATOM 8571 N CYS A 569 173.423 168.711 207.974 1.00 35.70 N +ATOM 8572 CA CYS A 569 174.508 167.965 208.604 1.00 41.80 C +ATOM 8573 C CYS A 569 174.487 168.075 210.127 1.00 36.30 C +ATOM 8574 O CYS A 569 174.811 167.118 210.826 1.00 40.65 O +ATOM 8575 CB CYS A 569 175.858 168.450 208.074 1.00 47.75 C +ATOM 8576 SG CYS A 569 177.265 167.452 208.613 1.00 61.01 S +ATOM 8577 H CYS A 569 173.688 169.331 207.440 1.00 42.84 H +ATOM 8578 HA CYS A 569 174.418 167.028 208.373 1.00 50.17 H +ATOM 8579 HB2 CYS A 569 175.837 168.431 207.104 1.00 57.30 H +ATOM 8580 HB3 CYS A 569 176.006 169.358 208.381 1.00 57.30 H +ATOM 8581 N ASN A 570 174.100 169.238 210.639 1.00 41.55 N +ATOM 8582 CA ASN A 570 174.105 169.475 212.080 1.00 40.49 C +ATOM 8583 C ASN A 570 172.899 168.891 212.811 1.00 38.90 C +ATOM 8584 O ASN A 570 172.991 168.572 213.994 1.00 38.37 O +ATOM 8585 CB ASN A 570 174.172 170.976 212.369 1.00 37.26 C +ATOM 8586 CG ASN A 570 175.572 171.542 212.225 1.00 37.31 C +ATOM 8587 OD1 ASN A 570 176.563 170.821 212.327 1.00 38.78 O +ATOM 8588 ND2 ASN A 570 175.658 172.848 211.998 1.00 44.09 N +ATOM 8589 H ASN A 570 173.831 169.908 210.173 1.00 49.86 H +ATOM 8590 HA ASN A 570 174.900 169.068 212.457 1.00 48.58 H +ATOM 8591 HB2 ASN A 570 173.594 171.443 211.745 1.00 44.72 H +ATOM 8592 HB3 ASN A 570 173.877 171.136 213.279 1.00 44.72 H +ATOM 8593 HD21 ASN A 570 176.428 173.220 211.909 1.00 52.91 H +ATOM 8594 HD22 ASN A 570 174.943 173.323 211.941 1.00 52.91 H +ATOM 8595 N ASN A 571 171.776 168.750 212.113 1.00 36.56 N +ATOM 8596 CA ASN A 571 170.510 168.411 212.761 1.00 40.20 C +ATOM 8597 C ASN A 571 169.851 167.132 212.250 1.00 44.45 C +ATOM 8598 O ASN A 571 168.791 166.743 212.741 1.00 41.48 O +ATOM 8599 CB ASN A 571 169.530 169.572 212.605 1.00 38.71 C +ATOM 8600 CG ASN A 571 170.048 170.853 213.226 1.00 36.08 C +ATOM 8601 OD1 ASN A 571 170.128 170.977 214.448 1.00 30.12 O +ATOM 8602 ND2 ASN A 571 170.404 171.815 212.386 1.00 30.97 N +ATOM 8603 H ASN A 571 171.719 168.846 211.260 1.00 43.87 H +ATOM 8604 HA ASN A 571 170.674 168.293 213.709 1.00 48.24 H +ATOM 8605 HB2 ASN A 571 169.379 169.735 211.661 1.00 46.45 H +ATOM 8606 HB3 ASN A 571 168.695 169.343 213.042 1.00 46.45 H +ATOM 8607 HD21 ASN A 571 170.705 172.562 212.689 1.00 37.16 H +ATOM 8608 HD22 ASN A 571 170.335 171.693 211.538 1.00 37.16 H +ATOM 8609 N VAL A 572 170.477 166.480 211.275 1.00 43.67 N +ATOM 8610 CA VAL A 572 169.950 165.237 210.717 1.00 45.91 C +ATOM 8611 C VAL A 572 170.921 164.088 210.974 1.00 47.67 C +ATOM 8612 O VAL A 572 172.116 164.195 210.704 1.00 47.56 O +ATOM 8613 CB VAL A 572 169.682 165.367 209.206 1.00 43.76 C +ATOM 8614 CG1 VAL A 572 169.123 164.068 208.642 1.00 41.73 C +ATOM 8615 CG2 VAL A 572 168.718 166.519 208.945 1.00 38.90 C +ATOM 8616 H VAL A 572 171.215 166.738 210.917 1.00 52.40 H +ATOM 8617 HA VAL A 572 169.111 165.025 211.153 1.00 55.09 H +ATOM 8618 HB VAL A 572 170.516 165.560 208.750 1.00 52.51 H +ATOM 8619 HG11 VAL A 572 168.964 164.179 207.692 1.00 50.07 H +ATOM 8620 HG12 VAL A 572 169.766 163.357 208.790 1.00 50.07 H +ATOM 8621 HG13 VAL A 572 168.290 163.861 209.095 1.00 50.07 H +ATOM 8622 HG21 VAL A 572 168.559 166.588 207.991 1.00 46.68 H +ATOM 8623 HG22 VAL A 572 167.884 166.343 209.408 1.00 46.68 H +ATOM 8624 HG23 VAL A 572 169.113 167.342 209.275 1.00 46.68 H +ATOM 8625 N LYS A 573 170.387 162.993 211.503 1.00 58.74 N +ATOM 8626 CA LYS A 573 171.184 161.825 211.855 1.00 46.18 C +ATOM 8627 C LYS A 573 171.875 161.240 210.630 1.00 47.95 C +ATOM 8628 O LYS A 573 171.251 161.059 209.585 1.00 37.25 O +ATOM 8629 CB LYS A 573 170.299 160.766 212.514 1.00 47.12 C +ATOM 8630 CG LYS A 573 171.060 159.650 213.201 1.00 57.18 C +ATOM 8631 CD LYS A 573 170.110 158.570 213.689 1.00 63.83 C +ATOM 8632 CE LYS A 573 170.824 157.534 214.536 1.00 70.03 C +ATOM 8633 NZ LYS A 573 169.926 156.401 214.883 1.00 74.81 N +ATOM 8634 H LYS A 573 169.548 162.901 211.671 1.00 70.49 H +ATOM 8635 HA LYS A 573 171.868 162.087 212.492 1.00 55.42 H +ATOM 8636 HB2 LYS A 573 169.743 161.198 213.182 1.00 56.54 H +ATOM 8637 HB3 LYS A 573 169.737 160.364 211.833 1.00 56.54 H +ATOM 8638 HG2 LYS A 573 171.682 159.250 212.573 1.00 68.62 H +ATOM 8639 HG3 LYS A 573 171.536 160.008 213.967 1.00 68.62 H +ATOM 8640 HD2 LYS A 573 169.415 158.977 214.229 1.00 76.59 H +ATOM 8641 HD3 LYS A 573 169.719 158.120 212.924 1.00 76.59 H +ATOM 8642 HE2 LYS A 573 171.580 157.182 214.041 1.00 84.04 H +ATOM 8643 HE3 LYS A 573 171.125 157.947 215.361 1.00 84.04 H +ATOM 8644 HZ1 LYS A 573 170.365 155.806 215.379 1.00 89.78 H +ATOM 8645 HZ2 LYS A 573 169.224 156.699 215.341 1.00 89.78 H +ATOM 8646 HZ3 LYS A 573 169.639 156.003 214.140 1.00 89.78 H +ATOM 8647 N GLY A 574 173.167 160.952 210.765 1.00 44.21 N +ATOM 8648 CA GLY A 574 173.945 160.378 209.682 1.00 50.25 C +ATOM 8649 C GLY A 574 174.587 161.426 208.791 1.00 58.77 C +ATOM 8650 O GLY A 574 175.459 161.105 207.982 1.00 53.77 O +ATOM 8651 H GLY A 574 173.618 161.083 211.486 1.00 53.05 H +ATOM 8652 HA2 GLY A 574 174.647 159.821 210.052 1.00 60.30 H +ATOM 8653 HA3 GLY A 574 173.370 159.822 209.134 1.00 60.30 H +ATOM 8654 N CYS A 575 174.155 162.676 208.940 1.00 59.50 N +ATOM 8655 CA CYS A 575 174.689 163.786 208.153 1.00 51.62 C +ATOM 8656 C CYS A 575 174.644 163.475 206.660 1.00 42.92 C +ATOM 8657 O CYS A 575 175.682 163.426 206.002 1.00 44.46 O +ATOM 8658 CB CYS A 575 176.124 164.103 208.585 1.00 48.11 C +ATOM 8659 SG CYS A 575 176.821 165.615 207.858 1.00 63.06 S +ATOM 8660 H CYS A 575 173.543 162.910 209.498 1.00 71.40 H +ATOM 8661 HA CYS A 575 174.146 164.575 208.312 1.00 61.94 H +ATOM 8662 HB2 CYS A 575 176.141 164.207 209.549 1.00 57.74 H +ATOM 8663 HB3 CYS A 575 176.695 163.363 208.327 1.00 57.74 H +ATOM 8664 N PRO A 576 173.437 163.262 206.120 1.00 41.12 N +ATOM 8665 CA PRO A 576 173.323 162.870 204.713 1.00 41.38 C +ATOM 8666 C PRO A 576 173.659 164.012 203.764 1.00 44.43 C +ATOM 8667 O PRO A 576 173.459 165.176 204.108 1.00 52.78 O +ATOM 8668 CB PRO A 576 171.854 162.466 204.585 1.00 38.23 C +ATOM 8669 CG PRO A 576 171.156 163.289 205.599 1.00 35.98 C +ATOM 8670 CD PRO A 576 172.118 163.448 206.748 1.00 41.67 C +ATOM 8671 HA PRO A 576 173.890 162.107 204.522 1.00 49.66 H +ATOM 8672 HB2 PRO A 576 171.533 162.671 203.693 1.00 45.87 H +ATOM 8673 HB3 PRO A 576 171.754 161.521 204.780 1.00 45.87 H +ATOM 8674 HG2 PRO A 576 170.936 164.154 205.218 1.00 43.18 H +ATOM 8675 HG3 PRO A 576 170.352 162.832 205.890 1.00 43.18 H +ATOM 8676 HD2 PRO A 576 172.047 164.338 207.127 1.00 50.00 H +ATOM 8677 HD3 PRO A 576 171.962 162.763 207.417 1.00 50.00 H +ATOM 8678 N PHE A 577 174.174 163.679 202.587 1.00 46.41 N +ATOM 8679 CA PHE A 577 174.408 164.678 201.557 1.00 40.92 C +ATOM 8680 C PHE A 577 173.081 165.289 201.141 1.00 39.47 C +ATOM 8681 O PHE A 577 172.094 164.577 200.968 1.00 38.31 O +ATOM 8682 CB PHE A 577 175.108 164.062 200.344 1.00 39.70 C +ATOM 8683 CG PHE A 577 175.086 164.939 199.121 1.00 36.62 C +ATOM 8684 CD1 PHE A 577 174.041 164.863 198.212 1.00 34.49 C +ATOM 8685 CD2 PHE A 577 176.109 165.840 198.880 1.00 34.89 C +ATOM 8686 CE1 PHE A 577 174.016 165.669 197.093 1.00 39.41 C +ATOM 8687 CE2 PHE A 577 176.091 166.648 197.760 1.00 38.77 C +ATOM 8688 CZ PHE A 577 175.043 166.562 196.865 1.00 36.74 C +ATOM 8689 H PHE A 577 174.397 162.880 202.360 1.00 55.70 H +ATOM 8690 HA PHE A 577 174.973 165.382 201.913 1.00 49.11 H +ATOM 8691 HB2 PHE A 577 176.036 163.892 200.570 1.00 47.63 H +ATOM 8692 HB3 PHE A 577 174.667 163.228 200.118 1.00 47.63 H +ATOM 8693 HD1 PHE A 577 173.345 164.263 198.362 1.00 41.38 H +ATOM 8694 HD2 PHE A 577 176.817 165.902 199.481 1.00 41.87 H +ATOM 8695 HE1 PHE A 577 173.310 165.608 196.491 1.00 47.29 H +ATOM 8696 HE2 PHE A 577 176.783 167.250 197.608 1.00 46.52 H +ATOM 8697 HZ PHE A 577 175.029 167.105 196.110 1.00 44.08 H +ATOM 8698 N THR A 578 173.053 166.609 200.991 1.00 41.41 N +ATOM 8699 CA THR A 578 171.887 167.269 200.426 1.00 37.37 C +ATOM 8700 C THR A 578 172.289 168.464 199.579 1.00 40.31 C +ATOM 8701 O THR A 578 173.392 168.996 199.701 1.00 40.30 O +ATOM 8702 CB THR A 578 170.894 167.727 201.519 1.00 38.60 C +ATOM 8703 OG1 THR A 578 169.596 167.898 200.938 1.00 40.66 O +ATOM 8704 CG2 THR A 578 171.339 169.035 202.185 1.00 39.84 C +ATOM 8705 H THR A 578 173.694 167.141 201.207 1.00 49.69 H +ATOM 8706 HA THR A 578 171.423 166.641 199.850 1.00 44.84 H +ATOM 8707 HB THR A 578 170.845 167.043 202.205 1.00 46.32 H +ATOM 8708 HG1 THR A 578 169.331 167.172 200.609 1.00 48.79 H +ATOM 8709 HG21 THR A 578 170.698 169.295 202.864 1.00 47.81 H +ATOM 8710 HG22 THR A 578 172.208 168.916 202.600 1.00 47.81 H +ATOM 8711 HG23 THR A 578 171.400 169.740 201.522 1.00 47.81 H +ATOM 8712 N SER A 579 171.365 168.871 198.721 1.00 33.58 N +ATOM 8713 CA SER A 579 171.576 169.957 197.786 1.00 33.41 C +ATOM 8714 C SER A 579 170.216 170.341 197.224 1.00 34.50 C +ATOM 8715 O SER A 579 169.234 169.634 197.450 1.00 36.64 O +ATOM 8716 CB SER A 579 172.543 169.538 196.676 1.00 35.01 C +ATOM 8717 OG SER A 579 172.271 170.221 195.466 1.00 42.77 O +ATOM 8718 H SER A 579 170.582 168.519 198.663 1.00 40.30 H +ATOM 8719 HA SER A 579 171.949 170.723 198.251 1.00 40.10 H +ATOM 8720 HB2 SER A 579 173.449 169.743 196.956 1.00 42.01 H +ATOM 8721 HB3 SER A 579 172.452 168.584 196.525 1.00 42.01 H +ATOM 8722 HG SER A 579 172.812 169.977 194.871 1.00 51.33 H +ATOM 8723 N PHE A 580 170.147 171.456 196.506 1.00 35.23 N +ATOM 8724 CA PHE A 580 168.887 171.894 195.916 1.00 35.01 C +ATOM 8725 C PHE A 580 168.735 171.383 194.491 1.00 33.37 C +ATOM 8726 O PHE A 580 167.727 171.650 193.841 1.00 34.99 O +ATOM 8727 CB PHE A 580 168.780 173.421 195.945 1.00 37.64 C +ATOM 8728 CG PHE A 580 168.474 173.985 197.305 1.00 36.32 C +ATOM 8729 CD1 PHE A 580 167.481 173.430 198.095 1.00 37.22 C +ATOM 8730 CD2 PHE A 580 169.181 175.067 197.793 1.00 33.80 C +ATOM 8731 CE1 PHE A 580 167.200 173.948 199.342 1.00 44.81 C +ATOM 8732 CE2 PHE A 580 168.903 175.587 199.040 1.00 46.75 C +ATOM 8733 CZ PHE A 580 167.913 175.027 199.816 1.00 40.43 C +ATOM 8734 H PHE A 580 170.813 171.975 196.346 1.00 42.27 H +ATOM 8735 HA PHE A 580 168.154 171.535 196.441 1.00 42.01 H +ATOM 8736 HB2 PHE A 580 169.623 173.798 195.651 1.00 45.17 H +ATOM 8737 HB3 PHE A 580 168.069 173.695 195.345 1.00 45.17 H +ATOM 8738 HD1 PHE A 580 166.997 172.702 197.780 1.00 44.66 H +ATOM 8739 HD2 PHE A 580 169.851 175.450 197.274 1.00 40.56 H +ATOM 8740 HE1 PHE A 580 166.531 173.567 199.863 1.00 53.78 H +ATOM 8741 HE2 PHE A 580 169.386 176.316 199.357 1.00 56.11 H +ATOM 8742 HZ PHE A 580 167.725 175.377 200.656 1.00 48.52 H +ATOM 8743 N SER A 581 169.735 170.650 194.012 1.00 41.39 N +ATOM 8744 CA SER A 581 169.645 169.989 192.715 1.00 39.44 C +ATOM 8745 C SER A 581 169.843 168.489 192.878 1.00 38.16 C +ATOM 8746 O SER A 581 170.466 168.042 193.842 1.00 36.20 O +ATOM 8747 CB SER A 581 170.681 170.555 191.742 1.00 37.58 C +ATOM 8748 OG SER A 581 171.996 170.228 192.147 1.00 48.30 O +ATOM 8749 H SER A 581 170.480 170.520 194.421 1.00 49.67 H +ATOM 8750 HA SER A 581 168.763 170.139 192.340 1.00 47.33 H +ATOM 8751 HB2 SER A 581 170.522 170.182 190.860 1.00 45.10 H +ATOM 8752 HB3 SER A 581 170.591 171.520 191.713 1.00 45.10 H +ATOM 8753 HG SER A 581 172.552 170.546 191.603 1.00 57.96 H +ATOM 8754 N VAL A 582 169.311 167.712 191.942 1.00 41.52 N +ATOM 8755 CA VAL A 582 169.488 166.266 191.985 1.00 48.45 C +ATOM 8756 C VAL A 582 170.925 165.910 191.594 1.00 44.31 C +ATOM 8757 O VAL A 582 171.515 166.578 190.745 1.00 43.01 O +ATOM 8758 CB VAL A 582 168.499 165.535 191.054 1.00 46.39 C +ATOM 8759 CG1 VAL A 582 167.065 165.848 191.452 1.00 47.85 C +ATOM 8760 CG2 VAL A 582 168.740 165.906 189.593 1.00 55.37 C +ATOM 8761 H VAL A 582 168.846 167.995 191.276 1.00 49.82 H +ATOM 8762 HA VAL A 582 169.335 165.954 192.891 1.00 58.14 H +ATOM 8763 HB VAL A 582 168.631 164.579 191.144 1.00 55.67 H +ATOM 8764 HG11 VAL A 582 166.462 165.379 190.854 1.00 57.42 H +ATOM 8765 HG12 VAL A 582 166.921 165.554 192.365 1.00 57.42 H +ATOM 8766 HG13 VAL A 582 166.921 166.804 191.385 1.00 57.42 H +ATOM 8767 HG21 VAL A 582 168.102 165.430 189.038 1.00 66.44 H +ATOM 8768 HG22 VAL A 582 168.622 166.863 189.487 1.00 66.44 H +ATOM 8769 HG23 VAL A 582 169.644 165.655 189.349 1.00 66.44 H +ATOM 8770 N PRO A 583 171.497 164.860 192.214 1.00 51.67 N +ATOM 8771 CA PRO A 583 172.859 164.401 191.906 1.00 55.99 C +ATOM 8772 C PRO A 583 173.141 164.249 190.412 1.00 52.57 C +ATOM 8773 O PRO A 583 172.248 163.840 189.673 1.00 54.20 O +ATOM 8774 CB PRO A 583 172.925 163.042 192.600 1.00 60.18 C +ATOM 8775 CG PRO A 583 172.014 163.184 193.761 1.00 58.17 C +ATOM 8776 CD PRO A 583 170.898 164.080 193.313 1.00 55.24 C +ATOM 8777 HA PRO A 583 173.515 164.997 192.300 1.00 67.19 H +ATOM 8778 HB2 PRO A 583 172.612 162.348 191.998 1.00 72.21 H +ATOM 8779 HB3 PRO A 583 173.832 162.864 192.892 1.00 72.21 H +ATOM 8780 HG2 PRO A 583 171.670 162.312 194.011 1.00 69.81 H +ATOM 8781 HG3 PRO A 583 172.495 163.585 194.502 1.00 69.81 H +ATOM 8782 HD2 PRO A 583 170.153 163.553 192.985 1.00 66.28 H +ATOM 8783 HD3 PRO A 583 170.627 164.669 194.035 1.00 66.28 H +TER 8784 PRO A 583 +ATOM 8785 N ASN B 34 176.784 191.459 237.580 1.00 50.01 N +ATOM 8786 CA ASN B 34 176.805 191.763 236.154 1.00 56.70 C +ATOM 8787 C ASN B 34 177.890 192.796 235.842 1.00 49.58 C +ATOM 8788 O ASN B 34 177.773 193.953 236.237 1.00 48.91 O +ATOM 8789 CB ASN B 34 175.436 192.273 235.705 1.00 61.64 C +ATOM 8790 CG ASN B 34 175.307 192.366 234.190 1.00 55.61 C +ATOM 8791 OD1 ASN B 34 176.295 192.504 233.470 1.00 52.29 O +ATOM 8792 ND2 ASN B 34 174.075 192.293 233.703 1.00 57.49 N +ATOM 8793 HA ASN B 34 177.005 190.954 235.658 1.00 68.03 H +ATOM 8794 HB2 ASN B 34 174.752 191.665 236.027 1.00 73.96 H +ATOM 8795 HB3 ASN B 34 175.293 193.158 236.073 1.00 73.96 H +ATOM 8796 HD21 ASN B 34 173.945 192.341 232.854 1.00 68.99 H +ATOM 8797 HD22 ASN B 34 173.407 192.198 234.236 1.00 68.99 H +ATOM 8798 N PRO B 35 178.948 192.389 235.118 1.00 51.07 N +ATOM 8799 CA PRO B 35 180.104 193.278 234.948 1.00 50.92 C +ATOM 8800 C PRO B 35 179.822 194.485 234.056 1.00 52.30 C +ATOM 8801 O PRO B 35 180.607 195.432 234.046 1.00 50.35 O +ATOM 8802 CB PRO B 35 181.151 192.362 234.309 1.00 47.32 C +ATOM 8803 CG PRO B 35 180.362 191.342 233.583 1.00 55.94 C +ATOM 8804 CD PRO B 35 179.099 191.135 234.358 1.00 50.79 C +ATOM 8805 HA PRO B 35 180.427 193.582 235.810 1.00 61.10 H +ATOM 8806 HB2 PRO B 35 181.703 192.872 233.696 1.00 56.79 H +ATOM 8807 HB3 PRO B 35 181.693 191.951 235.001 1.00 56.79 H +ATOM 8808 HG2 PRO B 35 180.161 191.666 232.691 1.00 67.12 H +ATOM 8809 HG3 PRO B 35 180.869 190.516 233.537 1.00 67.12 H +ATOM 8810 HD2 PRO B 35 178.349 191.013 233.756 1.00 60.95 H +ATOM 8811 HD3 PRO B 35 179.194 190.383 234.964 1.00 60.95 H +ATOM 8812 N CYS B 36 178.717 194.450 233.321 1.00 53.58 N +ATOM 8813 CA CYS B 36 178.345 195.561 232.454 1.00 54.32 C +ATOM 8814 C CYS B 36 177.615 196.664 233.219 1.00 46.68 C +ATOM 8815 O CYS B 36 177.309 197.715 232.658 1.00 36.57 O +ATOM 8816 CB CYS B 36 177.478 195.062 231.300 1.00 44.97 C +ATOM 8817 SG CYS B 36 178.408 194.194 230.015 1.00 41.54 S +ATOM 8818 H CYS B 36 178.163 193.792 233.307 1.00 64.29 H +ATOM 8819 HA CYS B 36 179.151 195.946 232.076 1.00 65.18 H +ATOM 8820 HB2 CYS B 36 176.813 194.449 231.651 1.00 53.96 H +ATOM 8821 HB3 CYS B 36 177.040 195.822 230.887 1.00 53.96 H +ATOM 8822 N CYS B 37 177.350 196.427 234.501 1.00 52.62 N +ATOM 8823 CA CYS B 37 176.639 197.394 235.336 1.00 46.62 C +ATOM 8824 C CYS B 37 177.354 198.741 235.416 1.00 40.53 C +ATOM 8825 O CYS B 37 176.718 199.770 235.637 1.00 41.84 O +ATOM 8826 CB CYS B 37 176.445 196.839 236.750 1.00 37.99 C +ATOM 8827 SG CYS B 37 174.953 195.840 236.963 1.00 52.64 S +ATOM 8828 H CYS B 37 177.574 195.707 234.915 1.00 63.14 H +ATOM 8829 HA CYS B 37 175.761 197.548 234.955 1.00 55.95 H +ATOM 8830 HB2 CYS B 37 177.207 196.281 236.971 1.00 45.59 H +ATOM 8831 HB3 CYS B 37 176.393 197.582 237.371 1.00 45.59 H +ATOM 8832 N SER B 38 178.671 198.733 235.238 1.00 34.17 N +ATOM 8833 CA SER B 38 179.462 199.956 235.343 1.00 36.46 C +ATOM 8834 C SER B 38 179.513 200.722 234.021 1.00 41.22 C +ATOM 8835 O SER B 38 180.063 201.820 233.956 1.00 35.23 O +ATOM 8836 CB SER B 38 180.884 199.630 235.804 1.00 37.58 C +ATOM 8837 OG SER B 38 181.587 198.897 234.818 1.00 43.50 O +ATOM 8838 H SER B 38 179.133 198.031 235.054 1.00 41.00 H +ATOM 8839 HA SER B 38 179.058 200.535 236.008 1.00 43.75 H +ATOM 8840 HB2 SER B 38 181.356 200.459 235.977 1.00 45.10 H +ATOM 8841 HB3 SER B 38 180.838 199.101 236.616 1.00 45.10 H +ATOM 8842 HG SER B 38 182.364 198.727 235.086 1.00 52.20 H +ATOM 8843 N HIS B 39 178.931 200.142 232.976 1.00 39.07 N +ATOM 8844 CA HIS B 39 178.944 200.746 231.647 1.00 40.32 C +ATOM 8845 C HIS B 39 180.377 200.997 231.180 1.00 40.59 C +ATOM 8846 O HIS B 39 180.744 202.131 230.882 1.00 38.10 O +ATOM 8847 CB HIS B 39 178.144 202.050 231.648 1.00 39.96 C +ATOM 8848 CG HIS B 39 176.823 201.943 232.344 1.00 34.52 C +ATOM 8849 ND1 HIS B 39 175.809 201.126 231.894 1.00 39.96 N +ATOM 8850 CD2 HIS B 39 176.355 202.543 233.463 1.00 31.23 C +ATOM 8851 CE1 HIS B 39 174.771 201.228 232.705 1.00 31.71 C +ATOM 8852 NE2 HIS B 39 175.077 202.083 233.665 1.00 36.59 N +ATOM 8853 H HIS B 39 178.518 199.389 233.011 1.00 46.88 H +ATOM 8854 HA HIS B 39 178.525 200.136 231.019 1.00 48.39 H +ATOM 8855 HB2 HIS B 39 178.662 202.735 232.098 1.00 47.96 H +ATOM 8856 HB3 HIS B 39 177.975 202.314 230.730 1.00 47.96 H +ATOM 8857 HD2 HIS B 39 176.812 203.153 233.995 1.00 37.48 H +ATOM 8858 HE1 HIS B 39 173.963 200.778 232.614 1.00 38.05 H +ATOM 8859 HE2 HIS B 39 174.559 202.314 234.311 1.00 43.91 H +ATOM 8860 N PRO B 40 181.188 199.930 231.101 1.00 41.38 N +ATOM 8861 CA PRO B 40 182.614 200.079 230.794 1.00 43.26 C +ATOM 8862 C PRO B 40 182.877 200.596 229.381 1.00 46.75 C +ATOM 8863 O PRO B 40 183.813 201.365 229.166 1.00 44.90 O +ATOM 8864 CB PRO B 40 183.163 198.651 230.946 1.00 46.95 C +ATOM 8865 CG PRO B 40 182.045 197.827 231.502 1.00 44.63 C +ATOM 8866 CD PRO B 40 180.787 198.515 231.146 1.00 37.71 C +ATOM 8867 HA PRO B 40 183.043 200.662 231.439 1.00 51.91 H +ATOM 8868 HB2 PRO B 40 183.434 198.315 230.077 1.00 56.34 H +ATOM 8869 HB3 PRO B 40 183.916 198.658 231.557 1.00 56.34 H +ATOM 8870 HG2 PRO B 40 182.070 196.942 231.105 1.00 53.56 H +ATOM 8871 HG3 PRO B 40 182.138 197.768 232.465 1.00 53.56 H +ATOM 8872 HD2 PRO B 40 180.475 198.223 230.275 1.00 45.25 H +ATOM 8873 HD3 PRO B 40 180.117 198.373 231.833 1.00 45.25 H +ATOM 8874 N CYS B 41 182.051 200.172 228.433 1.00 40.13 N +ATOM 8875 CA CYS B 41 182.288 200.459 227.025 1.00 40.12 C +ATOM 8876 C CYS B 41 181.984 201.911 226.671 1.00 35.89 C +ATOM 8877 O CYS B 41 180.876 202.393 226.892 1.00 35.12 O +ATOM 8878 CB CYS B 41 181.449 199.524 226.154 1.00 36.73 C +ATOM 8879 SG CYS B 41 181.697 197.772 226.520 1.00 45.74 S +ATOM 8880 H CYS B 41 181.339 199.712 228.580 1.00 48.15 H +ATOM 8881 HA CYS B 41 183.223 200.294 226.824 1.00 48.14 H +ATOM 8882 HB2 CYS B 41 180.511 199.726 226.293 1.00 44.07 H +ATOM 8883 HB3 CYS B 41 181.683 199.669 225.224 1.00 44.07 H +ATOM 8884 N GLN B 42 182.982 202.592 226.115 1.00 36.56 N +ATOM 8885 CA GLN B 42 182.853 203.987 225.709 1.00 36.36 C +ATOM 8886 C GLN B 42 182.503 204.110 224.231 1.00 35.99 C +ATOM 8887 O GLN B 42 182.606 203.145 223.476 1.00 38.84 O +ATOM 8888 CB GLN B 42 184.155 204.748 225.985 1.00 38.18 C +ATOM 8889 CG GLN B 42 184.644 204.657 227.415 1.00 43.79 C +ATOM 8890 CD GLN B 42 183.608 205.126 228.415 1.00 56.25 C +ATOM 8891 OE1 GLN B 42 183.145 206.265 228.360 1.00 58.32 O +ATOM 8892 NE2 GLN B 42 183.234 204.244 229.334 1.00 57.31 N +ATOM 8893 H GLN B 42 183.760 202.260 225.959 1.00 43.88 H +ATOM 8894 HA GLN B 42 182.144 204.404 226.223 1.00 43.63 H +ATOM 8895 HB2 GLN B 42 184.851 204.390 225.412 1.00 45.81 H +ATOM 8896 HB3 GLN B 42 184.015 205.686 225.781 1.00 45.81 H +ATOM 8897 HG2 GLN B 42 184.861 203.734 227.617 1.00 52.54 H +ATOM 8898 HG3 GLN B 42 185.432 205.214 227.516 1.00 52.54 H +ATOM 8899 HE21 GLN B 42 183.578 203.456 229.338 1.00 68.77 H +ATOM 8900 HE22 GLN B 42 182.648 204.461 229.924 1.00 68.77 H +ATOM 8901 N ASN B 43 182.086 205.308 223.835 1.00 41.02 N +ATOM 8902 CA ASN B 43 181.924 205.660 222.427 1.00 41.37 C +ATOM 8903 C ASN B 43 181.044 204.694 221.643 1.00 35.54 C +ATOM 8904 O ASN B 43 181.380 204.317 220.525 1.00 31.14 O +ATOM 8905 CB ASN B 43 183.299 205.746 221.764 1.00 39.82 C +ATOM 8906 CG ASN B 43 184.237 206.682 222.495 1.00 40.77 C +ATOM 8907 OD1 ASN B 43 183.868 207.801 222.847 1.00 43.90 O +ATOM 8908 ND2 ASN B 43 185.456 206.221 222.742 1.00 45.63 N +ATOM 8909 H ASN B 43 181.886 205.948 224.374 1.00 49.23 H +ATOM 8910 HA ASN B 43 181.515 206.538 222.373 1.00 49.65 H +ATOM 8911 HB2 ASN B 43 183.701 204.864 221.753 1.00 47.79 H +ATOM 8912 HB3 ASN B 43 183.193 206.075 220.857 1.00 47.79 H +ATOM 8913 HD21 ASN B 43 186.026 206.715 223.155 1.00 54.76 H +ATOM 8914 HD22 ASN B 43 185.676 205.430 222.489 1.00 54.76 H +ATOM 8915 N ARG B 44 179.926 204.297 222.248 1.00 38.06 N +ATOM 8916 CA ARG B 44 178.908 203.451 221.613 1.00 45.19 C +ATOM 8917 C ARG B 44 179.297 201.979 221.554 1.00 39.43 C +ATOM 8918 O ARG B 44 178.596 201.181 220.937 1.00 46.66 O +ATOM 8919 CB ARG B 44 178.585 203.938 220.192 1.00 40.90 C +ATOM 8920 CG ARG B 44 178.219 205.410 220.095 1.00 35.88 C +ATOM 8921 CD ARG B 44 176.986 205.731 220.910 1.00 35.81 C +ATOM 8922 NE ARG B 44 175.895 204.803 220.631 1.00 47.83 N +ATOM 8923 CZ ARG B 44 175.105 204.870 219.565 1.00 46.73 C +ATOM 8924 NH1 ARG B 44 175.277 205.822 218.657 1.00 35.58 N +ATOM 8925 NH2 ARG B 44 174.140 203.975 219.403 1.00 43.90 N +ATOM 8926 H ARG B 44 179.726 204.512 223.057 1.00 45.67 H +ATOM 8927 HA ARG B 44 178.092 203.514 222.133 1.00 54.23 H +ATOM 8928 HB2 ARG B 44 179.362 203.791 219.630 1.00 49.09 H +ATOM 8929 HB3 ARG B 44 177.835 203.426 219.852 1.00 49.09 H +ATOM 8930 HG2 ARG B 44 178.954 205.946 220.433 1.00 43.06 H +ATOM 8931 HG3 ARG B 44 178.038 205.635 219.169 1.00 43.06 H +ATOM 8932 HD2 ARG B 44 177.202 205.669 221.854 1.00 42.97 H +ATOM 8933 HD3 ARG B 44 176.684 206.627 220.694 1.00 42.97 H +ATOM 8934 HE ARG B 44 175.754 204.169 221.195 1.00 57.39 H +ATOM 8935 HH11 ARG B 44 175.902 206.404 218.758 1.00 42.70 H +ATOM 8936 HH12 ARG B 44 174.762 205.859 217.970 1.00 42.70 H +ATOM 8937 HH21 ARG B 44 174.026 203.355 219.989 1.00 52.68 H +ATOM 8938 HH22 ARG B 44 173.627 204.015 218.714 1.00 52.68 H +ATOM 8939 N GLY B 45 180.403 201.614 222.193 1.00 46.04 N +ATOM 8940 CA GLY B 45 180.791 200.218 222.257 1.00 40.94 C +ATOM 8941 C GLY B 45 179.717 199.410 222.958 1.00 40.57 C +ATOM 8942 O GLY B 45 179.135 199.873 223.938 1.00 45.54 O +ATOM 8943 H GLY B 45 180.940 202.154 222.594 1.00 55.24 H +ATOM 8944 HA2 GLY B 45 180.915 199.868 221.361 1.00 49.13 H +ATOM 8945 HA3 GLY B 45 181.623 200.129 222.748 1.00 49.13 H +ATOM 8946 N VAL B 46 179.444 198.209 222.458 1.00 39.39 N +ATOM 8947 CA VAL B 46 178.394 197.366 223.025 1.00 42.86 C +ATOM 8948 C VAL B 46 178.985 196.415 224.055 1.00 37.57 C +ATOM 8949 O VAL B 46 179.891 195.644 223.749 1.00 36.04 O +ATOM 8950 CB VAL B 46 177.662 196.553 221.941 1.00 37.25 C +ATOM 8951 CG1 VAL B 46 176.516 195.761 222.554 1.00 35.34 C +ATOM 8952 CG2 VAL B 46 177.142 197.472 220.846 1.00 30.58 C +ATOM 8953 H VAL B 46 179.853 197.858 221.788 1.00 47.26 H +ATOM 8954 HA VAL B 46 177.742 197.928 223.472 1.00 51.44 H +ATOM 8955 HB VAL B 46 178.283 195.925 221.540 1.00 44.70 H +ATOM 8956 HG11 VAL B 46 176.071 195.258 221.855 1.00 42.41 H +ATOM 8957 HG12 VAL B 46 176.874 195.155 223.222 1.00 42.41 H +ATOM 8958 HG13 VAL B 46 175.892 196.378 222.968 1.00 42.41 H +ATOM 8959 HG21 VAL B 46 176.686 196.939 220.176 1.00 36.70 H +ATOM 8960 HG22 VAL B 46 176.526 198.111 221.237 1.00 36.70 H +ATOM 8961 HG23 VAL B 46 177.892 197.938 220.444 1.00 36.70 H +ATOM 8962 N CYS B 47 178.464 196.476 225.276 1.00 45.07 N +ATOM 8963 CA CYS B 47 178.950 195.630 226.359 1.00 48.98 C +ATOM 8964 C CYS B 47 178.242 194.285 226.346 1.00 41.85 C +ATOM 8965 O CYS B 47 177.038 194.202 226.113 1.00 42.11 O +ATOM 8966 CB CYS B 47 178.755 196.307 227.715 1.00 48.53 C +ATOM 8967 SG CYS B 47 179.652 195.506 229.079 1.00 42.49 S +ATOM 8968 H CYS B 47 177.823 197.003 225.505 1.00 54.08 H +ATOM 8969 HA CYS B 47 179.899 195.472 226.235 1.00 58.78 H +ATOM 8970 HB2 CYS B 47 179.067 197.223 227.654 1.00 58.23 H +ATOM 8971 HB3 CYS B 47 177.810 196.296 227.936 1.00 58.23 H +ATOM 8972 N MET B 48 179.012 193.236 226.597 1.00 52.84 N +ATOM 8973 CA MET B 48 178.505 191.877 226.597 1.00 47.43 C +ATOM 8974 C MET B 48 179.192 191.116 227.715 1.00 45.72 C +ATOM 8975 O MET B 48 180.412 191.179 227.852 1.00 43.00 O +ATOM 8976 CB MET B 48 178.766 191.208 225.246 1.00 44.92 C +ATOM 8977 CG MET B 48 178.194 189.808 225.111 1.00 42.75 C +ATOM 8978 SD MET B 48 178.647 189.024 223.554 1.00 43.84 S +ATOM 8979 CE MET B 48 180.423 188.880 223.737 1.00 56.22 C +ATOM 8980 H MET B 48 179.852 193.290 226.775 1.00 63.41 H +ATOM 8981 HA MET B 48 177.548 191.889 226.754 1.00 56.91 H +ATOM 8982 HB2 MET B 48 178.372 191.755 224.548 1.00 53.91 H +ATOM 8983 HB3 MET B 48 179.724 191.147 225.110 1.00 53.91 H +ATOM 8984 HG2 MET B 48 178.531 189.257 225.835 1.00 51.30 H +ATOM 8985 HG3 MET B 48 177.226 189.857 225.153 1.00 51.30 H +ATOM 8986 HE1 MET B 48 180.790 188.462 222.942 1.00 67.47 H +ATOM 8987 HE2 MET B 48 180.802 189.766 223.849 1.00 67.47 H +ATOM 8988 HE3 MET B 48 180.617 188.336 224.516 1.00 67.47 H +ATOM 8989 N SER B 49 178.413 190.412 228.525 1.00 42.16 N +ATOM 8990 CA SER B 49 178.989 189.605 229.587 1.00 41.50 C +ATOM 8991 C SER B 49 179.630 188.367 228.976 1.00 47.00 C +ATOM 8992 O SER B 49 179.113 187.803 228.013 1.00 41.66 O +ATOM 8993 CB SER B 49 177.931 189.210 230.619 1.00 34.44 C +ATOM 8994 OG SER B 49 176.969 188.334 230.058 1.00 37.88 O +ATOM 8995 H SER B 49 177.554 190.384 228.481 1.00 50.59 H +ATOM 8996 HA SER B 49 179.680 190.115 230.039 1.00 49.80 H +ATOM 8997 HB2 SER B 49 178.366 188.765 231.362 1.00 41.33 H +ATOM 8998 HB3 SER B 49 177.481 190.012 230.930 1.00 41.33 H +ATOM 8999 HG SER B 49 177.344 187.634 229.783 1.00 45.45 H +ATOM 9000 N VAL B 50 180.770 187.968 229.528 1.00 43.51 N +ATOM 9001 CA VAL B 50 181.452 186.750 229.112 1.00 45.85 C +ATOM 9002 C VAL B 50 181.789 185.961 230.366 1.00 49.43 C +ATOM 9003 O VAL B 50 182.738 186.282 231.075 1.00 52.81 O +ATOM 9004 CB VAL B 50 182.727 187.048 228.304 1.00 44.18 C +ATOM 9005 CG1 VAL B 50 183.397 185.754 227.871 1.00 47.09 C +ATOM 9006 CG2 VAL B 50 182.396 187.903 227.091 1.00 47.75 C +ATOM 9007 H VAL B 50 181.175 188.393 230.156 1.00 52.21 H +ATOM 9008 HA VAL B 50 180.857 186.216 228.563 1.00 55.02 H +ATOM 9009 HB VAL B 50 183.350 187.540 228.862 1.00 53.02 H +ATOM 9010 HG11 VAL B 50 184.196 185.967 227.365 1.00 56.51 H +ATOM 9011 HG12 VAL B 50 183.631 185.240 228.660 1.00 56.51 H +ATOM 9012 HG13 VAL B 50 182.780 185.249 227.318 1.00 56.51 H +ATOM 9013 HG21 VAL B 50 183.212 188.078 226.597 1.00 57.30 H +ATOM 9014 HG22 VAL B 50 181.766 187.424 226.531 1.00 57.30 H +ATOM 9015 HG23 VAL B 50 182.005 188.738 227.392 1.00 57.30 H +ATOM 9016 N GLY B 51 181.000 184.932 230.640 1.00 43.94 N +ATOM 9017 CA GLY B 51 181.080 184.252 231.915 1.00 46.93 C +ATOM 9018 C GLY B 51 180.486 185.148 232.982 1.00 51.67 C +ATOM 9019 O GLY B 51 179.802 186.123 232.670 1.00 57.74 O +ATOM 9020 H GLY B 51 180.411 184.610 230.103 1.00 52.73 H +ATOM 9021 HA2 GLY B 51 180.582 183.420 231.883 1.00 56.32 H +ATOM 9022 HA3 GLY B 51 182.005 184.063 232.136 1.00 56.32 H +ATOM 9023 N PHE B 52 180.760 184.834 234.241 1.00 60.65 N +ATOM 9024 CA PHE B 52 180.137 185.543 235.353 1.00 57.80 C +ATOM 9025 C PHE B 52 180.911 186.781 235.802 1.00 65.39 C +ATOM 9026 O PHE B 52 180.328 187.698 236.377 1.00 63.24 O +ATOM 9027 CB PHE B 52 179.966 184.595 236.539 1.00 56.29 C +ATOM 9028 CG PHE B 52 178.979 183.491 236.292 1.00 55.75 C +ATOM 9029 CD1 PHE B 52 177.635 183.670 236.574 1.00 55.77 C +ATOM 9030 CD2 PHE B 52 179.393 182.277 235.772 1.00 56.77 C +ATOM 9031 CE1 PHE B 52 176.725 182.658 236.347 1.00 54.59 C +ATOM 9032 CE2 PHE B 52 178.485 181.262 235.543 1.00 56.80 C +ATOM 9033 CZ PHE B 52 177.150 181.454 235.831 1.00 53.29 C +ATOM 9034 H PHE B 52 181.305 184.213 234.481 1.00 72.78 H +ATOM 9035 HA PHE B 52 179.253 185.833 235.078 1.00 69.36 H +ATOM 9036 HB2 PHE B 52 180.823 184.187 236.740 1.00 67.55 H +ATOM 9037 HB3 PHE B 52 179.657 185.104 237.304 1.00 67.55 H +ATOM 9038 HD1 PHE B 52 177.343 184.481 236.923 1.00 66.92 H +ATOM 9039 HD2 PHE B 52 180.292 182.143 235.577 1.00 68.12 H +ATOM 9040 HE1 PHE B 52 175.825 182.789 236.541 1.00 65.51 H +ATOM 9041 HE2 PHE B 52 178.774 180.450 235.195 1.00 68.16 H +ATOM 9042 HZ PHE B 52 176.538 180.771 235.676 1.00 63.95 H +ATOM 9043 N ASP B 53 182.213 186.813 235.530 1.00 71.28 N +ATOM 9044 CA ASP B 53 183.086 187.845 236.092 1.00 74.81 C +ATOM 9045 C ASP B 53 183.768 188.733 235.049 1.00 63.64 C +ATOM 9046 O ASP B 53 184.533 189.628 235.406 1.00 72.36 O +ATOM 9047 CB ASP B 53 184.155 187.187 236.966 1.00 86.39 C +ATOM 9048 CG ASP B 53 185.068 186.264 236.180 1.00 89.11 C +ATOM 9049 OD1 ASP B 53 184.728 185.929 235.024 1.00 87.03 O +ATOM 9050 OD2 ASP B 53 186.123 185.870 236.720 1.00 93.70 O +ATOM 9051 H ASP B 53 182.618 186.248 235.023 1.00 85.53 H +ATOM 9052 HA ASP B 53 182.554 188.421 236.662 1.00 89.78 H +ATOM 9053 HB2 ASP B 53 184.703 187.878 237.370 1.00103.67 H +ATOM 9054 HB3 ASP B 53 183.720 186.662 237.656 1.00103.67 H +ATOM 9055 N GLN B 54 183.495 188.494 233.770 1.00 64.64 N +ATOM 9056 CA GLN B 54 184.129 189.260 232.700 1.00 69.79 C +ATOM 9057 C GLN B 54 183.126 189.849 231.719 1.00 52.38 C +ATOM 9058 O GLN B 54 181.978 189.416 231.646 1.00 44.88 O +ATOM 9059 CB GLN B 54 185.122 188.389 231.931 1.00 60.97 C +ATOM 9060 CG GLN B 54 186.378 188.050 232.698 1.00 55.98 C +ATOM 9061 CD GLN B 54 187.514 187.665 231.778 1.00 64.01 C +ATOM 9062 OE1 GLN B 54 187.905 186.500 231.705 1.00 69.47 O +ATOM 9063 NE2 GLN B 54 188.049 188.647 231.061 1.00 65.98 N +ATOM 9064 H GLN B 54 182.945 187.892 233.494 1.00 77.56 H +ATOM 9065 HA GLN B 54 184.624 189.995 233.094 1.00 83.75 H +ATOM 9066 HB2 GLN B 54 184.687 187.554 231.696 1.00 73.16 H +ATOM 9067 HB3 GLN B 54 185.388 188.857 231.124 1.00 73.16 H +ATOM 9068 HG2 GLN B 54 186.655 188.823 233.214 1.00 67.18 H +ATOM 9069 HG3 GLN B 54 186.199 187.301 233.288 1.00 67.18 H +ATOM 9070 HE21 GLN B 54 187.746 189.449 231.136 1.00 79.18 H +ATOM 9071 HE22 GLN B 54 188.698 188.482 230.522 1.00 79.18 H +ATOM 9072 N TYR B 55 183.583 190.846 230.969 1.00 46.87 N +ATOM 9073 CA TYR B 55 182.789 191.455 229.915 1.00 48.16 C +ATOM 9074 C TYR B 55 183.631 191.622 228.660 1.00 42.25 C +ATOM 9075 O TYR B 55 184.857 191.552 228.713 1.00 44.47 O +ATOM 9076 CB TYR B 55 182.231 192.813 230.358 1.00 42.38 C +ATOM 9077 CG TYR B 55 183.278 193.888 230.547 1.00 43.30 C +ATOM 9078 CD1 TYR B 55 183.858 194.111 231.787 1.00 50.50 C +ATOM 9079 CD2 TYR B 55 183.679 194.686 229.485 1.00 52.77 C +ATOM 9080 CE1 TYR B 55 184.813 195.094 231.964 1.00 40.76 C +ATOM 9081 CE2 TYR B 55 184.634 195.669 229.653 1.00 57.27 C +ATOM 9082 CZ TYR B 55 185.197 195.869 230.895 1.00 50.42 C +ATOM 9083 OH TYR B 55 186.145 196.846 231.070 1.00 51.82 O +ATOM 9084 H TYR B 55 184.365 191.192 231.055 1.00 56.25 H +ATOM 9085 HA TYR B 55 182.041 190.875 229.703 1.00 57.79 H +ATOM 9086 HB2 TYR B 55 181.605 193.126 229.686 1.00 50.86 H +ATOM 9087 HB3 TYR B 55 181.771 192.698 231.205 1.00 50.86 H +ATOM 9088 HD1 TYR B 55 183.601 193.588 232.512 1.00 60.60 H +ATOM 9089 HD2 TYR B 55 183.303 194.553 228.645 1.00 63.32 H +ATOM 9090 HE1 TYR B 55 185.194 195.230 232.802 1.00 48.91 H +ATOM 9091 HE2 TYR B 55 184.895 196.196 228.932 1.00 68.73 H +ATOM 9092 HH TYR B 55 186.286 197.242 230.342 1.00 62.18 H +ATOM 9093 N LYS B 56 182.959 191.832 227.535 1.00 50.12 N +ATOM 9094 CA LYS B 56 183.621 192.102 226.268 1.00 48.28 C +ATOM 9095 C LYS B 56 182.964 193.304 225.609 1.00 47.26 C +ATOM 9096 O LYS B 56 181.737 193.393 225.554 1.00 43.47 O +ATOM 9097 CB LYS B 56 183.556 190.880 225.348 1.00 49.83 C +ATOM 9098 CG LYS B 56 184.196 191.082 223.981 1.00 52.32 C +ATOM 9099 CD LYS B 56 185.672 191.425 224.097 1.00 60.32 C +ATOM 9100 CE LYS B 56 186.371 191.340 222.750 1.00 60.11 C +ATOM 9101 NZ LYS B 56 185.751 192.238 221.740 1.00 60.52 N +ATOM 9102 H LYS B 56 182.100 191.824 227.480 1.00 60.15 H +ATOM 9103 HA LYS B 56 184.554 192.313 226.431 1.00 57.93 H +ATOM 9104 HB2 LYS B 56 184.013 190.142 225.781 1.00 59.79 H +ATOM 9105 HB3 LYS B 56 182.625 190.649 225.206 1.00 59.79 H +ATOM 9106 HG2 LYS B 56 184.114 190.265 223.466 1.00 62.78 H +ATOM 9107 HG3 LYS B 56 183.750 191.813 223.524 1.00 62.78 H +ATOM 9108 HD2 LYS B 56 185.765 192.331 224.431 1.00 72.38 H +ATOM 9109 HD3 LYS B 56 186.100 190.798 224.701 1.00 72.38 H +ATOM 9110 HE2 LYS B 56 187.299 191.600 222.856 1.00 72.13 H +ATOM 9111 HE3 LYS B 56 186.315 190.430 222.419 1.00 72.13 H +ATOM 9112 HZ1 LYS B 56 186.182 192.165 220.964 1.00 72.63 H +ATOM 9113 HZ2 LYS B 56 184.898 192.016 221.619 1.00 72.63 H +ATOM 9114 HZ3 LYS B 56 185.794 193.082 222.017 1.00 72.63 H +ATOM 9115 N CYS B 57 183.783 194.232 225.125 1.00 39.95 N +ATOM 9116 CA CYS B 57 183.281 195.419 224.449 1.00 39.26 C +ATOM 9117 C CYS B 57 183.402 195.268 222.940 1.00 42.41 C +ATOM 9118 O CYS B 57 184.482 194.997 222.412 1.00 44.50 O +ATOM 9119 CB CYS B 57 184.032 196.668 224.906 1.00 40.98 C +ATOM 9120 SG CYS B 57 183.645 197.199 226.592 1.00 40.37 S +ATOM 9121 H CYS B 57 184.641 194.195 225.176 1.00 47.94 H +ATOM 9122 HA CYS B 57 182.343 195.535 224.666 1.00 47.11 H +ATOM 9123 HB2 CYS B 57 184.985 196.490 224.865 1.00 49.17 H +ATOM 9124 HB3 CYS B 57 183.811 197.400 224.309 1.00 49.17 H +ATOM 9125 N ASP B 58 182.278 195.438 222.257 1.00 37.33 N +ATOM 9126 CA ASP B 58 182.239 195.405 220.806 1.00 35.60 C +ATOM 9127 C ASP B 58 182.478 196.810 220.274 1.00 34.06 C +ATOM 9128 O ASP B 58 181.649 197.696 220.453 1.00 39.16 O +ATOM 9129 CB ASP B 58 180.898 194.861 220.322 1.00 40.44 C +ATOM 9130 CG ASP B 58 180.920 194.476 218.866 1.00 34.99 C +ATOM 9131 OD1 ASP B 58 181.863 194.881 218.154 1.00 37.45 O +ATOM 9132 OD2 ASP B 58 179.991 193.769 218.432 1.00 35.07 O +ATOM 9133 H ASP B 58 181.511 195.576 222.620 1.00 44.80 H +ATOM 9134 HA ASP B 58 182.944 194.826 220.475 1.00 42.72 H +ATOM 9135 HB2 ASP B 58 180.672 194.071 220.838 1.00 48.52 H +ATOM 9136 HB3 ASP B 58 180.219 195.543 220.442 1.00 48.52 H +ATOM 9137 N CYS B 59 183.621 197.007 219.626 1.00 36.52 N +ATOM 9138 CA CYS B 59 184.043 198.328 219.179 1.00 38.58 C +ATOM 9139 C CYS B 59 183.721 198.565 217.708 1.00 33.24 C +ATOM 9140 O CYS B 59 184.115 199.583 217.144 1.00 35.89 O +ATOM 9141 CB CYS B 59 185.546 198.506 219.417 1.00 43.88 C +ATOM 9142 SG CYS B 59 186.037 198.435 221.156 1.00 47.05 S +ATOM 9143 H CYS B 59 184.178 196.381 219.431 1.00 43.83 H +ATOM 9144 HA CYS B 59 183.576 199.000 219.699 1.00 46.29 H +ATOM 9145 HB2 CYS B 59 186.021 197.802 218.948 1.00 52.66 H +ATOM 9146 HB3 CYS B 59 185.816 199.371 219.070 1.00 52.66 H +ATOM 9147 N THR B 60 183.005 197.624 217.102 1.00 33.51 N +ATOM 9148 CA THR B 60 182.673 197.676 215.679 1.00 32.63 C +ATOM 9149 C THR B 60 182.123 199.033 215.238 1.00 28.18 C +ATOM 9150 O THR B 60 181.108 199.501 215.749 1.00 34.64 O +ATOM 9151 CB THR B 60 181.636 196.588 215.320 1.00 36.87 C +ATOM 9152 OG1 THR B 60 182.138 195.301 215.699 1.00 30.60 O +ATOM 9153 CG2 THR B 60 181.334 196.585 213.824 1.00 28.33 C +ATOM 9154 H THR B 60 182.693 196.929 217.501 1.00 40.21 H +ATOM 9155 HA THR B 60 183.476 197.501 215.165 1.00 39.15 H +ATOM 9156 HB THR B 60 180.810 196.763 215.797 1.00 44.24 H +ATOM 9157 HG1 THR B 60 182.282 195.281 216.526 1.00 36.72 H +ATOM 9158 HG21 THR B 60 180.682 195.896 213.619 1.00 34.00 H +ATOM 9159 HG22 THR B 60 180.977 197.446 213.556 1.00 34.00 H +ATOM 9160 HG23 THR B 60 182.145 196.410 213.322 1.00 34.00 H +ATOM 9161 N ARG B 61 182.815 199.648 214.284 1.00 33.40 N +ATOM 9162 CA ARG B 61 182.403 200.916 213.679 1.00 31.37 C +ATOM 9163 C ARG B 61 182.165 202.039 214.695 1.00 31.45 C +ATOM 9164 O ARG B 61 181.371 202.944 214.446 1.00 34.19 O +ATOM 9165 CB ARG B 61 181.140 200.703 212.836 1.00 29.09 C +ATOM 9166 CG ARG B 61 181.394 199.963 211.542 1.00 30.55 C +ATOM 9167 CD ARG B 61 180.134 199.840 210.709 1.00 26.72 C +ATOM 9168 NE ARG B 61 179.152 198.955 211.328 1.00 27.70 N +ATOM 9169 CZ ARG B 61 179.197 197.628 211.272 1.00 32.89 C +ATOM 9170 NH1 ARG B 61 178.257 196.907 211.867 1.00 29.34 N +ATOM 9171 NH2 ARG B 61 180.184 197.017 210.630 1.00 38.24 N +ATOM 9172 H ARG B 61 183.551 199.342 213.959 1.00 40.08 H +ATOM 9173 HA ARG B 61 183.106 201.211 213.080 1.00 37.64 H +ATOM 9174 HB2 ARG B 61 180.501 200.187 213.353 1.00 34.91 H +ATOM 9175 HB3 ARG B 61 180.762 201.569 212.615 1.00 34.91 H +ATOM 9176 HG2 ARG B 61 182.055 200.447 211.022 1.00 36.66 H +ATOM 9177 HG3 ARG B 61 181.714 199.070 211.742 1.00 36.66 H +ATOM 9178 HD2 ARG B 61 179.730 200.717 210.610 1.00 32.06 H +ATOM 9179 HD3 ARG B 61 180.361 199.477 209.839 1.00 32.06 H +ATOM 9180 HE ARG B 61 178.500 199.317 211.757 1.00 33.24 H +ATOM 9181 HH11 ARG B 61 177.616 197.298 212.286 1.00 35.20 H +ATOM 9182 HH12 ARG B 61 178.288 196.049 211.833 1.00 35.20 H +ATOM 9183 HH21 ARG B 61 180.796 197.480 210.243 1.00 45.88 H +ATOM 9184 HH22 ARG B 61 180.209 196.158 210.599 1.00 45.88 H +ATOM 9185 N THR B 62 182.861 201.992 215.827 1.00 35.11 N +ATOM 9186 CA THR B 62 182.795 203.075 216.806 1.00 31.06 C +ATOM 9187 C THR B 62 183.818 204.166 216.505 1.00 38.75 C +ATOM 9188 O THR B 62 183.673 205.303 216.955 1.00 35.92 O +ATOM 9189 CB THR B 62 183.040 202.571 218.240 1.00 37.61 C +ATOM 9190 OG1 THR B 62 184.337 201.965 218.327 1.00 38.32 O +ATOM 9191 CG2 THR B 62 181.972 201.565 218.649 1.00 39.63 C +ATOM 9192 H THR B 62 183.379 201.344 216.053 1.00 42.13 H +ATOM 9193 HA THR B 62 181.911 203.474 216.776 1.00 37.28 H +ATOM 9194 HB THR B 62 182.998 203.322 218.852 1.00 45.13 H +ATOM 9195 HG1 THR B 62 184.387 201.316 217.796 1.00 45.98 H +ATOM 9196 HG21 THR B 62 182.137 201.255 219.553 1.00 47.55 H +ATOM 9197 HG22 THR B 62 181.096 201.980 218.613 1.00 47.55 H +ATOM 9198 HG23 THR B 62 181.985 200.804 218.047 1.00 47.55 H +ATOM 9199 N GLY B 63 184.847 203.816 215.740 1.00 34.81 N +ATOM 9200 CA GLY B 63 185.964 204.712 215.499 1.00 43.08 C +ATOM 9201 C GLY B 63 187.018 204.573 216.581 1.00 40.95 C +ATOM 9202 O GLY B 63 188.001 205.314 216.600 1.00 44.38 O +ATOM 9203 H GLY B 63 184.920 203.055 215.346 1.00 41.77 H +ATOM 9204 HA2 GLY B 63 186.368 204.507 214.641 1.00 51.70 H +ATOM 9205 HA3 GLY B 63 185.650 205.629 215.485 1.00 51.70 H +ATOM 9206 N PHE B 64 186.809 203.618 217.482 1.00 36.17 N +ATOM 9207 CA PHE B 64 187.729 203.366 218.584 1.00 39.89 C +ATOM 9208 C PHE B 64 188.070 201.883 218.681 1.00 41.68 C +ATOM 9209 O PHE B 64 187.482 201.052 217.990 1.00 42.32 O +ATOM 9210 CB PHE B 64 187.124 203.841 219.908 1.00 37.87 C +ATOM 9211 CG PHE B 64 186.903 205.324 219.978 1.00 38.26 C +ATOM 9212 CD1 PHE B 64 185.785 205.899 219.400 1.00 40.48 C +ATOM 9213 CD2 PHE B 64 187.808 206.142 220.629 1.00 43.41 C +ATOM 9214 CE1 PHE B 64 185.580 207.266 219.466 1.00 43.41 C +ATOM 9215 CE2 PHE B 64 187.607 207.507 220.698 1.00 46.90 C +ATOM 9216 CZ PHE B 64 186.491 208.068 220.116 1.00 46.18 C +ATOM 9217 H PHE B 64 186.128 203.093 217.475 1.00 43.40 H +ATOM 9218 HA PHE B 64 188.551 203.857 218.433 1.00 47.87 H +ATOM 9219 HB2 PHE B 64 186.266 203.407 220.033 1.00 45.45 H +ATOM 9220 HB3 PHE B 64 187.724 203.597 220.630 1.00 45.45 H +ATOM 9221 HD1 PHE B 64 185.167 205.362 218.960 1.00 48.58 H +ATOM 9222 HD2 PHE B 64 188.563 205.768 221.023 1.00 52.09 H +ATOM 9223 HE1 PHE B 64 184.826 207.642 219.073 1.00 52.09 H +ATOM 9224 HE2 PHE B 64 188.224 208.046 221.137 1.00 56.27 H +ATOM 9225 HZ PHE B 64 186.354 208.987 220.161 1.00 55.41 H +ATOM 9226 N TYR B 65 189.029 201.566 219.542 1.00 39.29 N +ATOM 9227 CA TYR B 65 189.367 200.184 219.848 1.00 41.65 C +ATOM 9228 C TYR B 65 189.961 200.116 221.248 1.00 40.84 C +ATOM 9229 O TYR B 65 190.129 201.142 221.905 1.00 38.29 O +ATOM 9230 CB TYR B 65 190.341 199.608 218.817 1.00 38.04 C +ATOM 9231 CG TYR B 65 191.649 200.357 218.713 1.00 42.37 C +ATOM 9232 CD1 TYR B 65 191.796 201.408 217.821 1.00 45.62 C +ATOM 9233 CD2 TYR B 65 192.738 200.010 219.504 1.00 41.91 C +ATOM 9234 CE1 TYR B 65 192.986 202.095 217.720 1.00 58.44 C +ATOM 9235 CE2 TYR B 65 193.933 200.692 219.408 1.00 39.26 C +ATOM 9236 CZ TYR B 65 194.052 201.734 218.515 1.00 53.07 C +ATOM 9237 OH TYR B 65 195.237 202.419 218.412 1.00 54.18 O +ATOM 9238 H TYR B 65 189.505 202.143 219.967 1.00 47.14 H +ATOM 9239 HA TYR B 65 188.559 199.648 219.835 1.00 49.98 H +ATOM 9240 HB2 TYR B 65 190.545 198.692 219.060 1.00 45.65 H +ATOM 9241 HB3 TYR B 65 189.919 199.629 217.945 1.00 45.65 H +ATOM 9242 HD1 TYR B 65 191.079 201.655 217.283 1.00 54.74 H +ATOM 9243 HD2 TYR B 65 192.659 199.308 220.108 1.00 50.29 H +ATOM 9244 HE1 TYR B 65 193.070 202.798 217.118 1.00 70.13 H +ATOM 9245 HE2 TYR B 65 194.654 200.451 219.944 1.00 47.11 H +ATOM 9246 HH TYR B 65 195.800 202.101 218.948 1.00 65.02 H +ATOM 9247 N GLY B 66 190.274 198.905 221.694 1.00 35.88 N +ATOM 9248 CA GLY B 66 190.777 198.683 223.036 1.00 45.69 C +ATOM 9249 C GLY B 66 189.734 197.984 223.884 1.00 46.97 C +ATOM 9250 O GLY B 66 188.606 197.775 223.437 1.00 51.41 O +ATOM 9251 H GLY B 66 190.201 198.186 221.228 1.00 43.06 H +ATOM 9252 HA2 GLY B 66 191.574 198.131 223.002 1.00 54.83 H +ATOM 9253 HA3 GLY B 66 191.000 199.532 223.449 1.00 54.83 H +ATOM 9254 N GLU B 67 190.111 197.630 225.108 1.00 53.12 N +ATOM 9255 CA GLU B 67 189.235 196.880 226.003 1.00 58.80 C +ATOM 9256 C GLU B 67 187.895 197.577 226.221 1.00 57.82 C +ATOM 9257 O GLU B 67 186.865 196.919 226.354 1.00 49.14 O +ATOM 9258 CB GLU B 67 189.920 196.661 227.353 1.00 67.26 C +ATOM 9259 CG GLU B 67 189.085 195.868 228.349 1.00 76.03 C +ATOM 9260 CD GLU B 67 189.813 195.614 229.652 1.00 81.19 C +ATOM 9261 OE1 GLU B 67 190.766 196.361 229.957 1.00 85.06 O +ATOM 9262 OE2 GLU B 67 189.434 194.666 230.370 1.00 82.46 O +ATOM 9263 H GLU B 67 190.879 197.814 225.448 1.00 63.74 H +ATOM 9264 HA GLU B 67 189.059 196.010 225.613 1.00 70.56 H +ATOM 9265 HB2 GLU B 67 190.747 196.175 227.208 1.00 80.72 H +ATOM 9266 HB3 GLU B 67 190.112 197.525 227.749 1.00 80.72 H +ATOM 9267 HG2 GLU B 67 188.276 196.365 228.550 1.00 91.24 H +ATOM 9268 HG3 GLU B 67 188.859 195.009 227.960 1.00 91.24 H +ATOM 9269 N ASN B 68 187.918 198.905 226.251 1.00 65.57 N +ATOM 9270 CA ASN B 68 186.730 199.698 226.555 1.00 57.70 C +ATOM 9271 C ASN B 68 186.350 200.652 225.423 1.00 45.09 C +ATOM 9272 O ASN B 68 185.538 201.555 225.617 1.00 43.27 O +ATOM 9273 CB ASN B 68 186.954 200.488 227.845 1.00 56.00 C +ATOM 9274 CG ASN B 68 187.280 199.594 229.026 1.00 77.64 C +ATOM 9275 OD1 ASN B 68 186.686 198.529 229.196 1.00 72.66 O +ATOM 9276 ND2 ASN B 68 188.231 200.021 229.850 1.00107.67 N +ATOM 9277 H ASN B 68 188.619 199.378 226.097 1.00 78.68 H +ATOM 9278 HA ASN B 68 185.982 199.098 226.700 1.00 69.24 H +ATOM 9279 HB2 ASN B 68 187.696 201.100 227.717 1.00 67.19 H +ATOM 9280 HB3 ASN B 68 186.148 200.984 228.057 1.00 67.19 H +ATOM 9281 HD21 ASN B 68 188.622 200.771 229.699 1.00129.20 H +ATOM 9282 N CYS B 69 186.929 200.438 224.245 1.00 45.56 N +ATOM 9283 CA CYS B 69 186.671 201.295 223.088 1.00 43.77 C +ATOM 9284 C CYS B 69 186.982 202.759 223.391 1.00 43.85 C +ATOM 9285 O CYS B 69 186.203 203.643 223.043 1.00 46.88 O +ATOM 9286 CB CYS B 69 185.211 201.167 222.632 1.00 47.87 C +ATOM 9287 SG CYS B 69 184.683 199.488 222.246 1.00 54.95 S +ATOM 9288 H CYS B 69 187.481 199.798 224.087 1.00 54.67 H +ATOM 9289 HA CYS B 69 187.239 201.014 222.354 1.00 52.52 H +ATOM 9290 HB2 CYS B 69 184.636 201.499 223.339 1.00 57.44 H +ATOM 9291 HB3 CYS B 69 185.088 201.704 221.833 1.00 57.44 H +ATOM 9292 N SER B 70 188.119 203.011 224.035 1.00 47.15 N +ATOM 9293 CA SER B 70 188.482 204.362 224.453 1.00 43.39 C +ATOM 9294 C SER B 70 189.714 204.898 223.722 1.00 44.37 C +ATOM 9295 O SER B 70 190.047 206.076 223.849 1.00 46.89 O +ATOM 9296 CB SER B 70 188.722 204.399 225.965 1.00 34.38 C +ATOM 9297 OG SER B 70 189.727 203.479 226.350 1.00 60.52 O +ATOM 9298 H SER B 70 188.700 202.413 224.243 1.00 56.58 H +ATOM 9299 HA SER B 70 187.742 204.958 224.258 1.00 52.06 H +ATOM 9300 HB2 SER B 70 189.000 205.293 226.217 1.00 41.26 H +ATOM 9301 HB3 SER B 70 187.896 204.170 226.419 1.00 41.26 H +ATOM 9302 HG SER B 70 189.845 203.513 227.181 1.00 72.63 H +ATOM 9303 N THR B 71 190.384 204.044 222.954 1.00 45.39 N +ATOM 9304 CA THR B 71 191.519 204.478 222.144 1.00 47.53 C +ATOM 9305 C THR B 71 191.036 204.863 220.744 1.00 40.92 C +ATOM 9306 O THR B 71 190.429 204.046 220.055 1.00 43.89 O +ATOM 9307 CB THR B 71 192.594 203.386 222.023 1.00 45.96 C +ATOM 9308 OG1 THR B 71 192.970 202.939 223.331 1.00 49.90 O +ATOM 9309 CG2 THR B 71 193.828 203.923 221.296 1.00 42.09 C +ATOM 9310 H THR B 71 190.202 203.206 222.884 1.00 54.47 H +ATOM 9311 HA THR B 71 191.924 205.260 222.552 1.00 57.03 H +ATOM 9312 HB THR B 71 192.240 202.639 221.515 1.00 55.15 H +ATOM 9313 HG1 THR B 71 192.301 202.625 223.730 1.00 59.88 H +ATOM 9314 HG21 THR B 71 194.500 203.227 221.225 1.00 50.51 H +ATOM 9315 HG22 THR B 71 193.585 204.219 220.405 1.00 50.51 H +ATOM 9316 HG23 THR B 71 194.201 204.673 221.787 1.00 50.51 H +ATOM 9317 N PRO B 72 191.302 206.108 220.311 1.00 37.00 N +ATOM 9318 CA PRO B 72 190.806 206.529 218.997 1.00 46.37 C +ATOM 9319 C PRO B 72 191.676 206.058 217.838 1.00 49.71 C +ATOM 9320 O PRO B 72 192.898 206.010 217.961 1.00 57.40 O +ATOM 9321 CB PRO B 72 190.834 208.053 219.097 1.00 49.33 C +ATOM 9322 CG PRO B 72 191.976 208.330 220.009 1.00 44.22 C +ATOM 9323 CD PRO B 72 191.997 207.205 221.009 1.00 42.68 C +ATOM 9324 HA PRO B 72 189.894 206.228 218.863 1.00 55.64 H +ATOM 9325 HB2 PRO B 72 190.988 208.439 218.221 1.00 59.20 H +ATOM 9326 HB3 PRO B 72 190.001 208.374 219.477 1.00 59.20 H +ATOM 9327 HG2 PRO B 72 192.801 208.346 219.499 1.00 53.07 H +ATOM 9328 HG3 PRO B 72 191.836 209.179 220.456 1.00 53.07 H +ATOM 9329 HD2 PRO B 72 192.910 206.950 221.213 1.00 51.22 H +ATOM 9330 HD3 PRO B 72 191.511 207.456 221.810 1.00 51.22 H +ATOM 9331 N GLU B 73 191.041 205.712 216.724 1.00 48.18 N +ATOM 9332 CA GLU B 73 191.759 205.472 215.481 1.00 41.01 C +ATOM 9333 C GLU B 73 192.201 206.828 214.950 1.00 48.56 C +ATOM 9334 O GLU B 73 191.782 207.861 215.472 1.00 49.63 O +ATOM 9335 CB GLU B 73 190.878 204.734 214.478 1.00 44.85 C +ATOM 9336 CG GLU B 73 190.439 203.358 214.962 1.00 48.21 C +ATOM 9337 CD GLU B 73 189.262 202.801 214.187 1.00 53.05 C +ATOM 9338 OE1 GLU B 73 188.626 203.561 213.427 1.00 50.20 O +ATOM 9339 OE2 GLU B 73 188.971 201.597 214.341 1.00 58.08 O +ATOM 9340 H GLU B 73 190.190 205.610 216.662 1.00 57.82 H +ATOM 9341 HA GLU B 73 192.547 204.935 215.657 1.00 49.21 H +ATOM 9342 HB2 GLU B 73 190.080 205.261 214.313 1.00 53.82 H +ATOM 9343 HB3 GLU B 73 191.373 204.616 213.652 1.00 53.82 H +ATOM 9344 HG2 GLU B 73 191.180 202.739 214.865 1.00 57.86 H +ATOM 9345 HG3 GLU B 73 190.179 203.420 215.894 1.00 57.86 H +ATOM 9346 N PHE B 74 193.036 206.843 213.917 1.00 48.46 N +ATOM 9347 CA PHE B 74 193.694 208.086 213.530 1.00 65.49 C +ATOM 9348 C PHE B 74 192.731 209.142 212.989 1.00 51.87 C +ATOM 9349 O PHE B 74 192.859 210.318 213.319 1.00 49.43 O +ATOM 9350 CB PHE B 74 194.786 207.824 212.494 1.00 68.85 C +ATOM 9351 CG PHE B 74 195.756 208.960 212.357 1.00 74.85 C +ATOM 9352 CD1 PHE B 74 196.688 209.207 213.351 1.00 76.62 C +ATOM 9353 CD2 PHE B 74 195.725 209.793 211.254 1.00 77.17 C +ATOM 9354 CE1 PHE B 74 197.576 210.253 213.242 1.00 83.51 C +ATOM 9355 CE2 PHE B 74 196.616 210.844 211.140 1.00 85.08 C +ATOM 9356 CZ PHE B 74 197.541 211.073 212.135 1.00 86.24 C +ATOM 9357 H PHE B 74 193.235 206.162 213.432 1.00 58.15 H +ATOM 9358 HA PHE B 74 194.123 208.461 214.315 1.00 78.59 H +ATOM 9359 HB2 PHE B 74 195.285 207.035 212.756 1.00 82.62 H +ATOM 9360 HB3 PHE B 74 194.371 207.680 211.629 1.00 82.62 H +ATOM 9361 HD1 PHE B 74 196.716 208.657 214.100 1.00 91.95 H +ATOM 9362 HD2 PHE B 74 195.102 209.642 210.580 1.00 92.60 H +ATOM 9363 HE1 PHE B 74 198.200 210.406 213.914 1.00100.21 H +ATOM 9364 HE2 PHE B 74 196.590 211.396 210.392 1.00102.10 H +ATOM 9365 HZ PHE B 74 198.142 211.779 212.060 1.00103.49 H +ATOM 9366 N LEU B 75 191.778 208.736 212.157 1.00 51.21 N +ATOM 9367 CA LEU B 75 190.837 209.692 211.582 1.00 47.09 C +ATOM 9368 C LEU B 75 189.865 210.189 212.640 1.00 48.27 C +ATOM 9369 O LEU B 75 189.334 211.294 212.537 1.00 51.74 O +ATOM 9370 CB LEU B 75 190.074 209.074 210.412 1.00 48.74 C +ATOM 9371 CG LEU B 75 190.904 208.626 209.203 1.00 78.51 C +ATOM 9372 CD1 LEU B 75 190.022 208.595 207.965 1.00 60.21 C +ATOM 9373 CD2 LEU B 75 192.127 209.513 208.971 1.00 67.18 C +ATOM 9374 H LEU B 75 191.655 207.921 211.911 1.00 61.45 H +ATOM 9375 HA LEU B 75 191.331 210.457 211.247 1.00 56.51 H +ATOM 9376 HB2 LEU B 75 189.600 208.294 210.739 1.00 58.48 H +ATOM 9377 HB3 LEU B 75 189.432 209.727 210.091 1.00 58.48 H +ATOM 9378 HG LEU B 75 191.221 207.723 209.362 1.00 94.21 H +ATOM 9379 HD11 LEU B 75 190.555 208.311 207.206 1.00 72.25 H +ATOM 9380 HD12 LEU B 75 189.295 207.971 208.112 1.00 72.25 H +ATOM 9381 HD13 LEU B 75 189.669 209.485 207.807 1.00 72.25 H +ATOM 9382 HD21 LEU B 75 192.613 209.184 208.198 1.00 80.62 H +ATOM 9383 HD22 LEU B 75 191.832 210.423 208.814 1.00 80.62 H +ATOM 9384 HD23 LEU B 75 192.695 209.479 209.757 1.00 80.62 H +ATOM 9385 N THR B 76 189.633 209.367 213.655 1.00 40.69 N +ATOM 9386 CA THR B 76 188.827 209.785 214.789 1.00 49.30 C +ATOM 9387 C THR B 76 189.539 210.928 215.508 1.00 52.92 C +ATOM 9388 O THR B 76 188.918 211.928 215.863 1.00 40.70 O +ATOM 9389 CB THR B 76 188.572 208.622 215.762 1.00 44.43 C +ATOM 9390 OG1 THR B 76 188.059 207.499 215.037 1.00 47.48 O +ATOM 9391 CG2 THR B 76 187.580 209.021 216.838 1.00 42.41 C +ATOM 9392 H THR B 76 189.932 208.562 213.710 1.00 48.83 H +ATOM 9393 HA THR B 76 187.971 210.111 214.471 1.00 59.16 H +ATOM 9394 HB THR B 76 189.406 208.373 216.191 1.00 53.31 H +ATOM 9395 HG1 THR B 76 187.917 206.859 215.562 1.00 56.97 H +ATOM 9396 HG21 THR B 76 187.430 208.278 217.443 1.00 50.89 H +ATOM 9397 HG22 THR B 76 187.924 209.774 217.343 1.00 50.89 H +ATOM 9398 HG23 THR B 76 186.736 209.273 216.432 1.00 50.89 H +ATOM 9399 N ARG B 77 190.849 210.783 215.701 1.00 56.02 N +ATOM 9400 CA ARG B 77 191.653 211.817 216.352 1.00 51.57 C +ATOM 9401 C ARG B 77 191.600 213.134 215.591 1.00 41.12 C +ATOM 9402 O ARG B 77 191.515 214.202 216.194 1.00 47.77 O +ATOM 9403 CB ARG B 77 193.109 211.375 216.484 1.00 46.39 C +ATOM 9404 CG ARG B 77 193.333 210.212 217.424 1.00 56.30 C +ATOM 9405 CD ARG B 77 194.813 209.961 217.616 1.00 63.68 C +ATOM 9406 NE ARG B 77 195.453 211.038 218.363 1.00 67.19 N +ATOM 9407 CZ ARG B 77 196.768 211.189 218.483 1.00 68.15 C +ATOM 9408 NH1 ARG B 77 197.257 212.200 219.186 1.00 56.17 N +ATOM 9409 NH2 ARG B 77 197.595 210.333 217.896 1.00 55.41 N +ATOM 9410 H ARG B 77 191.299 210.090 215.462 1.00 67.22 H +ATOM 9411 HA ARG B 77 191.304 211.972 217.243 1.00 61.88 H +ATOM 9412 HB2 ARG B 77 193.434 211.112 215.609 1.00 55.67 H +ATOM 9413 HB3 ARG B 77 193.631 212.123 216.815 1.00 55.67 H +ATOM 9414 HG2 ARG B 77 192.941 210.414 218.288 1.00 67.56 H +ATOM 9415 HG3 ARG B 77 192.931 209.412 217.049 1.00 67.56 H +ATOM 9416 HD2 ARG B 77 194.936 209.135 218.110 1.00 76.41 H +ATOM 9417 HD3 ARG B 77 195.241 209.898 216.747 1.00 76.41 H +ATOM 9418 HE ARG B 77 194.946 211.613 218.752 1.00 80.63 H +ATOM 9419 HH11 ARG B 77 196.723 212.757 219.566 1.00 67.40 H +ATOM 9420 HH12 ARG B 77 198.108 212.300 219.262 1.00 67.40 H +ATOM 9421 HH21 ARG B 77 197.280 209.675 217.440 1.00 66.49 H +ATOM 9422 HH22 ARG B 77 198.445 210.434 217.975 1.00 66.49 H +ATOM 9423 N ILE B 78 191.664 213.052 214.266 1.00 43.91 N +ATOM 9424 CA ILE B 78 191.570 214.238 213.426 1.00 44.02 C +ATOM 9425 C ILE B 78 190.182 214.855 213.543 1.00 47.40 C +ATOM 9426 O ILE B 78 190.051 216.070 213.675 1.00 48.51 O +ATOM 9427 CB ILE B 78 191.872 213.914 211.952 1.00 47.21 C +ATOM 9428 CG1 ILE B 78 193.307 213.397 211.818 1.00 61.97 C +ATOM 9429 CG2 ILE B 78 191.666 215.153 211.074 1.00 49.40 C +ATOM 9430 CD1 ILE B 78 193.690 212.963 210.419 1.00 61.26 C +ATOM 9431 H ILE B 78 191.762 212.319 213.829 1.00 52.69 H +ATOM 9432 HA ILE B 78 192.218 214.894 213.729 1.00 52.82 H +ATOM 9433 HB ILE B 78 191.263 213.220 211.656 1.00 56.65 H +ATOM 9434 HG12 ILE B 78 193.917 214.102 212.084 1.00 74.36 H +ATOM 9435 HG13 ILE B 78 193.417 212.632 212.403 1.00 74.36 H +ATOM 9436 HG21 ILE B 78 191.862 214.922 210.152 1.00 59.28 H +ATOM 9437 HG22 ILE B 78 190.745 215.447 211.153 1.00 59.28 H +ATOM 9438 HG23 ILE B 78 192.265 215.855 211.374 1.00 59.28 H +ATOM 9439 HD11 ILE B 78 194.609 212.652 210.426 1.00 73.51 H +ATOM 9440 HD12 ILE B 78 193.100 212.246 210.138 1.00 73.51 H +ATOM 9441 HD13 ILE B 78 193.600 213.720 209.819 1.00 73.51 H +ATOM 9442 N LYS B 79 189.154 214.014 213.487 1.00 45.95 N +ATOM 9443 CA LYS B 79 187.781 214.479 213.640 1.00 44.82 C +ATOM 9444 C LYS B 79 187.599 215.216 214.960 1.00 49.39 C +ATOM 9445 O LYS B 79 187.042 216.313 214.999 1.00 46.20 O +ATOM 9446 CB LYS B 79 186.799 213.309 213.565 1.00 52.27 C +ATOM 9447 CG LYS B 79 186.413 212.900 212.150 1.00 59.45 C +ATOM 9448 CD LYS B 79 185.304 211.852 212.144 1.00 68.89 C +ATOM 9449 CE LYS B 79 183.983 212.416 212.662 1.00110.17 C +ATOM 9450 NZ LYS B 79 182.877 211.421 212.612 1.00 78.01 N +ATOM 9451 H LYS B 79 189.226 213.167 213.361 1.00 55.14 H +ATOM 9452 HA LYS B 79 187.573 215.095 212.920 1.00 53.78 H +ATOM 9453 HB2 LYS B 79 187.201 212.538 213.995 1.00 62.72 H +ATOM 9454 HB3 LYS B 79 185.985 213.557 214.032 1.00 62.72 H +ATOM 9455 HG2 LYS B 79 186.096 213.680 211.668 1.00 71.34 H +ATOM 9456 HG3 LYS B 79 187.188 212.523 211.704 1.00 71.34 H +ATOM 9457 HD2 LYS B 79 185.165 211.541 211.235 1.00 82.67 H +ATOM 9458 HD3 LYS B 79 185.562 211.112 212.715 1.00 82.67 H +ATOM 9459 HE2 LYS B 79 184.097 212.692 213.584 1.00132.20 H +ATOM 9460 HE3 LYS B 79 183.728 213.176 212.116 1.00132.20 H +ATOM 9461 HZ1 LYS B 79 182.127 211.785 212.921 1.00 93.61 H +ATOM 9462 HZ2 LYS B 79 182.746 211.154 211.773 1.00 93.61 H +ATOM 9463 HZ3 LYS B 79 183.082 210.713 213.112 1.00 93.61 H +ATOM 9464 N LEU B 80 188.075 214.609 216.041 1.00 45.39 N +ATOM 9465 CA LEU B 80 187.912 215.179 217.371 1.00 55.43 C +ATOM 9466 C LEU B 80 188.691 216.478 217.518 1.00 56.50 C +ATOM 9467 O LEU B 80 188.231 217.411 218.175 1.00 61.62 O +ATOM 9468 CB LEU B 80 188.351 214.177 218.441 1.00 53.16 C +ATOM 9469 CG LEU B 80 187.496 212.912 218.568 1.00 47.98 C +ATOM 9470 CD1 LEU B 80 188.065 211.990 219.631 1.00 52.83 C +ATOM 9471 CD2 LEU B 80 186.049 213.254 218.879 1.00 86.47 C +ATOM 9472 H LEU B 80 188.498 213.860 216.030 1.00 54.47 H +ATOM 9473 HA LEU B 80 186.973 215.377 217.515 1.00 66.52 H +ATOM 9474 HB2 LEU B 80 189.257 213.894 218.240 1.00 63.79 H +ATOM 9475 HB3 LEU B 80 188.337 214.624 219.301 1.00 63.79 H +ATOM 9476 HG LEU B 80 187.513 212.436 217.723 1.00 57.57 H +ATOM 9477 HD11 LEU B 80 187.508 211.198 219.693 1.00 63.40 H +ATOM 9478 HD12 LEU B 80 188.968 211.740 219.381 1.00 63.40 H +ATOM 9479 HD13 LEU B 80 188.074 212.456 220.482 1.00 63.40 H +ATOM 9480 HD21 LEU B 80 185.540 212.432 218.952 1.00103.76 H +ATOM 9481 HD22 LEU B 80 186.014 213.742 219.716 1.00103.76 H +ATOM 9482 HD23 LEU B 80 185.694 213.801 218.161 1.00103.76 H +ATOM 9483 N PHE B 81 189.866 216.541 216.904 1.00 49.29 N +ATOM 9484 CA PHE B 81 190.689 217.741 216.980 1.00 61.07 C +ATOM 9485 C PHE B 81 190.023 218.915 216.269 1.00 50.65 C +ATOM 9486 O PHE B 81 190.116 220.054 216.720 1.00 47.47 O +ATOM 9487 CB PHE B 81 192.074 217.487 216.380 1.00 67.79 C +ATOM 9488 CG PHE B 81 192.950 218.709 216.346 1.00 68.55 C +ATOM 9489 CD1 PHE B 81 193.417 219.275 217.520 1.00 58.46 C +ATOM 9490 CD2 PHE B 81 193.302 219.293 215.141 1.00 62.31 C +ATOM 9491 CE1 PHE B 81 194.216 220.400 217.493 1.00 80.64 C +ATOM 9492 CE2 PHE B 81 194.103 220.419 215.110 1.00 70.47 C +ATOM 9493 CZ PHE B 81 194.560 220.971 216.288 1.00 84.71 C +ATOM 9494 H PHE B 81 190.210 215.905 216.439 1.00 59.14 H +ATOM 9495 HA PHE B 81 190.806 217.984 217.911 1.00 73.29 H +ATOM 9496 HB2 PHE B 81 192.526 216.812 216.912 1.00 81.35 H +ATOM 9497 HB3 PHE B 81 191.968 217.171 215.469 1.00 81.35 H +ATOM 9498 HD1 PHE B 81 193.187 218.894 218.337 1.00 70.15 H +ATOM 9499 HD2 PHE B 81 192.995 218.925 214.344 1.00 74.77 H +ATOM 9500 HE1 PHE B 81 194.524 220.771 218.288 1.00 96.77 H +ATOM 9501 HE2 PHE B 81 194.334 220.803 214.296 1.00 84.56 H +ATOM 9502 HZ PHE B 81 195.100 221.728 216.269 1.00101.65 H +ATOM 9503 N LEU B 82 189.346 218.633 215.161 1.00 46.63 N +ATOM 9504 CA LEU B 82 188.741 219.681 214.342 1.00 51.09 C +ATOM 9505 C LEU B 82 187.338 220.072 214.800 1.00 53.77 C +ATOM 9506 O LEU B 82 186.895 221.192 214.548 1.00 55.92 O +ATOM 9507 CB LEU B 82 188.686 219.241 212.876 1.00 46.50 C +ATOM 9508 CG LEU B 82 190.024 219.004 212.165 1.00 51.79 C +ATOM 9509 CD1 LEU B 82 189.781 218.668 210.704 1.00 50.09 C +ATOM 9510 CD2 LEU B 82 190.946 220.206 212.288 1.00 54.03 C +ATOM 9511 H LEU B 82 189.221 217.838 214.859 1.00 55.96 H +ATOM 9512 HA LEU B 82 189.298 220.474 214.392 1.00 61.31 H +ATOM 9513 HB2 LEU B 82 188.188 218.410 212.830 1.00 55.80 H +ATOM 9514 HB3 LEU B 82 188.214 219.923 212.375 1.00 55.80 H +ATOM 9515 HG LEU B 82 190.467 218.246 212.575 1.00 62.15 H +ATOM 9516 HD11 LEU B 82 190.636 218.521 210.268 1.00 60.10 H +ATOM 9517 HD12 LEU B 82 189.240 217.865 210.650 1.00 60.10 H +ATOM 9518 HD13 LEU B 82 189.318 219.408 210.282 1.00 60.10 H +ATOM 9519 HD21 LEU B 82 191.777 220.015 211.825 1.00 64.83 H +ATOM 9520 HD22 LEU B 82 190.514 220.977 211.887 1.00 64.83 H +ATOM 9521 HD23 LEU B 82 191.120 220.375 213.227 1.00 64.83 H +ATOM 9522 N LYS B 83 186.642 219.159 215.467 1.00 53.05 N +ATOM 9523 CA LYS B 83 185.248 219.390 215.837 1.00 43.33 C +ATOM 9524 C LYS B 83 185.097 220.499 216.883 1.00 43.11 C +ATOM 9525 O LYS B 83 185.599 220.371 217.997 1.00 42.30 O +ATOM 9526 CB LYS B 83 184.616 218.103 216.367 1.00 54.55 C +ATOM 9527 CG LYS B 83 183.712 217.411 215.357 1.00 76.75 C +ATOM 9528 CD LYS B 83 183.171 216.092 215.888 1.00 95.68 C +ATOM 9529 CE LYS B 83 182.300 215.397 214.853 1.00107.80 C +ATOM 9530 NZ LYS B 83 181.935 214.010 215.254 1.00110.25 N +ATOM 9531 H LYS B 83 186.952 218.397 215.717 1.00 63.65 H +ATOM 9532 HA LYS B 83 184.756 219.660 215.046 1.00 51.99 H +ATOM 9533 HB2 LYS B 83 185.321 217.483 216.609 1.00 65.47 H +ATOM 9534 HB3 LYS B 83 184.081 218.315 217.148 1.00 65.47 H +ATOM 9535 HG2 LYS B 83 182.959 217.987 215.155 1.00 92.10 H +ATOM 9536 HG3 LYS B 83 184.219 217.227 214.550 1.00 92.10 H +ATOM 9537 HD2 LYS B 83 183.912 215.505 216.106 1.00114.82 H +ATOM 9538 HD3 LYS B 83 182.631 216.261 216.676 1.00114.82 H +ATOM 9539 HE2 LYS B 83 181.481 215.902 214.737 1.00129.36 H +ATOM 9540 HE3 LYS B 83 182.783 215.349 214.013 1.00129.36 H +ATOM 9541 HZ1 LYS B 83 181.427 213.636 214.626 1.00132.30 H +ATOM 9542 HZ2 LYS B 83 182.671 213.521 215.361 1.00132.30 H +ATOM 9543 HZ3 LYS B 83 181.483 214.025 216.021 1.00132.30 H +ATOM 9544 N PRO B 84 184.400 221.597 216.531 1.00 40.59 N +ATOM 9545 CA PRO B 84 184.106 222.619 217.542 1.00 38.31 C +ATOM 9546 C PRO B 84 183.080 222.128 218.556 1.00 36.82 C +ATOM 9547 O PRO B 84 182.285 221.247 218.236 1.00 36.12 O +ATOM 9548 CB PRO B 84 183.551 223.779 216.714 1.00 38.99 C +ATOM 9549 CG PRO B 84 182.984 223.131 215.507 1.00 40.02 C +ATOM 9550 CD PRO B 84 183.876 221.974 215.207 1.00 33.70 C +ATOM 9551 HA PRO B 84 184.915 222.898 217.998 1.00 45.97 H +ATOM 9552 HB2 PRO B 84 182.860 224.240 217.215 1.00 46.79 H +ATOM 9553 HB3 PRO B 84 184.269 224.386 216.476 1.00 46.79 H +ATOM 9554 HG2 PRO B 84 182.083 222.827 215.695 1.00 48.03 H +ATOM 9555 HG3 PRO B 84 182.985 223.762 214.770 1.00 48.03 H +ATOM 9556 HD2 PRO B 84 183.365 221.243 214.825 1.00 40.44 H +ATOM 9557 HD3 PRO B 84 184.600 222.247 214.621 1.00 40.44 H +ATOM 9558 N THR B 85 183.102 222.688 219.759 1.00 40.57 N +ATOM 9559 CA THR B 85 182.174 222.271 220.801 1.00 38.25 C +ATOM 9560 C THR B 85 180.769 222.781 220.470 1.00 49.68 C +ATOM 9561 O THR B 85 180.626 223.811 219.819 1.00 49.54 O +ATOM 9562 CB THR B 85 182.630 222.780 222.194 1.00 48.43 C +ATOM 9563 OG1 THR B 85 181.961 222.043 223.223 1.00 86.12 O +ATOM 9564 CG2 THR B 85 182.345 224.265 222.371 1.00 49.97 C +ATOM 9565 H THR B 85 183.644 223.312 219.997 1.00 48.69 H +ATOM 9566 HA THR B 85 182.143 221.302 220.830 1.00 45.91 H +ATOM 9567 HB THR B 85 183.586 222.646 222.282 1.00 58.12 H +ATOM 9568 HG1 THR B 85 181.130 222.142 223.153 1.00103.35 H +ATOM 9569 HG21 THR B 85 182.639 224.557 223.248 1.00 59.97 H +ATOM 9570 HG22 THR B 85 182.817 224.776 221.694 1.00 59.97 H +ATOM 9571 HG23 THR B 85 181.394 224.433 222.285 1.00 59.97 H +ATOM 9572 N PRO B 86 179.721 222.053 220.897 1.00 55.28 N +ATOM 9573 CA PRO B 86 178.356 222.508 220.598 1.00 54.25 C +ATOM 9574 C PRO B 86 178.045 223.920 221.099 1.00 37.58 C +ATOM 9575 O PRO B 86 177.270 224.630 220.462 1.00 35.40 O +ATOM 9576 CB PRO B 86 177.484 221.473 221.312 1.00 44.37 C +ATOM 9577 CG PRO B 86 178.317 220.245 221.335 1.00 51.31 C +ATOM 9578 CD PRO B 86 179.726 220.715 221.518 1.00 48.64 C +ATOM 9579 HA PRO B 86 178.189 222.463 219.643 1.00 65.10 H +ATOM 9580 HB2 PRO B 86 177.287 221.774 222.213 1.00 53.24 H +ATOM 9581 HB3 PRO B 86 176.667 221.328 220.809 1.00 53.24 H +ATOM 9582 HG2 PRO B 86 178.046 219.682 222.076 1.00 61.58 H +ATOM 9583 HG3 PRO B 86 178.222 219.772 220.493 1.00 61.58 H +ATOM 9584 HD2 PRO B 86 179.940 220.781 222.462 1.00 58.36 H +ATOM 9585 HD3 PRO B 86 180.342 220.128 221.053 1.00 58.36 H +ATOM 9586 N ASN B 87 178.637 224.324 222.216 1.00 42.53 N +ATOM 9587 CA ASN B 87 178.432 225.673 222.728 1.00 49.66 C +ATOM 9588 C ASN B 87 179.050 226.729 221.813 1.00 44.64 C +ATOM 9589 O ASN B 87 178.607 227.877 221.794 1.00 43.50 O +ATOM 9590 CB ASN B 87 179.009 225.807 224.138 1.00 41.96 C +ATOM 9591 CG ASN B 87 178.193 225.058 225.181 1.00 50.10 C +ATOM 9592 OD1 ASN B 87 177.011 224.771 224.980 1.00 46.33 O +ATOM 9593 ND2 ASN B 87 178.823 224.747 226.307 1.00 61.45 N +ATOM 9594 H ASN B 87 179.161 223.838 222.695 1.00 51.04 H +ATOM 9595 HA ASN B 87 177.479 225.847 222.780 1.00 59.60 H +ATOM 9596 HB2 ASN B 87 179.910 225.447 224.147 1.00 50.36 H +ATOM 9597 HB3 ASN B 87 179.024 226.745 224.386 1.00 50.36 H +ATOM 9598 HD21 ASN B 87 178.407 224.323 226.929 1.00 73.74 H +ATOM 9599 HD22 ASN B 87 179.647 224.968 226.415 1.00 73.74 H +ATOM 9600 N THR B 88 180.069 226.331 221.058 1.00 44.07 N +ATOM 9601 CA THR B 88 180.723 227.221 220.104 1.00 46.42 C +ATOM 9602 C THR B 88 179.849 227.353 218.870 1.00 42.23 C +ATOM 9603 O THR B 88 179.610 228.456 218.380 1.00 48.00 O +ATOM 9604 CB THR B 88 182.130 226.700 219.713 1.00 43.24 C +ATOM 9605 OG1 THR B 88 183.055 227.007 220.761 1.00 45.07 O +ATOM 9606 CG2 THR B 88 182.632 227.335 218.415 1.00 36.23 C +ATOM 9607 H THR B 88 180.405 225.539 221.080 1.00 52.89 H +ATOM 9608 HA THR B 88 180.823 228.099 220.503 1.00 55.70 H +ATOM 9609 HB THR B 88 182.093 225.739 219.588 1.00 51.88 H +ATOM 9610 HG1 THR B 88 183.821 226.729 220.558 1.00 54.08 H +ATOM 9611 HG21 THR B 88 183.512 226.990 218.197 1.00 43.47 H +ATOM 9612 HG22 THR B 88 182.024 227.129 217.688 1.00 43.47 H +ATOM 9613 HG23 THR B 88 182.687 228.298 218.517 1.00 43.47 H +ATOM 9614 N VAL B 89 179.377 226.214 218.373 1.00 41.55 N +ATOM 9615 CA VAL B 89 178.468 226.185 217.236 1.00 38.85 C +ATOM 9616 C VAL B 89 177.214 226.991 217.550 1.00 42.49 C +ATOM 9617 O VAL B 89 176.712 227.729 216.704 1.00 45.55 O +ATOM 9618 CB VAL B 89 178.078 224.740 216.865 1.00 37.01 C +ATOM 9619 CG1 VAL B 89 177.074 224.722 215.726 1.00 32.52 C +ATOM 9620 CG2 VAL B 89 179.316 223.943 216.490 1.00 39.42 C +ATOM 9621 H VAL B 89 179.571 225.436 218.682 1.00 49.86 H +ATOM 9622 HA VAL B 89 178.903 226.589 216.468 1.00 46.61 H +ATOM 9623 HB VAL B 89 177.669 224.314 217.634 1.00 44.42 H +ATOM 9624 HG11 VAL B 89 176.850 223.801 215.517 1.00 39.02 H +ATOM 9625 HG12 VAL B 89 176.277 225.202 216.000 1.00 39.02 H +ATOM 9626 HG13 VAL B 89 177.468 225.150 214.950 1.00 39.02 H +ATOM 9627 HG21 VAL B 89 179.051 223.039 216.260 1.00 47.31 H +ATOM 9628 HG22 VAL B 89 179.744 224.366 215.729 1.00 47.31 H +ATOM 9629 HG23 VAL B 89 179.923 223.928 217.246 1.00 47.31 H +ATOM 9630 N HIS B 90 176.717 226.843 218.773 1.00 37.52 N +ATOM 9631 CA HIS B 90 175.533 227.570 219.218 1.00 46.13 C +ATOM 9632 C HIS B 90 175.783 229.072 219.229 1.00 45.50 C +ATOM 9633 O HIS B 90 174.936 229.850 218.793 1.00 37.90 O +ATOM 9634 CB HIS B 90 175.107 227.104 220.610 1.00 54.00 C +ATOM 9635 CG HIS B 90 173.947 227.867 221.172 1.00 48.15 C +ATOM 9636 ND1 HIS B 90 172.637 227.499 220.950 1.00 41.46 N +ATOM 9637 CD2 HIS B 90 173.900 228.981 221.940 1.00 44.32 C +ATOM 9638 CE1 HIS B 90 171.834 228.351 221.560 1.00 48.37 C +ATOM 9639 NE2 HIS B 90 172.575 229.260 222.168 1.00 38.37 N +ATOM 9640 H HIS B 90 177.050 226.322 219.371 1.00 45.02 H +ATOM 9641 HA HIS B 90 174.803 227.391 218.604 1.00 55.36 H +ATOM 9642 HB2 HIS B 90 174.853 226.169 220.563 1.00 64.80 H +ATOM 9643 HB3 HIS B 90 175.855 227.212 221.218 1.00 64.80 H +ATOM 9644 HD1 HIS B 90 172.383 226.819 220.488 1.00 49.75 H +ATOM 9645 HD2 HIS B 90 174.628 229.465 222.255 1.00 53.18 H +ATOM 9646 HE1 HIS B 90 170.905 228.317 221.562 1.00 58.05 H +ATOM 9647 N TYR B 91 176.946 229.475 219.733 1.00 44.31 N +ATOM 9648 CA TYR B 91 177.317 230.883 219.764 1.00 45.21 C +ATOM 9649 C TYR B 91 177.306 231.464 218.359 1.00 41.57 C +ATOM 9650 O TYR B 91 176.744 232.531 218.119 1.00 42.04 O +ATOM 9651 CB TYR B 91 178.703 231.070 220.386 1.00 44.59 C +ATOM 9652 CG TYR B 91 179.129 232.519 220.469 1.00 47.68 C +ATOM 9653 CD1 TYR B 91 179.773 233.139 219.405 1.00 44.35 C +ATOM 9654 CD2 TYR B 91 178.881 233.268 221.609 1.00 53.38 C +ATOM 9655 CE1 TYR B 91 180.159 234.463 219.478 1.00 43.00 C +ATOM 9656 CE2 TYR B 91 179.264 234.591 221.690 1.00 53.77 C +ATOM 9657 CZ TYR B 91 179.901 235.183 220.623 1.00 48.43 C +ATOM 9658 OH TYR B 91 180.279 236.502 220.707 1.00 55.71 O +ATOM 9659 H TYR B 91 177.540 228.948 220.065 1.00 53.17 H +ATOM 9660 HA TYR B 91 176.674 231.372 220.301 1.00 54.25 H +ATOM 9661 HB2 TYR B 91 178.694 230.710 221.287 1.00 53.51 H +ATOM 9662 HB3 TYR B 91 179.356 230.597 219.847 1.00 53.51 H +ATOM 9663 HD1 TYR B 91 179.947 232.654 218.631 1.00 53.22 H +ATOM 9664 HD2 TYR B 91 178.450 232.872 222.332 1.00 64.06 H +ATOM 9665 HE1 TYR B 91 180.589 234.865 218.759 1.00 51.60 H +ATOM 9666 HE2 TYR B 91 179.091 235.081 222.462 1.00 64.53 H +ATOM 9667 HH TYR B 91 180.061 236.816 221.455 1.00 66.85 H +ATOM 9668 N ILE B 92 177.936 230.748 217.437 1.00 38.96 N +ATOM 9669 CA ILE B 92 178.079 231.200 216.061 1.00 45.83 C +ATOM 9670 C ILE B 92 176.728 231.296 215.356 1.00 43.39 C +ATOM 9671 O ILE B 92 176.484 232.232 214.596 1.00 40.42 O +ATOM 9672 CB ILE B 92 179.022 230.259 215.283 1.00 41.42 C +ATOM 9673 CG1 ILE B 92 180.455 230.441 215.792 1.00 43.53 C +ATOM 9674 CG2 ILE B 92 178.969 230.530 213.781 1.00 41.26 C +ATOM 9675 CD1 ILE B 92 181.358 229.260 215.546 1.00 39.22 C +ATOM 9676 H ILE B 92 178.296 229.981 217.588 1.00 46.75 H +ATOM 9677 HA ILE B 92 178.477 232.085 216.062 1.00 54.99 H +ATOM 9678 HB ILE B 92 178.749 229.342 215.444 1.00 49.71 H +ATOM 9679 HG12 ILE B 92 180.846 231.209 215.348 1.00 52.23 H +ATOM 9680 HG13 ILE B 92 180.427 230.597 216.749 1.00 52.23 H +ATOM 9681 HG21 ILE B 92 179.573 229.921 213.329 1.00 49.51 H +ATOM 9682 HG22 ILE B 92 178.062 230.391 213.467 1.00 49.51 H +ATOM 9683 HG23 ILE B 92 179.240 231.447 213.616 1.00 49.51 H +ATOM 9684 HD11 ILE B 92 182.240 229.459 215.898 1.00 47.07 H +ATOM 9685 HD12 ILE B 92 180.991 228.482 215.995 1.00 47.07 H +ATOM 9686 HD13 ILE B 92 181.411 229.096 214.592 1.00 47.07 H +ATOM 9687 N LEU B 93 175.854 230.330 215.616 1.00 41.80 N +ATOM 9688 CA LEU B 93 174.536 230.302 214.988 1.00 37.25 C +ATOM 9689 C LEU B 93 173.597 231.364 215.557 1.00 40.68 C +ATOM 9690 O LEU B 93 172.619 231.736 214.911 1.00 34.58 O +ATOM 9691 CB LEU B 93 173.906 228.918 215.149 1.00 38.02 C +ATOM 9692 CG LEU B 93 174.368 227.862 214.145 1.00 42.26 C +ATOM 9693 CD1 LEU B 93 174.113 226.472 214.683 1.00 40.88 C +ATOM 9694 CD2 LEU B 93 173.661 228.054 212.814 1.00 42.01 C +ATOM 9695 H LEU B 93 175.999 229.676 216.155 1.00 50.16 H +ATOM 9696 HA LEU B 93 174.639 230.473 214.039 1.00 44.70 H +ATOM 9697 HB2 LEU B 93 174.116 228.587 216.036 1.00 45.63 H +ATOM 9698 HB3 LEU B 93 172.945 229.006 215.056 1.00 45.63 H +ATOM 9699 HG LEU B 93 175.322 227.959 213.997 1.00 50.71 H +ATOM 9700 HD11 LEU B 93 174.413 225.820 214.030 1.00 49.05 H +ATOM 9701 HD12 LEU B 93 174.603 226.360 215.513 1.00 49.05 H +ATOM 9702 HD13 LEU B 93 173.162 226.365 214.844 1.00 49.05 H +ATOM 9703 HD21 LEU B 93 173.969 227.376 212.193 1.00 50.41 H +ATOM 9704 HD22 LEU B 93 172.704 227.970 212.950 1.00 50.41 H +ATOM 9705 HD23 LEU B 93 173.870 228.937 212.470 1.00 50.41 H +ATOM 9706 N THR B 94 173.900 231.855 216.756 1.00 39.59 N +ATOM 9707 CA THR B 94 173.039 232.824 217.434 1.00 36.57 C +ATOM 9708 C THR B 94 173.650 234.226 217.475 1.00 39.50 C +ATOM 9709 O THR B 94 173.108 235.123 218.118 1.00 38.18 O +ATOM 9710 CB THR B 94 172.725 232.381 218.872 1.00 34.92 C +ATOM 9711 OG1 THR B 94 173.936 232.320 219.638 1.00 37.68 O +ATOM 9712 CG2 THR B 94 172.046 231.016 218.873 1.00 37.61 C +ATOM 9713 H THR B 94 174.603 231.641 217.203 1.00 47.51 H +ATOM 9714 HA THR B 94 172.199 232.883 216.953 1.00 43.88 H +ATOM 9715 HB THR B 94 172.121 233.021 219.279 1.00 41.90 H +ATOM 9716 HG1 THR B 94 174.468 231.770 219.291 1.00 45.21 H +ATOM 9717 HG21 THR B 94 171.851 230.743 219.783 1.00 45.14 H +ATOM 9718 HG22 THR B 94 171.216 231.059 218.373 1.00 45.14 H +ATOM 9719 HG23 THR B 94 172.627 230.356 218.464 1.00 45.14 H +ATOM 9720 N HIS B 95 174.778 234.408 216.794 1.00 43.84 N +ATOM 9721 CA HIS B 95 175.393 235.725 216.641 1.00 42.71 C +ATOM 9722 C HIS B 95 175.649 236.006 215.165 1.00 42.99 C +ATOM 9723 O HIS B 95 175.344 235.178 214.309 1.00 39.36 O +ATOM 9724 CB HIS B 95 176.702 235.816 217.429 1.00 39.54 C +ATOM 9725 CG HIS B 95 176.519 235.820 218.915 1.00 43.02 C +ATOM 9726 ND1 HIS B 95 176.052 234.728 219.614 1.00 52.72 N +ATOM 9727 CD2 HIS B 95 176.747 236.786 219.836 1.00 47.35 C +ATOM 9728 CE1 HIS B 95 175.997 235.022 220.901 1.00 54.35 C +ATOM 9729 NE2 HIS B 95 176.413 236.264 221.063 1.00 49.86 N +ATOM 9730 H HIS B 95 175.212 233.776 216.405 1.00 52.61 H +ATOM 9731 HA HIS B 95 174.787 236.403 216.979 1.00 51.25 H +ATOM 9732 HB2 HIS B 95 177.257 235.053 217.202 1.00 47.45 H +ATOM 9733 HB3 HIS B 95 177.157 236.637 217.185 1.00 47.45 H +ATOM 9734 HD1 HIS B 95 175.829 233.973 219.266 1.00 63.26 H +ATOM 9735 HD2 HIS B 95 177.067 237.642 219.670 1.00 56.83 H +ATOM 9736 HE1 HIS B 95 175.713 234.450 221.578 1.00 65.22 H +ATOM 9737 N PHE B 96 176.202 237.179 214.876 1.00 41.52 N +ATOM 9738 CA PHE B 96 176.593 237.539 213.516 1.00 38.52 C +ATOM 9739 C PHE B 96 175.396 237.517 212.567 1.00 40.21 C +ATOM 9740 O PHE B 96 175.423 236.869 211.520 1.00 37.95 O +ATOM 9741 CB PHE B 96 177.690 236.595 213.023 1.00 37.26 C +ATOM 9742 CG PHE B 96 178.756 236.333 214.047 1.00 40.54 C +ATOM 9743 CD1 PHE B 96 179.577 237.356 214.487 1.00 42.17 C +ATOM 9744 CD2 PHE B 96 178.931 235.067 214.576 1.00 44.22 C +ATOM 9745 CE1 PHE B 96 180.554 237.119 215.432 1.00 51.31 C +ATOM 9746 CE2 PHE B 96 179.909 234.826 215.522 1.00 46.45 C +ATOM 9747 CZ PHE B 96 180.720 235.853 215.949 1.00 45.97 C +ATOM 9748 H PHE B 96 176.364 237.791 215.457 1.00 49.82 H +ATOM 9749 HA PHE B 96 176.954 238.440 213.520 1.00 46.22 H +ATOM 9750 HB2 PHE B 96 177.288 235.744 212.787 1.00 44.72 H +ATOM 9751 HB3 PHE B 96 178.115 236.987 212.244 1.00 44.72 H +ATOM 9752 HD1 PHE B 96 179.469 238.213 214.142 1.00 50.60 H +ATOM 9753 HD2 PHE B 96 178.386 234.370 214.291 1.00 53.07 H +ATOM 9754 HE1 PHE B 96 181.101 237.814 215.719 1.00 61.57 H +ATOM 9755 HE2 PHE B 96 180.019 233.970 215.870 1.00 55.74 H +ATOM 9756 HZ PHE B 96 181.379 235.693 216.585 1.00 55.16 H +ATOM 9757 N LYS B 97 174.350 238.239 212.951 1.00 40.00 N +ATOM 9758 CA LYS B 97 173.102 238.287 212.199 1.00 41.58 C +ATOM 9759 C LYS B 97 173.310 238.712 210.746 1.00 52.07 C +ATOM 9760 O LYS B 97 172.723 238.134 209.831 1.00 46.40 O +ATOM 9761 CB LYS B 97 172.131 239.252 212.877 1.00 54.69 C +ATOM 9762 CG LYS B 97 170.666 238.880 212.749 1.00 70.50 C +ATOM 9763 CD LYS B 97 169.770 240.109 212.810 1.00 86.76 C +ATOM 9764 CE LYS B 97 170.100 241.028 213.990 1.00 99.65 C +ATOM 9765 NZ LYS B 97 169.354 242.309 213.905 1.00106.51 N +ATOM 9766 H LYS B 97 174.339 238.722 213.663 1.00 48.00 H +ATOM 9767 HA LYS B 97 172.699 237.405 212.199 1.00 49.90 H +ATOM 9768 HB2 LYS B 97 172.342 239.288 213.823 1.00 65.63 H +ATOM 9769 HB3 LYS B 97 172.245 240.132 212.485 1.00 65.63 H +ATOM 9770 HG2 LYS B 97 170.521 238.440 211.897 1.00 84.60 H +ATOM 9771 HG3 LYS B 97 170.421 238.289 213.478 1.00 84.60 H +ATOM 9772 HD2 LYS B 97 169.878 240.620 211.993 1.00104.11 H +ATOM 9773 HD3 LYS B 97 168.848 239.822 212.903 1.00104.11 H +ATOM 9774 HE2 LYS B 97 169.854 240.587 214.819 1.00119.58 H +ATOM 9775 HE3 LYS B 97 171.049 241.227 213.985 1.00119.58 H +ATOM 9776 HZ1 LYS B 97 169.560 242.827 214.599 1.00127.81 H +ATOM 9777 HZ2 LYS B 97 169.566 242.735 213.153 1.00127.81 H +ATOM 9778 HZ3 LYS B 97 168.478 242.152 213.912 1.00127.81 H +ATOM 9779 N GLY B 98 174.138 239.733 210.544 1.00 51.08 N +ATOM 9780 CA GLY B 98 174.394 240.259 209.214 1.00 42.45 C +ATOM 9781 C GLY B 98 174.999 239.219 208.294 1.00 47.84 C +ATOM 9782 O GLY B 98 174.685 239.165 207.105 1.00 48.47 O +ATOM 9783 H GLY B 98 174.566 240.140 211.169 1.00 61.29 H +ATOM 9784 HA2 GLY B 98 173.563 240.570 208.823 1.00 50.94 H +ATOM 9785 HA3 GLY B 98 175.006 241.010 209.276 1.00 50.94 H +ATOM 9786 N PHE B 99 175.874 238.390 208.852 1.00 40.36 N +ATOM 9787 CA PHE B 99 176.505 237.313 208.102 1.00 45.45 C +ATOM 9788 C PHE B 99 175.475 236.273 207.666 1.00 46.38 C +ATOM 9789 O PHE B 99 175.488 235.815 206.524 1.00 47.12 O +ATOM 9790 CB PHE B 99 177.604 236.662 208.947 1.00 41.66 C +ATOM 9791 CG PHE B 99 178.056 235.324 208.439 1.00 40.20 C +ATOM 9792 CD1 PHE B 99 178.858 235.227 207.316 1.00 41.60 C +ATOM 9793 CD2 PHE B 99 177.692 234.164 209.098 1.00 45.42 C +ATOM 9794 CE1 PHE B 99 179.277 233.995 206.854 1.00 42.00 C +ATOM 9795 CE2 PHE B 99 178.109 232.931 208.640 1.00 39.05 C +ATOM 9796 CZ PHE B 99 178.903 232.848 207.517 1.00 44.43 C +ATOM 9797 H PHE B 99 176.121 238.431 209.675 1.00 48.44 H +ATOM 9798 HA PHE B 99 176.917 237.681 207.305 1.00 54.54 H +ATOM 9799 HB2 PHE B 99 178.376 237.249 208.960 1.00 49.99 H +ATOM 9800 HB3 PHE B 99 177.271 236.538 209.849 1.00 49.99 H +ATOM 9801 HD1 PHE B 99 179.112 235.999 206.864 1.00 49.92 H +ATOM 9802 HD2 PHE B 99 177.156 234.214 209.856 1.00 54.50 H +ATOM 9803 HE1 PHE B 99 179.813 233.941 206.096 1.00 50.40 H +ATOM 9804 HE2 PHE B 99 177.856 232.158 209.089 1.00 46.86 H +ATOM 9805 HZ PHE B 99 179.185 232.018 207.207 1.00 53.32 H +ATOM 9806 N TRP B 100 174.574 235.915 208.573 1.00 45.41 N +ATOM 9807 CA TRP B 100 173.563 234.907 208.277 1.00 45.51 C +ATOM 9808 C TRP B 100 172.511 235.422 207.298 1.00 42.80 C +ATOM 9809 O TRP B 100 171.946 234.645 206.532 1.00 37.77 O +ATOM 9810 CB TRP B 100 172.894 234.433 209.567 1.00 45.10 C +ATOM 9811 CG TRP B 100 173.805 233.607 210.422 1.00 36.32 C +ATOM 9812 CD1 TRP B 100 174.282 233.925 211.658 1.00 38.18 C +ATOM 9813 CD2 TRP B 100 174.363 232.331 210.093 1.00 27.69 C +ATOM 9814 NE1 TRP B 100 175.096 232.922 212.124 1.00 38.23 N +ATOM 9815 CE2 TRP B 100 175.162 231.931 211.180 1.00 34.78 C +ATOM 9816 CE3 TRP B 100 174.260 231.485 208.985 1.00 35.94 C +ATOM 9817 CZ2 TRP B 100 175.856 230.722 211.193 1.00 37.03 C +ATOM 9818 CZ3 TRP B 100 174.947 230.285 209.000 1.00 34.37 C +ATOM 9819 CH2 TRP B 100 175.735 229.916 210.095 1.00 31.27 C +ATOM 9820 H TRP B 100 174.526 236.240 209.368 1.00 54.49 H +ATOM 9821 HA TRP B 100 173.996 234.141 207.870 1.00 54.61 H +ATOM 9822 HB2 TRP B 100 172.619 235.207 210.083 1.00 54.12 H +ATOM 9823 HB3 TRP B 100 172.121 233.892 209.342 1.00 54.12 H +ATOM 9824 HD1 TRP B 100 174.082 234.707 212.120 1.00 45.81 H +ATOM 9825 HE1 TRP B 100 175.499 232.917 212.883 1.00 45.87 H +ATOM 9826 HE3 TRP B 100 173.738 231.723 208.254 1.00 43.12 H +ATOM 9827 HZ2 TRP B 100 176.379 230.473 211.920 1.00 44.44 H +ATOM 9828 HZ3 TRP B 100 174.886 229.715 208.268 1.00 41.24 H +ATOM 9829 HH2 TRP B 100 176.186 229.103 210.077 1.00 37.53 H +ATOM 9830 N ASN B 101 172.253 236.726 207.320 1.00 47.89 N +ATOM 9831 CA ASN B 101 171.351 237.337 206.349 1.00 48.39 C +ATOM 9832 C ASN B 101 171.839 237.094 204.929 1.00 48.69 C +ATOM 9833 O ASN B 101 171.040 236.910 204.011 1.00 58.02 O +ATOM 9834 CB ASN B 101 171.215 238.840 206.599 1.00 54.56 C +ATOM 9835 CG ASN B 101 170.279 239.163 207.752 1.00 66.75 C +ATOM 9836 OD1 ASN B 101 169.324 238.432 208.018 1.00 69.68 O +ATOM 9837 ND2 ASN B 101 170.546 240.270 208.436 1.00 67.24 N +ATOM 9838 H ASN B 101 172.588 237.280 207.887 1.00 57.47 H +ATOM 9839 HA ASN B 101 170.472 236.936 206.438 1.00 58.07 H +ATOM 9840 HB2 ASN B 101 172.088 239.205 206.811 1.00 65.47 H +ATOM 9841 HB3 ASN B 101 170.864 239.263 205.800 1.00 65.47 H +ATOM 9842 HD21 ASN B 101 170.046 240.497 209.098 1.00 80.69 H +ATOM 9843 HD22 ASN B 101 171.219 240.759 208.218 1.00 80.69 H +ATOM 9844 N VAL B 102 173.156 237.091 204.756 1.00 46.09 N +ATOM 9845 CA VAL B 102 173.755 236.833 203.453 1.00 49.88 C +ATOM 9846 C VAL B 102 173.691 235.346 203.130 1.00 47.64 C +ATOM 9847 O VAL B 102 173.224 234.965 202.058 1.00 48.54 O +ATOM 9848 CB VAL B 102 175.217 237.318 203.397 1.00 51.74 C +ATOM 9849 CG1 VAL B 102 175.886 236.894 202.088 1.00 54.71 C +ATOM 9850 CG2 VAL B 102 175.271 238.829 203.556 1.00 53.03 C +ATOM 9851 H VAL B 102 173.728 237.236 205.381 1.00 55.31 H +ATOM 9852 HA VAL B 102 173.253 237.311 202.774 1.00 59.85 H +ATOM 9853 HB VAL B 102 175.711 236.920 204.131 1.00 62.09 H +ATOM 9854 HG11 VAL B 102 176.802 237.213 202.085 1.00 65.65 H +ATOM 9855 HG12 VAL B 102 175.873 235.926 202.027 1.00 65.65 H +ATOM 9856 HG13 VAL B 102 175.398 237.280 201.345 1.00 65.65 H +ATOM 9857 HG21 VAL B 102 176.196 239.117 203.518 1.00 63.63 H +ATOM 9858 HG22 VAL B 102 174.766 239.240 202.836 1.00 63.63 H +ATOM 9859 HG23 VAL B 102 174.883 239.070 204.412 1.00 63.63 H +ATOM 9860 N VAL B 103 174.167 234.517 204.055 1.00 52.24 N +ATOM 9861 CA VAL B 103 174.110 233.065 203.897 1.00 56.06 C +ATOM 9862 C VAL B 103 172.690 232.619 203.571 1.00 50.45 C +ATOM 9863 O VAL B 103 172.479 231.793 202.684 1.00 42.41 O +ATOM 9864 CB VAL B 103 174.589 232.331 205.172 1.00 45.67 C +ATOM 9865 CG1 VAL B 103 174.372 230.819 205.052 1.00 47.67 C +ATOM 9866 CG2 VAL B 103 176.051 232.632 205.439 1.00 46.47 C +ATOM 9867 H VAL B 103 174.532 234.772 204.790 1.00 62.69 H +ATOM 9868 HA VAL B 103 174.686 232.802 203.162 1.00 67.28 H +ATOM 9869 HB VAL B 103 174.074 232.648 205.931 1.00 54.80 H +ATOM 9870 HG11 VAL B 103 174.682 230.390 205.865 1.00 57.20 H +ATOM 9871 HG12 VAL B 103 173.426 230.645 204.926 1.00 57.20 H +ATOM 9872 HG13 VAL B 103 174.874 230.488 204.291 1.00 57.20 H +ATOM 9873 HG21 VAL B 103 176.328 232.162 206.241 1.00 55.76 H +ATOM 9874 HG22 VAL B 103 176.578 232.333 204.682 1.00 55.76 H +ATOM 9875 HG23 VAL B 103 176.158 233.588 205.562 1.00 55.76 H +ATOM 9876 N ASN B 104 171.725 233.174 204.295 1.00 42.69 N +ATOM 9877 CA ASN B 104 170.324 232.805 204.127 1.00 48.36 C +ATOM 9878 C ASN B 104 169.813 233.064 202.714 1.00 49.10 C +ATOM 9879 O ASN B 104 168.911 232.375 202.241 1.00 47.52 O +ATOM 9880 CB ASN B 104 169.452 233.562 205.133 1.00 38.97 C +ATOM 9881 CG ASN B 104 169.553 232.996 206.538 1.00 38.00 C +ATOM 9882 OD1 ASN B 104 169.951 231.848 206.731 1.00 38.41 O +ATOM 9883 ND2 ASN B 104 169.189 233.803 207.527 1.00 36.63 N +ATOM 9884 H ASN B 104 171.857 233.774 204.897 1.00 51.23 H +ATOM 9885 HA ASN B 104 170.229 231.856 204.307 1.00 58.03 H +ATOM 9886 HB2 ASN B 104 169.735 234.489 205.162 1.00 46.76 H +ATOM 9887 HB3 ASN B 104 168.525 233.506 204.853 1.00 46.76 H +ATOM 9888 HD21 ASN B 104 169.228 233.529 208.342 1.00 43.95 H +ATOM 9889 HD22 ASN B 104 168.914 234.599 207.354 1.00 43.95 H +ATOM 9890 N ASN B 105 170.396 234.054 202.045 1.00 52.48 N +ATOM 9891 CA ASN B 105 169.969 234.435 200.701 1.00 47.14 C +ATOM 9892 C ASN B 105 170.843 233.825 199.608 1.00 49.78 C +ATOM 9893 O ASN B 105 170.697 234.159 198.434 1.00 53.28 O +ATOM 9894 CB ASN B 105 169.954 235.958 200.568 1.00 50.41 C +ATOM 9895 CG ASN B 105 168.797 236.596 201.308 1.00 47.68 C +ATOM 9896 OD1 ASN B 105 167.697 236.047 201.354 1.00 49.61 O +ATOM 9897 ND2 ASN B 105 169.038 237.760 201.893 1.00 56.19 N +ATOM 9898 H ASN B 105 171.048 234.526 202.350 1.00 62.98 H +ATOM 9899 HA ASN B 105 169.062 234.118 200.563 1.00 56.57 H +ATOM 9900 HB2 ASN B 105 170.778 236.316 200.934 1.00 60.50 H +ATOM 9901 HB3 ASN B 105 169.877 236.193 199.630 1.00 60.50 H +ATOM 9902 HD21 ASN B 105 168.413 238.162 202.326 1.00 67.43 H +ATOM 9903 HD22 ASN B 105 169.820 238.114 201.841 1.00 67.43 H +ATOM 9904 N ILE B 105A 171.748 232.934 200.002 1.00 51.27 N +ATOM 9905 CA ILE B 105A 172.535 232.148 199.057 1.00 45.59 C +ATOM 9906 C ILE B 105A 172.032 230.705 199.125 1.00 46.07 C +ATOM 9907 O ILE B 105A 172.491 229.935 199.963 1.00 48.42 O +ATOM 9908 CB ILE B 105A 174.039 232.203 199.368 1.00 48.70 C +ATOM 9909 CG1 ILE B 105A 174.533 233.650 199.310 1.00 48.27 C +ATOM 9910 CG2 ILE B 105A 174.818 231.347 198.373 1.00 41.06 C +ATOM 9911 CD1 ILE B 105A 175.949 233.848 199.814 1.00 41.19 C +ATOM 9912 H ILE B 105A 171.929 232.765 200.825 1.00 61.53 H +ATOM 9913 HA ILE B 105A 172.392 232.482 198.158 1.00 54.71 H +ATOM 9914 HB ILE B 105A 174.187 231.857 200.262 1.00 58.44 H +ATOM 9915 HG12 ILE B 105A 174.503 233.952 198.389 1.00 57.92 H +ATOM 9916 HG13 ILE B 105A 173.947 234.200 199.854 1.00 57.92 H +ATOM 9917 HG21 ILE B 105A 175.763 231.396 198.587 1.00 49.27 H +ATOM 9918 HG22 ILE B 105A 174.511 230.429 198.439 1.00 49.27 H +ATOM 9919 HG23 ILE B 105A 174.663 231.685 197.477 1.00 49.27 H +ATOM 9920 HD11 ILE B 105A 176.180 234.788 199.743 1.00 49.43 H +ATOM 9921 HD12 ILE B 105A 175.996 233.565 200.740 1.00 49.43 H +ATOM 9922 HD13 ILE B 105A 176.553 233.316 199.273 1.00 49.43 H +ATOM 9923 N PRO B 106 171.076 230.339 198.250 1.00 49.99 N +ATOM 9924 CA PRO B 106 170.408 229.032 198.344 1.00 51.65 C +ATOM 9925 C PRO B 106 171.384 227.863 198.396 1.00 44.72 C +ATOM 9926 O PRO B 106 171.188 226.930 199.174 1.00 47.99 O +ATOM 9927 CB PRO B 106 169.568 228.974 197.064 1.00 38.35 C +ATOM 9928 CG PRO B 106 169.372 230.387 196.670 1.00 41.95 C +ATOM 9929 CD PRO B 106 170.612 231.102 197.077 1.00 48.24 C +ATOM 9930 HA PRO B 106 169.824 229.003 199.118 1.00 61.98 H +ATOM 9931 HB2 PRO B 106 170.051 228.489 196.377 1.00 46.02 H +ATOM 9932 HB3 PRO B 106 168.716 228.549 197.251 1.00 46.02 H +ATOM 9933 HG2 PRO B 106 169.247 230.441 195.709 1.00 50.34 H +ATOM 9934 HG3 PRO B 106 168.601 230.749 197.134 1.00 50.34 H +ATOM 9935 HD2 PRO B 106 171.272 231.065 196.367 1.00 57.88 H +ATOM 9936 HD3 PRO B 106 170.408 232.016 197.327 1.00 57.88 H +ATOM 9937 N PHE B 107 172.423 227.923 197.572 1.00 50.48 N +ATOM 9938 CA PHE B 107 173.419 226.864 197.518 1.00 52.04 C +ATOM 9939 C PHE B 107 174.045 226.613 198.884 1.00 47.71 C +ATOM 9940 O PHE B 107 174.226 225.466 199.289 1.00 44.86 O +ATOM 9941 CB PHE B 107 174.506 227.211 196.503 1.00 60.03 C +ATOM 9942 CG PHE B 107 175.725 226.347 196.609 1.00 66.11 C +ATOM 9943 CD1 PHE B 107 175.741 225.079 196.054 1.00 69.61 C +ATOM 9944 CD2 PHE B 107 176.855 226.800 197.268 1.00 67.18 C +ATOM 9945 CE1 PHE B 107 176.862 224.279 196.154 1.00 69.67 C +ATOM 9946 CE2 PHE B 107 177.979 226.006 197.371 1.00 70.26 C +ATOM 9947 CZ PHE B 107 177.982 224.744 196.813 1.00 71.85 C +ATOM 9948 H PHE B 107 172.574 228.574 197.031 1.00 60.57 H +ATOM 9949 HA PHE B 107 172.990 226.043 197.229 1.00 62.45 H +ATOM 9950 HB2 PHE B 107 174.145 227.107 195.609 1.00 72.03 H +ATOM 9951 HB3 PHE B 107 174.782 228.131 196.641 1.00 72.03 H +ATOM 9952 HD1 PHE B 107 174.988 224.762 195.610 1.00 83.53 H +ATOM 9953 HD2 PHE B 107 176.857 227.650 197.646 1.00 80.61 H +ATOM 9954 HE1 PHE B 107 176.863 223.429 195.777 1.00 83.60 H +ATOM 9955 HE2 PHE B 107 178.732 226.321 197.815 1.00 84.31 H +ATOM 9956 HZ PHE B 107 178.739 224.207 196.881 1.00 86.21 H +ATOM 9957 N LEU B 108 174.378 227.691 199.587 1.00 46.91 N +ATOM 9958 CA LEU B 108 174.979 227.588 200.913 1.00 49.18 C +ATOM 9959 C LEU B 108 173.963 227.148 201.954 1.00 48.16 C +ATOM 9960 O LEU B 108 174.210 226.219 202.723 1.00 46.41 O +ATOM 9961 CB LEU B 108 175.590 228.925 201.331 1.00 52.78 C +ATOM 9962 CG LEU B 108 177.054 229.158 200.961 1.00 66.54 C +ATOM 9963 CD1 LEU B 108 177.442 230.589 201.285 1.00 70.38 C +ATOM 9964 CD2 LEU B 108 177.962 228.179 201.696 1.00 50.99 C +ATOM 9965 H LEU B 108 174.265 228.499 199.316 1.00 56.29 H +ATOM 9966 HA LEU B 108 175.689 226.927 200.888 1.00 59.02 H +ATOM 9967 HB2 LEU B 108 175.074 229.635 200.919 1.00 63.34 H +ATOM 9968 HB3 LEU B 108 175.523 228.999 202.296 1.00 63.34 H +ATOM 9969 HG LEU B 108 177.169 229.021 200.008 1.00 79.85 H +ATOM 9970 HD11 LEU B 108 178.372 230.725 201.046 1.00 84.46 H +ATOM 9971 HD12 LEU B 108 176.877 231.191 200.775 1.00 84.46 H +ATOM 9972 HD13 LEU B 108 177.318 230.743 202.234 1.00 84.46 H +ATOM 9973 HD21 LEU B 108 178.882 228.351 201.442 1.00 61.19 H +ATOM 9974 HD22 LEU B 108 177.853 228.304 202.651 1.00 61.19 H +ATOM 9975 HD23 LEU B 108 177.714 227.274 201.450 1.00 61.19 H +ATOM 9976 N ARG B 109 172.827 227.834 201.980 1.00 41.00 N +ATOM 9977 CA ARG B 109 171.768 227.537 202.931 1.00 42.26 C +ATOM 9978 C ARG B 109 171.367 226.064 202.874 1.00 41.13 C +ATOM 9979 O ARG B 109 171.214 225.413 203.906 1.00 35.86 O +ATOM 9980 CB ARG B 109 170.555 228.420 202.654 1.00 36.29 C +ATOM 9981 CG ARG B 109 169.473 228.335 203.710 1.00 37.94 C +ATOM 9982 CD ARG B 109 168.116 228.532 203.091 1.00 40.62 C +ATOM 9983 NE ARG B 109 167.043 228.440 204.073 1.00 45.94 N +ATOM 9984 CZ ARG B 109 165.754 228.560 203.775 1.00 48.04 C +ATOM 9985 NH1 ARG B 109 164.840 228.462 204.729 1.00 47.76 N +ATOM 9986 NH2 ARG B 109 165.380 228.777 202.520 1.00 43.65 N +ATOM 9987 H ARG B 109 172.644 228.484 201.448 1.00 49.20 H +ATOM 9988 HA ARG B 109 172.083 227.730 203.828 1.00 50.71 H +ATOM 9989 HB2 ARG B 109 170.846 229.343 202.604 1.00 43.55 H +ATOM 9990 HB3 ARG B 109 170.162 228.154 201.808 1.00 43.55 H +ATOM 9991 HG2 ARG B 109 169.496 227.459 204.127 1.00 45.53 H +ATOM 9992 HG3 ARG B 109 169.613 229.030 204.373 1.00 45.53 H +ATOM 9993 HD2 ARG B 109 168.078 229.412 202.684 1.00 48.75 H +ATOM 9994 HD3 ARG B 109 167.971 227.848 202.420 1.00 48.75 H +ATOM 9995 HE ARG B 109 167.251 228.219 204.877 1.00 55.13 H +ATOM 9996 HH11 ARG B 109 165.081 228.322 205.543 1.00 57.31 H +ATOM 9997 HH12 ARG B 109 164.006 228.540 204.536 1.00 57.31 H +ATOM 9998 HH21 ARG B 109 165.972 228.840 201.900 1.00 52.38 H +ATOM 9999 HH22 ARG B 109 164.545 228.854 202.328 1.00 52.38 H +ATOM 10000 N ASN B 110 171.204 225.546 201.662 1.00 38.18 N +ATOM 10001 CA ASN B 110 170.843 224.149 201.467 1.00 38.65 C +ATOM 10002 C ASN B 110 171.919 223.200 201.988 1.00 38.76 C +ATOM 10003 O ASN B 110 171.615 222.178 202.604 1.00 34.52 O +ATOM 10004 CB ASN B 110 170.583 223.871 199.985 1.00 35.00 C +ATOM 10005 CG ASN B 110 169.353 224.585 199.465 1.00 41.51 C +ATOM 10006 OD1 ASN B 110 168.416 224.863 200.214 1.00 35.46 O +ATOM 10007 ND2 ASN B 110 169.347 224.882 198.172 1.00 43.60 N +ATOM 10008 H ASN B 110 171.298 225.988 200.930 1.00 45.81 H +ATOM 10009 HA ASN B 110 170.024 223.965 201.953 1.00 46.38 H +ATOM 10010 HB2 ASN B 110 171.347 224.172 199.468 1.00 42.01 H +ATOM 10011 HB3 ASN B 110 170.453 222.917 199.860 1.00 42.01 H +ATOM 10012 HD21 ASN B 110 168.671 225.287 197.827 1.00 52.32 H +ATOM 10013 HD22 ASN B 110 170.018 224.669 197.678 1.00 52.32 H +ATOM 10014 N ALA B 111 173.177 223.545 201.736 1.00 34.42 N +ATOM 10015 CA ALA B 111 174.294 222.714 202.164 1.00 36.31 C +ATOM 10016 C ALA B 111 174.368 222.653 203.685 1.00 33.23 C +ATOM 10017 O ALA B 111 174.631 221.600 204.262 1.00 31.84 O +ATOM 10018 CB ALA B 111 175.597 223.243 201.589 1.00 34.27 C +ATOM 10019 H ALA B 111 173.411 224.259 201.318 1.00 41.30 H +ATOM 10020 HA ALA B 111 174.163 221.811 201.832 1.00 43.57 H +ATOM 10021 HB1 ALA B 111 176.326 222.675 201.886 1.00 41.12 H +ATOM 10022 HB2 ALA B 111 175.542 223.232 200.621 1.00 41.12 H +ATOM 10023 HB3 ALA B 111 175.734 224.150 201.903 1.00 41.12 H +ATOM 10024 N ILE B 112 174.132 223.791 204.329 1.00 34.41 N +ATOM 10025 CA ILE B 112 174.149 223.868 205.783 1.00 31.47 C +ATOM 10026 C ILE B 112 172.989 223.080 206.377 1.00 35.15 C +ATOM 10027 O ILE B 112 173.182 222.272 207.286 1.00 29.25 O +ATOM 10028 CB ILE B 112 174.086 225.329 206.266 1.00 34.67 C +ATOM 10029 CG1 ILE B 112 175.368 226.065 205.865 1.00 31.80 C +ATOM 10030 CG2 ILE B 112 173.891 225.397 207.784 1.00 35.20 C +ATOM 10031 CD1 ILE B 112 175.318 227.561 206.083 1.00 32.73 C +ATOM 10032 H ILE B 112 173.958 224.539 203.942 1.00 41.29 H +ATOM 10033 HA ILE B 112 174.976 223.479 206.110 1.00 37.76 H +ATOM 10034 HB ILE B 112 173.332 225.764 205.837 1.00 41.60 H +ATOM 10035 HG12 ILE B 112 176.105 225.715 206.389 1.00 38.16 H +ATOM 10036 HG13 ILE B 112 175.534 225.909 204.922 1.00 38.16 H +ATOM 10037 HG21 ILE B 112 173.855 226.327 208.056 1.00 42.24 H +ATOM 10038 HG22 ILE B 112 173.062 224.952 208.015 1.00 42.24 H +ATOM 10039 HG23 ILE B 112 174.638 224.954 208.217 1.00 42.24 H +ATOM 10040 HD11 ILE B 112 176.163 227.949 205.806 1.00 39.28 H +ATOM 10041 HD12 ILE B 112 174.594 227.933 205.555 1.00 39.28 H +ATOM 10042 HD13 ILE B 112 175.165 227.738 207.025 1.00 39.28 H +ATOM 10043 N MET B 113 171.785 223.322 205.869 1.00 34.24 N +ATOM 10044 CA MET B 113 170.605 222.626 206.361 1.00 29.75 C +ATOM 10045 C MET B 113 170.759 221.126 206.157 1.00 31.19 C +ATOM 10046 O MET B 113 170.417 220.333 207.029 1.00 27.55 O +ATOM 10047 CB MET B 113 169.342 223.122 205.657 1.00 30.04 C +ATOM 10048 CG MET B 113 168.060 222.536 206.229 1.00 27.03 C +ATOM 10049 SD MET B 113 167.756 223.103 207.911 1.00 27.77 S +ATOM 10050 CE MET B 113 166.810 221.733 208.573 1.00 30.16 C +ATOM 10051 H MET B 113 171.626 223.885 205.238 1.00 41.09 H +ATOM 10052 HA MET B 113 170.508 222.805 207.309 1.00 35.70 H +ATOM 10053 HB2 MET B 113 169.292 224.087 205.745 1.00 36.05 H +ATOM 10054 HB3 MET B 113 169.388 222.878 204.720 1.00 36.05 H +ATOM 10055 HG2 MET B 113 167.311 222.809 205.677 1.00 32.44 H +ATOM 10056 HG3 MET B 113 168.131 221.569 206.243 1.00 32.44 H +ATOM 10057 HE1 MET B 113 166.581 221.925 209.496 1.00 36.20 H +ATOM 10058 HE2 MET B 113 166.002 221.625 208.047 1.00 36.20 H +ATOM 10059 HE3 MET B 113 167.347 220.927 208.525 1.00 36.20 H +ATOM 10060 N SER B 114 171.276 220.744 204.997 1.00 34.44 N +ATOM 10061 CA SER B 114 171.521 219.342 204.697 1.00 37.75 C +ATOM 10062 C SER B 114 172.489 218.730 205.706 1.00 40.09 C +ATOM 10063 O SER B 114 172.315 217.588 206.131 1.00 42.00 O +ATOM 10064 CB SER B 114 172.070 219.188 203.282 1.00 37.90 C +ATOM 10065 OG SER B 114 172.424 217.843 203.024 1.00 46.77 O +ATOM 10066 H SER B 114 171.496 221.282 204.362 1.00 41.33 H +ATOM 10067 HA SER B 114 170.683 218.856 204.750 1.00 45.31 H +ATOM 10068 HB2 SER B 114 171.390 219.462 202.648 1.00 45.48 H +ATOM 10069 HB3 SER B 114 172.858 219.746 203.187 1.00 45.48 H +ATOM 10070 HG SER B 114 172.725 217.770 202.243 1.00 56.13 H +ATOM 10071 N TYR B 115 173.502 219.497 206.093 1.00 31.82 N +ATOM 10072 CA TYR B 115 174.475 219.020 207.065 1.00 37.18 C +ATOM 10073 C TYR B 115 173.854 218.881 208.447 1.00 36.45 C +ATOM 10074 O TYR B 115 174.136 217.923 209.166 1.00 43.30 O +ATOM 10075 CB TYR B 115 175.680 219.956 207.147 1.00 34.32 C +ATOM 10076 CG TYR B 115 176.586 219.599 208.297 1.00 35.93 C +ATOM 10077 CD1 TYR B 115 177.459 218.525 208.204 1.00 43.54 C +ATOM 10078 CD2 TYR B 115 176.548 220.314 209.486 1.00 38.07 C +ATOM 10079 CE1 TYR B 115 178.280 218.181 209.257 1.00 41.20 C +ATOM 10080 CE2 TYR B 115 177.367 219.978 210.545 1.00 39.67 C +ATOM 10081 CZ TYR B 115 178.230 218.911 210.425 1.00 41.46 C +ATOM 10082 OH TYR B 115 179.050 218.570 211.477 1.00 81.76 O +ATOM 10083 H TYR B 115 173.647 220.295 205.808 1.00 38.18 H +ATOM 10084 HA TYR B 115 174.793 218.146 206.790 1.00 44.62 H +ATOM 10085 HB2 TYR B 115 176.192 219.889 206.326 1.00 41.19 H +ATOM 10086 HB3 TYR B 115 175.370 220.866 207.276 1.00 41.19 H +ATOM 10087 HD1 TYR B 115 177.494 218.031 207.417 1.00 52.25 H +ATOM 10088 HD2 TYR B 115 175.965 221.034 209.568 1.00 45.68 H +ATOM 10089 HE1 TYR B 115 178.865 217.462 209.179 1.00 49.44 H +ATOM 10090 HE2 TYR B 115 177.335 220.469 211.335 1.00 47.60 H +ATOM 10091 HH TYR B 115 178.920 219.091 212.123 1.00 98.11 H +ATOM 10092 N VAL B 116 173.028 219.850 208.823 1.00 36.98 N +ATOM 10093 CA VAL B 116 172.323 219.806 210.098 1.00 35.84 C +ATOM 10094 C VAL B 116 171.508 218.525 210.213 1.00 37.44 C +ATOM 10095 O VAL B 116 171.505 217.874 211.256 1.00 35.54 O +ATOM 10096 CB VAL B 116 171.397 221.031 210.271 1.00 35.30 C +ATOM 10097 CG1 VAL B 116 170.372 220.809 211.390 1.00 35.86 C +ATOM 10098 CG2 VAL B 116 172.223 222.278 210.546 1.00 37.51 C +ATOM 10099 H VAL B 116 172.857 220.550 208.353 1.00 44.38 H +ATOM 10100 HA VAL B 116 172.972 219.815 210.819 1.00 43.00 H +ATOM 10101 HB VAL B 116 170.909 221.174 209.445 1.00 42.36 H +ATOM 10102 HG11 VAL B 116 169.812 221.597 211.466 1.00 43.03 H +ATOM 10103 HG12 VAL B 116 169.828 220.036 211.170 1.00 43.03 H +ATOM 10104 HG13 VAL B 116 170.843 220.655 212.224 1.00 43.03 H +ATOM 10105 HG21 VAL B 116 171.626 223.035 210.652 1.00 45.01 H +ATOM 10106 HG22 VAL B 116 172.735 222.143 211.359 1.00 45.01 H +ATOM 10107 HG23 VAL B 116 172.822 222.430 209.799 1.00 45.01 H +ATOM 10108 N LEU B 117 170.822 218.163 209.135 1.00 32.62 N +ATOM 10109 CA LEU B 117 169.942 217.002 209.143 1.00 39.88 C +ATOM 10110 C LEU B 117 170.710 215.688 209.273 1.00 43.39 C +ATOM 10111 O LEU B 117 170.365 214.848 210.099 1.00 40.66 O +ATOM 10112 CB LEU B 117 169.088 216.977 207.874 1.00 39.59 C +ATOM 10113 CG LEU B 117 168.081 218.122 207.729 1.00 35.80 C +ATOM 10114 CD1 LEU B 117 167.444 218.081 206.352 1.00 35.64 C +ATOM 10115 CD2 LEU B 117 167.020 218.067 208.821 1.00 29.24 C +ATOM 10116 H LEU B 117 170.849 218.577 208.381 1.00 39.15 H +ATOM 10117 HA LEU B 117 169.343 217.070 209.902 1.00 47.86 H +ATOM 10118 HB2 LEU B 117 169.679 217.012 207.106 1.00 47.51 H +ATOM 10119 HB3 LEU B 117 168.587 216.146 207.859 1.00 47.51 H +ATOM 10120 HG LEU B 117 168.551 218.965 207.814 1.00 42.96 H +ATOM 10121 HD11 LEU B 117 166.810 218.812 206.277 1.00 42.77 H +ATOM 10122 HD12 LEU B 117 168.138 218.175 205.681 1.00 42.77 H +ATOM 10123 HD13 LEU B 117 166.987 217.233 206.241 1.00 42.77 H +ATOM 10124 HD21 LEU B 117 166.402 218.804 208.697 1.00 35.09 H +ATOM 10125 HD22 LEU B 117 166.546 217.223 208.758 1.00 35.09 H +ATOM 10126 HD23 LEU B 117 167.453 218.139 209.685 1.00 35.09 H +ATOM 10127 N THR B 118 171.746 215.513 208.463 1.00 42.79 N +ATOM 10128 CA THR B 118 172.482 214.253 208.440 1.00 47.20 C +ATOM 10129 C THR B 118 173.361 214.065 209.676 1.00 49.01 C +ATOM 10130 O THR B 118 173.473 212.955 210.195 1.00 44.41 O +ATOM 10131 CB THR B 118 173.367 214.144 207.189 1.00 42.58 C +ATOM 10132 OG1 THR B 118 174.183 215.315 207.074 1.00 48.06 O +ATOM 10133 CG2 THR B 118 172.511 213.996 205.939 1.00 38.29 C +ATOM 10134 H THR B 118 172.045 216.106 207.916 1.00 51.35 H +ATOM 10135 HA THR B 118 171.845 213.522 208.417 1.00 56.64 H +ATOM 10136 HB THR B 118 173.935 213.361 207.264 1.00 51.10 H +ATOM 10137 HG1 THR B 118 174.669 215.261 206.391 1.00 57.68 H +ATOM 10138 HG21 THR B 118 173.079 213.928 205.155 1.00 45.95 H +ATOM 10139 HG22 THR B 118 171.965 213.197 206.004 1.00 45.95 H +ATOM 10140 HG23 THR B 118 171.931 214.767 205.842 1.00 45.95 H +ATOM 10141 N SER B 119 173.979 215.144 210.148 1.00 39.34 N +ATOM 10142 CA SER B 119 174.875 215.057 211.297 1.00 39.90 C +ATOM 10143 C SER B 119 174.109 214.690 212.569 1.00 41.71 C +ATOM 10144 O SER B 119 174.540 213.828 213.334 1.00 35.51 O +ATOM 10145 CB SER B 119 175.634 216.374 211.493 1.00 31.91 C +ATOM 10146 OG SER B 119 174.793 217.403 211.985 1.00 36.03 O +ATOM 10147 H SER B 119 173.897 215.935 209.823 1.00 47.21 H +ATOM 10148 HA SER B 119 175.528 214.359 211.132 1.00 47.88 H +ATOM 10149 HB2 SER B 119 176.353 216.229 212.128 1.00 38.30 H +ATOM 10150 HB3 SER B 119 176.002 216.653 210.640 1.00 38.30 H +ATOM 10151 HG SER B 119 174.166 217.544 211.444 1.00 43.23 H +ATOM 10152 N ARG B 120 172.970 215.337 212.792 1.00 44.42 N +ATOM 10153 CA ARG B 120 172.160 215.058 213.974 1.00 42.20 C +ATOM 10154 C ARG B 120 171.513 213.678 213.876 1.00 44.12 C +ATOM 10155 O ARG B 120 171.410 212.959 214.867 1.00 41.58 O +ATOM 10156 CB ARG B 120 171.083 216.127 214.156 1.00 31.14 C +ATOM 10157 CG ARG B 120 171.610 217.553 214.268 1.00 38.64 C +ATOM 10158 CD ARG B 120 171.855 217.973 215.708 1.00 44.94 C +ATOM 10159 NE ARG B 120 171.892 219.427 215.846 1.00 54.14 N +ATOM 10160 CZ ARG B 120 172.103 220.069 216.990 1.00 46.57 C +ATOM 10161 NH1 ARG B 120 172.303 219.391 218.111 1.00 44.41 N +ATOM 10162 NH2 ARG B 120 172.116 221.393 217.016 1.00 49.58 N +ATOM 10163 H ARG B 120 172.644 215.941 212.274 1.00 53.30 H +ATOM 10164 HA ARG B 120 172.730 215.069 214.759 1.00 50.64 H +ATOM 10165 HB2 ARG B 120 170.484 216.096 213.393 1.00 37.37 H +ATOM 10166 HB3 ARG B 120 170.588 215.933 214.967 1.00 37.37 H +ATOM 10167 HG2 ARG B 120 172.451 217.618 213.789 1.00 46.37 H +ATOM 10168 HG3 ARG B 120 170.961 218.162 213.884 1.00 46.37 H +ATOM 10169 HD2 ARG B 120 171.138 217.634 216.267 1.00 53.93 H +ATOM 10170 HD3 ARG B 120 172.708 217.618 216.005 1.00 53.93 H +ATOM 10171 HE ARG B 120 171.770 219.900 215.138 1.00 64.96 H +ATOM 10172 HH11 ARG B 120 172.296 218.531 218.101 1.00 53.29 H +ATOM 10173 HH12 ARG B 120 172.440 219.811 218.849 1.00 53.29 H +ATOM 10174 HH21 ARG B 120 171.987 221.838 216.291 1.00 59.49 H +ATOM 10175 HH22 ARG B 120 172.254 221.808 217.756 1.00 59.49 H +ATOM 10176 N SER B 121 171.088 213.309 212.673 1.00 44.34 N +ATOM 10177 CA SER B 121 170.404 212.039 212.457 1.00 48.08 C +ATOM 10178 C SER B 121 171.289 210.830 212.749 1.00 44.46 C +ATOM 10179 O SER B 121 170.791 209.783 213.154 1.00 46.05 O +ATOM 10180 CB SER B 121 169.889 211.956 211.020 1.00 49.55 C +ATOM 10181 OG SER B 121 168.797 212.838 210.819 1.00 53.98 O +ATOM 10182 H SER B 121 171.184 213.780 211.960 1.00 53.21 H +ATOM 10183 HA SER B 121 169.637 211.994 213.049 1.00 57.69 H +ATOM 10184 HB2 SER B 121 170.606 212.199 210.414 1.00 59.46 H +ATOM 10185 HB3 SER B 121 169.598 211.048 210.842 1.00 59.46 H +ATOM 10186 HG SER B 121 169.035 213.629 210.970 1.00 64.77 H +ATOM 10187 N HIS B 122 172.595 210.975 212.535 1.00 45.71 N +ATOM 10188 CA HIS B 122 173.537 209.881 212.765 1.00 45.34 C +ATOM 10189 C HIS B 122 173.559 209.433 214.224 1.00 31.74 C +ATOM 10190 O HIS B 122 174.060 208.355 214.537 1.00 30.94 O +ATOM 10191 CB HIS B 122 174.951 210.290 212.345 1.00 49.47 C +ATOM 10192 CG HIS B 122 175.157 210.345 210.863 1.00 66.74 C +ATOM 10193 ND1 HIS B 122 176.262 210.934 210.289 1.00 73.11 N +ATOM 10194 CD2 HIS B 122 174.405 209.880 209.838 1.00 73.50 C +ATOM 10195 CE1 HIS B 122 176.180 210.834 208.974 1.00 74.29 C +ATOM 10196 NE2 HIS B 122 175.062 210.198 208.674 1.00 75.79 N +ATOM 10197 H HIS B 122 172.963 211.700 212.255 1.00 54.86 H +ATOM 10198 HA HIS B 122 173.273 209.120 212.224 1.00 54.41 H +ATOM 10199 HB2 HIS B 122 175.140 211.171 212.703 1.00 59.36 H +ATOM 10200 HB3 HIS B 122 175.581 209.647 212.707 1.00 59.36 H +ATOM 10201 HD2 HIS B 122 173.593 209.432 209.908 1.00 88.20 H +ATOM 10202 HE1 HIS B 122 176.803 211.155 208.364 1.00 89.15 H +ATOM 10203 HE2 HIS B 122 174.790 210.013 207.880 1.00 90.94 H +ATOM 10204 N LEU B 123 173.027 210.265 215.112 1.00 31.40 N +ATOM 10205 CA LEU B 123 173.038 209.969 216.541 1.00 34.79 C +ATOM 10206 C LEU B 123 171.913 209.027 216.943 1.00 24.40 C +ATOM 10207 O LEU B 123 171.886 208.529 218.065 1.00 30.96 O +ATOM 10208 CB LEU B 123 172.939 211.264 217.347 1.00 37.88 C +ATOM 10209 CG LEU B 123 174.202 212.124 217.376 1.00 34.79 C +ATOM 10210 CD1 LEU B 123 173.903 213.481 217.991 1.00 39.88 C +ATOM 10211 CD2 LEU B 123 175.299 211.419 218.147 1.00 32.41 C +ATOM 10212 H LEU B 123 172.650 211.012 214.911 1.00 37.68 H +ATOM 10213 HA LEU B 123 173.879 209.542 216.766 1.00 41.75 H +ATOM 10214 HB2 LEU B 123 172.228 211.805 216.970 1.00 45.45 H +ATOM 10215 HB3 LEU B 123 172.721 211.037 218.264 1.00 45.45 H +ATOM 10216 HG LEU B 123 174.513 212.264 216.468 1.00 41.75 H +ATOM 10217 HD11 LEU B 123 174.716 214.010 217.999 1.00 47.86 H +ATOM 10218 HD12 LEU B 123 173.224 213.925 217.458 1.00 47.86 H +ATOM 10219 HD13 LEU B 123 173.581 213.353 218.897 1.00 47.86 H +ATOM 10220 HD21 LEU B 123 176.090 211.980 218.154 1.00 38.89 H +ATOM 10221 HD22 LEU B 123 174.995 211.263 219.055 1.00 38.89 H +ATOM 10222 HD23 LEU B 123 175.495 210.573 217.714 1.00 38.89 H +ATOM 10223 N ILE B 124 170.987 208.788 216.023 1.00 26.66 N +ATOM 10224 CA ILE B 124 169.847 207.920 216.278 1.00 26.98 C +ATOM 10225 C ILE B 124 170.006 206.604 215.535 1.00 26.59 C +ATOM 10226 O ILE B 124 170.291 206.587 214.340 1.00 29.23 O +ATOM 10227 CB ILE B 124 168.530 208.590 215.852 1.00 21.40 C +ATOM 10228 CG1 ILE B 124 168.401 209.970 216.506 1.00 28.24 C +ATOM 10229 CG2 ILE B 124 167.330 207.701 216.195 1.00 21.43 C +ATOM 10230 CD1 ILE B 124 168.436 209.948 218.019 1.00 24.40 C +ATOM 10231 H ILE B 124 170.998 209.122 215.230 1.00 32.00 H +ATOM 10232 HA ILE B 124 169.798 207.729 217.227 1.00 32.38 H +ATOM 10233 HB ILE B 124 168.550 208.712 214.890 1.00 25.68 H +ATOM 10234 HG12 ILE B 124 169.135 210.528 216.202 1.00 33.89 H +ATOM 10235 HG13 ILE B 124 167.557 210.365 216.236 1.00 33.89 H +ATOM 10236 HG21 ILE B 124 166.516 208.149 215.916 1.00 25.71 H +ATOM 10237 HG22 ILE B 124 167.420 206.856 215.728 1.00 25.71 H +ATOM 10238 HG23 ILE B 124 167.313 207.551 217.153 1.00 25.71 H +ATOM 10239 HD11 ILE B 124 168.349 210.856 218.350 1.00 29.28 H +ATOM 10240 HD12 ILE B 124 167.700 209.406 218.344 1.00 29.28 H +ATOM 10241 HD13 ILE B 124 169.280 209.569 218.310 1.00 29.28 H +ATOM 10242 N ASP B 125 169.831 205.497 216.250 1.00 24.95 N +ATOM 10243 CA ASP B 125 169.835 204.185 215.621 1.00 30.22 C +ATOM 10244 C ASP B 125 168.497 203.942 214.933 1.00 24.57 C +ATOM 10245 O ASP B 125 167.442 204.016 215.560 1.00 26.07 O +ATOM 10246 CB ASP B 125 170.121 203.085 216.647 1.00 29.09 C +ATOM 10247 CG ASP B 125 171.587 203.021 217.040 1.00 40.91 C +ATOM 10248 OD1 ASP B 125 172.438 203.482 216.248 1.00 36.43 O +ATOM 10249 OD2 ASP B 125 171.889 202.505 218.135 1.00 52.21 O +ATOM 10250 H ASP B 125 169.708 205.481 217.101 1.00 29.93 H +ATOM 10251 HA ASP B 125 170.531 204.158 214.946 1.00 36.27 H +ATOM 10252 HB2 ASP B 125 169.603 203.257 217.449 1.00 34.91 H +ATOM 10253 HB3 ASP B 125 169.874 202.227 216.269 1.00 34.91 H +ATOM 10254 N SER B 126 168.559 203.644 213.642 1.00 22.77 N +ATOM 10255 CA SER B 126 167.368 203.463 212.829 1.00 25.37 C +ATOM 10256 C SER B 126 167.636 202.422 211.742 1.00 18.77 C +ATOM 10257 O SER B 126 168.495 202.636 210.893 1.00 26.68 O +ATOM 10258 CB SER B 126 166.946 204.795 212.206 1.00 21.03 C +ATOM 10259 OG SER B 126 165.744 204.664 211.465 1.00 26.37 O +ATOM 10260 H SER B 126 169.294 203.539 213.207 1.00 27.32 H +ATOM 10261 HA SER B 126 166.642 203.143 213.387 1.00 30.45 H +ATOM 10262 HB2 SER B 126 166.809 205.443 212.915 1.00 25.24 H +ATOM 10263 HB3 SER B 126 167.649 205.101 211.612 1.00 25.24 H +ATOM 10264 HG SER B 126 165.124 204.401 211.968 1.00 31.65 H +ATOM 10265 N PRO B 127 166.914 201.288 211.756 1.00 22.69 N +ATOM 10266 CA PRO B 127 165.852 200.868 212.682 1.00 24.67 C +ATOM 10267 C PRO B 127 166.304 200.797 214.143 1.00 25.78 C +ATOM 10268 O PRO B 127 167.496 200.645 214.417 1.00 22.20 O +ATOM 10269 CB PRO B 127 165.459 199.477 212.163 1.00 30.67 C +ATOM 10270 CG PRO B 127 166.549 199.066 211.244 1.00 30.37 C +ATOM 10271 CD PRO B 127 167.092 200.316 210.665 1.00 21.34 C +ATOM 10272 HA PRO B 127 165.090 201.463 212.611 1.00 29.61 H +ATOM 10273 HB2 PRO B 127 165.390 198.860 212.908 1.00 36.80 H +ATOM 10274 HB3 PRO B 127 164.615 199.535 211.688 1.00 36.80 H +ATOM 10275 HG2 PRO B 127 167.235 198.597 211.744 1.00 36.44 H +ATOM 10276 HG3 PRO B 127 166.188 198.497 210.546 1.00 36.44 H +ATOM 10277 HD2 PRO B 127 168.033 200.212 210.454 1.00 25.61 H +ATOM 10278 HD3 PRO B 127 166.578 200.581 209.886 1.00 25.61 H +ATOM 10279 N PRO B 128 165.345 200.905 215.074 1.00 26.20 N +ATOM 10280 CA PRO B 128 165.607 201.061 216.506 1.00 20.11 C +ATOM 10281 C PRO B 128 166.161 199.798 217.152 1.00 21.52 C +ATOM 10282 O PRO B 128 166.137 198.733 216.537 1.00 15.31 O +ATOM 10283 CB PRO B 128 164.231 201.400 217.067 1.00 20.64 C +ATOM 10284 CG PRO B 128 163.295 200.692 216.171 1.00 28.49 C +ATOM 10285 CD PRO B 128 163.905 200.745 214.802 1.00 25.90 C +ATOM 10286 HA PRO B 128 166.214 201.801 216.664 1.00 24.13 H +ATOM 10287 HB2 PRO B 128 164.155 201.072 217.977 1.00 24.77 H +ATOM 10288 HB3 PRO B 128 164.087 202.359 217.030 1.00 24.77 H +ATOM 10289 HG2 PRO B 128 163.199 199.772 216.465 1.00 34.19 H +ATOM 10290 HG3 PRO B 128 162.436 201.143 216.178 1.00 34.19 H +ATOM 10291 HD2 PRO B 128 163.741 199.916 214.326 1.00 31.08 H +ATOM 10292 HD3 PRO B 128 163.567 201.510 214.310 1.00 31.08 H +ATOM 10293 N THR B 129 166.634 199.922 218.388 1.00 18.86 N +ATOM 10294 CA THR B 129 167.313 198.823 219.065 1.00 25.28 C +ATOM 10295 C THR B 129 166.642 198.444 220.391 1.00 20.77 C +ATOM 10296 O THR B 129 165.781 197.572 220.417 1.00 26.62 O +ATOM 10297 CB THR B 129 168.794 199.173 219.305 1.00 21.68 C +ATOM 10298 OG1 THR B 129 168.894 200.399 220.038 1.00 26.62 O +ATOM 10299 CG2 THR B 129 169.514 199.336 217.973 1.00 19.90 C +ATOM 10300 H THR B 129 166.574 200.639 218.860 1.00 22.64 H +ATOM 10301 HA THR B 129 167.286 198.043 218.490 1.00 30.34 H +ATOM 10302 HB THR B 129 169.222 198.459 219.804 1.00 26.01 H +ATOM 10303 HG1 THR B 129 169.702 200.590 220.169 1.00 31.94 H +ATOM 10304 HG21 THR B 129 170.446 199.556 218.125 1.00 23.87 H +ATOM 10305 HG22 THR B 129 169.463 198.511 217.466 1.00 23.87 H +ATOM 10306 HG23 THR B 129 169.102 200.048 217.459 1.00 23.87 H +ATOM 10307 N TYR B 130 167.028 199.099 221.481 1.00 20.87 N +ATOM 10308 CA TYR B 130 166.586 198.688 222.810 1.00 24.55 C +ATOM 10309 C TYR B 130 165.217 199.246 223.199 1.00 30.01 C +ATOM 10310 O TYR B 130 164.752 200.230 222.630 1.00 33.40 O +ATOM 10311 CB TYR B 130 167.608 199.125 223.863 1.00 27.40 C +ATOM 10312 CG TYR B 130 169.045 198.795 223.530 1.00 27.53 C +ATOM 10313 CD1 TYR B 130 169.518 197.492 223.610 1.00 26.23 C +ATOM 10314 CD2 TYR B 130 169.936 199.791 223.152 1.00 26.51 C +ATOM 10315 CE1 TYR B 130 170.829 197.189 223.312 1.00 26.06 C +ATOM 10316 CE2 TYR B 130 171.255 199.496 222.854 1.00 30.47 C +ATOM 10317 CZ TYR B 130 171.693 198.194 222.936 1.00 30.68 C +ATOM 10318 OH TYR B 130 172.999 197.890 222.642 1.00 33.61 O +ATOM 10319 H TYR B 130 167.547 199.785 221.479 1.00 25.05 H +ATOM 10320 HA TYR B 130 166.529 197.720 222.835 1.00 29.46 H +ATOM 10321 HB2 TYR B 130 167.546 200.086 223.973 1.00 32.88 H +ATOM 10322 HB3 TYR B 130 167.394 198.687 224.702 1.00 32.88 H +ATOM 10323 HD1 TYR B 130 168.938 196.810 223.863 1.00 31.47 H +ATOM 10324 HD2 TYR B 130 169.641 200.671 223.096 1.00 31.81 H +ATOM 10325 HE1 TYR B 130 171.130 196.311 223.368 1.00 31.28 H +ATOM 10326 HE2 TYR B 130 171.840 200.172 222.599 1.00 36.56 H +ATOM 10327 HH TYR B 130 173.415 198.588 222.428 1.00 40.33 H +ATOM 10328 N ASN B 131 164.578 198.596 224.168 1.00 26.15 N +ATOM 10329 CA ASN B 131 163.454 199.191 224.885 1.00 26.64 C +ATOM 10330 C ASN B 131 163.598 198.886 226.375 1.00 27.12 C +ATOM 10331 O ASN B 131 164.641 198.395 226.806 1.00 25.85 O +ATOM 10332 CB ASN B 131 162.104 198.704 224.334 1.00 24.25 C +ATOM 10333 CG ASN B 131 161.868 197.211 224.522 1.00 25.80 C +ATOM 10334 OD1 ASN B 131 162.311 196.598 225.493 1.00 29.21 O +ATOM 10335 ND2 ASN B 131 161.138 196.624 223.587 1.00 19.76 N +ATOM 10336 H ASN B 131 164.779 197.803 224.431 1.00 31.38 H +ATOM 10337 HA ASN B 131 163.488 200.154 224.776 1.00 31.96 H +ATOM 10338 HB2 ASN B 131 161.390 199.177 224.790 1.00 29.10 H +ATOM 10339 HB3 ASN B 131 162.068 198.893 223.383 1.00 29.10 H +ATOM 10340 HD21 ASN B 131 160.970 195.783 223.638 1.00 23.71 H +ATOM 10341 HD22 ASN B 131 160.831 197.085 222.929 1.00 23.71 H +ATOM 10342 N ALA B 132 162.561 199.176 227.155 1.00 27.13 N +ATOM 10343 CA ALA B 132 162.633 199.055 228.611 1.00 27.22 C +ATOM 10344 C ALA B 132 162.961 197.639 229.080 1.00 26.23 C +ATOM 10345 O ALA B 132 163.565 197.460 230.132 1.00 34.50 O +ATOM 10346 CB ALA B 132 161.323 199.510 229.240 1.00 23.22 C +ATOM 10347 H ALA B 132 161.798 199.447 226.865 1.00 32.55 H +ATOM 10348 HA ALA B 132 163.334 199.641 228.936 1.00 32.67 H +ATOM 10349 HB1 ALA B 132 161.389 199.423 230.204 1.00 27.87 H +ATOM 10350 HB2 ALA B 132 161.164 200.437 229.002 1.00 27.87 H +ATOM 10351 HB3 ALA B 132 160.602 198.954 228.906 1.00 27.87 H +ATOM 10352 N ASP B 133 162.566 196.640 228.300 1.00 29.76 N +ATOM 10353 CA ASP B 133 162.708 195.247 228.716 1.00 24.28 C +ATOM 10354 C ASP B 133 163.920 194.536 228.112 1.00 23.93 C +ATOM 10355 O ASP B 133 164.176 193.382 228.437 1.00 27.84 O +ATOM 10356 CB ASP B 133 161.436 194.467 228.363 1.00 22.02 C +ATOM 10357 CG ASP B 133 160.302 194.725 229.341 1.00 21.56 C +ATOM 10358 OD1 ASP B 133 160.577 195.091 230.499 1.00 32.22 O +ATOM 10359 OD2 ASP B 133 159.131 194.553 228.955 1.00 30.89 O +ATOM 10360 H ASP B 133 162.212 196.741 227.523 1.00 35.71 H +ATOM 10361 HA ASP B 133 162.807 195.223 229.680 1.00 29.14 H +ATOM 10362 HB2 ASP B 133 161.137 194.733 227.480 1.00 26.43 H +ATOM 10363 HB3 ASP B 133 161.634 193.518 228.376 1.00 26.43 H +ATOM 10364 N TYR B 134 164.670 195.217 227.252 1.00 27.52 N +ATOM 10365 CA TYR B 134 165.814 194.589 226.595 1.00 26.05 C +ATOM 10366 C TYR B 134 167.034 195.498 226.517 1.00 27.41 C +ATOM 10367 O TYR B 134 167.031 196.497 225.806 1.00 27.98 O +ATOM 10368 CB TYR B 134 165.415 194.123 225.194 1.00 23.02 C +ATOM 10369 CG TYR B 134 164.403 193.005 225.229 1.00 18.18 C +ATOM 10370 CD1 TYR B 134 164.808 191.683 225.334 1.00 18.25 C +ATOM 10371 CD2 TYR B 134 163.042 193.270 225.183 1.00 21.30 C +ATOM 10372 CE1 TYR B 134 163.889 190.659 225.375 1.00 17.92 C +ATOM 10373 CE2 TYR B 134 162.117 192.253 225.228 1.00 19.79 C +ATOM 10374 CZ TYR B 134 162.544 190.949 225.324 1.00 21.93 C +ATOM 10375 OH TYR B 134 161.618 189.936 225.371 1.00 27.32 O +ATOM 10376 H TYR B 134 164.540 196.038 227.031 1.00 33.02 H +ATOM 10377 HA TYR B 134 166.068 193.803 227.104 1.00 31.27 H +ATOM 10378 HB2 TYR B 134 165.024 194.868 224.711 1.00 27.63 H +ATOM 10379 HB3 TYR B 134 166.203 193.802 224.730 1.00 27.63 H +ATOM 10380 HD1 TYR B 134 165.716 191.484 225.369 1.00 21.90 H +ATOM 10381 HD2 TYR B 134 162.750 194.151 225.118 1.00 25.56 H +ATOM 10382 HE1 TYR B 134 164.175 189.776 225.443 1.00 21.50 H +ATOM 10383 HE2 TYR B 134 161.208 192.446 225.192 1.00 23.75 H +ATOM 10384 HH TYR B 134 162.006 189.194 225.430 1.00 32.79 H +ATOM 10385 N GLY B 135 168.074 195.131 227.262 1.00 24.85 N +ATOM 10386 CA GLY B 135 169.346 195.828 227.223 1.00 26.48 C +ATOM 10387 C GLY B 135 170.286 195.201 226.210 1.00 25.29 C +ATOM 10388 O GLY B 135 171.471 195.525 226.153 1.00 23.88 O +ATOM 10389 H GLY B 135 168.062 194.466 227.808 1.00 29.82 H +ATOM 10390 HA2 GLY B 135 169.202 196.757 226.981 1.00 31.78 H +ATOM 10391 HA3 GLY B 135 169.764 195.795 228.097 1.00 31.78 H +ATOM 10392 N TYR B 136 169.745 194.284 225.418 1.00 23.09 N +ATOM 10393 CA TYR B 136 170.473 193.671 224.316 1.00 28.74 C +ATOM 10394 C TYR B 136 169.552 193.644 223.107 1.00 24.57 C +ATOM 10395 O TYR B 136 168.333 193.646 223.263 1.00 26.33 O +ATOM 10396 CB TYR B 136 170.938 192.258 224.680 1.00 27.91 C +ATOM 10397 CG TYR B 136 169.824 191.359 225.158 1.00 21.59 C +ATOM 10398 CD1 TYR B 136 169.471 191.311 226.499 1.00 27.47 C +ATOM 10399 CD2 TYR B 136 169.118 190.563 224.269 1.00 19.93 C +ATOM 10400 CE1 TYR B 136 168.450 190.495 226.939 1.00 21.68 C +ATOM 10401 CE2 TYR B 136 168.096 189.745 224.702 1.00 25.74 C +ATOM 10402 CZ TYR B 136 167.767 189.715 226.039 1.00 23.46 C +ATOM 10403 OH TYR B 136 166.750 188.903 226.480 1.00 25.21 O +ATOM 10404 H TYR B 136 168.940 193.994 225.501 1.00 27.70 H +ATOM 10405 HA TYR B 136 171.252 194.208 224.101 1.00 34.49 H +ATOM 10406 HB2 TYR B 136 171.336 191.847 223.897 1.00 33.49 H +ATOM 10407 HB3 TYR B 136 171.597 192.318 225.390 1.00 33.49 H +ATOM 10408 HD1 TYR B 136 169.932 191.838 227.111 1.00 32.97 H +ATOM 10409 HD2 TYR B 136 169.337 190.581 223.365 1.00 23.92 H +ATOM 10410 HE1 TYR B 136 168.226 190.473 227.842 1.00 26.02 H +ATOM 10411 HE2 TYR B 136 167.632 189.216 224.094 1.00 30.89 H +ATOM 10412 HH TYR B 136 166.417 188.483 225.833 1.00 30.26 H +ATOM 10413 N LYS B 137 170.129 193.644 221.912 1.00 24.85 N +ATOM 10414 CA LYS B 137 169.330 193.574 220.694 1.00 21.87 C +ATOM 10415 C LYS B 137 168.528 192.282 220.669 1.00 22.99 C +ATOM 10416 O LYS B 137 169.051 191.207 220.964 1.00 29.83 O +ATOM 10417 CB LYS B 137 170.211 193.660 219.444 1.00 29.36 C +ATOM 10418 CG LYS B 137 170.580 195.070 219.009 1.00 26.41 C +ATOM 10419 CD LYS B 137 171.790 195.586 219.746 1.00 32.98 C +ATOM 10420 CE LYS B 137 172.440 196.737 219.003 1.00 27.29 C +ATOM 10421 NZ LYS B 137 173.672 197.187 219.699 1.00 30.40 N +ATOM 10422 H LYS B 137 170.977 193.685 221.778 1.00 29.81 H +ATOM 10423 HA LYS B 137 168.708 194.318 220.677 1.00 26.24 H +ATOM 10424 HB2 LYS B 137 171.037 193.181 219.616 1.00 35.23 H +ATOM 10425 HB3 LYS B 137 169.740 193.241 218.706 1.00 35.23 H +ATOM 10426 HG2 LYS B 137 170.781 195.069 218.060 1.00 31.69 H +ATOM 10427 HG3 LYS B 137 169.837 195.665 219.193 1.00 31.69 H +ATOM 10428 HD2 LYS B 137 171.521 195.902 220.623 1.00 39.58 H +ATOM 10429 HD3 LYS B 137 172.442 194.872 219.832 1.00 39.58 H +ATOM 10430 HE2 LYS B 137 172.681 196.449 218.109 1.00 32.75 H +ATOM 10431 HE3 LYS B 137 171.822 197.484 218.962 1.00 32.75 H +ATOM 10432 HZ1 LYS B 137 174.044 197.862 219.254 1.00 36.47 H +ATOM 10433 HZ2 LYS B 137 173.474 197.458 220.523 1.00 36.47 H +ATOM 10434 HZ3 LYS B 137 174.256 196.516 219.748 1.00 36.47 H +ATOM 10435 N SER B 138 167.253 192.398 220.321 1.00 22.94 N +ATOM 10436 CA SER B 138 166.375 191.246 220.211 1.00 22.95 C +ATOM 10437 C SER B 138 165.248 191.544 219.236 1.00 30.12 C +ATOM 10438 O SER B 138 164.929 192.707 218.977 1.00 24.06 O +ATOM 10439 CB SER B 138 165.803 190.872 221.574 1.00 25.94 C +ATOM 10440 OG SER B 138 164.994 191.915 222.075 1.00 28.09 O +ATOM 10441 H SER B 138 166.869 193.146 220.141 1.00 27.53 H +ATOM 10442 HA SER B 138 166.879 190.489 219.872 1.00 27.54 H +ATOM 10443 HB2 SER B 138 165.265 190.070 221.482 1.00 31.13 H +ATOM 10444 HB3 SER B 138 166.534 190.713 222.191 1.00 31.13 H +ATOM 10445 HG SER B 138 164.682 191.702 222.825 1.00 33.71 H +ATOM 10446 N TRP B 139 164.638 190.494 218.703 1.00 24.79 N +ATOM 10447 CA TRP B 139 163.550 190.678 217.762 1.00 23.90 C +ATOM 10448 C TRP B 139 162.311 191.239 218.451 1.00 25.08 C +ATOM 10449 O TRP B 139 161.523 191.951 217.832 1.00 22.11 O +ATOM 10450 CB TRP B 139 163.199 189.370 217.060 1.00 20.43 C +ATOM 10451 CG TRP B 139 162.351 189.631 215.872 1.00 22.82 C +ATOM 10452 CD1 TRP B 139 160.994 189.529 215.791 1.00 26.04 C +ATOM 10453 CD2 TRP B 139 162.797 190.089 214.595 1.00 17.39 C +ATOM 10454 NE1 TRP B 139 160.569 189.880 214.535 1.00 25.37 N +ATOM 10455 CE2 TRP B 139 161.658 190.228 213.781 1.00 26.36 C +ATOM 10456 CE3 TRP B 139 164.052 190.388 214.059 1.00 26.88 C +ATOM 10457 CZ2 TRP B 139 161.736 190.652 212.460 1.00 26.67 C +ATOM 10458 CZ3 TRP B 139 164.128 190.803 212.749 1.00 20.37 C +ATOM 10459 CH2 TRP B 139 162.977 190.933 211.963 1.00 25.53 C +ATOM 10460 H TRP B 139 164.834 189.673 218.868 1.00 29.74 H +ATOM 10461 HA TRP B 139 163.827 191.314 217.085 1.00 28.68 H +ATOM 10462 HB2 TRP B 139 164.013 188.932 216.766 1.00 24.51 H +ATOM 10463 HB3 TRP B 139 162.707 188.798 217.669 1.00 24.51 H +ATOM 10464 HD1 TRP B 139 160.437 189.258 216.486 1.00 31.25 H +ATOM 10465 HE1 TRP B 139 159.752 189.881 214.265 1.00 30.45 H +ATOM 10466 HE3 TRP B 139 164.820 190.304 214.575 1.00 32.25 H +ATOM 10467 HZ2 TRP B 139 160.974 190.736 211.933 1.00 32.01 H +ATOM 10468 HZ3 TRP B 139 164.958 191.005 212.382 1.00 24.44 H +ATOM 10469 HH2 TRP B 139 163.060 191.217 211.081 1.00 30.63 H +ATOM 10470 N GLU B 140 162.134 190.913 219.727 1.00 27.66 N +ATOM 10471 CA GLU B 140 161.020 191.453 220.494 1.00 28.51 C +ATOM 10472 C GLU B 140 161.154 192.968 220.608 1.00 25.89 C +ATOM 10473 O GLU B 140 160.191 193.701 220.398 1.00 18.29 O +ATOM 10474 CB GLU B 140 160.955 190.817 221.885 1.00 23.44 C +ATOM 10475 CG GLU B 140 159.771 191.268 222.736 1.00 23.64 C +ATOM 10476 CD GLU B 140 158.431 190.791 222.204 1.00 26.95 C +ATOM 10477 OE1 GLU B 140 158.391 189.772 221.484 1.00 31.02 O +ATOM 10478 OE2 GLU B 140 157.409 191.439 222.507 1.00 25.93 O +ATOM 10479 H GLU B 140 162.645 190.382 220.171 1.00 33.19 H +ATOM 10480 HA GLU B 140 160.190 191.256 220.032 1.00 34.21 H +ATOM 10481 HB2 GLU B 140 160.894 189.855 221.784 1.00 28.12 H +ATOM 10482 HB3 GLU B 140 161.766 191.043 222.367 1.00 28.12 H +ATOM 10483 HG2 GLU B 140 159.878 190.916 223.634 1.00 28.37 H +ATOM 10484 HG3 GLU B 140 159.754 192.238 222.762 1.00 28.37 H +ATOM 10485 N ALA B 141 162.356 193.429 220.934 1.00 17.70 N +ATOM 10486 CA ALA B 141 162.603 194.852 221.105 1.00 21.49 C +ATOM 10487 C ALA B 141 162.465 195.607 219.788 1.00 25.83 C +ATOM 10488 O ALA B 141 161.992 196.743 219.768 1.00 27.12 O +ATOM 10489 CB ALA B 141 163.981 195.083 221.702 1.00 22.85 C +ATOM 10490 H ALA B 141 163.048 192.934 221.062 1.00 21.24 H +ATOM 10491 HA ALA B 141 161.948 195.211 221.724 1.00 25.79 H +ATOM 10492 HB1 ALA B 141 164.123 196.037 221.807 1.00 27.42 H +ATOM 10493 HB2 ALA B 141 164.028 194.645 222.566 1.00 27.42 H +ATOM 10494 HB3 ALA B 141 164.649 194.712 221.105 1.00 27.42 H +ATOM 10495 N PHE B 142 162.875 194.982 218.690 1.00 19.35 N +ATOM 10496 CA PHE B 142 162.740 195.616 217.385 1.00 20.04 C +ATOM 10497 C PHE B 142 161.307 195.603 216.863 1.00 20.33 C +ATOM 10498 O PHE B 142 160.812 196.615 216.372 1.00 24.44 O +ATOM 10499 CB PHE B 142 163.628 194.944 216.339 1.00 23.13 C +ATOM 10500 CG PHE B 142 163.149 195.168 214.939 1.00 20.01 C +ATOM 10501 CD1 PHE B 142 163.307 196.402 214.332 1.00 21.57 C +ATOM 10502 CD2 PHE B 142 162.500 194.165 214.245 1.00 16.82 C +ATOM 10503 CE1 PHE B 142 162.844 196.623 213.053 1.00 20.56 C +ATOM 10504 CE2 PHE B 142 162.038 194.382 212.966 1.00 23.60 C +ATOM 10505 CZ PHE B 142 162.208 195.613 212.370 1.00 22.35 C +ATOM 10506 H PHE B 142 163.231 194.200 218.672 1.00 23.22 H +ATOM 10507 HA PHE B 142 163.019 196.542 217.459 1.00 24.05 H +ATOM 10508 HB2 PHE B 142 164.527 195.303 216.410 1.00 27.75 H +ATOM 10509 HB3 PHE B 142 163.640 193.988 216.502 1.00 27.75 H +ATOM 10510 HD1 PHE B 142 163.734 197.089 214.791 1.00 25.88 H +ATOM 10511 HD2 PHE B 142 162.379 193.333 214.643 1.00 20.18 H +ATOM 10512 HE1 PHE B 142 162.963 197.453 212.651 1.00 24.67 H +ATOM 10513 HE2 PHE B 142 161.609 193.697 212.504 1.00 28.32 H +ATOM 10514 HZ PHE B 142 161.900 195.757 211.504 1.00 26.82 H +ATOM 10515 N SER B 143 160.649 194.453 216.957 1.00 21.08 N +ATOM 10516 CA SER B 143 159.398 194.234 216.235 1.00 29.13 C +ATOM 10517 C SER B 143 158.149 194.746 216.953 1.00 21.10 C +ATOM 10518 O SER B 143 157.147 195.035 216.309 1.00 27.04 O +ATOM 10519 CB SER B 143 159.223 192.743 215.940 1.00 27.39 C +ATOM 10520 OG SER B 143 158.925 192.018 217.118 1.00 26.56 O +ATOM 10521 H SER B 143 160.905 193.783 217.431 1.00 25.30 H +ATOM 10522 HA SER B 143 159.452 194.695 215.383 1.00 34.96 H +ATOM 10523 HB2 SER B 143 158.495 192.631 215.309 1.00 32.86 H +ATOM 10524 HB3 SER B 143 160.046 192.399 215.558 1.00 32.86 H +ATOM 10525 HG SER B 143 159.549 192.105 217.674 1.00 31.87 H +ATOM 10526 N ASN B 144 158.205 194.850 218.276 1.00 23.89 N +ATOM 10527 CA ASN B 144 157.024 195.201 219.061 1.00 25.25 C +ATOM 10528 C ASN B 144 156.833 196.715 219.130 1.00 18.97 C +ATOM 10529 O ASN B 144 157.536 197.411 219.860 1.00 18.60 O +ATOM 10530 CB ASN B 144 157.132 194.602 220.466 1.00 21.04 C +ATOM 10531 CG ASN B 144 155.818 194.653 221.239 1.00 28.70 C +ATOM 10532 OD1 ASN B 144 154.978 195.524 221.020 1.00 24.93 O +ATOM 10533 ND2 ASN B 144 155.644 193.706 222.154 1.00 34.85 N +ATOM 10534 H ASN B 144 158.914 194.722 218.745 1.00 28.67 H +ATOM 10535 HA ASN B 144 156.240 194.822 218.635 1.00 30.30 H +ATOM 10536 HB2 ASN B 144 157.400 193.673 220.393 1.00 25.25 H +ATOM 10537 HB3 ASN B 144 157.795 195.099 220.970 1.00 25.25 H +ATOM 10538 HD21 ASN B 144 156.265 193.124 222.278 1.00 41.82 H +ATOM 10539 N LEU B 145 155.867 197.211 218.364 1.00 19.53 N +ATOM 10540 CA LEU B 145 155.658 198.647 218.208 1.00 23.24 C +ATOM 10541 C LEU B 145 154.965 199.292 219.412 1.00 28.02 C +ATOM 10542 O LEU B 145 154.847 200.513 219.480 1.00 28.69 O +ATOM 10543 CB LEU B 145 154.840 198.917 216.945 1.00 30.67 C +ATOM 10544 CG LEU B 145 155.433 198.424 215.620 1.00 32.17 C +ATOM 10545 CD1 LEU B 145 154.424 198.587 214.492 1.00 37.88 C +ATOM 10546 CD2 LEU B 145 156.719 199.161 215.288 1.00 29.10 C +ATOM 10547 H LEU B 145 155.311 196.730 217.917 1.00 23.43 H +ATOM 10548 HA LEU B 145 156.521 199.077 218.099 1.00 27.89 H +ATOM 10549 HB2 LEU B 145 153.975 198.491 217.048 1.00 36.81 H +ATOM 10550 HB3 LEU B 145 154.716 199.876 216.864 1.00 36.81 H +ATOM 10551 HG LEU B 145 155.641 197.480 215.700 1.00 38.61 H +ATOM 10552 HD11 LEU B 145 154.820 198.269 213.666 1.00 45.46 H +ATOM 10553 HD12 LEU B 145 153.631 198.069 214.700 1.00 45.46 H +ATOM 10554 HD13 LEU B 145 154.193 199.526 214.409 1.00 45.46 H +ATOM 10555 HD21 LEU B 145 157.067 198.826 214.447 1.00 34.92 H +ATOM 10556 HD22 LEU B 145 156.529 200.109 215.214 1.00 34.92 H +ATOM 10557 HD23 LEU B 145 157.363 199.007 215.997 1.00 34.92 H +ATOM 10558 N SER B 146 154.515 198.478 220.361 1.00 22.98 N +ATOM 10559 CA SER B 146 153.816 199.003 221.527 1.00 24.21 C +ATOM 10560 C SER B 146 154.785 199.637 222.518 1.00 23.35 C +ATOM 10561 O SER B 146 154.377 200.416 223.372 1.00 24.91 O +ATOM 10562 CB SER B 146 153.011 197.899 222.215 1.00 27.37 C +ATOM 10563 OG SER B 146 151.904 197.516 221.420 1.00 28.95 O +ATOM 10564 H SER B 146 154.600 197.623 220.353 1.00 27.57 H +ATOM 10565 HA SER B 146 153.195 199.689 221.238 1.00 29.05 H +ATOM 10566 HB2 SER B 146 153.584 197.129 222.351 1.00 32.84 H +ATOM 10567 HB3 SER B 146 152.688 198.228 223.068 1.00 32.84 H +ATOM 10568 HG SER B 146 151.470 196.910 221.806 1.00 34.74 H +ATOM 10569 N TYR B 147 156.064 199.292 222.406 1.00 22.98 N +ATOM 10570 CA TYR B 147 157.104 199.881 223.244 1.00 20.52 C +ATOM 10571 C TYR B 147 157.593 201.217 222.704 1.00 20.29 C +ATOM 10572 O TYR B 147 157.744 201.381 221.495 1.00 19.43 O +ATOM 10573 CB TYR B 147 158.324 198.962 223.338 1.00 25.35 C +ATOM 10574 CG TYR B 147 158.208 197.723 224.194 1.00 27.50 C +ATOM 10575 CD1 TYR B 147 158.678 197.715 225.500 1.00 33.98 C +ATOM 10576 CD2 TYR B 147 157.688 196.545 223.679 1.00 28.34 C +ATOM 10577 CE1 TYR B 147 158.604 196.574 226.280 1.00 33.99 C +ATOM 10578 CE2 TYR B 147 157.609 195.401 224.451 1.00 34.41 C +ATOM 10579 CZ TYR B 147 158.071 195.421 225.751 1.00 32.97 C +ATOM 10580 OH TYR B 147 157.998 194.285 226.524 1.00 29.32 O +ATOM 10581 H TYR B 147 156.359 198.712 221.844 1.00 27.58 H +ATOM 10582 HA TYR B 147 156.755 200.021 224.138 1.00 24.63 H +ATOM 10583 HB2 TYR B 147 158.545 198.667 222.442 1.00 30.41 H +ATOM 10584 HB3 TYR B 147 159.062 199.482 223.692 1.00 30.41 H +ATOM 10585 HD1 TYR B 147 159.041 198.492 225.860 1.00 40.77 H +ATOM 10586 HD2 TYR B 147 157.378 196.527 222.803 1.00 34.01 H +ATOM 10587 HE1 TYR B 147 158.914 196.586 227.157 1.00 40.79 H +ATOM 10588 HE2 TYR B 147 157.250 194.621 224.095 1.00 41.29 H +ATOM 10589 HH TYR B 147 158.311 194.438 227.289 1.00 35.18 H +ATOM 10590 N TYR B 148 157.863 202.159 223.601 1.00 21.55 N +ATOM 10591 CA TYR B 148 158.800 203.225 223.289 1.00 16.50 C +ATOM 10592 C TYR B 148 160.167 202.570 223.130 1.00 21.74 C +ATOM 10593 O TYR B 148 160.497 201.649 223.877 1.00 27.80 O +ATOM 10594 CB TYR B 148 158.862 204.282 224.391 1.00 18.56 C +ATOM 10595 CG TYR B 148 157.675 205.210 224.488 1.00 29.04 C +ATOM 10596 CD1 TYR B 148 157.367 206.093 223.463 1.00 21.83 C +ATOM 10597 CD2 TYR B 148 156.888 205.232 225.631 1.00 26.56 C +ATOM 10598 CE1 TYR B 148 156.292 206.952 223.565 1.00 28.13 C +ATOM 10599 CE2 TYR B 148 155.817 206.086 225.741 1.00 27.61 C +ATOM 10600 CZ TYR B 148 155.523 206.947 224.710 1.00 29.02 C +ATOM 10601 OH TYR B 148 154.449 207.797 224.827 1.00 29.09 O +ATOM 10602 H TYR B 148 157.521 202.202 224.388 1.00 25.86 H +ATOM 10603 HA TYR B 148 158.553 203.651 222.454 1.00 19.80 H +ATOM 10604 HB2 TYR B 148 158.945 203.829 225.244 1.00 22.27 H +ATOM 10605 HB3 TYR B 148 159.646 204.833 224.241 1.00 22.27 H +ATOM 10606 HD1 TYR B 148 157.886 206.098 222.691 1.00 26.20 H +ATOM 10607 HD2 TYR B 148 157.085 204.654 226.332 1.00 31.87 H +ATOM 10608 HE1 TYR B 148 156.090 207.535 222.869 1.00 33.75 H +ATOM 10609 HE2 TYR B 148 155.296 206.084 226.511 1.00 33.13 H +ATOM 10610 HH TYR B 148 154.075 207.686 225.571 1.00 34.91 H +ATOM 10611 N THR B 149 160.962 203.029 222.171 1.00 19.70 N +ATOM 10612 CA THR B 149 162.316 202.508 222.015 1.00 20.42 C +ATOM 10613 C THR B 149 163.253 203.269 222.951 1.00 17.62 C +ATOM 10614 O THR B 149 162.829 204.200 223.631 1.00 19.22 O +ATOM 10615 CB THR B 149 162.798 202.600 220.548 1.00 18.85 C +ATOM 10616 OG1 THR B 149 163.929 201.742 220.350 1.00 24.19 O +ATOM 10617 CG2 THR B 149 163.142 204.035 220.158 1.00 17.87 C +ATOM 10618 H THR B 149 160.745 203.636 221.603 1.00 23.65 H +ATOM 10619 HA THR B 149 162.326 201.574 222.275 1.00 24.51 H +ATOM 10620 HB THR B 149 162.080 202.303 219.967 1.00 22.62 H +ATOM 10621 HG1 THR B 149 164.557 201.972 220.859 1.00 29.02 H +ATOM 10622 HG21 THR B 149 163.440 204.065 219.235 1.00 21.45 H +ATOM 10623 HG22 THR B 149 162.360 204.601 220.255 1.00 21.45 H +ATOM 10624 HG23 THR B 149 163.849 204.373 220.729 1.00 21.45 H +ATOM 10625 N ARG B 150 164.515 202.856 222.997 1.00 23.38 N +ATOM 10626 CA ARG B 150 165.482 203.427 223.927 1.00 26.11 C +ATOM 10627 C ARG B 150 166.817 203.763 223.269 1.00 23.07 C +ATOM 10628 O ARG B 150 167.386 202.956 222.535 1.00 26.35 O +ATOM 10629 CB ARG B 150 165.711 202.459 225.087 1.00 22.28 C +ATOM 10630 CG ARG B 150 164.541 202.372 226.042 1.00 17.93 C +ATOM 10631 CD ARG B 150 164.507 203.571 226.969 1.00 22.72 C +ATOM 10632 NE ARG B 150 165.484 203.438 228.045 1.00 29.85 N +ATOM 10633 CZ ARG B 150 165.253 202.819 229.198 1.00 25.68 C +ATOM 10634 NH1 ARG B 150 164.070 202.272 229.445 1.00 24.19 N +ATOM 10635 NH2 ARG B 150 166.209 202.745 230.112 1.00 27.03 N +ATOM 10636 H ARG B 150 164.840 202.239 222.493 1.00 28.05 H +ATOM 10637 HA ARG B 150 165.117 204.248 224.293 1.00 31.33 H +ATOM 10638 HB2 ARG B 150 165.870 201.572 224.729 1.00 26.74 H +ATOM 10639 HB3 ARG B 150 166.486 202.753 225.592 1.00 26.74 H +ATOM 10640 HG2 ARG B 150 163.714 202.353 225.536 1.00 21.51 H +ATOM 10641 HG3 ARG B 150 164.625 201.570 226.581 1.00 21.51 H +ATOM 10642 HD2 ARG B 150 164.717 204.373 226.465 1.00 27.26 H +ATOM 10643 HD3 ARG B 150 163.625 203.645 227.366 1.00 27.26 H +ATOM 10644 HE ARG B 150 166.262 203.784 227.925 1.00 35.82 H +ATOM 10645 HH11 ARG B 150 163.445 202.315 228.855 1.00 29.03 H +ATOM 10646 HH12 ARG B 150 163.928 201.874 230.194 1.00 29.03 H +ATOM 10647 HH21 ARG B 150 166.977 203.099 229.959 1.00 32.44 H +ATOM 10648 HH22 ARG B 150 166.059 202.348 230.860 1.00 32.44 H +ATOM 10649 N ALA B 151 167.305 204.969 223.541 1.00 20.89 N +ATOM 10650 CA ALA B 151 168.586 205.421 223.022 1.00 27.47 C +ATOM 10651 C ALA B 151 169.719 204.767 223.799 1.00 29.20 C +ATOM 10652 O ALA B 151 170.745 204.398 223.226 1.00 32.73 O +ATOM 10653 CB ALA B 151 168.689 206.934 223.097 1.00 25.45 C +ATOM 10654 H ALA B 151 166.906 205.550 224.033 1.00 25.07 H +ATOM 10655 HA ALA B 151 168.664 205.157 222.091 1.00 32.96 H +ATOM 10656 HB1 ALA B 151 169.550 207.210 222.746 1.00 30.54 H +ATOM 10657 HB2 ALA B 151 167.975 207.326 222.570 1.00 30.54 H +ATOM 10658 HB3 ALA B 151 168.606 207.210 224.024 1.00 30.54 H +ATOM 10659 N LEU B 152 169.526 204.635 225.108 1.00 22.59 N +ATOM 10660 CA LEU B 152 170.434 203.866 225.951 1.00 30.34 C +ATOM 10661 C LEU B 152 169.687 202.687 226.558 1.00 29.59 C +ATOM 10662 O LEU B 152 168.531 202.825 226.957 1.00 26.07 O +ATOM 10663 CB LEU B 152 171.035 204.736 227.058 1.00 32.20 C +ATOM 10664 CG LEU B 152 172.259 205.588 226.704 1.00 31.37 C +ATOM 10665 CD1 LEU B 152 172.667 206.438 227.898 1.00 26.73 C +ATOM 10666 CD2 LEU B 152 173.431 204.724 226.243 1.00 28.30 C +ATOM 10667 H LEU B 152 168.868 204.985 225.536 1.00 27.11 H +ATOM 10668 HA LEU B 152 171.160 203.520 225.408 1.00 36.41 H +ATOM 10669 HB2 LEU B 152 170.346 205.345 227.368 1.00 38.64 H +ATOM 10670 HB3 LEU B 152 171.297 204.154 227.788 1.00 38.64 H +ATOM 10671 HG LEU B 152 172.026 206.187 225.977 1.00 37.64 H +ATOM 10672 HD11 LEU B 152 173.442 206.969 227.656 1.00 32.07 H +ATOM 10673 HD12 LEU B 152 171.929 207.018 228.138 1.00 32.07 H +ATOM 10674 HD13 LEU B 152 172.885 205.853 228.641 1.00 32.07 H +ATOM 10675 HD21 LEU B 152 174.182 205.299 226.030 1.00 33.96 H +ATOM 10676 HD22 LEU B 152 173.673 204.115 226.958 1.00 33.96 H +ATOM 10677 HD23 LEU B 152 173.163 204.223 225.457 1.00 33.96 H +ATOM 10678 N PRO B 153 170.340 201.517 226.628 1.00 31.87 N +ATOM 10679 CA PRO B 153 169.654 200.352 227.193 1.00 30.41 C +ATOM 10680 C PRO B 153 169.339 200.536 228.674 1.00 30.75 C +ATOM 10681 O PRO B 153 170.011 201.323 229.340 1.00 31.09 O +ATOM 10682 CB PRO B 153 170.659 199.213 226.982 1.00 31.41 C +ATOM 10683 CG PRO B 153 171.986 199.885 226.872 1.00 31.00 C +ATOM 10684 CD PRO B 153 171.718 201.202 226.214 1.00 31.04 C +ATOM 10685 HA PRO B 153 168.838 200.163 226.705 1.00 36.49 H +ATOM 10686 HB2 PRO B 153 170.639 198.614 227.745 1.00 37.69 H +ATOM 10687 HB3 PRO B 153 170.446 198.737 226.165 1.00 37.69 H +ATOM 10688 HG2 PRO B 153 172.360 200.015 227.757 1.00 37.20 H +ATOM 10689 HG3 PRO B 153 172.580 199.345 226.326 1.00 37.20 H +ATOM 10690 HD2 PRO B 153 172.333 201.876 226.544 1.00 37.25 H +ATOM 10691 HD3 PRO B 153 171.770 201.115 225.249 1.00 37.25 H +ATOM 10692 N PRO B 154 168.322 199.824 229.184 1.00 30.55 N +ATOM 10693 CA PRO B 154 168.015 199.877 230.616 1.00 40.36 C +ATOM 10694 C PRO B 154 169.163 199.368 231.470 1.00 42.10 C +ATOM 10695 O PRO B 154 169.942 198.527 231.021 1.00 43.12 O +ATOM 10696 CB PRO B 154 166.791 198.964 230.751 1.00 26.95 C +ATOM 10697 CG PRO B 154 166.836 198.084 229.556 1.00 37.76 C +ATOM 10698 CD PRO B 154 167.405 198.927 228.464 1.00 34.72 C +ATOM 10699 HA PRO B 154 167.781 200.780 230.884 1.00 48.43 H +ATOM 10700 HB2 PRO B 154 166.860 198.441 231.565 1.00 32.35 H +ATOM 10701 HB3 PRO B 154 165.982 199.499 230.753 1.00 32.35 H +ATOM 10702 HG2 PRO B 154 167.408 197.321 229.733 1.00 45.31 H +ATOM 10703 HG3 PRO B 154 165.938 197.793 229.331 1.00 45.31 H +ATOM 10704 HD2 PRO B 154 167.894 198.378 227.831 1.00 41.67 H +ATOM 10705 HD3 PRO B 154 166.704 199.436 228.028 1.00 41.67 H +ATOM 10706 N VAL B 155 169.266 199.881 232.687 1.00 49.91 N +ATOM 10707 CA VAL B 155 170.234 199.369 233.643 1.00 48.11 C +ATOM 10708 C VAL B 155 169.837 197.932 233.975 1.00 45.15 C +ATOM 10709 O VAL B 155 168.660 197.662 234.203 1.00 48.90 O +ATOM 10710 CB VAL B 155 170.282 200.222 234.923 1.00 44.26 C +ATOM 10711 CG1 VAL B 155 171.362 199.715 235.866 1.00 55.93 C +ATOM 10712 CG2 VAL B 155 170.528 201.682 234.575 1.00 36.52 C +ATOM 10713 H VAL B 155 168.785 200.529 232.985 1.00 59.89 H +ATOM 10714 HA VAL B 155 171.117 199.362 233.242 1.00 57.74 H +ATOM 10715 HB VAL B 155 169.429 200.160 235.379 1.00 53.11 H +ATOM 10716 HG11 VAL B 155 171.371 200.268 236.662 1.00 67.12 H +ATOM 10717 HG12 VAL B 155 171.166 198.795 236.104 1.00 67.12 H +ATOM 10718 HG13 VAL B 155 172.221 199.764 235.417 1.00 67.12 H +ATOM 10719 HG21 VAL B 155 170.555 202.201 235.394 1.00 43.82 H +ATOM 10720 HG22 VAL B 155 171.375 201.757 234.107 1.00 43.82 H +ATOM 10721 HG23 VAL B 155 169.807 201.996 234.007 1.00 43.82 H +ATOM 10722 N PRO B 156 170.804 196.997 233.981 1.00 42.93 N +ATOM 10723 CA PRO B 156 170.468 195.605 234.310 1.00 56.70 C +ATOM 10724 C PRO B 156 169.768 195.465 235.664 1.00 65.41 C +ATOM 10725 O PRO B 156 169.994 196.275 236.562 1.00 62.54 O +ATOM 10726 CB PRO B 156 171.832 194.912 234.319 1.00 62.50 C +ATOM 10727 CG PRO B 156 172.662 195.722 233.393 1.00 49.03 C +ATOM 10728 CD PRO B 156 172.214 197.136 233.574 1.00 44.39 C +ATOM 10729 HA PRO B 156 169.912 195.216 233.616 1.00 68.04 H +ATOM 10730 HB2 PRO B 156 172.201 194.925 235.216 1.00 75.00 H +ATOM 10731 HB3 PRO B 156 171.741 194.002 233.995 1.00 75.00 H +ATOM 10732 HG2 PRO B 156 173.598 195.628 233.631 1.00 58.84 H +ATOM 10733 HG3 PRO B 156 172.511 195.430 232.481 1.00 58.84 H +ATOM 10734 HD2 PRO B 156 172.727 197.567 234.275 1.00 53.27 H +ATOM 10735 HD3 PRO B 156 172.277 197.621 232.736 1.00 53.27 H +ATOM 10736 N ASP B 157 168.924 194.446 235.795 1.00 58.11 N +ATOM 10737 CA ASP B 157 168.105 194.264 236.991 1.00 80.78 C +ATOM 10738 C ASP B 157 168.930 194.070 238.263 1.00 89.47 C +ATOM 10739 O ASP B 157 168.525 194.501 239.343 1.00 61.39 O +ATOM 10740 CB ASP B 157 167.173 193.062 236.807 1.00 80.58 C +ATOM 10741 CG ASP B 157 165.915 193.408 236.033 1.00 88.98 C +ATOM 10742 OD1 ASP B 157 165.922 194.413 235.292 1.00 83.29 O +ATOM 10743 OD2 ASP B 157 164.916 192.668 236.165 1.00 88.67 O +ATOM 10744 H ASP B 157 168.806 193.839 235.198 1.00 69.73 H +ATOM 10745 HA ASP B 157 167.552 195.052 237.114 1.00 96.94 H +ATOM 10746 HB2 ASP B 157 167.644 192.369 236.319 1.00 96.69 H +ATOM 10747 HB3 ASP B 157 166.907 192.732 237.679 1.00 96.69 H +ATOM 10748 N ASP B 158 170.086 193.429 238.126 1.00 73.87 N +ATOM 10749 CA ASP B 158 170.877 193.001 239.279 1.00 65.90 C +ATOM 10750 C ASP B 158 172.150 193.826 239.464 1.00 72.20 C +ATOM 10751 O ASP B 158 173.253 193.277 239.479 1.00 84.61 O +ATOM 10752 CB ASP B 158 171.243 191.522 239.135 1.00 83.71 C +ATOM 10753 CG ASP B 158 172.003 191.234 237.855 1.00 94.60 C +ATOM 10754 OD1 ASP B 158 171.707 191.883 236.829 1.00 93.92 O +ATOM 10755 OD2 ASP B 158 172.901 190.367 237.877 1.00 99.60 O +ATOM 10756 H ASP B 158 170.439 193.226 237.369 1.00 88.64 H +ATOM 10757 HA ASP B 158 170.340 193.099 240.081 1.00 79.08 H +ATOM 10758 HB2 ASP B 158 171.802 191.260 239.883 1.00100.46 H +ATOM 10759 HB3 ASP B 158 170.429 190.994 239.126 1.00100.46 H +ATOM 10760 N CYS B 159 171.997 195.136 239.623 1.00 66.14 N +ATOM 10761 CA CYS B 159 173.144 196.021 239.799 1.00 60.04 C +ATOM 10762 C CYS B 159 173.263 196.490 241.248 1.00 55.48 C +ATOM 10763 O CYS B 159 172.267 196.548 241.969 1.00 52.29 O +ATOM 10764 CB CYS B 159 173.035 197.220 238.858 1.00 68.33 C +ATOM 10765 SG CYS B 159 173.158 196.784 237.108 1.00 59.36 S +ATOM 10766 H CYS B 159 171.237 195.539 239.633 1.00 79.37 H +ATOM 10767 HA CYS B 159 173.953 195.536 239.574 1.00 72.05 H +ATOM 10768 HB2 CYS B 159 172.177 197.651 238.998 1.00 81.99 H +ATOM 10769 HB3 CYS B 159 173.752 197.842 239.060 1.00 81.99 H +ATOM 10770 N PRO B 160 174.489 196.822 241.685 1.00 52.03 N +ATOM 10771 CA PRO B 160 174.708 197.257 243.071 1.00 50.53 C +ATOM 10772 C PRO B 160 174.033 198.588 243.407 1.00 52.25 C +ATOM 10773 O PRO B 160 173.768 198.847 244.579 1.00 68.74 O +ATOM 10774 CB PRO B 160 176.236 197.373 243.168 1.00 47.91 C +ATOM 10775 CG PRO B 160 176.716 197.479 241.774 1.00 41.26 C +ATOM 10776 CD PRO B 160 175.751 196.715 240.935 1.00 51.22 C +ATOM 10777 HA PRO B 160 174.399 196.576 243.690 1.00 60.64 H +ATOM 10778 HB2 PRO B 160 176.470 198.169 243.671 1.00 57.49 H +ATOM 10779 HB3 PRO B 160 176.596 196.580 243.595 1.00 57.49 H +ATOM 10780 HG2 PRO B 160 176.732 198.411 241.508 1.00 49.51 H +ATOM 10781 HG3 PRO B 160 177.603 197.091 241.708 1.00 49.51 H +ATOM 10782 HD2 PRO B 160 175.661 197.128 240.061 1.00 61.46 H +ATOM 10783 HD3 PRO B 160 176.024 195.787 240.863 1.00 61.46 H +ATOM 10784 N THR B 161 173.770 199.417 242.399 1.00 57.52 N +ATOM 10785 CA THR B 161 172.979 200.629 242.588 1.00 51.01 C +ATOM 10786 C THR B 161 171.968 200.731 241.452 1.00 52.25 C +ATOM 10787 O THR B 161 172.166 200.135 240.395 1.00 55.58 O +ATOM 10788 CB THR B 161 173.849 201.905 242.624 1.00 54.34 C +ATOM 10789 OG1 THR B 161 174.169 202.313 241.289 1.00 52.02 O +ATOM 10790 CG2 THR B 161 175.132 201.671 243.410 1.00 58.13 C +ATOM 10791 H THR B 161 174.041 199.299 241.592 1.00 69.03 H +ATOM 10792 HA THR B 161 172.493 200.568 243.425 1.00 61.21 H +ATOM 10793 HB THR B 161 173.353 202.614 243.062 1.00 65.21 H +ATOM 10794 HG1 THR B 161 174.642 203.007 241.306 1.00 62.43 H +ATOM 10795 HG21 THR B 161 175.666 202.481 243.423 1.00 69.76 H +ATOM 10796 HG22 THR B 161 174.920 201.419 244.323 1.00 69.76 H +ATOM 10797 HG23 THR B 161 175.648 200.960 242.999 1.00 69.76 H +ATOM 10798 N PRO B 162 170.871 201.474 241.666 1.00 55.15 N +ATOM 10799 CA PRO B 162 169.823 201.548 240.640 1.00 68.31 C +ATOM 10800 C PRO B 162 170.284 202.140 239.306 1.00 54.56 C +ATOM 10801 O PRO B 162 169.599 201.946 238.303 1.00 58.14 O +ATOM 10802 CB PRO B 162 168.753 202.441 241.289 1.00 63.81 C +ATOM 10803 CG PRO B 162 169.404 203.077 242.467 1.00 56.19 C +ATOM 10804 CD PRO B 162 170.473 202.150 242.912 1.00 50.46 C +ATOM 10805 HA PRO B 162 169.448 200.667 240.483 1.00 81.97 H +ATOM 10806 HB2 PRO B 162 168.465 203.116 240.653 1.00 76.57 H +ATOM 10807 HB3 PRO B 162 168.001 201.895 241.569 1.00 76.57 H +ATOM 10808 HG2 PRO B 162 169.784 203.930 242.204 1.00 67.42 H +ATOM 10809 HG3 PRO B 162 168.748 203.201 243.170 1.00 67.42 H +ATOM 10810 HD2 PRO B 162 171.220 202.646 243.282 1.00 60.55 H +ATOM 10811 HD3 PRO B 162 170.121 201.507 243.548 1.00 60.55 H +ATOM 10812 N LEU B 163 171.418 202.837 239.289 1.00 51.04 N +ATOM 10813 CA LEU B 163 171.932 203.440 238.058 1.00 49.70 C +ATOM 10814 C LEU B 163 173.157 202.709 237.515 1.00 41.37 C +ATOM 10815 O LEU B 163 173.722 203.109 236.501 1.00 35.94 O +ATOM 10816 CB LEU B 163 172.271 204.915 238.289 1.00 43.81 C +ATOM 10817 CG LEU B 163 171.083 205.859 238.503 1.00 44.53 C +ATOM 10818 CD1 LEU B 163 171.573 207.271 238.767 1.00 45.59 C +ATOM 10819 CD2 LEU B 163 170.145 205.843 237.307 1.00 47.78 C +ATOM 10820 H LEU B 163 171.911 202.976 239.980 1.00 61.25 H +ATOM 10821 HA LEU B 163 171.239 203.399 237.379 1.00 59.64 H +ATOM 10822 HB2 LEU B 163 172.834 204.978 239.077 1.00 52.57 H +ATOM 10823 HB3 LEU B 163 172.761 205.239 237.517 1.00 52.57 H +ATOM 10824 HG LEU B 163 170.582 205.565 239.280 1.00 53.43 H +ATOM 10825 HD11 LEU B 163 170.807 207.851 238.899 1.00 54.71 H +ATOM 10826 HD12 LEU B 163 172.128 207.269 239.562 1.00 54.71 H +ATOM 10827 HD13 LEU B 163 172.090 207.573 238.004 1.00 54.71 H +ATOM 10828 HD21 LEU B 163 169.408 206.449 237.477 1.00 57.33 H +ATOM 10829 HD22 LEU B 163 170.634 206.129 236.520 1.00 57.33 H +ATOM 10830 HD23 LEU B 163 169.811 204.941 237.181 1.00 57.33 H +ATOM 10831 N GLY B 164 173.554 201.634 238.185 1.00 49.86 N +ATOM 10832 CA GLY B 164 174.712 200.860 237.778 1.00 56.21 C +ATOM 10833 C GLY B 164 175.625 200.580 238.953 1.00 53.48 C +ATOM 10834 O GLY B 164 175.479 199.565 239.630 1.00 58.45 O +ATOM 10835 H GLY B 164 173.162 201.330 238.888 1.00 59.83 H +ATOM 10836 HA2 GLY B 164 174.425 200.015 237.399 1.00 67.45 H +ATOM 10837 HA3 GLY B 164 175.212 201.349 237.106 1.00 67.45 H +ATOM 10838 N VAL B 165 176.567 201.486 239.198 1.00 51.78 N +ATOM 10839 CA VAL B 165 177.476 201.362 240.332 1.00 52.19 C +ATOM 10840 C VAL B 165 177.676 202.692 241.058 1.00 54.08 C +ATOM 10841 O VAL B 165 178.170 202.717 242.184 1.00 64.27 O +ATOM 10842 CB VAL B 165 178.850 200.817 239.892 1.00 40.15 C +ATOM 10843 CG1 VAL B 165 178.708 199.406 239.337 1.00 36.83 C +ATOM 10844 CG2 VAL B 165 179.490 201.734 238.865 1.00 43.56 C +ATOM 10845 H VAL B 165 176.702 202.187 238.717 1.00 62.14 H +ATOM 10846 HA VAL B 165 177.097 200.733 240.967 1.00 62.63 H +ATOM 10847 HB VAL B 165 179.436 200.777 240.664 1.00 48.18 H +ATOM 10848 HG11 VAL B 165 179.582 199.084 239.067 1.00 44.20 H +ATOM 10849 HG12 VAL B 165 178.341 198.832 240.027 1.00 44.20 H +ATOM 10850 HG13 VAL B 165 178.112 199.427 238.572 1.00 44.20 H +ATOM 10851 HG21 VAL B 165 180.350 201.368 238.607 1.00 52.27 H +ATOM 10852 HG22 VAL B 165 178.909 201.793 238.090 1.00 52.27 H +ATOM 10853 HG23 VAL B 165 179.608 202.613 239.257 1.00 52.27 H +ATOM 10854 N LYS B 166 177.290 203.790 240.416 1.00 51.06 N +ATOM 10855 CA LYS B 166 177.423 205.114 241.015 1.00 42.95 C +ATOM 10856 C LYS B 166 176.211 205.467 241.873 1.00 44.37 C +ATOM 10857 O LYS B 166 175.118 204.942 241.671 1.00 41.93 O +ATOM 10858 CB LYS B 166 177.609 206.182 239.928 1.00 51.35 C +ATOM 10859 CG LYS B 166 178.837 205.998 239.043 1.00 49.81 C +ATOM 10860 CD LYS B 166 180.070 205.627 239.854 1.00 52.55 C +ATOM 10861 CE LYS B 166 181.344 206.154 239.225 1.00 51.92 C +ATOM 10862 NZ LYS B 166 181.648 207.529 239.708 1.00 73.22 N +ATOM 10863 H LYS B 166 176.947 203.796 239.628 1.00 61.28 H +ATOM 10864 HA LYS B 166 178.208 205.126 241.584 1.00 51.54 H +ATOM 10865 HB2 LYS B 166 176.830 206.172 239.350 1.00 61.62 H +ATOM 10866 HB3 LYS B 166 177.685 207.048 240.357 1.00 61.62 H +ATOM 10867 HG2 LYS B 166 178.668 205.287 238.406 1.00 59.77 H +ATOM 10868 HG3 LYS B 166 179.021 206.829 238.577 1.00 59.77 H +ATOM 10869 HD2 LYS B 166 179.993 206.006 240.743 1.00 63.06 H +ATOM 10870 HD3 LYS B 166 180.137 204.661 239.907 1.00 63.06 H +ATOM 10871 HE2 LYS B 166 182.085 205.575 239.465 1.00 62.30 H +ATOM 10872 HE3 LYS B 166 181.239 206.185 238.261 1.00 62.30 H +ATOM 10873 HZ1 LYS B 166 182.397 207.825 239.330 1.00 87.86 H +ATOM 10874 HZ2 LYS B 166 180.981 208.079 239.496 1.00 87.86 H +ATOM 10875 HZ3 LYS B 166 181.751 207.525 240.592 1.00 87.86 H +ATOM 10876 N GLY B 167 176.422 206.363 242.831 1.00 56.32 N +ATOM 10877 CA GLY B 167 175.352 206.836 243.688 1.00 52.37 C +ATOM 10878 C GLY B 167 175.056 205.892 244.836 1.00 66.12 C +ATOM 10879 O GLY B 167 175.629 204.805 244.927 1.00 60.81 O +ATOM 10880 H GLY B 167 177.187 206.715 243.003 1.00 67.59 H +ATOM 10881 HA2 GLY B 167 175.595 207.700 244.058 1.00 62.84 H +ATOM 10882 HA3 GLY B 167 174.543 206.944 243.164 1.00 62.84 H +ATOM 10883 N LYS B 168 174.153 206.311 245.716 1.00 80.21 N +ATOM 10884 CA LYS B 168 173.767 205.511 246.871 1.00 62.07 C +ATOM 10885 C LYS B 168 172.952 204.294 246.444 1.00 53.22 C +ATOM 10886 O LYS B 168 172.651 204.122 245.264 1.00 59.41 O +ATOM 10887 CB LYS B 168 172.969 206.359 247.863 1.00 59.73 C +ATOM 10888 CG LYS B 168 173.684 207.625 248.309 1.00 48.13 C +ATOM 10889 H LYS B 168 173.744 207.066 245.665 1.00 96.26 H +ATOM 10890 HA LYS B 168 174.567 205.196 247.320 1.00 74.49 H +ATOM 10891 HB2 LYS B 168 172.133 206.622 247.446 1.00 71.68 H +ATOM 10892 HB3 LYS B 168 172.788 205.826 248.653 1.00 71.68 H +ATOM 10893 N LYS B 169 172.599 203.453 247.411 1.00 52.89 N +ATOM 10894 CA LYS B 169 171.846 202.234 247.132 1.00 50.37 C +ATOM 10895 C LYS B 169 170.398 202.549 246.760 1.00 52.90 C +ATOM 10896 O LYS B 169 169.751 201.781 246.051 1.00 45.94 O +ATOM 10897 CB LYS B 169 171.883 201.296 248.340 1.00 49.26 C +ATOM 10898 H LYS B 169 172.784 203.566 248.244 1.00 63.47 H +ATOM 10899 HA LYS B 169 172.255 201.775 246.382 1.00 60.44 H +ATOM 10900 N GLN B 170 169.897 203.675 247.260 1.00 52.54 N +ATOM 10901 CA GLN B 170 168.560 204.154 246.921 1.00 56.45 C +ATOM 10902 C GLN B 170 168.632 205.578 246.392 1.00 63.53 C +ATOM 10903 O GLN B 170 169.378 206.407 246.913 1.00 62.27 O +ATOM 10904 CB GLN B 170 167.631 204.097 248.136 1.00 53.34 C +ATOM 10905 CG GLN B 170 167.259 202.679 248.572 1.00 71.99 C +ATOM 10906 CD GLN B 170 167.751 202.316 249.965 1.00 94.64 C +ATOM 10907 OE1 GLN B 170 168.583 203.009 250.552 1.00 81.19 O +ATOM 10908 NE2 GLN B 170 167.234 201.214 250.501 1.00 92.62 N +ATOM 10909 H GLN B 170 170.319 204.188 247.807 1.00 63.05 H +ATOM 10910 HA GLN B 170 168.185 203.591 246.226 1.00 67.74 H +ATOM 10911 HB2 GLN B 170 168.069 204.531 248.884 1.00 64.00 H +ATOM 10912 HB3 GLN B 170 166.809 204.565 247.921 1.00 64.00 H +ATOM 10913 HG2 GLN B 170 166.293 202.594 248.567 1.00 86.39 H +ATOM 10914 HG3 GLN B 170 167.649 202.048 247.946 1.00 86.39 H +ATOM 10915 HE21 GLN B 170 166.656 200.753 250.063 1.00111.14 H +ATOM 10916 HE22 GLN B 170 167.477 200.963 251.287 1.00111.14 H +ATOM 10917 N LEU B 171 167.856 205.856 245.351 1.00 76.94 N +ATOM 10918 CA LEU B 171 167.808 207.192 244.775 1.00 68.43 C +ATOM 10919 C LEU B 171 167.077 208.148 245.712 1.00 51.93 C +ATOM 10920 O LEU B 171 166.321 207.711 246.578 1.00 54.09 O +ATOM 10921 CB LEU B 171 167.125 207.158 243.407 1.00 65.10 C +ATOM 10922 CG LEU B 171 167.895 206.411 242.316 1.00 63.42 C +ATOM 10923 CD1 LEU B 171 166.996 206.132 241.123 1.00 52.94 C +ATOM 10924 CD2 LEU B 171 169.122 207.204 241.887 1.00 49.62 C +ATOM 10925 H LEU B 171 167.346 205.285 244.959 1.00 92.33 H +ATOM 10926 HA LEU B 171 168.713 207.520 244.654 1.00 82.12 H +ATOM 10927 HB2 LEU B 171 166.262 206.725 243.504 1.00 78.12 H +ATOM 10928 HB3 LEU B 171 166.999 208.070 243.103 1.00 78.12 H +ATOM 10929 HG LEU B 171 168.197 205.560 242.669 1.00 76.10 H +ATOM 10930 HD11 LEU B 171 167.507 205.659 240.447 1.00 63.53 H +ATOM 10931 HD12 LEU B 171 166.247 205.589 241.413 1.00 63.53 H +ATOM 10932 HD13 LEU B 171 166.676 206.975 240.766 1.00 63.53 H +ATOM 10933 HD21 LEU B 171 169.591 206.710 241.196 1.00 59.55 H +ATOM 10934 HD22 LEU B 171 168.837 208.065 241.543 1.00 59.55 H +ATOM 10935 HD23 LEU B 171 169.701 207.330 242.655 1.00 59.55 H +ATOM 10936 N PRO B 172 167.301 209.460 245.543 1.00 45.46 N +ATOM 10937 CA PRO B 172 166.623 210.447 246.391 1.00 43.61 C +ATOM 10938 C PRO B 172 165.106 210.365 246.277 1.00 53.08 C +ATOM 10939 O PRO B 172 164.589 209.949 245.241 1.00 59.13 O +ATOM 10940 CB PRO B 172 167.126 211.790 245.853 1.00 45.30 C +ATOM 10941 CG PRO B 172 168.327 211.480 245.045 1.00 46.68 C +ATOM 10942 CD PRO B 172 168.182 210.091 244.547 1.00 52.45 C +ATOM 10943 HA PRO B 172 166.889 210.345 247.318 1.00 52.34 H +ATOM 10944 HB2 PRO B 172 166.439 212.197 245.302 1.00 54.36 H +ATOM 10945 HB3 PRO B 172 167.356 212.371 246.595 1.00 54.36 H +ATOM 10946 HG2 PRO B 172 168.380 212.099 244.301 1.00 56.01 H +ATOM 10947 HG3 PRO B 172 169.116 211.556 245.603 1.00 56.01 H +ATOM 10948 HD2 PRO B 172 167.762 210.087 243.673 1.00 62.94 H +ATOM 10949 HD3 PRO B 172 169.045 209.647 244.529 1.00 62.94 H +ATOM 10950 N ASP B 173 164.408 210.764 247.333 1.00 52.15 N +ATOM 10951 CA ASP B 173 162.952 210.803 247.315 1.00 55.14 C +ATOM 10952 C ASP B 173 162.469 211.712 246.187 1.00 53.96 C +ATOM 10953 O ASP B 173 162.929 212.847 246.055 1.00 46.53 O +ATOM 10954 CB ASP B 173 162.416 211.289 248.663 1.00 54.01 C +ATOM 10955 CG ASP B 173 160.924 211.080 248.806 1.00 59.52 C +ATOM 10956 OD1 ASP B 173 160.521 210.054 249.393 1.00 66.20 O +ATOM 10957 OD2 ASP B 173 160.153 211.940 248.331 1.00 62.77 O +ATOM 10958 H ASP B 173 164.756 211.018 248.077 1.00 62.58 H +ATOM 10959 HA ASP B 173 162.610 209.910 247.155 1.00 66.16 H +ATOM 10960 HB2 ASP B 173 162.858 210.798 249.375 1.00 64.82 H +ATOM 10961 HB3 ASP B 173 162.597 212.238 248.752 1.00 64.82 H +ATOM 10962 N SER B 174 161.554 211.196 245.371 1.00 49.36 N +ATOM 10963 CA SER B 174 161.018 211.931 244.229 1.00 54.41 C +ATOM 10964 C SER B 174 160.498 213.306 244.629 1.00 58.98 C +ATOM 10965 O SER B 174 160.826 214.313 244.003 1.00 50.59 O +ATOM 10966 CB SER B 174 159.890 211.137 243.568 1.00 49.58 C +ATOM 10967 OG SER B 174 160.339 209.861 243.155 1.00 76.76 O +ATOM 10968 H SER B 174 161.221 210.408 245.461 1.00 59.24 H +ATOM 10969 HA SER B 174 161.722 212.055 243.574 1.00 65.29 H +ATOM 10970 HB2 SER B 174 159.167 211.026 244.206 1.00 59.50 H +ATOM 10971 HB3 SER B 174 159.574 211.626 242.792 1.00 59.50 H +ATOM 10972 HG SER B 174 160.965 209.942 242.602 1.00 92.11 H +ATOM 10973 N ASN B 175 159.686 213.334 245.680 1.00 63.07 N +ATOM 10974 CA ASN B 175 159.050 214.562 246.134 1.00 57.90 C +ATOM 10975 C ASN B 175 160.067 215.576 246.652 1.00 54.35 C +ATOM 10976 O ASN B 175 159.885 216.781 246.487 1.00 47.71 O +ATOM 10977 CB ASN B 175 158.020 214.240 247.217 1.00 63.98 C +ATOM 10978 CG ASN B 175 157.097 215.404 247.508 1.00 79.29 C +ATOM 10979 OD1 ASN B 175 156.247 215.756 246.690 1.00 73.41 O +ATOM 10980 ND2 ASN B 175 157.248 216.000 248.684 1.00 89.02 N +ATOM 10981 H ASN B 175 159.486 212.644 246.152 1.00 75.68 H +ATOM 10982 HA ASN B 175 158.581 214.966 245.387 1.00 69.47 H +ATOM 10983 HB2 ASN B 175 157.477 213.492 246.925 1.00 76.77 H +ATOM 10984 HB3 ASN B 175 158.485 214.014 248.038 1.00 76.77 H +ATOM 10985 HD21 ASN B 175 156.747 216.666 248.896 1.00106.82 H +ATOM 10986 HD22 ASN B 175 157.847 215.720 249.234 1.00106.82 H +ATOM 10987 N GLU B 176 161.135 215.087 247.276 1.00 50.74 N +ATOM 10988 CA GLU B 176 162.204 215.961 247.747 1.00 52.27 C +ATOM 10989 C GLU B 176 162.852 216.706 246.585 1.00 56.09 C +ATOM 10990 O GLU B 176 163.058 217.916 246.658 1.00 54.37 O +ATOM 10991 CB GLU B 176 163.270 215.167 248.507 1.00 59.30 C +ATOM 10992 CG GLU B 176 163.001 215.020 249.999 1.00 68.04 C +ATOM 10993 CD GLU B 176 164.269 214.797 250.804 1.00 88.22 C +ATOM 10994 OE1 GLU B 176 165.231 215.577 250.634 1.00 67.07 O +ATOM 10995 OE2 GLU B 176 164.302 213.844 251.612 1.00 82.38 O +ATOM 10996 H GLU B 176 161.264 214.253 247.438 1.00 60.89 H +ATOM 10997 HA GLU B 176 161.830 216.619 248.354 1.00 62.73 H +ATOM 10998 HB2 GLU B 176 163.322 214.276 248.128 1.00 71.16 H +ATOM 10999 HB3 GLU B 176 164.123 215.617 248.405 1.00 71.16 H +ATOM 11000 HG2 GLU B 176 162.577 215.829 250.325 1.00 81.64 H +ATOM 11001 HG3 GLU B 176 162.417 214.258 250.141 1.00 81.64 H +ATOM 11002 N ILE B 177 163.177 215.976 245.522 1.00 57.51 N +ATOM 11003 CA ILE B 177 163.793 216.563 244.338 1.00 56.34 C +ATOM 11004 C ILE B 177 162.902 217.657 243.761 1.00 53.45 C +ATOM 11005 O ILE B 177 163.363 218.765 243.488 1.00 46.61 O +ATOM 11006 CB ILE B 177 164.065 215.491 243.257 1.00 61.36 C +ATOM 11007 CG1 ILE B 177 165.186 214.556 243.711 1.00 50.42 C +ATOM 11008 CG2 ILE B 177 164.450 216.132 241.919 1.00 57.93 C +ATOM 11009 CD1 ILE B 177 165.228 213.250 242.954 1.00 55.15 C +ATOM 11010 H ILE B 177 163.049 215.127 245.462 1.00 69.01 H +ATOM 11011 HA ILE B 177 164.641 216.964 244.586 1.00 67.60 H +ATOM 11012 HB ILE B 177 163.258 214.968 243.129 1.00 73.64 H +ATOM 11013 HG12 ILE B 177 166.037 215.002 243.581 1.00 60.51 H +ATOM 11014 HG13 ILE B 177 165.061 214.351 244.650 1.00 60.51 H +ATOM 11015 HG21 ILE B 177 164.612 215.431 241.268 1.00 69.51 H +ATOM 11016 HG22 ILE B 177 163.722 216.699 241.620 1.00 69.51 H +ATOM 11017 HG23 ILE B 177 165.253 216.662 242.042 1.00 69.51 H +ATOM 11018 HD11 ILE B 177 165.960 212.712 243.294 1.00 66.18 H +ATOM 11019 HD12 ILE B 177 164.387 212.784 243.082 1.00 66.18 H +ATOM 11020 HD13 ILE B 177 165.363 213.435 242.012 1.00 66.18 H +ATOM 11021 N VAL B 178 161.627 217.332 243.575 1.00 42.95 N +ATOM 11022 CA VAL B 178 160.663 218.272 243.019 1.00 48.91 C +ATOM 11023 C VAL B 178 160.587 219.544 243.856 1.00 52.68 C +ATOM 11024 O VAL B 178 160.649 220.651 243.324 1.00 56.35 O +ATOM 11025 CB VAL B 178 159.260 217.637 242.923 1.00 52.65 C +ATOM 11026 CG1 VAL B 178 158.213 218.672 242.534 1.00 52.59 C +ATOM 11027 CG2 VAL B 178 159.264 216.494 241.917 1.00 54.74 C +ATOM 11028 H VAL B 178 161.293 216.563 243.766 1.00 51.54 H +ATOM 11029 HA VAL B 178 160.943 218.518 242.124 1.00 58.69 H +ATOM 11030 HB VAL B 178 159.016 217.274 243.789 1.00 63.18 H +ATOM 11031 HG11 VAL B 178 157.346 218.240 242.483 1.00 63.10 H +ATOM 11032 HG12 VAL B 178 158.196 219.371 243.207 1.00 63.10 H +ATOM 11033 HG13 VAL B 178 158.447 219.049 241.671 1.00 63.10 H +ATOM 11034 HG21 VAL B 178 158.375 216.110 241.872 1.00 65.69 H +ATOM 11035 HG22 VAL B 178 159.520 216.841 241.047 1.00 65.69 H +ATOM 11036 HG23 VAL B 178 159.901 215.822 242.205 1.00 65.69 H +ATOM 11037 N GLU B 179 160.453 219.381 245.167 1.00 59.68 N +ATOM 11038 CA GLU B 179 160.298 220.518 246.068 1.00 66.40 C +ATOM 11039 C GLU B 179 161.570 221.359 246.170 1.00 56.04 C +ATOM 11040 O GLU B 179 161.504 222.586 246.227 1.00 49.36 O +ATOM 11041 CB GLU B 179 159.889 220.038 247.463 1.00 68.80 C +ATOM 11042 CG GLU B 179 158.477 219.470 247.539 1.00 70.18 C +ATOM 11043 CD GLU B 179 158.104 219.024 248.940 1.00 81.52 C +ATOM 11044 OE1 GLU B 179 158.981 219.049 249.829 1.00 85.10 O +ATOM 11045 OE2 GLU B 179 156.931 218.651 249.153 1.00 84.85 O +ATOM 11046 H GLU B 179 160.449 218.617 245.563 1.00 71.61 H +ATOM 11047 HA GLU B 179 159.591 221.090 245.731 1.00 79.68 H +ATOM 11048 HB2 GLU B 179 160.502 219.341 247.744 1.00 82.56 H +ATOM 11049 HB3 GLU B 179 159.939 220.786 248.077 1.00 82.56 H +ATOM 11050 HG2 GLU B 179 157.846 220.153 247.263 1.00 84.22 H +ATOM 11051 HG3 GLU B 179 158.413 218.701 246.952 1.00 84.22 H +ATOM 11052 N LYS B 180 162.723 220.698 246.185 1.00 56.02 N +ATOM 11053 CA LYS B 180 163.993 221.382 246.425 1.00 52.95 C +ATOM 11054 C LYS B 180 164.607 222.013 245.176 1.00 54.29 C +ATOM 11055 O LYS B 180 165.350 222.988 245.281 1.00 52.86 O +ATOM 11056 CB LYS B 180 165.009 220.411 247.032 1.00 57.90 C +ATOM 11057 CG LYS B 180 164.874 220.207 248.533 1.00 61.58 C +ATOM 11058 CD LYS B 180 165.997 219.328 249.060 1.00 72.43 C +ATOM 11059 CE LYS B 180 166.144 219.435 250.572 1.00 78.08 C +ATOM 11060 NZ LYS B 180 164.961 218.900 251.299 1.00 80.07 N +ATOM 11061 H LYS B 180 162.799 219.851 246.058 1.00 67.23 H +ATOM 11062 HA LYS B 180 163.844 222.092 247.068 1.00 63.54 H +ATOM 11063 HB2 LYS B 180 164.902 219.545 246.608 1.00 69.48 H +ATOM 11064 HB3 LYS B 180 165.902 220.750 246.861 1.00 69.48 H +ATOM 11065 HG2 LYS B 180 164.922 221.067 248.980 1.00 73.89 H +ATOM 11066 HG3 LYS B 180 164.028 219.773 248.724 1.00 73.89 H +ATOM 11067 HD2 LYS B 180 165.807 218.402 248.840 1.00 86.91 H +ATOM 11068 HD3 LYS B 180 166.834 219.603 248.655 1.00 86.91 H +ATOM 11069 HE2 LYS B 180 166.922 218.928 250.851 1.00 93.69 H +ATOM 11070 HE3 LYS B 180 166.249 220.368 250.814 1.00 93.69 H +ATOM 11071 HZ1 LYS B 180 165.083 218.980 252.177 1.00 96.09 H +ATOM 11072 HZ2 LYS B 180 164.231 219.353 251.066 1.00 96.09 H +ATOM 11073 HZ3 LYS B 180 164.845 218.041 251.099 1.00 96.09 H +ATOM 11074 N LEU B 181 164.303 221.462 244.001 1.00 57.06 N +ATOM 11075 CA LEU B 181 165.010 221.841 242.776 1.00 49.34 C +ATOM 11076 C LEU B 181 164.111 222.291 241.626 1.00 41.36 C +ATOM 11077 O LEU B 181 164.567 223.003 240.734 1.00 46.40 O +ATOM 11078 CB LEU B 181 165.869 220.668 242.293 1.00 47.21 C +ATOM 11079 CG LEU B 181 167.005 220.222 243.215 1.00 47.12 C +ATOM 11080 CD1 LEU B 181 167.647 218.949 242.689 1.00 45.59 C +ATOM 11081 CD2 LEU B 181 168.045 221.318 243.355 1.00 50.81 C +ATOM 11082 H LEU B 181 163.693 220.868 243.886 1.00 68.47 H +ATOM 11083 HA LEU B 181 165.609 222.576 242.982 1.00 59.21 H +ATOM 11084 HB2 LEU B 181 165.289 219.902 242.163 1.00 56.65 H +ATOM 11085 HB3 LEU B 181 166.269 220.914 241.445 1.00 56.65 H +ATOM 11086 HG LEU B 181 166.644 220.035 244.096 1.00 56.55 H +ATOM 11087 HD11 LEU B 181 168.363 218.686 243.289 1.00 54.70 H +ATOM 11088 HD12 LEU B 181 166.975 218.250 242.650 1.00 54.70 H +ATOM 11089 HD13 LEU B 181 168.002 219.118 241.803 1.00 54.70 H +ATOM 11090 HD21 LEU B 181 168.751 221.008 243.943 1.00 60.97 H +ATOM 11091 HD22 LEU B 181 168.408 221.521 242.479 1.00 60.97 H +ATOM 11092 HD23 LEU B 181 167.623 222.106 243.730 1.00 60.97 H +ATOM 11093 N LEU B 182 162.845 221.882 241.641 1.00 44.92 N +ATOM 11094 CA LEU B 182 161.975 222.062 240.477 1.00 48.79 C +ATOM 11095 C LEU B 182 160.744 222.931 240.729 1.00 38.90 C +ATOM 11096 O LEU B 182 160.217 223.550 239.805 1.00 38.26 O +ATOM 11097 CB LEU B 182 161.521 220.694 239.960 1.00 44.18 C +ATOM 11098 CG LEU B 182 162.631 219.680 239.672 1.00 41.39 C +ATOM 11099 CD1 LEU B 182 162.028 218.404 239.116 1.00 43.14 C +ATOM 11100 CD2 LEU B 182 163.673 220.246 238.713 1.00 43.31 C +ATOM 11101 H LEU B 182 162.465 221.499 242.310 1.00 53.90 H +ATOM 11102 HA LEU B 182 162.490 222.485 239.772 1.00 58.55 H +ATOM 11103 HB2 LEU B 182 160.933 220.298 240.622 1.00 53.01 H +ATOM 11104 HB3 LEU B 182 161.031 220.828 239.134 1.00 53.01 H +ATOM 11105 HG LEU B 182 163.080 219.461 240.504 1.00 49.67 H +ATOM 11106 HD11 LEU B 182 162.740 217.770 238.938 1.00 51.77 H +ATOM 11107 HD12 LEU B 182 161.412 218.036 239.769 1.00 51.77 H +ATOM 11108 HD13 LEU B 182 161.554 218.611 238.295 1.00 51.77 H +ATOM 11109 HD21 LEU B 182 164.356 219.575 238.557 1.00 51.97 H +ATOM 11110 HD22 LEU B 182 163.240 220.477 237.876 1.00 51.97 H +ATOM 11111 HD23 LEU B 182 164.071 221.037 239.109 1.00 51.97 H +ATOM 11112 N LEU B 183 160.277 222.974 241.970 1.00 41.77 N +ATOM 11113 CA LEU B 183 159.051 223.695 242.286 1.00 48.30 C +ATOM 11114 C LEU B 183 159.231 225.206 242.131 1.00 42.27 C +ATOM 11115 O LEU B 183 160.231 225.770 242.571 1.00 37.26 O +ATOM 11116 CB LEU B 183 158.592 223.361 243.705 1.00 55.17 C +ATOM 11117 CG LEU B 183 157.176 223.801 244.083 1.00 61.11 C +ATOM 11118 CD1 LEU B 183 156.134 223.070 243.246 1.00 75.06 C +ATOM 11119 CD2 LEU B 183 156.934 223.565 245.562 1.00 72.16 C +ATOM 11120 H LEU B 183 160.650 222.595 242.646 1.00 50.13 H +ATOM 11121 HA LEU B 183 158.354 223.413 241.673 1.00 57.96 H +ATOM 11122 HB2 LEU B 183 158.635 222.398 243.819 1.00 66.21 H +ATOM 11123 HB3 LEU B 183 159.202 223.785 244.329 1.00 66.21 H +ATOM 11124 HG LEU B 183 157.085 224.751 243.912 1.00 73.33 H +ATOM 11125 HD11 LEU B 183 155.250 223.371 243.509 1.00 90.07 H +ATOM 11126 HD12 LEU B 183 156.286 223.269 242.309 1.00 90.07 H +ATOM 11127 HD13 LEU B 183 156.219 222.116 243.399 1.00 90.07 H +ATOM 11128 HD21 LEU B 183 156.033 223.849 245.783 1.00 86.59 H +ATOM 11129 HD22 LEU B 183 157.039 222.619 245.752 1.00 86.59 H +ATOM 11130 HD23 LEU B 183 157.578 224.079 246.073 1.00 86.59 H +ATOM 11131 N ARG B 184 158.252 225.849 241.500 1.00 40.32 N +ATOM 11132 CA ARG B 184 158.300 227.285 241.238 1.00 44.17 C +ATOM 11133 C ARG B 184 157.905 228.107 242.463 1.00 46.32 C +ATOM 11134 O ARG B 184 156.874 227.856 243.085 1.00 39.55 O +ATOM 11135 CB ARG B 184 157.380 227.637 240.065 1.00 37.87 C +ATOM 11136 CG ARG B 184 157.269 229.128 239.760 1.00 45.09 C +ATOM 11137 CD ARG B 184 156.239 229.388 238.674 1.00 38.18 C +ATOM 11138 NE ARG B 184 156.644 228.835 237.384 1.00 41.89 N +ATOM 11139 CZ ARG B 184 155.836 228.700 236.337 1.00 44.25 C +ATOM 11140 NH1 ARG B 184 154.565 229.068 236.416 1.00 42.33 N +ATOM 11141 NH2 ARG B 184 156.299 228.190 235.207 1.00 47.91 N +ATOM 11142 H ARG B 184 157.538 225.469 241.209 1.00 48.39 H +ATOM 11143 HA ARG B 184 159.206 227.531 240.993 1.00 53.01 H +ATOM 11144 HB2 ARG B 184 157.716 227.199 239.268 1.00 45.45 H +ATOM 11145 HB3 ARG B 184 156.488 227.312 240.264 1.00 45.45 H +ATOM 11146 HG2 ARG B 184 156.995 229.601 240.561 1.00 54.11 H +ATOM 11147 HG3 ARG B 184 158.128 229.457 239.451 1.00 54.11 H +ATOM 11148 HD2 ARG B 184 155.399 228.976 238.928 1.00 45.81 H +ATOM 11149 HD3 ARG B 184 156.123 230.345 238.568 1.00 45.81 H +ATOM 11150 HE ARG B 184 157.460 228.580 237.296 1.00 50.27 H +ATOM 11151 HH11 ARG B 184 154.258 229.401 237.147 1.00 50.80 H +ATOM 11152 HH12 ARG B 184 154.048 228.976 235.735 1.00 50.80 H +ATOM 11153 HH21 ARG B 184 157.122 227.948 235.150 1.00 57.49 H +ATOM 11154 HH22 ARG B 184 155.776 228.100 234.531 1.00 57.49 H +ATOM 11155 N ARG B 185 158.739 229.088 242.795 1.00 47.87 N +ATOM 11156 CA ARG B 185 158.423 230.072 243.827 1.00 44.43 C +ATOM 11157 C ARG B 185 158.017 231.368 243.144 1.00 41.35 C +ATOM 11158 O ARG B 185 156.935 231.907 243.370 1.00 40.36 O +ATOM 11159 CB ARG B 185 159.624 230.317 244.740 1.00 46.46 C +ATOM 11160 CG ARG B 185 160.302 229.056 245.245 1.00 46.27 C +ATOM 11161 CD ARG B 185 159.389 228.250 246.150 1.00 55.22 C +ATOM 11162 NE ARG B 185 158.932 229.024 247.299 1.00 59.35 N +ATOM 11163 CZ ARG B 185 159.673 229.286 248.372 1.00 59.98 C +ATOM 11164 NH1 ARG B 185 160.921 228.845 248.448 1.00 57.57 N +ATOM 11165 NH2 ARG B 185 159.166 229.997 249.369 1.00 52.92 N +ATOM 11166 H ARG B 185 159.508 229.206 242.431 1.00 57.44 H +ATOM 11167 HA ARG B 185 157.681 229.756 244.366 1.00 53.32 H +ATOM 11168 HB2 ARG B 185 160.286 230.831 244.251 1.00 55.75 H +ATOM 11169 HB3 ARG B 185 159.327 230.821 245.514 1.00 55.75 H +ATOM 11170 HG2 ARG B 185 160.546 228.500 244.488 1.00 55.52 H +ATOM 11171 HG3 ARG B 185 161.093 229.299 245.751 1.00 55.52 H +ATOM 11172 HD2 ARG B 185 158.609 227.969 245.646 1.00 66.26 H +ATOM 11173 HD3 ARG B 185 159.870 227.476 246.479 1.00 66.26 H +ATOM 11174 HE ARG B 185 158.129 229.332 247.282 1.00 71.22 H +ATOM 11175 HH11 ARG B 185 161.254 228.383 247.804 1.00 69.08 H +ATOM 11176 HH12 ARG B 185 161.396 229.018 249.144 1.00 69.08 H +ATOM 11177 HH21 ARG B 185 158.358 230.287 249.323 1.00 63.50 H +ATOM 11178 HH22 ARG B 185 159.646 230.169 250.062 1.00 63.50 H +ATOM 11179 N LYS B 186 158.920 231.846 242.298 1.00 45.36 N +ATOM 11180 CA LYS B 186 158.734 233.052 241.510 1.00 41.30 C +ATOM 11181 C LYS B 186 158.744 232.661 240.038 1.00 44.14 C +ATOM 11182 O LYS B 186 159.646 231.954 239.591 1.00 42.21 O +ATOM 11183 CB LYS B 186 159.842 234.054 241.835 1.00 40.37 C +ATOM 11184 CG LYS B 186 159.922 235.286 240.955 1.00 47.28 C +ATOM 11185 CD LYS B 186 160.948 236.252 241.541 1.00 48.16 C +ATOM 11186 CE LYS B 186 161.428 237.283 240.535 1.00 50.22 C +ATOM 11187 NZ LYS B 186 160.364 238.242 240.145 1.00 67.59 N +ATOM 11188 H LYS B 186 159.681 231.469 242.160 1.00 54.43 H +ATOM 11189 HA LYS B 186 157.877 233.454 241.721 1.00 49.56 H +ATOM 11190 HB2 LYS B 186 159.716 234.360 242.747 1.00 48.45 H +ATOM 11191 HB3 LYS B 186 160.694 233.596 241.766 1.00 48.45 H +ATOM 11192 HG2 LYS B 186 160.206 235.033 240.063 1.00 56.73 H +ATOM 11193 HG3 LYS B 186 159.058 235.727 240.930 1.00 56.73 H +ATOM 11194 HD2 LYS B 186 160.547 236.725 242.286 1.00 57.80 H +ATOM 11195 HD3 LYS B 186 161.719 235.748 241.844 1.00 57.80 H +ATOM 11196 HE2 LYS B 186 162.159 237.788 240.924 1.00 60.26 H +ATOM 11197 HE3 LYS B 186 161.729 236.827 239.733 1.00 60.26 H +ATOM 11198 HZ1 LYS B 186 160.683 238.828 239.556 1.00 81.11 H +ATOM 11199 HZ2 LYS B 186 159.681 237.805 239.777 1.00 81.11 H +ATOM 11200 HZ3 LYS B 186 160.073 238.681 240.862 1.00 81.11 H +ATOM 11201 N PHE B 187 157.730 233.086 239.292 1.00 38.77 N +ATOM 11202 CA PHE B 187 157.659 232.753 237.878 1.00 34.71 C +ATOM 11203 C PHE B 187 158.853 233.339 237.147 1.00 45.69 C +ATOM 11204 O PHE B 187 159.167 234.517 237.302 1.00 63.36 O +ATOM 11205 CB PHE B 187 156.359 233.263 237.254 1.00 37.84 C +ATOM 11206 CG PHE B 187 156.313 233.125 235.757 1.00 39.70 C +ATOM 11207 CD1 PHE B 187 156.018 231.907 235.169 1.00 41.32 C +ATOM 11208 CD2 PHE B 187 156.567 234.212 234.939 1.00 39.79 C +ATOM 11209 CE1 PHE B 187 155.976 231.776 233.795 1.00 34.99 C +ATOM 11210 CE2 PHE B 187 156.526 234.087 233.565 1.00 43.27 C +ATOM 11211 CZ PHE B 187 156.230 232.865 232.993 1.00 40.15 C +ATOM 11212 H PHE B 187 157.076 233.564 239.579 1.00 46.52 H +ATOM 11213 HA PHE B 187 157.685 231.789 237.776 1.00 41.65 H +ATOM 11214 HB2 PHE B 187 155.617 232.759 237.622 1.00 45.41 H +ATOM 11215 HB3 PHE B 187 156.257 234.203 237.468 1.00 45.41 H +ATOM 11216 HD1 PHE B 187 155.846 231.168 235.706 1.00 49.58 H +ATOM 11217 HD2 PHE B 187 156.767 235.037 235.319 1.00 47.74 H +ATOM 11218 HE1 PHE B 187 155.777 230.953 233.412 1.00 41.99 H +ATOM 11219 HE2 PHE B 187 156.698 234.824 233.025 1.00 51.93 H +ATOM 11220 HZ PHE B 187 156.202 232.778 232.067 1.00 48.18 H +ATOM 11221 N ILE B 188 159.518 232.507 236.352 1.00 45.13 N +ATOM 11222 CA ILE B 188 160.671 232.939 235.576 1.00 39.57 C +ATOM 11223 C ILE B 188 160.315 232.919 234.092 1.00 41.93 C +ATOM 11224 O ILE B 188 160.159 231.849 233.510 1.00 40.44 O +ATOM 11225 CB ILE B 188 161.894 232.048 235.829 1.00 42.95 C +ATOM 11226 CG1 ILE B 188 162.248 232.073 237.317 1.00 37.32 C +ATOM 11227 CG2 ILE B 188 163.080 232.525 234.989 1.00 42.00 C +ATOM 11228 CD1 ILE B 188 163.382 231.150 237.703 1.00 54.22 C +ATOM 11229 H ILE B 188 159.317 231.678 236.245 1.00 54.15 H +ATOM 11230 HA ILE B 188 160.901 233.849 235.822 1.00 47.49 H +ATOM 11231 HB ILE B 188 161.676 231.138 235.574 1.00 51.54 H +ATOM 11232 HG12 ILE B 188 162.507 232.975 237.559 1.00 44.79 H +ATOM 11233 HG13 ILE B 188 161.466 231.808 237.826 1.00 44.79 H +ATOM 11234 HG21 ILE B 188 163.842 231.949 235.163 1.00 50.40 H +ATOM 11235 HG22 ILE B 188 162.840 232.481 234.050 1.00 50.40 H +ATOM 11236 HG23 ILE B 188 163.293 233.439 235.234 1.00 50.40 H +ATOM 11237 HD11 ILE B 188 163.540 231.227 238.657 1.00 65.06 H +ATOM 11238 HD12 ILE B 188 163.136 230.238 237.481 1.00 65.06 H +ATOM 11239 HD13 ILE B 188 164.178 231.407 237.213 1.00 65.06 H +ATOM 11240 N PRO B 189 160.181 234.104 233.470 1.00 40.39 N +ATOM 11241 CA PRO B 189 159.798 234.141 232.055 1.00 34.47 C +ATOM 11242 C PRO B 189 160.901 233.637 231.133 1.00 39.71 C +ATOM 11243 O PRO B 189 162.082 233.741 231.459 1.00 39.02 O +ATOM 11244 CB PRO B 189 159.517 235.627 231.814 1.00 38.19 C +ATOM 11245 CG PRO B 189 160.373 236.326 232.798 1.00 34.40 C +ATOM 11246 CD PRO B 189 160.384 235.458 234.015 1.00 38.36 C +ATOM 11247 HA PRO B 189 158.988 233.629 231.906 1.00 41.37 H +ATOM 11248 HB2 PRO B 189 159.768 235.866 230.907 1.00 45.82 H +ATOM 11249 HB3 PRO B 189 158.580 235.816 231.975 1.00 45.82 H +ATOM 11250 HG2 PRO B 189 161.270 236.422 232.440 1.00 41.27 H +ATOM 11251 HG3 PRO B 189 159.992 237.194 233.002 1.00 41.27 H +ATOM 11252 HD2 PRO B 189 161.241 235.516 234.465 1.00 46.03 H +ATOM 11253 HD3 PRO B 189 159.654 235.697 234.608 1.00 46.03 H +ATOM 11254 N ASP B 190 160.508 233.087 229.991 1.00 42.53 N +ATOM 11255 CA ASP B 190 161.465 232.644 228.992 1.00 40.96 C +ATOM 11256 C ASP B 190 162.169 233.848 228.362 1.00 34.79 C +ATOM 11257 O ASP B 190 161.509 234.721 227.806 1.00 32.60 O +ATOM 11258 CB ASP B 190 160.764 231.818 227.915 1.00 47.62 C +ATOM 11259 CG ASP B 190 161.654 231.541 226.724 1.00 42.41 C +ATOM 11260 OD1 ASP B 190 162.859 231.297 226.927 1.00 43.08 O +ATOM 11261 OD2 ASP B 190 161.154 231.579 225.586 1.00 40.77 O +ATOM 11262 H ASP B 190 159.686 232.960 229.771 1.00 51.04 H +ATOM 11263 HA ASP B 190 162.136 232.086 229.416 1.00 49.15 H +ATOM 11264 HB2 ASP B 190 160.495 230.966 228.294 1.00 57.15 H +ATOM 11265 HB3 ASP B 190 159.984 232.303 227.601 1.00 57.15 H +ATOM 11266 N PRO B 191 163.512 233.897 228.430 1.00 34.70 N +ATOM 11267 CA PRO B 191 164.186 235.069 227.862 1.00 29.66 C +ATOM 11268 C PRO B 191 164.157 235.104 226.335 1.00 30.48 C +ATOM 11269 O PRO B 191 164.439 236.150 225.758 1.00 32.50 O +ATOM 11270 CB PRO B 191 165.632 234.931 228.368 1.00 47.41 C +ATOM 11271 CG PRO B 191 165.672 233.711 229.230 1.00 43.36 C +ATOM 11272 CD PRO B 191 164.474 232.901 228.931 1.00 41.95 C +ATOM 11273 HA PRO B 191 163.798 235.886 228.213 1.00 35.60 H +ATOM 11274 HB2 PRO B 191 166.230 234.830 227.611 1.00 56.89 H +ATOM 11275 HB3 PRO B 191 165.869 235.718 228.884 1.00 56.89 H +ATOM 11276 HG2 PRO B 191 166.475 233.206 229.030 1.00 52.03 H +ATOM 11277 HG3 PRO B 191 165.669 233.980 230.162 1.00 52.03 H +ATOM 11278 HD2 PRO B 191 164.672 232.246 228.244 1.00 50.34 H +ATOM 11279 HD3 PRO B 191 164.138 232.482 229.738 1.00 50.34 H +ATOM 11280 N GLN B 192 163.838 233.981 225.700 1.00 37.04 N +ATOM 11281 CA GLN B 192 163.717 233.930 224.244 1.00 36.31 C +ATOM 11282 C GLN B 192 162.362 234.469 223.793 1.00 36.22 C +ATOM 11283 O GLN B 192 162.125 234.664 222.601 1.00 32.37 O +ATOM 11284 CB GLN B 192 163.919 232.502 223.727 1.00 38.41 C +ATOM 11285 CG GLN B 192 165.371 232.043 223.757 1.00 45.21 C +ATOM 11286 CD GLN B 192 165.579 230.673 223.149 1.00 39.77 C +ATOM 11287 OE1 GLN B 192 166.253 229.826 223.730 1.00 38.64 O +ATOM 11288 NE2 GLN B 192 165.016 230.451 221.966 1.00 35.07 N +ATOM 11289 H GLN B 192 163.686 233.230 226.090 1.00 44.44 H +ATOM 11290 HA GLN B 192 164.406 234.490 223.852 1.00 43.57 H +ATOM 11291 HB2 GLN B 192 163.403 231.893 224.278 1.00 46.09 H +ATOM 11292 HB3 GLN B 192 163.612 232.455 222.808 1.00 46.09 H +ATOM 11293 HG2 GLN B 192 165.911 232.676 223.258 1.00 54.25 H +ATOM 11294 HG3 GLN B 192 165.670 232.008 224.679 1.00 54.25 H +ATOM 11295 HE21 GLN B 192 164.560 231.072 221.584 1.00 42.08 H +ATOM 11296 HE22 GLN B 192 165.108 229.687 221.582 1.00 42.08 H +ATOM 11297 N GLY B 193 161.472 234.701 224.751 1.00 40.44 N +ATOM 11298 CA GLY B 193 160.200 235.340 224.474 1.00 43.19 C +ATOM 11299 C GLY B 193 159.085 234.402 224.048 1.00 45.21 C +ATOM 11300 O GLY B 193 158.077 234.865 223.518 1.00 44.11 O +ATOM 11301 H GLY B 193 161.586 234.494 225.578 1.00 48.53 H +ATOM 11302 HA2 GLY B 193 159.905 235.810 225.270 1.00 51.82 H +ATOM 11303 HA3 GLY B 193 160.325 235.994 223.769 1.00 51.82 H +ATOM 11304 N SER B 194 159.256 233.102 224.279 1.00 39.54 N +ATOM 11305 CA SER B 194 158.232 232.116 223.926 1.00 38.50 C +ATOM 11306 C SER B 194 156.894 232.493 224.544 1.00 41.70 C +ATOM 11307 O SER B 194 156.836 232.880 225.710 1.00 37.28 O +ATOM 11308 CB SER B 194 158.629 230.714 224.396 1.00 42.81 C +ATOM 11309 OG SER B 194 159.894 230.330 223.890 1.00 34.79 O +ATOM 11310 H SER B 194 159.958 232.762 224.640 1.00 47.45 H +ATOM 11311 HA SER B 194 158.127 232.095 222.962 1.00 46.20 H +ATOM 11312 HB2 SER B 194 158.665 230.708 225.365 1.00 51.37 H +ATOM 11313 HB3 SER B 194 157.963 230.081 224.087 1.00 51.37 H +ATOM 11314 HG SER B 194 160.483 230.868 224.152 1.00 41.75 H +ATOM 11315 N ASN B 195 155.827 232.378 223.759 1.00 41.57 N +ATOM 11316 CA ASN B 195 154.490 232.713 224.231 1.00 42.33 C +ATOM 11317 C ASN B 195 153.612 231.470 224.383 1.00 42.10 C +ATOM 11318 O ASN B 195 154.084 230.351 224.207 1.00 45.51 O +ATOM 11319 CB ASN B 195 153.835 233.727 223.288 1.00 36.73 C +ATOM 11320 CG ASN B 195 153.721 233.222 221.859 1.00 39.65 C +ATOM 11321 OD1 ASN B 195 153.795 232.022 221.595 1.00 41.59 O +ATOM 11322 ND2 ASN B 195 153.540 234.148 220.925 1.00 37.47 N +ATOM 11323 H ASN B 195 155.852 232.106 222.943 1.00 49.88 H +ATOM 11324 HA ASN B 195 154.565 233.129 225.105 1.00 50.80 H +ATOM 11325 HB2 ASN B 195 152.941 233.924 223.608 1.00 44.07 H +ATOM 11326 HB3 ASN B 195 154.368 234.537 223.277 1.00 44.07 H +ATOM 11327 HD21 ASN B 195 153.469 233.918 220.099 1.00 44.96 H +ATOM 11328 HD22 ASN B 195 153.494 234.978 221.145 1.00 44.96 H +ATOM 11329 N MET B 196 152.340 231.663 224.714 1.00 41.52 N +ATOM 11330 CA MET B 196 151.457 230.531 224.969 1.00 45.38 C +ATOM 11331 C MET B 196 151.042 229.834 223.679 1.00 40.11 C +ATOM 11332 O MET B 196 150.656 228.666 223.701 1.00 36.49 O +ATOM 11333 CB MET B 196 150.218 230.980 225.746 1.00 48.01 C +ATOM 11334 CG MET B 196 150.492 231.338 227.203 1.00 58.45 C +ATOM 11335 SD MET B 196 151.435 230.080 228.098 1.00 44.22 S +ATOM 11336 CE MET B 196 150.352 228.662 227.960 1.00 84.49 C +ATOM 11337 H MET B 196 151.967 232.433 224.799 1.00 49.82 H +ATOM 11338 HA MET B 196 151.931 229.891 225.523 1.00 54.46 H +ATOM 11339 HB2 MET B 196 149.846 231.765 225.314 1.00 57.61 H +ATOM 11340 HB3 MET B 196 149.567 230.261 225.737 1.00 57.61 H +ATOM 11341 HG2 MET B 196 150.999 232.165 227.231 1.00 70.14 H +ATOM 11342 HG3 MET B 196 149.645 231.456 227.661 1.00 70.14 H +ATOM 11343 HE1 MET B 196 150.760 227.908 228.413 1.00101.39 H +ATOM 11344 HE2 MET B 196 149.500 228.875 228.372 1.00101.39 H +ATOM 11345 HE3 MET B 196 150.223 228.454 227.021 1.00101.39 H +ATOM 11346 N MET B 197 151.119 230.542 222.558 1.00 31.47 N +ATOM 11347 CA MET B 197 150.923 229.906 221.266 1.00 40.81 C +ATOM 11348 C MET B 197 152.002 228.846 221.060 1.00 40.46 C +ATOM 11349 O MET B 197 151.738 227.778 220.511 1.00 33.53 O +ATOM 11350 CB MET B 197 150.961 230.931 220.131 1.00 40.00 C +ATOM 11351 CG MET B 197 149.772 231.878 220.104 1.00 55.84 C +ATOM 11352 SD MET B 197 148.212 231.066 219.702 1.00 37.21 S +ATOM 11353 CE MET B 197 148.473 230.631 217.986 1.00 29.39 C +ATOM 11354 H MET B 197 151.282 231.386 222.520 1.00 37.77 H +ATOM 11355 HA MET B 197 150.053 229.477 221.253 1.00 48.97 H +ATOM 11356 HB2 MET B 197 151.764 231.468 220.225 1.00 48.00 H +ATOM 11357 HB3 MET B 197 150.981 230.458 219.285 1.00 48.00 H +ATOM 11358 HG2 MET B 197 149.677 232.287 220.979 1.00 67.01 H +ATOM 11359 HG3 MET B 197 149.931 232.563 219.436 1.00 67.01 H +ATOM 11360 HE1 MET B 197 148.632 231.441 217.476 1.00 35.27 H +ATOM 11361 HE2 MET B 197 149.243 230.044 217.923 1.00 35.27 H +ATOM 11362 HE3 MET B 197 147.683 230.178 217.651 1.00 35.27 H +ATOM 11363 N PHE B 198 153.216 229.145 221.516 1.00 38.40 N +ATOM 11364 CA PHE B 198 154.327 228.205 221.416 1.00 38.44 C +ATOM 11365 C PHE B 198 154.145 227.026 222.368 1.00 33.45 C +ATOM 11366 O PHE B 198 154.344 225.876 221.984 1.00 27.29 O +ATOM 11367 CB PHE B 198 155.661 228.903 221.708 1.00 32.26 C +ATOM 11368 CG PHE B 198 156.823 227.959 221.822 1.00 37.21 C +ATOM 11369 CD1 PHE B 198 157.457 227.482 220.690 1.00 35.57 C +ATOM 11370 CD2 PHE B 198 157.274 227.540 223.062 1.00 33.90 C +ATOM 11371 CE1 PHE B 198 158.518 226.609 220.792 1.00 30.96 C +ATOM 11372 CE2 PHE B 198 158.335 226.666 223.166 1.00 35.20 C +ATOM 11373 CZ PHE B 198 158.956 226.201 222.031 1.00 31.00 C +ATOM 11374 H PHE B 198 153.422 229.891 221.891 1.00 46.08 H +ATOM 11375 HA PHE B 198 154.364 227.856 220.512 1.00 46.13 H +ATOM 11376 HB2 PHE B 198 155.853 229.525 220.988 1.00 38.71 H +ATOM 11377 HB3 PHE B 198 155.586 229.384 222.547 1.00 38.71 H +ATOM 11378 HD1 PHE B 198 157.163 227.753 219.850 1.00 42.69 H +ATOM 11379 HD2 PHE B 198 156.856 227.850 223.832 1.00 40.68 H +ATOM 11380 HE1 PHE B 198 158.938 226.295 220.024 1.00 37.15 H +ATOM 11381 HE2 PHE B 198 158.632 226.392 224.004 1.00 42.24 H +ATOM 11382 HZ PHE B 198 159.674 225.614 222.100 1.00 37.20 H +ATOM 11383 N ALA B 199 153.762 227.318 223.606 1.00 30.52 N +ATOM 11384 CA ALA B 199 153.616 226.286 224.626 1.00 29.68 C +ATOM 11385 C ALA B 199 152.536 225.264 224.265 1.00 37.65 C +ATOM 11386 O ALA B 199 152.755 224.059 224.393 1.00 33.79 O +ATOM 11387 CB ALA B 199 153.307 226.920 225.972 1.00 30.90 C +ATOM 11388 H ALA B 199 153.580 228.111 223.882 1.00 36.62 H +ATOM 11389 HA ALA B 199 154.457 225.810 224.710 1.00 35.62 H +ATOM 11390 HB1 ALA B 199 153.213 226.219 226.636 1.00 37.08 H +ATOM 11391 HB2 ALA B 199 154.035 227.512 226.216 1.00 37.08 H +ATOM 11392 HB3 ALA B 199 152.480 227.423 225.902 1.00 37.08 H +ATOM 11393 N PHE B 200 151.378 225.736 223.816 1.00 33.10 N +ATOM 11394 CA PHE B 200 150.279 224.835 223.480 1.00 35.11 C +ATOM 11395 C PHE B 200 150.501 224.148 222.138 1.00 27.33 C +ATOM 11396 O PHE B 200 149.997 223.050 221.911 1.00 24.04 O +ATOM 11397 CB PHE B 200 148.944 225.583 223.469 1.00 37.90 C +ATOM 11398 CG PHE B 200 148.403 225.869 224.839 1.00 46.49 C +ATOM 11399 CD1 PHE B 200 148.118 224.833 225.712 1.00 43.82 C +ATOM 11400 CD2 PHE B 200 148.177 227.168 225.254 1.00 47.95 C +ATOM 11401 CE1 PHE B 200 147.625 225.089 226.973 1.00 37.88 C +ATOM 11402 CE2 PHE B 200 147.679 227.427 226.514 1.00 50.03 C +ATOM 11403 CZ PHE B 200 147.404 226.385 227.374 1.00 51.03 C +ATOM 11404 H PHE B 200 151.202 226.570 223.697 1.00 39.72 H +ATOM 11405 HA PHE B 200 150.225 224.145 224.160 1.00 42.13 H +ATOM 11406 HB2 PHE B 200 149.064 226.431 223.014 1.00 45.48 H +ATOM 11407 HB3 PHE B 200 148.288 225.046 222.996 1.00 45.48 H +ATOM 11408 HD1 PHE B 200 148.267 223.954 225.447 1.00 52.58 H +ATOM 11409 HD2 PHE B 200 148.362 227.874 224.678 1.00 57.53 H +ATOM 11410 HE1 PHE B 200 147.438 224.384 227.551 1.00 45.45 H +ATOM 11411 HE2 PHE B 200 147.532 228.304 226.784 1.00 60.04 H +ATOM 11412 HZ PHE B 200 147.069 226.559 228.224 1.00 61.24 H +ATOM 11413 N PHE B 201 151.248 224.786 221.246 1.00 27.54 N +ATOM 11414 CA PHE B 201 151.617 224.131 220.002 1.00 28.02 C +ATOM 11415 C PHE B 201 152.530 222.954 220.318 1.00 28.05 C +ATOM 11416 O PHE B 201 152.387 221.873 219.751 1.00 25.51 O +ATOM 11417 CB PHE B 201 152.309 225.089 219.038 1.00 20.46 C +ATOM 11418 CG PHE B 201 152.590 224.483 217.693 1.00 26.19 C +ATOM 11419 CD1 PHE B 201 153.728 223.727 217.483 1.00 24.94 C +ATOM 11420 CD2 PHE B 201 151.706 224.659 216.643 1.00 23.82 C +ATOM 11421 CE1 PHE B 201 153.984 223.165 216.251 1.00 27.68 C +ATOM 11422 CE2 PHE B 201 151.958 224.099 215.409 1.00 26.73 C +ATOM 11423 CZ PHE B 201 153.099 223.349 215.214 1.00 28.36 C +ATOM 11424 H PHE B 201 151.550 225.587 221.336 1.00 33.04 H +ATOM 11425 HA PHE B 201 150.818 223.789 219.570 1.00 33.62 H +ATOM 11426 HB2 PHE B 201 151.741 225.863 218.903 1.00 24.55 H +ATOM 11427 HB3 PHE B 201 153.156 225.364 219.423 1.00 24.55 H +ATOM 11428 HD1 PHE B 201 154.330 223.598 218.181 1.00 29.93 H +ATOM 11429 HD2 PHE B 201 150.935 225.163 216.770 1.00 28.59 H +ATOM 11430 HE1 PHE B 201 154.754 222.660 216.121 1.00 33.21 H +ATOM 11431 HE2 PHE B 201 151.358 224.225 214.709 1.00 32.08 H +ATOM 11432 HZ PHE B 201 153.271 222.971 214.382 1.00 34.04 H +ATOM 11433 N ALA B 202 153.466 223.180 221.232 1.00 28.84 N +ATOM 11434 CA ALA B 202 154.364 222.131 221.693 1.00 27.30 C +ATOM 11435 C ALA B 202 153.570 220.960 222.261 1.00 29.85 C +ATOM 11436 O ALA B 202 153.788 219.812 221.883 1.00 21.97 O +ATOM 11437 CB ALA B 202 155.328 222.678 222.736 1.00 26.63 C +ATOM 11438 H ALA B 202 153.603 223.943 221.605 1.00 34.61 H +ATOM 11439 HA ALA B 202 154.885 221.806 220.942 1.00 32.76 H +ATOM 11440 HB1 ALA B 202 155.915 221.964 223.029 1.00 31.96 H +ATOM 11441 HB2 ALA B 202 155.849 223.394 222.339 1.00 31.96 H +ATOM 11442 HB3 ALA B 202 154.818 223.018 223.489 1.00 31.96 H +ATOM 11443 N GLN B 203 152.637 221.255 223.162 1.00 35.11 N +ATOM 11444 CA GLN B 203 151.818 220.217 223.778 1.00 35.45 C +ATOM 11445 C GLN B 203 150.957 219.505 222.739 1.00 35.05 C +ATOM 11446 O GLN B 203 150.866 218.280 222.730 1.00 31.73 O +ATOM 11447 CB GLN B 203 150.928 220.810 224.870 1.00 34.04 C +ATOM 11448 CG GLN B 203 150.246 219.767 225.741 1.00 43.33 C +ATOM 11449 CD GLN B 203 149.232 220.368 226.697 1.00 51.23 C +ATOM 11450 OE1 GLN B 203 148.896 221.547 226.604 1.00 52.12 O +ATOM 11451 NE2 GLN B 203 148.739 219.555 227.623 1.00 51.85 N +ATOM 11452 H GLN B 203 152.458 222.051 223.434 1.00 42.13 H +ATOM 11453 HA GLN B 203 152.400 219.558 224.189 1.00 42.54 H +ATOM 11454 HB2 GLN B 203 151.472 221.369 225.448 1.00 40.84 H +ATOM 11455 HB3 GLN B 203 150.236 221.345 224.452 1.00 40.84 H +ATOM 11456 HG2 GLN B 203 149.782 219.134 225.171 1.00 51.99 H +ATOM 11457 HG3 GLN B 203 150.918 219.307 226.268 1.00 51.99 H +ATOM 11458 HE21 GLN B 203 148.998 218.735 227.658 1.00 62.22 H +ATOM 11459 HE22 GLN B 203 148.161 219.847 228.189 1.00 62.22 H +ATOM 11460 N HIS B 204 150.333 220.281 221.861 1.00 30.56 N +ATOM 11461 CA HIS B 204 149.434 219.728 220.856 1.00 30.58 C +ATOM 11462 C HIS B 204 150.181 218.831 219.875 1.00 33.63 C +ATOM 11463 O HIS B 204 149.784 217.690 219.635 1.00 27.19 O +ATOM 11464 CB HIS B 204 148.728 220.854 220.100 1.00 26.44 C +ATOM 11465 CG HIS B 204 147.714 220.374 219.110 1.00 23.03 C +ATOM 11466 ND1 HIS B 204 147.972 220.293 217.758 1.00 24.48 N +ATOM 11467 CD2 HIS B 204 146.438 219.953 219.275 1.00 24.47 C +ATOM 11468 CE1 HIS B 204 146.899 219.841 217.135 1.00 27.04 C +ATOM 11469 NE2 HIS B 204 145.955 219.627 218.032 1.00 22.94 N +ATOM 11470 H HIS B 204 150.413 221.136 221.827 1.00 36.67 H +ATOM 11471 HA HIS B 204 148.757 219.192 221.298 1.00 36.70 H +ATOM 11472 HB2 HIS B 204 148.272 221.422 220.740 1.00 31.72 H +ATOM 11473 HB3 HIS B 204 149.393 221.370 219.616 1.00 31.72 H +ATOM 11474 HD1 HIS B 204 148.716 220.503 217.380 1.00 29.38 H +ATOM 11475 HD2 HIS B 204 145.976 219.895 220.080 1.00 29.36 H +ATOM 11476 HE1 HIS B 204 146.822 219.698 216.219 1.00 32.44 H +ATOM 11477 N PHE B 205 151.264 219.358 219.315 1.00 29.68 N +ATOM 11478 CA PHE B 205 152.037 218.651 218.300 1.00 32.70 C +ATOM 11479 C PHE B 205 152.645 217.352 218.824 1.00 27.85 C +ATOM 11480 O PHE B 205 152.517 216.312 218.186 1.00 23.90 O +ATOM 11481 CB PHE B 205 153.139 219.564 217.750 1.00 30.91 C +ATOM 11482 CG PHE B 205 154.178 218.849 216.936 1.00 25.59 C +ATOM 11483 CD1 PHE B 205 153.861 218.299 215.706 1.00 31.18 C +ATOM 11484 CD2 PHE B 205 155.478 218.740 217.397 1.00 32.26 C +ATOM 11485 CE1 PHE B 205 154.821 217.646 214.959 1.00 25.96 C +ATOM 11486 CE2 PHE B 205 156.442 218.090 216.650 1.00 29.55 C +ATOM 11487 CZ PHE B 205 156.114 217.544 215.432 1.00 25.78 C +ATOM 11488 H PHE B 205 151.577 220.135 219.509 1.00 35.62 H +ATOM 11489 HA PHE B 205 151.447 218.423 217.563 1.00 39.24 H +ATOM 11490 HB2 PHE B 205 152.732 220.238 217.183 1.00 37.09 H +ATOM 11491 HB3 PHE B 205 153.590 219.992 218.495 1.00 37.09 H +ATOM 11492 HD1 PHE B 205 152.992 218.365 215.382 1.00 37.42 H +ATOM 11493 HD2 PHE B 205 155.706 219.108 218.220 1.00 38.71 H +ATOM 11494 HE1 PHE B 205 154.597 217.278 214.134 1.00 31.15 H +ATOM 11495 HE2 PHE B 205 157.312 218.021 216.972 1.00 35.46 H +ATOM 11496 HZ PHE B 205 156.761 217.104 214.929 1.00 30.94 H +ATOM 11497 N THR B 206 153.295 217.404 219.983 1.00 26.23 N +ATOM 11498 CA THR B 206 154.020 216.241 220.488 1.00 27.43 C +ATOM 11499 C THR B 206 153.097 215.149 221.018 1.00 33.53 C +ATOM 11500 O THR B 206 153.488 213.984 221.085 1.00 29.08 O +ATOM 11501 CB THR B 206 155.005 216.615 221.618 1.00 28.76 C +ATOM 11502 OG1 THR B 206 154.283 217.090 222.763 1.00 30.30 O +ATOM 11503 CG2 THR B 206 156.002 217.665 221.151 1.00 26.89 C +ATOM 11504 H THR B 206 153.332 218.096 220.493 1.00 31.48 H +ATOM 11505 HA THR B 206 154.537 215.861 219.761 1.00 32.92 H +ATOM 11506 HB THR B 206 155.505 215.823 221.871 1.00 34.51 H +ATOM 11507 HG1 THR B 206 153.834 217.770 222.557 1.00 36.36 H +ATOM 11508 HG21 THR B 206 156.611 217.887 221.871 1.00 32.27 H +ATOM 11509 HG22 THR B 206 156.512 217.325 220.399 1.00 32.27 H +ATOM 11510 HG23 THR B 206 155.532 218.468 220.876 1.00 32.27 H +ATOM 11511 N HIS B 207 151.876 215.516 221.390 1.00 32.48 N +ATOM 11512 CA HIS B 207 150.954 214.549 221.977 1.00 28.23 C +ATOM 11513 C HIS B 207 150.315 213.651 220.926 1.00 23.46 C +ATOM 11514 O HIS B 207 149.426 212.866 221.238 1.00 31.72 O +ATOM 11515 CB HIS B 207 149.878 215.262 222.790 1.00 35.85 C +ATOM 11516 CG HIS B 207 150.285 215.531 224.204 1.00 42.23 C +ATOM 11517 ND1 HIS B 207 151.475 216.145 224.530 1.00 46.71 N +ATOM 11518 CD2 HIS B 207 149.672 215.250 225.377 1.00 42.83 C +ATOM 11519 CE1 HIS B 207 151.572 216.240 225.844 1.00 45.02 C +ATOM 11520 NE2 HIS B 207 150.490 215.706 226.382 1.00 53.15 N +ATOM 11521 H HIS B 207 151.557 216.311 221.314 1.00 38.97 H +ATOM 11522 HA HIS B 207 151.451 213.980 222.585 1.00 33.88 H +ATOM 11523 HB2 HIS B 207 149.679 216.114 222.370 1.00 43.02 H +ATOM 11524 HB3 HIS B 207 149.081 214.710 222.809 1.00 43.02 H +ATOM 11525 HD2 HIS B 207 148.848 214.832 225.483 1.00 51.39 H +ATOM 11526 HE1 HIS B 207 152.280 216.620 226.311 1.00 54.03 H +ATOM 11527 HE2 HIS B 207 150.326 215.651 227.224 1.00 63.78 H +ATOM 11528 N GLN B 208 150.774 213.747 219.684 1.00 22.65 N +ATOM 11529 CA GLN B 208 150.369 212.778 218.677 1.00 26.43 C +ATOM 11530 C GLN B 208 151.293 211.558 218.709 1.00 22.33 C +ATOM 11531 O GLN B 208 150.885 210.468 218.313 1.00 18.86 O +ATOM 11532 CB GLN B 208 150.349 213.408 217.285 1.00 19.63 C +ATOM 11533 CG GLN B 208 151.707 213.619 216.647 1.00 27.32 C +ATOM 11534 CD GLN B 208 151.609 214.446 215.382 1.00 21.49 C +ATOM 11535 OE1 GLN B 208 151.219 213.944 214.329 1.00 18.30 O +ATOM 11536 NE2 GLN B 208 151.946 215.723 215.484 1.00 19.60 N +ATOM 11537 H GLN B 208 151.312 214.356 219.402 1.00 27.18 H +ATOM 11538 HA GLN B 208 149.470 212.474 218.878 1.00 31.72 H +ATOM 11539 HB2 GLN B 208 149.837 212.833 216.695 1.00 23.55 H +ATOM 11540 HB3 GLN B 208 149.919 214.275 217.347 1.00 23.55 H +ATOM 11541 HG2 GLN B 208 152.284 214.087 217.271 1.00 32.78 H +ATOM 11542 HG3 GLN B 208 152.090 212.758 216.417 1.00 32.78 H +ATOM 11543 HE21 GLN B 208 152.203 216.042 216.240 1.00 23.52 H +ATOM 11544 HE22 GLN B 208 151.907 216.235 214.793 1.00 23.52 H +ATOM 11545 N PHE B 209 152.524 211.730 219.193 1.00 21.09 N +ATOM 11546 CA PHE B 209 153.446 210.596 219.309 1.00 31.88 C +ATOM 11547 C PHE B 209 153.916 210.320 220.745 1.00 23.37 C +ATOM 11548 O PHE B 209 154.504 209.272 221.005 1.00 28.27 O +ATOM 11549 CB PHE B 209 154.660 210.773 218.380 1.00 21.88 C +ATOM 11550 CG PHE B 209 155.313 212.124 218.434 1.00 18.58 C +ATOM 11551 CD1 PHE B 209 156.074 212.504 219.523 1.00 15.24 C +ATOM 11552 CD2 PHE B 209 155.217 212.989 217.356 1.00 22.40 C +ATOM 11553 CE1 PHE B 209 156.693 213.736 219.553 1.00 18.79 C +ATOM 11554 CE2 PHE B 209 155.837 214.221 217.381 1.00 21.95 C +ATOM 11555 CZ PHE B 209 156.576 214.594 218.479 1.00 22.25 C +ATOM 11556 H PHE B 209 152.847 212.482 219.458 1.00 25.31 H +ATOM 11557 HA PHE B 209 152.977 209.802 219.010 1.00 38.26 H +ATOM 11558 HB2 PHE B 209 155.331 210.115 218.621 1.00 26.26 H +ATOM 11559 HB3 PHE B 209 154.373 210.624 217.466 1.00 26.26 H +ATOM 11560 HD1 PHE B 209 156.156 211.930 220.250 1.00 18.29 H +ATOM 11561 HD2 PHE B 209 154.718 212.741 216.612 1.00 26.88 H +ATOM 11562 HE1 PHE B 209 157.193 213.987 220.296 1.00 22.54 H +ATOM 11563 HE2 PHE B 209 155.755 214.799 216.657 1.00 26.34 H +ATOM 11564 HZ PHE B 209 156.992 215.426 218.501 1.00 26.70 H +ATOM 11565 N PHE B 210 153.646 211.232 221.674 1.00 23.68 N +ATOM 11566 CA PHE B 210 153.776 210.919 223.098 1.00 23.64 C +ATOM 11567 C PHE B 210 152.401 210.541 223.633 1.00 30.28 C +ATOM 11568 O PHE B 210 151.614 211.405 224.017 1.00 31.32 O +ATOM 11569 CB PHE B 210 154.346 212.093 223.896 1.00 30.62 C +ATOM 11570 CG PHE B 210 155.735 212.492 223.492 1.00 27.72 C +ATOM 11571 CD1 PHE B 210 156.659 211.547 223.081 1.00 26.53 C +ATOM 11572 CD2 PHE B 210 156.118 213.820 223.533 1.00 23.82 C +ATOM 11573 CE1 PHE B 210 157.935 211.925 222.716 1.00 26.56 C +ATOM 11574 CE2 PHE B 210 157.390 214.201 223.168 1.00 27.06 C +ATOM 11575 CZ PHE B 210 158.300 213.253 222.758 1.00 28.17 C +ATOM 11576 H PHE B 210 153.387 212.036 221.510 1.00 28.42 H +ATOM 11577 HA PHE B 210 154.368 210.158 223.208 1.00 28.37 H +ATOM 11578 HB2 PHE B 210 153.770 212.863 223.772 1.00 36.75 H +ATOM 11579 HB3 PHE B 210 154.370 211.849 224.835 1.00 36.75 H +ATOM 11580 HD1 PHE B 210 156.418 210.650 223.050 1.00 31.84 H +ATOM 11581 HD2 PHE B 210 155.507 214.465 223.809 1.00 28.58 H +ATOM 11582 HE1 PHE B 210 158.548 211.283 222.439 1.00 31.87 H +ATOM 11583 HE2 PHE B 210 157.634 215.098 223.199 1.00 32.47 H +ATOM 11584 HZ PHE B 210 159.160 213.509 222.512 1.00 33.81 H +ATOM 11585 N LYS B 211 152.118 209.242 223.637 1.00 29.54 N +ATOM 11586 CA LYS B 211 150.811 208.725 224.021 1.00 25.67 C +ATOM 11587 C LYS B 211 150.981 207.511 224.916 1.00 29.34 C +ATOM 11588 O LYS B 211 150.681 206.383 224.528 1.00 26.76 O +ATOM 11589 CB LYS B 211 149.993 208.369 222.781 1.00 33.37 C +ATOM 11590 CG LYS B 211 149.569 209.581 221.973 1.00 30.70 C +ATOM 11591 CD LYS B 211 149.078 209.197 220.593 1.00 28.27 C +ATOM 11592 CE LYS B 211 147.859 208.314 220.656 1.00 28.32 C +ATOM 11593 NZ LYS B 211 147.409 207.929 219.296 1.00 35.14 N +ATOM 11594 H LYS B 211 152.679 208.629 223.416 1.00 35.44 H +ATOM 11595 HA LYS B 211 150.330 209.405 224.518 1.00 30.80 H +ATOM 11596 HB2 LYS B 211 150.528 207.799 222.205 1.00 40.05 H +ATOM 11597 HB3 LYS B 211 149.191 207.899 223.057 1.00 40.05 H +ATOM 11598 HG2 LYS B 211 148.847 210.035 222.436 1.00 36.84 H +ATOM 11599 HG3 LYS B 211 150.327 210.177 221.870 1.00 36.84 H +ATOM 11600 HD2 LYS B 211 148.845 210.000 220.102 1.00 33.92 H +ATOM 11601 HD3 LYS B 211 149.779 208.713 220.129 1.00 33.92 H +ATOM 11602 HE2 LYS B 211 148.073 207.505 221.147 1.00 33.99 H +ATOM 11603 HE3 LYS B 211 147.138 208.793 221.092 1.00 33.99 H +ATOM 11604 HZ1 LYS B 211 146.689 207.408 219.350 1.00 42.17 H +ATOM 11605 HZ2 LYS B 211 147.205 208.657 218.826 1.00 42.17 H +ATOM 11606 HZ3 LYS B 211 148.056 207.485 218.876 1.00 42.17 H +ATOM 11607 N THR B 212 151.471 207.770 226.122 1.00 34.42 N +ATOM 11608 CA THR B 212 151.820 206.727 227.072 1.00 33.71 C +ATOM 11609 C THR B 212 150.608 205.868 227.437 1.00 35.24 C +ATOM 11610 O THR B 212 149.566 206.385 227.833 1.00 36.98 O +ATOM 11611 CB THR B 212 152.415 207.341 228.353 1.00 33.31 C +ATOM 11612 OG1 THR B 212 153.313 208.411 228.012 1.00 48.21 O +ATOM 11613 CG2 THR B 212 153.137 206.279 229.167 1.00 32.59 C +ATOM 11614 H THR B 212 151.613 208.564 226.419 1.00 41.30 H +ATOM 11615 HA THR B 212 152.490 206.149 226.676 1.00 40.45 H +ATOM 11616 HB THR B 212 151.694 207.695 228.896 1.00 39.98 H +ATOM 11617 HG21 THR B 212 153.508 206.675 229.971 1.00 39.11 H +ATOM 11618 HG22 THR B 212 152.518 205.576 229.418 1.00 39.11 H +ATOM 11619 HG23 THR B 212 153.857 205.894 228.643 1.00 39.11 H +ATOM 11620 N ASP B 213 150.753 204.555 227.291 1.00 42.41 N +ATOM 11621 CA ASP B 213 149.682 203.614 227.606 1.00 42.75 C +ATOM 11622 C ASP B 213 149.793 203.178 229.064 1.00 41.38 C +ATOM 11623 O ASP B 213 150.451 202.189 229.380 1.00 43.53 O +ATOM 11624 CB ASP B 213 149.743 202.402 226.670 1.00 47.29 C +ATOM 11625 CG ASP B 213 148.534 201.487 226.807 1.00 50.24 C +ATOM 11626 OD1 ASP B 213 147.718 201.699 227.726 1.00 42.05 O +ATOM 11627 OD2 ASP B 213 148.402 200.550 225.992 1.00 46.29 O +ATOM 11628 H ASP B 213 151.472 204.178 227.008 1.00 50.90 H +ATOM 11629 HA ASP B 213 148.824 204.051 227.483 1.00 51.30 H +ATOM 11630 HB2 ASP B 213 149.781 202.714 225.753 1.00 56.75 H +ATOM 11631 HB3 ASP B 213 150.536 201.884 226.878 1.00 56.75 H +ATOM 11632 N HIS B 214 149.142 203.918 229.953 1.00 40.60 N +ATOM 11633 CA HIS B 214 149.305 203.696 231.383 1.00 47.55 C +ATOM 11634 C HIS B 214 148.588 202.439 231.868 1.00 50.62 C +ATOM 11635 O HIS B 214 148.832 201.981 232.984 1.00 52.41 O +ATOM 11636 CB HIS B 214 148.821 204.920 232.158 1.00 45.38 C +ATOM 11637 CG HIS B 214 149.710 206.112 231.999 1.00 51.42 C +ATOM 11638 ND1 HIS B 214 151.032 206.109 232.390 1.00 48.04 N +ATOM 11639 CD2 HIS B 214 149.475 207.339 231.479 1.00 46.05 C +ATOM 11640 CE1 HIS B 214 151.570 207.285 232.125 1.00 51.55 C +ATOM 11641 NE2 HIS B 214 150.647 208.050 231.571 1.00 57.48 N +ATOM 11642 H HIS B 214 148.600 204.556 229.753 1.00 48.71 H +ATOM 11643 HA HIS B 214 150.250 203.585 231.572 1.00 57.06 H +ATOM 11644 HB2 HIS B 214 147.937 205.163 231.840 1.00 54.46 H +ATOM 11645 HB3 HIS B 214 148.784 204.700 233.102 1.00 54.46 H +ATOM 11646 HD2 HIS B 214 148.670 207.645 231.128 1.00 55.26 H +ATOM 11647 HE1 HIS B 214 152.450 207.533 232.298 1.00 61.85 H +ATOM 11648 HE2 HIS B 214 150.760 208.862 231.312 1.00 68.97 H +ATOM 11649 N LYS B 215 147.711 201.881 231.038 1.00 53.68 N +ATOM 11650 CA LYS B 215 147.157 200.557 231.302 1.00 54.55 C +ATOM 11651 C LYS B 215 148.291 199.541 231.373 1.00 60.36 C +ATOM 11652 O LYS B 215 148.288 198.647 232.218 1.00 77.52 O +ATOM 11653 CB LYS B 215 146.152 200.149 230.220 1.00 56.53 C +ATOM 11654 CG LYS B 215 144.698 200.365 230.594 1.00 71.88 C +ATOM 11655 CD LYS B 215 144.389 201.836 230.826 1.00 87.34 C +ATOM 11656 CE LYS B 215 143.064 202.014 231.543 1.00 95.48 C +ATOM 11657 NZ LYS B 215 142.907 203.399 232.063 1.00100.44 N +ATOM 11658 H LYS B 215 147.422 202.248 230.315 1.00 64.42 H +ATOM 11659 HA LYS B 215 146.700 200.565 232.158 1.00 65.46 H +ATOM 11660 HB2 LYS B 215 146.330 200.669 229.421 1.00 67.84 H +ATOM 11661 HB3 LYS B 215 146.268 199.206 230.028 1.00 67.84 H +ATOM 11662 HG2 LYS B 215 144.132 200.047 229.873 1.00 86.25 H +ATOM 11663 HG3 LYS B 215 144.503 199.881 231.412 1.00 86.25 H +ATOM 11664 HD2 LYS B 215 145.087 202.227 231.375 1.00104.81 H +ATOM 11665 HD3 LYS B 215 144.337 202.291 229.972 1.00104.81 H +ATOM 11666 HE2 LYS B 215 142.339 201.838 230.924 1.00114.58 H +ATOM 11667 HE3 LYS B 215 143.021 201.401 232.294 1.00114.58 H +ATOM 11668 HZ1 LYS B 215 142.124 203.480 232.479 1.00120.53 H +ATOM 11669 HZ2 LYS B 215 143.561 203.584 232.638 1.00120.53 H +ATOM 11670 HZ3 LYS B 215 142.940 203.981 231.391 1.00120.53 H +ATOM 11671 N ARG B 216 149.262 199.700 230.480 1.00 50.75 N +ATOM 11672 CA ARG B 216 150.393 198.788 230.384 1.00 40.82 C +ATOM 11673 C ARG B 216 151.554 199.208 231.272 1.00 33.46 C +ATOM 11674 O ARG B 216 152.182 198.380 231.929 1.00 43.55 O +ATOM 11675 CB ARG B 216 150.890 198.707 228.942 1.00 56.36 C +ATOM 11676 CG ARG B 216 149.867 198.237 227.928 1.00 49.10 C +ATOM 11677 CD ARG B 216 150.364 197.039 227.165 1.00 52.07 C +ATOM 11678 NE ARG B 216 149.966 197.035 225.761 1.00 63.56 N +ATOM 11679 CZ ARG B 216 149.890 195.938 225.013 1.00 74.62 C +ATOM 11680 NH1 ARG B 216 150.167 194.747 225.535 1.00 79.80 N +ATOM 11681 NH2 ARG B 216 149.526 196.026 223.744 1.00 78.25 N +ATOM 11682 H ARG B 216 149.287 200.342 229.908 1.00 60.90 H +ATOM 11683 HA ARG B 216 150.110 197.901 230.656 1.00 48.98 H +ATOM 11684 HB2 ARG B 216 151.187 199.589 228.670 1.00 67.63 H +ATOM 11685 HB3 ARG B 216 151.637 198.089 228.910 1.00 67.63 H +ATOM 11686 HG2 ARG B 216 149.050 197.989 228.388 1.00 58.93 H +ATOM 11687 HG3 ARG B 216 149.693 198.951 227.295 1.00 58.93 H +ATOM 11688 HD2 ARG B 216 151.333 197.025 227.199 1.00 62.49 H +ATOM 11689 HD3 ARG B 216 150.008 196.236 227.577 1.00 62.49 H +ATOM 11690 HE ARG B 216 149.695 197.776 225.418 1.00 76.27 H +ATOM 11691 HH11 ARG B 216 150.405 194.683 226.358 1.00 95.75 H +ATOM 11692 HH12 ARG B 216 150.113 194.041 225.046 1.00 95.75 H +ATOM 11693 HH21 ARG B 216 149.342 196.793 223.402 1.00 93.90 H +ATOM 11694 HH22 ARG B 216 149.471 195.316 223.262 1.00 93.90 H +ATOM 11695 N GLY B 217 151.849 200.502 231.261 1.00 36.42 N +ATOM 11696 CA GLY B 217 152.999 201.040 231.963 1.00 31.84 C +ATOM 11697 C GLY B 217 153.667 202.121 231.138 1.00 30.23 C +ATOM 11698 O GLY B 217 153.367 202.272 229.956 1.00 27.71 O +ATOM 11699 H GLY B 217 151.387 201.098 230.846 1.00 43.70 H +ATOM 11700 HA2 GLY B 217 152.720 201.420 232.811 1.00 38.21 H +ATOM 11701 HA3 GLY B 217 153.642 200.333 232.132 1.00 38.21 H +ATOM 11702 N PRO B 218 154.582 202.878 231.756 1.00 25.63 N +ATOM 11703 CA PRO B 218 155.260 204.000 231.096 1.00 28.02 C +ATOM 11704 C PRO B 218 156.115 203.590 229.895 1.00 31.24 C +ATOM 11705 O PRO B 218 156.454 204.439 229.073 1.00 26.16 O +ATOM 11706 CB PRO B 218 156.136 204.583 232.212 1.00 28.65 C +ATOM 11707 CG PRO B 218 156.283 203.499 233.205 1.00 27.46 C +ATOM 11708 CD PRO B 218 155.019 202.717 233.153 1.00 27.12 C +ATOM 11709 HA PRO B 218 154.612 204.666 230.817 1.00 33.63 H +ATOM 11710 HB2 PRO B 218 157.000 204.834 231.850 1.00 34.38 H +ATOM 11711 HB3 PRO B 218 155.694 205.351 232.607 1.00 34.38 H +ATOM 11712 HG2 PRO B 218 157.038 202.940 232.966 1.00 32.95 H +ATOM 11713 HG3 PRO B 218 156.409 203.882 234.087 1.00 32.95 H +ATOM 11714 HD2 PRO B 218 155.190 201.782 233.349 1.00 32.55 H +ATOM 11715 HD3 PRO B 218 154.362 203.094 233.759 1.00 32.55 H +ATOM 11716 N ALA B 219 156.452 202.309 229.797 1.00 30.96 N +ATOM 11717 CA ALA B 219 157.305 201.815 228.722 1.00 27.92 C +ATOM 11718 C ALA B 219 156.554 201.693 227.402 1.00 26.56 C +ATOM 11719 O ALA B 219 157.170 201.516 226.351 1.00 26.71 O +ATOM 11720 CB ALA B 219 157.900 200.469 229.103 1.00 26.89 C +ATOM 11721 H ALA B 219 156.197 201.699 230.347 1.00 37.15 H +ATOM 11722 HA ALA B 219 158.037 202.438 228.591 1.00 33.51 H +ATOM 11723 HB1 ALA B 219 158.463 200.156 228.378 1.00 32.27 H +ATOM 11724 HB2 ALA B 219 158.427 200.575 229.911 1.00 32.27 H +ATOM 11725 HB3 ALA B 219 157.179 199.839 229.258 1.00 32.27 H +ATOM 11726 N PHE B 220 155.230 201.792 227.463 1.00 21.30 N +ATOM 11727 CA PHE B 220 154.381 201.501 226.314 1.00 23.16 C +ATOM 11728 C PHE B 220 153.674 202.736 225.763 1.00 28.26 C +ATOM 11729 O PHE B 220 153.429 203.703 226.486 1.00 28.37 O +ATOM 11730 CB PHE B 220 153.352 200.438 226.698 1.00 32.46 C +ATOM 11731 CG PHE B 220 153.966 199.143 227.135 1.00 32.84 C +ATOM 11732 CD1 PHE B 220 154.226 198.901 228.473 1.00 39.70 C +ATOM 11733 CD2 PHE B 220 154.305 198.173 226.206 1.00 38.14 C +ATOM 11734 CE1 PHE B 220 154.799 197.709 228.879 1.00 47.54 C +ATOM 11735 CE2 PHE B 220 154.878 196.979 226.604 1.00 43.14 C +ATOM 11736 CZ PHE B 220 155.127 196.747 227.943 1.00 45.79 C +ATOM 11737 H PHE B 220 154.795 202.028 228.166 1.00 25.57 H +ATOM 11738 HA PHE B 220 154.932 201.136 225.604 1.00 27.79 H +ATOM 11739 HB2 PHE B 220 152.813 200.774 227.431 1.00 38.95 H +ATOM 11740 HB3 PHE B 220 152.788 200.256 225.930 1.00 38.95 H +ATOM 11741 HD1 PHE B 220 154.006 199.545 229.107 1.00 47.64 H +ATOM 11742 HD2 PHE B 220 154.139 198.324 225.303 1.00 45.77 H +ATOM 11743 HE1 PHE B 220 154.965 197.556 229.782 1.00 57.05 H +ATOM 11744 HE2 PHE B 220 155.098 196.334 225.971 1.00 51.77 H +ATOM 11745 HZ PHE B 220 155.512 195.946 228.214 1.00 54.94 H +ATOM 11746 N THR B 221 153.348 202.688 224.474 1.00 21.02 N +ATOM 11747 CA THR B 221 152.710 203.804 223.785 1.00 27.96 C +ATOM 11748 C THR B 221 151.503 203.347 222.977 1.00 28.05 C +ATOM 11749 O THR B 221 151.442 202.201 222.531 1.00 27.41 O +ATOM 11750 CB THR B 221 153.700 204.523 222.836 1.00 28.20 C +ATOM 11751 OG1 THR B 221 153.041 205.618 222.188 1.00 24.81 O +ATOM 11752 CG2 THR B 221 154.244 203.566 221.779 1.00 28.22 C +ATOM 11753 H THR B 221 153.490 202.006 223.969 1.00 25.23 H +ATOM 11754 HA THR B 221 152.404 204.447 224.443 1.00 33.55 H +ATOM 11755 HB THR B 221 154.448 204.862 223.352 1.00 33.84 H +ATOM 11756 HG1 THR B 221 152.763 206.166 222.761 1.00 29.77 H +ATOM 11757 HG21 THR B 221 154.861 204.034 221.195 1.00 33.86 H +ATOM 11758 HG22 THR B 221 154.711 202.831 222.207 1.00 33.86 H +ATOM 11759 HG23 THR B 221 153.515 203.210 221.248 1.00 33.86 H +ATOM 11760 N ASN B 222 150.546 204.253 222.796 1.00 30.16 N +ATOM 11761 CA ASN B 222 149.396 204.012 221.933 1.00 32.93 C +ATOM 11762 C ASN B 222 149.598 204.577 220.531 1.00 31.97 C +ATOM 11763 O ASN B 222 148.768 204.363 219.648 1.00 34.30 O +ATOM 11764 CB ASN B 222 148.132 204.620 222.543 1.00 39.20 C +ATOM 11765 CG ASN B 222 147.657 203.866 223.764 1.00 36.31 C +ATOM 11766 OD1 ASN B 222 147.619 202.637 223.774 1.00 40.11 O +ATOM 11767 ND2 ASN B 222 147.302 204.600 224.809 1.00 38.76 N +ATOM 11768 H ASN B 222 150.541 205.027 223.170 1.00 36.19 H +ATOM 11769 HA ASN B 222 149.258 203.055 221.852 1.00 39.51 H +ATOM 11770 HB2 ASN B 222 148.317 205.535 222.808 1.00 47.04 H +ATOM 11771 HB3 ASN B 222 147.421 204.602 221.884 1.00 47.04 H +ATOM 11772 HD21 ASN B 222 147.024 204.219 225.528 1.00 46.52 H +ATOM 11773 HD22 ASN B 222 147.349 205.458 224.767 1.00 46.52 H +ATOM 11774 N GLY B 223 150.696 205.304 220.337 1.00 27.88 N +ATOM 11775 CA GLY B 223 151.006 205.913 219.055 1.00 32.65 C +ATOM 11776 C GLY B 223 151.838 204.994 218.183 1.00 29.00 C +ATOM 11777 O GLY B 223 153.050 205.176 218.050 1.00 25.60 O +ATOM 11778 H GLY B 223 151.284 205.460 220.945 1.00 33.46 H +ATOM 11779 HA2 GLY B 223 150.182 206.122 218.587 1.00 39.19 H +ATOM 11780 HA3 GLY B 223 151.499 206.736 219.196 1.00 39.19 H +ATOM 11781 N LEU B 224 151.180 204.009 217.579 1.00 24.82 N +ATOM 11782 CA LEU B 224 151.865 202.974 216.815 1.00 32.57 C +ATOM 11783 C LEU B 224 152.351 203.477 215.459 1.00 34.54 C +ATOM 11784 O LEU B 224 153.017 202.748 214.724 1.00 34.68 O +ATOM 11785 CB LEU B 224 150.944 201.769 216.629 1.00 30.52 C +ATOM 11786 CG LEU B 224 150.392 201.155 217.922 1.00 36.44 C +ATOM 11787 CD1 LEU B 224 149.526 199.951 217.603 1.00 32.52 C +ATOM 11788 CD2 LEU B 224 151.509 200.767 218.886 1.00 29.20 C +ATOM 11789 H LEU B 224 150.325 203.918 217.597 1.00 29.79 H +ATOM 11790 HA LEU B 224 152.642 202.679 217.317 1.00 39.09 H +ATOM 11791 HB2 LEU B 224 150.185 202.043 216.090 1.00 36.62 H +ATOM 11792 HB3 LEU B 224 151.437 201.074 216.165 1.00 36.62 H +ATOM 11793 HG LEU B 224 149.834 201.812 218.365 1.00 43.73 H +ATOM 11794 HD11 LEU B 224 149.188 199.578 218.432 1.00 39.03 H +ATOM 11795 HD12 LEU B 224 148.788 200.234 217.041 1.00 39.03 H +ATOM 11796 HD13 LEU B 224 150.063 199.291 217.137 1.00 39.03 H +ATOM 11797 HD21 LEU B 224 151.116 200.385 219.686 1.00 35.04 H +ATOM 11798 HD22 LEU B 224 152.085 200.116 218.456 1.00 35.04 H +ATOM 11799 HD23 LEU B 224 152.018 201.560 219.114 1.00 35.04 H +ATOM 11800 N GLY B 225 152.008 204.716 215.127 1.00 29.33 N +ATOM 11801 CA GLY B 225 152.540 205.358 213.940 1.00 25.51 C +ATOM 11802 C GLY B 225 153.954 205.853 214.187 1.00 23.10 C +ATOM 11803 O GLY B 225 154.727 206.047 213.250 1.00 26.97 O +ATOM 11804 H GLY B 225 151.466 205.208 215.578 1.00 35.19 H +ATOM 11805 HA2 GLY B 225 152.554 204.728 213.203 1.00 30.61 H +ATOM 11806 HA3 GLY B 225 151.982 206.113 213.696 1.00 30.61 H +ATOM 11807 N HIS B 226 154.278 206.060 215.460 1.00 21.89 N +ATOM 11808 CA HIS B 226 155.612 206.476 215.888 1.00 25.54 C +ATOM 11809 C HIS B 226 156.138 207.672 215.100 1.00 27.46 C +ATOM 11810 O HIS B 226 157.237 207.639 214.546 1.00 28.42 O +ATOM 11811 CB HIS B 226 156.586 205.301 215.782 1.00 22.96 C +ATOM 11812 CG HIS B 226 156.419 204.290 216.871 1.00 17.66 C +ATOM 11813 ND1 HIS B 226 157.077 204.386 218.077 1.00 21.62 N +ATOM 11814 CD2 HIS B 226 155.660 203.172 216.945 1.00 18.94 C +ATOM 11815 CE1 HIS B 226 156.737 203.368 218.844 1.00 22.32 C +ATOM 11816 NE2 HIS B 226 155.877 202.616 218.181 1.00 22.51 N +ATOM 11817 H HIS B 226 153.727 205.963 216.113 1.00 26.27 H +ATOM 11818 HA HIS B 226 155.569 206.737 216.821 1.00 30.65 H +ATOM 11819 HB2 HIS B 226 156.444 204.851 214.934 1.00 27.55 H +ATOM 11820 HB3 HIS B 226 157.494 205.640 215.828 1.00 27.55 H +ATOM 11821 HD2 HIS B 226 155.098 202.841 216.281 1.00 22.73 H +ATOM 11822 HE1 HIS B 226 157.049 203.207 219.706 1.00 26.79 H +ATOM 11823 HE2 HIS B 226 155.514 201.895 218.476 1.00 27.02 H +ATOM 11824 N GLY B 227 155.347 208.737 215.063 1.00 27.17 N +ATOM 11825 CA GLY B 227 155.773 209.960 214.418 1.00 29.09 C +ATOM 11826 C GLY B 227 154.624 210.889 214.105 1.00 28.91 C +ATOM 11827 O GLY B 227 153.604 210.903 214.794 1.00 21.87 O +ATOM 11828 H GLY B 227 154.559 208.772 215.405 1.00 32.60 H +ATOM 11829 HA2 GLY B 227 156.396 210.428 214.996 1.00 34.91 H +ATOM 11830 HA3 GLY B 227 156.227 209.745 213.589 1.00 34.91 H +ATOM 11831 N VAL B 228 154.798 211.665 213.045 1.00 28.42 N +ATOM 11832 CA VAL B 228 153.841 212.693 212.672 1.00 28.40 C +ATOM 11833 C VAL B 228 152.834 212.154 211.658 1.00 25.01 C +ATOM 11834 O VAL B 228 152.956 212.396 210.459 1.00 24.78 O +ATOM 11835 CB VAL B 228 154.560 213.924 212.097 1.00 31.35 C +ATOM 11836 CG1 VAL B 228 153.578 215.066 211.871 1.00 24.61 C +ATOM 11837 CG2 VAL B 228 155.684 214.364 213.034 1.00 22.14 C +ATOM 11838 H VAL B 228 155.474 211.614 212.516 1.00 34.11 H +ATOM 11839 HA VAL B 228 153.353 212.972 213.462 1.00 34.08 H +ATOM 11840 HB VAL B 228 154.954 213.691 211.242 1.00 37.62 H +ATOM 11841 HG11 VAL B 228 154.057 215.827 211.508 1.00 29.53 H +ATOM 11842 HG12 VAL B 228 152.896 214.775 211.245 1.00 29.53 H +ATOM 11843 HG13 VAL B 228 153.170 215.304 212.718 1.00 29.53 H +ATOM 11844 HG21 VAL B 228 156.125 215.140 212.654 1.00 26.57 H +ATOM 11845 HG22 VAL B 228 155.304 214.588 213.898 1.00 26.57 H +ATOM 11846 HG23 VAL B 228 156.318 213.636 213.129 1.00 26.57 H +ATOM 11847 N ASP B 229 151.847 211.408 212.150 1.00 23.97 N +ATOM 11848 CA ASP B 229 150.789 210.867 211.303 1.00 27.01 C +ATOM 11849 C ASP B 229 149.482 211.639 211.482 1.00 24.82 C +ATOM 11850 O ASP B 229 148.493 211.366 210.805 1.00 23.71 O +ATOM 11851 CB ASP B 229 150.571 209.378 211.594 1.00 29.08 C +ATOM 11852 CG ASP B 229 150.200 209.100 213.040 1.00 21.85 C +ATOM 11853 OD1 ASP B 229 149.996 210.052 213.818 1.00 24.05 O +ATOM 11854 OD2 ASP B 229 150.102 207.908 213.395 1.00 27.55 O +ATOM 11855 H ASP B 229 151.768 211.199 212.980 1.00 28.77 H +ATOM 11856 HA ASP B 229 151.058 210.952 210.375 1.00 32.41 H +ATOM 11857 HB2 ASP B 229 149.852 209.049 211.032 1.00 34.89 H +ATOM 11858 HB3 ASP B 229 151.390 208.896 211.398 1.00 34.89 H +ATOM 11859 N LEU B 230 149.492 212.601 212.399 1.00 25.12 N +ATOM 11860 CA LEU B 230 148.333 213.444 212.674 1.00 31.00 C +ATOM 11861 C LEU B 230 147.145 212.613 213.179 1.00 33.81 C +ATOM 11862 O LEU B 230 145.986 212.909 212.880 1.00 28.55 O +ATOM 11863 CB LEU B 230 147.953 214.256 211.425 1.00 30.50 C +ATOM 11864 CG LEU B 230 148.513 215.685 211.395 1.00 27.33 C +ATOM 11865 CD1 LEU B 230 150.033 215.701 211.537 1.00 20.76 C +ATOM 11866 CD2 LEU B 230 148.087 216.387 210.124 1.00 26.62 C +ATOM 11867 H LEU B 230 150.175 212.790 212.886 1.00 30.14 H +ATOM 11868 HA LEU B 230 148.567 214.074 213.373 1.00 37.20 H +ATOM 11869 HB2 LEU B 230 148.288 213.793 210.641 1.00 36.60 H +ATOM 11870 HB3 LEU B 230 146.986 214.319 211.378 1.00 36.60 H +ATOM 11871 HG LEU B 230 148.143 216.179 212.143 1.00 32.80 H +ATOM 11872 HD11 LEU B 230 150.342 216.620 211.513 1.00 24.92 H +ATOM 11873 HD12 LEU B 230 150.275 215.292 212.382 1.00 24.92 H +ATOM 11874 HD13 LEU B 230 150.423 215.202 210.803 1.00 24.92 H +ATOM 11875 HD21 LEU B 230 148.450 217.286 210.124 1.00 31.95 H +ATOM 11876 HD22 LEU B 230 148.426 215.892 209.362 1.00 31.95 H +ATOM 11877 HD23 LEU B 230 147.118 216.420 210.093 1.00 31.95 H +ATOM 11878 N ASN B 231 147.441 211.581 213.964 1.00 22.92 N +ATOM 11879 CA ASN B 231 146.395 210.789 214.596 1.00 31.08 C +ATOM 11880 C ASN B 231 145.654 211.603 215.652 1.00 25.20 C +ATOM 11881 O ASN B 231 144.525 211.284 216.023 1.00 21.30 O +ATOM 11882 CB ASN B 231 146.981 209.530 215.234 1.00 26.55 C +ATOM 11883 CG ASN B 231 147.790 209.827 216.480 1.00 26.91 C +ATOM 11884 OD1 ASN B 231 147.247 209.912 217.579 1.00 26.37 O +ATOM 11885 ND2 ASN B 231 149.096 209.985 216.314 1.00 27.40 N +ATOM 11886 H ASN B 231 148.241 211.320 214.145 1.00 27.51 H +ATOM 11887 HA ASN B 231 145.754 210.516 213.922 1.00 37.29 H +ATOM 11888 HB2 ASN B 231 146.256 208.935 215.481 1.00 31.86 H +ATOM 11889 HB3 ASN B 231 147.565 209.094 214.594 1.00 31.86 H +ATOM 11890 HD21 ASN B 231 149.598 210.155 216.992 1.00 32.88 H +ATOM 11891 HD22 ASN B 231 149.441 209.917 215.530 1.00 32.88 H +ATOM 11892 N HIS B 232 146.297 212.657 216.140 1.00 22.04 N +ATOM 11893 CA HIS B 232 145.676 213.515 217.137 1.00 30.13 C +ATOM 11894 C HIS B 232 144.578 214.387 216.515 1.00 28.87 C +ATOM 11895 O HIS B 232 143.844 215.068 217.229 1.00 24.51 O +ATOM 11896 CB HIS B 232 146.730 214.379 217.838 1.00 26.46 C +ATOM 11897 CG HIS B 232 147.449 215.334 216.937 1.00 24.70 C +ATOM 11898 ND1 HIS B 232 147.640 215.104 215.592 1.00 24.48 N +ATOM 11899 CD2 HIS B 232 148.040 216.524 217.200 1.00 23.80 C +ATOM 11900 CE1 HIS B 232 148.310 216.113 215.064 1.00 22.24 C +ATOM 11901 NE2 HIS B 232 148.566 216.987 216.019 1.00 23.97 N +ATOM 11902 H HIS B 232 147.091 212.896 215.911 1.00 26.45 H +ATOM 11903 HA HIS B 232 145.260 212.955 217.811 1.00 36.16 H +ATOM 11904 HB2 HIS B 232 146.293 214.900 218.531 1.00 31.76 H +ATOM 11905 HB3 HIS B 232 147.393 213.795 218.238 1.00 31.76 H +ATOM 11906 HD2 HIS B 232 148.081 216.949 218.026 1.00 28.56 H +ATOM 11907 HE1 HIS B 232 148.559 216.193 214.172 1.00 26.69 H +ATOM 11908 HE2 HIS B 232 148.991 217.728 215.918 1.00 28.76 H +ATOM 11909 N ILE B 233 144.467 214.339 215.189 1.00 27.14 N +ATOM 11910 CA ILE B 233 143.374 214.979 214.459 1.00 26.55 C +ATOM 11911 C ILE B 233 142.396 213.937 213.917 1.00 30.86 C +ATOM 11912 O ILE B 233 141.179 214.094 214.038 1.00 30.65 O +ATOM 11913 CB ILE B 233 143.901 215.826 213.281 1.00 27.03 C +ATOM 11914 CG1 ILE B 233 144.678 217.035 213.798 1.00 26.78 C +ATOM 11915 CG2 ILE B 233 142.747 216.298 212.378 1.00 32.92 C +ATOM 11916 CD1 ILE B 233 145.460 217.757 212.721 1.00 35.77 C +ATOM 11917 H ILE B 233 145.026 213.933 214.678 1.00 32.57 H +ATOM 11918 HA ILE B 233 142.890 215.565 215.061 1.00 31.86 H +ATOM 11919 HB ILE B 233 144.501 215.278 212.751 1.00 32.43 H +ATOM 11920 HG12 ILE B 233 144.052 217.668 214.185 1.00 32.13 H +ATOM 11921 HG13 ILE B 233 145.307 216.738 214.474 1.00 32.13 H +ATOM 11922 HG21 ILE B 233 143.111 216.826 211.650 1.00 39.50 H +ATOM 11923 HG22 ILE B 233 142.284 215.521 212.026 1.00 39.50 H +ATOM 11924 HG23 ILE B 233 142.135 216.837 212.905 1.00 39.50 H +ATOM 11925 HD11 ILE B 233 145.925 218.509 213.120 1.00 42.92 H +ATOM 11926 HD12 ILE B 233 146.100 217.141 212.330 1.00 42.92 H +ATOM 11927 HD13 ILE B 233 144.844 218.071 212.041 1.00 42.92 H +ATOM 11928 N TYR B 234 142.934 212.875 213.323 1.00 21.82 N +ATOM 11929 CA TYR B 234 142.123 211.908 212.588 1.00 26.76 C +ATOM 11930 C TYR B 234 141.821 210.632 213.368 1.00 25.04 C +ATOM 11931 O TYR B 234 140.979 209.840 212.955 1.00 24.77 O +ATOM 11932 CB TYR B 234 142.818 211.534 211.280 1.00 27.74 C +ATOM 11933 CG TYR B 234 143.099 212.714 210.387 1.00 30.60 C +ATOM 11934 CD1 TYR B 234 142.071 213.363 209.713 1.00 30.89 C +ATOM 11935 CD2 TYR B 234 144.393 213.181 210.214 1.00 31.69 C +ATOM 11936 CE1 TYR B 234 142.331 214.444 208.894 1.00 35.63 C +ATOM 11937 CE2 TYR B 234 144.658 214.257 209.401 1.00 32.15 C +ATOM 11938 CZ TYR B 234 143.629 214.883 208.743 1.00 34.60 C +ATOM 11939 OH TYR B 234 143.914 215.955 207.937 1.00 35.09 O +ATOM 11940 H TYR B 234 143.774 212.691 213.331 1.00 26.19 H +ATOM 11941 HA TYR B 234 141.276 212.323 212.363 1.00 32.11 H +ATOM 11942 HB2 TYR B 234 143.665 211.109 211.486 1.00 33.29 H +ATOM 11943 HB3 TYR B 234 142.251 210.918 210.790 1.00 33.29 H +ATOM 11944 HD1 TYR B 234 141.196 213.064 209.815 1.00 37.07 H +ATOM 11945 HD2 TYR B 234 145.094 212.760 210.657 1.00 38.03 H +ATOM 11946 HE1 TYR B 234 141.636 214.871 208.447 1.00 42.76 H +ATOM 11947 HE2 TYR B 234 145.531 214.558 209.295 1.00 38.58 H +ATOM 11948 HH TYR B 234 143.207 216.252 207.594 1.00 42.11 H +ATOM 11949 N GLY B 235 142.509 210.434 214.485 1.00 25.63 N +ATOM 11950 CA GLY B 235 142.347 209.226 215.272 1.00 28.48 C +ATOM 11951 C GLY B 235 143.394 208.176 214.944 1.00 31.22 C +ATOM 11952 O GLY B 235 143.867 208.077 213.810 1.00 24.85 O +ATOM 11953 H GLY B 235 143.080 210.990 214.809 1.00 30.75 H +ATOM 11954 HA2 GLY B 235 142.414 209.443 216.215 1.00 34.17 H +ATOM 11955 HA3 GLY B 235 141.470 208.847 215.105 1.00 34.17 H +ATOM 11956 N GLU B 236 143.749 207.388 215.951 1.00 34.15 N +ATOM 11957 CA GLU B 236 144.761 206.350 215.808 1.00 34.35 C +ATOM 11958 C GLU B 236 144.258 205.202 214.935 1.00 36.54 C +ATOM 11959 O GLU B 236 144.964 204.741 214.040 1.00 42.61 O +ATOM 11960 CB GLU B 236 145.173 205.833 217.191 1.00 27.97 C +ATOM 11961 CG GLU B 236 146.192 204.701 217.187 1.00 39.64 C +ATOM 11962 CD GLU B 236 147.596 205.144 216.805 1.00 41.27 C +ATOM 11963 OE1 GLU B 236 147.928 206.341 216.964 1.00 29.13 O +ATOM 11964 OE2 GLU B 236 148.374 204.282 216.349 1.00 38.82 O +ATOM 11965 H GLU B 236 143.412 207.435 216.740 1.00 40.98 H +ATOM 11966 HA GLU B 236 145.546 206.729 215.383 1.00 41.22 H +ATOM 11967 HB2 GLU B 236 145.556 206.569 217.693 1.00 33.56 H +ATOM 11968 HB3 GLU B 236 144.380 205.509 217.646 1.00 33.56 H +ATOM 11969 HG2 GLU B 236 146.234 204.315 218.076 1.00 47.57 H +ATOM 11970 HG3 GLU B 236 145.910 204.028 216.549 1.00 47.57 H +ATOM 11971 N THR B 237 143.035 204.751 215.195 1.00 33.52 N +ATOM 11972 CA THR B 237 142.459 203.614 214.481 1.00 30.36 C +ATOM 11973 C THR B 237 141.500 204.050 213.379 1.00 33.76 C +ATOM 11974 O THR B 237 140.998 205.176 213.382 1.00 31.48 O +ATOM 11975 CB THR B 237 141.700 202.679 215.439 1.00 36.91 C +ATOM 11976 OG1 THR B 237 140.519 203.333 215.919 1.00 39.40 O +ATOM 11977 CG2 THR B 237 142.582 202.284 216.616 1.00 48.36 C +ATOM 11978 H THR B 237 142.512 205.091 215.787 1.00 40.22 H +ATOM 11979 HA THR B 237 143.175 203.105 214.070 1.00 36.43 H +ATOM 11980 HB THR B 237 141.448 201.872 214.964 1.00 44.29 H +ATOM 11981 HG1 THR B 237 140.102 202.825 216.442 1.00 47.28 H +ATOM 11982 HG21 THR B 237 142.094 201.695 217.213 1.00 58.03 H +ATOM 11983 HG22 THR B 237 143.374 201.823 216.297 1.00 58.03 H +ATOM 11984 HG23 THR B 237 142.854 203.075 217.107 1.00 58.03 H +ATOM 11985 N LEU B 238 141.248 203.148 212.436 1.00 29.60 N +ATOM 11986 CA LEU B 238 140.307 203.418 211.358 1.00 33.71 C +ATOM 11987 C LEU B 238 138.897 203.584 211.907 1.00 37.05 C +ATOM 11988 O LEU B 238 138.120 204.394 211.408 1.00 33.20 O +ATOM 11989 CB LEU B 238 140.334 202.297 210.321 1.00 29.64 C +ATOM 11990 CG LEU B 238 139.342 202.458 209.164 1.00 40.16 C +ATOM 11991 CD1 LEU B 238 139.663 203.701 208.348 1.00 38.61 C +ATOM 11992 CD2 LEU B 238 139.332 201.220 208.281 1.00 43.63 C +ATOM 11993 H LEU B 238 141.610 202.369 212.398 1.00 35.52 H +ATOM 11994 HA LEU B 238 140.558 204.245 210.916 1.00 40.46 H +ATOM 11995 HB2 LEU B 238 141.225 202.253 209.938 1.00 35.56 H +ATOM 11996 HB3 LEU B 238 140.130 201.460 210.766 1.00 35.56 H +ATOM 11997 HG LEU B 238 138.451 202.567 209.530 1.00 48.19 H +ATOM 11998 HD11 LEU B 238 139.021 203.778 207.624 1.00 46.33 H +ATOM 11999 HD12 LEU B 238 139.607 204.480 208.924 1.00 46.33 H +ATOM 12000 HD13 LEU B 238 140.560 203.619 207.987 1.00 46.33 H +ATOM 12001 HD21 LEU B 238 138.697 201.352 207.560 1.00 52.35 H +ATOM 12002 HD22 LEU B 238 140.221 201.085 207.918 1.00 52.35 H +ATOM 12003 HD23 LEU B 238 139.072 200.454 208.816 1.00 52.35 H +ATOM 12004 N ALA B 239 138.573 202.808 212.935 1.00 39.09 N +ATOM 12005 CA ALA B 239 137.257 202.873 213.560 1.00 33.36 C +ATOM 12006 C ALA B 239 136.978 204.272 214.094 1.00 33.07 C +ATOM 12007 O ALA B 239 135.888 204.812 213.902 1.00 34.46 O +ATOM 12008 CB ALA B 239 137.154 201.851 214.678 1.00 24.91 C +ATOM 12009 H ALA B 239 139.101 202.231 213.292 1.00 46.91 H +ATOM 12010 HA ALA B 239 136.581 202.663 212.897 1.00 40.03 H +ATOM 12011 HB1 ALA B 239 136.273 201.911 215.079 1.00 29.89 H +ATOM 12012 HB2 ALA B 239 137.290 200.964 214.308 1.00 29.89 H +ATOM 12013 HB3 ALA B 239 137.834 202.041 215.343 1.00 29.89 H +ATOM 12014 N ARG B 240 137.966 204.857 214.761 1.00 30.53 N +ATOM 12015 CA ARG B 240 137.809 206.190 215.326 1.00 32.46 C +ATOM 12016 C ARG B 240 137.743 207.232 214.216 1.00 30.37 C +ATOM 12017 O ARG B 240 136.942 208.161 214.282 1.00 33.63 O +ATOM 12018 CB ARG B 240 138.954 206.511 216.289 1.00 32.35 C +ATOM 12019 CG ARG B 240 138.776 207.831 217.031 1.00 40.15 C +ATOM 12020 CD ARG B 240 139.764 207.970 218.176 1.00 36.74 C +ATOM 12021 NE ARG B 240 139.652 209.265 218.844 1.00 42.08 N +ATOM 12022 CZ ARG B 240 138.842 209.526 219.867 1.00 42.85 C +ATOM 12023 NH1 ARG B 240 138.052 208.582 220.364 1.00 42.20 N +ATOM 12024 NH2 ARG B 240 138.820 210.740 220.396 1.00 41.85 N +ATOM 12025 H ARG B 240 138.737 204.503 214.900 1.00 36.64 H +ATOM 12026 HA ARG B 240 136.978 206.228 215.823 1.00 38.95 H +ATOM 12027 HB2 ARG B 240 139.014 205.804 216.950 1.00 38.82 H +ATOM 12028 HB3 ARG B 240 139.781 206.563 215.785 1.00 38.82 H +ATOM 12029 HG2 ARG B 240 138.921 208.566 216.415 1.00 48.18 H +ATOM 12030 HG3 ARG B 240 137.879 207.872 217.398 1.00 48.18 H +ATOM 12031 HD2 ARG B 240 139.590 207.276 218.831 1.00 44.09 H +ATOM 12032 HD3 ARG B 240 140.666 207.885 217.830 1.00 44.09 H +ATOM 12033 HE ARG B 240 140.146 209.906 218.554 1.00 50.49 H +ATOM 12034 HH11 ARG B 240 138.060 207.792 220.025 1.00 50.64 H +ATOM 12035 HH12 ARG B 240 137.532 208.761 221.025 1.00 50.64 H +ATOM 12036 HH21 ARG B 240 139.329 211.356 220.079 1.00 50.22 H +ATOM 12037 HH22 ARG B 240 138.298 210.911 221.057 1.00 50.22 H +ATOM 12038 N GLN B 241 138.586 207.068 213.200 1.00 30.67 N +ATOM 12039 CA GLN B 241 138.578 207.947 212.035 1.00 32.21 C +ATOM 12040 C GLN B 241 137.188 208.034 211.419 1.00 34.35 C +ATOM 12041 O GLN B 241 136.729 209.111 211.043 1.00 28.43 O +ATOM 12042 CB GLN B 241 139.578 207.455 210.986 1.00 27.76 C +ATOM 12043 CG GLN B 241 139.628 208.294 209.712 1.00 27.63 C +ATOM 12044 CD GLN B 241 140.259 207.560 208.545 1.00 31.03 C +ATOM 12045 OE1 GLN B 241 139.587 207.242 207.564 1.00 35.15 O +ATOM 12046 NE2 GLN B 241 141.554 207.294 208.639 1.00 36.12 N +ATOM 12047 H GLN B 241 139.179 206.447 213.161 1.00 36.80 H +ATOM 12048 HA GLN B 241 138.842 208.839 212.309 1.00 38.65 H +ATOM 12049 HB2 GLN B 241 140.466 207.461 211.377 1.00 33.31 H +ATOM 12050 HB3 GLN B 241 139.341 206.549 210.732 1.00 33.31 H +ATOM 12051 HG2 GLN B 241 138.724 208.538 209.459 1.00 33.16 H +ATOM 12052 HG3 GLN B 241 140.152 209.093 209.880 1.00 33.16 H +ATOM 12053 HE21 GLN B 241 141.994 207.538 209.337 1.00 43.34 H +ATOM 12054 HE22 GLN B 241 141.955 206.879 208.001 1.00 43.34 H +ATOM 12055 N ARG B 242 136.524 206.889 211.319 1.00 34.12 N +ATOM 12056 CA ARG B 242 135.221 206.818 210.679 1.00 34.55 C +ATOM 12057 C ARG B 242 134.150 207.536 211.493 1.00 34.09 C +ATOM 12058 O ARG B 242 133.205 208.087 210.934 1.00 32.04 O +ATOM 12059 CB ARG B 242 134.830 205.361 210.452 1.00 30.40 C +ATOM 12060 CG ARG B 242 135.600 204.711 209.321 1.00 33.07 C +ATOM 12061 CD ARG B 242 135.194 203.271 209.121 1.00 39.25 C +ATOM 12062 NE ARG B 242 135.758 202.726 207.893 1.00 50.28 N +ATOM 12063 CZ ARG B 242 135.460 201.530 207.396 1.00 60.08 C +ATOM 12064 NH1 ARG B 242 134.593 200.742 208.020 1.00 74.55 N +ATOM 12065 NH2 ARG B 242 136.027 201.123 206.271 1.00 72.80 N +ATOM 12066 H ARG B 242 136.811 206.135 211.617 1.00 40.94 H +ATOM 12067 HA ARG B 242 135.274 207.250 209.812 1.00 41.46 H +ATOM 12068 HB2 ARG B 242 135.006 204.858 211.262 1.00 36.48 H +ATOM 12069 HB3 ARG B 242 133.885 205.318 210.235 1.00 36.48 H +ATOM 12070 HG2 ARG B 242 135.424 205.192 208.497 1.00 39.69 H +ATOM 12071 HG3 ARG B 242 136.548 204.732 209.526 1.00 39.69 H +ATOM 12072 HD2 ARG B 242 135.517 202.741 209.866 1.00 47.10 H +ATOM 12073 HD3 ARG B 242 134.228 203.216 209.062 1.00 47.10 H +ATOM 12074 HE ARG B 242 136.323 203.210 207.461 1.00 60.34 H +ATOM 12075 HH11 ARG B 242 134.223 201.004 208.751 1.00 89.46 H +ATOM 12076 HH12 ARG B 242 134.403 199.970 207.695 1.00 89.46 H +ATOM 12077 HH21 ARG B 242 136.589 201.632 205.864 1.00 87.36 H +ATOM 12078 HH22 ARG B 242 135.834 200.350 205.947 1.00 87.36 H +ATOM 12079 N LYS B 243 134.305 207.531 212.812 1.00 31.55 N +ATOM 12080 CA LYS B 243 133.393 208.253 213.688 1.00 29.97 C +ATOM 12081 C LYS B 243 133.515 209.760 213.491 1.00 36.03 C +ATOM 12082 O LYS B 243 132.531 210.489 213.591 1.00 43.24 O +ATOM 12083 CB LYS B 243 133.664 207.906 215.150 1.00 26.46 C +ATOM 12084 CG LYS B 243 133.310 206.486 215.536 1.00 29.34 C +ATOM 12085 CD LYS B 243 133.653 206.225 216.990 1.00 38.54 C +ATOM 12086 CE LYS B 243 133.060 204.917 217.482 1.00 42.19 C +ATOM 12087 NZ LYS B 243 133.412 204.659 218.904 1.00 55.83 N +ATOM 12088 H LYS B 243 134.934 207.115 213.226 1.00 37.86 H +ATOM 12089 HA LYS B 243 132.481 207.994 213.480 1.00 35.96 H +ATOM 12090 HB2 LYS B 243 134.610 208.032 215.328 1.00 31.75 H +ATOM 12091 HB3 LYS B 243 133.144 208.502 215.712 1.00 31.75 H +ATOM 12092 HG2 LYS B 243 132.358 206.347 215.415 1.00 35.21 H +ATOM 12093 HG3 LYS B 243 133.815 205.867 214.985 1.00 35.21 H +ATOM 12094 HD2 LYS B 243 134.617 206.176 217.087 1.00 46.25 H +ATOM 12095 HD3 LYS B 243 133.297 206.943 217.536 1.00 46.25 H +ATOM 12096 HE2 LYS B 243 132.094 204.957 217.411 1.00 50.63 H +ATOM 12097 HE3 LYS B 243 133.407 204.187 216.946 1.00 50.63 H +ATOM 12098 HZ1 LYS B 243 133.055 203.889 219.171 1.00 66.99 H +ATOM 12099 HZ2 LYS B 243 134.297 204.615 218.995 1.00 66.99 H +ATOM 12100 HZ3 LYS B 243 133.101 205.316 219.418 1.00 66.99 H +ATOM 12101 N LEU B 244 134.730 210.221 213.215 1.00 39.52 N +ATOM 12102 CA LEU B 244 135.010 211.652 213.136 1.00 37.31 C +ATOM 12103 C LEU B 244 134.742 212.234 211.754 1.00 31.77 C +ATOM 12104 O LEU B 244 134.528 213.437 211.618 1.00 33.60 O +ATOM 12105 CB LEU B 244 136.462 211.924 213.528 1.00 33.79 C +ATOM 12106 CG LEU B 244 136.837 211.608 214.977 1.00 37.82 C +ATOM 12107 CD1 LEU B 244 138.335 211.787 215.185 1.00 33.00 C +ATOM 12108 CD2 LEU B 244 136.049 212.480 215.945 1.00 42.69 C +ATOM 12109 H LEU B 244 135.415 209.722 213.068 1.00 47.42 H +ATOM 12110 HA LEU B 244 134.440 212.116 213.768 1.00 44.77 H +ATOM 12111 HB2 LEU B 244 137.037 211.390 212.958 1.00 40.55 H +ATOM 12112 HB3 LEU B 244 136.647 212.865 213.381 1.00 40.55 H +ATOM 12113 HG LEU B 244 136.618 210.681 215.164 1.00 45.38 H +ATOM 12114 HD11 LEU B 244 138.552 211.582 216.108 1.00 39.60 H +ATOM 12115 HD12 LEU B 244 138.810 211.185 214.592 1.00 39.60 H +ATOM 12116 HD13 LEU B 244 138.573 212.706 214.985 1.00 39.60 H +ATOM 12117 HD21 LEU B 244 136.308 212.257 216.853 1.00 51.23 H +ATOM 12118 HD22 LEU B 244 136.248 213.412 215.763 1.00 51.23 H +ATOM 12119 HD23 LEU B 244 135.102 212.313 215.820 1.00 51.23 H +ATOM 12120 N ARG B 245 134.757 211.385 210.734 1.00 25.51 N +ATOM 12121 CA ARG B 245 134.590 211.850 209.363 1.00 29.85 C +ATOM 12122 C ARG B 245 133.127 212.105 209.015 1.00 33.54 C +ATOM 12123 O ARG B 245 132.219 211.540 209.625 1.00 32.69 O +ATOM 12124 CB ARG B 245 135.193 210.838 208.388 1.00 30.39 C +ATOM 12125 CG ARG B 245 136.705 210.949 208.249 1.00 27.68 C +ATOM 12126 CD ARG B 245 137.266 209.849 207.364 1.00 31.24 C +ATOM 12127 NE ARG B 245 136.793 209.940 205.986 1.00 30.28 N +ATOM 12128 CZ ARG B 245 137.054 209.038 205.044 1.00 35.40 C +ATOM 12129 NH1 ARG B 245 137.785 207.967 205.325 1.00 34.57 N +ATOM 12130 NH2 ARG B 245 136.584 209.205 203.818 1.00 28.61 N +ATOM 12131 H ARG B 245 134.862 210.535 210.809 1.00 30.61 H +ATOM 12132 HA ARG B 245 135.070 212.686 209.257 1.00 35.82 H +ATOM 12133 HB2 ARG B 245 134.989 209.942 208.700 1.00 36.47 H +ATOM 12134 HB3 ARG B 245 134.803 210.978 207.511 1.00 36.47 H +ATOM 12135 HG2 ARG B 245 136.927 211.804 207.848 1.00 33.22 H +ATOM 12136 HG3 ARG B 245 137.114 210.873 209.125 1.00 33.22 H +ATOM 12137 HD2 ARG B 245 138.234 209.913 207.354 1.00 37.49 H +ATOM 12138 HD3 ARG B 245 136.994 208.988 207.719 1.00 37.49 H +ATOM 12139 HE ARG B 245 136.314 210.620 205.769 1.00 36.33 H +ATOM 12140 HH11 ARG B 245 138.094 207.853 206.119 1.00 41.48 H +ATOM 12141 HH12 ARG B 245 137.951 207.387 204.712 1.00 41.48 H +ATOM 12142 HH21 ARG B 245 136.109 209.896 203.630 1.00 34.34 H +ATOM 12143 HH22 ARG B 245 136.753 208.620 203.210 1.00 34.34 H +ATOM 12144 N LEU B 246 132.914 212.970 208.029 1.00 34.24 N +ATOM 12145 CA LEU B 246 131.575 213.324 207.571 1.00 35.30 C +ATOM 12146 C LEU B 246 131.163 212.466 206.383 1.00 33.41 C +ATOM 12147 O LEU B 246 129.978 212.264 206.131 1.00 42.01 O +ATOM 12148 CB LEU B 246 131.518 214.805 207.193 1.00 34.81 C +ATOM 12149 CG LEU B 246 130.152 215.345 206.767 1.00 44.23 C +ATOM 12150 CD1 LEU B 246 129.151 215.252 207.910 1.00 35.54 C +ATOM 12151 CD2 LEU B 246 130.282 216.778 206.277 1.00 34.53 C +ATOM 12152 H LEU B 246 133.541 213.372 207.600 1.00 41.08 H +ATOM 12153 HA LEU B 246 130.941 213.170 208.289 1.00 42.35 H +ATOM 12154 HB2 LEU B 246 131.807 215.325 207.959 1.00 41.77 H +ATOM 12155 HB3 LEU B 246 132.129 214.953 206.455 1.00 41.77 H +ATOM 12156 HG LEU B 246 129.816 214.808 206.032 1.00 53.07 H +ATOM 12157 HD11 LEU B 246 128.297 215.601 207.611 1.00 42.65 H +ATOM 12158 HD12 LEU B 246 129.056 214.323 208.171 1.00 42.65 H +ATOM 12159 HD13 LEU B 246 129.478 215.774 208.659 1.00 42.65 H +ATOM 12160 HD21 LEU B 246 129.407 217.102 206.012 1.00 41.44 H +ATOM 12161 HD22 LEU B 246 130.635 217.326 206.996 1.00 41.44 H +ATOM 12162 HD23 LEU B 246 130.887 216.798 205.519 1.00 41.44 H +ATOM 12163 N PHE B 247 132.162 211.973 205.656 1.00 34.91 N +ATOM 12164 CA PHE B 247 131.958 211.147 204.467 1.00 39.66 C +ATOM 12165 C PHE B 247 131.195 211.906 203.386 1.00 39.50 C +ATOM 12166 O PHE B 247 130.537 211.309 202.537 1.00 44.73 O +ATOM 12167 CB PHE B 247 131.252 209.840 204.837 1.00 33.72 C +ATOM 12168 CG PHE B 247 132.112 208.919 205.648 1.00 37.40 C +ATOM 12169 CD1 PHE B 247 133.186 208.269 205.063 1.00 35.90 C +ATOM 12170 CD2 PHE B 247 131.872 208.726 206.996 1.00 33.17 C +ATOM 12171 CE1 PHE B 247 133.997 207.433 205.803 1.00 31.45 C +ATOM 12172 CE2 PHE B 247 132.678 207.889 207.742 1.00 44.84 C +ATOM 12173 CZ PHE B 247 133.744 207.243 207.142 1.00 38.76 C +ATOM 12174 H PHE B 247 132.992 212.108 205.838 1.00 41.89 H +ATOM 12175 HA PHE B 247 132.826 210.916 204.102 1.00 47.59 H +ATOM 12176 HB2 PHE B 247 130.460 210.046 205.358 1.00 40.46 H +ATOM 12177 HB3 PHE B 247 131.002 209.375 204.023 1.00 40.46 H +ATOM 12178 HD1 PHE B 247 133.362 208.396 204.159 1.00 43.08 H +ATOM 12179 HD2 PHE B 247 131.157 209.160 207.404 1.00 39.80 H +ATOM 12180 HE1 PHE B 247 134.711 206.998 205.397 1.00 37.74 H +ATOM 12181 HE2 PHE B 247 132.506 207.761 208.647 1.00 53.81 H +ATOM 12182 HZ PHE B 247 134.287 206.677 207.642 1.00 46.51 H +ATOM 12183 N LYS B 248 131.308 213.229 203.436 1.00 40.68 N +ATOM 12184 CA LYS B 248 130.905 214.100 202.343 1.00 44.37 C +ATOM 12185 C LYS B 248 132.070 215.032 202.030 1.00 44.02 C +ATOM 12186 O LYS B 248 132.576 215.714 202.919 1.00 41.75 O +ATOM 12187 CB LYS B 248 129.652 214.905 202.703 1.00 44.15 C +ATOM 12188 CG LYS B 248 129.350 216.054 201.739 1.00 58.71 C +ATOM 12189 CD LYS B 248 128.098 216.824 202.133 1.00 72.18 C +ATOM 12190 CE LYS B 248 127.892 218.035 201.230 1.00 79.28 C +ATOM 12191 NZ LYS B 248 126.801 218.927 201.709 1.00 84.08 N +ATOM 12192 H LYS B 248 131.625 213.655 204.112 1.00 48.82 H +ATOM 12193 HA LYS B 248 130.714 213.567 201.555 1.00 53.24 H +ATOM 12194 HB2 LYS B 248 128.887 214.309 202.700 1.00 52.97 H +ATOM 12195 HB3 LYS B 248 129.769 215.285 203.587 1.00 52.97 H +ATOM 12196 HG2 LYS B 248 130.097 216.673 201.738 1.00 70.45 H +ATOM 12197 HG3 LYS B 248 129.214 215.694 200.848 1.00 70.45 H +ATOM 12198 HD2 LYS B 248 127.324 216.245 202.050 1.00 86.62 H +ATOM 12199 HD3 LYS B 248 128.187 217.137 203.047 1.00 86.62 H +ATOM 12200 HE2 LYS B 248 128.712 218.551 201.200 1.00 95.14 H +ATOM 12201 HE3 LYS B 248 127.659 217.729 200.339 1.00 95.14 H +ATOM 12202 HZ1 LYS B 248 126.711 219.620 201.158 1.00100.90 H +ATOM 12203 HZ2 LYS B 248 126.033 218.480 201.740 1.00100.90 H +ATOM 12204 HZ3 LYS B 248 126.992 219.229 202.525 1.00100.90 H +ATOM 12205 N ASP B 249 132.504 215.037 200.774 1.00 40.13 N +ATOM 12206 CA ASP B 249 133.546 215.952 200.312 1.00 53.41 C +ATOM 12207 C ASP B 249 134.871 215.779 201.064 1.00 53.77 C +ATOM 12208 O ASP B 249 135.667 216.712 201.149 1.00 48.05 O +ATOM 12209 CB ASP B 249 133.066 217.403 200.440 1.00 72.58 C +ATOM 12210 CG ASP B 249 131.836 217.689 199.597 1.00 61.00 C +ATOM 12211 OD1 ASP B 249 131.654 217.019 198.558 1.00 57.72 O +ATOM 12212 OD2 ASP B 249 131.054 218.587 199.971 1.00 55.80 O +ATOM 12213 H ASP B 249 132.208 214.513 200.160 1.00 48.15 H +ATOM 12214 HA ASP B 249 133.717 215.780 199.373 1.00 64.09 H +ATOM 12215 HB2 ASP B 249 132.843 217.582 201.367 1.00 87.10 H +ATOM 12216 HB3 ASP B 249 133.775 217.997 200.148 1.00 87.10 H +ATOM 12217 N GLY B 250 135.101 214.585 201.604 1.00 43.29 N +ATOM 12218 CA GLY B 250 136.352 214.276 202.276 1.00 42.10 C +ATOM 12219 C GLY B 250 136.523 214.949 203.625 1.00 39.94 C +ATOM 12220 O GLY B 250 137.599 214.893 204.219 1.00 31.94 O +ATOM 12221 H GLY B 250 134.540 213.933 201.593 1.00 51.94 H +ATOM 12222 HA2 GLY B 250 136.412 213.317 202.409 1.00 50.52 H +ATOM 12223 HA3 GLY B 250 137.091 214.548 201.709 1.00 50.52 H +ATOM 12224 N LYS B 251 135.459 215.571 204.121 1.00 29.05 N +ATOM 12225 CA LYS B 251 135.558 216.429 205.294 1.00 35.16 C +ATOM 12226 C LYS B 251 135.367 215.701 206.619 1.00 29.28 C +ATOM 12227 O LYS B 251 134.943 214.548 206.664 1.00 32.56 O +ATOM 12228 CB LYS B 251 134.538 217.562 205.191 1.00 36.37 C +ATOM 12229 CG LYS B 251 134.801 218.501 204.030 1.00 33.19 C +ATOM 12230 CD LYS B 251 133.893 219.711 204.083 1.00 33.19 C +ATOM 12231 CE LYS B 251 134.240 220.699 202.990 1.00 41.04 C +ATOM 12232 NZ LYS B 251 133.342 221.880 203.008 1.00 58.12 N +ATOM 12233 H LYS B 251 134.665 215.511 203.795 1.00 34.86 H +ATOM 12234 HA LYS B 251 136.441 216.831 205.307 1.00 42.19 H +ATOM 12235 HB2 LYS B 251 133.655 217.179 205.070 1.00 43.64 H +ATOM 12236 HB3 LYS B 251 134.563 218.083 206.008 1.00 43.64 H +ATOM 12237 HG2 LYS B 251 135.720 218.809 204.070 1.00 39.83 H +ATOM 12238 HG3 LYS B 251 134.638 218.034 203.196 1.00 39.83 H +ATOM 12239 HD2 LYS B 251 132.974 219.428 203.958 1.00 39.82 H +ATOM 12240 HD3 LYS B 251 133.997 220.154 204.939 1.00 39.82 H +ATOM 12241 HE2 LYS B 251 135.150 221.009 203.118 1.00 49.24 H +ATOM 12242 HE3 LYS B 251 134.152 220.264 202.127 1.00 49.24 H +ATOM 12243 HZ1 LYS B 251 133.567 222.443 202.357 1.00 69.75 H +ATOM 12244 HZ2 LYS B 251 132.498 221.622 202.888 1.00 69.75 H +ATOM 12245 HZ3 LYS B 251 133.407 222.300 203.790 1.00 69.75 H +ATOM 12246 N MET B 252 135.706 216.405 207.692 1.00 29.84 N +ATOM 12247 CA MET B 252 135.510 215.927 209.050 1.00 30.48 C +ATOM 12248 C MET B 252 134.259 216.570 209.624 1.00 35.25 C +ATOM 12249 O MET B 252 133.931 217.704 209.276 1.00 30.84 O +ATOM 12250 CB MET B 252 136.726 216.263 209.917 1.00 32.68 C +ATOM 12251 CG MET B 252 138.016 215.588 209.478 1.00 35.86 C +ATOM 12252 SD MET B 252 138.291 214.005 210.295 1.00 30.18 S +ATOM 12253 CE MET B 252 138.710 214.550 211.948 1.00 38.74 C +ATOM 12254 H MET B 252 136.062 217.187 207.655 1.00 35.81 H +ATOM 12255 HA MET B 252 135.401 214.963 209.039 1.00 36.58 H +ATOM 12256 HB2 MET B 252 136.871 217.222 209.889 1.00 39.21 H +ATOM 12257 HB3 MET B 252 136.543 215.986 210.828 1.00 39.21 H +ATOM 12258 HG2 MET B 252 137.979 215.429 208.522 1.00 43.03 H +ATOM 12259 HG3 MET B 252 138.764 216.168 209.690 1.00 43.03 H +ATOM 12260 HE1 MET B 252 138.886 213.773 212.501 1.00 46.49 H +ATOM 12261 HE2 MET B 252 139.501 215.111 211.904 1.00 46.49 H +ATOM 12262 HE3 MET B 252 137.966 215.054 212.312 1.00 46.49 H +ATOM 12263 N LYS B 253 133.557 215.853 210.498 1.00 32.38 N +ATOM 12264 CA LYS B 253 132.364 216.393 211.137 1.00 35.46 C +ATOM 12265 C LYS B 253 132.689 217.680 211.879 1.00 37.02 C +ATOM 12266 O LYS B 253 133.828 217.905 212.284 1.00 36.18 O +ATOM 12267 CB LYS B 253 131.754 215.380 212.105 1.00 27.92 C +ATOM 12268 CG LYS B 253 130.996 214.251 211.431 1.00 37.09 C +ATOM 12269 CD LYS B 253 130.189 213.471 212.445 1.00 36.69 C +ATOM 12270 CE LYS B 253 129.082 212.666 211.791 1.00 38.42 C +ATOM 12271 NZ LYS B 253 128.092 212.181 212.791 1.00 52.35 N +ATOM 12272 H LYS B 253 133.752 215.050 210.737 1.00 38.86 H +ATOM 12273 HA LYS B 253 131.704 216.596 210.457 1.00 42.56 H +ATOM 12274 HB2 LYS B 253 132.467 214.985 212.631 1.00 33.50 H +ATOM 12275 HB3 LYS B 253 131.134 215.844 212.690 1.00 33.50 H +ATOM 12276 HG2 LYS B 253 130.388 214.619 210.771 1.00 44.51 H +ATOM 12277 HG3 LYS B 253 131.627 213.646 211.009 1.00 44.51 H +ATOM 12278 HD2 LYS B 253 130.775 212.856 212.913 1.00 44.03 H +ATOM 12279 HD3 LYS B 253 129.783 214.090 213.072 1.00 44.03 H +ATOM 12280 HE2 LYS B 253 128.616 213.225 211.149 1.00 46.11 H +ATOM 12281 HE3 LYS B 253 129.467 211.895 211.346 1.00 46.11 H +ATOM 12282 HZ1 LYS B 253 127.454 211.712 212.384 1.00 62.82 H +ATOM 12283 HZ2 LYS B 253 128.495 211.661 213.390 1.00 62.82 H +ATOM 12284 HZ3 LYS B 253 127.720 212.872 213.211 1.00 62.82 H +ATOM 12285 N TYR B 254 131.681 218.526 212.048 1.00 43.33 N +ATOM 12286 CA TYR B 254 131.860 219.776 212.767 1.00 43.54 C +ATOM 12287 C TYR B 254 130.534 220.355 213.221 1.00 39.36 C +ATOM 12288 O TYR B 254 129.466 219.871 212.852 1.00 43.33 O +ATOM 12289 CB TYR B 254 132.595 220.800 211.896 1.00 41.93 C +ATOM 12290 CG TYR B 254 131.887 221.150 210.605 1.00 41.46 C +ATOM 12291 CD1 TYR B 254 130.962 222.184 210.553 1.00 42.06 C +ATOM 12292 CD2 TYR B 254 132.157 220.455 209.437 1.00 39.70 C +ATOM 12293 CE1 TYR B 254 130.322 222.509 209.373 1.00 35.42 C +ATOM 12294 CE2 TYR B 254 131.524 220.772 208.256 1.00 43.66 C +ATOM 12295 CZ TYR B 254 130.609 221.798 208.228 1.00 46.71 C +ATOM 12296 OH TYR B 254 129.980 222.109 207.048 1.00 44.46 O +ATOM 12297 H TYR B 254 130.882 218.398 211.756 1.00 51.99 H +ATOM 12298 HA TYR B 254 132.400 219.611 213.555 1.00 52.25 H +ATOM 12299 HB2 TYR B 254 132.701 221.619 212.405 1.00 50.32 H +ATOM 12300 HB3 TYR B 254 133.467 220.442 211.666 1.00 50.32 H +ATOM 12301 HD1 TYR B 254 130.768 222.665 211.325 1.00 50.47 H +ATOM 12302 HD2 TYR B 254 132.776 219.761 209.451 1.00 47.64 H +ATOM 12303 HE1 TYR B 254 129.702 223.202 209.351 1.00 42.50 H +ATOM 12304 HE2 TYR B 254 131.715 220.295 207.481 1.00 52.40 H +ATOM 12305 HH TYR B 254 130.249 221.599 206.436 1.00 53.36 H +ATOM 12306 N GLN B 255 130.630 221.397 214.036 1.00 39.86 N +ATOM 12307 CA GLN B 255 129.480 222.169 214.468 1.00 39.45 C +ATOM 12308 C GLN B 255 129.677 223.611 214.031 1.00 44.09 C +ATOM 12309 O GLN B 255 130.808 224.044 213.817 1.00 35.00 O +ATOM 12310 CB GLN B 255 129.307 222.082 215.985 1.00 37.72 C +ATOM 12311 CG GLN B 255 128.912 220.704 216.480 1.00 35.48 C +ATOM 12312 CD GLN B 255 128.694 220.662 217.978 1.00 38.91 C +ATOM 12313 OE1 GLN B 255 127.564 220.536 218.448 1.00 38.46 O +ATOM 12314 NE2 GLN B 255 129.779 220.764 218.737 1.00 38.08 N +ATOM 12315 H GLN B 255 131.373 221.683 214.360 1.00 47.83 H +ATOM 12316 HA GLN B 255 128.679 221.823 214.045 1.00 47.33 H +ATOM 12317 HB2 GLN B 255 130.147 222.320 216.409 1.00 45.27 H +ATOM 12318 HB3 GLN B 255 128.614 222.704 216.256 1.00 45.27 H +ATOM 12319 HG2 GLN B 255 128.085 220.438 216.048 1.00 42.57 H +ATOM 12320 HG3 GLN B 255 129.618 220.075 216.261 1.00 42.57 H +ATOM 12321 HE21 GLN B 255 130.553 220.848 218.372 1.00 45.70 H +ATOM 12322 HE22 GLN B 255 129.707 220.746 219.594 1.00 45.70 H +ATOM 12323 N ILE B 256 128.576 224.338 213.874 1.00 48.94 N +ATOM 12324 CA ILE B 256 128.633 225.776 213.649 1.00 35.96 C +ATOM 12325 C ILE B 256 128.081 226.476 214.879 1.00 40.55 C +ATOM 12326 O ILE B 256 126.883 226.433 215.140 1.00 43.75 O +ATOM 12327 CB ILE B 256 127.841 226.213 212.404 1.00 42.67 C +ATOM 12328 CG1 ILE B 256 128.364 225.500 211.152 1.00 41.15 C +ATOM 12329 CG2 ILE B 256 127.925 227.732 212.225 1.00 45.76 C +ATOM 12330 CD1 ILE B 256 129.814 225.805 210.812 1.00 45.83 C +ATOM 12331 H ILE B 256 127.777 224.019 213.894 1.00 58.73 H +ATOM 12332 HA ILE B 256 129.557 226.047 213.532 1.00 43.15 H +ATOM 12333 HB ILE B 256 126.911 225.969 212.530 1.00 51.20 H +ATOM 12334 HG12 ILE B 256 128.288 224.542 211.286 1.00 49.38 H +ATOM 12335 HG13 ILE B 256 127.822 225.767 210.394 1.00 49.38 H +ATOM 12336 HG21 ILE B 256 127.421 227.985 211.437 1.00 54.91 H +ATOM 12337 HG22 ILE B 256 127.552 228.162 213.010 1.00 54.91 H +ATOM 12338 HG23 ILE B 256 128.855 227.986 212.119 1.00 54.91 H +ATOM 12339 HD11 ILE B 256 130.060 225.315 210.011 1.00 54.99 H +ATOM 12340 HD12 ILE B 256 129.909 226.758 210.659 1.00 54.99 H +ATOM 12341 HD13 ILE B 256 130.376 225.531 211.553 1.00 54.99 H +ATOM 12342 N ILE B 257 128.970 227.105 215.638 1.00 39.06 N +ATOM 12343 CA ILE B 257 128.597 227.807 216.857 1.00 43.01 C +ATOM 12344 C ILE B 257 129.018 229.264 216.748 1.00 46.30 C +ATOM 12345 O ILE B 257 130.190 229.565 216.529 1.00 49.58 O +ATOM 12346 CB ILE B 257 129.237 227.156 218.093 1.00 40.15 C +ATOM 12347 CG1 ILE B 257 128.686 225.741 218.281 1.00 43.37 C +ATOM 12348 CG2 ILE B 257 128.965 227.980 219.345 1.00 39.22 C +ATOM 12349 CD1 ILE B 257 129.618 224.817 219.031 1.00 40.51 C +ATOM 12350 H ILE B 257 129.811 227.140 215.463 1.00 46.87 H +ATOM 12351 HA ILE B 257 127.633 227.775 216.962 1.00 51.61 H +ATOM 12352 HB ILE B 257 130.196 227.102 217.957 1.00 48.19 H +ATOM 12353 HG12 ILE B 257 127.856 225.793 218.780 1.00 52.04 H +ATOM 12354 HG13 ILE B 257 128.522 225.352 217.408 1.00 52.04 H +ATOM 12355 HG21 ILE B 257 129.381 227.544 220.106 1.00 47.06 H +ATOM 12356 HG22 ILE B 257 129.339 228.867 219.226 1.00 47.06 H +ATOM 12357 HG23 ILE B 257 128.007 228.040 219.481 1.00 47.06 H +ATOM 12358 HD11 ILE B 257 129.200 223.944 219.109 1.00 48.61 H +ATOM 12359 HD12 ILE B 257 130.451 224.742 218.540 1.00 48.61 H +ATOM 12360 HD13 ILE B 257 129.784 225.184 219.913 1.00 48.61 H +ATOM 12361 N ASP B 258 128.045 230.158 216.905 1.00 45.37 N +ATOM 12362 CA ASP B 258 128.254 231.591 216.726 1.00 43.15 C +ATOM 12363 C ASP B 258 128.991 231.881 215.420 1.00 40.62 C +ATOM 12364 O ASP B 258 129.938 232.663 215.382 1.00 42.99 O +ATOM 12365 CB ASP B 258 129.013 232.175 217.919 1.00 49.70 C +ATOM 12366 CG ASP B 258 128.171 232.214 219.185 1.00 54.52 C +ATOM 12367 OD1 ASP B 258 126.938 232.043 219.091 1.00 58.24 O +ATOM 12368 OD2 ASP B 258 128.741 232.428 220.274 1.00 54.85 O +ATOM 12369 H ASP B 258 127.238 229.954 217.119 1.00 54.44 H +ATOM 12370 HA ASP B 258 127.390 232.029 216.682 1.00 51.78 H +ATOM 12371 HB2 ASP B 258 129.795 231.629 218.096 1.00 59.64 H +ATOM 12372 HB3 ASP B 258 129.283 233.083 217.710 1.00 59.64 H +ATOM 12373 N GLY B 259 128.548 231.226 214.354 1.00 41.63 N +ATOM 12374 CA GLY B 259 129.022 231.524 213.016 1.00 43.46 C +ATOM 12375 C GLY B 259 130.320 230.853 212.606 1.00 48.13 C +ATOM 12376 O GLY B 259 130.745 230.996 211.461 1.00 41.58 O +ATOM 12377 H GLY B 259 127.964 230.595 214.383 1.00 49.95 H +ATOM 12378 HA2 GLY B 259 128.340 231.261 212.379 1.00 52.15 H +ATOM 12379 HA3 GLY B 259 129.147 232.483 212.937 1.00 52.15 H +ATOM 12380 N GLU B 260 130.952 230.119 213.521 1.00 43.36 N +ATOM 12381 CA GLU B 260 132.267 229.534 213.257 1.00 54.64 C +ATOM 12382 C GLU B 260 132.298 228.016 213.417 1.00 43.69 C +ATOM 12383 O GLU B 260 131.469 227.434 214.110 1.00 42.00 O +ATOM 12384 CB GLU B 260 133.314 230.162 214.176 1.00 53.46 C +ATOM 12385 CG GLU B 260 133.483 231.658 213.975 1.00 54.65 C +ATOM 12386 CD GLU B 260 134.824 232.160 214.469 1.00 59.21 C +ATOM 12387 OE1 GLU B 260 135.854 231.813 213.853 1.00 67.36 O +ATOM 12388 OE2 GLU B 260 134.851 232.896 215.476 1.00 60.50 O +ATOM 12389 H GLU B 260 130.640 229.945 214.304 1.00 52.03 H +ATOM 12390 HA GLU B 260 132.518 229.738 212.342 1.00 65.57 H +ATOM 12391 HB2 GLU B 260 133.050 230.015 215.098 1.00 64.15 H +ATOM 12392 HB3 GLU B 260 134.171 229.741 214.008 1.00 64.15 H +ATOM 12393 HG2 GLU B 260 133.416 231.860 213.029 1.00 65.57 H +ATOM 12394 HG3 GLU B 260 132.788 232.124 214.465 1.00 65.57 H +ATOM 12395 N MET B 261 133.277 227.390 212.772 1.00 46.17 N +ATOM 12396 CA MET B 261 133.403 225.937 212.772 1.00 40.46 C +ATOM 12397 C MET B 261 134.128 225.427 214.013 1.00 32.32 C +ATOM 12398 O MET B 261 135.203 225.912 214.360 1.00 35.76 O +ATOM 12399 CB MET B 261 134.140 225.470 211.514 1.00 37.97 C +ATOM 12400 CG MET B 261 134.350 223.963 211.441 1.00 35.64 C +ATOM 12401 SD MET B 261 135.262 223.447 209.977 1.00 39.04 S +ATOM 12402 CE MET B 261 134.098 223.869 208.685 1.00 41.93 C +ATOM 12403 H MET B 261 133.890 227.791 212.321 1.00 55.41 H +ATOM 12404 HA MET B 261 132.514 225.550 212.753 1.00 48.55 H +ATOM 12405 HB2 MET B 261 133.626 225.734 210.736 1.00 45.56 H +ATOM 12406 HB3 MET B 261 135.013 225.892 211.490 1.00 45.56 H +ATOM 12407 HG2 MET B 261 134.851 223.677 212.221 1.00 42.77 H +ATOM 12408 HG3 MET B 261 133.485 223.524 211.424 1.00 42.77 H +ATOM 12409 HE1 MET B 261 134.482 223.634 207.826 1.00 50.31 H +ATOM 12410 HE2 MET B 261 133.276 223.374 208.828 1.00 50.31 H +ATOM 12411 HE3 MET B 261 133.921 224.822 208.720 1.00 50.31 H +ATOM 12412 N TYR B 262 133.520 224.445 214.671 1.00 34.41 N +ATOM 12413 CA TYR B 262 134.106 223.794 215.836 1.00 34.83 C +ATOM 12414 C TYR B 262 134.032 222.280 215.673 1.00 42.00 C +ATOM 12415 O TYR B 262 133.290 221.778 214.830 1.00 35.18 O +ATOM 12416 CB TYR B 262 133.388 224.228 217.113 1.00 32.19 C +ATOM 12417 CG TYR B 262 133.744 225.622 217.569 1.00 49.43 C +ATOM 12418 CD1 TYR B 262 132.978 226.717 217.190 1.00 47.91 C +ATOM 12419 CD2 TYR B 262 134.844 225.842 218.382 1.00 52.90 C +ATOM 12420 CE1 TYR B 262 133.303 227.991 217.610 1.00 49.07 C +ATOM 12421 CE2 TYR B 262 135.176 227.110 218.805 1.00 62.50 C +ATOM 12422 CZ TYR B 262 134.405 228.181 218.418 1.00 64.60 C +ATOM 12423 OH TYR B 262 134.743 229.445 218.843 1.00 51.92 O +ATOM 12424 H TYR B 262 132.748 224.132 214.456 1.00 41.29 H +ATOM 12425 HA TYR B 262 135.039 224.048 215.909 1.00 41.79 H +ATOM 12426 HB2 TYR B 262 132.431 224.202 216.958 1.00 38.63 H +ATOM 12427 HB3 TYR B 262 133.622 223.614 217.827 1.00 38.63 H +ATOM 12428 HD1 TYR B 262 132.235 226.590 216.646 1.00 57.50 H +ATOM 12429 HD2 TYR B 262 135.368 225.121 218.646 1.00 63.48 H +ATOM 12430 HE1 TYR B 262 132.783 228.717 217.349 1.00 58.88 H +ATOM 12431 HE2 TYR B 262 135.919 227.241 219.350 1.00 75.01 H +ATOM 12432 HH TYR B 262 135.430 229.413 219.324 1.00 62.30 H +ATOM 12433 N PRO B 263 134.812 221.541 216.473 1.00 42.73 N +ATOM 12434 CA PRO B 263 134.720 220.080 216.378 1.00 53.39 C +ATOM 12435 C PRO B 263 133.364 219.559 216.842 1.00 50.75 C +ATOM 12436 O PRO B 263 132.652 220.270 217.551 1.00 37.84 O +ATOM 12437 CB PRO B 263 135.848 219.586 217.294 1.00 47.66 C +ATOM 12438 CG PRO B 263 136.256 220.756 218.116 1.00 46.11 C +ATOM 12439 CD PRO B 263 135.914 221.980 217.344 1.00 41.67 C +ATOM 12440 HA PRO B 263 134.888 219.787 215.469 1.00 64.07 H +ATOM 12441 HB2 PRO B 263 135.516 218.872 217.860 1.00 57.19 H +ATOM 12442 HB3 PRO B 263 136.591 219.275 216.754 1.00 57.19 H +ATOM 12443 HG2 PRO B 263 135.771 220.742 218.956 1.00 55.33 H +ATOM 12444 HG3 PRO B 263 137.212 220.716 218.278 1.00 55.33 H +ATOM 12445 HD2 PRO B 263 135.613 222.683 217.941 1.00 50.01 H +ATOM 12446 HD3 PRO B 263 136.672 222.267 216.812 1.00 50.01 H +ATOM 12447 N PRO B 264 133.012 218.328 216.440 1.00 42.93 N +ATOM 12448 CA PRO B 264 131.737 217.718 216.822 1.00 39.44 C +ATOM 12449 C PRO B 264 131.783 217.216 218.258 1.00 40.52 C +ATOM 12450 O PRO B 264 132.820 217.348 218.908 1.00 35.60 O +ATOM 12451 CB PRO B 264 131.599 216.564 215.832 1.00 40.07 C +ATOM 12452 CG PRO B 264 133.008 216.139 215.596 1.00 43.82 C +ATOM 12453 CD PRO B 264 133.842 217.399 215.652 1.00 37.80 C +ATOM 12454 HA PRO B 264 131.004 218.343 216.710 1.00 47.33 H +ATOM 12455 HB2 PRO B 264 131.081 215.847 216.229 1.00 48.08 H +ATOM 12456 HB3 PRO B 264 131.188 216.879 215.012 1.00 48.08 H +ATOM 12457 HG2 PRO B 264 133.281 215.520 216.291 1.00 52.58 H +ATOM 12458 HG3 PRO B 264 133.079 215.724 214.723 1.00 52.58 H +ATOM 12459 HD2 PRO B 264 134.682 217.229 216.106 1.00 45.36 H +ATOM 12460 HD3 PRO B 264 133.985 217.750 214.759 1.00 45.36 H +ATOM 12461 N THR B 265 130.686 216.643 218.740 1.00 38.68 N +ATOM 12462 CA THR B 265 130.622 216.163 220.114 1.00 42.83 C +ATOM 12463 C THR B 265 130.796 214.652 220.195 1.00 35.41 C +ATOM 12464 O THR B 265 130.745 213.950 219.186 1.00 30.86 O +ATOM 12465 CB THR B 265 129.285 216.532 220.781 1.00 45.33 C +ATOM 12466 OG1 THR B 265 128.215 215.833 220.133 1.00 40.73 O +ATOM 12467 CG2 THR B 265 129.043 218.030 220.703 1.00 45.60 C +ATOM 12468 H THR B 265 129.963 216.521 218.290 1.00 46.41 H +ATOM 12469 HA THR B 265 131.336 216.574 220.626 1.00 51.40 H +ATOM 12470 HB THR B 265 129.313 216.277 221.717 1.00 54.40 H +ATOM 12471 HG1 THR B 265 127.483 216.031 220.493 1.00 48.87 H +ATOM 12472 HG21 THR B 265 128.198 218.251 221.126 1.00 54.72 H +ATOM 12473 HG22 THR B 265 129.757 218.505 221.156 1.00 54.72 H +ATOM 12474 HG23 THR B 265 129.015 218.313 219.776 1.00 54.72 H +ATOM 12475 N VAL B 266 131.006 214.168 221.413 1.00 30.86 N +ATOM 12476 CA VAL B 266 131.036 212.741 221.691 1.00 34.08 C +ATOM 12477 C VAL B 266 129.719 212.088 221.278 1.00 33.93 C +ATOM 12478 O VAL B 266 129.718 210.991 220.722 1.00 37.70 O +ATOM 12479 CB VAL B 266 131.304 212.475 223.188 1.00 35.80 C +ATOM 12480 CG1 VAL B 266 131.150 210.992 223.526 1.00 34.49 C +ATOM 12481 CG2 VAL B 266 132.691 212.967 223.565 1.00 40.00 C +ATOM 12482 H VAL B 266 131.137 214.658 222.108 1.00 37.03 H +ATOM 12483 HA VAL B 266 131.750 212.332 221.178 1.00 40.90 H +ATOM 12484 HB VAL B 266 130.659 212.970 223.716 1.00 42.96 H +ATOM 12485 HG11 VAL B 266 131.326 210.865 224.472 1.00 41.38 H +ATOM 12486 HG12 VAL B 266 130.245 210.714 223.317 1.00 41.38 H +ATOM 12487 HG13 VAL B 266 131.784 210.481 223.000 1.00 41.38 H +ATOM 12488 HG21 VAL B 266 132.842 212.792 224.508 1.00 48.00 H +ATOM 12489 HG22 VAL B 266 133.349 212.495 223.031 1.00 48.00 H +ATOM 12490 HG23 VAL B 266 132.746 213.920 223.392 1.00 48.00 H +ATOM 12491 N LYS B 267 128.608 212.767 221.557 1.00 40.00 N +ATOM 12492 CA LYS B 267 127.278 212.255 221.232 1.00 38.55 C +ATOM 12493 C LYS B 267 127.129 211.985 219.743 1.00 34.90 C +ATOM 12494 O LYS B 267 126.725 210.897 219.339 1.00 43.05 O +ATOM 12495 CB LYS B 267 126.198 213.247 221.688 1.00 45.58 C +ATOM 12496 CG LYS B 267 124.779 212.978 221.145 1.00 46.71 C +ATOM 12497 CD LYS B 267 123.883 212.321 222.173 1.00 60.22 C +ATOM 12498 CE LYS B 267 122.963 213.337 222.830 1.00 60.98 C +ATOM 12499 NZ LYS B 267 122.177 212.730 223.935 1.00 82.23 N +ATOM 12500 H LYS B 267 128.599 213.538 221.939 1.00 48.00 H +ATOM 12501 HA LYS B 267 127.137 211.420 221.705 1.00 46.25 H +ATOM 12502 HB2 LYS B 267 126.148 213.224 222.656 1.00 54.70 H +ATOM 12503 HB3 LYS B 267 126.456 214.136 221.399 1.00 54.70 H +ATOM 12504 HG2 LYS B 267 124.373 213.820 220.886 1.00 56.05 H +ATOM 12505 HG3 LYS B 267 124.840 212.388 220.378 1.00 56.05 H +ATOM 12506 HD2 LYS B 267 123.334 211.649 221.738 1.00 72.26 H +ATOM 12507 HD3 LYS B 267 124.430 211.914 222.862 1.00 72.26 H +ATOM 12508 HE2 LYS B 267 123.496 214.059 223.197 1.00 73.17 H +ATOM 12509 HE3 LYS B 267 122.342 213.680 222.169 1.00 73.17 H +ATOM 12510 HZ1 LYS B 267 121.647 213.344 224.303 1.00 98.68 H +ATOM 12511 HZ2 LYS B 267 121.675 212.065 223.622 1.00 98.68 H +ATOM 12512 HZ3 LYS B 267 122.726 212.410 224.558 1.00 98.68 H +ATOM 12513 N ASP B 268 127.444 212.989 218.934 1.00 38.02 N +ATOM 12514 CA ASP B 268 127.229 212.911 217.496 1.00 37.82 C +ATOM 12515 C ASP B 268 128.180 211.925 216.819 1.00 40.72 C +ATOM 12516 O ASP B 268 127.801 211.254 215.859 1.00 39.32 O +ATOM 12517 CB ASP B 268 127.380 214.304 216.877 1.00 44.54 C +ATOM 12518 CG ASP B 268 127.062 214.325 215.399 1.00 53.56 C +ATOM 12519 OD1 ASP B 268 125.871 214.210 215.039 1.00 52.21 O +ATOM 12520 OD2 ASP B 268 128.001 214.475 214.595 1.00 50.85 O +ATOM 12521 H ASP B 268 127.787 213.732 219.197 1.00 45.63 H +ATOM 12522 HA ASP B 268 126.322 212.610 217.331 1.00 45.38 H +ATOM 12523 HB2 ASP B 268 126.774 214.915 217.324 1.00 53.44 H +ATOM 12524 HB3 ASP B 268 128.296 214.602 216.991 1.00 53.44 H +ATOM 12525 N THR B 269 129.408 211.830 217.325 1.00 44.46 N +ATOM 12526 CA THR B 269 130.434 210.987 216.711 1.00 43.48 C +ATOM 12527 C THR B 269 130.498 209.582 217.304 1.00 42.40 C +ATOM 12528 O THR B 269 130.835 208.630 216.603 1.00 37.18 O +ATOM 12529 CB THR B 269 131.837 211.611 216.850 1.00 40.65 C +ATOM 12530 OG1 THR B 269 132.198 211.687 218.236 1.00 31.10 O +ATOM 12531 CG2 THR B 269 131.873 212.997 216.236 1.00 43.04 C +ATOM 12532 H THR B 269 129.675 212.247 218.028 1.00 53.35 H +ATOM 12533 HA THR B 269 130.240 210.900 215.765 1.00 52.17 H +ATOM 12534 HB THR B 269 132.480 211.055 216.383 1.00 48.78 H +ATOM 12535 HG1 THR B 269 131.644 212.162 218.651 1.00 37.32 H +ATOM 12536 HG21 THR B 269 132.761 213.378 216.330 1.00 51.65 H +ATOM 12537 HG22 THR B 269 131.650 212.948 215.294 1.00 51.65 H +ATOM 12538 HG23 THR B 269 131.234 213.574 216.683 1.00 51.65 H +ATOM 12539 N GLN B 270 130.174 209.469 218.591 1.00 39.72 N +ATOM 12540 CA GLN B 270 130.361 208.239 219.372 1.00 45.12 C +ATOM 12541 C GLN B 270 131.844 207.946 219.587 1.00 47.28 C +ATOM 12542 O GLN B 270 132.211 206.838 219.967 1.00 51.07 O +ATOM 12543 CB GLN B 270 129.675 207.035 218.709 1.00 50.19 C +ATOM 12544 CG GLN B 270 128.164 207.142 218.655 1.00 51.53 C +ATOM 12545 CD GLN B 270 127.541 207.261 220.033 1.00 73.24 C +ATOM 12546 OE1 GLN B 270 126.593 208.022 220.233 1.00 88.22 O +ATOM 12547 NE2 GLN B 270 128.069 206.509 220.993 1.00 62.07 N +ATOM 12548 H GLN B 270 129.832 210.111 219.050 1.00 47.67 H +ATOM 12549 HA GLN B 270 129.957 208.364 220.245 1.00 54.15 H +ATOM 12550 HB2 GLN B 270 129.999 206.954 217.799 1.00 60.23 H +ATOM 12551 HB3 GLN B 270 129.897 206.235 219.210 1.00 60.23 H +ATOM 12552 HG2 GLN B 270 127.919 207.930 218.145 1.00 61.83 H +ATOM 12553 HG3 GLN B 270 127.805 206.346 218.231 1.00 61.83 H +ATOM 12554 HE21 GLN B 270 128.730 205.988 220.816 1.00 74.49 H +ATOM 12555 HE22 GLN B 270 127.749 206.543 221.790 1.00 74.49 H +ATOM 12556 N ALA B 271 132.687 208.949 219.356 1.00 47.22 N +ATOM 12557 CA ALA B 271 134.116 208.829 219.617 1.00 41.44 C +ATOM 12558 C ALA B 271 134.417 209.219 221.061 1.00 36.26 C +ATOM 12559 O ALA B 271 134.204 210.363 221.459 1.00 42.04 O +ATOM 12560 CB ALA B 271 134.907 209.695 218.653 1.00 40.21 C +ATOM 12561 H ALA B 271 132.453 209.717 219.046 1.00 56.66 H +ATOM 12562 HA ALA B 271 134.387 207.906 219.489 1.00 49.72 H +ATOM 12563 HB1 ALA B 271 135.853 209.598 218.846 1.00 48.25 H +ATOM 12564 HB2 ALA B 271 134.722 209.406 217.746 1.00 48.25 H +ATOM 12565 HB3 ALA B 271 134.639 210.620 218.768 1.00 48.25 H +ATOM 12566 N GLU B 272 134.907 208.263 221.841 1.00 47.16 N +ATOM 12567 CA GLU B 272 135.149 208.478 223.264 1.00 44.64 C +ATOM 12568 C GLU B 272 136.177 209.577 223.518 1.00 39.36 C +ATOM 12569 O GLU B 272 137.116 209.762 222.742 1.00 36.41 O +ATOM 12570 CB GLU B 272 135.611 207.176 223.925 1.00 63.91 C +ATOM 12571 CG GLU B 272 134.509 206.138 224.093 1.00 87.93 C +ATOM 12572 CD GLU B 272 134.966 204.918 224.868 1.00104.59 C +ATOM 12573 OE1 GLU B 272 134.100 204.125 225.293 1.00111.43 O +ATOM 12574 OE2 GLU B 272 136.190 204.751 225.052 1.00107.31 O +ATOM 12575 H GLU B 272 135.109 207.472 221.569 1.00 56.59 H +ATOM 12576 HA GLU B 272 134.318 208.747 223.685 1.00 53.57 H +ATOM 12577 HB2 GLU B 272 136.308 206.780 223.380 1.00 76.69 H +ATOM 12578 HB3 GLU B 272 135.961 207.381 224.806 1.00 76.69 H +ATOM 12579 HG2 GLU B 272 133.768 206.539 224.575 1.00105.51 H +ATOM 12580 HG3 GLU B 272 134.215 205.844 223.217 1.00105.51 H +ATOM 12581 N MET B 273 135.976 210.306 224.611 1.00 38.60 N +ATOM 12582 CA MET B 273 136.898 211.345 225.051 1.00 32.33 C +ATOM 12583 C MET B 273 137.043 211.286 226.567 1.00 34.97 C +ATOM 12584 O MET B 273 136.165 210.781 227.261 1.00 40.71 O +ATOM 12585 CB MET B 273 136.408 212.731 224.632 1.00 29.35 C +ATOM 12586 CG MET B 273 136.414 212.994 223.129 1.00 39.06 C +ATOM 12587 SD MET B 273 138.048 213.280 222.414 1.00 33.68 S +ATOM 12588 CE MET B 273 138.615 214.708 223.331 1.00 32.16 C +ATOM 12589 H MET B 273 135.293 210.215 225.126 1.00 46.32 H +ATOM 12590 HA MET B 273 137.765 211.194 224.643 1.00 38.80 H +ATOM 12591 HB2 MET B 273 135.497 212.843 224.944 1.00 35.22 H +ATOM 12592 HB3 MET B 273 136.978 213.398 225.047 1.00 35.22 H +ATOM 12593 HG2 MET B 273 136.029 212.226 222.679 1.00 46.87 H +ATOM 12594 HG3 MET B 273 135.875 213.780 222.950 1.00 46.87 H +ATOM 12595 HE1 MET B 273 139.501 214.951 223.020 1.00 38.59 H +ATOM 12596 HE2 MET B 273 137.999 215.442 223.182 1.00 38.59 H +ATOM 12597 HE3 MET B 273 138.644 214.485 224.274 1.00 38.59 H +ATOM 12598 N ILE B 274 138.157 211.802 227.074 1.00 40.59 N +ATOM 12599 CA ILE B 274 138.370 211.897 228.511 1.00 38.86 C +ATOM 12600 C ILE B 274 137.795 213.209 229.032 1.00 43.09 C +ATOM 12601 O ILE B 274 138.338 214.281 228.770 1.00 48.07 O +ATOM 12602 CB ILE B 274 139.866 211.814 228.876 1.00 34.08 C +ATOM 12603 CG1 ILE B 274 140.518 210.600 228.204 1.00 45.86 C +ATOM 12604 CG2 ILE B 274 140.048 211.756 230.385 1.00 35.62 C +ATOM 12605 CD1 ILE B 274 139.855 209.276 228.519 1.00 52.46 C +ATOM 12606 H ILE B 274 138.809 212.106 226.603 1.00 48.70 H +ATOM 12607 HA ILE B 274 137.909 211.167 228.952 1.00 46.63 H +ATOM 12608 HB ILE B 274 140.304 212.615 228.548 1.00 40.89 H +ATOM 12609 HG12 ILE B 274 140.486 210.724 227.242 1.00 55.04 H +ATOM 12610 HG13 ILE B 274 141.442 210.543 228.495 1.00 55.04 H +ATOM 12611 HG21 ILE B 274 140.995 211.704 230.587 1.00 42.74 H +ATOM 12612 HG22 ILE B 274 139.668 212.556 230.780 1.00 42.74 H +ATOM 12613 HG23 ILE B 274 139.593 210.970 230.727 1.00 42.74 H +ATOM 12614 HD11 ILE B 274 140.329 208.568 228.056 1.00 62.95 H +ATOM 12615 HD12 ILE B 274 139.889 209.126 229.477 1.00 62.95 H +ATOM 12616 HD13 ILE B 274 138.932 209.307 228.221 1.00 62.95 H +ATOM 12617 N TYR B 275 136.690 213.116 229.766 1.00 47.46 N +ATOM 12618 CA TYR B 275 136.058 214.287 230.359 1.00 45.40 C +ATOM 12619 C TYR B 275 135.595 213.989 231.781 1.00 54.73 C +ATOM 12620 O TYR B 275 135.059 212.915 232.046 1.00 63.53 O +ATOM 12621 CB TYR B 275 134.866 214.747 229.518 1.00 40.94 C +ATOM 12622 CG TYR B 275 135.236 215.547 228.289 1.00 35.31 C +ATOM 12623 CD1 TYR B 275 135.761 216.828 228.403 1.00 39.83 C +ATOM 12624 CD2 TYR B 275 135.044 215.029 227.017 1.00 32.32 C +ATOM 12625 CE1 TYR B 275 136.094 217.564 227.285 1.00 32.33 C +ATOM 12626 CE2 TYR B 275 135.374 215.761 225.895 1.00 35.52 C +ATOM 12627 CZ TYR B 275 135.897 217.026 226.036 1.00 37.67 C +ATOM 12628 OH TYR B 275 136.226 217.756 224.923 1.00 35.10 O +ATOM 12629 H TYR B 275 136.284 212.377 229.936 1.00 56.96 H +ATOM 12630 HA TYR B 275 136.701 215.013 230.396 1.00 54.48 H +ATOM 12631 HB2 TYR B 275 134.375 213.964 229.222 1.00 49.13 H +ATOM 12632 HB3 TYR B 275 134.294 215.303 230.069 1.00 49.13 H +ATOM 12633 HD1 TYR B 275 135.895 217.194 229.248 1.00 47.80 H +ATOM 12634 HD2 TYR B 275 134.690 214.174 226.919 1.00 38.78 H +ATOM 12635 HE1 TYR B 275 136.447 218.419 227.376 1.00 38.79 H +ATOM 12636 HE2 TYR B 275 135.243 215.401 225.048 1.00 42.62 H +ATOM 12637 HH TYR B 275 136.057 217.313 224.229 1.00 42.12 H +ATOM 12638 N PRO B 276 135.806 214.936 232.708 1.00 60.13 N +ATOM 12639 CA PRO B 276 135.213 214.749 234.035 1.00 70.08 C +ATOM 12640 C PRO B 276 133.688 214.852 233.978 1.00 69.37 C +ATOM 12641 O PRO B 276 133.167 215.488 233.062 1.00 65.79 O +ATOM 12642 CB PRO B 276 135.822 215.886 234.860 1.00 54.02 C +ATOM 12643 CG PRO B 276 136.287 216.890 233.868 1.00 59.55 C +ATOM 12644 CD PRO B 276 136.672 216.126 232.649 1.00 60.28 C +ATOM 12645 HA PRO B 276 135.472 213.893 234.411 1.00 84.10 H +ATOM 12646 HB2 PRO B 276 135.144 216.267 235.440 1.00 64.82 H +ATOM 12647 HB3 PRO B 276 136.568 215.548 235.380 1.00 64.82 H +ATOM 12648 HG2 PRO B 276 135.566 217.507 233.668 1.00 71.46 H +ATOM 12649 HG3 PRO B 276 137.053 217.367 234.225 1.00 71.46 H +ATOM 12650 HD2 PRO B 276 136.482 216.643 231.851 1.00 72.33 H +ATOM 12651 HD3 PRO B 276 137.606 215.867 232.693 1.00 72.33 H +ATOM 12652 N PRO B 277 132.980 214.236 234.940 1.00 67.66 N +ATOM 12653 CA PRO B 277 131.511 214.221 234.946 1.00 73.28 C +ATOM 12654 C PRO B 277 130.870 215.607 234.874 1.00 69.68 C +ATOM 12655 O PRO B 277 129.756 215.739 234.366 1.00 61.22 O +ATOM 12656 CB PRO B 277 131.173 213.552 236.283 1.00 66.18 C +ATOM 12657 CG PRO B 277 132.356 212.736 236.610 1.00 79.95 C +ATOM 12658 CD PRO B 277 133.539 213.474 236.070 1.00 58.06 C +ATOM 12659 HA PRO B 277 131.175 213.673 234.219 1.00 87.93 H +ATOM 12660 HB2 PRO B 277 131.026 214.231 236.960 1.00 79.41 H +ATOM 12661 HB3 PRO B 277 130.387 212.993 236.180 1.00 79.41 H +ATOM 12662 HG2 PRO B 277 132.427 212.640 237.573 1.00 95.94 H +ATOM 12663 HG3 PRO B 277 132.277 211.867 236.187 1.00 95.94 H +ATOM 12664 HD2 PRO B 277 133.896 214.077 236.740 1.00 69.68 H +ATOM 12665 HD3 PRO B 277 134.213 212.850 235.757 1.00 69.68 H +ATOM 12666 N GLN B 278 131.567 216.620 235.378 1.00 64.71 N +ATOM 12667 CA GLN B 278 131.019 217.971 235.455 1.00 61.21 C +ATOM 12668 C GLN B 278 130.693 218.538 234.078 1.00 58.30 C +ATOM 12669 O GLN B 278 129.674 219.206 233.899 1.00 63.46 O +ATOM 12670 CB GLN B 278 132.000 218.905 236.167 1.00 67.64 C +ATOM 12671 CG GLN B 278 132.508 218.383 237.502 1.00 73.05 C +ATOM 12672 CD GLN B 278 133.840 217.672 237.384 1.00 71.94 C +ATOM 12673 OE1 GLN B 278 133.939 216.471 237.635 1.00 73.40 O +ATOM 12674 NE2 GLN B 278 134.876 218.412 237.008 1.00 68.50 N +ATOM 12675 H GLN B 278 132.367 216.550 235.685 1.00 77.65 H +ATOM 12676 HA GLN B 278 130.199 217.949 235.971 1.00 73.46 H +ATOM 12677 HB2 GLN B 278 132.769 219.045 235.593 1.00 81.16 H +ATOM 12678 HB3 GLN B 278 131.557 219.753 236.332 1.00 81.16 H +ATOM 12679 HG2 GLN B 278 132.619 219.129 238.112 1.00 87.66 H +ATOM 12680 HG3 GLN B 278 131.863 217.754 237.862 1.00 87.66 H +ATOM 12681 HE21 GLN B 278 134.769 219.250 236.846 1.00 82.21 H +ATOM 12682 HE22 GLN B 278 135.654 218.054 236.926 1.00 82.21 H +ATOM 12683 N VAL B 279 131.566 218.274 233.112 1.00 53.97 N +ATOM 12684 CA VAL B 279 131.402 218.798 231.760 1.00 57.16 C +ATOM 12685 C VAL B 279 130.067 218.354 231.169 1.00 52.28 C +ATOM 12686 O VAL B 279 129.805 217.157 231.071 1.00 60.94 O +ATOM 12687 CB VAL B 279 132.534 218.330 230.827 1.00 57.73 C +ATOM 12688 CG1 VAL B 279 132.396 218.975 229.451 1.00 45.57 C +ATOM 12689 CG2 VAL B 279 133.896 218.653 231.430 1.00 51.72 C +ATOM 12690 H VAL B 279 132.269 217.790 233.216 1.00 64.76 H +ATOM 12691 HA VAL B 279 131.414 219.767 231.790 1.00 68.60 H +ATOM 12692 HB VAL B 279 132.475 217.369 230.715 1.00 69.27 H +ATOM 12693 HG11 VAL B 279 133.120 218.665 228.884 1.00 54.68 H +ATOM 12694 HG12 VAL B 279 131.542 218.721 229.068 1.00 54.68 H +ATOM 12695 HG13 VAL B 279 132.442 219.939 229.549 1.00 54.68 H +ATOM 12696 HG21 VAL B 279 134.589 218.348 230.823 1.00 62.06 H +ATOM 12697 HG22 VAL B 279 133.966 219.612 231.557 1.00 62.06 H +ATOM 12698 HG23 VAL B 279 133.980 218.198 232.282 1.00 62.06 H +ATOM 12699 N PRO B 280 129.212 219.310 230.770 1.00 56.51 N +ATOM 12700 CA PRO B 280 127.958 218.885 230.140 1.00 61.13 C +ATOM 12701 C PRO B 280 128.186 218.269 228.762 1.00 50.08 C +ATOM 12702 O PRO B 280 129.139 218.632 228.075 1.00 55.27 O +ATOM 12703 CB PRO B 280 127.153 220.185 230.045 1.00 73.27 C +ATOM 12704 CG PRO B 280 128.164 221.259 230.044 1.00 49.40 C +ATOM 12705 CD PRO B 280 129.294 220.775 230.899 1.00 47.64 C +ATOM 12706 HA PRO B 280 127.489 218.252 230.707 1.00 73.36 H +ATOM 12707 HB2 PRO B 280 126.642 220.194 229.220 1.00 87.92 H +ATOM 12708 HB3 PRO B 280 126.567 220.264 230.814 1.00 87.92 H +ATOM 12709 HG2 PRO B 280 128.468 221.416 229.137 1.00 59.28 H +ATOM 12710 HG3 PRO B 280 127.777 222.066 230.418 1.00 59.28 H +ATOM 12711 HD2 PRO B 280 130.141 221.098 230.555 1.00 57.16 H +ATOM 12712 HD3 PRO B 280 129.159 221.042 231.822 1.00 57.16 H +ATOM 12713 N GLU B 281 127.309 217.345 228.383 1.00 59.63 N +ATOM 12714 CA GLU B 281 127.402 216.614 227.120 1.00 57.79 C +ATOM 12715 C GLU B 281 127.732 217.490 225.913 1.00 51.41 C +ATOM 12716 O GLU B 281 128.684 217.217 225.182 1.00 56.29 O +ATOM 12717 CB GLU B 281 126.086 215.881 226.857 1.00 64.43 C +ATOM 12718 CG GLU B 281 125.877 214.645 227.711 1.00 78.77 C +ATOM 12719 CD GLU B 281 126.437 213.393 227.066 1.00 99.70 C +ATOM 12720 OE1 GLU B 281 125.633 212.527 226.661 1.00 90.35 O +ATOM 12721 OE2 GLU B 281 127.677 213.275 226.964 1.00 79.10 O +ATOM 12722 H GLU B 281 126.628 217.115 228.856 1.00 71.55 H +ATOM 12723 HA GLU B 281 128.102 215.947 227.199 1.00 69.35 H +ATOM 12724 HB2 GLU B 281 125.350 216.488 227.033 1.00 77.31 H +ATOM 12725 HB3 GLU B 281 126.065 215.603 225.927 1.00 77.31 H +ATOM 12726 HG2 GLU B 281 126.324 214.770 228.563 1.00 94.52 H +ATOM 12727 HG3 GLU B 281 124.927 214.512 227.850 1.00 94.52 H +ATOM 12728 N HIS B 282 126.942 218.539 225.710 1.00 45.87 N +ATOM 12729 CA HIS B 282 127.055 219.363 224.509 1.00 53.78 C +ATOM 12730 C HIS B 282 128.381 220.125 224.433 1.00 47.12 C +ATOM 12731 O HIS B 282 128.699 220.711 223.399 1.00 39.17 O +ATOM 12732 CB HIS B 282 125.884 220.345 224.432 1.00 51.66 C +ATOM 12733 CG HIS B 282 125.750 221.225 225.634 1.00 60.46 C +ATOM 12734 ND1 HIS B 282 126.399 222.435 225.748 1.00 49.74 N +ATOM 12735 CD2 HIS B 282 125.043 221.068 226.778 1.00 64.92 C +ATOM 12736 CE1 HIS B 282 126.096 222.986 226.910 1.00 49.88 C +ATOM 12737 NE2 HIS B 282 125.275 222.177 227.554 1.00 75.94 N +ATOM 12738 H HIS B 282 126.328 218.797 226.255 1.00 55.04 H +ATOM 12739 HA HIS B 282 127.005 218.784 223.732 1.00 64.54 H +ATOM 12740 HB2 HIS B 282 126.007 220.918 223.658 1.00 61.99 H +ATOM 12741 HB3 HIS B 282 125.060 219.842 224.340 1.00 61.99 H +ATOM 12742 HD2 HIS B 282 124.501 220.344 226.997 1.00 77.90 H +ATOM 12743 HE1 HIS B 282 126.408 223.805 227.221 1.00 59.86 H +ATOM 12744 HE2 HIS B 282 124.940 222.321 228.333 1.00 91.12 H +ATOM 12745 N LEU B 283 129.148 220.115 225.519 1.00 44.84 N +ATOM 12746 CA LEU B 283 130.469 220.742 225.533 1.00 50.75 C +ATOM 12747 C LEU B 283 131.593 219.718 225.384 1.00 50.88 C +ATOM 12748 O LEU B 283 132.767 220.084 225.346 1.00 48.51 O +ATOM 12749 CB LEU B 283 130.668 221.545 226.821 1.00 44.19 C +ATOM 12750 CG LEU B 283 129.891 222.864 226.933 1.00 54.72 C +ATOM 12751 CD1 LEU B 283 130.200 223.555 228.255 1.00 48.66 C +ATOM 12752 CD2 LEU B 283 130.202 223.796 225.770 1.00 48.75 C +ATOM 12753 H LEU B 283 128.926 219.751 226.266 1.00 53.80 H +ATOM 12754 HA LEU B 283 130.530 221.359 224.786 1.00 60.90 H +ATOM 12755 HB2 LEU B 283 130.399 220.989 227.569 1.00 53.03 H +ATOM 12756 HB3 LEU B 283 131.610 221.758 226.903 1.00 53.03 H +ATOM 12757 HG LEU B 283 128.941 222.670 226.914 1.00 65.67 H +ATOM 12758 HD11 LEU B 283 129.699 224.384 228.301 1.00 58.39 H +ATOM 12759 HD12 LEU B 283 129.942 222.970 228.984 1.00 58.39 H +ATOM 12760 HD13 LEU B 283 131.151 223.740 228.299 1.00 58.39 H +ATOM 12761 HD21 LEU B 283 129.694 224.615 225.878 1.00 58.50 H +ATOM 12762 HD22 LEU B 283 131.152 223.994 225.769 1.00 58.50 H +ATOM 12763 HD23 LEU B 283 129.954 223.359 224.940 1.00 58.50 H +ATOM 12764 N ARG B 284 131.237 218.441 225.293 1.00 47.42 N +ATOM 12765 CA ARG B 284 132.238 217.389 225.156 1.00 41.64 C +ATOM 12766 C ARG B 284 132.669 217.234 223.699 1.00 37.66 C +ATOM 12767 O ARG B 284 132.207 216.344 222.989 1.00 31.98 O +ATOM 12768 CB ARG B 284 131.700 216.067 225.707 1.00 40.13 C +ATOM 12769 CG ARG B 284 131.468 216.117 227.208 1.00 53.65 C +ATOM 12770 CD ARG B 284 131.040 214.787 227.786 1.00 45.90 C +ATOM 12771 NE ARG B 284 130.806 214.895 229.224 1.00 55.06 N +ATOM 12772 CZ ARG B 284 130.714 213.861 230.054 1.00 73.41 C +ATOM 12773 NH1 ARG B 284 130.842 212.621 229.603 1.00 80.84 N +ATOM 12774 NH2 ARG B 284 130.500 214.071 231.346 1.00 68.98 N +ATOM 12775 H ARG B 284 130.426 218.158 225.308 1.00 56.91 H +ATOM 12776 HA ARG B 284 133.021 217.631 225.674 1.00 49.97 H +ATOM 12777 HB2 ARG B 284 130.854 215.865 225.278 1.00 48.16 H +ATOM 12778 HB3 ARG B 284 132.342 215.363 225.525 1.00 48.16 H +ATOM 12779 HG2 ARG B 284 132.291 216.383 227.646 1.00 64.38 H +ATOM 12780 HG3 ARG B 284 130.769 216.763 227.397 1.00 64.38 H +ATOM 12781 HD2 ARG B 284 130.216 214.501 227.362 1.00 55.08 H +ATOM 12782 HD3 ARG B 284 131.740 214.132 227.638 1.00 55.08 H +ATOM 12783 HE ARG B 284 130.722 215.683 229.556 1.00 66.07 H +ATOM 12784 HH11 ARG B 284 130.982 212.481 228.766 1.00 97.01 H +ATOM 12785 HH12 ARG B 284 130.783 211.957 230.146 1.00 97.01 H +ATOM 12786 HH21 ARG B 284 130.417 214.873 231.643 1.00 82.78 H +ATOM 12787 HH22 ARG B 284 130.441 213.404 231.885 1.00 82.78 H +ATOM 12788 N PHE B 285 133.554 218.124 223.266 1.00 41.15 N +ATOM 12789 CA PHE B 285 134.084 218.095 221.910 1.00 39.41 C +ATOM 12790 C PHE B 285 134.894 216.827 221.660 1.00 37.41 C +ATOM 12791 O PHE B 285 135.632 216.366 222.530 1.00 32.39 O +ATOM 12792 CB PHE B 285 134.956 219.329 221.655 1.00 43.93 C +ATOM 12793 CG PHE B 285 134.180 220.614 221.527 1.00 51.34 C +ATOM 12794 CD1 PHE B 285 133.065 220.693 220.712 1.00 49.70 C +ATOM 12795 CD2 PHE B 285 134.575 221.745 222.221 1.00 50.72 C +ATOM 12796 CE1 PHE B 285 132.358 221.873 220.593 1.00 49.50 C +ATOM 12797 CE2 PHE B 285 133.869 222.927 222.106 1.00 59.17 C +ATOM 12798 CZ PHE B 285 132.760 222.991 221.291 1.00 50.70 C +ATOM 12799 H PHE B 285 133.868 218.765 223.747 1.00 49.38 H +ATOM 12800 HA PHE B 285 133.347 218.111 221.280 1.00 47.29 H +ATOM 12801 HB2 PHE B 285 135.577 219.430 222.393 1.00 52.72 H +ATOM 12802 HB3 PHE B 285 135.448 219.197 220.829 1.00 52.72 H +ATOM 12803 HD1 PHE B 285 132.788 219.942 220.238 1.00 59.64 H +ATOM 12804 HD2 PHE B 285 135.323 221.708 222.773 1.00 60.86 H +ATOM 12805 HE1 PHE B 285 131.609 221.914 220.043 1.00 59.41 H +ATOM 12806 HE2 PHE B 285 134.143 223.680 222.578 1.00 71.00 H +ATOM 12807 HZ PHE B 285 132.284 223.786 221.213 1.00 60.84 H +ATOM 12808 N ALA B 286 134.750 216.276 220.459 1.00 41.10 N +ATOM 12809 CA ALA B 286 135.446 215.055 220.072 1.00 41.90 C +ATOM 12810 C ALA B 286 136.460 215.332 218.968 1.00 35.02 C +ATOM 12811 O ALA B 286 136.118 215.873 217.917 1.00 32.21 O +ATOM 12812 CB ALA B 286 134.453 214.004 219.624 1.00 37.97 C +ATOM 12813 H ALA B 286 134.246 216.597 219.840 1.00 49.32 H +ATOM 12814 HA ALA B 286 135.926 214.707 220.840 1.00 50.28 H +ATOM 12815 HB1 ALA B 286 134.936 213.202 219.371 1.00 45.56 H +ATOM 12816 HB2 ALA B 286 133.848 213.810 220.356 1.00 45.56 H +ATOM 12817 HB3 ALA B 286 133.956 214.345 218.864 1.00 45.56 H +ATOM 12818 N VAL B 287 137.712 214.969 219.226 1.00 34.29 N +ATOM 12819 CA VAL B 287 138.783 215.117 218.250 1.00 33.57 C +ATOM 12820 C VAL B 287 139.655 213.864 218.246 1.00 35.33 C +ATOM 12821 O VAL B 287 139.393 212.920 218.992 1.00 31.53 O +ATOM 12822 CB VAL B 287 139.645 216.364 218.540 1.00 37.92 C +ATOM 12823 CG1 VAL B 287 138.809 217.633 218.385 1.00 38.79 C +ATOM 12824 CG2 VAL B 287 140.254 216.291 219.933 1.00 33.70 C +ATOM 12825 H VAL B 287 137.970 214.628 219.972 1.00 41.15 H +ATOM 12826 HA VAL B 287 138.395 215.218 217.366 1.00 40.28 H +ATOM 12827 HB VAL B 287 140.370 216.403 217.897 1.00 45.50 H +ATOM 12828 HG11 VAL B 287 139.368 218.404 218.572 1.00 46.55 H +ATOM 12829 HG12 VAL B 287 138.472 217.680 217.477 1.00 46.55 H +ATOM 12830 HG13 VAL B 287 138.069 217.601 219.012 1.00 46.55 H +ATOM 12831 HG21 VAL B 287 140.789 217.086 220.085 1.00 40.44 H +ATOM 12832 HG22 VAL B 287 139.540 216.241 220.587 1.00 40.44 H +ATOM 12833 HG23 VAL B 287 140.813 215.500 219.991 1.00 40.44 H +ATOM 12834 N GLY B 288 140.680 213.860 217.399 1.00 36.13 N +ATOM 12835 CA GLY B 288 141.546 212.705 217.235 1.00 38.01 C +ATOM 12836 C GLY B 288 142.109 212.173 218.541 1.00 29.42 C +ATOM 12837 O GLY B 288 141.959 210.993 218.850 1.00 28.82 O +ATOM 12838 H GLY B 288 140.895 214.527 216.900 1.00 43.36 H +ATOM 12839 HA2 GLY B 288 141.048 211.991 216.807 1.00 45.62 H +ATOM 12840 HA3 GLY B 288 142.290 212.944 216.660 1.00 45.62 H +ATOM 12841 N GLN B 289 142.742 213.050 219.310 1.00 27.59 N +ATOM 12842 CA GLN B 289 143.340 212.674 220.586 1.00 36.15 C +ATOM 12843 C GLN B 289 142.313 212.719 221.713 1.00 42.81 C +ATOM 12844 O GLN B 289 141.631 213.725 221.907 1.00 40.35 O +ATOM 12845 CB GLN B 289 144.517 213.596 220.911 1.00 34.34 C +ATOM 12846 CG GLN B 289 145.837 212.872 221.108 1.00 34.34 C +ATOM 12847 CD GLN B 289 145.953 212.221 222.468 1.00 34.60 C +ATOM 12848 OE1 GLN B 289 144.967 211.742 223.027 1.00 31.62 O +ATOM 12849 NE2 GLN B 289 147.165 212.205 223.013 1.00 42.10 N +ATOM 12850 H GLN B 289 142.841 213.882 219.113 1.00 33.11 H +ATOM 12851 HA GLN B 289 143.677 211.767 220.522 1.00 43.38 H +ATOM 12852 HB2 GLN B 289 144.631 214.225 220.181 1.00 41.21 H +ATOM 12853 HB3 GLN B 289 144.319 214.076 221.730 1.00 41.21 H +ATOM 12854 HG2 GLN B 289 145.921 212.179 220.435 1.00 41.21 H +ATOM 12855 HG3 GLN B 289 146.563 213.510 221.018 1.00 41.21 H +ATOM 12856 HE21 GLN B 289 147.830 212.553 222.593 1.00 50.52 H +ATOM 12857 HE22 GLN B 289 147.284 211.846 223.785 1.00 50.52 H +ATOM 12858 N GLU B 290 142.228 211.623 222.459 1.00 45.69 N +ATOM 12859 CA GLU B 290 141.233 211.466 223.516 1.00 39.85 C +ATOM 12860 C GLU B 290 141.419 212.436 224.685 1.00 45.40 C +ATOM 12861 O GLU B 290 140.476 212.686 225.437 1.00 44.36 O +ATOM 12862 CB GLU B 290 141.263 210.031 224.053 1.00 39.99 C +ATOM 12863 CG GLU B 290 140.776 208.973 223.072 1.00 67.90 C +ATOM 12864 CD GLU B 290 141.853 208.500 222.102 1.00 85.92 C +ATOM 12865 OE1 GLU B 290 142.865 209.213 221.915 1.00 58.33 O +ATOM 12866 OE2 GLU B 290 141.684 207.404 221.525 1.00 72.51 O +ATOM 12867 H GLU B 290 142.746 210.942 222.370 1.00 54.82 H +ATOM 12868 HA GLU B 290 140.353 211.622 223.139 1.00 47.82 H +ATOM 12869 HB2 GLU B 290 142.177 209.809 224.293 1.00 47.99 H +ATOM 12870 HB3 GLU B 290 140.699 209.983 224.840 1.00 47.99 H +ATOM 12871 HG2 GLU B 290 140.465 208.201 223.571 1.00 81.48 H +ATOM 12872 HG3 GLU B 290 140.047 209.342 222.549 1.00 81.48 H +ATOM 12873 N VAL B 291 142.625 212.977 224.838 1.00 39.71 N +ATOM 12874 CA VAL B 291 142.958 213.779 226.015 1.00 43.93 C +ATOM 12875 C VAL B 291 142.888 215.285 225.776 1.00 38.93 C +ATOM 12876 O VAL B 291 143.092 216.071 226.699 1.00 34.23 O +ATOM 12877 CB VAL B 291 144.379 213.447 226.535 1.00 43.26 C +ATOM 12878 CG1 VAL B 291 144.529 211.948 226.745 1.00 42.98 C +ATOM 12879 CG2 VAL B 291 145.452 213.961 225.573 1.00 40.23 C +ATOM 12880 H VAL B 291 143.269 212.896 224.274 1.00 47.65 H +ATOM 12881 HA VAL B 291 142.329 213.565 226.722 1.00 52.71 H +ATOM 12882 HB VAL B 291 144.511 213.883 227.391 1.00 51.91 H +ATOM 12883 HG11 VAL B 291 145.425 211.763 227.070 1.00 51.58 H +ATOM 12884 HG12 VAL B 291 143.874 211.653 227.397 1.00 51.58 H +ATOM 12885 HG13 VAL B 291 144.384 211.494 225.900 1.00 51.58 H +ATOM 12886 HG21 VAL B 291 146.326 213.737 225.928 1.00 48.28 H +ATOM 12887 HG22 VAL B 291 145.327 213.541 224.708 1.00 48.28 H +ATOM 12888 HG23 VAL B 291 145.365 214.924 225.490 1.00 48.28 H +ATOM 12889 N PHE B 292 142.605 215.692 224.544 1.00 33.64 N +ATOM 12890 CA PHE B 292 142.738 217.096 224.165 1.00 41.15 C +ATOM 12891 C PHE B 292 141.624 217.979 224.724 1.00 46.91 C +ATOM 12892 O PHE B 292 141.620 219.187 224.503 1.00 40.80 O +ATOM 12893 CB PHE B 292 142.797 217.229 222.640 1.00 31.21 C +ATOM 12894 CG PHE B 292 144.164 216.974 222.050 1.00 33.60 C +ATOM 12895 CD1 PHE B 292 145.228 216.567 222.840 1.00 35.41 C +ATOM 12896 CD2 PHE B 292 144.383 217.156 220.697 1.00 31.46 C +ATOM 12897 CE1 PHE B 292 146.473 216.346 222.292 1.00 35.81 C +ATOM 12898 CE2 PHE B 292 145.626 216.933 220.145 1.00 31.58 C +ATOM 12899 CZ PHE B 292 146.673 216.528 220.943 1.00 32.61 C +ATOM 12900 H PHE B 292 142.334 215.178 223.910 1.00 40.37 H +ATOM 12901 HA PHE B 292 143.578 217.430 224.519 1.00 49.38 H +ATOM 12902 HB2 PHE B 292 142.182 216.590 222.248 1.00 37.46 H +ATOM 12903 HB3 PHE B 292 142.533 218.130 222.396 1.00 37.46 H +ATOM 12904 HD1 PHE B 292 145.101 216.443 223.753 1.00 42.49 H +ATOM 12905 HD2 PHE B 292 143.681 217.430 220.151 1.00 37.75 H +ATOM 12906 HE1 PHE B 292 147.178 216.071 222.833 1.00 42.97 H +ATOM 12907 HE2 PHE B 292 145.759 217.058 219.233 1.00 37.90 H +ATOM 12908 HZ PHE B 292 147.511 216.377 220.571 1.00 39.13 H +ATOM 12909 N GLY B 293 140.696 217.381 225.463 1.00 55.91 N +ATOM 12910 CA GLY B 293 139.710 218.145 226.199 1.00 48.77 C +ATOM 12911 C GLY B 293 140.289 218.672 227.502 1.00 54.19 C +ATOM 12912 O GLY B 293 139.647 219.455 228.202 1.00 56.69 O +ATOM 12913 H GLY B 293 140.619 216.529 225.552 1.00 67.09 H +ATOM 12914 HA2 GLY B 293 139.412 218.898 225.664 1.00 58.52 H +ATOM 12915 HA3 GLY B 293 138.945 217.585 226.402 1.00 58.52 H +ATOM 12916 N LEU B 294 141.506 218.238 227.822 1.00 60.96 N +ATOM 12917 CA LEU B 294 142.194 218.624 229.054 1.00 63.28 C +ATOM 12918 C LEU B 294 142.266 220.135 229.237 1.00 58.97 C +ATOM 12919 O LEU B 294 141.866 220.652 230.280 1.00 64.27 O +ATOM 12920 CB LEU B 294 143.608 218.035 229.067 1.00 79.39 C +ATOM 12921 CG LEU B 294 144.498 218.353 230.273 1.00 82.63 C +ATOM 12922 CD1 LEU B 294 143.870 217.856 231.566 1.00 67.98 C +ATOM 12923 CD2 LEU B 294 145.887 217.750 230.084 1.00 59.90 C +ATOM 12924 H LEU B 294 141.966 217.705 227.327 1.00 73.15 H +ATOM 12925 HA LEU B 294 141.711 218.255 229.810 1.00 75.94 H +ATOM 12926 HB2 LEU B 294 143.531 217.069 229.020 1.00 95.26 H +ATOM 12927 HB3 LEU B 294 144.073 218.355 228.279 1.00 95.26 H +ATOM 12928 HG LEU B 294 144.599 219.316 230.342 1.00 99.16 H +ATOM 12929 HD11 LEU B 294 144.458 218.073 232.307 1.00 81.58 H +ATOM 12930 HD12 LEU B 294 143.011 218.290 231.687 1.00 81.58 H +ATOM 12931 HD13 LEU B 294 143.751 216.895 231.510 1.00 81.58 H +ATOM 12932 HD21 LEU B 294 146.431 217.964 230.858 1.00 71.88 H +ATOM 12933 HD22 LEU B 294 145.803 216.788 229.994 1.00 71.88 H +ATOM 12934 HD23 LEU B 294 146.287 218.124 229.284 1.00 71.88 H +ATOM 12935 N VAL B 295 142.771 220.839 228.229 1.00 52.33 N +ATOM 12936 CA VAL B 295 142.876 222.293 228.295 1.00 56.92 C +ATOM 12937 C VAL B 295 142.345 222.953 227.022 1.00 50.56 C +ATOM 12938 O VAL B 295 142.462 222.393 225.935 1.00 47.52 O +ATOM 12939 CB VAL B 295 144.328 222.748 228.523 1.00 53.99 C +ATOM 12940 CG1 VAL B 295 144.722 222.540 229.966 1.00 66.77 C +ATOM 12941 CG2 VAL B 295 145.275 222.019 227.590 1.00 54.16 C +ATOM 12942 H VAL B 295 143.061 220.498 227.494 1.00 62.80 H +ATOM 12943 HA VAL B 295 142.343 222.611 229.040 1.00 68.30 H +ATOM 12944 HB VAL B 295 144.392 223.697 228.331 1.00 64.79 H +ATOM 12945 HG11 VAL B 295 145.639 222.833 230.087 1.00 80.13 H +ATOM 12946 HG12 VAL B 295 144.131 223.059 230.533 1.00 80.13 H +ATOM 12947 HG13 VAL B 295 144.645 221.597 230.181 1.00 80.13 H +ATOM 12948 HG21 VAL B 295 146.180 222.327 227.757 1.00 64.99 H +ATOM 12949 HG22 VAL B 295 145.213 221.066 227.759 1.00 64.99 H +ATOM 12950 HG23 VAL B 295 145.024 222.211 226.673 1.00 64.99 H +ATOM 12951 N PRO B 296 141.755 224.155 227.153 1.00 50.42 N +ATOM 12952 CA PRO B 296 141.223 224.886 225.995 1.00 48.37 C +ATOM 12953 C PRO B 296 142.289 225.232 224.962 1.00 42.22 C +ATOM 12954 O PRO B 296 141.968 225.411 223.787 1.00 32.93 O +ATOM 12955 CB PRO B 296 140.645 226.162 226.622 1.00 67.43 C +ATOM 12956 CG PRO B 296 140.408 225.819 228.037 1.00 62.86 C +ATOM 12957 CD PRO B 296 141.481 224.868 228.413 1.00 61.36 C +ATOM 12958 HA PRO B 296 140.511 224.382 225.572 1.00 58.04 H +ATOM 12959 HB2 PRO B 296 141.289 226.884 226.547 1.00 80.91 H +ATOM 12960 HB3 PRO B 296 139.814 226.396 226.181 1.00 80.91 H +ATOM 12961 HG2 PRO B 296 140.460 226.622 228.578 1.00 75.43 H +ATOM 12962 HG3 PRO B 296 139.536 225.403 228.127 1.00 75.43 H +ATOM 12963 HD2 PRO B 296 142.270 225.347 228.709 1.00 73.63 H +ATOM 12964 HD3 PRO B 296 141.163 224.250 229.089 1.00 73.63 H +ATOM 12965 N GLY B 297 143.539 225.332 225.404 1.00 45.54 N +ATOM 12966 CA GLY B 297 144.643 225.628 224.510 1.00 36.80 C +ATOM 12967 C GLY B 297 144.850 224.517 223.502 1.00 31.17 C +ATOM 12968 O GLY B 297 145.192 224.766 222.346 1.00 33.84 O +ATOM 12969 H GLY B 297 143.772 225.230 226.225 1.00 54.64 H +ATOM 12970 HA2 GLY B 297 144.464 226.452 224.032 1.00 44.16 H +ATOM 12971 HA3 GLY B 297 145.459 225.737 225.024 1.00 44.16 H +ATOM 12972 N LEU B 298 144.648 223.281 223.941 1.00 29.07 N +ATOM 12973 CA LEU B 298 144.733 222.137 223.047 1.00 33.97 C +ATOM 12974 C LEU B 298 143.531 222.108 222.117 1.00 38.42 C +ATOM 12975 O LEU B 298 143.663 221.857 220.918 1.00 31.62 O +ATOM 12976 CB LEU B 298 144.816 220.833 223.841 1.00 29.87 C +ATOM 12977 CG LEU B 298 146.133 220.573 224.572 1.00 40.80 C +ATOM 12978 CD1 LEU B 298 146.002 219.346 225.461 1.00 46.27 C +ATOM 12979 CD2 LEU B 298 147.279 220.403 223.586 1.00 34.14 C +ATOM 12980 H LEU B 298 144.458 223.079 224.756 1.00 34.89 H +ATOM 12981 HA LEU B 298 145.534 222.214 222.505 1.00 40.77 H +ATOM 12982 HB2 LEU B 298 144.111 220.837 224.507 1.00 35.85 H +ATOM 12983 HB3 LEU B 298 144.675 220.094 223.228 1.00 35.85 H +ATOM 12984 HG LEU B 298 146.335 221.334 225.139 1.00 48.96 H +ATOM 12985 HD11 LEU B 298 146.844 219.195 225.917 1.00 55.52 H +ATOM 12986 HD12 LEU B 298 145.297 219.501 226.109 1.00 55.52 H +ATOM 12987 HD13 LEU B 298 145.782 218.579 224.909 1.00 55.52 H +ATOM 12988 HD21 LEU B 298 148.098 220.240 224.079 1.00 40.97 H +ATOM 12989 HD22 LEU B 298 147.086 219.650 223.006 1.00 40.97 H +ATOM 12990 HD23 LEU B 298 147.365 221.213 223.060 1.00 40.97 H +ATOM 12991 N MET B 299 142.357 222.369 222.677 1.00 36.04 N +ATOM 12992 CA MET B 299 141.130 222.352 221.898 1.00 29.58 C +ATOM 12993 C MET B 299 141.143 223.478 220.866 1.00 27.87 C +ATOM 12994 O MET B 299 140.498 223.377 219.824 1.00 29.13 O +ATOM 12995 CB MET B 299 139.915 222.465 222.819 1.00 36.24 C +ATOM 12996 CG MET B 299 138.582 222.155 222.149 1.00 66.10 C +ATOM 12997 SD MET B 299 138.510 220.532 221.362 1.00 38.57 S +ATOM 12998 CE MET B 299 138.835 219.457 222.751 1.00 40.07 C +ATOM 12999 H MET B 299 142.244 222.560 223.508 1.00 43.25 H +ATOM 13000 HA MET B 299 141.069 221.503 221.432 1.00 35.50 H +ATOM 13001 HB2 MET B 299 140.025 221.844 223.556 1.00 43.49 H +ATOM 13002 HB3 MET B 299 139.868 223.372 223.160 1.00 43.49 H +ATOM 13003 HG2 MET B 299 137.881 222.190 222.818 1.00 79.33 H +ATOM 13004 HG3 MET B 299 138.415 222.822 221.465 1.00 79.33 H +ATOM 13005 HE1 MET B 299 139.707 219.672 223.118 1.00 48.08 H +ATOM 13006 HE2 MET B 299 138.150 219.594 223.423 1.00 48.08 H +ATOM 13007 HE3 MET B 299 138.822 218.536 222.447 1.00 48.08 H +ATOM 13008 N MET B 300 141.891 224.541 221.150 1.00 28.55 N +ATOM 13009 CA MET B 300 142.058 225.629 220.194 1.00 30.16 C +ATOM 13010 C MET B 300 142.767 225.134 218.940 1.00 36.10 C +ATOM 13011 O MET B 300 142.279 225.323 217.829 1.00 36.10 O +ATOM 13012 CB MET B 300 142.849 226.785 220.814 1.00 29.99 C +ATOM 13013 CG MET B 300 143.059 227.975 219.875 1.00 27.63 C +ATOM 13014 SD MET B 300 144.362 229.099 220.417 1.00 40.12 S +ATOM 13015 CE MET B 300 145.812 228.069 220.193 1.00 44.15 C +ATOM 13016 H MET B 300 142.312 224.655 221.891 1.00 34.26 H +ATOM 13017 HA MET B 300 141.183 225.967 219.947 1.00 36.19 H +ATOM 13018 HB2 MET B 300 142.372 227.105 221.595 1.00 35.99 H +ATOM 13019 HB3 MET B 300 143.724 226.458 221.076 1.00 35.99 H +ATOM 13020 HG2 MET B 300 143.300 227.642 218.996 1.00 33.15 H +ATOM 13021 HG3 MET B 300 142.233 228.480 219.821 1.00 33.15 H +ATOM 13022 HE1 MET B 300 145.724 227.277 220.746 1.00 52.99 H +ATOM 13023 HE2 MET B 300 145.878 227.816 219.259 1.00 52.99 H +ATOM 13024 HE3 MET B 300 146.599 228.571 220.456 1.00 52.99 H +ATOM 13025 N TYR B 301 143.925 224.506 219.118 1.00 30.89 N +ATOM 13026 CA TYR B 301 144.694 224.013 217.982 1.00 28.50 C +ATOM 13027 C TYR B 301 143.954 222.896 217.258 1.00 25.74 C +ATOM 13028 O TYR B 301 144.020 222.793 216.034 1.00 25.98 O +ATOM 13029 CB TYR B 301 146.074 223.528 218.429 1.00 31.08 C +ATOM 13030 CG TYR B 301 147.111 224.623 218.452 1.00 20.27 C +ATOM 13031 CD1 TYR B 301 147.555 225.202 217.273 1.00 24.13 C +ATOM 13032 CD2 TYR B 301 147.644 225.080 219.647 1.00 25.71 C +ATOM 13033 CE1 TYR B 301 148.497 226.205 217.282 1.00 24.49 C +ATOM 13034 CE2 TYR B 301 148.590 226.084 219.666 1.00 24.88 C +ATOM 13035 CZ TYR B 301 149.013 226.642 218.480 1.00 24.53 C +ATOM 13036 OH TYR B 301 149.956 227.640 218.492 1.00 29.77 O +ATOM 13037 H TYR B 301 144.286 224.352 219.883 1.00 37.07 H +ATOM 13038 HA TYR B 301 144.824 224.740 217.353 1.00 34.20 H +ATOM 13039 HB2 TYR B 301 146.004 223.164 219.325 1.00 37.30 H +ATOM 13040 HB3 TYR B 301 146.380 222.841 217.816 1.00 37.30 H +ATOM 13041 HD1 TYR B 301 147.207 224.910 216.461 1.00 28.96 H +ATOM 13042 HD2 TYR B 301 147.359 224.705 220.449 1.00 30.85 H +ATOM 13043 HE1 TYR B 301 148.785 226.583 216.483 1.00 29.39 H +ATOM 13044 HE2 TYR B 301 148.940 226.381 220.474 1.00 29.85 H +ATOM 13045 HH TYR B 301 150.184 227.810 219.282 1.00 35.72 H +ATOM 13046 N ALA B 302 143.252 222.064 218.016 1.00 25.23 N +ATOM 13047 CA ALA B 302 142.431 221.016 217.429 1.00 27.42 C +ATOM 13048 C ALA B 302 141.369 221.646 216.536 1.00 32.42 C +ATOM 13049 O ALA B 302 141.116 221.172 215.428 1.00 26.31 O +ATOM 13050 CB ALA B 302 141.789 220.169 218.508 1.00 30.06 C +ATOM 13051 H ALA B 302 143.235 222.085 218.876 1.00 30.28 H +ATOM 13052 HA ALA B 302 142.988 220.441 216.881 1.00 32.90 H +ATOM 13053 HB1 ALA B 302 141.249 219.481 218.088 1.00 36.07 H +ATOM 13054 HB2 ALA B 302 142.486 219.761 219.045 1.00 36.07 H +ATOM 13055 HB3 ALA B 302 141.231 220.736 219.063 1.00 36.07 H +ATOM 13056 N THR B 303 140.762 222.723 217.025 1.00 30.94 N +ATOM 13057 CA THR B 303 139.784 223.475 216.251 1.00 27.86 C +ATOM 13058 C THR B 303 140.424 224.046 214.989 1.00 30.07 C +ATOM 13059 O THR B 303 139.890 223.892 213.892 1.00 27.40 O +ATOM 13060 CB THR B 303 139.168 224.621 217.082 1.00 33.70 C +ATOM 13061 OG1 THR B 303 138.433 224.072 218.182 1.00 31.53 O +ATOM 13062 CG2 THR B 303 138.231 225.477 216.237 1.00 38.31 C +ATOM 13063 H THR B 303 140.902 223.041 217.812 1.00 37.12 H +ATOM 13064 HA THR B 303 139.068 222.880 215.982 1.00 33.43 H +ATOM 13065 HB THR B 303 139.877 225.189 217.422 1.00 40.44 H +ATOM 13066 HG1 THR B 303 138.944 223.619 218.672 1.00 37.83 H +ATOM 13067 HG21 THR B 303 137.855 226.189 216.778 1.00 45.97 H +ATOM 13068 HG22 THR B 303 138.718 225.868 215.495 1.00 45.97 H +ATOM 13069 HG23 THR B 303 137.509 224.932 215.888 1.00 45.97 H +ATOM 13070 N ILE B 304 141.573 224.694 215.151 1.00 29.00 N +ATOM 13071 CA ILE B 304 142.267 225.317 214.029 1.00 27.68 C +ATOM 13072 C ILE B 304 142.617 224.294 212.954 1.00 31.75 C +ATOM 13073 O ILE B 304 142.379 224.527 211.768 1.00 28.96 O +ATOM 13074 CB ILE B 304 143.555 226.036 214.492 1.00 32.03 C +ATOM 13075 CG1 ILE B 304 143.194 227.267 215.326 1.00 30.30 C +ATOM 13076 CG2 ILE B 304 144.414 226.452 213.287 1.00 41.54 C +ATOM 13077 CD1 ILE B 304 144.381 228.018 215.899 1.00 38.61 C +ATOM 13078 H ILE B 304 141.974 224.787 215.906 1.00 34.79 H +ATOM 13079 HA ILE B 304 141.683 225.981 213.629 1.00 33.21 H +ATOM 13080 HB ILE B 304 144.070 225.427 215.044 1.00 38.43 H +ATOM 13081 HG12 ILE B 304 142.698 227.885 214.766 1.00 36.36 H +ATOM 13082 HG13 ILE B 304 142.639 226.985 216.070 1.00 36.36 H +ATOM 13083 HG21 ILE B 304 145.213 226.899 213.608 1.00 49.85 H +ATOM 13084 HG22 ILE B 304 144.658 225.659 212.785 1.00 49.85 H +ATOM 13085 HG23 ILE B 304 143.901 227.054 212.726 1.00 49.85 H +ATOM 13086 HD11 ILE B 304 144.058 228.777 216.409 1.00 46.34 H +ATOM 13087 HD12 ILE B 304 144.884 227.421 216.475 1.00 46.34 H +ATOM 13088 HD13 ILE B 304 144.943 228.324 215.169 1.00 46.34 H +ATOM 13089 N TRP B 305 143.183 223.164 213.368 1.00 31.20 N +ATOM 13090 CA TRP B 305 143.604 222.138 212.420 1.00 28.06 C +ATOM 13091 C TRP B 305 142.403 221.459 211.759 1.00 22.22 C +ATOM 13092 O TRP B 305 142.480 221.067 210.598 1.00 28.14 O +ATOM 13093 CB TRP B 305 144.494 221.092 213.107 1.00 27.33 C +ATOM 13094 CG TRP B 305 145.917 221.541 213.293 1.00 21.81 C +ATOM 13095 CD1 TRP B 305 146.526 221.873 214.469 1.00 28.42 C +ATOM 13096 CD2 TRP B 305 146.906 221.713 212.270 1.00 18.29 C +ATOM 13097 NE1 TRP B 305 147.831 222.238 214.242 1.00 23.61 N +ATOM 13098 CE2 TRP B 305 148.088 222.149 212.899 1.00 20.77 C +ATOM 13099 CE3 TRP B 305 146.907 221.540 210.883 1.00 24.77 C +ATOM 13100 CZ2 TRP B 305 149.257 222.414 212.190 1.00 21.90 C +ATOM 13101 CZ3 TRP B 305 148.068 221.803 210.182 1.00 23.02 C +ATOM 13102 CH2 TRP B 305 149.227 222.236 210.836 1.00 22.06 C +ATOM 13103 H TRP B 305 143.334 222.968 214.191 1.00 37.44 H +ATOM 13104 HA TRP B 305 144.128 222.557 211.720 1.00 33.67 H +ATOM 13105 HB2 TRP B 305 144.128 220.895 213.983 1.00 32.80 H +ATOM 13106 HB3 TRP B 305 144.506 220.287 212.566 1.00 32.80 H +ATOM 13107 HD1 TRP B 305 146.117 221.854 215.304 1.00 34.10 H +ATOM 13108 HE1 TRP B 305 148.394 222.483 214.844 1.00 28.33 H +ATOM 13109 HE3 TRP B 305 146.140 221.254 210.440 1.00 29.73 H +ATOM 13110 HZ2 TRP B 305 150.030 222.700 212.623 1.00 26.29 H +ATOM 13111 HZ3 TRP B 305 148.079 221.692 209.258 1.00 27.62 H +ATOM 13112 HH2 TRP B 305 149.995 222.405 210.338 1.00 26.47 H +ATOM 13113 N LEU B 306 141.301 221.324 212.488 1.00 27.35 N +ATOM 13114 CA LEU B 306 140.070 220.790 211.903 1.00 29.93 C +ATOM 13115 C LEU B 306 139.593 221.682 210.760 1.00 30.69 C +ATOM 13116 O LEU B 306 139.227 221.197 209.689 1.00 31.24 O +ATOM 13117 CB LEU B 306 138.968 220.666 212.956 1.00 30.08 C +ATOM 13118 CG LEU B 306 137.619 220.154 212.435 1.00 42.73 C +ATOM 13119 CD1 LEU B 306 137.682 218.668 212.134 1.00 43.63 C +ATOM 13120 CD2 LEU B 306 136.505 220.453 213.416 1.00 41.22 C +ATOM 13121 H LEU B 306 141.236 221.531 213.320 1.00 32.83 H +ATOM 13122 HA LEU B 306 140.246 219.906 211.544 1.00 35.91 H +ATOM 13123 HB2 LEU B 306 139.268 220.051 213.644 1.00 36.10 H +ATOM 13124 HB3 LEU B 306 138.817 221.541 213.348 1.00 36.10 H +ATOM 13125 HG LEU B 306 137.412 220.614 211.606 1.00 51.28 H +ATOM 13126 HD11 LEU B 306 136.816 218.375 211.808 1.00 52.36 H +ATOM 13127 HD12 LEU B 306 138.361 218.511 211.460 1.00 52.36 H +ATOM 13128 HD13 LEU B 306 137.907 218.191 212.948 1.00 52.36 H +ATOM 13129 HD21 LEU B 306 135.669 220.118 213.056 1.00 49.46 H +ATOM 13130 HD22 LEU B 306 136.702 220.017 214.259 1.00 49.46 H +ATOM 13131 HD23 LEU B 306 136.448 221.413 213.545 1.00 49.46 H +ATOM 13132 N ARG B 307 139.594 222.987 211.001 1.00 31.55 N +ATOM 13133 CA ARG B 307 139.197 223.954 209.986 1.00 30.88 C +ATOM 13134 C ARG B 307 140.103 223.867 208.764 1.00 32.82 C +ATOM 13135 O ARG B 307 139.638 223.960 207.628 1.00 26.35 O +ATOM 13136 CB ARG B 307 139.225 225.370 210.559 1.00 30.42 C +ATOM 13137 CG ARG B 307 138.212 225.605 211.662 1.00 32.73 C +ATOM 13138 CD ARG B 307 138.437 226.946 212.333 1.00 34.33 C +ATOM 13139 NE ARG B 307 137.467 227.205 213.391 1.00 35.29 N +ATOM 13140 CZ ARG B 307 137.360 228.360 214.039 1.00 41.79 C +ATOM 13141 NH1 ARG B 307 138.160 229.373 213.736 1.00 38.85 N +ATOM 13142 NH2 ARG B 307 136.448 228.504 214.991 1.00 38.11 N +ATOM 13143 H ARG B 307 139.823 223.342 211.750 1.00 37.86 H +ATOM 13144 HA ARG B 307 138.290 223.761 209.703 1.00 37.06 H +ATOM 13145 HB2 ARG B 307 140.107 225.541 210.925 1.00 36.50 H +ATOM 13146 HB3 ARG B 307 139.038 225.999 209.845 1.00 36.50 H +ATOM 13147 HG2 ARG B 307 137.318 225.599 211.284 1.00 39.28 H +ATOM 13148 HG3 ARG B 307 138.299 224.910 212.332 1.00 39.28 H +ATOM 13149 HD2 ARG B 307 139.323 226.959 212.726 1.00 41.20 H +ATOM 13150 HD3 ARG B 307 138.355 227.650 211.670 1.00 41.20 H +ATOM 13151 HE ARG B 307 136.918 226.576 213.597 1.00 42.35 H +ATOM 13152 HH11 ARG B 307 138.753 229.282 213.119 1.00 46.62 H +ATOM 13153 HH12 ARG B 307 138.087 230.119 214.157 1.00 46.62 H +ATOM 13154 HH21 ARG B 307 135.927 227.849 215.189 1.00 45.73 H +ATOM 13155 HH22 ARG B 307 136.378 229.252 215.409 1.00 45.73 H +ATOM 13156 N GLU B 308 141.398 223.684 209.003 1.00 29.02 N +ATOM 13157 CA GLU B 308 142.361 223.565 207.916 1.00 30.48 C +ATOM 13158 C GLU B 308 142.064 222.355 207.033 1.00 33.64 C +ATOM 13159 O GLU B 308 142.149 222.447 205.810 1.00 33.82 O +ATOM 13160 CB GLU B 308 143.788 223.475 208.468 1.00 31.58 C +ATOM 13161 CG GLU B 308 144.869 223.278 207.406 1.00 33.46 C +ATOM 13162 CD GLU B 308 144.967 224.435 206.429 1.00 37.10 C +ATOM 13163 OE1 GLU B 308 144.408 225.515 206.712 1.00 39.87 O +ATOM 13164 OE2 GLU B 308 145.610 224.262 205.374 1.00 34.24 O +ATOM 13165 H GLU B 308 141.745 223.626 209.788 1.00 34.82 H +ATOM 13166 HA GLU B 308 142.306 224.358 207.361 1.00 36.57 H +ATOM 13167 HB2 GLU B 308 143.989 224.297 208.942 1.00 37.90 H +ATOM 13168 HB3 GLU B 308 143.837 222.724 209.080 1.00 37.90 H +ATOM 13169 HG2 GLU B 308 145.729 223.185 207.846 1.00 40.15 H +ATOM 13170 HG3 GLU B 308 144.669 222.475 206.899 1.00 40.15 H +ATOM 13171 N HIS B 309 141.721 221.223 207.642 1.00 29.21 N +ATOM 13172 CA HIS B 309 141.412 220.030 206.861 1.00 29.73 C +ATOM 13173 C HIS B 309 140.232 220.274 205.929 1.00 29.73 C +ATOM 13174 O HIS B 309 140.286 219.943 204.746 1.00 33.50 O +ATOM 13175 CB HIS B 309 141.097 218.831 207.755 1.00 28.37 C +ATOM 13176 CG HIS B 309 140.587 217.648 206.993 1.00 25.14 C +ATOM 13177 ND1 HIS B 309 141.422 216.768 206.340 1.00 26.25 N +ATOM 13178 CD2 HIS B 309 139.326 217.226 206.742 1.00 28.44 C +ATOM 13179 CE1 HIS B 309 140.699 215.841 205.739 1.00 29.51 C +ATOM 13180 NE2 HIS B 309 139.424 216.097 205.965 1.00 26.45 N +ATOM 13181 H HIS B 309 141.659 221.120 208.494 1.00 35.05 H +ATOM 13182 HA HIS B 309 142.181 219.803 206.316 1.00 35.67 H +ATOM 13183 HB2 HIS B 309 141.906 218.562 208.218 1.00 34.05 H +ATOM 13184 HB3 HIS B 309 140.418 219.088 208.398 1.00 34.05 H +ATOM 13185 HD2 HIS B 309 138.541 217.620 207.046 1.00 34.13 H +ATOM 13186 HE1 HIS B 309 141.031 215.131 205.239 1.00 35.41 H +ATOM 13187 HE2 HIS B 309 138.761 215.630 205.677 1.00 31.74 H +ATOM 13188 N ASN B 310 139.161 220.848 206.466 1.00 33.83 N +ATOM 13189 CA ASN B 310 137.969 221.103 205.671 1.00 35.91 C +ATOM 13190 C ASN B 310 138.203 222.221 204.659 1.00 38.36 C +ATOM 13191 O ASN B 310 137.587 222.235 203.594 1.00 37.69 O +ATOM 13192 CB ASN B 310 136.783 221.437 206.579 1.00 35.75 C +ATOM 13193 CG ASN B 310 136.310 220.234 207.385 1.00 37.92 C +ATOM 13194 OD1 ASN B 310 136.643 219.091 207.071 1.00 30.04 O +ATOM 13195 ND2 ASN B 310 135.526 220.489 208.426 1.00 31.83 N +ATOM 13196 H ASN B 310 139.100 221.097 207.286 1.00 40.59 H +ATOM 13197 HA ASN B 310 137.746 220.299 205.177 1.00 43.09 H +ATOM 13198 HB2 ASN B 310 137.046 222.132 207.202 1.00 42.90 H +ATOM 13199 HB3 ASN B 310 136.042 221.743 206.032 1.00 42.90 H +ATOM 13200 HD21 ASN B 310 135.233 219.844 208.912 1.00 38.19 H +ATOM 13201 HD22 ASN B 310 135.312 221.301 208.614 1.00 38.19 H +ATOM 13202 N ARG B 311 139.104 223.145 204.981 1.00 34.90 N +ATOM 13203 CA ARG B 311 139.503 224.174 204.028 1.00 27.10 C +ATOM 13204 C ARG B 311 140.245 223.548 202.849 1.00 35.27 C +ATOM 13205 O ARG B 311 139.988 223.887 201.696 1.00 38.61 O +ATOM 13206 CB ARG B 311 140.386 225.231 204.695 1.00 32.49 C +ATOM 13207 CG ARG B 311 140.682 226.434 203.802 1.00 28.13 C +ATOM 13208 CD ARG B 311 141.768 227.326 204.385 1.00 35.05 C +ATOM 13209 NE ARG B 311 143.088 226.705 204.301 1.00 34.11 N +ATOM 13210 CZ ARG B 311 143.909 226.802 203.259 1.00 36.76 C +ATOM 13211 NH1 ARG B 311 143.565 227.506 202.189 1.00 40.93 N +ATOM 13212 NH2 ARG B 311 145.085 226.192 203.285 1.00 48.31 N +ATOM 13213 H ARG B 311 139.497 223.197 205.744 1.00 41.88 H +ATOM 13214 HA ARG B 311 138.710 224.615 203.686 1.00 32.52 H +ATOM 13215 HB2 ARG B 311 139.938 225.556 205.492 1.00 38.99 H +ATOM 13216 HB3 ARG B 311 141.233 224.824 204.936 1.00 38.99 H +ATOM 13217 HG2 ARG B 311 140.982 226.120 202.935 1.00 33.75 H +ATOM 13218 HG3 ARG B 311 139.876 226.964 203.705 1.00 33.75 H +ATOM 13219 HD2 ARG B 311 141.794 228.160 203.890 1.00 42.06 H +ATOM 13220 HD3 ARG B 311 141.572 227.498 205.319 1.00 42.06 H +ATOM 13221 HE ARG B 311 143.354 226.242 204.976 1.00 40.93 H +ATOM 13222 HH11 ARG B 311 142.802 227.903 202.163 1.00 49.12 H +ATOM 13223 HH12 ARG B 311 144.103 227.563 201.520 1.00 49.12 H +ATOM 13224 HH21 ARG B 311 145.317 225.735 203.976 1.00 57.97 H +ATOM 13225 HH22 ARG B 311 145.618 226.256 202.614 1.00 57.97 H +ATOM 13226 N VAL B 312 141.167 222.635 203.144 1.00 34.02 N +ATOM 13227 CA VAL B 312 141.947 221.972 202.104 1.00 28.80 C +ATOM 13228 C VAL B 312 141.036 221.110 201.236 1.00 25.45 C +ATOM 13229 O VAL B 312 141.267 220.967 200.036 1.00 31.37 O +ATOM 13230 CB VAL B 312 143.085 221.109 202.708 1.00 35.24 C +ATOM 13231 CG1 VAL B 312 143.688 220.166 201.662 1.00 36.59 C +ATOM 13232 CG2 VAL B 312 144.167 222.001 203.289 1.00 28.85 C +ATOM 13233 H VAL B 312 141.361 222.381 203.943 1.00 40.83 H +ATOM 13234 HA VAL B 312 142.352 222.646 201.536 1.00 34.56 H +ATOM 13235 HB VAL B 312 142.724 220.568 203.427 1.00 42.29 H +ATOM 13236 HG11 VAL B 312 144.394 219.645 202.077 1.00 43.91 H +ATOM 13237 HG12 VAL B 312 142.993 219.577 201.331 1.00 43.91 H +ATOM 13238 HG13 VAL B 312 144.051 220.694 200.934 1.00 43.91 H +ATOM 13239 HG21 VAL B 312 144.869 221.444 203.661 1.00 34.61 H +ATOM 13240 HG22 VAL B 312 144.528 222.560 202.583 1.00 34.61 H +ATOM 13241 HG23 VAL B 312 143.780 222.554 203.984 1.00 34.61 H +ATOM 13242 N CYS B 313 140.005 220.536 201.844 1.00 33.37 N +ATOM 13243 CA CYS B 313 139.016 219.768 201.096 1.00 40.12 C +ATOM 13244 C CYS B 313 138.327 220.640 200.053 1.00 37.07 C +ATOM 13245 O CYS B 313 138.138 220.220 198.912 1.00 33.42 O +ATOM 13246 CB CYS B 313 137.980 219.162 202.039 1.00 38.34 C +ATOM 13247 SG CYS B 313 138.552 217.703 202.909 1.00 40.46 S +ATOM 13248 H CYS B 313 139.854 220.576 202.690 1.00 40.05 H +ATOM 13249 HA CYS B 313 139.463 219.042 200.634 1.00 48.14 H +ATOM 13250 HB2 CYS B 313 137.736 219.826 202.703 1.00 46.00 H +ATOM 13251 HB3 CYS B 313 137.198 218.911 201.523 1.00 46.00 H +ATOM 13252 HG CYS B 313 137.673 217.303 203.621 1.00 48.55 H +ATOM 13253 N ASP B 314 137.951 221.854 200.450 1.00 33.94 N +ATOM 13254 CA ASP B 314 137.342 222.807 199.528 1.00 31.60 C +ATOM 13255 C ASP B 314 138.280 223.103 198.365 1.00 34.17 C +ATOM 13256 O ASP B 314 137.860 223.109 197.209 1.00 39.65 O +ATOM 13257 CB ASP B 314 136.979 224.109 200.247 1.00 33.54 C +ATOM 13258 CG ASP B 314 135.793 223.957 201.179 1.00 35.76 C +ATOM 13259 OD1 ASP B 314 134.948 223.070 200.938 1.00 39.22 O +ATOM 13260 OD2 ASP B 314 135.704 224.734 202.151 1.00 36.61 O +ATOM 13261 H ASP B 314 138.039 222.150 201.252 1.00 40.72 H +ATOM 13262 HA ASP B 314 136.527 222.423 199.169 1.00 37.92 H +ATOM 13263 HB2 ASP B 314 137.739 224.401 200.775 1.00 40.25 H +ATOM 13264 HB3 ASP B 314 136.756 224.783 199.586 1.00 40.25 H +ATOM 13265 N VAL B 315 139.548 223.349 198.676 1.00 32.59 N +ATOM 13266 CA VAL B 315 140.546 223.626 197.653 1.00 31.25 C +ATOM 13267 C VAL B 315 140.652 222.468 196.666 1.00 39.09 C +ATOM 13268 O VAL B 315 140.599 222.670 195.455 1.00 44.93 O +ATOM 13269 CB VAL B 315 141.931 223.893 198.276 1.00 32.46 C +ATOM 13270 CG1 VAL B 315 143.001 224.048 197.194 1.00 35.01 C +ATOM 13271 CG2 VAL B 315 141.886 225.133 199.153 1.00 33.83 C +ATOM 13272 H VAL B 315 139.856 223.360 199.479 1.00 39.11 H +ATOM 13273 HA VAL B 315 140.281 224.418 197.160 1.00 37.50 H +ATOM 13274 HB VAL B 315 142.177 223.139 198.835 1.00 38.96 H +ATOM 13275 HG11 VAL B 315 143.857 224.214 197.618 1.00 42.01 H +ATOM 13276 HG12 VAL B 315 143.042 223.231 196.672 1.00 42.01 H +ATOM 13277 HG13 VAL B 315 142.764 224.794 196.621 1.00 42.01 H +ATOM 13278 HG21 VAL B 315 142.766 225.282 199.534 1.00 40.60 H +ATOM 13279 HG22 VAL B 315 141.627 225.894 198.610 1.00 40.60 H +ATOM 13280 HG23 VAL B 315 141.238 224.995 199.861 1.00 40.60 H +ATOM 13281 N LEU B 316 140.797 221.257 197.191 1.00 40.12 N +ATOM 13282 CA LEU B 316 141.027 220.086 196.353 1.00 38.34 C +ATOM 13283 C LEU B 316 139.825 219.763 195.471 1.00 39.15 C +ATOM 13284 O LEU B 316 139.983 219.257 194.360 1.00 31.97 O +ATOM 13285 CB LEU B 316 141.377 218.879 197.223 1.00 37.49 C +ATOM 13286 CG LEU B 316 142.802 218.867 197.783 1.00 31.83 C +ATOM 13287 CD1 LEU B 316 142.948 217.786 198.839 1.00 35.89 C +ATOM 13288 CD2 LEU B 316 143.815 218.660 196.669 1.00 31.65 C +ATOM 13289 H LEU B 316 140.766 221.086 198.033 1.00 48.15 H +ATOM 13290 HA LEU B 316 141.783 220.262 195.771 1.00 46.00 H +ATOM 13291 HB2 LEU B 316 140.768 218.857 197.978 1.00 44.99 H +ATOM 13292 HB3 LEU B 316 141.266 218.075 196.693 1.00 44.99 H +ATOM 13293 HG LEU B 316 142.986 219.722 198.202 1.00 38.19 H +ATOM 13294 HD11 LEU B 316 143.857 217.797 199.178 1.00 43.07 H +ATOM 13295 HD12 LEU B 316 142.323 217.963 199.560 1.00 43.07 H +ATOM 13296 HD13 LEU B 316 142.755 216.924 198.437 1.00 43.07 H +ATOM 13297 HD21 LEU B 316 144.707 218.656 197.051 1.00 37.97 H +ATOM 13298 HD22 LEU B 316 143.637 217.811 196.235 1.00 37.97 H +ATOM 13299 HD23 LEU B 316 143.732 219.384 196.029 1.00 37.97 H +ATOM 13300 N LYS B 317 138.628 220.055 195.965 1.00 43.93 N +ATOM 13301 CA LYS B 317 137.412 219.796 195.204 1.00 51.88 C +ATOM 13302 C LYS B 317 137.355 220.688 193.968 1.00 53.90 C +ATOM 13303 O LYS B 317 136.950 220.249 192.892 1.00 50.95 O +ATOM 13304 CB LYS B 317 136.176 220.018 196.072 1.00 50.29 C +ATOM 13305 CG LYS B 317 134.882 219.640 195.382 1.00 58.62 C +ATOM 13306 CD LYS B 317 133.718 219.603 196.358 1.00 65.54 C +ATOM 13307 CE LYS B 317 132.672 218.588 195.935 1.00 69.74 C +ATOM 13308 NZ LYS B 317 133.210 217.198 195.929 1.00 72.04 N +ATOM 13309 H LYS B 317 138.492 220.403 196.739 1.00 52.72 H +ATOM 13310 HA LYS B 317 137.412 218.872 194.909 1.00 62.25 H +ATOM 13311 HB2 LYS B 317 136.255 219.479 196.874 1.00 60.35 H +ATOM 13312 HB3 LYS B 317 136.123 220.957 196.309 1.00 60.35 H +ATOM 13313 HG2 LYS B 317 134.682 220.295 194.695 1.00 70.34 H +ATOM 13314 HG3 LYS B 317 134.976 218.758 194.987 1.00 70.34 H +ATOM 13315 HD2 LYS B 317 134.045 219.355 197.237 1.00 78.65 H +ATOM 13316 HD3 LYS B 317 133.299 220.477 196.389 1.00 78.65 H +ATOM 13317 HE2 LYS B 317 131.928 218.621 196.556 1.00 83.69 H +ATOM 13318 HE3 LYS B 317 132.369 218.799 195.038 1.00 83.69 H +ATOM 13319 HZ1 LYS B 317 132.575 216.627 195.677 1.00 86.45 H +ATOM 13320 HZ2 LYS B 317 133.893 217.139 195.361 1.00 86.45 H +ATOM 13321 HZ3 LYS B 317 133.491 216.977 196.744 1.00 86.45 H +ATOM 13322 N GLN B 318 137.757 221.942 194.135 1.00 50.61 N +ATOM 13323 CA GLN B 318 137.864 222.870 193.020 1.00 53.54 C +ATOM 13324 C GLN B 318 138.861 222.340 191.996 1.00 53.04 C +ATOM 13325 O GLN B 318 138.671 222.488 190.790 1.00 69.97 O +ATOM 13326 CB GLN B 318 138.298 224.252 193.513 1.00 61.72 C +ATOM 13327 CG GLN B 318 138.398 225.315 192.419 1.00 81.23 C +ATOM 13328 CD GLN B 318 139.446 226.371 192.717 1.00 89.93 C +ATOM 13329 OE1 GLN B 318 139.904 226.511 193.851 1.00 89.51 O +ATOM 13330 NE2 GLN B 318 139.836 227.118 191.692 1.00 94.49 N +ATOM 13331 H GLN B 318 137.977 222.282 194.893 1.00 60.73 H +ATOM 13332 HA GLN B 318 137.000 222.956 192.589 1.00 64.25 H +ATOM 13333 HB2 GLN B 318 137.654 224.564 194.168 1.00 74.06 H +ATOM 13334 HB3 GLN B 318 139.172 224.174 193.927 1.00 74.06 H +ATOM 13335 HG2 GLN B 318 138.634 224.885 191.582 1.00 97.48 H +ATOM 13336 HG3 GLN B 318 137.540 225.760 192.333 1.00 97.48 H +ATOM 13337 HE21 GLN B 318 139.497 226.989 190.912 1.00113.39 H +ATOM 13338 HE22 GLN B 318 140.428 227.731 191.807 1.00113.39 H +ATOM 13339 N GLU B 319 139.927 221.721 192.490 1.00 49.46 N +ATOM 13340 CA GLU B 319 140.970 221.182 191.625 1.00 50.41 C +ATOM 13341 C GLU B 319 140.531 219.875 190.986 1.00 44.30 C +ATOM 13342 O GLU B 319 140.906 219.572 189.856 1.00 49.83 O +ATOM 13343 CB GLU B 319 142.259 220.964 192.417 1.00 48.27 C +ATOM 13344 CG GLU B 319 142.888 222.245 192.923 1.00 53.81 C +ATOM 13345 CD GLU B 319 143.260 223.184 191.796 1.00 58.48 C +ATOM 13346 OE1 GLU B 319 144.133 222.815 190.983 1.00 45.29 O +ATOM 13347 OE2 GLU B 319 142.672 224.284 191.716 1.00 63.95 O +ATOM 13348 H GLU B 319 140.071 221.599 193.329 1.00 59.35 H +ATOM 13349 HA GLU B 319 141.154 221.818 190.916 1.00 60.49 H +ATOM 13350 HB2 GLU B 319 142.064 220.406 193.186 1.00 57.92 H +ATOM 13351 HB3 GLU B 319 142.906 220.522 191.846 1.00 57.92 H +ATOM 13352 HG2 GLU B 319 142.257 222.702 193.501 1.00 64.57 H +ATOM 13353 HG3 GLU B 319 143.696 222.030 193.416 1.00 64.57 H +ATOM 13354 N HIS B 320 139.731 219.107 191.716 1.00 46.36 N +ATOM 13355 CA HIS B 320 139.330 217.776 191.277 1.00 54.72 C +ATOM 13356 C HIS B 320 137.844 217.539 191.502 1.00 53.77 C +ATOM 13357 O HIS B 320 137.459 216.810 192.415 1.00 48.21 O +ATOM 13358 CB HIS B 320 140.148 216.712 192.007 1.00 44.34 C +ATOM 13359 CG HIS B 320 141.622 216.827 191.776 1.00 41.69 C +ATOM 13360 ND1 HIS B 320 142.239 216.328 190.651 1.00 38.45 N +ATOM 13361 CD2 HIS B 320 142.600 217.389 192.524 1.00 38.41 C +ATOM 13362 CE1 HIS B 320 143.534 216.574 190.716 1.00 40.26 C +ATOM 13363 NE2 HIS B 320 143.780 217.216 191.844 1.00 46.42 N +ATOM 13364 H HIS B 320 139.404 219.335 192.478 1.00 55.63 H +ATOM 13365 HA HIS B 320 139.507 217.691 190.327 1.00 65.66 H +ATOM 13366 HB2 HIS B 320 139.989 216.795 192.960 1.00 53.20 H +ATOM 13367 HB3 HIS B 320 139.867 215.836 191.701 1.00 53.20 H +ATOM 13368 HD1 HIS B 320 141.842 215.919 190.006 1.00 46.14 H +ATOM 13369 HD2 HIS B 320 142.493 217.810 193.347 1.00 46.09 H +ATOM 13370 HE1 HIS B 320 144.167 216.336 190.077 1.00 48.31 H +ATOM 13371 HE2 HIS B 320 144.553 217.484 192.108 1.00 55.71 H +ATOM 13372 N PRO B 321 136.999 218.151 190.660 1.00 55.45 N +ATOM 13373 CA PRO B 321 135.551 217.937 190.767 1.00 53.93 C +ATOM 13374 C PRO B 321 135.154 216.479 190.553 1.00 47.46 C +ATOM 13375 O PRO B 321 134.019 216.112 190.847 1.00 52.42 O +ATOM 13376 CB PRO B 321 134.977 218.834 189.657 1.00 49.04 C +ATOM 13377 CG PRO B 321 136.112 219.091 188.728 1.00 52.23 C +ATOM 13378 CD PRO B 321 137.342 219.085 189.574 1.00 58.64 C +ATOM 13379 HA PRO B 321 135.226 218.240 191.629 1.00 64.72 H +ATOM 13380 HB2 PRO B 321 134.260 218.368 189.201 1.00 58.85 H +ATOM 13381 HB3 PRO B 321 134.656 219.664 190.043 1.00 58.85 H +ATOM 13382 HG2 PRO B 321 136.153 218.386 188.062 1.00 62.68 H +ATOM 13383 HG3 PRO B 321 135.995 219.955 188.303 1.00 62.68 H +ATOM 13384 HD2 PRO B 321 138.100 218.753 189.069 1.00 70.37 H +ATOM 13385 HD3 PRO B 321 137.512 219.971 189.931 1.00 70.37 H +ATOM 13386 N GLU B 322 136.085 215.665 190.060 1.00 43.84 N +ATOM 13387 CA GLU B 322 135.817 214.261 189.762 1.00 44.18 C +ATOM 13388 C GLU B 322 136.170 213.332 190.922 1.00 48.88 C +ATOM 13389 O GLU B 322 135.893 212.135 190.868 1.00 47.69 O +ATOM 13390 CB GLU B 322 136.584 213.829 188.502 1.00 46.06 C +ATOM 13391 CG GLU B 322 138.096 213.619 188.680 1.00 41.34 C +ATOM 13392 CD GLU B 322 138.872 214.913 188.842 1.00 45.01 C +ATOM 13393 OE1 GLU B 322 138.250 215.995 188.862 1.00 50.69 O +ATOM 13394 OE2 GLU B 322 140.113 214.849 188.949 1.00 46.20 O +ATOM 13395 H GLU B 322 136.892 215.907 189.886 1.00 52.61 H +ATOM 13396 HA GLU B 322 134.869 214.158 189.580 1.00 53.02 H +ATOM 13397 HB2 GLU B 322 136.210 212.991 188.189 1.00 55.28 H +ATOM 13398 HB3 GLU B 322 136.465 214.511 187.822 1.00 55.28 H +ATOM 13399 HG2 GLU B 322 138.246 213.081 189.473 1.00 49.61 H +ATOM 13400 HG3 GLU B 322 138.443 213.160 187.900 1.00 49.61 H +ATOM 13401 N TRP B 323 136.786 213.878 191.968 1.00 55.25 N +ATOM 13402 CA TRP B 323 137.228 213.071 193.105 1.00 45.21 C +ATOM 13403 C TRP B 323 136.097 212.738 194.069 1.00 46.99 C +ATOM 13404 O TRP B 323 135.223 213.562 194.331 1.00 36.24 O +ATOM 13405 CB TRP B 323 138.339 213.789 193.874 1.00 37.02 C +ATOM 13406 CG TRP B 323 139.710 213.600 193.309 1.00 32.97 C +ATOM 13407 CD1 TRP B 323 140.040 212.985 192.137 1.00 37.62 C +ATOM 13408 CD2 TRP B 323 140.941 214.027 193.899 1.00 34.28 C +ATOM 13409 NE1 TRP B 323 141.401 213.004 191.960 1.00 34.66 N +ATOM 13410 CE2 TRP B 323 141.977 213.639 193.029 1.00 38.24 C +ATOM 13411 CE3 TRP B 323 141.268 214.700 195.078 1.00 30.70 C +ATOM 13412 CZ2 TRP B 323 143.315 213.902 193.300 1.00 31.06 C +ATOM 13413 CZ3 TRP B 323 142.593 214.959 195.345 1.00 27.20 C +ATOM 13414 CH2 TRP B 323 143.602 214.561 194.460 1.00 28.13 C +ATOM 13415 H TRP B 323 136.960 214.717 192.045 1.00 66.30 H +ATOM 13416 HA TRP B 323 137.590 212.235 192.772 1.00 54.26 H +ATOM 13417 HB2 TRP B 323 138.151 214.741 193.875 1.00 44.42 H +ATOM 13418 HB3 TRP B 323 138.349 213.458 194.786 1.00 44.42 H +ATOM 13419 HD1 TRP B 323 139.431 212.608 191.544 1.00 45.15 H +ATOM 13420 HE1 TRP B 323 141.822 212.673 191.288 1.00 41.59 H +ATOM 13421 HE3 TRP B 323 140.604 214.968 195.672 1.00 36.84 H +ATOM 13422 HZ2 TRP B 323 143.988 213.639 192.715 1.00 37.27 H +ATOM 13423 HZ3 TRP B 323 142.822 215.407 196.127 1.00 32.64 H +ATOM 13424 HH2 TRP B 323 144.489 214.751 194.668 1.00 33.75 H +ATOM 13425 N GLY B 324 136.140 211.523 194.604 1.00 39.78 N +ATOM 13426 CA GLY B 324 135.196 211.098 195.617 1.00 36.85 C +ATOM 13427 C GLY B 324 135.614 211.559 196.999 1.00 35.16 C +ATOM 13428 O GLY B 324 136.700 212.111 197.179 1.00 31.79 O +ATOM 13429 H GLY B 324 136.716 210.921 194.391 1.00 47.74 H +ATOM 13430 HA2 GLY B 324 134.320 211.465 195.419 1.00 44.22 H +ATOM 13431 HA3 GLY B 324 135.134 210.130 195.618 1.00 44.22 H +ATOM 13432 N ASP B 325 134.744 211.326 197.975 1.00 31.43 N +ATOM 13433 CA ASP B 325 135.001 211.695 199.362 1.00 35.34 C +ATOM 13434 C ASP B 325 136.292 211.077 199.894 1.00 38.18 C +ATOM 13435 O ASP B 325 137.038 211.718 200.632 1.00 37.10 O +ATOM 13436 CB ASP B 325 133.813 211.273 200.234 1.00 29.43 C +ATOM 13437 CG ASP B 325 134.144 211.253 201.713 1.00 36.58 C +ATOM 13438 OD1 ASP B 325 134.156 212.332 202.336 1.00 33.06 O +ATOM 13439 OD2 ASP B 325 134.376 210.154 202.257 1.00 35.83 O +ATOM 13440 H ASP B 325 133.981 210.947 197.856 1.00 37.71 H +ATOM 13441 HA ASP B 325 135.086 212.660 199.420 1.00 42.40 H +ATOM 13442 HB2 ASP B 325 133.084 211.898 200.099 1.00 35.32 H +ATOM 13443 HB3 ASP B 325 133.536 210.379 199.978 1.00 35.32 H +ATOM 13444 N GLU B 326 136.558 209.833 199.513 1.00 35.27 N +ATOM 13445 CA GLU B 326 137.704 209.106 200.048 1.00 38.88 C +ATOM 13446 C GLU B 326 139.032 209.756 199.662 1.00 37.10 C +ATOM 13447 O GLU B 326 139.867 210.022 200.526 1.00 34.01 O +ATOM 13448 CB GLU B 326 137.678 207.650 199.574 1.00 36.39 C +ATOM 13449 CG GLU B 326 138.804 206.783 200.131 1.00 36.25 C +ATOM 13450 CD GLU B 326 138.733 206.610 201.635 1.00 29.66 C +ATOM 13451 OE1 GLU B 326 137.693 206.954 202.233 1.00 39.01 O +ATOM 13452 OE2 GLU B 326 139.720 206.126 202.223 1.00 34.72 O +ATOM 13453 H GLU B 326 136.091 209.387 198.946 1.00 42.32 H +ATOM 13454 HA GLU B 326 137.646 209.103 201.016 1.00 46.66 H +ATOM 13455 HB2 GLU B 326 136.837 207.250 199.845 1.00 43.67 H +ATOM 13456 HB3 GLU B 326 137.749 207.638 198.606 1.00 43.67 H +ATOM 13457 HG2 GLU B 326 138.753 205.902 199.726 1.00 43.50 H +ATOM 13458 HG3 GLU B 326 139.655 207.196 199.918 1.00 43.50 H +ATOM 13459 N GLN B 327 139.233 210.008 198.372 1.00 31.22 N +ATOM 13460 CA GLN B 327 140.497 210.565 197.904 1.00 33.86 C +ATOM 13461 C GLN B 327 140.681 212.000 198.391 1.00 33.07 C +ATOM 13462 O GLN B 327 141.803 212.436 198.637 1.00 34.77 O +ATOM 13463 CB GLN B 327 140.588 210.512 196.378 1.00 33.19 C +ATOM 13464 CG GLN B 327 141.944 210.938 195.840 1.00 32.61 C +ATOM 13465 CD GLN B 327 142.162 210.548 194.390 1.00 33.21 C +ATOM 13466 OE1 GLN B 327 141.223 210.185 193.681 1.00 36.73 O +ATOM 13467 NE2 GLN B 327 143.410 210.617 193.945 1.00 31.87 N +ATOM 13468 H GLN B 327 138.655 209.867 197.750 1.00 37.47 H +ATOM 13469 HA GLN B 327 141.225 210.034 198.264 1.00 40.64 H +ATOM 13470 HB2 GLN B 327 140.424 209.602 196.085 1.00 39.82 H +ATOM 13471 HB3 GLN B 327 139.918 211.105 196.002 1.00 39.82 H +ATOM 13472 HG2 GLN B 327 142.018 211.903 195.904 1.00 39.13 H +ATOM 13473 HG3 GLN B 327 142.639 210.518 196.370 1.00 39.13 H +ATOM 13474 HE21 GLN B 327 144.041 210.872 194.470 1.00 38.25 H +ATOM 13475 HE22 GLN B 327 143.588 210.406 193.130 1.00 38.25 H +ATOM 13476 N LEU B 328 139.578 212.726 198.532 1.00 38.05 N +ATOM 13477 CA LEU B 328 139.624 214.084 199.060 1.00 35.33 C +ATOM 13478 C LEU B 328 140.103 214.085 200.509 1.00 34.72 C +ATOM 13479 O LEU B 328 140.939 214.903 200.893 1.00 30.74 O +ATOM 13480 CB LEU B 328 138.251 214.747 198.957 1.00 32.57 C +ATOM 13481 CG LEU B 328 137.799 215.121 197.544 1.00 42.98 C +ATOM 13482 CD1 LEU B 328 136.291 215.292 197.495 1.00 45.72 C +ATOM 13483 CD2 LEU B 328 138.498 216.393 197.076 1.00 36.28 C +ATOM 13484 H LEU B 328 138.788 212.454 198.328 1.00 45.66 H +ATOM 13485 HA LEU B 328 140.250 214.607 198.535 1.00 42.40 H +ATOM 13486 HB2 LEU B 328 137.589 214.138 199.322 1.00 39.09 H +ATOM 13487 HB3 LEU B 328 138.264 215.562 199.483 1.00 39.09 H +ATOM 13488 HG LEU B 328 138.040 214.405 196.935 1.00 51.57 H +ATOM 13489 HD11 LEU B 328 136.030 215.528 196.591 1.00 54.87 H +ATOM 13490 HD12 LEU B 328 135.871 214.457 197.754 1.00 54.87 H +ATOM 13491 HD13 LEU B 328 136.034 215.997 198.109 1.00 54.87 H +ATOM 13492 HD21 LEU B 328 138.195 216.608 196.180 1.00 43.54 H +ATOM 13493 HD22 LEU B 328 138.275 217.116 197.683 1.00 43.54 H +ATOM 13494 HD23 LEU B 328 139.456 216.245 197.075 1.00 43.54 H +ATOM 13495 N PHE B 329 139.572 213.167 201.312 1.00 30.57 N +ATOM 13496 CA PHE B 329 139.996 213.044 202.701 1.00 32.83 C +ATOM 13497 C PHE B 329 141.471 212.674 202.807 1.00 30.87 C +ATOM 13498 O PHE B 329 142.244 213.364 203.470 1.00 27.26 O +ATOM 13499 CB PHE B 329 139.163 211.996 203.444 1.00 32.18 C +ATOM 13500 CG PHE B 329 139.689 211.679 204.814 1.00 30.44 C +ATOM 13501 CD1 PHE B 329 139.427 212.520 205.881 1.00 27.22 C +ATOM 13502 CD2 PHE B 329 140.462 210.552 205.031 1.00 27.00 C +ATOM 13503 CE1 PHE B 329 139.919 212.238 207.140 1.00 26.51 C +ATOM 13504 CE2 PHE B 329 140.957 210.266 206.288 1.00 27.41 C +ATOM 13505 CZ PHE B 329 140.684 211.111 207.345 1.00 22.87 C +ATOM 13506 H PHE B 329 138.967 212.604 201.076 1.00 36.69 H +ATOM 13507 HA PHE B 329 139.868 213.897 203.146 1.00 39.39 H +ATOM 13508 HB2 PHE B 329 138.256 212.327 203.542 1.00 38.62 H +ATOM 13509 HB3 PHE B 329 139.160 211.175 202.928 1.00 38.62 H +ATOM 13510 HD1 PHE B 329 138.912 213.283 205.749 1.00 32.67 H +ATOM 13511 HD2 PHE B 329 140.650 209.980 204.322 1.00 32.40 H +ATOM 13512 HE1 PHE B 329 139.733 212.809 207.851 1.00 31.81 H +ATOM 13513 HE2 PHE B 329 141.473 209.504 206.423 1.00 32.89 H +ATOM 13514 HZ PHE B 329 141.014 210.919 208.193 1.00 27.44 H +ATOM 13515 N GLN B 330 141.849 211.578 202.157 1.00 31.33 N +ATOM 13516 CA GLN B 330 143.211 211.063 202.238 1.00 34.58 C +ATOM 13517 C GLN B 330 144.230 212.083 201.740 1.00 30.31 C +ATOM 13518 O GLN B 330 145.266 212.287 202.366 1.00 27.46 O +ATOM 13519 CB GLN B 330 143.345 209.769 201.431 1.00 29.95 C +ATOM 13520 CG GLN B 330 142.464 208.626 201.914 1.00 20.37 C +ATOM 13521 CD GLN B 330 142.914 208.036 203.233 1.00 26.20 C +ATOM 13522 OE1 GLN B 330 144.013 208.309 203.712 1.00 31.41 O +ATOM 13523 NE2 GLN B 330 142.061 207.216 203.828 1.00 32.90 N +ATOM 13524 H GLN B 330 141.328 211.110 201.658 1.00 37.60 H +ATOM 13525 HA GLN B 330 143.417 210.861 203.164 1.00 41.50 H +ATOM 13526 HB2 GLN B 330 143.108 209.953 200.509 1.00 35.94 H +ATOM 13527 HB3 GLN B 330 144.266 209.469 201.478 1.00 35.94 H +ATOM 13528 HG2 GLN B 330 141.558 208.955 202.028 1.00 24.44 H +ATOM 13529 HG3 GLN B 330 142.477 207.918 201.251 1.00 24.44 H +ATOM 13530 HE21 GLN B 330 141.302 207.046 203.462 1.00 39.48 H +ATOM 13531 HE22 GLN B 330 142.267 206.853 204.580 1.00 39.48 H +ATOM 13532 N THR B 331 143.934 212.724 200.616 1.00 34.78 N +ATOM 13533 CA THR B 331 144.866 213.678 200.029 1.00 31.87 C +ATOM 13534 C THR B 331 145.018 214.900 200.931 1.00 29.88 C +ATOM 13535 O THR B 331 146.102 215.469 201.036 1.00 32.05 O +ATOM 13536 CB THR B 331 144.415 214.115 198.624 1.00 29.76 C +ATOM 13537 OG1 THR B 331 144.270 212.960 197.790 1.00 27.35 O +ATOM 13538 CG2 THR B 331 145.435 215.058 197.992 1.00 31.88 C +ATOM 13539 H THR B 331 143.202 212.625 200.174 1.00 41.74 H +ATOM 13540 HA THR B 331 145.736 213.258 199.946 1.00 38.25 H +ATOM 13541 HB THR B 331 143.565 214.578 198.686 1.00 35.72 H +ATOM 13542 HG1 THR B 331 143.696 212.441 198.115 1.00 32.82 H +ATOM 13543 HG21 THR B 331 145.137 215.324 197.108 1.00 38.25 H +ATOM 13544 HG22 THR B 331 145.538 215.850 198.542 1.00 38.25 H +ATOM 13545 HG23 THR B 331 146.293 214.613 197.915 1.00 38.25 H +ATOM 13546 N SER B 332 143.932 215.290 201.591 1.00 26.42 N +ATOM 13547 CA SER B 332 143.970 216.407 202.527 1.00 29.79 C +ATOM 13548 C SER B 332 144.875 216.089 203.708 1.00 29.48 C +ATOM 13549 O SER B 332 145.621 216.945 204.176 1.00 29.81 O +ATOM 13550 CB SER B 332 142.564 216.748 203.028 1.00 34.67 C +ATOM 13551 OG SER B 332 141.826 217.452 202.047 1.00 35.81 O +ATOM 13552 H SER B 332 143.158 214.923 201.513 1.00 31.70 H +ATOM 13553 HA SER B 332 144.327 217.188 202.076 1.00 35.75 H +ATOM 13554 HB2 SER B 332 142.098 215.924 203.241 1.00 41.60 H +ATOM 13555 HB3 SER B 332 142.639 217.300 203.822 1.00 41.60 H +ATOM 13556 HG SER B 332 141.058 217.631 202.338 1.00 42.98 H +ATOM 13557 N ARG B 333 144.797 214.853 204.189 1.00 35.68 N +ATOM 13558 CA ARG B 333 145.607 214.418 205.317 1.00 29.08 C +ATOM 13559 C ARG B 333 147.094 214.476 204.977 1.00 26.90 C +ATOM 13560 O ARG B 333 147.906 214.920 205.788 1.00 20.88 O +ATOM 13561 CB ARG B 333 145.213 213.004 205.743 1.00 37.03 C +ATOM 13562 CG ARG B 333 146.099 212.409 206.831 1.00 38.87 C +ATOM 13563 CD ARG B 333 145.522 211.115 207.383 1.00 31.01 C +ATOM 13564 NE ARG B 333 146.159 210.735 208.640 1.00 29.33 N +ATOM 13565 CZ ARG B 333 145.768 209.723 209.407 1.00 26.84 C +ATOM 13566 NH1 ARG B 333 144.735 208.969 209.053 1.00 27.10 N +ATOM 13567 NH2 ARG B 333 146.414 209.465 210.534 1.00 29.64 N +ATOM 13568 H ARG B 333 144.278 214.243 203.876 1.00 42.82 H +ATOM 13569 HA ARG B 333 145.448 215.012 206.067 1.00 34.90 H +ATOM 13570 HB2 ARG B 333 144.304 213.023 206.081 1.00 44.43 H +ATOM 13571 HB3 ARG B 333 145.263 212.421 204.970 1.00 44.43 H +ATOM 13572 HG2 ARG B 333 146.974 212.216 206.460 1.00 46.64 H +ATOM 13573 HG3 ARG B 333 146.177 213.042 207.562 1.00 46.64 H +ATOM 13574 HD2 ARG B 333 144.573 211.233 207.547 1.00 37.21 H +ATOM 13575 HD3 ARG B 333 145.666 210.402 206.742 1.00 37.21 H +ATOM 13576 HE ARG B 333 146.834 211.199 208.902 1.00 35.20 H +ATOM 13577 HH11 ARG B 333 144.312 209.134 208.323 1.00 32.51 H +ATOM 13578 HH12 ARG B 333 144.488 208.315 209.554 1.00 32.51 H +ATOM 13579 HH21 ARG B 333 147.084 209.950 210.766 1.00 35.56 H +ATOM 13580 HH22 ARG B 333 146.165 208.809 211.031 1.00 35.56 H +ATOM 13581 N LEU B 334 147.449 214.031 203.777 1.00 22.37 N +ATOM 13582 CA LEU B 334 148.836 214.072 203.337 1.00 24.98 C +ATOM 13583 C LEU B 334 149.331 215.512 203.251 1.00 33.25 C +ATOM 13584 O LEU B 334 150.492 215.796 203.545 1.00 34.89 O +ATOM 13585 CB LEU B 334 148.997 213.374 201.985 1.00 26.60 C +ATOM 13586 CG LEU B 334 148.801 211.853 201.951 1.00 28.96 C +ATOM 13587 CD1 LEU B 334 149.087 211.322 200.557 1.00 29.45 C +ATOM 13588 CD2 LEU B 334 149.681 211.150 202.972 1.00 28.78 C +ATOM 13589 H LEU B 334 146.904 213.700 203.199 1.00 26.85 H +ATOM 13590 HA LEU B 334 149.387 213.603 203.984 1.00 29.98 H +ATOM 13591 HB2 LEU B 334 148.353 213.758 201.370 1.00 31.92 H +ATOM 13592 HB3 LEU B 334 149.893 213.552 201.659 1.00 31.92 H +ATOM 13593 HG LEU B 334 147.876 211.650 202.163 1.00 34.75 H +ATOM 13594 HD11 LEU B 334 148.958 210.361 200.553 1.00 35.35 H +ATOM 13595 HD12 LEU B 334 148.478 211.741 199.928 1.00 35.35 H +ATOM 13596 HD13 LEU B 334 150.004 211.535 200.320 1.00 35.35 H +ATOM 13597 HD21 LEU B 334 149.526 210.194 202.917 1.00 34.54 H +ATOM 13598 HD22 LEU B 334 150.610 211.347 202.776 1.00 34.54 H +ATOM 13599 HD23 LEU B 334 149.454 211.472 203.858 1.00 34.54 H +ATOM 13600 N ILE B 335 148.448 216.423 202.858 1.00 35.96 N +ATOM 13601 CA ILE B 335 148.807 217.829 202.773 1.00 32.49 C +ATOM 13602 C ILE B 335 149.013 218.410 204.168 1.00 32.54 C +ATOM 13603 O ILE B 335 149.987 219.122 204.410 1.00 29.95 O +ATOM 13604 CB ILE B 335 147.735 218.635 202.006 1.00 35.63 C +ATOM 13605 CG1 ILE B 335 147.868 218.364 200.505 1.00 37.28 C +ATOM 13606 CG2 ILE B 335 147.874 220.135 202.270 1.00 26.74 C +ATOM 13607 CD1 ILE B 335 146.698 218.843 199.679 1.00 35.33 C +ATOM 13608 H ILE B 335 147.635 216.251 202.636 1.00 43.15 H +ATOM 13609 HA ILE B 335 149.644 217.910 202.289 1.00 38.98 H +ATOM 13610 HB ILE B 335 146.857 218.346 202.299 1.00 42.76 H +ATOM 13611 HG12 ILE B 335 148.663 218.812 200.178 1.00 44.74 H +ATOM 13612 HG13 ILE B 335 147.953 217.407 200.369 1.00 44.74 H +ATOM 13613 HG21 ILE B 335 147.187 220.608 201.774 1.00 32.09 H +ATOM 13614 HG22 ILE B 335 147.769 220.299 203.220 1.00 32.09 H +ATOM 13615 HG23 ILE B 335 148.753 220.426 201.978 1.00 32.09 H +ATOM 13616 HD11 ILE B 335 146.863 218.632 198.747 1.00 42.40 H +ATOM 13617 HD12 ILE B 335 145.893 218.394 199.982 1.00 42.40 H +ATOM 13618 HD13 ILE B 335 146.605 219.802 199.791 1.00 42.40 H +ATOM 13619 N LEU B 336 148.104 218.100 205.086 1.00 27.56 N +ATOM 13620 CA LEU B 336 148.194 218.634 206.440 1.00 32.37 C +ATOM 13621 C LEU B 336 149.406 218.071 207.184 1.00 28.89 C +ATOM 13622 O LEU B 336 149.968 218.740 208.048 1.00 25.91 O +ATOM 13623 CB LEU B 336 146.911 218.348 207.224 1.00 29.61 C +ATOM 13624 CG LEU B 336 145.904 219.505 207.255 1.00 32.01 C +ATOM 13625 CD1 LEU B 336 145.288 219.731 205.884 1.00 28.30 C +ATOM 13626 CD2 LEU B 336 144.820 219.255 208.289 1.00 25.98 C +ATOM 13627 H LEU B 336 147.429 217.585 204.952 1.00 33.08 H +ATOM 13628 HA LEU B 336 148.300 219.597 206.388 1.00 38.84 H +ATOM 13629 HB2 LEU B 336 146.468 217.584 206.824 1.00 35.53 H +ATOM 13630 HB3 LEU B 336 147.149 218.142 208.142 1.00 35.53 H +ATOM 13631 HG LEU B 336 146.371 220.317 207.506 1.00 38.41 H +ATOM 13632 HD11 LEU B 336 144.659 220.467 205.939 1.00 33.96 H +ATOM 13633 HD12 LEU B 336 145.993 219.944 205.253 1.00 33.96 H +ATOM 13634 HD13 LEU B 336 144.830 218.922 205.607 1.00 33.96 H +ATOM 13635 HD21 LEU B 336 144.201 220.002 208.284 1.00 31.18 H +ATOM 13636 HD22 LEU B 336 144.352 218.435 208.064 1.00 31.18 H +ATOM 13637 HD23 LEU B 336 145.231 219.172 209.164 1.00 31.18 H +ATOM 13638 N ILE B 337 149.812 216.850 206.844 1.00 28.50 N +ATOM 13639 CA ILE B 337 151.038 216.276 207.390 1.00 38.18 C +ATOM 13640 C ILE B 337 152.227 217.121 206.945 1.00 28.99 C +ATOM 13641 O ILE B 337 153.073 217.492 207.755 1.00 27.53 O +ATOM 13642 CB ILE B 337 151.227 214.804 206.949 1.00 31.57 C +ATOM 13643 CG1 ILE B 337 150.263 213.897 207.718 1.00 21.85 C +ATOM 13644 CG2 ILE B 337 152.672 214.332 207.181 1.00 28.89 C +ATOM 13645 CD1 ILE B 337 150.174 212.491 207.179 1.00 25.89 C +ATOM 13646 H ILE B 337 149.394 216.333 206.298 1.00 34.20 H +ATOM 13647 HA ILE B 337 150.996 216.298 208.359 1.00 45.81 H +ATOM 13648 HB ILE B 337 151.028 214.736 206.002 1.00 37.88 H +ATOM 13649 HG12 ILE B 337 150.558 213.842 208.641 1.00 26.22 H +ATOM 13650 HG13 ILE B 337 149.375 214.285 207.681 1.00 26.22 H +ATOM 13651 HG21 ILE B 337 152.752 213.409 206.894 1.00 34.67 H +ATOM 13652 HG22 ILE B 337 153.273 214.893 206.667 1.00 34.67 H +ATOM 13653 HG23 ILE B 337 152.878 214.405 208.126 1.00 34.67 H +ATOM 13654 HD11 ILE B 337 149.546 211.986 207.719 1.00 31.07 H +ATOM 13655 HD12 ILE B 337 149.867 212.524 206.259 1.00 31.07 H +ATOM 13656 HD13 ILE B 337 151.051 212.080 207.221 1.00 31.07 H +ATOM 13657 N GLY B 338 152.278 217.424 205.653 1.00 30.85 N +ATOM 13658 CA GLY B 338 153.322 218.271 205.105 1.00 29.78 C +ATOM 13659 C GLY B 338 153.333 219.656 205.722 1.00 28.71 C +ATOM 13660 O GLY B 338 154.397 220.199 206.015 1.00 28.97 O +ATOM 13661 H GLY B 338 151.710 217.148 205.069 1.00 37.02 H +ATOM 13662 HA2 GLY B 338 154.186 217.859 205.261 1.00 35.73 H +ATOM 13663 HA3 GLY B 338 153.194 218.362 204.148 1.00 35.73 H +ATOM 13664 N GLU B 339 152.150 220.231 205.911 1.00 33.85 N +ATOM 13665 CA GLU B 339 152.021 221.530 206.564 1.00 29.67 C +ATOM 13666 C GLU B 339 152.616 221.495 207.961 1.00 29.37 C +ATOM 13667 O GLU B 339 153.270 222.445 208.391 1.00 25.60 O +ATOM 13668 CB GLU B 339 150.556 221.958 206.657 1.00 34.71 C +ATOM 13669 CG GLU B 339 149.916 222.347 205.340 1.00 38.07 C +ATOM 13670 CD GLU B 339 148.504 222.857 205.525 1.00 41.67 C +ATOM 13671 OE1 GLU B 339 148.313 223.800 206.320 1.00 39.98 O +ATOM 13672 OE2 GLU B 339 147.585 222.309 204.884 1.00 38.80 O +ATOM 13673 H GLU B 339 151.400 219.886 205.669 1.00 40.61 H +ATOM 13674 HA GLU B 339 152.499 222.196 206.046 1.00 35.60 H +ATOM 13675 HB2 GLU B 339 150.042 221.222 207.025 1.00 41.65 H +ATOM 13676 HB3 GLU B 339 150.495 222.724 207.249 1.00 41.65 H +ATOM 13677 HG2 GLU B 339 150.440 223.052 204.927 1.00 45.68 H +ATOM 13678 HG3 GLU B 339 149.883 221.571 204.760 1.00 45.68 H +ATOM 13679 N THR B 340 152.371 220.397 208.666 1.00 23.46 N +ATOM 13680 CA THR B 340 152.839 220.246 210.038 1.00 29.39 C +ATOM 13681 C THR B 340 154.358 220.258 210.090 1.00 22.98 C +ATOM 13682 O THR B 340 154.955 221.038 210.827 1.00 23.36 O +ATOM 13683 CB THR B 340 152.316 218.940 210.670 1.00 31.55 C +ATOM 13684 OG1 THR B 340 150.893 218.877 210.530 1.00 28.38 O +ATOM 13685 CG2 THR B 340 152.676 218.868 212.148 1.00 27.75 C +ATOM 13686 H THR B 340 151.933 219.719 208.370 1.00 28.15 H +ATOM 13687 HA THR B 340 152.512 220.989 210.569 1.00 35.27 H +ATOM 13688 HB THR B 340 152.718 218.180 210.220 1.00 37.86 H +ATOM 13689 HG1 THR B 340 150.683 218.894 209.717 1.00 34.05 H +ATOM 13690 HG21 THR B 340 152.341 218.043 212.531 1.00 33.30 H +ATOM 13691 HG22 THR B 340 153.639 218.898 212.256 1.00 33.30 H +ATOM 13692 HG23 THR B 340 152.282 219.618 212.621 1.00 33.30 H +ATOM 13693 N ILE B 341 154.978 219.393 209.297 1.00 23.01 N +ATOM 13694 CA ILE B 341 156.431 219.287 209.259 1.00 31.69 C +ATOM 13695 C ILE B 341 157.049 220.623 208.839 1.00 28.92 C +ATOM 13696 O ILE B 341 158.043 221.066 209.414 1.00 25.47 O +ATOM 13697 CB ILE B 341 156.872 218.158 208.301 1.00 27.63 C +ATOM 13698 CG1 ILE B 341 156.355 216.810 208.819 1.00 20.27 C +ATOM 13699 CG2 ILE B 341 158.390 218.129 208.151 1.00 25.01 C +ATOM 13700 CD1 ILE B 341 156.551 215.656 207.863 1.00 26.71 C +ATOM 13701 H ILE B 341 154.575 218.850 208.766 1.00 27.62 H +ATOM 13702 HA ILE B 341 156.756 219.071 210.147 1.00 38.03 H +ATOM 13703 HB ILE B 341 156.480 218.324 207.430 1.00 33.15 H +ATOM 13704 HG12 ILE B 341 156.821 216.594 209.641 1.00 24.33 H +ATOM 13705 HG13 ILE B 341 155.404 216.889 208.994 1.00 24.33 H +ATOM 13706 HG21 ILE B 341 158.634 217.412 207.545 1.00 30.01 H +ATOM 13707 HG22 ILE B 341 158.688 218.980 207.793 1.00 30.01 H +ATOM 13708 HG23 ILE B 341 158.791 217.978 209.022 1.00 30.01 H +ATOM 13709 HD11 ILE B 341 156.198 214.848 208.268 1.00 32.05 H +ATOM 13710 HD12 ILE B 341 156.079 215.847 207.038 1.00 32.05 H +ATOM 13711 HD13 ILE B 341 157.499 215.551 207.686 1.00 32.05 H +ATOM 13712 N LYS B 342 156.443 221.258 207.843 1.00 34.52 N +ATOM 13713 CA LYS B 342 156.865 222.573 207.375 1.00 36.86 C +ATOM 13714 C LYS B 342 156.900 223.600 208.507 1.00 29.97 C +ATOM 13715 O LYS B 342 157.912 224.266 208.723 1.00 25.56 O +ATOM 13716 CB LYS B 342 155.927 223.051 206.264 1.00 33.13 C +ATOM 13717 CG LYS B 342 156.151 224.481 205.792 1.00 37.22 C +ATOM 13718 CD LYS B 342 157.454 224.623 205.038 1.00 43.81 C +ATOM 13719 CE LYS B 342 157.531 225.965 204.330 1.00 38.12 C +ATOM 13720 NZ LYS B 342 158.697 226.040 203.415 1.00 41.73 N +ATOM 13721 H LYS B 342 155.770 220.941 207.412 1.00 41.42 H +ATOM 13722 HA LYS B 342 157.759 222.505 207.004 1.00 44.23 H +ATOM 13723 HB2 LYS B 342 156.039 222.469 205.496 1.00 39.76 H +ATOM 13724 HB3 LYS B 342 155.014 222.990 206.586 1.00 39.76 H +ATOM 13725 HG2 LYS B 342 155.428 224.739 205.200 1.00 44.66 H +ATOM 13726 HG3 LYS B 342 156.181 225.070 206.562 1.00 44.66 H +ATOM 13727 HD2 LYS B 342 158.194 224.563 205.661 1.00 52.57 H +ATOM 13728 HD3 LYS B 342 157.517 223.922 204.370 1.00 52.57 H +ATOM 13729 HE2 LYS B 342 156.726 226.097 203.806 1.00 45.74 H +ATOM 13730 HE3 LYS B 342 157.620 226.670 204.991 1.00 45.74 H +ATOM 13731 HZ1 LYS B 342 158.718 226.834 203.014 1.00 50.08 H +ATOM 13732 HZ2 LYS B 342 159.451 225.926 203.873 1.00 50.08 H +ATOM 13733 HZ3 LYS B 342 158.636 225.404 202.794 1.00 50.08 H +ATOM 13734 N ILE B 343 155.784 223.725 209.216 1.00 29.18 N +ATOM 13735 CA ILE B 343 155.649 224.702 210.291 1.00 25.13 C +ATOM 13736 C ILE B 343 156.599 224.396 211.440 1.00 22.75 C +ATOM 13737 O ILE B 343 157.240 225.298 211.972 1.00 26.33 O +ATOM 13738 CB ILE B 343 154.190 224.754 210.819 1.00 30.79 C +ATOM 13739 CG1 ILE B 343 153.273 225.353 209.751 1.00 29.91 C +ATOM 13740 CG2 ILE B 343 154.092 225.578 212.109 1.00 22.66 C +ATOM 13741 CD1 ILE B 343 151.803 225.277 210.080 1.00 28.83 C +ATOM 13742 H ILE B 343 155.080 223.247 209.092 1.00 35.02 H +ATOM 13743 HA ILE B 343 155.872 225.580 209.945 1.00 30.15 H +ATOM 13744 HB ILE B 343 153.897 223.849 211.007 1.00 36.94 H +ATOM 13745 HG12 ILE B 343 153.501 226.288 209.634 1.00 35.90 H +ATOM 13746 HG13 ILE B 343 153.413 224.875 208.918 1.00 35.90 H +ATOM 13747 HG21 ILE B 343 153.169 225.587 212.408 1.00 27.19 H +ATOM 13748 HG22 ILE B 343 154.655 225.171 212.787 1.00 27.19 H +ATOM 13749 HG23 ILE B 343 154.391 226.483 211.929 1.00 27.19 H +ATOM 13750 HD11 ILE B 343 151.297 225.676 209.355 1.00 34.60 H +ATOM 13751 HD12 ILE B 343 151.552 224.347 210.187 1.00 34.60 H +ATOM 13752 HD13 ILE B 343 151.640 225.762 210.904 1.00 34.60 H +ATOM 13753 N VAL B 344 156.679 223.127 211.824 1.00 30.58 N +ATOM 13754 CA VAL B 344 157.529 222.725 212.939 1.00 27.39 C +ATOM 13755 C VAL B 344 158.990 223.084 212.669 1.00 22.81 C +ATOM 13756 O VAL B 344 159.663 223.650 213.525 1.00 19.69 O +ATOM 13757 CB VAL B 344 157.406 221.214 213.224 1.00 28.63 C +ATOM 13758 CG1 VAL B 344 158.541 220.720 214.131 1.00 23.53 C +ATOM 13759 CG2 VAL B 344 156.058 220.917 213.860 1.00 27.22 C +ATOM 13760 H VAL B 344 156.252 222.479 211.455 1.00 36.70 H +ATOM 13761 HA VAL B 344 157.248 223.202 213.735 1.00 32.87 H +ATOM 13762 HB VAL B 344 157.457 220.728 212.386 1.00 34.35 H +ATOM 13763 HG11 VAL B 344 158.429 219.770 214.287 1.00 28.23 H +ATOM 13764 HG12 VAL B 344 159.390 220.887 213.692 1.00 28.23 H +ATOM 13765 HG13 VAL B 344 158.503 221.201 214.973 1.00 28.23 H +ATOM 13766 HG21 VAL B 344 155.994 219.965 214.033 1.00 32.67 H +ATOM 13767 HG22 VAL B 344 155.986 221.410 214.692 1.00 32.67 H +ATOM 13768 HG23 VAL B 344 155.354 221.190 213.250 1.00 32.67 H +ATOM 13769 N ILE B 345 159.483 222.756 211.481 1.00 20.51 N +ATOM 13770 CA ILE B 345 160.872 223.050 211.149 1.00 29.40 C +ATOM 13771 C ILE B 345 161.114 224.558 211.045 1.00 29.27 C +ATOM 13772 O ILE B 345 162.027 225.083 211.678 1.00 35.73 O +ATOM 13773 CB ILE B 345 161.294 222.359 209.829 1.00 25.76 C +ATOM 13774 CG1 ILE B 345 161.369 220.842 210.042 1.00 27.74 C +ATOM 13775 CG2 ILE B 345 162.648 222.891 209.335 1.00 26.90 C +ATOM 13776 CD1 ILE B 345 161.707 220.043 208.798 1.00 30.54 C +ATOM 13777 H ILE B 345 159.040 222.367 210.855 1.00 24.61 H +ATOM 13778 HA ILE B 345 161.440 222.707 211.857 1.00 35.28 H +ATOM 13779 HB ILE B 345 160.623 222.544 209.154 1.00 30.91 H +ATOM 13780 HG12 ILE B 345 162.052 220.656 210.705 1.00 33.29 H +ATOM 13781 HG13 ILE B 345 160.508 220.532 210.365 1.00 33.29 H +ATOM 13782 HG21 ILE B 345 162.882 222.439 208.509 1.00 32.29 H +ATOM 13783 HG22 ILE B 345 162.574 223.846 209.181 1.00 32.29 H +ATOM 13784 HG23 ILE B 345 163.321 222.716 210.011 1.00 32.29 H +ATOM 13785 HD11 ILE B 345 161.733 219.100 209.026 1.00 36.65 H +ATOM 13786 HD12 ILE B 345 161.027 220.203 208.125 1.00 36.65 H +ATOM 13787 HD13 ILE B 345 162.574 220.327 208.467 1.00 36.65 H +ATOM 13788 N GLU B 346 160.289 225.256 210.271 1.00 28.39 N +ATOM 13789 CA GLU B 346 160.606 226.633 209.882 1.00 35.74 C +ATOM 13790 C GLU B 346 160.005 227.729 210.765 1.00 26.54 C +ATOM 13791 O GLU B 346 160.306 228.901 210.568 1.00 32.07 O +ATOM 13792 CB GLU B 346 160.180 226.861 208.435 1.00 24.21 C +ATOM 13793 CG GLU B 346 161.015 226.061 207.440 1.00 34.42 C +ATOM 13794 CD GLU B 346 160.746 226.433 205.997 1.00 36.12 C +ATOM 13795 OE1 GLU B 346 160.101 227.475 205.755 1.00 44.49 O +ATOM 13796 OE2 GLU B 346 161.182 225.678 205.103 1.00 33.09 O +ATOM 13797 H GLU B 346 159.544 224.962 209.959 1.00 34.06 H +ATOM 13798 HA GLU B 346 161.570 226.738 209.917 1.00 42.88 H +ATOM 13799 HB2 GLU B 346 159.253 226.593 208.332 1.00 29.05 H +ATOM 13800 HB3 GLU B 346 160.279 227.802 208.221 1.00 29.05 H +ATOM 13801 HG2 GLU B 346 161.955 226.222 207.619 1.00 41.31 H +ATOM 13802 HG3 GLU B 346 160.815 225.119 207.548 1.00 41.31 H +ATOM 13803 N ASP B 347 159.178 227.360 211.737 1.00 29.64 N +ATOM 13804 CA ASP B 347 158.646 228.328 212.700 1.00 31.52 C +ATOM 13805 C ASP B 347 158.924 227.899 214.133 1.00 27.70 C +ATOM 13806 O ASP B 347 159.466 228.666 214.926 1.00 33.76 O +ATOM 13807 CB ASP B 347 157.140 228.522 212.508 1.00 42.72 C +ATOM 13808 CG ASP B 347 156.806 229.282 211.241 1.00 33.16 C +ATOM 13809 OD1 ASP B 347 157.467 230.304 210.965 1.00 43.53 O +ATOM 13810 OD2 ASP B 347 155.886 228.853 210.520 1.00 42.38 O +ATOM 13811 H ASP B 347 158.906 226.554 211.864 1.00 35.57 H +ATOM 13812 HA ASP B 347 159.079 229.185 212.556 1.00 37.83 H +ATOM 13813 HB2 ASP B 347 156.713 227.653 212.457 1.00 51.27 H +ATOM 13814 HB3 ASP B 347 156.787 229.022 213.260 1.00 51.27 H +ATOM 13815 N TYR B 348 158.545 226.668 214.455 1.00 29.32 N +ATOM 13816 CA TYR B 348 158.658 226.147 215.811 1.00 28.39 C +ATOM 13817 C TYR B 348 160.115 225.914 216.222 1.00 27.93 C +ATOM 13818 O TYR B 348 160.592 226.509 217.188 1.00 25.87 O +ATOM 13819 CB TYR B 348 157.850 224.853 215.922 1.00 26.80 C +ATOM 13820 CG TYR B 348 157.890 224.173 217.265 1.00 22.57 C +ATOM 13821 CD1 TYR B 348 157.086 224.601 218.307 1.00 25.12 C +ATOM 13822 CD2 TYR B 348 158.713 223.078 217.481 1.00 28.77 C +ATOM 13823 CE1 TYR B 348 157.110 223.967 219.532 1.00 35.04 C +ATOM 13824 CE2 TYR B 348 158.745 222.439 218.702 1.00 29.95 C +ATOM 13825 CZ TYR B 348 157.942 222.888 219.724 1.00 35.64 C +ATOM 13826 OH TYR B 348 157.972 222.256 220.940 1.00 36.88 O +ATOM 13827 H TYR B 348 158.214 226.105 213.895 1.00 35.19 H +ATOM 13828 HA TYR B 348 158.275 226.791 216.427 1.00 34.07 H +ATOM 13829 HB2 TYR B 348 156.922 225.054 215.726 1.00 32.16 H +ATOM 13830 HB3 TYR B 348 158.190 224.223 215.268 1.00 32.16 H +ATOM 13831 HD1 TYR B 348 156.522 225.330 218.180 1.00 30.15 H +ATOM 13832 HD2 TYR B 348 159.256 222.773 216.792 1.00 34.53 H +ATOM 13833 HE1 TYR B 348 156.569 224.270 220.226 1.00 42.05 H +ATOM 13834 HE2 TYR B 348 159.307 221.709 218.833 1.00 35.94 H +ATOM 13835 HH TYR B 348 158.519 221.618 220.919 1.00 44.26 H +ATOM 13836 N VAL B 349 160.823 225.055 215.491 1.00 28.80 N +ATOM 13837 CA VAL B 349 162.230 224.793 215.781 1.00 30.79 C +ATOM 13838 C VAL B 349 163.062 226.043 215.528 1.00 28.88 C +ATOM 13839 O VAL B 349 164.019 226.312 216.252 1.00 22.22 O +ATOM 13840 CB VAL B 349 162.789 223.624 214.939 1.00 37.82 C +ATOM 13841 CG1 VAL B 349 164.297 223.443 215.177 1.00 27.19 C +ATOM 13842 CG2 VAL B 349 162.053 222.337 215.274 1.00 26.82 C +ATOM 13843 H VAL B 349 160.512 224.611 214.823 1.00 34.56 H +ATOM 13844 HA VAL B 349 162.320 224.557 216.718 1.00 36.95 H +ATOM 13845 HB VAL B 349 162.652 223.815 213.998 1.00 45.38 H +ATOM 13846 HG11 VAL B 349 164.615 222.704 214.636 1.00 32.63 H +ATOM 13847 HG12 VAL B 349 164.756 224.260 214.925 1.00 32.63 H +ATOM 13848 HG13 VAL B 349 164.448 223.255 216.117 1.00 32.63 H +ATOM 13849 HG21 VAL B 349 162.417 221.616 214.737 1.00 32.19 H +ATOM 13850 HG22 VAL B 349 162.173 222.141 216.216 1.00 32.19 H +ATOM 13851 HG23 VAL B 349 161.110 222.453 215.077 1.00 32.19 H +ATOM 13852 N GLN B 350 162.697 226.799 214.497 1.00 36.36 N +ATOM 13853 CA GLN B 350 163.385 228.047 214.183 1.00 26.93 C +ATOM 13854 C GLN B 350 163.389 228.968 215.391 1.00 31.56 C +ATOM 13855 O GLN B 350 164.437 229.460 215.804 1.00 35.53 O +ATOM 13856 CB GLN B 350 162.727 228.751 212.999 1.00 29.35 C +ATOM 13857 CG GLN B 350 163.413 230.048 212.589 1.00 24.56 C +ATOM 13858 CD GLN B 350 164.807 229.819 212.046 1.00 21.35 C +ATOM 13859 OE1 GLN B 350 165.002 229.033 211.121 1.00 26.66 O +ATOM 13860 NE2 GLN B 350 165.785 230.497 212.625 1.00 22.21 N +ATOM 13861 H GLN B 350 162.051 226.611 213.962 1.00 43.64 H +ATOM 13862 HA GLN B 350 164.305 227.852 213.947 1.00 32.31 H +ATOM 13863 HB2 GLN B 350 162.741 228.155 212.234 1.00 35.22 H +ATOM 13864 HB3 GLN B 350 161.809 228.963 213.232 1.00 35.22 H +ATOM 13865 HG2 GLN B 350 162.888 230.479 211.897 1.00 29.47 H +ATOM 13866 HG3 GLN B 350 163.483 230.627 213.363 1.00 29.47 H +ATOM 13867 HE21 GLN B 350 165.611 231.033 213.275 1.00 26.65 H +ATOM 13868 HE22 GLN B 350 166.595 230.401 212.352 1.00 26.65 H +ATOM 13869 N HIS B 351 162.208 229.210 215.949 1.00 28.52 N +ATOM 13870 CA HIS B 351 162.099 230.021 217.152 1.00 32.96 C +ATOM 13871 C HIS B 351 162.843 229.361 218.295 1.00 24.25 C +ATOM 13872 O HIS B 351 163.563 230.007 219.052 1.00 32.28 O +ATOM 13873 CB HIS B 351 160.641 230.224 217.557 1.00 24.71 C +ATOM 13874 CG HIS B 351 160.481 230.661 218.977 1.00 25.82 C +ATOM 13875 ND1 HIS B 351 160.672 231.965 219.379 1.00 26.04 N +ATOM 13876 CD2 HIS B 351 160.186 229.961 220.097 1.00 28.37 C +ATOM 13877 CE1 HIS B 351 160.483 232.053 220.683 1.00 28.24 C +ATOM 13878 NE2 HIS B 351 160.187 230.851 221.142 1.00 33.49 N +ATOM 13879 H HIS B 351 161.457 228.916 215.650 1.00 34.23 H +ATOM 13880 HA HIS B 351 162.496 230.892 216.990 1.00 39.56 H +ATOM 13881 HB2 HIS B 351 160.249 230.904 216.988 1.00 29.65 H +ATOM 13882 HB3 HIS B 351 160.165 229.386 217.447 1.00 29.65 H +ATOM 13883 HD2 HIS B 351 160.007 229.050 220.147 1.00 34.05 H +ATOM 13884 HE1 HIS B 351 160.547 232.829 221.191 1.00 33.88 H +ATOM 13885 HE2 HIS B 351 160.021 230.657 221.963 1.00 40.18 H +ATOM 13886 N LEU B 352 162.645 228.058 218.410 1.00 31.52 N +ATOM 13887 CA LEU B 352 163.194 227.284 219.507 1.00 32.67 C +ATOM 13888 C LEU B 352 164.721 227.331 219.558 1.00 34.13 C +ATOM 13889 O LEU B 352 165.312 227.441 220.630 1.00 33.67 O +ATOM 13890 CB LEU B 352 162.721 225.838 219.383 1.00 32.18 C +ATOM 13891 CG LEU B 352 163.063 224.903 220.531 1.00 31.40 C +ATOM 13892 CD1 LEU B 352 162.584 225.505 221.830 1.00 48.97 C +ATOM 13893 CD2 LEU B 352 162.415 223.555 220.281 1.00 39.37 C +ATOM 13894 H LEU B 352 162.186 227.591 217.854 1.00 37.83 H +ATOM 13895 HA LEU B 352 162.856 227.640 220.344 1.00 39.21 H +ATOM 13896 HB2 LEU B 352 161.755 225.843 219.296 1.00 38.62 H +ATOM 13897 HB3 LEU B 352 163.113 225.460 218.580 1.00 38.62 H +ATOM 13898 HG LEU B 352 164.024 224.782 220.579 1.00 37.67 H +ATOM 13899 HD11 LEU B 352 162.806 224.902 222.557 1.00 58.77 H +ATOM 13900 HD12 LEU B 352 163.024 226.359 221.963 1.00 58.77 H +ATOM 13901 HD13 LEU B 352 161.623 225.629 221.785 1.00 58.77 H +ATOM 13902 HD21 LEU B 352 162.633 222.959 221.015 1.00 47.25 H +ATOM 13903 HD22 LEU B 352 161.453 223.672 220.226 1.00 47.25 H +ATOM 13904 HD23 LEU B 352 162.753 223.192 219.448 1.00 47.25 H +ATOM 13905 N SER B 353 165.350 227.241 218.391 1.00 33.60 N +ATOM 13906 CA SER B 353 166.802 227.171 218.295 1.00 31.27 C +ATOM 13907 C SER B 353 167.473 228.489 218.659 1.00 39.43 C +ATOM 13908 O SER B 353 168.561 228.503 219.234 1.00 31.52 O +ATOM 13909 CB SER B 353 167.211 226.772 216.878 1.00 33.96 C +ATOM 13910 OG SER B 353 167.014 227.852 215.976 1.00 27.16 O +ATOM 13911 H SER B 353 164.951 227.219 217.629 1.00 40.32 H +ATOM 13912 HA SER B 353 167.127 226.490 218.905 1.00 37.52 H +ATOM 13913 HB2 SER B 353 168.150 226.527 216.878 1.00 40.75 H +ATOM 13914 HB3 SER B 353 166.671 226.019 216.593 1.00 40.75 H +ATOM 13915 HG SER B 353 166.204 228.075 215.968 1.00 32.59 H +ATOM 13916 N GLY B 354 166.821 229.594 218.312 1.00 34.24 N +ATOM 13917 CA GLY B 354 167.397 230.912 218.504 1.00 34.63 C +ATOM 13918 C GLY B 354 168.347 231.280 217.379 1.00 26.91 C +ATOM 13919 O GLY B 354 168.976 232.334 217.406 1.00 30.24 O +ATOM 13920 H GLY B 354 166.036 229.603 217.961 1.00 41.09 H +ATOM 13921 HA2 GLY B 354 166.689 231.574 218.540 1.00 41.55 H +ATOM 13922 HA3 GLY B 354 167.885 230.935 219.341 1.00 41.55 H +ATOM 13923 N TYR B 355 168.445 230.407 216.383 1.00 33.50 N +ATOM 13924 CA TYR B 355 169.397 230.582 215.291 1.00 37.74 C +ATOM 13925 C TYR B 355 169.032 231.746 214.374 1.00 36.82 C +ATOM 13926 O TYR B 355 167.853 232.025 214.152 1.00 34.22 O +ATOM 13927 CB TYR B 355 169.487 229.302 214.454 1.00 37.64 C +ATOM 13928 CG TYR B 355 169.993 228.078 215.188 1.00 40.35 C +ATOM 13929 CD1 TYR B 355 170.617 228.180 216.424 1.00 37.31 C +ATOM 13930 CD2 TYR B 355 169.853 226.815 214.631 1.00 35.44 C +ATOM 13931 CE1 TYR B 355 171.082 227.056 217.084 1.00 40.55 C +ATOM 13932 CE2 TYR B 355 170.314 225.691 215.282 1.00 38.83 C +ATOM 13933 CZ TYR B 355 170.927 225.815 216.507 1.00 41.43 C +ATOM 13934 OH TYR B 355 171.385 224.688 217.152 1.00 47.93 O +ATOM 13935 H TYR B 355 167.966 229.696 216.316 1.00 40.20 H +ATOM 13936 HA TYR B 355 170.275 230.759 215.664 1.00 45.28 H +ATOM 13937 HB2 TYR B 355 168.602 229.093 214.116 1.00 45.17 H +ATOM 13938 HB3 TYR B 355 170.088 229.464 213.710 1.00 45.17 H +ATOM 13939 HD1 TYR B 355 170.723 229.017 216.815 1.00 44.77 H +ATOM 13940 HD2 TYR B 355 169.440 226.726 213.803 1.00 42.52 H +ATOM 13941 HE1 TYR B 355 171.497 227.138 217.913 1.00 48.66 H +ATOM 13942 HE2 TYR B 355 170.210 224.852 214.895 1.00 46.59 H +ATOM 13943 HH TYR B 355 171.737 224.900 217.885 1.00 57.51 H +ATOM 13944 N HIS B 356 170.053 232.414 213.842 1.00 37.03 N +ATOM 13945 CA HIS B 356 169.866 233.413 212.792 1.00 28.10 C +ATOM 13946 C HIS B 356 169.871 232.737 211.427 1.00 27.75 C +ATOM 13947 O HIS B 356 169.323 233.265 210.461 1.00 30.88 O +ATOM 13948 CB HIS B 356 170.956 234.483 212.841 1.00 33.83 C +ATOM 13949 CG HIS B 356 170.939 235.308 214.087 1.00 30.68 C +ATOM 13950 ND1 HIS B 356 169.813 235.969 214.528 1.00 31.21 N +ATOM 13951 CD2 HIS B 356 171.914 235.585 214.984 1.00 40.45 C +ATOM 13952 CE1 HIS B 356 170.094 236.613 215.646 1.00 33.42 C +ATOM 13953 NE2 HIS B 356 171.363 236.398 215.944 1.00 37.67 N +ATOM 13954 H HIS B 356 170.874 232.305 214.074 1.00 44.43 H +ATOM 13955 HA HIS B 356 169.008 233.848 212.913 1.00 33.72 H +ATOM 13956 HB2 HIS B 356 171.822 234.049 212.785 1.00 40.59 H +ATOM 13957 HB3 HIS B 356 170.840 235.082 212.087 1.00 40.59 H +ATOM 13958 HD2 HIS B 356 172.793 235.281 214.957 1.00 48.54 H +ATOM 13959 HE1 HIS B 356 169.500 237.132 216.138 1.00 40.10 H +ATOM 13960 HE2 HIS B 356 171.776 236.715 216.628 1.00 45.20 H +ATOM 13961 N PHE B 357 170.513 231.575 211.346 1.00 33.61 N +ATOM 13962 CA PHE B 357 170.430 230.751 210.149 1.00 28.34 C +ATOM 13963 C PHE B 357 168.991 230.295 209.969 1.00 30.48 C +ATOM 13964 O PHE B 357 168.351 229.853 210.920 1.00 31.47 O +ATOM 13965 CB PHE B 357 171.364 229.544 210.235 1.00 27.02 C +ATOM 13966 CG PHE B 357 171.123 228.521 209.162 1.00 29.44 C +ATOM 13967 CD1 PHE B 357 171.586 228.726 207.874 1.00 34.56 C +ATOM 13968 CD2 PHE B 357 170.425 227.359 209.441 1.00 34.08 C +ATOM 13969 CE1 PHE B 357 171.361 227.789 206.886 1.00 35.25 C +ATOM 13970 CE2 PHE B 357 170.197 226.418 208.454 1.00 29.32 C +ATOM 13971 CZ PHE B 357 170.666 226.634 207.176 1.00 35.09 C +ATOM 13972 H PHE B 357 171.003 231.244 211.970 1.00 40.34 H +ATOM 13973 HA PHE B 357 170.683 231.280 209.376 1.00 34.00 H +ATOM 13974 HB2 PHE B 357 172.281 229.850 210.153 1.00 32.42 H +ATOM 13975 HB3 PHE B 357 171.237 229.110 211.093 1.00 32.42 H +ATOM 13976 HD1 PHE B 357 172.055 229.503 207.673 1.00 41.47 H +ATOM 13977 HD2 PHE B 357 170.107 227.210 210.301 1.00 40.90 H +ATOM 13978 HE1 PHE B 357 171.678 227.936 206.024 1.00 42.30 H +ATOM 13979 HE2 PHE B 357 169.728 225.640 208.653 1.00 35.18 H +ATOM 13980 HZ PHE B 357 170.514 226.002 206.511 1.00 42.10 H +ATOM 13981 N LYS B 358 168.486 230.408 208.747 1.00 35.18 N +ATOM 13982 CA LYS B 358 167.089 230.108 208.468 1.00 41.53 C +ATOM 13983 C LYS B 358 166.901 228.636 208.117 1.00 38.02 C +ATOM 13984 O LYS B 358 167.311 228.184 207.048 1.00 32.48 O +ATOM 13985 CB LYS B 358 166.582 230.995 207.333 1.00 46.50 C +ATOM 13986 CG LYS B 358 165.082 230.965 207.134 1.00 55.66 C +ATOM 13987 CD LYS B 358 164.666 231.972 206.077 1.00 65.00 C +ATOM 13988 CE LYS B 358 163.173 231.936 205.809 1.00 70.12 C +ATOM 13989 NZ LYS B 358 162.793 232.914 204.753 1.00 91.20 N +ATOM 13990 H LYS B 358 168.936 230.657 208.058 1.00 42.21 H +ATOM 13991 HA LYS B 358 166.560 230.299 209.258 1.00 49.84 H +ATOM 13992 HB2 LYS B 358 166.835 231.913 207.519 1.00 55.80 H +ATOM 13993 HB3 LYS B 358 166.994 230.705 206.504 1.00 55.80 H +ATOM 13994 HG2 LYS B 358 164.812 230.081 206.839 1.00 66.80 H +ATOM 13995 HG3 LYS B 358 164.640 231.194 207.967 1.00 66.80 H +ATOM 13996 HD2 LYS B 358 164.897 232.865 206.379 1.00 78.01 H +ATOM 13997 HD3 LYS B 358 165.127 231.771 205.247 1.00 78.01 H +ATOM 13998 HE2 LYS B 358 162.923 231.048 205.507 1.00 84.14 H +ATOM 13999 HE3 LYS B 358 162.695 232.163 206.622 1.00 84.14 H +ATOM 14000 HZ1 LYS B 358 161.916 232.879 204.609 1.00109.43 H +ATOM 14001 HZ2 LYS B 358 163.012 233.737 205.009 1.00109.43 H +ATOM 14002 HZ3 LYS B 358 163.219 232.723 203.995 1.00109.43 H +ATOM 14003 N LEU B 359 166.282 227.894 209.028 1.00 28.34 N +ATOM 14004 CA LEU B 359 166.029 226.477 208.811 1.00 34.24 C +ATOM 14005 C LEU B 359 165.094 226.281 207.622 1.00 29.50 C +ATOM 14006 O LEU B 359 164.290 227.154 207.302 1.00 35.03 O +ATOM 14007 CB LEU B 359 165.439 225.840 210.071 1.00 29.39 C +ATOM 14008 CG LEU B 359 166.323 225.933 211.319 1.00 32.65 C +ATOM 14009 CD1 LEU B 359 165.585 225.416 212.549 1.00 27.77 C +ATOM 14010 CD2 LEU B 359 167.624 225.175 211.123 1.00 25.95 C +ATOM 14011 H LEU B 359 165.998 228.190 209.784 1.00 34.01 H +ATOM 14012 HA LEU B 359 166.867 226.032 208.612 1.00 41.09 H +ATOM 14013 HB2 LEU B 359 164.599 226.279 210.274 1.00 35.27 H +ATOM 14014 HB3 LEU B 359 165.280 224.899 209.895 1.00 35.27 H +ATOM 14015 HG LEU B 359 166.544 226.864 211.477 1.00 39.17 H +ATOM 14016 HD11 LEU B 359 166.169 225.488 213.320 1.00 33.32 H +ATOM 14017 HD12 LEU B 359 164.787 225.950 212.686 1.00 33.32 H +ATOM 14018 HD13 LEU B 359 165.341 224.488 212.404 1.00 33.32 H +ATOM 14019 HD21 LEU B 359 168.159 225.253 211.928 1.00 31.15 H +ATOM 14020 HD22 LEU B 359 167.422 224.242 210.948 1.00 31.15 H +ATOM 14021 HD23 LEU B 359 168.101 225.557 210.370 1.00 31.15 H +ATOM 14022 N LYS B 360 165.214 225.130 206.973 1.00 31.49 N +ATOM 14023 CA LYS B 360 164.463 224.849 205.758 1.00 37.03 C +ATOM 14024 C LYS B 360 163.902 223.433 205.766 1.00 40.30 C +ATOM 14025 O LYS B 360 164.632 222.471 206.007 1.00 36.01 O +ATOM 14026 CB LYS B 360 165.358 225.045 204.532 1.00 32.87 C +ATOM 14027 CG LYS B 360 164.646 224.877 203.202 1.00 34.45 C +ATOM 14028 CD LYS B 360 165.577 225.188 202.037 1.00 43.20 C +ATOM 14029 CE LYS B 360 164.834 225.199 200.712 1.00 47.40 C +ATOM 14030 NZ LYS B 360 165.681 224.707 199.593 1.00 45.32 N +ATOM 14031 H LYS B 360 165.730 224.488 207.220 1.00 37.79 H +ATOM 14032 HA LYS B 360 163.720 225.468 205.693 1.00 44.44 H +ATOM 14033 HB2 LYS B 360 165.727 225.942 204.557 1.00 39.44 H +ATOM 14034 HB3 LYS B 360 166.077 224.395 204.565 1.00 39.44 H +ATOM 14035 HG2 LYS B 360 164.342 223.960 203.114 1.00 41.34 H +ATOM 14036 HG3 LYS B 360 163.892 225.486 203.162 1.00 41.34 H +ATOM 14037 HD2 LYS B 360 165.973 226.064 202.170 1.00 51.84 H +ATOM 14038 HD3 LYS B 360 166.269 224.510 201.991 1.00 51.84 H +ATOM 14039 HE2 LYS B 360 164.056 224.624 200.778 1.00 56.88 H +ATOM 14040 HE3 LYS B 360 164.561 226.107 200.507 1.00 56.88 H +ATOM 14041 HZ1 LYS B 360 165.219 224.725 198.832 1.00 54.38 H +ATOM 14042 HZ2 LYS B 360 166.401 225.223 199.507 1.00 54.38 H +ATOM 14043 HZ3 LYS B 360 165.941 223.871 199.753 1.00 54.38 H +ATOM 14044 N PHE B 361 162.602 223.317 205.513 1.00 32.53 N +ATOM 14045 CA PHE B 361 161.997 222.022 205.250 1.00 27.93 C +ATOM 14046 C PHE B 361 162.072 221.733 203.759 1.00 29.88 C +ATOM 14047 O PHE B 361 161.330 222.313 202.965 1.00 29.10 O +ATOM 14048 CB PHE B 361 160.543 221.970 205.722 1.00 30.27 C +ATOM 14049 CG PHE B 361 159.822 220.723 205.290 1.00 29.31 C +ATOM 14050 CD1 PHE B 361 160.364 219.475 205.549 1.00 24.19 C +ATOM 14051 CD2 PHE B 361 158.615 220.797 204.621 1.00 25.72 C +ATOM 14052 CE1 PHE B 361 159.716 218.328 205.152 1.00 22.74 C +ATOM 14053 CE2 PHE B 361 157.961 219.650 204.223 1.00 28.93 C +ATOM 14054 CZ PHE B 361 158.514 218.412 204.491 1.00 28.63 C +ATOM 14055 H PHE B 361 162.050 223.976 205.489 1.00 39.04 H +ATOM 14056 HA PHE B 361 162.495 221.334 205.719 1.00 33.51 H +ATOM 14057 HB2 PHE B 361 160.526 222.004 206.691 1.00 36.33 H +ATOM 14058 HB3 PHE B 361 160.067 222.731 205.356 1.00 36.33 H +ATOM 14059 HD1 PHE B 361 161.177 219.411 205.996 1.00 29.03 H +ATOM 14060 HD2 PHE B 361 158.239 221.628 204.439 1.00 30.86 H +ATOM 14061 HE1 PHE B 361 160.089 217.496 205.334 1.00 27.29 H +ATOM 14062 HE2 PHE B 361 157.148 219.709 203.775 1.00 34.72 H +ATOM 14063 HZ PHE B 361 158.074 217.638 204.223 1.00 34.36 H +ATOM 14064 N ASP B 362 162.979 220.837 203.387 1.00 34.75 N +ATOM 14065 CA ASP B 362 163.171 220.469 201.994 1.00 36.57 C +ATOM 14066 C ASP B 362 163.691 219.035 201.904 1.00 30.66 C +ATOM 14067 O ASP B 362 164.889 218.795 202.046 1.00 25.53 O +ATOM 14068 CB ASP B 362 164.134 221.439 201.311 1.00 33.13 C +ATOM 14069 CG ASP B 362 164.322 221.134 199.838 1.00 41.32 C +ATOM 14070 OD1 ASP B 362 163.481 220.407 199.267 1.00 43.87 O +ATOM 14071 OD2 ASP B 362 165.307 221.625 199.248 1.00 39.68 O +ATOM 14072 H ASP B 362 163.501 220.424 203.931 1.00 41.70 H +ATOM 14073 HA ASP B 362 162.319 220.512 201.532 1.00 43.88 H +ATOM 14074 HB2 ASP B 362 163.784 222.341 201.388 1.00 39.75 H +ATOM 14075 HB3 ASP B 362 165.001 221.381 201.743 1.00 39.75 H +ATOM 14076 N PRO B 363 162.783 218.071 201.693 1.00 31.42 N +ATOM 14077 CA PRO B 363 163.159 216.657 201.568 1.00 32.33 C +ATOM 14078 C PRO B 363 164.224 216.383 200.508 1.00 30.18 C +ATOM 14079 O PRO B 363 164.932 215.383 200.606 1.00 31.66 O +ATOM 14080 CB PRO B 363 161.835 215.990 201.193 1.00 29.15 C +ATOM 14081 CG PRO B 363 160.812 216.830 201.867 1.00 29.25 C +ATOM 14082 CD PRO B 363 161.318 218.238 201.749 1.00 29.23 C +ATOM 14083 HA PRO B 363 163.461 216.312 202.423 1.00 38.79 H +ATOM 14084 HB2 PRO B 363 161.717 216.006 200.231 1.00 34.98 H +ATOM 14085 HB3 PRO B 363 161.815 215.081 201.532 1.00 34.98 H +ATOM 14086 HG2 PRO B 363 159.960 216.733 201.413 1.00 35.10 H +ATOM 14087 HG3 PRO B 363 160.737 216.569 202.798 1.00 35.10 H +ATOM 14088 HD2 PRO B 363 160.993 218.647 200.932 1.00 35.08 H +ATOM 14089 HD3 PRO B 363 161.067 218.754 202.530 1.00 35.08 H +ATOM 14090 N GLU B 364 164.342 217.257 199.513 1.00 42.14 N +ATOM 14091 CA GLU B 364 165.316 217.058 198.443 1.00 43.73 C +ATOM 14092 C GLU B 364 166.755 217.175 198.941 1.00 32.85 C +ATOM 14093 O GLU B 364 167.674 216.651 198.316 1.00 30.62 O +ATOM 14094 CB GLU B 364 165.073 218.054 197.310 1.00 64.15 C +ATOM 14095 CG GLU B 364 163.912 217.677 196.406 1.00 72.64 C +ATOM 14096 CD GLU B 364 163.589 218.749 195.385 1.00 72.42 C +ATOM 14097 OE1 GLU B 364 164.533 219.368 194.854 1.00 75.40 O +ATOM 14098 OE2 GLU B 364 162.389 218.975 195.117 1.00 68.63 O +ATOM 14099 H GLU B 364 163.871 217.972 199.434 1.00 50.56 H +ATOM 14100 HA GLU B 364 165.201 216.165 198.081 1.00 52.48 H +ATOM 14101 HB2 GLU B 364 164.880 218.924 197.694 1.00 76.98 H +ATOM 14102 HB3 GLU B 364 165.871 218.106 196.762 1.00 76.98 H +ATOM 14103 HG2 GLU B 364 164.136 216.864 195.926 1.00 87.17 H +ATOM 14104 HG3 GLU B 364 163.122 217.534 196.950 1.00 87.17 H +ATOM 14105 N LEU B 365 166.948 217.856 200.066 1.00 22.68 N +ATOM 14106 CA LEU B 365 168.273 217.976 200.669 1.00 31.31 C +ATOM 14107 C LEU B 365 168.887 216.608 200.976 1.00 36.71 C +ATOM 14108 O LEU B 365 170.107 216.469 201.014 1.00 37.83 O +ATOM 14109 CB LEU B 365 168.209 218.801 201.957 1.00 32.46 C +ATOM 14110 CG LEU B 365 167.687 220.238 201.860 1.00 37.14 C +ATOM 14111 CD1 LEU B 365 167.633 220.868 203.246 1.00 34.17 C +ATOM 14112 CD2 LEU B 365 168.536 221.079 200.925 1.00 36.26 C +ATOM 14113 H LEU B 365 166.327 218.260 200.502 1.00 27.22 H +ATOM 14114 HA LEU B 365 168.861 218.434 200.048 1.00 37.57 H +ATOM 14115 HB2 LEU B 365 167.633 218.334 202.583 1.00 38.95 H +ATOM 14116 HB3 LEU B 365 169.104 218.850 202.326 1.00 38.95 H +ATOM 14117 HG LEU B 365 166.784 220.220 201.506 1.00 44.57 H +ATOM 14118 HD11 LEU B 365 167.301 221.776 203.167 1.00 41.00 H +ATOM 14119 HD12 LEU B 365 167.037 220.346 203.806 1.00 41.00 H +ATOM 14120 HD13 LEU B 365 168.525 220.873 203.625 1.00 41.00 H +ATOM 14121 HD21 LEU B 365 168.173 221.978 200.892 1.00 43.51 H +ATOM 14122 HD22 LEU B 365 169.446 221.101 201.259 1.00 43.51 H +ATOM 14123 HD23 LEU B 365 168.518 220.682 200.040 1.00 43.51 H +ATOM 14124 N LEU B 366 168.039 215.604 201.191 1.00 38.49 N +ATOM 14125 CA LEU B 366 168.487 214.291 201.654 1.00 30.43 C +ATOM 14126 C LEU B 366 168.490 213.210 200.573 1.00 29.44 C +ATOM 14127 O LEU B 366 168.900 212.082 200.829 1.00 34.67 O +ATOM 14128 CB LEU B 366 167.605 213.819 202.815 1.00 29.08 C +ATOM 14129 CG LEU B 366 167.662 214.613 204.120 1.00 34.44 C +ATOM 14130 CD1 LEU B 366 166.674 214.033 205.123 1.00 29.59 C +ATOM 14131 CD2 LEU B 366 169.070 214.617 204.696 1.00 28.03 C +ATOM 14132 H LEU B 366 167.188 215.659 201.073 1.00 46.18 H +ATOM 14133 HA LEU B 366 169.394 214.374 201.988 1.00 36.52 H +ATOM 14134 HB2 LEU B 366 166.683 213.834 202.514 1.00 34.90 H +ATOM 14135 HB3 LEU B 366 167.855 212.906 203.027 1.00 34.90 H +ATOM 14136 HG LEU B 366 167.407 215.532 203.944 1.00 41.32 H +ATOM 14137 HD11 LEU B 366 166.721 214.546 205.945 1.00 35.51 H +ATOM 14138 HD12 LEU B 366 165.780 214.086 204.750 1.00 35.51 H +ATOM 14139 HD13 LEU B 366 166.907 213.108 205.296 1.00 35.51 H +ATOM 14140 HD21 LEU B 366 169.071 215.127 205.521 1.00 33.64 H +ATOM 14141 HD22 LEU B 366 169.341 213.702 204.872 1.00 33.64 H +ATOM 14142 HD23 LEU B 366 169.672 215.024 204.054 1.00 33.64 H +ATOM 14143 N PHE B 367 168.036 213.545 199.372 1.00 32.87 N +ATOM 14144 CA PHE B 367 167.867 212.540 198.323 1.00 36.44 C +ATOM 14145 C PHE B 367 169.186 211.919 197.844 1.00 38.37 C +ATOM 14146 O PHE B 367 169.190 210.797 197.341 1.00 39.75 O +ATOM 14147 CB PHE B 367 167.121 213.142 197.129 1.00 31.16 C +ATOM 14148 CG PHE B 367 165.636 213.327 197.353 1.00 38.86 C +ATOM 14149 CD1 PHE B 367 165.002 212.797 198.466 1.00 31.81 C +ATOM 14150 CD2 PHE B 367 164.871 214.025 196.433 1.00 38.50 C +ATOM 14151 CE1 PHE B 367 163.648 212.967 198.658 1.00 32.31 C +ATOM 14152 CE2 PHE B 367 163.515 214.196 196.625 1.00 33.06 C +ATOM 14153 CZ PHE B 367 162.905 213.666 197.738 1.00 33.95 C +ATOM 14154 H PHE B 367 167.819 214.343 199.136 1.00 39.45 H +ATOM 14155 HA PHE B 367 167.320 211.820 198.675 1.00 43.72 H +ATOM 14156 HB2 PHE B 367 167.500 214.013 196.933 1.00 37.40 H +ATOM 14157 HB3 PHE B 367 167.233 212.557 196.364 1.00 37.40 H +ATOM 14158 HD1 PHE B 367 165.498 212.323 199.094 1.00 38.17 H +ATOM 14159 HD2 PHE B 367 165.277 214.387 195.679 1.00 46.20 H +ATOM 14160 HE1 PHE B 367 163.237 212.609 199.411 1.00 38.78 H +ATOM 14161 HE2 PHE B 367 163.013 214.669 196.001 1.00 39.68 H +ATOM 14162 HZ PHE B 367 161.991 213.781 197.867 1.00 40.75 H +ATOM 14163 N ASN B 368 170.296 212.638 197.997 1.00 37.53 N +ATOM 14164 CA ASN B 368 171.611 212.093 197.656 1.00 52.74 C +ATOM 14165 C ASN B 368 172.389 211.636 198.892 1.00 52.76 C +ATOM 14166 O ASN B 368 173.579 211.334 198.808 1.00 53.07 O +ATOM 14167 CB ASN B 368 172.439 213.122 196.881 1.00 54.51 C +ATOM 14168 CG ASN B 368 171.930 213.344 195.470 1.00 94.80 C +ATOM 14169 OD1 ASN B 368 171.122 212.567 194.958 1.00 78.09 O +ATOM 14170 ND2 ASN B 368 172.414 214.400 194.829 1.00115.57 N +ATOM 14171 H ASN B 368 170.316 213.444 198.296 1.00 45.03 H +ATOM 14172 HA ASN B 368 171.488 211.320 197.083 1.00 63.29 H +ATOM 14173 HB2 ASN B 368 172.406 213.971 197.349 1.00 65.41 H +ATOM 14174 HB3 ASN B 368 173.356 212.810 196.823 1.00 65.41 H +ATOM 14175 HD21 ASN B 368 172.157 214.570 194.026 1.00138.69 H +ATOM 14176 HD22 ASN B 368 172.984 214.914 195.216 1.00138.69 H +ATOM 14177 N LYS B 369 171.712 211.576 200.033 1.00 46.24 N +ATOM 14178 CA LYS B 369 172.343 211.174 201.284 1.00 37.58 C +ATOM 14179 C LYS B 369 171.841 209.808 201.730 1.00 31.65 C +ATOM 14180 O LYS B 369 170.785 209.355 201.298 1.00 37.86 O +ATOM 14181 CB LYS B 369 172.063 212.199 202.383 1.00 37.48 C +ATOM 14182 CG LYS B 369 172.313 213.638 201.982 1.00 48.93 C +ATOM 14183 CD LYS B 369 173.783 213.907 201.723 1.00 60.46 C +ATOM 14184 CE LYS B 369 174.005 215.359 201.343 1.00 69.49 C +ATOM 14185 NZ LYS B 369 175.431 215.667 201.063 1.00 78.35 N +ATOM 14186 H LYS B 369 170.877 211.766 200.109 1.00 55.49 H +ATOM 14187 HA LYS B 369 173.303 211.119 201.156 1.00 45.10 H +ATOM 14188 HB2 LYS B 369 171.133 212.124 202.647 1.00 44.97 H +ATOM 14189 HB3 LYS B 369 172.634 212.002 203.143 1.00 44.97 H +ATOM 14190 HG2 LYS B 369 171.822 213.832 201.169 1.00 58.71 H +ATOM 14191 HG3 LYS B 369 172.020 214.223 202.698 1.00 58.71 H +ATOM 14192 HD2 LYS B 369 174.292 213.719 202.527 1.00 72.55 H +ATOM 14193 HD3 LYS B 369 174.088 213.349 200.991 1.00 72.55 H +ATOM 14194 HE2 LYS B 369 173.493 215.559 200.544 1.00 83.38 H +ATOM 14195 HE3 LYS B 369 173.714 215.925 202.075 1.00 83.38 H +ATOM 14196 HZ1 LYS B 369 175.519 216.526 200.845 1.00 94.02 H +ATOM 14197 HZ2 LYS B 369 175.925 215.500 201.784 1.00 94.02 H +ATOM 14198 HZ3 LYS B 369 175.724 215.166 200.389 1.00 94.02 H +ATOM 14199 N GLN B 370 172.611 209.152 202.590 1.00 37.14 N +ATOM 14200 CA GLN B 370 172.123 207.976 203.298 1.00 39.82 C +ATOM 14201 C GLN B 370 171.151 208.436 204.369 1.00 34.58 C +ATOM 14202 O GLN B 370 171.490 209.288 205.188 1.00 33.79 O +ATOM 14203 CB GLN B 370 173.267 207.189 203.934 1.00 39.03 C +ATOM 14204 CG GLN B 370 174.217 206.527 202.956 1.00 38.96 C +ATOM 14205 CD GLN B 370 175.315 205.760 203.668 1.00 40.03 C +ATOM 14206 OE1 GLN B 370 176.308 206.340 204.103 1.00 42.23 O +ATOM 14207 NE2 GLN B 370 175.132 204.451 203.807 1.00 43.51 N +ATOM 14208 H GLN B 370 173.422 209.367 202.781 1.00 44.57 H +ATOM 14209 HA GLN B 370 171.652 207.395 202.680 1.00 47.78 H +ATOM 14210 HB2 GLN B 370 173.789 207.795 204.483 1.00 46.84 H +ATOM 14211 HB3 GLN B 370 172.888 206.491 204.491 1.00 46.84 H +ATOM 14212 HG2 GLN B 370 173.721 205.904 202.402 1.00 46.75 H +ATOM 14213 HG3 GLN B 370 174.632 207.208 202.404 1.00 46.75 H +ATOM 14214 HE21 GLN B 370 174.418 204.082 203.500 1.00 52.22 H +ATOM 14215 HE22 GLN B 370 175.727 203.974 204.204 1.00 52.22 H +ATOM 14216 N PHE B 371 169.945 207.882 204.366 1.00 32.88 N +ATOM 14217 CA PHE B 371 168.932 208.285 205.332 1.00 31.12 C +ATOM 14218 C PHE B 371 167.799 207.267 205.395 1.00 24.75 C +ATOM 14219 O PHE B 371 167.302 206.821 204.365 1.00 32.90 O +ATOM 14220 CB PHE B 371 168.383 209.669 204.976 1.00 32.52 C +ATOM 14221 CG PHE B 371 167.542 210.281 206.054 1.00 32.54 C +ATOM 14222 CD1 PHE B 371 168.128 211.000 207.079 1.00 28.39 C +ATOM 14223 CD2 PHE B 371 166.166 210.136 206.046 1.00 33.53 C +ATOM 14224 CE1 PHE B 371 167.359 211.558 208.075 1.00 30.11 C +ATOM 14225 CE2 PHE B 371 165.393 210.695 207.042 1.00 26.42 C +ATOM 14226 CZ PHE B 371 165.991 211.406 208.057 1.00 30.38 C +ATOM 14227 H PHE B 371 169.689 207.271 203.817 1.00 39.46 H +ATOM 14228 HA PHE B 371 169.336 208.340 206.212 1.00 37.34 H +ATOM 14229 HB2 PHE B 371 169.128 210.267 204.806 1.00 39.02 H +ATOM 14230 HB3 PHE B 371 167.834 209.593 204.180 1.00 39.02 H +ATOM 14231 HD1 PHE B 371 169.052 211.104 207.098 1.00 34.06 H +ATOM 14232 HD2 PHE B 371 165.758 209.654 205.363 1.00 40.24 H +ATOM 14233 HE1 PHE B 371 167.764 212.040 208.760 1.00 36.13 H +ATOM 14234 HE2 PHE B 371 164.469 210.592 207.028 1.00 31.71 H +ATOM 14235 HZ PHE B 371 165.471 211.785 208.728 1.00 36.46 H +ATOM 14236 N GLN B 372 167.400 206.901 206.610 1.00 24.05 N +ATOM 14237 CA GLN B 372 166.326 205.929 206.809 1.00 27.26 C +ATOM 14238 C GLN B 372 164.980 206.621 207.007 1.00 19.95 C +ATOM 14239 O GLN B 372 164.784 207.354 207.973 1.00 22.28 O +ATOM 14240 CB GLN B 372 166.632 205.033 208.010 1.00 20.77 C +ATOM 14241 CG GLN B 372 167.918 204.245 207.879 1.00 19.81 C +ATOM 14242 CD GLN B 372 167.901 203.274 206.717 1.00 21.65 C +ATOM 14243 OE1 GLN B 372 166.998 202.448 206.591 1.00 23.41 O +ATOM 14244 NE2 GLN B 372 168.904 203.372 205.857 1.00 29.26 N +ATOM 14245 H GLN B 372 167.737 207.203 207.341 1.00 28.86 H +ATOM 14246 HA GLN B 372 166.261 205.365 206.023 1.00 32.71 H +ATOM 14247 HB2 GLN B 372 166.705 205.588 208.803 1.00 24.93 H +ATOM 14248 HB3 GLN B 372 165.906 204.399 208.119 1.00 24.93 H +ATOM 14249 HG2 GLN B 372 168.653 204.862 207.743 1.00 23.77 H +ATOM 14250 HG3 GLN B 372 168.059 203.735 208.692 1.00 23.77 H +ATOM 14251 HE21 GLN B 372 169.517 203.963 205.977 1.00 35.11 H +ATOM 14252 HE22 GLN B 372 168.942 202.844 205.179 1.00 35.11 H +ATOM 14253 N TYR B 373 164.056 206.384 206.086 1.00 20.31 N +ATOM 14254 CA TYR B 373 162.725 206.967 206.187 1.00 24.30 C +ATOM 14255 C TYR B 373 161.841 206.099 207.069 1.00 19.34 C +ATOM 14256 O TYR B 373 160.933 205.422 206.600 1.00 24.02 O +ATOM 14257 CB TYR B 373 162.113 207.149 204.799 1.00 23.58 C +ATOM 14258 CG TYR B 373 162.857 208.167 203.976 1.00 20.98 C +ATOM 14259 CD1 TYR B 373 162.771 209.520 204.275 1.00 23.69 C +ATOM 14260 CD2 TYR B 373 163.657 207.779 202.914 1.00 27.11 C +ATOM 14261 CE1 TYR B 373 163.456 210.454 203.535 1.00 24.62 C +ATOM 14262 CE2 TYR B 373 164.345 208.708 202.165 1.00 25.99 C +ATOM 14263 CZ TYR B 373 164.243 210.045 202.480 1.00 32.02 C +ATOM 14264 OH TYR B 373 164.932 210.974 201.732 1.00 28.90 O +ATOM 14265 H TYR B 373 164.174 205.890 205.392 1.00 24.38 H +ATOM 14266 HA TYR B 373 162.794 207.841 206.600 1.00 29.16 H +ATOM 14267 HB2 TYR B 373 162.139 206.302 204.327 1.00 28.29 H +ATOM 14268 HB3 TYR B 373 161.195 207.449 204.893 1.00 28.29 H +ATOM 14269 HD1 TYR B 373 162.242 209.798 204.987 1.00 28.43 H +ATOM 14270 HD2 TYR B 373 163.728 206.876 202.701 1.00 32.53 H +ATOM 14271 HE1 TYR B 373 163.387 211.358 203.744 1.00 29.54 H +ATOM 14272 HE2 TYR B 373 164.877 208.434 201.454 1.00 31.19 H +ATOM 14273 HH TYR B 373 164.783 211.746 202.026 1.00 34.68 H +ATOM 14274 N GLN B 374 162.145 206.120 208.359 1.00 22.09 N +ATOM 14275 CA GLN B 374 161.357 205.435 209.366 1.00 24.98 C +ATOM 14276 C GLN B 374 161.711 206.038 210.714 1.00 19.64 C +ATOM 14277 O GLN B 374 162.703 206.751 210.832 1.00 16.50 O +ATOM 14278 CB GLN B 374 161.613 203.924 209.349 1.00 21.73 C +ATOM 14279 CG GLN B 374 163.070 203.523 209.493 1.00 26.70 C +ATOM 14280 CD GLN B 374 163.253 202.014 209.566 1.00 28.45 C +ATOM 14281 OE1 GLN B 374 162.815 201.370 210.519 1.00 35.73 O +ATOM 14282 NE2 GLN B 374 163.896 201.445 208.555 1.00 29.66 N +ATOM 14283 H GLN B 374 162.823 206.538 208.682 1.00 26.51 H +ATOM 14284 HA GLN B 374 160.414 205.589 209.199 1.00 29.98 H +ATOM 14285 HB2 GLN B 374 161.123 203.519 210.082 1.00 26.08 H +ATOM 14286 HB3 GLN B 374 161.292 203.566 208.506 1.00 26.08 H +ATOM 14287 HG2 GLN B 374 163.567 203.850 208.726 1.00 32.03 H +ATOM 14288 HG3 GLN B 374 163.426 203.909 210.309 1.00 32.03 H +ATOM 14289 HE21 GLN B 374 164.185 201.926 207.903 1.00 35.59 H +ATOM 14290 HE22 GLN B 374 164.024 200.594 208.551 1.00 35.59 H +ATOM 14291 N ASN B 375 160.895 205.764 211.722 1.00 22.66 N +ATOM 14292 CA ASN B 375 161.120 206.314 213.048 1.00 19.53 C +ATOM 14293 C ASN B 375 160.468 205.465 214.125 1.00 22.70 C +ATOM 14294 O ASN B 375 159.446 204.824 213.898 1.00 19.61 O +ATOM 14295 CB ASN B 375 160.587 207.746 213.129 1.00 18.77 C +ATOM 14296 CG ASN B 375 161.101 208.497 214.345 1.00 19.94 C +ATOM 14297 OD1 ASN B 375 162.298 208.504 214.625 1.00 18.61 O +ATOM 14298 ND2 ASN B 375 160.193 209.130 215.075 1.00 25.47 N +ATOM 14299 H ASN B 375 160.200 205.261 211.663 1.00 27.19 H +ATOM 14300 HA ASN B 375 162.074 206.339 213.223 1.00 23.44 H +ATOM 14301 HB2 ASN B 375 160.864 208.231 212.337 1.00 22.52 H +ATOM 14302 HB3 ASN B 375 159.618 207.720 213.181 1.00 22.52 H +ATOM 14303 HD21 ASN B 375 160.433 209.570 215.774 1.00 30.57 H +ATOM 14304 HD22 ASN B 375 159.363 209.101 214.850 1.00 30.57 H +ATOM 14305 N ARG B 376 161.090 205.457 215.297 1.00 20.23 N +ATOM 14306 CA ARG B 376 160.517 204.853 216.485 1.00 23.57 C +ATOM 14307 C ARG B 376 160.716 205.836 217.629 1.00 18.56 C +ATOM 14308 O ARG B 376 161.829 206.300 217.866 1.00 21.24 O +ATOM 14309 CB ARG B 376 161.174 203.508 216.792 1.00 25.56 C +ATOM 14310 CG ARG B 376 160.419 202.651 217.799 1.00 24.18 C +ATOM 14311 CD ARG B 376 159.198 201.984 217.187 1.00 17.45 C +ATOM 14312 NE ARG B 376 159.554 201.077 216.101 1.00 20.51 N +ATOM 14313 CZ ARG B 376 160.007 199.837 216.266 1.00 18.34 C +ATOM 14314 NH1 ARG B 376 160.174 199.332 217.480 1.00 20.04 N +ATOM 14315 NH2 ARG B 376 160.300 199.097 215.207 1.00 19.89 N +ATOM 14316 H ARG B 376 161.865 205.805 215.429 1.00 24.28 H +ATOM 14317 HA ARG B 376 159.566 204.713 216.356 1.00 28.28 H +ATOM 14318 HB2 ARG B 376 161.243 203.001 215.968 1.00 30.68 H +ATOM 14319 HB3 ARG B 376 162.061 203.670 217.151 1.00 30.68 H +ATOM 14320 HG2 ARG B 376 161.009 201.955 218.129 1.00 29.01 H +ATOM 14321 HG3 ARG B 376 160.121 203.212 218.532 1.00 29.01 H +ATOM 14322 HD2 ARG B 376 158.739 201.472 217.871 1.00 20.94 H +ATOM 14323 HD3 ARG B 376 158.609 202.667 216.829 1.00 20.94 H +ATOM 14324 HE ARG B 376 159.465 201.364 215.295 1.00 24.61 H +ATOM 14325 HH11 ARG B 376 159.986 199.806 218.173 1.00 24.05 H +ATOM 14326 HH12 ARG B 376 160.468 198.530 217.575 1.00 24.05 H +ATOM 14327 HH21 ARG B 376 160.195 199.418 214.416 1.00 23.86 H +ATOM 14328 HH22 ARG B 376 160.594 198.296 215.310 1.00 23.86 H +ATOM 14329 N ILE B 377 159.631 206.172 218.315 1.00 18.35 N +ATOM 14330 CA ILE B 377 159.672 207.182 219.363 1.00 16.95 C +ATOM 14331 C ILE B 377 160.452 206.682 220.572 1.00 18.78 C +ATOM 14332 O ILE B 377 160.147 205.631 221.132 1.00 18.82 O +ATOM 14333 CB ILE B 377 158.250 207.592 219.797 1.00 19.22 C +ATOM 14334 CG1 ILE B 377 157.478 208.160 218.601 1.00 23.86 C +ATOM 14335 CG2 ILE B 377 158.293 208.602 220.943 1.00 19.46 C +ATOM 14336 CD1 ILE B 377 158.089 209.414 217.980 1.00 21.40 C +ATOM 14337 H ILE B 377 158.853 205.827 218.191 1.00 22.02 H +ATOM 14338 HA ILE B 377 160.121 207.972 219.023 1.00 20.34 H +ATOM 14339 HB ILE B 377 157.787 206.799 220.109 1.00 23.07 H +ATOM 14340 HG12 ILE B 377 157.436 207.481 217.909 1.00 28.64 H +ATOM 14341 HG13 ILE B 377 156.580 208.385 218.891 1.00 28.64 H +ATOM 14342 HG21 ILE B 377 157.385 208.838 221.190 1.00 23.35 H +ATOM 14343 HG22 ILE B 377 158.749 208.202 221.700 1.00 23.35 H +ATOM 14344 HG23 ILE B 377 158.772 209.393 220.649 1.00 23.35 H +ATOM 14345 HD11 ILE B 377 157.536 209.699 217.236 1.00 25.68 H +ATOM 14346 HD12 ILE B 377 158.126 210.112 218.652 1.00 25.68 H +ATOM 14347 HD13 ILE B 377 158.984 209.207 217.668 1.00 25.68 H +ATOM 14348 N ALA B 378 161.460 207.453 220.961 1.00 16.62 N +ATOM 14349 CA ALA B 378 162.292 207.120 222.109 1.00 17.79 C +ATOM 14350 C ALA B 378 161.643 207.594 223.400 1.00 22.47 C +ATOM 14351 O ALA B 378 161.101 208.697 223.463 1.00 24.96 O +ATOM 14352 CB ALA B 378 163.671 207.735 221.958 1.00 20.78 C +ATOM 14353 H ALA B 378 161.686 208.185 220.570 1.00 19.94 H +ATOM 14354 HA ALA B 378 162.395 206.157 222.159 1.00 21.34 H +ATOM 14355 HB1 ALA B 378 164.207 207.501 222.732 1.00 24.94 H +ATOM 14356 HB2 ALA B 378 164.085 207.388 221.152 1.00 24.94 H +ATOM 14357 HB3 ALA B 378 163.582 208.699 221.897 1.00 24.94 H +ATOM 14358 N ALA B 379 161.704 206.755 224.427 1.00 24.53 N +ATOM 14359 CA ALA B 379 161.152 207.093 225.730 1.00 17.61 C +ATOM 14360 C ALA B 379 161.846 208.318 226.310 1.00 22.81 C +ATOM 14361 O ALA B 379 161.226 209.120 227.007 1.00 24.43 O +ATOM 14362 CB ALA B 379 161.281 205.914 226.677 1.00 22.43 C +ATOM 14363 H ALA B 379 162.064 205.974 224.393 1.00 29.44 H +ATOM 14364 HA ALA B 379 160.210 207.299 225.631 1.00 21.13 H +ATOM 14365 HB1 ALA B 379 160.908 206.159 227.538 1.00 26.91 H +ATOM 14366 HB2 ALA B 379 160.795 205.159 226.308 1.00 26.91 H +ATOM 14367 HB3 ALA B 379 162.219 205.688 226.774 1.00 26.91 H +ATOM 14368 N GLU B 380 163.133 208.461 226.021 1.00 27.29 N +ATOM 14369 CA GLU B 380 163.902 209.592 226.521 1.00 24.39 C +ATOM 14370 C GLU B 380 163.470 210.892 225.851 1.00 29.24 C +ATOM 14371 O GLU B 380 163.556 211.964 226.451 1.00 29.33 O +ATOM 14372 CB GLU B 380 165.397 209.360 226.311 1.00 27.64 C +ATOM 14373 CG GLU B 380 165.936 208.158 227.072 1.00 30.41 C +ATOM 14374 CD GLU B 380 166.159 206.938 226.190 1.00 31.02 C +ATOM 14375 OE1 GLU B 380 165.482 206.808 225.150 1.00 20.17 O +ATOM 14376 OE2 GLU B 380 167.019 206.105 226.544 1.00 25.72 O +ATOM 14377 H GLU B 380 163.587 207.916 225.535 1.00 32.74 H +ATOM 14378 HA GLU B 380 163.745 209.682 227.475 1.00 29.27 H +ATOM 14379 HB2 GLU B 380 165.561 209.212 225.367 1.00 33.17 H +ATOM 14380 HB3 GLU B 380 165.882 210.144 226.611 1.00 33.17 H +ATOM 14381 HG2 GLU B 380 166.787 208.396 227.473 1.00 36.49 H +ATOM 14382 HG3 GLU B 380 165.302 207.914 227.764 1.00 36.49 H +ATOM 14383 N PHE B 381 163.016 210.795 224.605 1.00 25.58 N +ATOM 14384 CA PHE B 381 162.482 211.953 223.901 1.00 26.10 C +ATOM 14385 C PHE B 381 161.222 212.427 224.615 1.00 23.90 C +ATOM 14386 O PHE B 381 160.988 213.623 224.762 1.00 20.21 O +ATOM 14387 CB PHE B 381 162.178 211.606 222.442 1.00 23.41 C +ATOM 14388 CG PHE B 381 161.873 212.797 221.571 1.00 17.38 C +ATOM 14389 CD1 PHE B 381 162.486 214.019 221.788 1.00 25.14 C +ATOM 14390 CD2 PHE B 381 160.976 212.686 220.523 1.00 21.97 C +ATOM 14391 CE1 PHE B 381 162.207 215.102 220.981 1.00 17.28 C +ATOM 14392 CE2 PHE B 381 160.697 213.767 219.713 1.00 19.17 C +ATOM 14393 CZ PHE B 381 161.312 214.976 219.944 1.00 20.75 C +ATOM 14394 H PHE B 381 163.007 210.068 224.146 1.00 30.69 H +ATOM 14395 HA PHE B 381 163.133 212.671 223.917 1.00 31.32 H +ATOM 14396 HB2 PHE B 381 162.948 211.154 222.063 1.00 28.09 H +ATOM 14397 HB3 PHE B 381 161.408 211.017 222.416 1.00 28.09 H +ATOM 14398 HD1 PHE B 381 163.092 214.111 222.487 1.00 30.17 H +ATOM 14399 HD2 PHE B 381 160.558 211.871 220.361 1.00 26.37 H +ATOM 14400 HE1 PHE B 381 162.623 215.918 221.139 1.00 20.73 H +ATOM 14401 HE2 PHE B 381 160.090 213.680 219.013 1.00 23.01 H +ATOM 14402 HZ PHE B 381 161.123 215.707 219.401 1.00 24.90 H +ATOM 14403 N ASN B 382 160.412 211.471 225.053 1.00 27.75 N +ATOM 14404 CA ASN B 382 159.213 211.763 225.827 1.00 26.50 C +ATOM 14405 C ASN B 382 159.587 212.443 227.138 1.00 26.56 C +ATOM 14406 O ASN B 382 159.006 213.461 227.500 1.00 33.64 O +ATOM 14407 CB ASN B 382 158.420 210.471 226.075 1.00 29.47 C +ATOM 14408 CG ASN B 382 157.133 210.694 226.857 1.00 30.62 C +ATOM 14409 OD1 ASN B 382 157.119 211.353 227.892 1.00 42.70 O +ATOM 14410 ND2 ASN B 382 156.045 210.126 226.363 1.00 37.36 N +ATOM 14411 H ASN B 382 160.537 210.632 224.913 1.00 33.30 H +ATOM 14412 HA ASN B 382 158.649 212.371 225.322 1.00 31.80 H +ATOM 14413 HB2 ASN B 382 158.185 210.078 225.220 1.00 35.36 H +ATOM 14414 HB3 ASN B 382 158.973 209.856 226.581 1.00 35.36 H +ATOM 14415 HD21 ASN B 382 155.290 210.220 226.765 1.00 44.83 H +ATOM 14416 HD22 ASN B 382 156.092 209.662 225.641 1.00 44.83 H +ATOM 14417 N THR B 383 160.574 211.887 227.830 1.00 33.48 N +ATOM 14418 CA THR B 383 160.995 212.398 229.132 1.00 25.99 C +ATOM 14419 C THR B 383 161.502 213.838 229.071 1.00 26.90 C +ATOM 14420 O THR B 383 161.129 214.665 229.902 1.00 29.86 O +ATOM 14421 CB THR B 383 162.098 211.508 229.739 1.00 25.37 C +ATOM 14422 OG1 THR B 383 161.567 210.201 229.985 1.00 28.06 O +ATOM 14423 CG2 THR B 383 162.630 212.088 231.056 1.00 26.01 C +ATOM 14424 H THR B 383 161.022 211.203 227.565 1.00 40.18 H +ATOM 14425 HA THR B 383 160.234 212.379 229.734 1.00 31.18 H +ATOM 14426 HB THR B 383 162.837 211.442 229.115 1.00 30.44 H +ATOM 14427 HG1 THR B 383 160.922 210.249 230.521 1.00 33.68 H +ATOM 14428 HG21 THR B 383 163.321 211.511 231.417 1.00 31.21 H +ATOM 14429 HG22 THR B 383 163.004 212.970 230.902 1.00 31.21 H +ATOM 14430 HG23 THR B 383 161.909 212.160 231.701 1.00 31.21 H +ATOM 14431 N LEU B 384 162.355 214.138 228.097 1.00 26.20 N +ATOM 14432 CA LEU B 384 162.947 215.468 227.998 1.00 30.16 C +ATOM 14433 C LEU B 384 161.920 216.512 227.557 1.00 28.54 C +ATOM 14434 O LEU B 384 162.145 217.709 227.719 1.00 30.77 O +ATOM 14435 CB LEU B 384 164.140 215.459 227.031 1.00 27.06 C +ATOM 14436 CG LEU B 384 163.862 215.249 225.539 1.00 28.87 C +ATOM 14437 CD1 LEU B 384 163.653 216.575 224.818 1.00 25.06 C +ATOM 14438 CD2 LEU B 384 165.009 214.483 224.893 1.00 32.07 C +ATOM 14439 H LEU B 384 162.606 213.592 227.482 1.00 31.44 H +ATOM 14440 HA LEU B 384 163.276 215.728 228.873 1.00 36.19 H +ATOM 14441 HB2 LEU B 384 164.596 216.311 227.115 1.00 32.47 H +ATOM 14442 HB3 LEU B 384 164.741 214.751 227.307 1.00 32.47 H +ATOM 14443 HG LEU B 384 163.054 214.722 225.439 1.00 34.64 H +ATOM 14444 HD11 LEU B 384 163.481 216.399 223.879 1.00 30.07 H +ATOM 14445 HD12 LEU B 384 162.895 217.033 225.213 1.00 30.07 H +ATOM 14446 HD13 LEU B 384 164.453 217.115 224.912 1.00 30.07 H +ATOM 14447 HD21 LEU B 384 164.815 214.361 223.951 1.00 38.49 H +ATOM 14448 HD22 LEU B 384 165.828 214.993 225.000 1.00 38.49 H +ATOM 14449 HD23 LEU B 384 165.097 213.621 225.329 1.00 38.49 H +ATOM 14450 N TYR B 385 160.794 216.064 227.008 1.00 33.25 N +ATOM 14451 CA TYR B 385 159.787 216.989 226.490 1.00 36.20 C +ATOM 14452 C TYR B 385 158.735 217.377 227.531 1.00 34.65 C +ATOM 14453 O TYR B 385 157.748 218.031 227.202 1.00 29.14 O +ATOM 14454 CB TYR B 385 159.094 216.398 225.262 1.00 25.48 C +ATOM 14455 CG TYR B 385 159.140 217.321 224.068 1.00 30.68 C +ATOM 14456 CD1 TYR B 385 159.753 216.934 222.885 1.00 31.59 C +ATOM 14457 CD2 TYR B 385 158.592 218.593 224.136 1.00 32.51 C +ATOM 14458 CE1 TYR B 385 159.803 217.787 221.798 1.00 29.06 C +ATOM 14459 CE2 TYR B 385 158.638 219.447 223.060 1.00 30.66 C +ATOM 14460 CZ TYR B 385 159.244 219.042 221.894 1.00 30.49 C +ATOM 14461 OH TYR B 385 159.288 219.901 220.823 1.00 27.86 O +ATOM 14462 H TYR B 385 160.589 215.233 226.923 1.00 39.89 H +ATOM 14463 HA TYR B 385 160.233 217.803 226.210 1.00 43.44 H +ATOM 14464 HB2 TYR B 385 159.535 215.569 225.018 1.00 30.58 H +ATOM 14465 HB3 TYR B 385 158.163 216.229 225.475 1.00 30.58 H +ATOM 14466 HD1 TYR B 385 160.131 216.086 222.820 1.00 37.91 H +ATOM 14467 HD2 TYR B 385 158.181 218.872 224.922 1.00 39.01 H +ATOM 14468 HE1 TYR B 385 160.213 217.516 221.008 1.00 34.87 H +ATOM 14469 HE2 TYR B 385 158.262 220.295 223.120 1.00 36.80 H +ATOM 14470 HH TYR B 385 159.682 219.536 220.178 1.00 33.43 H +ATOM 14471 N HIS B 386 158.945 216.987 228.781 1.00 31.27 N +ATOM 14472 CA HIS B 386 158.063 217.427 229.853 1.00 46.68 C +ATOM 14473 C HIS B 386 158.390 218.875 230.206 1.00 48.14 C +ATOM 14474 O HIS B 386 159.014 219.154 231.227 1.00 49.40 O +ATOM 14475 CB HIS B 386 158.195 216.517 231.073 1.00 58.70 C +ATOM 14476 CG HIS B 386 157.536 215.183 230.899 1.00 50.23 C +ATOM 14477 ND1 HIS B 386 156.334 214.863 231.491 1.00 71.18 N +ATOM 14478 CD2 HIS B 386 157.904 214.095 230.183 1.00 43.79 C +ATOM 14479 CE1 HIS B 386 155.994 213.631 231.155 1.00 64.10 C +ATOM 14480 NE2 HIS B 386 156.930 213.144 230.361 1.00 46.80 N +ATOM 14481 H HIS B 386 159.586 216.472 229.034 1.00 37.52 H +ATOM 14482 HA HIS B 386 157.144 217.390 229.545 1.00 56.01 H +ATOM 14483 HB2 HIS B 386 159.136 216.363 231.250 1.00 70.44 H +ATOM 14484 HB3 HIS B 386 157.784 216.954 231.836 1.00 70.44 H +ATOM 14485 HD2 HIS B 386 158.674 214.007 229.669 1.00 52.54 H +ATOM 14486 HE1 HIS B 386 155.227 213.184 231.430 1.00 76.92 H +ATOM 14487 HE2 HIS B 386 156.930 212.357 230.013 1.00 56.16 H +ATOM 14488 N TRP B 387 157.967 219.788 229.334 1.00 47.01 N +ATOM 14489 CA TRP B 387 158.273 221.208 229.469 1.00 52.37 C +ATOM 14490 C TRP B 387 157.179 221.946 230.220 1.00 51.00 C +ATOM 14491 O TRP B 387 156.635 222.931 229.726 1.00 43.90 O +ATOM 14492 CB TRP B 387 158.454 221.852 228.096 1.00 47.55 C +ATOM 14493 CG TRP B 387 159.585 221.311 227.297 1.00 39.95 C +ATOM 14494 CD1 TRP B 387 160.542 220.433 227.711 1.00 34.63 C +ATOM 14495 CD2 TRP B 387 159.882 221.620 225.935 1.00 41.34 C +ATOM 14496 NE1 TRP B 387 161.418 220.173 226.687 1.00 33.24 N +ATOM 14497 CE2 TRP B 387 161.034 220.890 225.584 1.00 39.20 C +ATOM 14498 CE3 TRP B 387 159.285 222.442 224.976 1.00 32.03 C +ATOM 14499 CZ2 TRP B 387 161.599 220.956 224.314 1.00 35.31 C +ATOM 14500 CZ3 TRP B 387 159.847 222.508 223.719 1.00 42.08 C +ATOM 14501 CH2 TRP B 387 160.994 221.770 223.398 1.00 39.80 C +ATOM 14502 H TRP B 387 157.492 219.604 228.641 1.00 56.41 H +ATOM 14503 HA TRP B 387 159.102 221.310 229.964 1.00 62.84 H +ATOM 14504 HB2 TRP B 387 157.642 221.718 227.582 1.00 57.06 H +ATOM 14505 HB3 TRP B 387 158.609 222.802 228.218 1.00 57.06 H +ATOM 14506 HD1 TRP B 387 160.593 220.063 228.563 1.00 41.55 H +ATOM 14507 HE1 TRP B 387 162.096 219.646 226.730 1.00 39.89 H +ATOM 14508 HE3 TRP B 387 158.523 222.935 225.181 1.00 38.43 H +ATOM 14509 HZ2 TRP B 387 162.361 220.469 224.098 1.00 42.38 H +ATOM 14510 HZ3 TRP B 387 159.458 223.052 223.072 1.00 50.49 H +ATOM 14511 HH2 TRP B 387 161.351 221.835 222.541 1.00 47.76 H +ATOM 14512 N HIS B 388 156.854 221.474 231.414 1.00 63.28 N +ATOM 14513 CA HIS B 388 155.806 222.098 232.204 1.00 67.85 C +ATOM 14514 C HIS B 388 156.230 223.432 232.836 1.00 62.15 C +ATOM 14515 O HIS B 388 155.372 224.215 233.235 1.00 55.61 O +ATOM 14516 CB HIS B 388 155.327 221.118 233.272 1.00 61.66 C +ATOM 14517 CG HIS B 388 154.627 219.923 232.702 1.00 67.86 C +ATOM 14518 ND1 HIS B 388 155.191 218.666 232.682 1.00 59.39 N +ATOM 14519 CD2 HIS B 388 153.421 219.803 232.098 1.00 64.30 C +ATOM 14520 CE1 HIS B 388 154.356 217.821 232.104 1.00 74.53 C +ATOM 14521 NE2 HIS B 388 153.273 218.485 231.741 1.00 62.85 N +ATOM 14522 H HIS B 388 157.224 220.794 231.789 1.00 75.93 H +ATOM 14523 HA HIS B 388 155.054 222.282 231.620 1.00 81.42 H +ATOM 14524 HB2 HIS B 388 156.092 220.803 233.777 1.00 73.99 H +ATOM 14525 HB3 HIS B 388 154.706 221.574 233.862 1.00 73.99 H +ATOM 14526 HD1 HIS B 388 155.964 218.463 233.000 1.00 71.27 H +ATOM 14527 HD2 HIS B 388 152.804 220.485 231.958 1.00 77.16 H +ATOM 14528 HE1 HIS B 388 154.504 216.912 231.977 1.00 89.44 H +ATOM 14529 N PRO B 389 157.545 223.706 232.926 1.00 47.52 N +ATOM 14530 CA PRO B 389 157.887 225.064 233.359 1.00 47.28 C +ATOM 14531 C PRO B 389 157.447 226.145 232.367 1.00 43.89 C +ATOM 14532 O PRO B 389 157.447 227.320 232.728 1.00 41.24 O +ATOM 14533 CB PRO B 389 159.413 225.023 233.471 1.00 44.95 C +ATOM 14534 CG PRO B 389 159.742 223.597 233.695 1.00 41.91 C +ATOM 14535 CD PRO B 389 158.726 222.822 232.926 1.00 45.47 C +ATOM 14536 HA PRO B 389 157.504 225.249 234.231 1.00 56.74 H +ATOM 14537 HB2 PRO B 389 159.810 225.342 232.645 1.00 53.94 H +ATOM 14538 HB3 PRO B 389 159.700 225.564 234.222 1.00 53.94 H +ATOM 14539 HG2 PRO B 389 160.635 223.413 233.363 1.00 50.29 H +ATOM 14540 HG3 PRO B 389 159.681 223.394 234.641 1.00 50.29 H +ATOM 14541 HD2 PRO B 389 159.033 222.670 232.018 1.00 54.56 H +ATOM 14542 HD3 PRO B 389 158.524 221.988 233.378 1.00 54.56 H +ATOM 14543 N LEU B 390 157.096 225.759 231.145 1.00 43.66 N +ATOM 14544 CA LEU B 390 156.537 226.695 230.171 1.00 45.44 C +ATOM 14545 C LEU B 390 155.248 227.314 230.691 1.00 49.77 C +ATOM 14546 O LEU B 390 154.915 228.454 230.362 1.00 43.52 O +ATOM 14547 CB LEU B 390 156.241 225.999 228.840 1.00 40.11 C +ATOM 14548 CG LEU B 390 157.371 225.700 227.856 1.00 43.07 C +ATOM 14549 CD1 LEU B 390 156.807 224.906 226.694 1.00 41.65 C +ATOM 14550 CD2 LEU B 390 158.022 226.973 227.359 1.00 34.51 C +ATOM 14551 H LEU B 390 157.173 224.954 230.851 1.00 52.39 H +ATOM 14552 HA LEU B 390 157.174 227.408 230.009 1.00 54.52 H +ATOM 14553 HB2 LEU B 390 155.825 225.147 229.046 1.00 48.13 H +ATOM 14554 HB3 LEU B 390 155.601 226.549 228.362 1.00 48.13 H +ATOM 14555 HG LEU B 390 158.048 225.161 228.296 1.00 51.69 H +ATOM 14556 HD11 LEU B 390 157.522 224.715 226.067 1.00 49.98 H +ATOM 14557 HD12 LEU B 390 156.431 224.078 227.030 1.00 49.98 H +ATOM 14558 HD13 LEU B 390 156.117 225.432 226.259 1.00 49.98 H +ATOM 14559 HD21 LEU B 390 158.732 226.743 226.739 1.00 41.41 H +ATOM 14560 HD22 LEU B 390 157.354 227.515 226.911 1.00 41.41 H +ATOM 14561 HD23 LEU B 390 158.388 227.457 228.116 1.00 41.41 H +ATOM 14562 N LEU B 391 154.521 226.543 231.489 1.00 53.94 N +ATOM 14563 CA LEU B 391 153.181 226.924 231.905 1.00 58.13 C +ATOM 14564 C LEU B 391 153.191 228.125 232.857 1.00 62.47 C +ATOM 14565 O LEU B 391 154.053 228.219 233.732 1.00 51.38 O +ATOM 14566 CB LEU B 391 152.492 225.738 232.571 1.00 54.72 C +ATOM 14567 CG LEU B 391 152.252 224.511 231.694 1.00 48.88 C +ATOM 14568 CD1 LEU B 391 151.794 223.336 232.544 1.00 53.20 C +ATOM 14569 CD2 LEU B 391 151.228 224.819 230.616 1.00 54.71 C +ATOM 14570 H LEU B 391 154.783 225.787 231.805 1.00 64.73 H +ATOM 14571 HA LEU B 391 152.666 227.169 231.121 1.00 69.75 H +ATOM 14572 HB2 LEU B 391 153.036 225.453 233.322 1.00 65.67 H +ATOM 14573 HB3 LEU B 391 151.627 226.032 232.895 1.00 65.67 H +ATOM 14574 HG LEU B 391 153.083 224.263 231.259 1.00 58.66 H +ATOM 14575 HD11 LEU B 391 151.648 222.569 231.969 1.00 63.84 H +ATOM 14576 HD12 LEU B 391 152.481 223.134 233.198 1.00 63.84 H +ATOM 14577 HD13 LEU B 391 150.969 223.575 232.993 1.00 63.84 H +ATOM 14578 HD21 LEU B 391 151.093 224.026 230.074 1.00 65.65 H +ATOM 14579 HD22 LEU B 391 150.394 225.077 231.039 1.00 65.65 H +ATOM 14580 HD23 LEU B 391 151.559 225.545 230.065 1.00 65.65 H +ATOM 14581 N PRO B 392 152.226 229.049 232.693 1.00 60.00 N +ATOM 14582 CA PRO B 392 152.131 230.233 233.555 1.00 55.48 C +ATOM 14583 C PRO B 392 151.386 229.957 234.857 1.00 53.23 C +ATOM 14584 O PRO B 392 150.887 228.852 235.058 1.00 53.00 O +ATOM 14585 CB PRO B 392 151.357 231.220 232.687 1.00 59.94 C +ATOM 14586 CG PRO B 392 150.446 230.351 231.890 1.00 59.97 C +ATOM 14587 CD PRO B 392 151.193 229.066 231.640 1.00 62.85 C +ATOM 14588 HA PRO B 392 153.013 230.588 233.749 1.00 66.58 H +ATOM 14589 HB2 PRO B 392 150.853 231.829 233.248 1.00 71.93 H +ATOM 14590 HB3 PRO B 392 151.969 231.704 232.110 1.00 71.93 H +ATOM 14591 HG2 PRO B 392 149.637 230.180 232.397 1.00 71.96 H +ATOM 14592 HG3 PRO B 392 150.234 230.788 231.050 1.00 71.96 H +ATOM 14593 HD2 PRO B 392 150.598 228.305 231.739 1.00 75.42 H +ATOM 14594 HD3 PRO B 392 151.606 229.081 230.763 1.00 75.42 H +ATOM 14595 N ASP B 393 151.312 230.955 235.730 1.00 55.09 N +ATOM 14596 CA ASP B 393 150.573 230.820 236.980 1.00 62.02 C +ATOM 14597 C ASP B 393 149.078 231.015 236.741 1.00 53.49 C +ATOM 14598 O ASP B 393 148.250 230.419 237.428 1.00 61.41 O +ATOM 14599 CB ASP B 393 151.087 231.819 238.017 1.00 63.62 C +ATOM 14600 CG ASP B 393 152.478 231.475 238.518 1.00 74.00 C +ATOM 14601 OD1 ASP B 393 152.791 230.271 238.644 1.00 57.21 O +ATOM 14602 OD2 ASP B 393 153.258 232.412 238.787 1.00 62.03 O +ATOM 14603 H ASP B 393 151.681 231.724 235.621 1.00 66.11 H +ATOM 14604 HA ASP B 393 150.707 229.926 237.331 1.00 74.43 H +ATOM 14605 HB2 ASP B 393 151.122 232.702 237.616 1.00 76.35 H +ATOM 14606 HB3 ASP B 393 150.486 231.823 238.778 1.00 76.35 H +ATOM 14607 N THR B 394 148.742 231.852 235.764 1.00 48.05 N +ATOM 14608 CA THR B 394 147.361 232.023 235.330 1.00 61.56 C +ATOM 14609 C THR B 394 147.321 232.255 233.824 1.00 60.37 C +ATOM 14610 O THR B 394 148.308 232.688 233.230 1.00 57.53 O +ATOM 14611 CB THR B 394 146.663 233.204 236.041 1.00 65.88 C +ATOM 14612 OG1 THR B 394 147.348 234.426 235.740 1.00 74.83 O +ATOM 14613 CG2 THR B 394 146.639 232.992 237.547 1.00 55.23 C +ATOM 14614 H THR B 394 149.305 232.339 235.333 1.00 57.66 H +ATOM 14615 HA THR B 394 146.862 231.214 235.525 1.00 73.87 H +ATOM 14616 HB THR B 394 145.747 233.267 235.729 1.00 79.05 H +ATOM 14617 HG1 THR B 394 146.970 235.069 236.126 1.00 89.79 H +ATOM 14618 HG21 THR B 394 146.198 233.741 237.979 1.00 66.27 H +ATOM 14619 HG22 THR B 394 146.157 232.177 237.759 1.00 66.27 H +ATOM 14620 HG23 THR B 394 147.545 232.921 237.886 1.00 66.27 H +ATOM 14621 N PHE B 395 146.176 231.961 233.215 1.00 54.74 N +ATOM 14622 CA PHE B 395 145.990 232.142 231.779 1.00 59.97 C +ATOM 14623 C PHE B 395 145.164 233.393 231.505 1.00 55.15 C +ATOM 14624 O PHE B 395 144.079 233.564 232.055 1.00 66.36 O +ATOM 14625 CB PHE B 395 145.315 230.914 231.170 1.00 62.19 C +ATOM 14626 CG PHE B 395 146.038 229.628 231.449 1.00 66.73 C +ATOM 14627 CD1 PHE B 395 146.967 229.130 230.550 1.00 50.57 C +ATOM 14628 CD2 PHE B 395 145.798 228.922 232.615 1.00 59.84 C +ATOM 14629 CE1 PHE B 395 147.635 227.949 230.808 1.00 51.55 C +ATOM 14630 CE2 PHE B 395 146.465 227.742 232.876 1.00 62.94 C +ATOM 14631 CZ PHE B 395 147.384 227.256 231.972 1.00 51.86 C +ATOM 14632 H PHE B 395 145.483 231.650 233.618 1.00 65.69 H +ATOM 14633 HA PHE B 395 146.856 232.252 231.357 1.00 71.96 H +ATOM 14634 HB2 PHE B 395 144.419 230.836 231.535 1.00 74.63 H +ATOM 14635 HB3 PHE B 395 145.269 231.027 230.208 1.00 74.63 H +ATOM 14636 HD1 PHE B 395 147.139 229.594 229.763 1.00 60.69 H +ATOM 14637 HD2 PHE B 395 145.179 229.246 233.229 1.00 71.81 H +ATOM 14638 HE1 PHE B 395 148.255 227.623 230.196 1.00 61.86 H +ATOM 14639 HE2 PHE B 395 146.294 227.275 233.662 1.00 75.53 H +ATOM 14640 HZ PHE B 395 147.833 226.461 232.146 1.00 62.23 H +ATOM 14641 N GLN B 396 145.693 234.262 230.651 1.00 55.37 N +ATOM 14642 CA GLN B 396 145.050 235.530 230.327 1.00 59.53 C +ATOM 14643 C GLN B 396 144.401 235.479 228.950 1.00 64.76 C +ATOM 14644 O GLN B 396 145.095 235.455 227.937 1.00 67.10 O +ATOM 14645 CB GLN B 396 146.073 236.668 230.379 1.00 74.27 C +ATOM 14646 CG GLN B 396 146.686 236.885 231.758 1.00 90.58 C +ATOM 14647 CD GLN B 396 148.115 237.393 231.698 1.00 99.54 C +ATOM 14648 OE1 GLN B 396 148.564 237.909 230.674 1.00100.60 O +ATOM 14649 NE2 GLN B 396 148.839 237.244 232.801 1.00103.74 N +ATOM 14650 H GLN B 396 146.438 234.138 230.239 1.00 66.44 H +ATOM 14651 HA GLN B 396 144.359 235.714 230.982 1.00 71.44 H +ATOM 14652 HB2 GLN B 396 146.794 236.467 229.762 1.00 89.12 H +ATOM 14653 HB3 GLN B 396 145.635 237.493 230.116 1.00 89.12 H +ATOM 14654 HG2 GLN B 396 146.156 237.539 232.239 1.00108.70 H +ATOM 14655 HG3 GLN B 396 146.688 236.042 232.238 1.00108.70 H +ATOM 14656 HE21 GLN B 396 148.493 236.876 233.497 1.00124.49 H +ATOM 14657 HE22 GLN B 396 149.655 237.515 232.820 1.00124.49 H +ATOM 14658 N ILE B 397 143.071 235.448 228.920 1.00 75.32 N +ATOM 14659 CA ILE B 397 142.321 235.541 227.669 1.00 93.67 C +ATOM 14660 C ILE B 397 141.581 236.872 227.633 1.00 93.94 C +ATOM 14661 O ILE B 397 140.782 237.172 228.517 1.00 90.26 O +ATOM 14662 CB ILE B 397 141.306 234.396 227.496 1.00 79.91 C +ATOM 14663 CG1 ILE B 397 141.940 233.039 227.820 1.00 70.08 C +ATOM 14664 CG2 ILE B 397 140.745 234.403 226.076 1.00 63.53 C +ATOM 14665 CD1 ILE B 397 143.041 232.623 226.882 1.00 70.44 C +ATOM 14666 H ILE B 397 142.574 235.373 229.618 1.00 90.38 H +ATOM 14667 HA ILE B 397 142.940 235.515 226.922 1.00112.40 H +ATOM 14668 HB ILE B 397 140.572 234.545 228.114 1.00 95.89 H +ATOM 14669 HG12 ILE B 397 142.315 233.077 228.714 1.00 84.10 H +ATOM 14670 HG13 ILE B 397 141.251 232.358 227.785 1.00 84.10 H +ATOM 14671 HG21 ILE B 397 140.109 233.677 225.985 1.00 76.24 H +ATOM 14672 HG22 ILE B 397 140.305 235.252 225.915 1.00 76.24 H +ATOM 14673 HG23 ILE B 397 141.475 234.284 225.449 1.00 76.24 H +ATOM 14674 HD11 ILE B 397 143.383 231.759 227.160 1.00 84.52 H +ATOM 14675 HD12 ILE B 397 142.683 232.564 225.982 1.00 84.52 H +ATOM 14676 HD13 ILE B 397 143.750 233.285 226.914 1.00 84.52 H +ATOM 14677 N HIS B 398 141.856 237.659 226.599 1.00 88.35 N +ATOM 14678 CA HIS B 398 141.304 239.000 226.471 1.00104.68 C +ATOM 14679 C HIS B 398 141.664 239.845 227.698 1.00 97.27 C +ATOM 14680 O HIS B 398 142.773 240.369 227.784 1.00114.09 O +ATOM 14681 CB HIS B 398 139.787 238.949 226.261 1.00114.51 C +ATOM 14682 CG HIS B 398 139.190 240.263 225.860 1.00107.52 C +ATOM 14683 ND1 HIS B 398 139.940 241.413 225.737 1.00107.74 N +ATOM 14684 CD2 HIS B 398 137.919 240.608 225.545 1.00107.07 C +ATOM 14685 CE1 HIS B 398 139.157 242.410 225.368 1.00 83.63 C +ATOM 14686 NE2 HIS B 398 137.926 241.949 225.244 1.00 97.75 N +ATOM 14687 H HIS B 398 142.370 237.433 225.947 1.00106.03 H +ATOM 14688 HA HIS B 398 141.697 239.426 225.693 1.00125.62 H +ATOM 14689 HB2 HIS B 398 139.590 238.308 225.560 1.00137.41 H +ATOM 14690 HB3 HIS B 398 139.366 238.672 227.089 1.00137.41 H +ATOM 14691 HD2 HIS B 398 137.180 240.043 225.535 1.00128.48 H +ATOM 14692 HE1 HIS B 398 139.426 243.288 225.221 1.00100.35 H +ATOM 14693 HE2 HIS B 398 137.239 242.412 225.013 1.00117.30 H +ATOM 14694 N ASP B 399 140.737 239.969 228.644 1.00 91.23 N +ATOM 14695 CA ASP B 399 140.944 240.791 229.834 1.00 86.09 C +ATOM 14696 C ASP B 399 140.578 240.030 231.106 1.00 77.84 C +ATOM 14697 O ASP B 399 140.419 240.631 232.170 1.00105.30 O +ATOM 14698 CB ASP B 399 140.121 242.077 229.736 1.00102.39 C +ATOM 14699 CG ASP B 399 138.649 241.809 229.492 1.00114.63 C +ATOM 14700 OD1 ASP B 399 138.324 240.730 228.954 1.00116.05 O +ATOM 14701 OD2 ASP B 399 137.822 242.679 229.834 1.00120.41 O +ATOM 14702 H ASP B 399 139.970 239.582 228.620 1.00109.47 H +ATOM 14703 HA ASP B 399 141.881 241.037 229.889 1.00103.31 H +ATOM 14704 HB2 ASP B 399 140.203 242.569 230.568 1.00122.86 H +ATOM 14705 HB3 ASP B 399 140.456 242.612 228.999 1.00122.86 H +ATOM 14706 N GLN B 400 140.449 238.710 230.992 1.00 85.49 N +ATOM 14707 CA GLN B 400 140.109 237.860 232.129 1.00 78.77 C +ATOM 14708 C GLN B 400 141.260 236.918 232.467 1.00 67.45 C +ATOM 14709 O GLN B 400 141.987 236.469 231.581 1.00 75.69 O +ATOM 14710 CB GLN B 400 138.843 237.051 231.839 1.00 74.36 C +ATOM 14711 CG GLN B 400 137.643 237.898 231.436 1.00 90.21 C +ATOM 14712 CD GLN B 400 136.356 237.096 231.369 1.00 77.48 C +ATOM 14713 OE1 GLN B 400 136.057 236.305 232.263 1.00 79.28 O +ATOM 14714 NE2 GLN B 400 135.590 237.293 230.303 1.00 77.25 N +ATOM 14715 H GLN B 400 140.554 238.278 230.256 1.00102.59 H +ATOM 14716 HA GLN B 400 139.939 238.419 232.903 1.00 94.52 H +ATOM 14717 HB2 GLN B 400 139.027 236.435 231.113 1.00 89.23 H +ATOM 14718 HB3 GLN B 400 138.601 236.555 232.636 1.00 89.23 H +ATOM 14719 HG2 GLN B 400 137.522 238.606 232.088 1.00108.26 H +ATOM 14720 HG3 GLN B 400 137.805 238.280 230.559 1.00108.26 H +ATOM 14721 HE21 GLN B 400 135.833 237.852 229.696 1.00 92.70 H +ATOM 14722 HE22 GLN B 400 134.851 236.862 230.219 1.00 92.70 H +ATOM 14723 N LYS B 401 141.419 236.628 233.755 1.00 62.99 N +ATOM 14724 CA LYS B 401 142.443 235.700 234.226 1.00 55.66 C +ATOM 14725 C LYS B 401 141.806 234.423 234.758 1.00 61.07 C +ATOM 14726 O LYS B 401 140.772 234.469 235.423 1.00 60.39 O +ATOM 14727 CB LYS B 401 143.305 236.347 235.313 1.00 61.80 C +ATOM 14728 CG LYS B 401 144.216 237.459 234.808 1.00 80.43 C +ATOM 14729 CD LYS B 401 145.236 237.858 235.865 1.00 95.90 C +ATOM 14730 CE LYS B 401 146.169 238.949 235.363 1.00106.65 C +ATOM 14731 NZ LYS B 401 145.464 240.245 235.168 1.00114.19 N +ATOM 14732 H LYS B 401 140.938 236.961 234.386 1.00 75.58 H +ATOM 14733 HA LYS B 401 143.022 235.463 233.484 1.00 66.79 H +ATOM 14734 HB2 LYS B 401 142.722 236.728 235.988 1.00 74.16 H +ATOM 14735 HB3 LYS B 401 143.867 235.664 235.713 1.00 74.16 H +ATOM 14736 HG2 LYS B 401 144.694 237.150 234.023 1.00 96.52 H +ATOM 14737 HG3 LYS B 401 143.681 238.238 234.591 1.00 96.52 H +ATOM 14738 HD2 LYS B 401 144.772 238.192 236.647 1.00115.08 H +ATOM 14739 HD3 LYS B 401 145.773 237.084 236.098 1.00115.08 H +ATOM 14740 HE2 LYS B 401 146.877 239.086 236.012 1.00127.99 H +ATOM 14741 HE3 LYS B 401 146.545 238.679 234.511 1.00127.99 H +ATOM 14742 HZ1 LYS B 401 146.036 240.861 234.875 1.00137.03 H +ATOM 14743 HZ2 LYS B 401 144.811 240.149 234.570 1.00137.03 H +ATOM 14744 HZ3 LYS B 401 145.113 240.520 235.938 1.00137.03 H +ATOM 14745 N TYR B 402 142.428 233.289 234.454 1.00 64.33 N +ATOM 14746 CA TYR B 402 141.938 231.988 234.899 1.00 52.93 C +ATOM 14747 C TYR B 402 143.027 231.205 235.621 1.00 55.83 C +ATOM 14748 O TYR B 402 144.126 231.042 235.095 1.00 65.95 O +ATOM 14749 CB TYR B 402 141.430 231.171 233.710 1.00 54.07 C +ATOM 14750 CG TYR B 402 140.362 231.858 232.897 1.00 58.07 C +ATOM 14751 CD1 TYR B 402 139.027 231.795 233.274 1.00 54.82 C +ATOM 14752 CD2 TYR B 402 140.685 232.563 231.747 1.00 56.69 C +ATOM 14753 CE1 TYR B 402 138.047 232.419 232.533 1.00 53.26 C +ATOM 14754 CE2 TYR B 402 139.712 233.190 230.999 1.00 62.03 C +ATOM 14755 CZ TYR B 402 138.397 233.113 231.398 1.00 60.68 C +ATOM 14756 OH TYR B 402 137.424 233.735 230.658 1.00 53.20 O +ATOM 14757 H TYR B 402 143.147 233.245 233.984 1.00 77.19 H +ATOM 14758 HA TYR B 402 141.199 232.119 235.514 1.00 63.52 H +ATOM 14759 HB2 TYR B 402 142.176 230.984 233.119 1.00 64.89 H +ATOM 14760 HB3 TYR B 402 141.059 230.338 234.041 1.00 64.89 H +ATOM 14761 HD1 TYR B 402 138.790 231.326 234.042 1.00 65.78 H +ATOM 14762 HD2 TYR B 402 141.574 232.615 231.477 1.00 68.03 H +ATOM 14763 HE1 TYR B 402 137.157 232.371 232.797 1.00 63.91 H +ATOM 14764 HE2 TYR B 402 139.942 233.661 230.231 1.00 74.44 H +ATOM 14765 HH TYR B 402 137.769 234.120 229.996 1.00 63.84 H +ATOM 14766 N ASN B 403 142.725 230.720 236.822 1.00 53.26 N +ATOM 14767 CA ASN B 403 143.628 229.792 237.492 1.00 57.37 C +ATOM 14768 C ASN B 403 143.455 228.413 236.865 1.00 64.63 C +ATOM 14769 O ASN B 403 142.648 228.241 235.953 1.00 53.61 O +ATOM 14770 CB ASN B 403 143.388 229.759 239.013 1.00 62.07 C +ATOM 14771 CG ASN B 403 141.988 229.288 239.400 1.00 55.69 C +ATOM 14772 OD1 ASN B 403 141.365 228.482 238.714 1.00 59.48 O +ATOM 14773 ND2 ASN B 403 141.500 229.785 240.529 1.00 57.59 N +ATOM 14774 H ASN B 403 142.013 230.910 237.265 1.00 63.92 H +ATOM 14775 HA ASN B 403 144.543 230.077 237.341 1.00 68.84 H +ATOM 14776 HB2 ASN B 403 144.027 229.153 239.418 1.00 74.48 H +ATOM 14777 HB3 ASN B 403 143.510 230.653 239.369 1.00 74.48 H +ATOM 14778 HD21 ASN B 403 140.716 229.555 240.797 1.00 69.11 H +ATOM 14779 HD22 ASN B 403 141.969 230.336 240.994 1.00 69.11 H +ATOM 14780 N TYR B 404 144.211 227.433 237.343 1.00 69.91 N +ATOM 14781 CA TYR B 404 144.159 226.099 236.762 1.00 70.58 C +ATOM 14782 C TYR B 404 142.829 225.410 237.039 1.00 70.13 C +ATOM 14783 O TYR B 404 142.313 224.685 236.191 1.00 54.94 O +ATOM 14784 CB TYR B 404 145.312 225.249 237.289 1.00 62.78 C +ATOM 14785 CG TYR B 404 146.622 225.560 236.609 1.00 73.23 C +ATOM 14786 CD1 TYR B 404 147.368 226.670 236.977 1.00 77.80 C +ATOM 14787 CD2 TYR B 404 147.103 224.754 235.589 1.00 64.54 C +ATOM 14788 CE1 TYR B 404 148.559 226.963 236.353 1.00 57.16 C +ATOM 14789 CE2 TYR B 404 148.293 225.039 234.960 1.00 55.66 C +ATOM 14790 CZ TYR B 404 149.016 226.145 235.346 1.00 65.33 C +ATOM 14791 OH TYR B 404 150.203 226.435 234.725 1.00 58.62 O +ATOM 14792 H TYR B 404 144.760 227.514 238.000 1.00 83.89 H +ATOM 14793 HA TYR B 404 144.260 226.172 235.800 1.00 84.70 H +ATOM 14794 HB2 TYR B 404 145.420 225.416 238.239 1.00 75.34 H +ATOM 14795 HB3 TYR B 404 145.110 224.312 237.138 1.00 75.34 H +ATOM 14796 HD1 TYR B 404 147.060 227.224 237.657 1.00 93.36 H +ATOM 14797 HD2 TYR B 404 146.614 224.007 235.327 1.00 77.45 H +ATOM 14798 HE1 TYR B 404 149.052 227.708 236.611 1.00 68.59 H +ATOM 14799 HE2 TYR B 404 148.607 224.489 234.279 1.00 66.79 H +ATOM 14800 HH TYR B 404 150.539 227.131 235.056 1.00 70.34 H +ATOM 14801 N GLN B 405 142.278 225.652 238.224 1.00 82.92 N +ATOM 14802 CA GLN B 405 141.042 225.003 238.643 1.00 70.82 C +ATOM 14803 C GLN B 405 139.895 225.277 237.671 1.00 64.04 C +ATOM 14804 O GLN B 405 139.050 224.413 237.442 1.00 67.56 O +ATOM 14805 CB GLN B 405 140.651 225.471 240.045 1.00 85.35 C +ATOM 14806 CG GLN B 405 139.691 224.539 240.760 1.00 96.65 C +ATOM 14807 CD GLN B 405 140.361 223.259 241.217 1.00103.78 C +ATOM 14808 OE1 GLN B 405 140.258 222.221 240.562 1.00104.43 O +ATOM 14809 NE2 GLN B 405 141.053 223.327 242.348 1.00106.85 N +ATOM 14810 H GLN B 405 142.604 226.193 238.808 1.00 99.50 H +ATOM 14811 HA GLN B 405 141.184 224.044 238.676 1.00 84.98 H +ATOM 14812 HB2 GLN B 405 141.453 225.541 240.586 1.00102.42 H +ATOM 14813 HB3 GLN B 405 140.225 226.340 239.976 1.00102.42 H +ATOM 14814 HG2 GLN B 405 139.335 224.989 241.542 1.00115.98 H +ATOM 14815 HG3 GLN B 405 138.970 224.302 240.156 1.00115.98 H +ATOM 14816 HE21 GLN B 405 141.102 224.070 242.779 1.00128.22 H +ATOM 14817 HE22 GLN B 405 141.452 222.628 242.651 1.00128.22 H +ATOM 14818 N GLN B 406 139.875 226.479 237.105 1.00 56.30 N +ATOM 14819 CA GLN B 406 138.766 226.917 236.262 1.00 57.51 C +ATOM 14820 C GLN B 406 139.110 226.931 234.776 1.00 55.14 C +ATOM 14821 O GLN B 406 138.225 227.074 233.933 1.00 49.85 O +ATOM 14822 CB GLN B 406 138.303 228.310 236.704 1.00 67.25 C +ATOM 14823 CG GLN B 406 139.361 229.410 236.572 1.00 61.42 C +ATOM 14824 CD GLN B 406 139.179 230.589 237.541 1.00 62.55 C +ATOM 14825 OE1 GLN B 406 139.818 231.620 237.372 1.00 63.99 O +ATOM 14826 NE2 GLN B 406 138.324 230.446 238.551 1.00 68.85 N +ATOM 14827 H GLN B 406 140.497 227.065 237.194 1.00 67.56 H +ATOM 14828 HA GLN B 406 138.023 226.307 236.385 1.00 69.01 H +ATOM 14829 HB2 GLN B 406 137.541 228.570 236.163 1.00 80.70 H +ATOM 14830 HB3 GLN B 406 138.040 228.267 237.637 1.00 80.70 H +ATOM 14831 HG2 GLN B 406 140.234 229.023 236.741 1.00 73.70 H +ATOM 14832 HG3 GLN B 406 139.330 229.764 235.669 1.00 73.70 H +ATOM 14833 HE21 GLN B 406 137.892 229.709 238.647 1.00 82.63 H +ATOM 14834 HE22 GLN B 406 138.204 231.091 239.108 1.00 82.63 H +ATOM 14835 N PHE B 407 140.391 226.773 234.455 1.00 61.84 N +ATOM 14836 CA PHE B 407 140.837 226.744 233.064 1.00 59.05 C +ATOM 14837 C PHE B 407 140.797 225.324 232.504 1.00 53.23 C +ATOM 14838 O PHE B 407 140.437 225.114 231.348 1.00 53.99 O +ATOM 14839 CB PHE B 407 142.252 227.318 232.942 1.00 69.06 C +ATOM 14840 CG PHE B 407 142.708 227.521 231.524 1.00 69.08 C +ATOM 14841 CD1 PHE B 407 142.143 228.511 230.737 1.00 53.81 C +ATOM 14842 CD2 PHE B 407 143.713 226.734 230.984 1.00 69.37 C +ATOM 14843 CE1 PHE B 407 142.564 228.705 229.435 1.00 54.02 C +ATOM 14844 CE2 PHE B 407 144.141 226.927 229.682 1.00 51.20 C +ATOM 14845 CZ PHE B 407 143.565 227.911 228.908 1.00 54.05 C +ATOM 14846 H PHE B 407 141.026 226.679 235.027 1.00 74.21 H +ATOM 14847 HA PHE B 407 140.242 227.294 232.530 1.00 70.86 H +ATOM 14848 HB2 PHE B 407 142.279 228.178 233.388 1.00 82.88 H +ATOM 14849 HB3 PHE B 407 142.873 226.707 233.368 1.00 82.88 H +ATOM 14850 HD1 PHE B 407 141.469 229.048 231.087 1.00 64.57 H +ATOM 14851 HD2 PHE B 407 144.104 226.069 231.503 1.00 83.24 H +ATOM 14852 HE1 PHE B 407 142.176 229.371 228.914 1.00 64.82 H +ATOM 14853 HE2 PHE B 407 144.813 226.390 229.329 1.00 61.44 H +ATOM 14854 HZ PHE B 407 143.850 228.041 228.032 1.00 64.86 H +ATOM 14855 N ILE B 408 141.158 224.353 233.335 1.00 53.47 N +ATOM 14856 CA ILE B 408 141.216 222.955 232.917 1.00 62.77 C +ATOM 14857 C ILE B 408 139.826 222.381 232.634 1.00 64.99 C +ATOM 14858 O ILE B 408 138.888 222.581 233.404 1.00 60.72 O +ATOM 14859 CB ILE B 408 141.946 222.100 233.989 1.00 53.02 C +ATOM 14860 CG1 ILE B 408 143.427 221.964 233.630 1.00 54.79 C +ATOM 14861 CG2 ILE B 408 141.345 220.701 234.118 1.00 59.02 C +ATOM 14862 CD1 ILE B 408 144.147 223.283 233.442 1.00 62.17 C +ATOM 14863 H ILE B 408 141.377 224.478 234.158 1.00 64.16 H +ATOM 14864 HA ILE B 408 141.730 222.899 232.096 1.00 75.32 H +ATOM 14865 HB ILE B 408 141.874 222.549 234.846 1.00 63.63 H +ATOM 14866 HG12 ILE B 408 143.876 221.481 234.341 1.00 65.75 H +ATOM 14867 HG13 ILE B 408 143.501 221.468 232.800 1.00 65.75 H +ATOM 14868 HG21 ILE B 408 141.833 220.209 234.797 1.00 70.83 H +ATOM 14869 HG22 ILE B 408 140.412 220.780 234.374 1.00 70.83 H +ATOM 14870 HG23 ILE B 408 141.417 220.246 233.264 1.00 70.83 H +ATOM 14871 HD11 ILE B 408 145.074 223.108 233.218 1.00 74.61 H +ATOM 14872 HD12 ILE B 408 143.720 223.777 232.724 1.00 74.61 H +ATOM 14873 HD13 ILE B 408 144.096 223.790 234.268 1.00 74.61 H +ATOM 14874 N TYR B 409 139.718 221.672 231.511 1.00 80.41 N +ATOM 14875 CA TYR B 409 138.489 220.988 231.100 1.00 71.83 C +ATOM 14876 C TYR B 409 137.303 221.938 230.890 1.00 52.96 C +ATOM 14877 O TYR B 409 136.159 221.497 230.838 1.00 66.17 O +ATOM 14878 CB TYR B 409 138.109 219.904 232.124 1.00 72.83 C +ATOM 14879 CG TYR B 409 138.930 218.637 232.017 1.00 63.13 C +ATOM 14880 CD1 TYR B 409 138.955 217.902 230.841 1.00 68.38 C +ATOM 14881 CD2 TYR B 409 139.662 218.166 233.097 1.00 65.67 C +ATOM 14882 CE1 TYR B 409 139.699 216.741 230.738 1.00 64.61 C +ATOM 14883 CE2 TYR B 409 140.410 217.007 233.004 1.00 68.36 C +ATOM 14884 CZ TYR B 409 140.424 216.299 231.822 1.00 66.62 C +ATOM 14885 OH TYR B 409 141.163 215.145 231.720 1.00 60.88 O +ATOM 14886 H TYR B 409 140.364 221.570 230.952 1.00 96.49 H +ATOM 14887 HA TYR B 409 138.656 220.542 230.255 1.00 86.19 H +ATOM 14888 HB2 TYR B 409 138.234 220.262 233.017 1.00 87.40 H +ATOM 14889 HB3 TYR B 409 137.178 219.665 231.994 1.00 87.40 H +ATOM 14890 HD1 TYR B 409 138.469 218.199 230.106 1.00 82.05 H +ATOM 14891 HD2 TYR B 409 139.656 218.643 233.895 1.00 78.80 H +ATOM 14892 HE1 TYR B 409 139.710 216.261 229.941 1.00 77.53 H +ATOM 14893 HE2 TYR B 409 140.899 216.706 233.736 1.00 82.03 H +ATOM 14894 HH TYR B 409 141.554 214.990 232.446 1.00 73.06 H +ATOM 14895 N ASN B 410 137.584 223.231 230.742 1.00 60.63 N +ATOM 14896 CA ASN B 410 136.537 224.227 230.521 1.00 73.55 C +ATOM 14897 C ASN B 410 136.521 224.725 229.076 1.00 61.83 C +ATOM 14898 O ASN B 410 137.220 225.677 228.731 1.00 62.82 O +ATOM 14899 CB ASN B 410 136.721 225.409 231.479 1.00 71.44 C +ATOM 14900 CG ASN B 410 135.500 226.313 231.538 1.00 95.41 C +ATOM 14901 OD1 ASN B 410 134.601 226.224 230.704 1.00119.29 O +ATOM 14902 ND2 ASN B 410 135.470 227.197 232.531 1.00 95.10 N +ATOM 14903 H ASN B 410 138.378 223.559 230.765 1.00 72.76 H +ATOM 14904 HA ASN B 410 135.675 223.823 230.707 1.00 88.26 H +ATOM 14905 HB2 ASN B 410 136.886 225.069 232.373 1.00 85.73 H +ATOM 14906 HB3 ASN B 410 137.475 225.942 231.183 1.00 85.73 H +ATOM 14907 HD21 ASN B 410 136.117 227.227 233.096 1.00114.12 H +ATOM 14908 N ASN B 411 135.710 224.089 228.236 1.00 65.13 N +ATOM 14909 CA ASN B 411 135.595 224.487 226.834 1.00 86.11 C +ATOM 14910 C ASN B 411 134.648 225.667 226.619 1.00 77.40 C +ATOM 14911 O ASN B 411 134.611 226.244 225.531 1.00 58.25 O +ATOM 14912 CB ASN B 411 135.132 223.302 225.985 1.00 76.02 C +ATOM 14913 CG ASN B 411 136.220 222.266 225.785 1.00 69.75 C +ATOM 14914 OD1 ASN B 411 137.397 222.602 225.646 1.00 62.25 O +ATOM 14915 ND2 ASN B 411 135.831 220.997 225.769 1.00 62.92 N +ATOM 14916 H ASN B 411 135.213 223.422 228.453 1.00 78.16 H +ATOM 14917 HA ASN B 411 136.472 224.753 226.516 1.00103.33 H +ATOM 14918 HB2 ASN B 411 134.383 222.870 226.426 1.00 91.23 H +ATOM 14919 HB3 ASN B 411 134.861 223.625 225.112 1.00 91.23 H +ATOM 14920 HD21 ASN B 411 136.410 220.371 225.659 1.00 75.51 H +ATOM 14921 HD22 ASN B 411 135.000 220.801 225.869 1.00 75.51 H +ATOM 14922 N SER B 412 133.884 226.026 227.644 1.00 75.52 N +ATOM 14923 CA SER B 412 132.998 227.177 227.540 1.00 72.27 C +ATOM 14924 C SER B 412 133.834 228.441 227.380 1.00 68.44 C +ATOM 14925 O SER B 412 133.410 229.399 226.736 1.00 56.56 O +ATOM 14926 CB SER B 412 132.089 227.285 228.763 1.00 68.34 C +ATOM 14927 OG SER B 412 132.542 228.297 229.641 1.00 71.38 O +ATOM 14928 H SER B 412 133.860 225.623 228.403 1.00 90.63 H +ATOM 14929 HA SER B 412 132.439 227.081 226.753 1.00 86.72 H +ATOM 14930 HB2 SER B 412 131.190 227.501 228.470 1.00 82.00 H +ATOM 14931 HB3 SER B 412 132.090 226.436 229.233 1.00 82.00 H +ATOM 14932 HG SER B 412 133.321 228.123 229.902 1.00 85.66 H +ATOM 14933 N ILE B 413 135.026 228.432 227.970 1.00 63.22 N +ATOM 14934 CA ILE B 413 135.973 229.529 227.809 1.00 58.75 C +ATOM 14935 C ILE B 413 136.280 229.737 226.331 1.00 55.40 C +ATOM 14936 O ILE B 413 136.360 230.870 225.854 1.00 44.92 O +ATOM 14937 CB ILE B 413 137.286 229.263 228.582 1.00 53.69 C +ATOM 14938 CG1 ILE B 413 137.012 229.258 230.088 1.00 47.40 C +ATOM 14939 CG2 ILE B 413 138.349 230.315 228.233 1.00 65.47 C +ATOM 14940 CD1 ILE B 413 138.228 228.955 230.947 1.00 51.44 C +ATOM 14941 H ILE B 413 135.312 227.796 228.472 1.00 75.87 H +ATOM 14942 HA ILE B 413 135.578 230.344 228.154 1.00 70.50 H +ATOM 14943 HB ILE B 413 137.622 228.390 228.327 1.00 64.43 H +ATOM 14944 HG12 ILE B 413 136.680 230.132 230.347 1.00 56.88 H +ATOM 14945 HG13 ILE B 413 136.342 228.583 230.279 1.00 56.88 H +ATOM 14946 HG21 ILE B 413 139.158 230.122 228.732 1.00 78.57 H +ATOM 14947 HG22 ILE B 413 138.530 230.277 227.281 1.00 78.57 H +ATOM 14948 HG23 ILE B 413 138.014 231.193 228.472 1.00 78.57 H +ATOM 14949 HD11 ILE B 413 137.967 228.972 231.881 1.00 61.73 H +ATOM 14950 HD12 ILE B 413 138.568 228.077 230.714 1.00 61.73 H +ATOM 14951 HD13 ILE B 413 138.907 229.628 230.781 1.00 61.73 H +ATOM 14952 N LEU B 414 136.451 228.634 225.612 1.00 57.80 N +ATOM 14953 CA LEU B 414 136.765 228.689 224.191 1.00 66.32 C +ATOM 14954 C LEU B 414 135.612 229.316 223.403 1.00 62.54 C +ATOM 14955 O LEU B 414 135.828 230.178 222.551 1.00 50.12 O +ATOM 14956 CB LEU B 414 137.073 227.285 223.666 1.00 63.30 C +ATOM 14957 CG LEU B 414 137.642 227.192 222.249 1.00 59.98 C +ATOM 14958 CD1 LEU B 414 139.004 227.859 222.172 1.00 46.57 C +ATOM 14959 CD2 LEU B 414 137.734 225.738 221.813 1.00 61.48 C +ATOM 14960 H LEU B 414 136.390 227.836 225.927 1.00 69.36 H +ATOM 14961 HA LEU B 414 137.553 229.239 224.061 1.00 79.59 H +ATOM 14962 HB2 LEU B 414 137.718 226.874 224.262 1.00 75.97 H +ATOM 14963 HB3 LEU B 414 136.251 226.770 223.679 1.00 75.97 H +ATOM 14964 HG LEU B 414 137.047 227.652 221.638 1.00 71.97 H +ATOM 14965 HD11 LEU B 414 139.341 227.785 221.266 1.00 55.88 H +ATOM 14966 HD12 LEU B 414 138.912 228.794 222.416 1.00 55.88 H +ATOM 14967 HD13 LEU B 414 139.609 227.415 222.787 1.00 55.88 H +ATOM 14968 HD21 LEU B 414 138.097 225.700 220.914 1.00 73.77 H +ATOM 14969 HD22 LEU B 414 138.316 225.261 222.425 1.00 73.77 H +ATOM 14970 HD23 LEU B 414 136.846 225.347 221.829 1.00 73.77 H +ATOM 14971 N LEU B 415 134.390 228.882 223.696 1.00 62.83 N +ATOM 14972 CA LEU B 415 133.207 229.425 223.036 1.00 66.63 C +ATOM 14973 C LEU B 415 132.971 230.873 223.442 1.00 58.27 C +ATOM 14974 O LEU B 415 132.565 231.699 222.626 1.00 50.08 O +ATOM 14975 CB LEU B 415 131.972 228.589 223.371 1.00 67.53 C +ATOM 14976 CG LEU B 415 131.975 227.126 222.925 1.00 56.97 C +ATOM 14977 CD1 LEU B 415 130.607 226.513 223.175 1.00 49.47 C +ATOM 14978 CD2 LEU B 415 132.368 226.989 221.461 1.00 54.54 C +ATOM 14979 H LEU B 415 134.218 228.271 224.276 1.00 75.39 H +ATOM 14980 HA LEU B 415 133.339 229.399 222.075 1.00 79.96 H +ATOM 14981 HB2 LEU B 415 131.859 228.593 224.334 1.00 81.03 H +ATOM 14982 HB3 LEU B 415 131.202 229.011 222.958 1.00 81.03 H +ATOM 14983 HG LEU B 415 132.623 226.636 223.455 1.00 68.37 H +ATOM 14984 HD11 LEU B 415 130.620 225.586 222.889 1.00 59.36 H +ATOM 14985 HD12 LEU B 415 130.407 226.564 224.122 1.00 59.36 H +ATOM 14986 HD13 LEU B 415 129.943 227.006 222.668 1.00 59.36 H +ATOM 14987 HD21 LEU B 415 132.357 226.050 221.218 1.00 65.44 H +ATOM 14988 HD22 LEU B 415 131.731 227.479 220.916 1.00 65.44 H +ATOM 14989 HD23 LEU B 415 133.258 227.353 221.338 1.00 65.44 H +ATOM 14990 N GLU B 416 133.225 231.160 224.712 1.00 55.07 N +ATOM 14991 CA GLU B 416 133.042 232.495 225.268 1.00 52.39 C +ATOM 14992 C GLU B 416 133.831 233.552 224.497 1.00 58.91 C +ATOM 14993 O GLU B 416 133.292 234.602 224.146 1.00 60.56 O +ATOM 14994 CB GLU B 416 133.458 232.491 226.742 1.00 59.11 C +ATOM 14995 CG GLU B 416 133.311 233.819 227.464 1.00 59.22 C +ATOM 14996 CD GLU B 416 133.624 233.705 228.948 1.00 72.45 C +ATOM 14997 OE1 GLU B 416 133.533 232.582 229.497 1.00 91.41 O +ATOM 14998 OE2 GLU B 416 133.966 234.735 229.566 1.00 75.09 O +ATOM 14999 H GLU B 416 133.511 230.586 225.285 1.00 66.08 H +ATOM 15000 HA GLU B 416 132.102 232.730 225.223 1.00 62.87 H +ATOM 15001 HB2 GLU B 416 132.914 231.841 227.213 1.00 70.93 H +ATOM 15002 HB3 GLU B 416 134.391 232.232 226.796 1.00 70.93 H +ATOM 15003 HG2 GLU B 416 133.925 234.462 227.075 1.00 71.07 H +ATOM 15004 HG3 GLU B 416 132.398 234.131 227.371 1.00 71.07 H +ATOM 15005 N HIS B 417 135.101 233.260 224.224 1.00 53.85 N +ATOM 15006 CA HIS B 417 135.997 234.223 223.588 1.00 43.00 C +ATOM 15007 C HIS B 417 136.178 233.981 222.092 1.00 45.82 C +ATOM 15008 O HIS B 417 136.400 234.922 221.331 1.00 46.14 O +ATOM 15009 CB HIS B 417 137.362 234.188 224.270 1.00 49.17 C +ATOM 15010 CG HIS B 417 137.317 234.544 225.720 1.00 49.98 C +ATOM 15011 ND1 HIS B 417 137.301 235.849 226.165 1.00 59.13 N +ATOM 15012 CD2 HIS B 417 137.286 233.767 226.829 1.00 50.77 C +ATOM 15013 CE1 HIS B 417 137.263 235.860 227.485 1.00 58.09 C +ATOM 15014 NE2 HIS B 417 137.251 234.610 227.912 1.00 50.14 N +ATOM 15015 H HIS B 417 135.471 232.504 224.399 1.00 64.62 H +ATOM 15016 HA HIS B 417 135.630 235.114 223.702 1.00 51.60 H +ATOM 15017 HB2 HIS B 417 137.727 233.292 224.195 1.00 59.00 H +ATOM 15018 HB3 HIS B 417 137.949 234.820 223.827 1.00 59.00 H +ATOM 15019 HD1 HIS B 417 137.315 236.546 225.662 1.00 70.95 H +ATOM 15020 HD2 HIS B 417 137.287 232.838 226.852 1.00 60.93 H +ATOM 15021 HE1 HIS B 417 137.244 236.619 228.023 1.00 69.70 H +ATOM 15022 N GLY B 418 136.095 232.721 221.676 1.00 50.24 N +ATOM 15023 CA GLY B 418 136.312 232.364 220.285 1.00 44.06 C +ATOM 15024 C GLY B 418 137.791 232.218 219.978 1.00 43.01 C +ATOM 15025 O GLY B 418 138.635 232.680 220.744 1.00 45.08 O +ATOM 15026 H GLY B 418 135.912 232.053 222.185 1.00 60.29 H +ATOM 15027 HA2 GLY B 418 135.870 231.523 220.091 1.00 52.87 H +ATOM 15028 HA3 GLY B 418 135.941 233.051 219.710 1.00 52.87 H +ATOM 15029 N ILE B 419 138.103 231.580 218.854 1.00 44.95 N +ATOM 15030 CA ILE B 419 139.487 231.287 218.498 1.00 52.24 C +ATOM 15031 C ILE B 419 140.309 232.557 218.301 1.00 44.25 C +ATOM 15032 O ILE B 419 141.456 232.623 218.736 1.00 45.85 O +ATOM 15033 CB ILE B 419 139.568 230.432 217.211 1.00 46.57 C +ATOM 15034 CG1 ILE B 419 138.860 229.087 217.409 1.00 45.66 C +ATOM 15035 CG2 ILE B 419 141.025 230.204 216.789 1.00 44.10 C +ATOM 15036 CD1 ILE B 419 139.491 228.190 218.454 1.00 36.35 C +ATOM 15037 H ILE B 419 137.528 231.305 218.277 1.00 53.95 H +ATOM 15038 HA ILE B 419 139.894 230.779 219.217 1.00 62.69 H +ATOM 15039 HB ILE B 419 139.116 230.911 216.498 1.00 55.88 H +ATOM 15040 HG12 ILE B 419 137.945 229.256 217.681 1.00 54.79 H +ATOM 15041 HG13 ILE B 419 138.867 228.606 216.567 1.00 54.79 H +ATOM 15042 HG21 ILE B 419 141.039 229.666 215.982 1.00 52.92 H +ATOM 15043 HG22 ILE B 419 141.443 231.063 216.622 1.00 52.92 H +ATOM 15044 HG23 ILE B 419 141.491 229.742 217.503 1.00 52.92 H +ATOM 15045 HD11 ILE B 419 138.981 227.367 218.512 1.00 43.63 H +ATOM 15046 HD12 ILE B 419 140.404 227.996 218.194 1.00 43.63 H +ATOM 15047 HD13 ILE B 419 139.480 228.647 219.310 1.00 43.63 H +ATOM 15048 N THR B 420 139.727 233.554 217.643 1.00 45.21 N +ATOM 15049 CA THR B 420 140.439 234.796 217.351 1.00 46.77 C +ATOM 15050 C THR B 420 141.018 235.424 218.612 1.00 45.48 C +ATOM 15051 O THR B 420 142.197 235.773 218.654 1.00 48.77 O +ATOM 15052 CB THR B 420 139.520 235.825 216.665 1.00 47.54 C +ATOM 15053 OG1 THR B 420 139.017 235.274 215.444 1.00 42.44 O +ATOM 15054 CG2 THR B 420 140.278 237.114 216.354 1.00 44.68 C +ATOM 15055 H THR B 420 138.918 233.537 217.352 1.00 54.26 H +ATOM 15056 HA THR B 420 141.174 234.603 216.749 1.00 56.13 H +ATOM 15057 HB THR B 420 138.779 236.039 217.252 1.00 57.04 H +ATOM 15058 HG1 THR B 420 139.654 235.085 214.930 1.00 50.93 H +ATOM 15059 HG21 THR B 420 139.686 237.750 215.923 1.00 53.62 H +ATOM 15060 HG22 THR B 420 140.617 237.505 217.174 1.00 53.62 H +ATOM 15061 HG23 THR B 420 141.024 236.926 215.763 1.00 53.62 H +ATOM 15062 N GLN B 421 140.187 235.559 219.638 1.00 46.60 N +ATOM 15063 CA GLN B 421 140.613 236.171 220.888 1.00 51.51 C +ATOM 15064 C GLN B 421 141.691 235.333 221.576 1.00 46.48 C +ATOM 15065 O GLN B 421 142.589 235.873 222.221 1.00 57.35 O +ATOM 15066 CB GLN B 421 139.415 236.359 221.819 1.00 48.70 C +ATOM 15067 CG GLN B 421 139.721 237.159 223.073 1.00 61.93 C +ATOM 15068 CD GLN B 421 140.261 238.542 222.763 1.00 90.32 C +ATOM 15069 OE1 GLN B 421 141.465 238.787 222.857 1.00 71.70 O +ATOM 15070 NE2 GLN B 421 139.372 239.455 222.390 1.00 99.45 N +ATOM 15071 H GLN B 421 139.366 235.303 219.635 1.00 55.92 H +ATOM 15072 HA GLN B 421 140.988 237.046 220.700 1.00 61.82 H +ATOM 15073 HB2 GLN B 421 138.715 236.825 221.335 1.00 58.43 H +ATOM 15074 HB3 GLN B 421 139.095 235.486 222.096 1.00 58.43 H +ATOM 15075 HG2 GLN B 421 138.906 237.263 223.589 1.00 74.31 H +ATOM 15076 HG3 GLN B 421 140.387 236.686 223.595 1.00 74.31 H +ATOM 15077 HE21 GLN B 421 138.540 239.247 222.334 1.00119.34 H +ATOM 15078 HE22 GLN B 421 139.629 240.254 222.203 1.00119.34 H +ATOM 15079 N PHE B 422 141.596 234.015 221.436 1.00 51.81 N +ATOM 15080 CA PHE B 422 142.586 233.108 222.009 1.00 47.76 C +ATOM 15081 C PHE B 422 143.967 233.343 221.407 1.00 40.52 C +ATOM 15082 O PHE B 422 144.959 233.447 222.127 1.00 32.01 O +ATOM 15083 CB PHE B 422 142.169 231.654 221.788 1.00 50.24 C +ATOM 15084 CG PHE B 422 141.552 231.008 222.992 1.00 54.08 C +ATOM 15085 CD1 PHE B 422 140.358 231.477 223.511 1.00 52.82 C +ATOM 15086 CD2 PHE B 422 142.161 229.924 223.598 1.00 43.08 C +ATOM 15087 CE1 PHE B 422 139.790 230.880 224.617 1.00 52.61 C +ATOM 15088 CE2 PHE B 422 141.596 229.325 224.703 1.00 53.72 C +ATOM 15089 CZ PHE B 422 140.409 229.803 225.213 1.00 58.19 C +ATOM 15090 H PHE B 422 140.963 233.618 221.010 1.00 62.17 H +ATOM 15091 HA PHE B 422 142.644 233.263 222.964 1.00 57.31 H +ATOM 15092 HB2 PHE B 422 141.519 231.621 221.069 1.00 60.29 H +ATOM 15093 HB3 PHE B 422 142.953 231.137 221.544 1.00 60.29 H +ATOM 15094 HD1 PHE B 422 139.937 232.204 223.112 1.00 63.38 H +ATOM 15095 HD2 PHE B 422 142.963 229.598 223.258 1.00 51.69 H +ATOM 15096 HE1 PHE B 422 138.988 231.204 224.960 1.00 63.14 H +ATOM 15097 HE2 PHE B 422 142.015 228.598 225.104 1.00 64.46 H +ATOM 15098 HZ PHE B 422 140.027 229.399 225.959 1.00 69.82 H +ATOM 15099 N VAL B 423 144.019 233.420 220.081 1.00 39.06 N +ATOM 15100 CA VAL B 423 145.270 233.629 219.361 1.00 43.63 C +ATOM 15101 C VAL B 423 145.893 234.976 219.721 1.00 52.74 C +ATOM 15102 O VAL B 423 147.098 235.065 219.951 1.00 59.00 O +ATOM 15103 CB VAL B 423 145.048 233.548 217.835 1.00 41.18 C +ATOM 15104 CG1 VAL B 423 146.325 233.888 217.071 1.00 51.94 C +ATOM 15105 CG2 VAL B 423 144.553 232.161 217.448 1.00 37.52 C +ATOM 15106 H VAL B 423 143.332 233.353 219.569 1.00 46.87 H +ATOM 15107 HA VAL B 423 145.897 232.932 219.610 1.00 52.36 H +ATOM 15108 HB VAL B 423 144.367 234.190 217.581 1.00 49.41 H +ATOM 15109 HG11 VAL B 423 146.148 233.827 216.119 1.00 62.33 H +ATOM 15110 HG12 VAL B 423 146.598 234.790 217.300 1.00 62.33 H +ATOM 15111 HG13 VAL B 423 147.019 233.258 217.320 1.00 62.33 H +ATOM 15112 HG21 VAL B 423 144.420 232.130 216.488 1.00 45.02 H +ATOM 15113 HG22 VAL B 423 145.217 231.505 217.712 1.00 45.02 H +ATOM 15114 HG23 VAL B 423 143.715 231.987 217.905 1.00 45.02 H +ATOM 15115 N GLU B 424 145.072 236.020 219.768 1.00 51.71 N +ATOM 15116 CA GLU B 424 145.554 237.354 220.110 1.00 56.22 C +ATOM 15117 C GLU B 424 146.107 237.380 221.530 1.00 51.91 C +ATOM 15118 O GLU B 424 147.147 237.985 221.795 1.00 48.60 O +ATOM 15119 CB GLU B 424 144.435 238.388 219.963 1.00 51.61 C +ATOM 15120 CG GLU B 424 144.011 238.634 218.525 1.00 69.14 C +ATOM 15121 CD GLU B 424 142.858 239.613 218.407 1.00 72.34 C +ATOM 15122 OE1 GLU B 424 142.006 239.651 219.321 1.00 49.59 O +ATOM 15123 OE2 GLU B 424 142.808 240.346 217.398 1.00 51.81 O +ATOM 15124 H GLU B 424 144.228 235.983 219.606 1.00 62.05 H +ATOM 15125 HA GLU B 424 146.271 237.597 219.503 1.00 67.46 H +ATOM 15126 HB2 GLU B 424 143.657 238.078 220.452 1.00 61.93 H +ATOM 15127 HB3 GLU B 424 144.740 239.233 220.331 1.00 61.93 H +ATOM 15128 HG2 GLU B 424 144.764 238.997 218.032 1.00 82.97 H +ATOM 15129 HG3 GLU B 424 143.732 237.793 218.130 1.00 82.97 H +ATOM 15130 N SER B 425 145.403 236.714 222.437 1.00 43.05 N +ATOM 15131 CA SER B 425 145.812 236.657 223.831 1.00 55.70 C +ATOM 15132 C SER B 425 147.101 235.859 224.007 1.00 57.66 C +ATOM 15133 O SER B 425 148.082 236.363 224.552 1.00 56.53 O +ATOM 15134 CB SER B 425 144.702 236.042 224.682 1.00 61.64 C +ATOM 15135 OG SER B 425 143.543 236.856 224.677 1.00 71.83 O +ATOM 15136 H SER B 425 144.678 236.284 222.267 1.00 51.66 H +ATOM 15137 HA SER B 425 145.971 237.559 224.151 1.00 66.83 H +ATOM 15138 HB2 SER B 425 144.476 235.171 224.323 1.00 73.97 H +ATOM 15139 HB3 SER B 425 145.019 235.952 225.595 1.00 73.97 H +ATOM 15140 HG SER B 425 143.256 236.943 223.893 1.00 86.20 H +ATOM 15141 N PHE B 426 147.090 234.612 223.546 1.00 53.09 N +ATOM 15142 CA PHE B 426 148.232 233.717 223.712 1.00 52.71 C +ATOM 15143 C PHE B 426 149.486 234.244 223.031 1.00 43.37 C +ATOM 15144 O PHE B 426 150.590 234.034 223.523 1.00 38.87 O +ATOM 15145 CB PHE B 426 147.909 232.323 223.165 1.00 51.67 C +ATOM 15146 CG PHE B 426 146.952 231.530 224.015 1.00 46.88 C +ATOM 15147 CD1 PHE B 426 146.654 231.915 225.313 1.00 45.81 C +ATOM 15148 CD2 PHE B 426 146.357 230.387 223.512 1.00 48.87 C +ATOM 15149 CE1 PHE B 426 145.784 231.178 226.083 1.00 47.59 C +ATOM 15150 CE2 PHE B 426 145.483 229.648 224.281 1.00 50.14 C +ATOM 15151 CZ PHE B 426 145.195 230.044 225.567 1.00 47.35 C +ATOM 15152 H PHE B 426 146.427 234.256 223.129 1.00 63.71 H +ATOM 15153 HA PHE B 426 148.424 233.628 224.658 1.00 63.25 H +ATOM 15154 HB2 PHE B 426 147.513 232.418 222.285 1.00 62.00 H +ATOM 15155 HB3 PHE B 426 148.734 231.816 223.100 1.00 62.00 H +ATOM 15156 HD1 PHE B 426 147.047 232.679 225.668 1.00 54.98 H +ATOM 15157 HD2 PHE B 426 146.548 230.115 222.643 1.00 58.65 H +ATOM 15158 HE1 PHE B 426 145.590 231.448 226.952 1.00 57.10 H +ATOM 15159 HE2 PHE B 426 145.087 228.882 223.931 1.00 60.17 H +ATOM 15160 HZ PHE B 426 144.606 229.547 226.087 1.00 56.81 H +ATOM 15161 N THR B 427 149.319 234.919 221.901 1.00 43.11 N +ATOM 15162 CA THR B 427 150.454 235.493 221.196 1.00 42.57 C +ATOM 15163 C THR B 427 151.154 236.528 222.077 1.00 45.05 C +ATOM 15164 O THR B 427 152.355 236.748 221.955 1.00 50.56 O +ATOM 15165 CB THR B 427 150.023 236.144 219.866 1.00 44.97 C +ATOM 15166 OG1 THR B 427 149.415 235.155 219.026 1.00 44.55 O +ATOM 15167 CG2 THR B 427 151.219 236.751 219.132 1.00 45.24 C +ATOM 15168 H THR B 427 148.559 235.058 221.523 1.00 51.74 H +ATOM 15169 HA THR B 427 151.091 234.789 220.995 1.00 51.08 H +ATOM 15170 HB THR B 427 149.384 236.851 220.045 1.00 53.97 H +ATOM 15171 HG1 THR B 427 148.741 234.831 219.406 1.00 53.46 H +ATOM 15172 HG21 THR B 427 150.927 237.154 218.299 1.00 54.29 H +ATOM 15173 HG22 THR B 427 151.636 237.431 219.683 1.00 54.29 H +ATOM 15174 HG23 THR B 427 151.872 236.060 218.935 1.00 54.29 H +ATOM 15175 N ARG B 428 150.397 237.144 222.980 1.00 50.75 N +ATOM 15176 CA ARG B 428 150.925 238.201 223.838 1.00 52.47 C +ATOM 15177 C ARG B 428 151.465 237.692 225.176 1.00 43.20 C +ATOM 15178 O ARG B 428 152.276 238.365 225.808 1.00 48.37 O +ATOM 15179 CB ARG B 428 149.845 239.253 224.105 1.00 63.94 C +ATOM 15180 CG ARG B 428 149.650 240.251 222.973 1.00 66.66 C +ATOM 15181 CD ARG B 428 148.792 241.422 223.413 1.00 80.98 C +ATOM 15182 NE ARG B 428 147.476 240.991 223.889 1.00 97.91 N +ATOM 15183 CZ ARG B 428 146.971 241.235 225.097 1.00112.37 C +ATOM 15184 NH1 ARG B 428 147.653 241.928 226.002 1.00116.36 N +ATOM 15185 NH2 ARG B 428 145.762 240.786 225.405 1.00117.03 N +ATOM 15186 H ARG B 428 149.566 236.967 223.116 1.00 60.90 H +ATOM 15187 HA ARG B 428 151.655 238.639 223.375 1.00 62.97 H +ATOM 15188 HB2 ARG B 428 148.999 238.800 224.248 1.00 76.73 H +ATOM 15189 HB3 ARG B 428 150.088 239.752 224.900 1.00 76.73 H +ATOM 15190 HG2 ARG B 428 150.514 240.593 222.695 1.00 79.99 H +ATOM 15191 HG3 ARG B 428 149.208 239.811 222.230 1.00 79.99 H +ATOM 15192 HD2 ARG B 428 149.238 241.888 224.138 1.00 97.18 H +ATOM 15193 HD3 ARG B 428 148.661 242.021 222.661 1.00 97.18 H +ATOM 15194 HE ARG B 428 146.987 240.541 223.342 1.00117.49 H +ATOM 15195 HH11 ARG B 428 148.438 242.225 225.814 1.00139.64 H +ATOM 15196 HH12 ARG B 428 147.311 242.078 226.776 1.00139.64 H +ATOM 15197 HH21 ARG B 428 145.310 240.338 224.827 1.00140.44 H +ATOM 15198 HH22 ARG B 428 145.430 240.943 226.182 1.00140.44 H +ATOM 15199 N GLN B 429 151.023 236.515 225.609 1.00 42.13 N +ATOM 15200 CA GLN B 429 151.392 236.020 226.935 1.00 39.18 C +ATOM 15201 C GLN B 429 152.695 235.228 226.927 1.00 42.26 C +ATOM 15202 O GLN B 429 152.844 234.275 226.170 1.00 43.66 O +ATOM 15203 CB GLN B 429 150.280 235.150 227.515 1.00 40.39 C +ATOM 15204 CG GLN B 429 150.623 234.611 228.895 1.00 40.48 C +ATOM 15205 CD GLN B 429 149.420 234.096 229.653 1.00 43.94 C +ATOM 15206 OE1 GLN B 429 148.322 233.984 229.106 1.00 44.94 O +ATOM 15207 NE2 GLN B 429 149.621 233.779 230.926 1.00 40.49 N +ATOM 15208 H GLN B 429 150.513 235.987 225.161 1.00 50.55 H +ATOM 15209 HA GLN B 429 151.513 236.779 227.527 1.00 47.02 H +ATOM 15210 HB2 GLN B 429 149.471 235.679 227.592 1.00 48.46 H +ATOM 15211 HB3 GLN B 429 150.130 234.394 226.926 1.00 48.46 H +ATOM 15212 HG2 GLN B 429 151.251 233.878 228.799 1.00 48.58 H +ATOM 15213 HG3 GLN B 429 151.024 235.323 229.419 1.00 48.58 H +ATOM 15214 HE21 GLN B 429 150.401 233.872 231.274 1.00 48.59 H +ATOM 15215 HE22 GLN B 429 148.970 233.482 231.403 1.00 48.59 H +ATOM 15216 N ILE B 430 153.620 235.622 227.797 1.00 49.15 N +ATOM 15217 CA ILE B 430 154.934 234.995 227.884 1.00 46.75 C +ATOM 15218 C ILE B 430 154.855 233.636 228.575 1.00 50.85 C +ATOM 15219 O ILE B 430 154.050 233.440 229.485 1.00 44.61 O +ATOM 15220 CB ILE B 430 155.935 235.903 228.649 1.00 43.87 C +ATOM 15221 CG1 ILE B 430 157.376 235.433 228.445 1.00 48.74 C +ATOM 15222 CG2 ILE B 430 155.596 235.968 230.135 1.00 38.70 C +ATOM 15223 CD1 ILE B 430 158.096 236.154 227.341 1.00 48.03 C +ATOM 15224 H ILE B 430 153.508 236.265 228.357 1.00 58.98 H +ATOM 15225 HA ILE B 430 155.279 234.856 226.988 1.00 56.10 H +ATOM 15226 HB ILE B 430 155.860 236.800 228.287 1.00 52.65 H +ATOM 15227 HG12 ILE B 430 157.871 235.578 229.267 1.00 58.49 H +ATOM 15228 HG13 ILE B 430 157.369 234.488 228.228 1.00 58.49 H +ATOM 15229 HG21 ILE B 430 156.239 236.542 230.580 1.00 46.44 H +ATOM 15230 HG22 ILE B 430 154.702 236.329 230.239 1.00 46.44 H +ATOM 15231 HG23 ILE B 430 155.637 235.073 230.507 1.00 46.44 H +ATOM 15232 HD11 ILE B 430 158.998 235.804 227.272 1.00 57.63 H +ATOM 15233 HD12 ILE B 430 157.620 236.010 226.508 1.00 57.63 H +ATOM 15234 HD13 ILE B 430 158.123 237.101 227.548 1.00 57.63 H +ATOM 15235 N ALA B 431 155.693 232.702 228.131 1.00 42.42 N +ATOM 15236 CA ALA B 431 155.831 231.405 228.783 1.00 44.98 C +ATOM 15237 C ALA B 431 157.025 231.426 229.727 1.00 39.46 C +ATOM 15238 O ALA B 431 157.795 232.385 229.741 1.00 39.73 O +ATOM 15239 CB ALA B 431 155.985 230.303 227.754 1.00 46.08 C +ATOM 15240 H ALA B 431 156.200 232.799 227.443 1.00 50.90 H +ATOM 15241 HA ALA B 431 155.034 231.224 229.305 1.00 53.98 H +ATOM 15242 HB1 ALA B 431 156.075 229.453 228.213 1.00 55.29 H +ATOM 15243 HB2 ALA B 431 155.200 230.290 227.184 1.00 55.29 H +ATOM 15244 HB3 ALA B 431 156.778 230.477 227.222 1.00 55.29 H +ATOM 15245 N GLY B 432 157.177 230.364 230.512 1.00 38.55 N +ATOM 15246 CA GLY B 432 158.254 230.277 231.482 1.00 41.84 C +ATOM 15247 C GLY B 432 159.508 229.634 230.918 1.00 42.84 C +ATOM 15248 O GLY B 432 159.461 228.960 229.891 1.00 31.23 O +ATOM 15249 H GLY B 432 156.662 229.675 230.500 1.00 46.26 H +ATOM 15250 HA2 GLY B 432 158.481 231.169 231.790 1.00 50.21 H +ATOM 15251 HA3 GLY B 432 157.959 229.755 232.244 1.00 50.21 H +ATOM 15252 N ARG B 433 160.630 229.848 231.599 1.00 35.86 N +ATOM 15253 CA ARG B 433 161.903 229.253 231.209 1.00 39.45 C +ATOM 15254 C ARG B 433 161.953 227.787 231.633 1.00 42.79 C +ATOM 15255 O ARG B 433 161.654 227.458 232.779 1.00 34.98 O +ATOM 15256 CB ARG B 433 163.066 230.026 231.832 1.00 38.95 C +ATOM 15257 CG ARG B 433 164.421 229.691 231.245 1.00 46.27 C +ATOM 15258 CD ARG B 433 165.528 230.455 231.947 1.00 44.44 C +ATOM 15259 NE ARG B 433 166.602 230.818 231.028 1.00 56.48 N +ATOM 15260 CZ ARG B 433 167.653 231.564 231.358 1.00 59.06 C +ATOM 15261 NH1 ARG B 433 167.782 232.029 232.594 1.00 67.91 N +ATOM 15262 NH2 ARG B 433 168.576 231.844 230.449 1.00 39.01 N +ATOM 15263 H ARG B 433 160.680 230.343 232.301 1.00 43.03 H +ATOM 15264 HA ARG B 433 161.994 229.294 230.244 1.00 47.34 H +ATOM 15265 HB2 ARG B 433 162.914 230.975 231.701 1.00 46.74 H +ATOM 15266 HB3 ARG B 433 163.098 229.828 232.781 1.00 46.74 H +ATOM 15267 HG2 ARG B 433 164.591 228.742 231.352 1.00 55.53 H +ATOM 15268 HG3 ARG B 433 164.433 229.931 230.306 1.00 55.53 H +ATOM 15269 HD2 ARG B 433 165.164 231.270 232.324 1.00 53.33 H +ATOM 15270 HD3 ARG B 433 165.905 229.900 232.648 1.00 53.33 H +ATOM 15271 HE ARG B 433 166.552 230.531 230.219 1.00 67.78 H +ATOM 15272 HH11 ARG B 433 167.184 231.850 233.185 1.00 81.49 H +ATOM 15273 HH12 ARG B 433 168.463 232.510 232.803 1.00 81.49 H +ATOM 15274 HH21 ARG B 433 168.496 231.544 229.648 1.00 46.81 H +ATOM 15275 HH22 ARG B 433 169.257 232.325 230.662 1.00 46.81 H +ATOM 15276 N VAL B 434 162.337 226.910 230.710 1.00 43.45 N +ATOM 15277 CA VAL B 434 162.316 225.473 230.968 1.00 46.99 C +ATOM 15278 C VAL B 434 163.516 225.037 231.806 1.00 35.86 C +ATOM 15279 O VAL B 434 163.351 224.397 232.843 1.00 40.64 O +ATOM 15280 CB VAL B 434 162.274 224.677 229.653 1.00 38.83 C +ATOM 15281 CG1 VAL B 434 162.445 223.174 229.907 1.00 37.20 C +ATOM 15282 CG2 VAL B 434 160.959 224.940 228.938 1.00 35.43 C +ATOM 15283 H VAL B 434 162.614 227.122 229.924 1.00 52.14 H +ATOM 15284 HA VAL B 434 161.513 225.259 231.469 1.00 56.39 H +ATOM 15285 HB VAL B 434 162.997 224.972 229.077 1.00 46.60 H +ATOM 15286 HG11 VAL B 434 162.413 222.705 229.059 1.00 44.64 H +ATOM 15287 HG12 VAL B 434 163.301 223.022 230.338 1.00 44.64 H +ATOM 15288 HG13 VAL B 434 161.726 222.868 230.482 1.00 44.64 H +ATOM 15289 HG21 VAL B 434 160.943 224.434 228.111 1.00 42.52 H +ATOM 15290 HG22 VAL B 434 160.227 224.662 229.511 1.00 42.52 H +ATOM 15291 HG23 VAL B 434 160.888 225.889 228.747 1.00 42.52 H +ATOM 15292 N ALA B 435 164.719 225.374 231.355 1.00 36.76 N +ATOM 15293 CA ALA B 435 165.924 225.077 232.118 1.00 39.02 C +ATOM 15294 C ALA B 435 166.153 226.159 233.167 1.00 44.21 C +ATOM 15295 O ALA B 435 165.498 227.198 233.143 1.00 45.30 O +ATOM 15296 CB ALA B 435 167.124 224.966 231.200 1.00 47.81 C +ATOM 15297 H ALA B 435 164.864 225.776 230.609 1.00 44.11 H +ATOM 15298 HA ALA B 435 165.812 224.229 232.576 1.00 46.83 H +ATOM 15299 HB1 ALA B 435 167.910 224.768 231.732 1.00 57.37 H +ATOM 15300 HB2 ALA B 435 166.967 224.252 230.562 1.00 57.37 H +ATOM 15301 HB3 ALA B 435 167.242 225.808 230.733 1.00 57.37 H +ATOM 15302 N GLY B 436 167.080 225.908 234.086 1.00 39.21 N +ATOM 15303 CA GLY B 436 167.459 226.894 235.081 1.00 43.45 C +ATOM 15304 C GLY B 436 166.932 226.585 236.469 1.00 42.72 C +ATOM 15305 O GLY B 436 167.308 227.243 237.439 1.00 46.15 O +ATOM 15306 H GLY B 436 167.507 225.165 234.151 1.00 47.05 H +ATOM 15307 HA2 GLY B 436 168.426 226.945 235.128 1.00 52.14 H +ATOM 15308 HA3 GLY B 436 167.121 227.763 234.815 1.00 52.14 H +ATOM 15309 N GLY B 437 166.051 225.593 236.564 1.00 46.84 N +ATOM 15310 CA GLY B 437 165.572 225.114 237.848 1.00 44.90 C +ATOM 15311 C GLY B 437 164.444 225.927 238.450 1.00 40.62 C +ATOM 15312 O GLY B 437 164.233 227.087 238.095 1.00 37.91 O +ATOM 15313 H GLY B 437 165.714 225.180 235.889 1.00 56.21 H +ATOM 15314 HA2 GLY B 437 165.263 224.201 237.747 1.00 53.88 H +ATOM 15315 HA3 GLY B 437 166.310 225.114 238.478 1.00 53.88 H +ATOM 15316 N ARG B 438 163.711 225.291 239.361 1.00 41.96 N +ATOM 15317 CA ARG B 438 162.694 225.950 240.179 1.00 41.78 C +ATOM 15318 C ARG B 438 161.726 226.813 239.374 1.00 39.14 C +ATOM 15319 O ARG B 438 161.601 228.011 239.622 1.00 43.14 O +ATOM 15320 CB ARG B 438 163.375 226.801 241.255 1.00 38.76 C +ATOM 15321 CG ARG B 438 164.073 225.972 242.309 1.00 46.88 C +ATOM 15322 CD ARG B 438 165.047 226.789 243.125 1.00 43.70 C +ATOM 15323 NE ARG B 438 165.599 226.007 244.226 1.00 50.21 N +ATOM 15324 CZ ARG B 438 166.646 226.373 244.956 1.00 67.54 C +ATOM 15325 NH1 ARG B 438 167.271 227.516 244.702 1.00 94.84 N +ATOM 15326 NH2 ARG B 438 167.073 225.592 245.938 1.00 63.31 N +ATOM 15327 H ARG B 438 163.787 224.451 239.529 1.00 50.35 H +ATOM 15328 HA ARG B 438 162.172 225.269 240.630 1.00 50.14 H +ATOM 15329 HB2 ARG B 438 164.038 227.369 240.834 1.00 46.51 H +ATOM 15330 HB3 ARG B 438 162.705 227.345 241.697 1.00 46.51 H +ATOM 15331 HG2 ARG B 438 163.410 225.602 242.912 1.00 56.26 H +ATOM 15332 HG3 ARG B 438 164.566 225.258 241.876 1.00 56.26 H +ATOM 15333 HD2 ARG B 438 165.780 227.076 242.557 1.00 52.44 H +ATOM 15334 HD3 ARG B 438 164.588 227.558 243.497 1.00 52.44 H +ATOM 15335 HE ARG B 438 165.221 225.258 244.416 1.00 60.26 H +ATOM 15336 HH11 ARG B 438 166.996 228.024 244.065 1.00113.81 H +ATOM 15337 HH12 ARG B 438 167.949 227.749 245.176 1.00113.81 H +ATOM 15338 HH21 ARG B 438 166.670 224.851 246.103 1.00 75.97 H +ATOM 15339 HH22 ARG B 438 167.752 225.828 246.410 1.00 75.97 H +ATOM 15340 N ASN B 439 161.042 226.201 238.414 1.00 34.77 N +ATOM 15341 CA ASN B 439 160.067 226.928 237.615 1.00 40.57 C +ATOM 15342 C ASN B 439 158.893 226.060 237.179 1.00 34.60 C +ATOM 15343 O ASN B 439 158.187 226.404 236.233 1.00 33.48 O +ATOM 15344 CB ASN B 439 160.745 227.538 236.385 1.00 39.10 C +ATOM 15345 CG ASN B 439 160.034 228.783 235.884 1.00 42.58 C +ATOM 15346 OD1 ASN B 439 159.507 229.572 236.671 1.00 43.75 O +ATOM 15347 ND2 ASN B 439 160.010 228.961 234.570 1.00 36.50 N +ATOM 15348 H ASN B 439 161.124 225.370 238.208 1.00 41.72 H +ATOM 15349 HA ASN B 439 159.712 227.658 238.147 1.00 48.68 H +ATOM 15350 HB2 ASN B 439 161.655 227.783 236.614 1.00 46.92 H +ATOM 15351 HB3 ASN B 439 160.746 226.884 235.668 1.00 46.92 H +ATOM 15352 HD21 ASN B 439 159.619 229.652 234.237 1.00 43.81 H +ATOM 15353 HD22 ASN B 439 160.384 228.387 234.051 1.00 43.81 H +ATOM 15354 N VAL B 440 158.673 224.950 237.880 1.00 33.71 N +ATOM 15355 CA VAL B 440 157.502 224.112 237.629 1.00 45.68 C +ATOM 15356 C VAL B 440 156.325 224.623 238.461 1.00 34.49 C +ATOM 15357 O VAL B 440 156.433 224.720 239.677 1.00 37.35 O +ATOM 15358 CB VAL B 440 157.760 222.632 237.972 1.00 46.13 C +ATOM 15359 CG1 VAL B 440 156.469 221.813 237.848 1.00 42.32 C +ATOM 15360 CG2 VAL B 440 158.840 222.063 237.061 1.00 49.33 C +ATOM 15361 H VAL B 440 159.186 224.660 238.506 1.00 40.45 H +ATOM 15362 HA VAL B 440 157.261 224.171 236.691 1.00 54.82 H +ATOM 15363 HB VAL B 440 158.072 222.568 238.888 1.00 55.35 H +ATOM 15364 HG11 VAL B 440 156.660 220.888 238.069 1.00 50.79 H +ATOM 15365 HG12 VAL B 440 155.809 222.170 238.463 1.00 50.79 H +ATOM 15366 HG13 VAL B 440 156.142 221.875 236.937 1.00 50.79 H +ATOM 15367 HG21 VAL B 440 158.988 221.133 237.292 1.00 59.20 H +ATOM 15368 HG22 VAL B 440 158.545 222.134 236.140 1.00 59.20 H +ATOM 15369 HG23 VAL B 440 159.657 222.570 237.187 1.00 59.20 H +ATOM 15370 N PRO B 441 155.191 224.947 237.812 1.00 39.44 N +ATOM 15371 CA PRO B 441 154.030 225.414 238.581 1.00 47.65 C +ATOM 15372 C PRO B 441 153.558 224.378 239.603 1.00 51.28 C +ATOM 15373 O PRO B 441 153.543 223.193 239.282 1.00 56.60 O +ATOM 15374 CB PRO B 441 152.960 225.635 237.510 1.00 46.35 C +ATOM 15375 CG PRO B 441 153.696 225.730 236.227 1.00 48.76 C +ATOM 15376 CD PRO B 441 154.901 224.875 236.371 1.00 50.94 C +ATOM 15377 HA PRO B 441 154.226 226.252 239.028 1.00 57.18 H +ATOM 15378 HB2 PRO B 441 152.350 224.881 237.499 1.00 55.62 H +ATOM 15379 HB3 PRO B 441 152.483 226.460 237.691 1.00 55.62 H +ATOM 15380 HG2 PRO B 441 153.134 225.404 235.507 1.00 58.52 H +ATOM 15381 HG3 PRO B 441 153.952 226.652 236.068 1.00 58.52 H +ATOM 15382 HD2 PRO B 441 154.702 223.962 236.111 1.00 61.13 H +ATOM 15383 HD3 PRO B 441 155.639 225.240 235.858 1.00 61.13 H +ATOM 15384 N PRO B 442 153.174 224.814 240.815 1.00 62.21 N +ATOM 15385 CA PRO B 442 152.694 223.864 241.828 1.00 51.91 C +ATOM 15386 C PRO B 442 151.521 223.009 241.355 1.00 47.81 C +ATOM 15387 O PRO B 442 151.340 221.895 241.845 1.00 52.62 O +ATOM 15388 CB PRO B 442 152.265 224.777 242.981 1.00 58.38 C +ATOM 15389 CG PRO B 442 153.090 225.996 242.819 1.00 59.30 C +ATOM 15390 CD PRO B 442 153.243 226.187 241.343 1.00 53.10 C +ATOM 15391 HA PRO B 442 153.417 223.289 242.123 1.00 62.29 H +ATOM 15392 HB2 PRO B 442 151.322 224.986 242.900 1.00 70.06 H +ATOM 15393 HB3 PRO B 442 152.452 224.344 243.829 1.00 70.06 H +ATOM 15394 HG2 PRO B 442 152.632 226.754 243.215 1.00 71.16 H +ATOM 15395 HG3 PRO B 442 153.955 225.862 243.237 1.00 71.16 H +ATOM 15396 HD2 PRO B 442 152.514 226.722 240.994 1.00 63.72 H +ATOM 15397 HD3 PRO B 442 154.105 226.584 241.141 1.00 63.72 H +ATOM 15398 N ALA B 443 150.743 223.529 240.410 1.00 49.87 N +ATOM 15399 CA ALA B 443 149.565 222.828 239.905 1.00 49.67 C +ATOM 15400 C ALA B 443 149.930 221.497 239.247 1.00 54.93 C +ATOM 15401 O ALA B 443 149.219 220.506 239.407 1.00 54.42 O +ATOM 15402 CB ALA B 443 148.818 223.709 238.919 1.00 48.23 C +ATOM 15403 H ALA B 443 150.877 224.295 240.042 1.00 59.84 H +ATOM 15404 HA ALA B 443 148.970 222.640 240.647 1.00 59.61 H +ATOM 15405 HB1 ALA B 443 148.040 223.229 238.594 1.00 57.88 H +ATOM 15406 HB2 ALA B 443 148.540 224.522 239.370 1.00 57.88 H +ATOM 15407 HB3 ALA B 443 149.407 223.925 238.179 1.00 57.88 H +ATOM 15408 N VAL B 444 151.034 221.482 238.506 1.00 56.66 N +ATOM 15409 CA VAL B 444 151.490 220.270 237.829 1.00 57.15 C +ATOM 15410 C VAL B 444 152.744 219.728 238.509 1.00 60.01 C +ATOM 15411 O VAL B 444 153.632 219.170 237.864 1.00 55.66 O +ATOM 15412 CB VAL B 444 151.763 220.529 236.333 1.00 52.84 C +ATOM 15413 CG1 VAL B 444 150.485 220.992 235.646 1.00 47.31 C +ATOM 15414 CG2 VAL B 444 152.871 221.558 236.145 1.00 67.65 C +ATOM 15415 H VAL B 444 151.540 222.165 238.378 1.00 67.99 H +ATOM 15416 HA VAL B 444 150.798 219.594 237.894 1.00 68.58 H +ATOM 15417 HB VAL B 444 152.047 219.701 235.915 1.00 63.41 H +ATOM 15418 HG11 VAL B 444 150.671 221.151 234.707 1.00 56.77 H +ATOM 15419 HG12 VAL B 444 149.809 220.302 235.737 1.00 56.77 H +ATOM 15420 HG13 VAL B 444 150.180 221.812 236.066 1.00 56.77 H +ATOM 15421 HG21 VAL B 444 153.016 221.695 235.195 1.00 81.19 H +ATOM 15422 HG22 VAL B 444 152.602 222.391 236.563 1.00 81.19 H +ATOM 15423 HG23 VAL B 444 153.683 221.227 236.559 1.00 81.19 H +ATOM 15424 N GLN B 445 152.796 219.892 239.825 1.00 63.24 N +ATOM 15425 CA GLN B 445 153.906 219.403 240.632 1.00 56.69 C +ATOM 15426 C GLN B 445 154.008 217.880 240.593 1.00 55.97 C +ATOM 15427 O GLN B 445 155.089 217.330 240.383 1.00 57.20 O +ATOM 15428 CB GLN B 445 153.743 219.884 242.075 1.00 61.55 C +ATOM 15429 CG GLN B 445 154.710 219.264 243.068 1.00 69.18 C +ATOM 15430 CD GLN B 445 154.530 219.810 244.469 1.00 73.43 C +ATOM 15431 OE1 GLN B 445 154.035 220.921 244.656 1.00 72.13 O +ATOM 15432 NE2 GLN B 445 154.926 219.025 245.464 1.00 75.63 N +ATOM 15433 H GLN B 445 152.187 220.291 240.283 1.00 75.89 H +ATOM 15434 HA GLN B 445 154.735 219.769 240.285 1.00 68.03 H +ATOM 15435 HB2 GLN B 445 153.876 220.845 242.098 1.00 73.86 H +ATOM 15436 HB3 GLN B 445 152.844 219.673 242.371 1.00 73.86 H +ATOM 15437 HG2 GLN B 445 154.563 218.305 243.098 1.00 83.02 H +ATOM 15438 HG3 GLN B 445 155.619 219.452 242.786 1.00 83.02 H +ATOM 15439 HE21 GLN B 445 155.264 218.253 245.295 1.00 90.76 H +ATOM 15440 HE22 GLN B 445 154.845 219.290 246.279 1.00 90.76 H +ATOM 15441 N LYS B 446 152.881 217.207 240.800 1.00 56.41 N +ATOM 15442 CA LYS B 446 152.856 215.746 240.858 1.00 68.63 C +ATOM 15443 C LYS B 446 153.176 215.117 239.504 1.00 55.12 C +ATOM 15444 O LYS B 446 153.565 213.953 239.432 1.00 48.32 O +ATOM 15445 CB LYS B 446 151.492 215.257 241.358 1.00 58.88 C +ATOM 15446 CG LYS B 446 151.450 214.975 242.856 1.00 73.01 C +ATOM 15447 CD LYS B 446 151.643 213.492 243.146 1.00 84.91 C +ATOM 15448 CE LYS B 446 152.049 213.240 244.593 1.00 93.26 C +ATOM 15449 NZ LYS B 446 151.099 213.811 245.583 1.00 97.79 N +ATOM 15450 H LYS B 446 152.111 217.574 240.911 1.00 67.69 H +ATOM 15451 HA LYS B 446 153.528 215.448 241.490 1.00 82.35 H +ATOM 15452 HB2 LYS B 446 150.827 215.936 241.165 1.00 70.65 H +ATOM 15453 HB3 LYS B 446 151.267 214.435 240.895 1.00 70.65 H +ATOM 15454 HG2 LYS B 446 152.162 215.466 243.295 1.00 87.61 H +ATOM 15455 HG3 LYS B 446 150.588 215.244 243.208 1.00 87.61 H +ATOM 15456 HD2 LYS B 446 150.810 213.024 242.980 1.00101.89 H +ATOM 15457 HD3 LYS B 446 152.343 213.143 242.571 1.00101.89 H +ATOM 15458 HE2 LYS B 446 152.096 212.283 244.744 1.00111.91 H +ATOM 15459 HE3 LYS B 446 152.918 213.641 244.749 1.00111.91 H +ATOM 15460 HZ1 LYS B 446 151.380 213.637 246.409 1.00117.35 H +ATOM 15461 HZ2 LYS B 446 151.042 214.692 245.476 1.00117.35 H +ATOM 15462 HZ3 LYS B 446 150.292 213.453 245.470 1.00117.35 H +ATOM 15463 N VAL B 447 153.016 215.890 238.435 1.00 52.85 N +ATOM 15464 CA VAL B 447 153.380 215.428 237.102 1.00 49.53 C +ATOM 15465 C VAL B 447 154.896 215.298 237.002 1.00 57.25 C +ATOM 15466 O VAL B 447 155.411 214.336 236.430 1.00 55.03 O +ATOM 15467 CB VAL B 447 152.862 216.383 236.008 1.00 50.44 C +ATOM 15468 CG1 VAL B 447 153.367 215.966 234.634 1.00 64.40 C +ATOM 15469 CG2 VAL B 447 151.344 216.418 236.016 1.00 52.84 C +ATOM 15470 H VAL B 447 152.697 216.688 238.455 1.00 63.42 H +ATOM 15471 HA VAL B 447 152.990 214.553 236.950 1.00 59.43 H +ATOM 15472 HB VAL B 447 153.185 217.280 236.189 1.00 60.53 H +ATOM 15473 HG11 VAL B 447 153.024 216.585 233.971 1.00 77.28 H +ATOM 15474 HG12 VAL B 447 154.337 215.985 234.635 1.00 77.28 H +ATOM 15475 HG13 VAL B 447 153.054 215.068 234.442 1.00 77.28 H +ATOM 15476 HG21 VAL B 447 151.039 217.023 235.322 1.00 63.40 H +ATOM 15477 HG22 VAL B 447 151.007 215.524 235.847 1.00 63.40 H +ATOM 15478 HG23 VAL B 447 151.040 216.727 236.883 1.00 63.40 H +ATOM 15479 N SER B 448 155.606 216.275 237.557 1.00 51.55 N +ATOM 15480 CA SER B 448 157.063 216.231 237.593 1.00 52.89 C +ATOM 15481 C SER B 448 157.535 215.040 238.411 1.00 50.58 C +ATOM 15482 O SER B 448 158.523 214.394 238.068 1.00 49.53 O +ATOM 15483 CB SER B 448 157.632 217.524 238.175 1.00 53.95 C +ATOM 15484 OG SER B 448 157.432 218.609 237.290 1.00 69.74 O +ATOM 15485 H SER B 448 155.267 216.977 237.921 1.00 61.87 H +ATOM 15486 HA SER B 448 157.401 216.131 236.689 1.00 63.47 H +ATOM 15487 HB2 SER B 448 157.186 217.715 239.015 1.00 64.73 H +ATOM 15488 HB3 SER B 448 158.584 217.410 238.324 1.00 64.73 H +ATOM 15489 HG SER B 448 157.749 219.312 237.622 1.00 83.69 H +ATOM 15490 N GLN B 449 156.825 214.753 239.496 1.00 48.96 N +ATOM 15491 CA GLN B 449 157.168 213.621 240.344 1.00 55.86 C +ATOM 15492 C GLN B 449 156.964 212.312 239.590 1.00 53.66 C +ATOM 15493 O GLN B 449 157.771 211.391 239.698 1.00 48.91 O +ATOM 15494 CB GLN B 449 156.332 213.631 241.623 1.00 48.70 C +ATOM 15495 CG GLN B 449 156.809 212.629 242.655 1.00 64.71 C +ATOM 15496 CD GLN B 449 156.109 212.774 243.986 1.00 69.21 C +ATOM 15497 OE1 GLN B 449 155.239 213.626 244.154 1.00 67.50 O +ATOM 15498 NE2 GLN B 449 156.494 211.944 244.947 1.00 80.02 N +ATOM 15499 H GLN B 449 156.139 215.199 239.762 1.00 58.75 H +ATOM 15500 HA GLN B 449 158.103 213.683 240.594 1.00 67.03 H +ATOM 15501 HB2 GLN B 449 156.376 214.514 242.021 1.00 58.44 H +ATOM 15502 HB3 GLN B 449 155.413 213.414 241.400 1.00 58.44 H +ATOM 15503 HG2 GLN B 449 156.642 211.733 242.325 1.00 77.66 H +ATOM 15504 HG3 GLN B 449 157.760 212.757 242.801 1.00 77.66 H +ATOM 15505 HE21 GLN B 449 157.110 211.364 244.794 1.00 96.03 H +ATOM 15506 HE22 GLN B 449 156.126 211.985 245.724 1.00 96.03 H +ATOM 15507 N ALA B 450 155.881 212.241 238.824 1.00 55.02 N +ATOM 15508 CA ALA B 450 155.574 211.051 238.042 1.00 51.16 C +ATOM 15509 C ALA B 450 156.608 210.848 236.939 1.00 52.38 C +ATOM 15510 O ALA B 450 156.920 209.719 236.571 1.00 47.70 O +ATOM 15511 CB ALA B 450 154.182 211.152 237.450 1.00 49.03 C +ATOM 15512 H ALA B 450 155.304 212.873 238.739 1.00 66.02 H +ATOM 15513 HA ALA B 450 155.599 210.275 238.624 1.00 61.39 H +ATOM 15514 HB1 ALA B 450 154.000 210.351 236.934 1.00 58.83 H +ATOM 15515 HB2 ALA B 450 153.538 211.237 238.170 1.00 58.83 H +ATOM 15516 HB3 ALA B 450 154.140 211.932 236.875 1.00 58.83 H +ATOM 15517 N SER B 451 157.138 211.948 236.414 1.00 45.54 N +ATOM 15518 CA SER B 451 158.134 211.878 235.354 1.00 48.65 C +ATOM 15519 C SER B 451 159.447 211.314 235.893 1.00 48.39 C +ATOM 15520 O SER B 451 160.159 210.599 235.188 1.00 54.25 O +ATOM 15521 CB SER B 451 158.357 213.258 234.736 1.00 54.89 C +ATOM 15522 OG SER B 451 159.095 213.164 233.531 1.00 55.90 O +ATOM 15523 H SER B 451 156.936 212.748 236.656 1.00 54.65 H +ATOM 15524 HA SER B 451 157.814 211.283 234.657 1.00 58.38 H +ATOM 15525 HB2 SER B 451 157.496 213.662 234.547 1.00 65.87 H +ATOM 15526 HB3 SER B 451 158.850 213.809 235.364 1.00 65.87 H +ATOM 15527 HG SER B 451 159.209 213.929 233.203 1.00 67.08 H +ATOM 15528 N ILE B 452 159.761 211.635 237.145 1.00 48.46 N +ATOM 15529 CA ILE B 452 160.939 211.085 237.804 1.00 43.85 C +ATOM 15530 C ILE B 452 160.716 209.613 238.132 1.00 46.22 C +ATOM 15531 O ILE B 452 161.544 208.764 237.806 1.00 43.67 O +ATOM 15532 CB ILE B 452 161.284 211.850 239.104 1.00 45.52 C +ATOM 15533 CG1 ILE B 452 161.693 213.291 238.784 1.00 53.11 C +ATOM 15534 CG2 ILE B 452 162.412 211.146 239.870 1.00 39.62 C +ATOM 15535 CD1 ILE B 452 161.900 214.167 240.010 1.00 51.07 C +ATOM 15536 H ILE B 452 159.304 212.173 237.636 1.00 58.16 H +ATOM 15537 HA ILE B 452 161.699 211.150 237.205 1.00 52.62 H +ATOM 15538 HB ILE B 452 160.495 211.872 239.668 1.00 54.63 H +ATOM 15539 HG12 ILE B 452 162.527 213.275 238.289 1.00 63.73 H +ATOM 15540 HG13 ILE B 452 160.999 213.699 238.244 1.00 63.73 H +ATOM 15541 HG21 ILE B 452 162.606 211.647 240.677 1.00 47.55 H +ATOM 15542 HG22 ILE B 452 162.125 210.248 240.098 1.00 47.55 H +ATOM 15543 HG23 ILE B 452 163.200 211.108 239.306 1.00 47.55 H +ATOM 15544 HD11 ILE B 452 162.156 215.057 239.722 1.00 61.29 H +ATOM 15545 HD12 ILE B 452 161.072 214.206 240.513 1.00 61.29 H +ATOM 15546 HD13 ILE B 452 162.602 213.781 240.558 1.00 61.29 H +ATOM 15547 N ASP B 453 159.599 209.321 238.791 1.00 52.18 N +ATOM 15548 CA ASP B 453 159.286 207.961 239.215 1.00 47.04 C +ATOM 15549 C ASP B 453 159.282 206.992 238.040 1.00 46.43 C +ATOM 15550 O ASP B 453 159.807 205.884 238.134 1.00 42.28 O +ATOM 15551 CB ASP B 453 157.925 207.918 239.916 1.00 52.11 C +ATOM 15552 CG ASP B 453 157.956 208.547 241.297 1.00 55.28 C +ATOM 15553 OD1 ASP B 453 159.009 208.481 241.962 1.00 53.75 O +ATOM 15554 OD2 ASP B 453 156.921 209.102 241.719 1.00 53.48 O +ATOM 15555 H ASP B 453 159.000 209.900 239.007 1.00 62.61 H +ATOM 15556 HA ASP B 453 159.959 207.664 239.847 1.00 56.45 H +ATOM 15557 HB2 ASP B 453 157.278 208.402 239.380 1.00 62.53 H +ATOM 15558 HB3 ASP B 453 157.649 206.993 240.014 1.00 62.53 H +ATOM 15559 N GLN B 454 158.693 207.423 236.932 1.00 47.01 N +ATOM 15560 CA GLN B 454 158.535 206.565 235.769 1.00 37.42 C +ATOM 15561 C GLN B 454 159.869 206.324 235.066 1.00 44.64 C +ATOM 15562 O GLN B 454 160.063 205.286 234.436 1.00 39.88 O +ATOM 15563 CB GLN B 454 157.514 207.175 234.809 1.00 46.47 C +ATOM 15564 CG GLN B 454 156.082 207.086 235.328 1.00 47.32 C +ATOM 15565 CD GLN B 454 155.109 207.937 234.538 1.00 42.22 C +ATOM 15566 OE1 GLN B 454 155.422 208.415 233.448 1.00 53.78 O +ATOM 15567 NE2 GLN B 454 153.918 208.135 235.089 1.00 52.58 N +ATOM 15568 H GLN B 454 158.373 208.215 236.829 1.00 56.41 H +ATOM 15569 HA GLN B 454 158.193 205.705 236.059 1.00 44.90 H +ATOM 15570 HB2 GLN B 454 157.727 208.113 234.678 1.00 55.77 H +ATOM 15571 HB3 GLN B 454 157.557 206.704 233.963 1.00 55.77 H +ATOM 15572 HG2 GLN B 454 155.785 206.164 235.273 1.00 56.78 H +ATOM 15573 HG3 GLN B 454 156.062 207.386 236.250 1.00 56.78 H +ATOM 15574 HE21 GLN B 454 153.736 207.787 235.854 1.00 63.10 H +ATOM 15575 HE22 GLN B 454 153.329 208.611 234.682 1.00 63.10 H +ATOM 15576 N SER B 455 160.788 207.279 235.181 1.00 43.69 N +ATOM 15577 CA SER B 455 162.145 207.094 234.676 1.00 36.53 C +ATOM 15578 C SER B 455 162.834 205.944 235.399 1.00 35.83 C +ATOM 15579 O SER B 455 163.555 205.157 234.791 1.00 35.55 O +ATOM 15580 CB SER B 455 162.968 208.372 234.840 1.00 32.69 C +ATOM 15581 OG SER B 455 162.740 209.262 233.765 1.00 48.06 O +ATOM 15582 H SER B 455 160.651 208.045 235.548 1.00 52.43 H +ATOM 15583 HA SER B 455 162.107 206.877 233.732 1.00 43.83 H +ATOM 15584 HB2 SER B 455 162.714 208.807 235.669 1.00 39.23 H +ATOM 15585 HB3 SER B 455 163.910 208.141 234.863 1.00 39.23 H +ATOM 15586 HG SER B 455 162.956 208.897 233.040 1.00 57.68 H +ATOM 15587 N ARG B 456 162.608 205.862 236.705 1.00 37.15 N +ATOM 15588 CA ARG B 456 163.240 204.844 237.533 1.00 38.28 C +ATOM 15589 C ARG B 456 162.614 203.482 237.300 1.00 30.39 C +ATOM 15590 O ARG B 456 163.304 202.465 237.277 1.00 32.51 O +ATOM 15591 CB ARG B 456 163.131 205.221 239.004 1.00 38.21 C +ATOM 15592 CG ARG B 456 163.769 206.549 239.333 1.00 44.23 C +ATOM 15593 CD ARG B 456 163.396 206.994 240.723 1.00 47.49 C +ATOM 15594 NE ARG B 456 164.139 208.180 241.127 1.00 51.12 N +ATOM 15595 CZ ARG B 456 164.053 208.739 242.328 1.00 49.64 C +ATOM 15596 NH1 ARG B 456 163.254 208.218 243.248 1.00 55.31 N +ATOM 15597 NH2 ARG B 456 164.768 209.818 242.608 1.00 56.82 N +ATOM 15598 H ARG B 456 162.086 206.389 237.139 1.00 44.58 H +ATOM 15599 HA ARG B 456 164.181 204.788 237.304 1.00 45.94 H +ATOM 15600 HB2 ARG B 456 162.193 205.274 239.246 1.00 45.85 H +ATOM 15601 HB3 ARG B 456 163.571 204.540 239.536 1.00 45.85 H +ATOM 15602 HG2 ARG B 456 164.734 206.463 239.288 1.00 53.08 H +ATOM 15603 HG3 ARG B 456 163.459 207.219 238.704 1.00 53.08 H +ATOM 15604 HD2 ARG B 456 162.449 207.206 240.748 1.00 56.99 H +ATOM 15605 HD3 ARG B 456 163.596 206.282 241.351 1.00 56.99 H +ATOM 15606 HE ARG B 456 164.630 208.567 240.537 1.00 61.34 H +ATOM 15607 HH11 ARG B 456 162.789 207.517 243.067 1.00 66.37 H +ATOM 15608 HH12 ARG B 456 163.199 208.581 244.026 1.00 66.37 H +ATOM 15609 HH21 ARG B 456 165.287 210.157 242.012 1.00 68.18 H +ATOM 15610 HH22 ARG B 456 164.713 210.180 243.386 1.00 68.18 H +ATOM 15611 N GLN B 457 161.297 203.473 237.139 1.00 33.67 N +ATOM 15612 CA GLN B 457 160.572 202.256 236.816 1.00 33.95 C +ATOM 15613 C GLN B 457 161.065 201.690 235.487 1.00 38.81 C +ATOM 15614 O GLN B 457 161.050 200.478 235.276 1.00 43.46 O +ATOM 15615 CB GLN B 457 159.069 202.532 236.763 1.00 35.65 C +ATOM 15616 CG GLN B 457 158.225 201.339 236.344 1.00 49.49 C +ATOM 15617 CD GLN B 457 156.738 201.589 236.514 1.00 62.09 C +ATOM 15618 OE1 GLN B 457 156.320 202.678 236.914 1.00 53.12 O +ATOM 15619 NE2 GLN B 457 155.931 200.580 236.209 1.00 56.54 N +ATOM 15620 H GLN B 457 160.796 204.168 237.213 1.00 40.40 H +ATOM 15621 HA GLN B 457 160.735 201.594 237.506 1.00 40.74 H +ATOM 15622 HB2 GLN B 457 158.772 202.807 237.645 1.00 42.78 H +ATOM 15623 HB3 GLN B 457 158.906 203.246 236.126 1.00 42.78 H +ATOM 15624 HG2 GLN B 457 158.393 201.146 235.409 1.00 59.39 H +ATOM 15625 HG3 GLN B 457 158.466 200.574 236.890 1.00 59.39 H +ATOM 15626 HE21 GLN B 457 156.259 199.835 235.932 1.00 67.85 H +ATOM 15627 HE22 GLN B 457 155.079 200.671 236.288 1.00 67.85 H +ATOM 15628 N MET B 458 161.512 202.579 234.602 1.00 34.08 N +ATOM 15629 CA MET B 458 162.015 202.188 233.288 1.00 26.10 C +ATOM 15630 C MET B 458 163.539 202.049 233.273 1.00 26.25 C +ATOM 15631 O MET B 458 164.133 201.797 232.228 1.00 30.74 O +ATOM 15632 CB MET B 458 161.571 203.200 232.232 1.00 30.12 C +ATOM 15633 CG MET B 458 160.082 203.154 231.924 1.00 29.12 C +ATOM 15634 SD MET B 458 159.611 204.220 230.548 1.00 34.85 S +ATOM 15635 CE MET B 458 160.046 205.838 231.177 1.00 28.43 C +ATOM 15636 H MET B 458 161.533 203.427 234.741 1.00 40.90 H +ATOM 15637 HA MET B 458 161.626 201.331 233.053 1.00 31.32 H +ATOM 15638 HB2 MET B 458 161.781 204.093 232.548 1.00 36.14 H +ATOM 15639 HB3 MET B 458 162.050 203.022 231.408 1.00 36.14 H +ATOM 15640 HG2 MET B 458 159.836 202.244 231.696 1.00 34.95 H +ATOM 15641 HG3 MET B 458 159.590 203.443 232.708 1.00 34.95 H +ATOM 15642 HE1 MET B 458 159.832 206.505 230.507 1.00 34.11 H +ATOM 15643 HE2 MET B 458 159.540 206.008 231.987 1.00 34.11 H +ATOM 15644 HE3 MET B 458 160.997 205.856 231.371 1.00 34.11 H +ATOM 15645 N LYS B 459 164.164 202.219 234.433 1.00 31.55 N +ATOM 15646 CA LYS B 459 165.592 201.954 234.595 1.00 33.08 C +ATOM 15647 C LYS B 459 166.479 202.821 233.701 1.00 32.20 C +ATOM 15648 O LYS B 459 167.360 202.307 233.014 1.00 34.23 O +ATOM 15649 CB LYS B 459 165.885 200.477 234.313 1.00 43.07 C +ATOM 15650 CG LYS B 459 165.111 199.496 235.194 1.00 41.19 C +ATOM 15651 CD LYS B 459 165.677 199.424 236.602 1.00 57.78 C +ATOM 15652 CE LYS B 459 167.002 198.671 236.640 1.00 70.76 C +ATOM 15653 NZ LYS B 459 167.721 198.856 237.927 1.00 70.67 N +ATOM 15654 H LYS B 459 163.779 202.491 235.152 1.00 37.85 H +ATOM 15655 HA LYS B 459 165.839 202.134 235.516 1.00 39.70 H +ATOM 15656 HB2 LYS B 459 165.657 200.286 233.390 1.00 51.69 H +ATOM 15657 HB3 LYS B 459 166.831 200.316 234.455 1.00 51.69 H +ATOM 15658 HG2 LYS B 459 164.187 199.784 235.254 1.00 49.42 H +ATOM 15659 HG3 LYS B 459 165.160 198.610 234.803 1.00 49.42 H +ATOM 15660 HD2 LYS B 459 165.830 200.323 236.932 1.00 69.34 H +ATOM 15661 HD3 LYS B 459 165.048 198.959 237.176 1.00 69.34 H +ATOM 15662 HE2 LYS B 459 166.831 197.723 236.524 1.00 84.91 H +ATOM 15663 HE3 LYS B 459 167.572 198.997 235.927 1.00 84.91 H +ATOM 15664 HZ1 LYS B 459 168.488 198.404 237.915 1.00 84.80 H +ATOM 15665 HZ2 LYS B 459 167.896 199.719 238.056 1.00 84.80 H +ATOM 15666 HZ3 LYS B 459 167.221 198.559 238.600 1.00 84.80 H +ATOM 15667 N TYR B 460 166.255 204.131 233.716 1.00 28.99 N +ATOM 15668 CA TYR B 460 167.098 205.051 232.959 1.00 27.62 C +ATOM 15669 C TYR B 460 168.515 205.080 233.512 1.00 27.60 C +ATOM 15670 O TYR B 460 168.719 205.019 234.723 1.00 27.76 O +ATOM 15671 CB TYR B 460 166.530 206.474 232.984 1.00 32.58 C +ATOM 15672 CG TYR B 460 165.419 206.748 231.998 1.00 29.73 C +ATOM 15673 CD1 TYR B 460 164.692 205.715 231.429 1.00 31.16 C +ATOM 15674 CD2 TYR B 460 165.106 208.049 231.629 1.00 32.88 C +ATOM 15675 CE1 TYR B 460 163.681 205.970 230.530 1.00 33.03 C +ATOM 15676 CE2 TYR B 460 164.099 208.313 230.728 1.00 23.58 C +ATOM 15677 CZ TYR B 460 163.390 207.270 230.183 1.00 28.21 C +ATOM 15678 OH TYR B 460 162.384 207.527 229.286 1.00 32.52 O +ATOM 15679 H TYR B 460 165.623 204.513 234.157 1.00 34.79 H +ATOM 15680 HA TYR B 460 167.139 204.758 232.035 1.00 33.14 H +ATOM 15681 HB2 TYR B 460 166.180 206.649 233.872 1.00 39.10 H +ATOM 15682 HB3 TYR B 460 167.249 207.096 232.792 1.00 39.10 H +ATOM 15683 HD1 TYR B 460 164.886 204.836 231.663 1.00 37.40 H +ATOM 15684 HD2 TYR B 460 165.585 208.756 231.999 1.00 39.46 H +ATOM 15685 HE1 TYR B 460 163.199 205.268 230.157 1.00 39.63 H +ATOM 15686 HE2 TYR B 460 163.899 209.190 230.492 1.00 28.30 H +ATOM 15687 HH TYR B 460 162.312 208.355 229.164 1.00 39.02 H +ATOM 15688 N GLN B 461 169.492 205.185 232.618 1.00 29.80 N +ATOM 15689 CA GLN B 461 170.865 205.436 233.029 1.00 31.09 C +ATOM 15690 C GLN B 461 170.993 206.885 233.490 1.00 30.55 C +ATOM 15691 O GLN B 461 170.038 207.656 233.406 1.00 30.39 O +ATOM 15692 CB GLN B 461 171.841 205.135 231.890 1.00 30.23 C +ATOM 15693 CG GLN B 461 172.081 203.648 231.678 1.00 33.43 C +ATOM 15694 CD GLN B 461 173.051 203.360 230.553 1.00 31.84 C +ATOM 15695 OE1 GLN B 461 174.171 203.871 230.534 1.00 29.88 O +ATOM 15696 NE2 GLN B 461 172.624 202.535 229.606 1.00 28.29 N +ATOM 15697 H GLN B 461 169.385 205.115 231.768 1.00 35.76 H +ATOM 15698 HA GLN B 461 171.085 204.859 233.777 1.00 37.31 H +ATOM 15699 HB2 GLN B 461 171.484 205.500 231.066 1.00 36.28 H +ATOM 15700 HB3 GLN B 461 172.695 205.549 232.091 1.00 36.28 H +ATOM 15701 HG2 GLN B 461 172.446 203.268 232.492 1.00 40.11 H +ATOM 15702 HG3 GLN B 461 171.237 203.220 231.462 1.00 40.11 H +ATOM 15703 HE21 GLN B 461 171.835 202.197 229.654 1.00 33.94 H +ATOM 15704 HE22 GLN B 461 173.137 202.339 228.944 1.00 33.94 H +ATOM 15705 N SER B 462 172.168 207.254 233.983 1.00 30.51 N +ATOM 15706 CA SER B 462 172.356 208.576 234.563 1.00 34.02 C +ATOM 15707 C SER B 462 172.419 209.670 233.504 1.00 36.49 C +ATOM 15708 O SER B 462 172.590 209.402 232.314 1.00 31.17 O +ATOM 15709 CB SER B 462 173.627 208.611 235.411 1.00 35.87 C +ATOM 15710 OG SER B 462 174.783 208.600 234.595 1.00 36.03 O +ATOM 15711 H SER B 462 172.871 206.759 233.994 1.00 36.61 H +ATOM 15712 HA SER B 462 171.605 208.770 235.146 1.00 40.83 H +ATOM 15713 HB2 SER B 462 173.626 209.420 235.946 1.00 43.04 H +ATOM 15714 HB3 SER B 462 173.641 207.832 235.988 1.00 43.04 H +ATOM 15715 HG SER B 462 175.473 208.619 235.074 1.00 43.24 H +ATOM 15716 N PHE B 463 172.276 210.906 233.965 1.00 34.02 N +ATOM 15717 CA PHE B 463 172.367 212.084 233.116 1.00 32.76 C +ATOM 15718 C PHE B 463 173.698 212.134 232.378 1.00 34.16 C +ATOM 15719 O PHE B 463 173.745 212.441 231.188 1.00 33.23 O +ATOM 15720 CB PHE B 463 172.182 213.340 233.971 1.00 34.65 C +ATOM 15721 CG PHE B 463 172.248 214.626 233.203 1.00 29.95 C +ATOM 15722 CD1 PHE B 463 171.227 214.989 232.345 1.00 37.86 C +ATOM 15723 CD2 PHE B 463 173.316 215.487 233.366 1.00 31.76 C +ATOM 15724 CE1 PHE B 463 171.277 216.181 231.658 1.00 33.77 C +ATOM 15725 CE2 PHE B 463 173.371 216.678 232.678 1.00 37.20 C +ATOM 15726 CZ PHE B 463 172.351 217.025 231.822 1.00 37.85 C +ATOM 15727 H PHE B 463 172.121 211.092 234.790 1.00 40.82 H +ATOM 15728 HA PHE B 463 171.656 212.058 232.457 1.00 39.31 H +ATOM 15729 HB2 PHE B 463 171.314 213.297 234.401 1.00 41.59 H +ATOM 15730 HB3 PHE B 463 172.880 213.363 234.644 1.00 41.59 H +ATOM 15731 HD1 PHE B 463 170.497 214.424 232.231 1.00 45.43 H +ATOM 15732 HD2 PHE B 463 174.007 215.258 233.945 1.00 38.11 H +ATOM 15733 HE1 PHE B 463 170.588 216.413 231.078 1.00 40.53 H +ATOM 15734 HE2 PHE B 463 174.098 217.248 232.790 1.00 44.64 H +ATOM 15735 HZ PHE B 463 172.388 217.828 231.355 1.00 45.42 H +ATOM 15736 N ASN B 464 174.778 211.827 233.087 1.00 31.18 N +ATOM 15737 CA ASN B 464 176.111 211.863 232.495 1.00 31.90 C +ATOM 15738 C ASN B 464 176.299 210.784 231.430 1.00 34.82 C +ATOM 15739 O ASN B 464 177.066 210.970 230.489 1.00 34.38 O +ATOM 15740 CB ASN B 464 177.183 211.717 233.584 1.00 39.18 C +ATOM 15741 CG ASN B 464 177.842 213.044 233.952 1.00 38.78 C +ATOM 15742 OD1 ASN B 464 177.462 214.104 233.454 1.00 33.97 O +ATOM 15743 ND2 ASN B 464 178.834 212.983 234.835 1.00 38.10 N +ATOM 15744 H ASN B 464 174.767 211.595 233.915 1.00 37.42 H +ATOM 15745 HA ASN B 464 176.238 212.724 232.068 1.00 38.27 H +ATOM 15746 HB2 ASN B 464 176.772 211.355 234.385 1.00 47.01 H +ATOM 15747 HB3 ASN B 464 177.876 211.117 233.266 1.00 47.01 H +ATOM 15748 HD21 ASN B 464 179.239 213.702 235.077 1.00 45.71 H +ATOM 15749 HD22 ASN B 464 179.071 212.225 235.165 1.00 45.71 H +ATOM 15750 N GLU B 465 175.603 209.661 231.571 1.00 30.53 N +ATOM 15751 CA GLU B 465 175.680 208.609 230.565 1.00 34.65 C +ATOM 15752 C GLU B 465 175.004 209.060 229.275 1.00 39.70 C +ATOM 15753 O GLU B 465 175.469 208.748 228.178 1.00 35.81 O +ATOM 15754 CB GLU B 465 175.040 207.313 231.072 1.00 34.44 C +ATOM 15755 CG GLU B 465 175.836 206.594 232.155 1.00 41.61 C +ATOM 15756 CD GLU B 465 177.277 206.355 231.759 1.00 41.62 C +ATOM 15757 OE1 GLU B 465 177.514 205.636 230.768 1.00 42.88 O +ATOM 15758 OE2 GLU B 465 178.174 206.898 232.437 1.00 49.24 O +ATOM 15759 H GLU B 465 175.083 209.484 232.233 1.00 36.64 H +ATOM 15760 HA GLU B 465 176.612 208.427 230.369 1.00 41.58 H +ATOM 15761 HB2 GLU B 465 174.166 207.521 231.440 1.00 41.32 H +ATOM 15762 HB3 GLU B 465 174.942 206.702 230.325 1.00 41.32 H +ATOM 15763 HG2 GLU B 465 175.832 207.133 232.961 1.00 49.94 H +ATOM 15764 HG3 GLU B 465 175.426 205.732 232.330 1.00 49.94 H +ATOM 15765 N TYR B 466 173.909 209.801 229.409 1.00 29.68 N +ATOM 15766 CA TYR B 466 173.196 210.310 228.247 1.00 32.92 C +ATOM 15767 C TYR B 466 173.966 211.444 227.578 1.00 28.68 C +ATOM 15768 O TYR B 466 173.889 211.616 226.364 1.00 30.31 O +ATOM 15769 CB TYR B 466 171.789 210.767 228.639 1.00 25.61 C +ATOM 15770 CG TYR B 466 170.812 209.619 228.687 1.00 26.55 C +ATOM 15771 CD1 TYR B 466 170.262 209.107 227.519 1.00 25.98 C +ATOM 15772 CD2 TYR B 466 170.461 209.026 229.891 1.00 29.00 C +ATOM 15773 CE1 TYR B 466 169.384 208.048 227.552 1.00 24.75 C +ATOM 15774 CE2 TYR B 466 169.580 207.967 229.932 1.00 30.55 C +ATOM 15775 CZ TYR B 466 169.045 207.483 228.761 1.00 27.79 C +ATOM 15776 OH TYR B 466 168.169 206.432 228.798 1.00 21.47 O +ATOM 15777 H TYR B 466 173.560 210.023 230.163 1.00 35.61 H +ATOM 15778 HA TYR B 466 173.104 209.593 227.599 1.00 39.50 H +ATOM 15779 HB2 TYR B 466 171.820 211.173 229.519 1.00 30.73 H +ATOM 15780 HB3 TYR B 466 171.469 211.408 227.985 1.00 30.73 H +ATOM 15781 HD1 TYR B 466 170.490 209.486 226.701 1.00 31.18 H +ATOM 15782 HD2 TYR B 466 170.823 209.352 230.684 1.00 34.80 H +ATOM 15783 HE1 TYR B 466 169.018 207.719 226.763 1.00 29.70 H +ATOM 15784 HE2 TYR B 466 169.349 207.582 230.747 1.00 36.66 H +ATOM 15785 HH TYR B 466 167.919 206.238 228.020 1.00 25.77 H +ATOM 15786 N ARG B 467 174.717 212.205 228.367 1.00 30.36 N +ATOM 15787 CA ARG B 467 175.613 213.216 227.819 1.00 32.84 C +ATOM 15788 C ARG B 467 176.616 212.573 226.871 1.00 33.44 C +ATOM 15789 O ARG B 467 176.808 213.036 225.746 1.00 33.67 O +ATOM 15790 CB ARG B 467 176.361 213.949 228.930 1.00 31.63 C +ATOM 15791 CG ARG B 467 175.473 214.697 229.913 1.00 31.66 C +ATOM 15792 CD ARG B 467 175.403 216.175 229.612 1.00 35.51 C +ATOM 15793 NE ARG B 467 176.724 216.782 229.480 1.00 36.15 N +ATOM 15794 CZ ARG B 467 176.940 217.995 228.982 1.00 40.84 C +ATOM 15795 NH1 ARG B 467 178.175 218.465 228.893 1.00 34.28 N +ATOM 15796 NH2 ARG B 467 175.922 218.741 228.571 1.00 33.19 N +ATOM 15797 H ARG B 467 174.727 212.155 229.226 1.00 36.43 H +ATOM 15798 HA ARG B 467 175.095 213.866 227.319 1.00 39.41 H +ATOM 15799 HB2 ARG B 467 176.877 213.301 229.435 1.00 37.96 H +ATOM 15800 HB3 ARG B 467 176.959 214.597 228.524 1.00 37.96 H +ATOM 15801 HG2 ARG B 467 174.573 214.337 229.866 1.00 37.99 H +ATOM 15802 HG3 ARG B 467 175.829 214.588 230.809 1.00 37.99 H +ATOM 15803 HD2 ARG B 467 174.927 216.306 228.778 1.00 42.62 H +ATOM 15804 HD3 ARG B 467 174.937 216.624 230.335 1.00 42.62 H +ATOM 15805 HE ARG B 467 177.400 216.343 229.779 1.00 43.38 H +ATOM 15806 HH11 ARG B 467 178.838 217.986 229.159 1.00 41.13 H +ATOM 15807 HH12 ARG B 467 178.314 219.251 228.573 1.00 41.13 H +ATOM 15808 HH21 ARG B 467 175.118 218.439 228.625 1.00 39.83 H +ATOM 15809 HH22 ARG B 467 176.066 219.526 228.250 1.00 39.83 H +ATOM 15810 N LYS B 468 177.257 211.506 227.337 1.00 34.49 N +ATOM 15811 CA LYS B 468 178.266 210.809 226.547 1.00 36.15 C +ATOM 15812 C LYS B 468 177.649 210.149 225.313 1.00 33.71 C +ATOM 15813 O LYS B 468 178.273 210.092 224.256 1.00 25.35 O +ATOM 15814 CB LYS B 468 178.985 209.766 227.407 1.00 43.48 C +ATOM 15815 CG LYS B 468 179.809 210.374 228.541 1.00 46.25 C +ATOM 15816 CD LYS B 468 180.773 209.373 229.160 1.00 46.93 C +ATOM 15817 CE LYS B 468 180.067 208.375 230.062 1.00 45.17 C +ATOM 15818 NZ LYS B 468 181.037 207.441 230.705 1.00 62.35 N +ATOM 15819 H LYS B 468 177.125 211.163 228.114 1.00 41.39 H +ATOM 15820 HA LYS B 468 178.926 211.451 226.243 1.00 43.38 H +ATOM 15821 HB2 LYS B 468 178.324 209.176 227.802 1.00 52.17 H +ATOM 15822 HB3 LYS B 468 179.586 209.256 226.842 1.00 52.17 H +ATOM 15823 HG2 LYS B 468 180.327 211.116 228.193 1.00 55.50 H +ATOM 15824 HG3 LYS B 468 179.209 210.684 229.237 1.00 55.50 H +ATOM 15825 HD2 LYS B 468 181.215 208.879 228.452 1.00 56.32 H +ATOM 15826 HD3 LYS B 468 181.427 209.851 229.693 1.00 56.32 H +ATOM 15827 HE2 LYS B 468 179.595 208.854 230.761 1.00 54.21 H +ATOM 15828 HE3 LYS B 468 179.444 207.851 229.534 1.00 54.21 H +ATOM 15829 HZ1 LYS B 468 180.604 206.866 231.228 1.00 74.82 H +ATOM 15830 HZ2 LYS B 468 181.481 206.987 230.082 1.00 74.82 H +ATOM 15831 HZ3 LYS B 468 181.619 207.899 231.199 1.00 74.82 H +ATOM 15832 N ARG B 469 176.420 209.664 225.455 1.00 36.54 N +ATOM 15833 CA ARG B 469 175.717 209.007 224.357 1.00 32.28 C +ATOM 15834 C ARG B 469 175.496 209.967 223.196 1.00 30.14 C +ATOM 15835 O ARG B 469 175.439 209.552 222.042 1.00 25.62 O +ATOM 15836 CB ARG B 469 174.380 208.444 224.847 1.00 32.46 C +ATOM 15837 CG ARG B 469 173.423 207.991 223.752 1.00 27.79 C +ATOM 15838 CD ARG B 469 174.011 206.884 222.883 1.00 30.36 C +ATOM 15839 NE ARG B 469 173.039 206.400 221.907 1.00 30.11 N +ATOM 15840 CZ ARG B 469 172.744 207.021 220.768 1.00 31.41 C +ATOM 15841 NH1 ARG B 469 173.344 208.158 220.444 1.00 32.54 N +ATOM 15842 NH2 ARG B 469 171.842 206.501 219.947 1.00 33.72 N +ATOM 15843 H ARG B 469 175.966 209.704 226.185 1.00 43.85 H +ATOM 15844 HA ARG B 469 176.255 208.267 224.036 1.00 38.73 H +ATOM 15845 HB2 ARG B 469 174.558 207.677 225.414 1.00 38.95 H +ATOM 15846 HB3 ARG B 469 173.928 209.130 225.363 1.00 38.95 H +ATOM 15847 HG2 ARG B 469 172.610 207.654 224.160 1.00 33.35 H +ATOM 15848 HG3 ARG B 469 173.218 208.746 223.178 1.00 33.35 H +ATOM 15849 HD2 ARG B 469 174.780 207.228 222.402 1.00 36.44 H +ATOM 15850 HD3 ARG B 469 174.272 206.139 223.446 1.00 36.44 H +ATOM 15851 HE ARG B 469 172.630 205.664 222.079 1.00 36.13 H +ATOM 15852 HH11 ARG B 469 173.929 208.501 220.973 1.00 39.05 H +ATOM 15853 HH12 ARG B 469 173.148 208.553 219.706 1.00 39.05 H +ATOM 15854 HH21 ARG B 469 171.449 205.764 220.150 1.00 40.46 H +ATOM 15855 HH22 ARG B 469 171.651 206.901 219.209 1.00 40.46 H +ATOM 15856 N PHE B 470 175.378 211.254 223.505 1.00 28.80 N +ATOM 15857 CA PHE B 470 175.186 212.270 222.478 1.00 36.97 C +ATOM 15858 C PHE B 470 176.415 213.170 222.349 1.00 37.48 C +ATOM 15859 O PHE B 470 176.308 214.349 222.014 1.00 28.16 O +ATOM 15860 CB PHE B 470 173.921 213.071 222.779 1.00 31.97 C +ATOM 15861 CG PHE B 470 172.664 212.282 222.557 1.00 31.91 C +ATOM 15862 CD1 PHE B 470 172.141 211.487 223.561 1.00 28.35 C +ATOM 15863 CD2 PHE B 470 172.028 212.306 221.327 1.00 32.77 C +ATOM 15864 CE1 PHE B 470 170.998 210.750 223.350 1.00 28.92 C +ATOM 15865 CE2 PHE B 470 170.884 211.572 221.113 1.00 32.35 C +ATOM 15866 CZ PHE B 470 170.368 210.791 222.125 1.00 35.27 C +ATOM 15867 H PHE B 470 175.407 211.565 224.306 1.00 34.56 H +ATOM 15868 HA PHE B 470 175.057 211.827 221.625 1.00 44.37 H +ATOM 15869 HB2 PHE B 470 173.939 213.351 223.708 1.00 38.36 H +ATOM 15870 HB3 PHE B 470 173.894 213.848 222.199 1.00 38.36 H +ATOM 15871 HD1 PHE B 470 172.562 211.456 224.390 1.00 34.02 H +ATOM 15872 HD2 PHE B 470 172.373 212.832 220.642 1.00 39.32 H +ATOM 15873 HE1 PHE B 470 170.650 210.224 224.035 1.00 34.70 H +ATOM 15874 HE2 PHE B 470 170.460 211.601 220.285 1.00 38.82 H +ATOM 15875 HZ PHE B 470 169.594 210.295 221.983 1.00 42.32 H +ATOM 15876 N MET B 471 177.580 212.582 222.618 1.00 45.45 N +ATOM 15877 CA MET B 471 178.876 213.190 222.311 1.00 33.63 C +ATOM 15878 C MET B 471 179.131 214.487 223.073 1.00 24.54 C +ATOM 15879 O MET B 471 179.779 215.398 222.565 1.00 36.75 O +ATOM 15880 CB MET B 471 178.993 213.441 220.804 1.00 32.27 C +ATOM 15881 CG MET B 471 179.162 212.169 219.990 1.00 43.82 C +ATOM 15882 SD MET B 471 179.930 212.449 218.381 1.00 65.17 S +ATOM 15883 CE MET B 471 181.570 212.990 218.864 1.00143.43 C +ATOM 15884 H MET B 471 177.648 211.809 222.988 1.00 54.54 H +ATOM 15885 HA MET B 471 179.570 212.557 222.551 1.00 40.36 H +ATOM 15886 HB2 MET B 471 178.187 213.886 220.497 1.00 38.72 H +ATOM 15887 HB3 MET B 471 179.765 214.005 220.639 1.00 38.72 H +ATOM 15888 HG2 MET B 471 179.723 211.551 220.485 1.00 52.58 H +ATOM 15889 HG3 MET B 471 178.289 211.774 219.839 1.00 52.58 H +ATOM 15890 HE1 MET B 471 182.089 213.176 218.066 1.00172.12 H +ATOM 15891 HE2 MET B 471 181.491 213.794 219.402 1.00172.12 H +ATOM 15892 HE3 MET B 471 181.995 212.287 219.380 1.00172.12 H +ATOM 15893 N LEU B 472 178.626 214.555 224.297 1.00 31.06 N +ATOM 15894 CA LEU B 472 178.886 215.685 225.178 1.00 32.66 C +ATOM 15895 C LEU B 472 179.828 215.252 226.288 1.00 30.17 C +ATOM 15896 O LEU B 472 179.810 214.097 226.705 1.00 27.41 O +ATOM 15897 CB LEU B 472 177.586 216.226 225.771 1.00 30.57 C +ATOM 15898 CG LEU B 472 176.459 216.467 224.769 1.00 31.33 C +ATOM 15899 CD1 LEU B 472 175.180 216.812 225.500 1.00 33.14 C +ATOM 15900 CD2 LEU B 472 176.838 217.564 223.792 1.00 34.70 C +ATOM 15901 H LEU B 472 178.123 213.951 224.646 1.00 37.27 H +ATOM 15902 HA LEU B 472 179.312 216.395 224.673 1.00 39.19 H +ATOM 15903 HB2 LEU B 472 177.260 215.590 226.428 1.00 36.69 H +ATOM 15904 HB3 LEU B 472 177.775 217.072 226.206 1.00 36.69 H +ATOM 15905 HG LEU B 472 176.305 215.653 224.263 1.00 37.59 H +ATOM 15906 HD11 LEU B 472 174.476 216.962 224.849 1.00 39.76 H +ATOM 15907 HD12 LEU B 472 174.941 216.075 226.083 1.00 39.76 H +ATOM 15908 HD13 LEU B 472 175.324 217.616 226.023 1.00 39.76 H +ATOM 15909 HD21 LEU B 472 176.108 217.697 223.168 1.00 41.64 H +ATOM 15910 HD22 LEU B 472 177.006 218.382 224.286 1.00 41.64 H +ATOM 15911 HD23 LEU B 472 177.638 217.297 223.313 1.00 41.64 H +ATOM 15912 N LYS B 473 180.650 216.178 226.764 1.00 28.48 N +ATOM 15913 CA LYS B 473 181.534 215.890 227.881 1.00 37.75 C +ATOM 15914 C LYS B 473 180.698 215.720 229.150 1.00 34.80 C +ATOM 15915 O LYS B 473 179.814 216.530 229.418 1.00 36.08 O +ATOM 15916 CB LYS B 473 182.560 217.009 228.063 1.00 39.42 C +ATOM 15917 CG LYS B 473 183.808 216.583 228.821 1.00 56.22 C +ATOM 15918 CD LYS B 473 184.795 217.733 228.986 1.00 85.22 C +ATOM 15919 CE LYS B 473 184.268 218.815 229.922 1.00 72.65 C +ATOM 15920 NZ LYS B 473 183.986 218.297 231.292 1.00 73.14 N +ATOM 15921 H LYS B 473 180.715 216.979 226.458 1.00 34.18 H +ATOM 15922 HA LYS B 473 182.009 215.061 227.713 1.00 45.31 H +ATOM 15923 HB2 LYS B 473 182.837 217.324 227.188 1.00 47.30 H +ATOM 15924 HB3 LYS B 473 182.146 217.735 228.557 1.00 47.30 H +ATOM 15925 HG2 LYS B 473 183.555 216.273 229.704 1.00 67.47 H +ATOM 15926 HG3 LYS B 473 184.251 215.872 228.331 1.00 67.47 H +ATOM 15927 HD2 LYS B 473 185.623 217.391 229.357 1.00102.26 H +ATOM 15928 HD3 LYS B 473 184.960 218.138 228.120 1.00102.26 H +ATOM 15929 HE2 LYS B 473 184.930 219.520 229.997 1.00 87.18 H +ATOM 15930 HE3 LYS B 473 183.441 219.172 229.560 1.00 87.18 H +ATOM 15931 HZ1 LYS B 473 183.681 218.954 231.809 1.00 87.77 H +ATOM 15932 HZ2 LYS B 473 183.375 217.652 231.253 1.00 87.77 H +ATOM 15933 HZ3 LYS B 473 184.731 217.968 231.651 1.00 87.77 H +ATOM 15934 N PRO B 474 180.965 214.664 229.934 1.00 35.32 N +ATOM 15935 CA PRO B 474 180.217 214.533 231.188 1.00 34.60 C +ATOM 15936 C PRO B 474 180.578 215.628 232.182 1.00 36.43 C +ATOM 15937 O PRO B 474 181.725 216.070 232.215 1.00 45.68 O +ATOM 15938 CB PRO B 474 180.635 213.155 231.707 1.00 33.65 C +ATOM 15939 CG PRO B 474 181.943 212.887 231.067 1.00 39.74 C +ATOM 15940 CD PRO B 474 181.894 213.542 229.727 1.00 31.22 C +ATOM 15941 HA PRO B 474 179.261 214.544 231.021 1.00 41.52 H +ATOM 15942 HB2 PRO B 474 180.723 213.182 232.673 1.00 40.38 H +ATOM 15943 HB3 PRO B 474 179.979 212.492 231.440 1.00 40.38 H +ATOM 15944 HG2 PRO B 474 182.652 213.270 231.607 1.00 47.69 H +ATOM 15945 HG3 PRO B 474 182.067 211.929 230.973 1.00 47.69 H +ATOM 15946 HD2 PRO B 474 182.772 213.870 229.478 1.00 37.46 H +ATOM 15947 HD3 PRO B 474 181.541 212.928 229.063 1.00 37.46 H +ATOM 15948 N TYR B 475 179.607 216.063 232.975 1.00 46.00 N +ATOM 15949 CA TYR B 475 179.856 217.075 233.991 1.00 42.14 C +ATOM 15950 C TYR B 475 180.699 216.490 235.117 1.00 42.59 C +ATOM 15951 O TYR B 475 180.473 215.362 235.550 1.00 44.97 O +ATOM 15952 CB TYR B 475 178.537 217.628 234.537 1.00 45.91 C +ATOM 15953 CG TYR B 475 177.868 218.630 233.622 1.00 45.85 C +ATOM 15954 CD1 TYR B 475 178.469 219.847 233.338 1.00 46.57 C +ATOM 15955 CD2 TYR B 475 176.632 218.365 233.050 1.00 49.24 C +ATOM 15956 CE1 TYR B 475 177.865 220.768 232.507 1.00 42.73 C +ATOM 15957 CE2 TYR B 475 176.019 219.284 232.217 1.00 52.55 C +ATOM 15958 CZ TYR B 475 176.641 220.483 231.950 1.00 44.49 C +ATOM 15959 OH TYR B 475 176.041 221.403 231.124 1.00 44.49 O +ATOM 15960 H TYR B 475 178.793 215.786 232.945 1.00 55.20 H +ATOM 15961 HA TYR B 475 180.350 217.810 233.595 1.00 50.57 H +ATOM 15962 HB2 TYR B 475 177.920 216.890 234.669 1.00 55.10 H +ATOM 15963 HB3 TYR B 475 178.709 218.068 235.384 1.00 55.10 H +ATOM 15964 HD1 TYR B 475 179.298 220.045 233.712 1.00 55.89 H +ATOM 15965 HD2 TYR B 475 176.210 217.556 233.229 1.00 59.08 H +ATOM 15966 HE1 TYR B 475 178.283 221.579 232.325 1.00 51.28 H +ATOM 15967 HE2 TYR B 475 175.191 219.093 231.839 1.00 63.06 H +ATOM 15968 HH TYR B 475 175.303 221.107 230.852 1.00 53.39 H +ATOM 15969 N GLU B 476 181.670 217.267 235.585 1.00 53.11 N +ATOM 15970 CA GLU B 476 182.611 216.803 236.604 1.00 51.20 C +ATOM 15971 C GLU B 476 182.163 217.172 238.016 1.00 45.60 C +ATOM 15972 O GLU B 476 182.569 216.534 238.985 1.00 57.14 O +ATOM 15973 CB GLU B 476 184.002 217.378 236.337 1.00 53.96 C +ATOM 15974 CG GLU B 476 184.636 216.882 235.047 1.00 68.04 C +ATOM 15975 CD GLU B 476 185.975 217.530 234.769 1.00 85.30 C +ATOM 15976 OE1 GLU B 476 186.791 217.638 235.709 1.00 92.25 O +ATOM 15977 OE2 GLU B 476 186.210 217.937 233.612 1.00 87.02 O +ATOM 15978 H GLU B 476 181.809 218.075 235.325 1.00 63.73 H +ATOM 15979 HA GLU B 476 182.674 215.837 236.556 1.00 61.44 H +ATOM 15980 HB2 GLU B 476 183.936 218.344 236.282 1.00 64.75 H +ATOM 15981 HB3 GLU B 476 184.588 217.130 237.069 1.00 64.75 H +ATOM 15982 HG2 GLU B 476 184.772 215.924 235.109 1.00 81.65 H +ATOM 15983 HG3 GLU B 476 184.044 217.086 234.305 1.00 81.65 H +ATOM 15984 N SER B 477 181.334 218.205 238.130 1.00 54.16 N +ATOM 15985 CA SER B 477 180.817 218.635 239.425 1.00 52.81 C +ATOM 15986 C SER B 477 179.367 219.083 239.303 1.00 53.20 C +ATOM 15987 O SER B 477 178.875 219.322 238.202 1.00 54.43 O +ATOM 15988 CB SER B 477 181.667 219.772 239.993 1.00 63.08 C +ATOM 15989 OG SER B 477 181.502 220.958 239.235 1.00 47.24 O +ATOM 15990 H SER B 477 181.054 218.676 237.467 1.00 64.99 H +ATOM 15991 HA SER B 477 180.852 217.891 240.045 1.00 63.37 H +ATOM 15992 HB2 SER B 477 181.395 219.942 240.908 1.00 75.70 H +ATOM 15993 HB3 SER B 477 182.601 219.510 239.968 1.00 75.70 H +ATOM 15994 HG SER B 477 181.975 221.573 239.558 1.00 56.69 H +ATOM 15995 N PHE B 478 178.685 219.186 240.440 1.00 51.93 N +ATOM 15996 CA PHE B 478 177.314 219.682 240.471 1.00 56.48 C +ATOM 15997 C PHE B 478 177.280 221.162 240.116 1.00 53.52 C +ATOM 15998 O PHE B 478 176.353 221.638 239.462 1.00 47.56 O +ATOM 15999 CB PHE B 478 176.688 219.471 241.849 1.00 59.86 C +ATOM 16000 CG PHE B 478 176.574 218.032 242.253 1.00 51.59 C +ATOM 16001 CD1 PHE B 478 175.482 217.277 241.866 1.00 46.65 C +ATOM 16002 CD2 PHE B 478 177.551 217.438 243.032 1.00 53.12 C +ATOM 16003 CE1 PHE B 478 175.369 215.956 242.242 1.00 51.20 C +ATOM 16004 CE2 PHE B 478 177.443 216.116 243.411 1.00 53.22 C +ATOM 16005 CZ PHE B 478 176.350 215.375 243.015 1.00 53.65 C +ATOM 16006 H PHE B 478 178.997 218.974 241.212 1.00 62.32 H +ATOM 16007 HA PHE B 478 176.784 219.199 239.817 1.00 67.78 H +ATOM 16008 HB2 PHE B 478 177.234 219.922 242.512 1.00 71.83 H +ATOM 16009 HB3 PHE B 478 175.795 219.849 241.847 1.00 71.83 H +ATOM 16010 HD1 PHE B 478 174.817 217.665 241.345 1.00 55.98 H +ATOM 16011 HD2 PHE B 478 178.290 217.935 243.301 1.00 63.75 H +ATOM 16012 HE1 PHE B 478 174.631 215.457 241.974 1.00 61.44 H +ATOM 16013 HE2 PHE B 478 178.107 215.725 243.932 1.00 63.86 H +ATOM 16014 HZ PHE B 478 176.276 214.483 243.269 1.00 64.38 H +ATOM 16015 N GLU B 479 178.298 221.884 240.565 1.00 58.30 N +ATOM 16016 CA GLU B 479 178.395 223.313 240.317 1.00 59.65 C +ATOM 16017 C GLU B 479 178.601 223.587 238.830 1.00 55.76 C +ATOM 16018 O GLU B 479 178.150 224.605 238.306 1.00 51.41 O +ATOM 16019 CB GLU B 479 179.537 223.909 241.138 1.00 51.98 C +ATOM 16020 CG GLU B 479 179.637 225.418 241.067 1.00 82.47 C +ATOM 16021 CD GLU B 479 180.783 225.960 241.896 1.00 93.06 C +ATOM 16022 OE1 GLU B 479 181.015 225.437 243.006 1.00 73.76 O +ATOM 16023 OE2 GLU B 479 181.455 226.906 241.434 1.00 90.64 O +ATOM 16024 H GLU B 479 178.954 221.564 241.020 1.00 69.96 H +ATOM 16025 HA GLU B 479 177.569 223.741 240.592 1.00 71.58 H +ATOM 16026 HB2 GLU B 479 179.410 223.666 242.069 1.00 62.38 H +ATOM 16027 HB3 GLU B 479 180.375 223.543 240.816 1.00 62.38 H +ATOM 16028 HG2 GLU B 479 179.781 225.683 240.145 1.00 98.97 H +ATOM 16029 HG3 GLU B 479 178.814 225.807 241.401 1.00 98.97 H +ATOM 16030 N GLU B 480 179.286 222.672 238.155 1.00 54.48 N +ATOM 16031 CA GLU B 480 179.483 222.773 236.716 1.00 48.42 C +ATOM 16032 C GLU B 480 178.150 222.602 235.995 1.00 57.01 C +ATOM 16033 O GLU B 480 177.905 223.227 234.963 1.00 54.95 O +ATOM 16034 CB GLU B 480 180.485 221.723 236.236 1.00 46.25 C +ATOM 16035 CG GLU B 480 180.930 221.898 234.792 1.00 53.90 C +ATOM 16036 CD GLU B 480 181.763 220.734 234.291 1.00 62.26 C +ATOM 16037 OE1 GLU B 480 182.168 219.891 235.119 1.00 59.28 O +ATOM 16038 OE2 GLU B 480 182.010 220.660 233.069 1.00 60.14 O +ATOM 16039 H GLU B 480 179.649 221.978 238.510 1.00 65.38 H +ATOM 16040 HA GLU B 480 179.835 223.651 236.502 1.00 58.11 H +ATOM 16041 HB2 GLU B 480 181.275 221.768 236.796 1.00 55.50 H +ATOM 16042 HB3 GLU B 480 180.078 220.846 236.314 1.00 55.50 H +ATOM 16043 HG2 GLU B 480 180.145 221.971 234.226 1.00 64.68 H +ATOM 16044 HG3 GLU B 480 181.466 222.704 234.722 1.00 64.68 H +ATOM 16045 N LEU B 481 177.290 221.757 236.552 1.00 55.98 N +ATOM 16046 CA LEU B 481 175.988 221.480 235.958 1.00 53.22 C +ATOM 16047 C LEU B 481 175.050 222.687 236.027 1.00 51.90 C +ATOM 16048 O LEU B 481 174.443 223.060 235.025 1.00 41.64 O +ATOM 16049 CB LEU B 481 175.338 220.278 236.648 1.00 48.79 C +ATOM 16050 CG LEU B 481 173.895 219.961 236.248 1.00 48.99 C +ATOM 16051 CD1 LEU B 481 173.776 219.795 234.747 1.00 54.32 C +ATOM 16052 CD2 LEU B 481 173.403 218.711 236.961 1.00 48.63 C +ATOM 16053 H LEU B 481 177.439 221.326 237.282 1.00 67.17 H +ATOM 16054 HA LEU B 481 176.113 221.254 235.023 1.00 63.86 H +ATOM 16055 HB2 LEU B 481 175.870 219.491 236.452 1.00 58.55 H +ATOM 16056 HB3 LEU B 481 175.343 220.438 237.605 1.00 58.55 H +ATOM 16057 HG LEU B 481 173.325 220.700 236.513 1.00 58.79 H +ATOM 16058 HD11 LEU B 481 172.853 219.596 234.524 1.00 65.19 H +ATOM 16059 HD12 LEU B 481 174.051 220.619 234.315 1.00 65.19 H +ATOM 16060 HD13 LEU B 481 174.350 219.065 234.464 1.00 65.19 H +ATOM 16061 HD21 LEU B 481 172.489 218.533 236.690 1.00 58.35 H +ATOM 16062 HD22 LEU B 481 173.972 217.965 236.716 1.00 58.35 H +ATOM 16063 HD23 LEU B 481 173.443 218.858 237.919 1.00 58.35 H +ATOM 16064 N THR B 482 174.937 223.294 237.205 1.00 58.45 N +ATOM 16065 CA THR B 482 173.982 224.379 237.418 1.00 60.91 C +ATOM 16066 C THR B 482 174.588 225.757 237.160 1.00 57.92 C +ATOM 16067 O THR B 482 173.866 226.716 236.889 1.00 54.28 O +ATOM 16068 CB THR B 482 173.425 224.361 238.851 1.00 62.63 C +ATOM 16069 OG1 THR B 482 174.484 224.614 239.781 1.00 58.92 O +ATOM 16070 CG2 THR B 482 172.780 223.017 239.163 1.00 55.06 C +ATOM 16071 H THR B 482 175.403 223.096 237.900 1.00 70.14 H +ATOM 16072 HA THR B 482 173.237 224.264 236.808 1.00 73.09 H +ATOM 16073 HB THR B 482 172.749 225.050 238.940 1.00 75.16 H +ATOM 16074 HG1 THR B 482 174.827 225.366 239.629 1.00 70.71 H +ATOM 16075 HG21 THR B 482 172.433 223.018 240.069 1.00 66.07 H +ATOM 16076 HG22 THR B 482 172.051 222.848 238.546 1.00 66.07 H +ATOM 16077 HG23 THR B 482 173.436 222.307 239.078 1.00 66.07 H +ATOM 16078 N GLY B 483 175.911 225.853 237.246 1.00 56.38 N +ATOM 16079 CA GLY B 483 176.585 227.132 237.105 1.00 53.00 C +ATOM 16080 C GLY B 483 176.191 228.053 238.240 1.00 55.00 C +ATOM 16081 O GLY B 483 175.984 229.249 238.043 1.00 61.19 O +ATOM 16082 H GLY B 483 176.439 225.190 237.387 1.00 67.66 H +ATOM 16083 HA2 GLY B 483 177.547 227.002 237.122 1.00 63.60 H +ATOM 16084 HA3 GLY B 483 176.338 227.545 236.262 1.00 63.60 H +ATOM 16085 N GLU B 484 176.094 227.482 239.435 1.00 55.65 N +ATOM 16086 CA GLU B 484 175.575 228.195 240.594 1.00 55.85 C +ATOM 16087 C GLU B 484 175.758 227.326 241.842 1.00 60.10 C +ATOM 16088 O GLU B 484 175.930 226.113 241.734 1.00 65.76 O +ATOM 16089 CB GLU B 484 174.108 228.575 240.342 1.00 54.85 C +ATOM 16090 CG GLU B 484 173.177 228.571 241.541 1.00 54.73 C +ATOM 16091 CD GLU B 484 172.583 227.210 241.810 1.00 53.84 C +ATOM 16092 OE1 GLU B 484 171.543 227.162 242.487 1.00 58.65 O +ATOM 16093 OE2 GLU B 484 173.139 226.191 241.344 1.00 55.44 O +ATOM 16094 H GLU B 484 176.325 226.671 239.602 1.00 66.78 H +ATOM 16095 HA GLU B 484 176.082 229.012 240.718 1.00 67.01 H +ATOM 16096 HB2 GLU B 484 174.089 229.470 239.969 1.00 65.82 H +ATOM 16097 HB3 GLU B 484 173.742 227.952 239.695 1.00 65.82 H +ATOM 16098 HG2 GLU B 484 173.674 228.843 242.329 1.00 65.68 H +ATOM 16099 HG3 GLU B 484 172.448 229.190 241.378 1.00 65.68 H +ATOM 16100 N LYS B 485 175.733 227.950 243.017 1.00 60.06 N +ATOM 16101 CA LYS B 485 176.129 227.287 244.258 1.00 62.05 C +ATOM 16102 C LYS B 485 174.969 226.718 245.081 1.00 55.78 C +ATOM 16103 O LYS B 485 175.164 225.795 245.874 1.00 56.03 O +ATOM 16104 CB LYS B 485 176.920 228.271 245.126 1.00 59.27 C +ATOM 16105 CG LYS B 485 177.957 229.089 244.362 1.00 70.20 C +ATOM 16106 CD LYS B 485 179.071 228.218 243.794 1.00 73.12 C +ATOM 16107 CE LYS B 485 180.315 228.267 244.664 1.00 83.11 C +ATOM 16108 NZ LYS B 485 180.961 229.608 244.642 1.00 91.12 N +ATOM 16109 H LYS B 485 175.488 228.767 243.124 1.00 72.07 H +ATOM 16110 HA LYS B 485 176.720 226.550 244.038 1.00 74.47 H +ATOM 16111 HB2 LYS B 485 176.298 228.892 245.537 1.00 71.12 H +ATOM 16112 HB3 LYS B 485 177.387 227.772 245.815 1.00 71.12 H +ATOM 16113 HG2 LYS B 485 177.522 229.543 243.623 1.00 84.24 H +ATOM 16114 HG3 LYS B 485 178.357 229.737 244.963 1.00 84.24 H +ATOM 16115 HD2 LYS B 485 178.767 227.298 243.749 1.00 87.74 H +ATOM 16116 HD3 LYS B 485 179.307 228.537 242.908 1.00 87.74 H +ATOM 16117 HE2 LYS B 485 180.070 228.064 245.581 1.00 99.73 H +ATOM 16118 HE3 LYS B 485 180.957 227.617 244.339 1.00 99.73 H +ATOM 16119 HZ1 LYS B 485 181.685 229.605 245.160 1.00109.34 H +ATOM 16120 HZ2 LYS B 485 181.201 229.816 243.811 1.00109.34 H +ATOM 16121 HZ3 LYS B 485 180.393 230.224 244.942 1.00109.34 H +ATOM 16122 N GLU B 486 173.771 227.261 244.901 1.00 55.37 N +ATOM 16123 CA GLU B 486 172.642 226.928 245.769 1.00 60.20 C +ATOM 16124 C GLU B 486 172.015 225.570 245.436 1.00 62.56 C +ATOM 16125 O GLU B 486 171.999 224.666 246.272 1.00 57.73 O +ATOM 16126 CB GLU B 486 171.582 228.031 245.686 1.00 65.36 C +ATOM 16127 CG GLU B 486 170.425 227.874 246.662 1.00 71.25 C +ATOM 16128 CD GLU B 486 169.510 229.084 246.676 1.00 79.64 C +ATOM 16129 OE1 GLU B 486 168.503 229.060 247.413 1.00 82.43 O +ATOM 16130 OE2 GLU B 486 169.796 230.061 245.951 1.00 80.28 O +ATOM 16131 H GLU B 486 173.583 227.827 244.281 1.00 66.45 H +ATOM 16132 HA GLU B 486 172.956 226.890 246.686 1.00 72.24 H +ATOM 16133 HB2 GLU B 486 172.007 228.883 245.870 1.00 78.44 H +ATOM 16134 HB3 GLU B 486 171.211 228.038 244.790 1.00 78.44 H +ATOM 16135 HG2 GLU B 486 169.898 227.101 246.406 1.00 85.50 H +ATOM 16136 HG3 GLU B 486 170.779 227.755 247.557 1.00 85.50 H +ATOM 16137 N MET B 487 171.496 225.437 244.220 1.00 65.84 N +ATOM 16138 CA MET B 487 170.878 224.192 243.771 1.00 60.46 C +ATOM 16139 C MET B 487 171.890 223.055 243.701 1.00 52.99 C +ATOM 16140 O MET B 487 171.575 221.912 244.037 1.00 47.36 O +ATOM 16141 CB MET B 487 170.222 224.382 242.400 1.00 56.99 C +ATOM 16142 CG MET B 487 169.009 225.301 242.410 1.00 45.66 C +ATOM 16143 SD MET B 487 168.134 225.322 240.838 1.00 50.09 S +ATOM 16144 CE MET B 487 169.366 226.045 239.758 1.00 52.08 C +ATOM 16145 H MET B 487 171.489 226.061 243.628 1.00 79.00 H +ATOM 16146 HA MET B 487 170.180 223.948 244.400 1.00 72.55 H +ATOM 16147 HB2 MET B 487 170.875 224.763 241.793 1.00 68.39 H +ATOM 16148 HB3 MET B 487 169.933 223.517 242.071 1.00 68.39 H +ATOM 16149 HG2 MET B 487 168.390 224.999 243.093 1.00 54.79 H +ATOM 16150 HG3 MET B 487 169.300 226.206 242.603 1.00 54.79 H +ATOM 16151 HE1 MET B 487 169.594 226.929 240.087 1.00 62.50 H +ATOM 16152 HE2 MET B 487 170.154 225.480 239.756 1.00 62.50 H +ATOM 16153 HE3 MET B 487 169.001 226.109 238.862 1.00 62.50 H +ATOM 16154 N SER B 488 173.103 223.371 243.257 1.00 51.52 N +ATOM 16155 CA SER B 488 174.167 222.379 243.163 1.00 52.70 C +ATOM 16156 C SER B 488 174.435 221.732 244.517 1.00 62.06 C +ATOM 16157 O SER B 488 174.827 220.569 244.593 1.00 57.16 O +ATOM 16158 CB SER B 488 175.450 223.016 242.632 1.00 52.97 C +ATOM 16159 OG SER B 488 175.945 223.988 243.535 1.00 57.74 O +ATOM 16160 H SER B 488 173.336 224.159 243.001 1.00 61.83 H +ATOM 16161 HA SER B 488 173.898 221.682 242.545 1.00 63.24 H +ATOM 16162 HB2 SER B 488 176.120 222.325 242.514 1.00 63.56 H +ATOM 16163 HB3 SER B 488 175.261 223.444 241.782 1.00 63.56 H +ATOM 16164 HG SER B 488 176.649 224.330 243.232 1.00 69.29 H +ATOM 16165 N ALA B 489 174.220 222.495 245.583 1.00 64.54 N +ATOM 16166 CA ALA B 489 174.426 221.995 246.934 1.00 46.39 C +ATOM 16167 C ALA B 489 173.303 221.045 247.327 1.00 52.28 C +ATOM 16168 O ALA B 489 173.541 220.021 247.964 1.00 59.27 O +ATOM 16169 CB ALA B 489 174.517 223.145 247.915 1.00 52.29 C +ATOM 16170 H ALA B 489 173.953 223.312 245.548 1.00 77.45 H +ATOM 16171 HA ALA B 489 175.261 221.504 246.967 1.00 55.67 H +ATOM 16172 HB1 ALA B 489 174.653 222.789 248.807 1.00 62.75 H +ATOM 16173 HB2 ALA B 489 175.263 223.713 247.668 1.00 62.75 H +ATOM 16174 HB3 ALA B 489 173.690 223.652 247.885 1.00 62.75 H +ATOM 16175 N GLU B 490 172.076 221.391 246.951 1.00 44.78 N +ATOM 16176 CA GLU B 490 170.945 220.501 247.167 1.00 63.18 C +ATOM 16177 C GLU B 490 171.150 219.219 246.370 1.00 60.89 C +ATOM 16178 O GLU B 490 170.856 218.125 246.849 1.00 56.21 O +ATOM 16179 CB GLU B 490 169.631 221.172 246.760 1.00 58.51 C +ATOM 16180 CG GLU B 490 169.270 222.408 247.568 1.00 67.01 C +ATOM 16181 CD GLU B 490 168.930 222.096 249.011 1.00 74.16 C +ATOM 16182 OE1 GLU B 490 168.865 220.902 249.369 1.00 81.25 O +ATOM 16183 OE2 GLU B 490 168.724 223.050 249.791 1.00 77.67 O +ATOM 16184 H GLU B 490 171.873 222.134 246.569 1.00 53.74 H +ATOM 16185 HA GLU B 490 170.892 220.271 248.108 1.00 75.82 H +ATOM 16186 HB2 GLU B 490 169.695 221.438 245.829 1.00 70.21 H +ATOM 16187 HB3 GLU B 490 168.910 220.531 246.867 1.00 70.21 H +ATOM 16188 HG2 GLU B 490 170.024 223.018 247.564 1.00 80.42 H +ATOM 16189 HG3 GLU B 490 168.498 222.834 247.164 1.00 80.42 H +ATOM 16190 N LEU B 491 171.660 219.366 245.151 1.00 52.88 N +ATOM 16191 CA LEU B 491 171.952 218.220 244.301 1.00 55.41 C +ATOM 16192 C LEU B 491 172.963 217.291 244.959 1.00 57.36 C +ATOM 16193 O LEU B 491 172.784 216.074 244.967 1.00 51.87 O +ATOM 16194 CB LEU B 491 172.484 218.677 242.942 1.00 57.14 C +ATOM 16195 CG LEU B 491 171.481 219.063 241.854 1.00 60.96 C +ATOM 16196 CD1 LEU B 491 172.228 219.566 240.629 1.00 57.76 C +ATOM 16197 CD2 LEU B 491 170.596 217.883 241.484 1.00 44.37 C +ATOM 16198 H LEU B 491 171.846 220.125 244.792 1.00 63.45 H +ATOM 16199 HA LEU B 491 171.135 217.720 244.151 1.00 66.49 H +ATOM 16200 HB2 LEU B 491 173.048 219.452 243.090 1.00 68.57 H +ATOM 16201 HB3 LEU B 491 173.027 217.959 242.580 1.00 68.57 H +ATOM 16202 HG LEU B 491 170.914 219.779 242.180 1.00 73.15 H +ATOM 16203 HD11 LEU B 491 171.585 219.808 239.945 1.00 69.31 H +ATOM 16204 HD12 LEU B 491 172.755 220.342 240.878 1.00 69.31 H +ATOM 16205 HD13 LEU B 491 172.809 218.862 240.303 1.00 69.31 H +ATOM 16206 HD21 LEU B 491 169.973 218.161 240.794 1.00 53.24 H +ATOM 16207 HD22 LEU B 491 171.153 217.161 241.156 1.00 53.24 H +ATOM 16208 HD23 LEU B 491 170.110 217.595 242.273 1.00 53.24 H +ATOM 16209 N GLU B 492 174.028 217.868 245.505 1.00 57.99 N +ATOM 16210 CA GLU B 492 175.074 217.076 246.141 1.00 53.29 C +ATOM 16211 C GLU B 492 174.548 216.387 247.393 1.00 52.92 C +ATOM 16212 O GLU B 492 174.916 215.251 247.685 1.00 56.98 O +ATOM 16213 CB GLU B 492 176.279 217.949 246.493 1.00 52.14 C +ATOM 16214 CG GLU B 492 177.426 217.170 247.119 1.00 58.11 C +ATOM 16215 CD GLU B 492 178.767 217.850 246.938 1.00 62.72 C +ATOM 16216 OE1 GLU B 492 178.931 218.987 247.424 1.00 69.08 O +ATOM 16217 OE2 GLU B 492 179.656 217.246 246.304 1.00 65.65 O +ATOM 16218 H GLU B 492 174.168 218.717 245.521 1.00 69.59 H +ATOM 16219 HA GLU B 492 175.370 216.390 245.523 1.00 63.95 H +ATOM 16220 HB2 GLU B 492 176.610 218.368 245.684 1.00 62.56 H +ATOM 16221 HB3 GLU B 492 176.000 218.629 247.126 1.00 62.56 H +ATOM 16222 HG2 GLU B 492 177.263 217.078 248.071 1.00 69.73 H +ATOM 16223 HG3 GLU B 492 177.476 216.294 246.705 1.00 69.73 H +ATOM 16224 N ALA B 493 173.683 217.078 248.128 1.00 53.97 N +ATOM 16225 CA ALA B 493 173.115 216.528 249.353 1.00 60.53 C +ATOM 16226 C ALA B 493 172.153 215.390 249.035 1.00 55.53 C +ATOM 16227 O ALA B 493 171.966 214.480 249.842 1.00 50.77 O +ATOM 16228 CB ALA B 493 172.407 217.614 250.145 1.00 61.15 C +ATOM 16229 H ALA B 493 173.409 217.871 247.939 1.00 64.76 H +ATOM 16230 HA ALA B 493 173.831 216.172 249.902 1.00 72.63 H +ATOM 16231 HB1 ALA B 493 172.037 217.225 250.953 1.00 73.38 H +ATOM 16232 HB2 ALA B 493 173.047 218.306 250.373 1.00 73.38 H +ATOM 16233 HB3 ALA B 493 171.695 217.987 249.602 1.00 73.38 H +ATOM 16234 N LEU B 494 171.546 215.449 247.855 1.00 56.48 N +ATOM 16235 CA LEU B 494 170.596 214.429 247.432 1.00 47.11 C +ATOM 16236 C LEU B 494 171.293 213.250 246.755 1.00 47.20 C +ATOM 16237 O LEU B 494 170.960 212.097 247.016 1.00 49.12 O +ATOM 16238 CB LEU B 494 169.555 215.037 246.489 1.00 43.36 C +ATOM 16239 CG LEU B 494 168.563 216.006 247.140 1.00 50.86 C +ATOM 16240 CD1 LEU B 494 167.786 216.776 246.082 1.00 51.01 C +ATOM 16241 CD2 LEU B 494 167.609 215.264 248.062 1.00 55.32 C +ATOM 16242 H LEU B 494 171.669 216.074 247.277 1.00 67.77 H +ATOM 16243 HA LEU B 494 170.130 214.091 248.213 1.00 56.54 H +ATOM 16244 HB2 LEU B 494 170.021 215.524 245.791 1.00 52.03 H +ATOM 16245 HB3 LEU B 494 169.041 214.316 246.093 1.00 52.03 H +ATOM 16246 HG LEU B 494 169.055 216.648 247.675 1.00 61.04 H +ATOM 16247 HD11 LEU B 494 167.168 217.379 246.522 1.00 61.21 H +ATOM 16248 HD12 LEU B 494 168.411 217.281 245.538 1.00 61.21 H +ATOM 16249 HD13 LEU B 494 167.298 216.146 245.529 1.00 61.21 H +ATOM 16250 HD21 LEU B 494 166.995 215.901 248.459 1.00 66.39 H +ATOM 16251 HD22 LEU B 494 167.118 214.607 247.545 1.00 66.39 H +ATOM 16252 HD23 LEU B 494 168.122 214.823 248.757 1.00 66.39 H +ATOM 16253 N TYR B 495 172.275 213.539 245.905 1.00 49.70 N +ATOM 16254 CA TYR B 495 172.895 212.510 245.072 1.00 48.47 C +ATOM 16255 C TYR B 495 174.294 212.092 245.524 1.00 53.73 C +ATOM 16256 O TYR B 495 174.661 210.923 245.404 1.00 49.16 O +ATOM 16257 CB TYR B 495 172.955 212.992 243.627 1.00 47.60 C +ATOM 16258 CG TYR B 495 171.632 212.899 242.908 1.00 45.25 C +ATOM 16259 CD1 TYR B 495 171.093 211.666 242.572 1.00 42.46 C +ATOM 16260 CD2 TYR B 495 170.923 214.040 242.556 1.00 44.02 C +ATOM 16261 CE1 TYR B 495 169.886 211.571 241.910 1.00 37.05 C +ATOM 16262 CE2 TYR B 495 169.715 213.952 241.892 1.00 43.03 C +ATOM 16263 CZ TYR B 495 169.203 212.715 241.573 1.00 39.09 C +ATOM 16264 OH TYR B 495 168.003 212.619 240.913 1.00 50.06 O +ATOM 16265 H TYR B 495 172.602 214.326 245.792 1.00 59.64 H +ATOM 16266 HA TYR B 495 172.334 211.719 245.093 1.00 58.16 H +ATOM 16267 HB2 TYR B 495 173.235 213.920 243.617 1.00 57.12 H +ATOM 16268 HB3 TYR B 495 173.596 212.449 243.142 1.00 57.12 H +ATOM 16269 HD1 TYR B 495 171.552 210.889 242.797 1.00 50.95 H +ATOM 16270 HD2 TYR B 495 171.268 214.876 242.770 1.00 52.82 H +ATOM 16271 HE1 TYR B 495 169.536 210.737 241.692 1.00 44.46 H +ATOM 16272 HE2 TYR B 495 169.250 214.724 241.663 1.00 51.63 H +ATOM 16273 HH TYR B 495 167.811 211.812 240.783 1.00 60.07 H +ATOM 16274 N GLY B 496 175.076 213.042 246.026 1.00 57.27 N +ATOM 16275 CA GLY B 496 176.426 212.751 246.478 1.00 48.80 C +ATOM 16276 C GLY B 496 177.439 212.725 245.346 1.00 56.96 C +ATOM 16277 O GLY B 496 178.470 213.393 245.417 1.00 61.56 O +ATOM 16278 H GLY B 496 174.846 213.866 246.115 1.00 68.72 H +ATOM 16279 HA2 GLY B 496 176.703 213.425 247.119 1.00 58.56 H +ATOM 16280 HA3 GLY B 496 176.438 211.887 246.919 1.00 58.56 H +ATOM 16281 N ASP B 497 177.145 211.949 244.306 1.00 53.45 N +ATOM 16282 CA ASP B 497 178.026 211.817 243.147 1.00 46.49 C +ATOM 16283 C ASP B 497 177.361 212.413 241.911 1.00 51.17 C +ATOM 16284 O ASP B 497 176.190 212.151 241.639 1.00 46.31 O +ATOM 16285 CB ASP B 497 178.374 210.345 242.909 1.00 50.66 C +ATOM 16286 CG ASP B 497 179.458 210.157 241.862 1.00 53.62 C +ATOM 16287 OD1 ASP B 497 179.809 211.132 241.165 1.00 56.63 O +ATOM 16288 OD2 ASP B 497 179.958 209.020 241.731 1.00 61.34 O +ATOM 16289 H ASP B 497 176.426 211.480 244.247 1.00 64.13 H +ATOM 16290 HA ASP B 497 178.849 212.302 243.314 1.00 55.79 H +ATOM 16291 HB2 ASP B 497 178.689 209.957 243.740 1.00 60.79 H +ATOM 16292 HB3 ASP B 497 177.580 209.878 242.605 1.00 60.79 H +ATOM 16293 N ILE B 498 178.117 213.215 241.168 1.00 57.43 N +ATOM 16294 CA ILE B 498 177.597 213.878 239.976 1.00 51.44 C +ATOM 16295 C ILE B 498 177.131 212.858 238.938 1.00 50.81 C +ATOM 16296 O ILE B 498 176.232 213.135 238.147 1.00 47.10 O +ATOM 16297 CB ILE B 498 178.661 214.816 239.338 1.00 46.60 C +ATOM 16298 CG1 ILE B 498 178.112 215.516 238.089 1.00 45.32 C +ATOM 16299 CG2 ILE B 498 179.924 214.041 238.983 1.00 55.73 C +ATOM 16300 CD1 ILE B 498 176.868 216.349 238.334 1.00 53.17 C +ATOM 16301 H ILE B 498 178.942 213.394 241.334 1.00 68.92 H +ATOM 16302 HA ILE B 498 176.832 214.420 240.226 1.00 61.73 H +ATOM 16303 HB ILE B 498 178.895 215.496 239.989 1.00 55.92 H +ATOM 16304 HG12 ILE B 498 178.797 216.106 237.737 1.00 54.39 H +ATOM 16305 HG13 ILE B 498 177.890 214.842 237.428 1.00 54.39 H +ATOM 16306 HG21 ILE B 498 180.567 214.650 238.588 1.00 66.87 H +ATOM 16307 HG22 ILE B 498 180.291 213.648 239.790 1.00 66.87 H +ATOM 16308 HG23 ILE B 498 179.697 213.343 238.348 1.00 66.87 H +ATOM 16309 HD11 ILE B 498 176.590 216.753 237.498 1.00 63.81 H +ATOM 16310 HD12 ILE B 498 176.166 215.773 238.674 1.00 63.81 H +ATOM 16311 HD13 ILE B 498 177.074 217.039 238.984 1.00 63.81 H +ATOM 16312 N ASP B 499 177.740 211.677 238.953 1.00 50.42 N +ATOM 16313 CA ASP B 499 177.394 210.626 238.002 1.00 53.71 C +ATOM 16314 C ASP B 499 176.156 209.844 238.439 1.00 46.32 C +ATOM 16315 O ASP B 499 175.757 208.889 237.774 1.00 46.80 O +ATOM 16316 CB ASP B 499 178.575 209.672 237.813 1.00 50.48 C +ATOM 16317 CG ASP B 499 179.690 210.281 236.988 1.00 55.81 C +ATOM 16318 OD1 ASP B 499 179.494 210.467 235.766 1.00 48.79 O +ATOM 16319 OD2 ASP B 499 180.766 210.568 237.555 1.00 63.36 O +ATOM 16320 H ASP B 499 178.360 211.458 239.507 1.00 60.50 H +ATOM 16321 HA ASP B 499 177.200 211.033 237.143 1.00 64.45 H +ATOM 16322 HB2 ASP B 499 178.936 209.440 238.683 1.00 60.57 H +ATOM 16323 HB3 ASP B 499 178.266 208.873 237.358 1.00 60.57 H +ATOM 16324 N ALA B 500 175.552 210.251 239.552 1.00 45.65 N +ATOM 16325 CA ALA B 500 174.341 209.606 240.056 1.00 46.28 C +ATOM 16326 C ALA B 500 173.103 210.458 239.791 1.00 43.84 C +ATOM 16327 O ALA B 500 171.980 210.029 240.050 1.00 41.77 O +ATOM 16328 CB ALA B 500 174.474 209.324 241.538 1.00 51.23 C +ATOM 16329 H ALA B 500 175.826 210.905 240.038 1.00 54.78 H +ATOM 16330 HA ALA B 500 174.223 208.758 239.600 1.00 55.53 H +ATOM 16331 HB1 ALA B 500 173.661 208.896 241.851 1.00 61.48 H +ATOM 16332 HB2 ALA B 500 175.233 208.737 241.680 1.00 61.48 H +ATOM 16333 HB3 ALA B 500 174.610 210.162 242.007 1.00 61.48 H +ATOM 16334 N VAL B 501 173.312 211.665 239.276 1.00 37.91 N +ATOM 16335 CA VAL B 501 172.206 212.562 238.960 1.00 40.16 C +ATOM 16336 C VAL B 501 171.386 212.008 237.796 1.00 41.49 C +ATOM 16337 O VAL B 501 171.938 211.560 236.792 1.00 33.71 O +ATOM 16338 CB VAL B 501 172.711 213.974 238.608 1.00 40.42 C +ATOM 16339 CG1 VAL B 501 171.544 214.901 238.319 1.00 41.86 C +ATOM 16340 CG2 VAL B 501 173.555 214.532 239.742 1.00 51.92 C +ATOM 16341 H VAL B 501 174.088 211.990 239.099 1.00 45.49 H +ATOM 16342 HA VAL B 501 171.624 212.633 239.733 1.00 48.19 H +ATOM 16343 HB VAL B 501 173.264 213.927 237.813 1.00 48.50 H +ATOM 16344 HG11 VAL B 501 171.887 215.782 238.101 1.00 50.23 H +ATOM 16345 HG12 VAL B 501 171.038 214.547 237.570 1.00 50.23 H +ATOM 16346 HG13 VAL B 501 170.979 214.951 239.106 1.00 50.23 H +ATOM 16347 HG21 VAL B 501 173.862 215.420 239.500 1.00 62.30 H +ATOM 16348 HG22 VAL B 501 173.014 214.576 240.546 1.00 62.30 H +ATOM 16349 HG23 VAL B 501 174.316 213.947 239.886 1.00 62.30 H +ATOM 16350 N GLU B 502 170.065 212.055 237.939 1.00 39.00 N +ATOM 16351 CA GLU B 502 169.158 211.474 236.955 1.00 35.38 C +ATOM 16352 C GLU B 502 168.886 212.421 235.793 1.00 43.73 C +ATOM 16353 O GLU B 502 169.080 213.632 235.902 1.00 44.95 O +ATOM 16354 CB GLU B 502 167.839 211.082 237.618 1.00 41.95 C +ATOM 16355 CG GLU B 502 167.975 209.996 238.669 1.00 41.08 C +ATOM 16356 CD GLU B 502 166.718 209.833 239.493 1.00 47.90 C +ATOM 16357 OE1 GLU B 502 165.836 209.049 239.090 1.00 48.94 O +ATOM 16358 OE2 GLU B 502 166.614 210.494 240.547 1.00 55.78 O +ATOM 16359 H GLU B 502 169.665 212.423 238.606 1.00 46.80 H +ATOM 16360 HA GLU B 502 169.561 210.669 236.595 1.00 42.46 H +ATOM 16361 HB2 GLU B 502 167.462 211.865 238.049 1.00 50.34 H +ATOM 16362 HB3 GLU B 502 167.231 210.758 236.935 1.00 50.34 H +ATOM 16363 HG2 GLU B 502 168.158 209.151 238.230 1.00 49.30 H +ATOM 16364 HG3 GLU B 502 168.701 210.224 239.269 1.00 49.30 H +ATOM 16365 N LEU B 503 168.415 211.847 234.693 1.00 43.18 N +ATOM 16366 CA LEU B 503 168.241 212.566 233.436 1.00 38.85 C +ATOM 16367 C LEU B 503 167.278 213.750 233.524 1.00 39.62 C +ATOM 16368 O LEU B 503 167.650 214.881 233.210 1.00 33.52 O +ATOM 16369 CB LEU B 503 167.755 211.591 232.360 1.00 36.13 C +ATOM 16370 CG LEU B 503 167.428 212.163 230.980 1.00 33.17 C +ATOM 16371 CD1 LEU B 503 168.591 212.970 230.433 1.00 35.32 C +ATOM 16372 CD2 LEU B 503 167.067 211.036 230.029 1.00 29.22 C +ATOM 16373 H LEU B 503 168.182 211.020 234.648 1.00 51.81 H +ATOM 16374 HA LEU B 503 169.103 212.910 233.154 1.00 46.62 H +ATOM 16375 HB2 LEU B 503 168.442 210.919 232.233 1.00 43.35 H +ATOM 16376 HB3 LEU B 503 166.948 211.162 232.688 1.00 43.35 H +ATOM 16377 HG LEU B 503 166.660 212.752 231.054 1.00 39.80 H +ATOM 16378 HD11 LEU B 503 168.351 213.317 229.560 1.00 42.38 H +ATOM 16379 HD12 LEU B 503 168.779 213.703 231.040 1.00 42.38 H +ATOM 16380 HD13 LEU B 503 169.367 212.393 230.359 1.00 42.38 H +ATOM 16381 HD21 LEU B 503 166.862 211.411 229.158 1.00 35.07 H +ATOM 16382 HD22 LEU B 503 167.821 210.429 229.959 1.00 35.07 H +ATOM 16383 HD23 LEU B 503 166.294 210.565 230.377 1.00 35.07 H +ATOM 16384 N TYR B 504 166.042 213.493 233.942 1.00 39.38 N +ATOM 16385 CA TYR B 504 164.998 214.515 233.882 1.00 38.27 C +ATOM 16386 C TYR B 504 165.244 215.686 234.835 1.00 40.05 C +ATOM 16387 O TYR B 504 165.101 216.841 234.438 1.00 36.70 O +ATOM 16388 CB TYR B 504 163.626 213.899 234.164 1.00 44.02 C +ATOM 16389 CG TYR B 504 162.523 214.923 234.283 1.00 46.24 C +ATOM 16390 CD1 TYR B 504 161.931 215.196 235.507 1.00 49.62 C +ATOM 16391 CD2 TYR B 504 162.082 215.625 233.172 1.00 46.44 C +ATOM 16392 CE1 TYR B 504 160.924 216.134 235.621 1.00 52.18 C +ATOM 16393 CE2 TYR B 504 161.076 216.566 233.274 1.00 50.48 C +ATOM 16394 CZ TYR B 504 160.501 216.816 234.500 1.00 60.56 C +ATOM 16395 OH TYR B 504 159.498 217.752 234.608 1.00 62.25 O +ATOM 16396 H TYR B 504 165.782 212.739 234.264 1.00 47.25 H +ATOM 16397 HA TYR B 504 164.975 214.875 232.981 1.00 45.93 H +ATOM 16398 HB2 TYR B 504 163.397 213.297 233.439 1.00 52.83 H +ATOM 16399 HB3 TYR B 504 163.669 213.409 234.999 1.00 52.83 H +ATOM 16400 HD1 TYR B 504 162.215 214.736 236.264 1.00 59.55 H +ATOM 16401 HD2 TYR B 504 162.468 215.458 232.343 1.00 55.73 H +ATOM 16402 HE1 TYR B 504 160.535 216.304 236.448 1.00 62.61 H +ATOM 16403 HE2 TYR B 504 160.789 217.027 232.520 1.00 60.57 H +ATOM 16404 HH TYR B 504 159.338 218.090 233.856 1.00 74.70 H +ATOM 16405 N PRO B 505 165.608 215.405 236.098 1.00 44.72 N +ATOM 16406 CA PRO B 505 165.885 216.533 236.995 1.00 43.47 C +ATOM 16407 C PRO B 505 167.064 217.380 236.533 1.00 35.15 C +ATOM 16408 O PRO B 505 167.038 218.603 236.652 1.00 38.51 O +ATOM 16409 CB PRO B 505 166.202 215.849 238.330 1.00 41.34 C +ATOM 16410 CG PRO B 505 165.558 214.518 238.239 1.00 50.84 C +ATOM 16411 CD PRO B 505 165.675 214.117 236.808 1.00 51.19 C +ATOM 16412 HA PRO B 505 165.099 217.092 237.094 1.00 52.17 H +ATOM 16413 HB2 PRO B 505 167.162 215.760 238.433 1.00 49.60 H +ATOM 16414 HB3 PRO B 505 165.824 216.364 239.059 1.00 49.60 H +ATOM 16415 HG2 PRO B 505 166.027 213.890 238.810 1.00 61.01 H +ATOM 16416 HG3 PRO B 505 164.626 214.589 238.499 1.00 61.01 H +ATOM 16417 HD2 PRO B 505 166.528 213.683 236.646 1.00 61.43 H +ATOM 16418 HD3 PRO B 505 164.931 213.549 236.553 1.00 61.43 H +ATOM 16419 N ALA B 506 168.090 216.725 236.004 1.00 34.33 N +ATOM 16420 CA ALA B 506 169.290 217.416 235.563 1.00 33.75 C +ATOM 16421 C ALA B 506 168.982 218.360 234.406 1.00 30.47 C +ATOM 16422 O ALA B 506 169.521 219.462 234.340 1.00 33.69 O +ATOM 16423 CB ALA B 506 170.346 216.417 235.158 1.00 33.23 C +ATOM 16424 H ALA B 506 168.114 215.872 235.890 1.00 41.20 H +ATOM 16425 HA ALA B 506 169.641 217.944 236.297 1.00 40.50 H +ATOM 16426 HB1 ALA B 506 171.138 216.895 234.867 1.00 39.88 H +ATOM 16427 HB2 ALA B 506 170.559 215.857 235.921 1.00 39.88 H +ATOM 16428 HB3 ALA B 506 170.002 215.872 234.433 1.00 39.88 H +ATOM 16429 N LEU B 507 168.110 217.925 233.501 1.00 30.57 N +ATOM 16430 CA LEU B 507 167.747 218.725 232.335 1.00 32.29 C +ATOM 16431 C LEU B 507 167.134 220.061 232.731 1.00 34.27 C +ATOM 16432 O LEU B 507 167.381 221.077 232.086 1.00 33.69 O +ATOM 16433 CB LEU B 507 166.767 217.962 231.444 1.00 32.35 C +ATOM 16434 CG LEU B 507 167.338 216.843 230.571 1.00 29.98 C +ATOM 16435 CD1 LEU B 507 166.214 215.968 230.048 1.00 29.70 C +ATOM 16436 CD2 LEU B 507 168.141 217.414 229.421 1.00 30.82 C +ATOM 16437 H LEU B 507 167.712 217.164 233.540 1.00 36.68 H +ATOM 16438 HA LEU B 507 168.546 218.904 231.816 1.00 38.74 H +ATOM 16439 HB2 LEU B 507 166.092 217.562 232.014 1.00 38.82 H +ATOM 16440 HB3 LEU B 507 166.344 218.599 230.848 1.00 38.82 H +ATOM 16441 HG LEU B 507 167.927 216.290 231.107 1.00 35.98 H +ATOM 16442 HD11 LEU B 507 166.592 215.264 229.497 1.00 35.64 H +ATOM 16443 HD12 LEU B 507 165.739 215.580 230.801 1.00 35.64 H +ATOM 16444 HD13 LEU B 507 165.609 216.513 229.521 1.00 35.64 H +ATOM 16445 HD21 LEU B 507 168.489 216.684 228.886 1.00 36.98 H +ATOM 16446 HD22 LEU B 507 167.562 217.974 228.880 1.00 36.98 H +ATOM 16447 HD23 LEU B 507 168.872 217.941 229.779 1.00 36.98 H +ATOM 16448 N LEU B 508 166.337 220.056 233.794 1.00 36.55 N +ATOM 16449 CA LEU B 508 165.591 221.248 234.185 1.00 38.62 C +ATOM 16450 C LEU B 508 166.402 222.212 235.049 1.00 38.24 C +ATOM 16451 O LEU B 508 166.110 223.407 235.074 1.00 42.20 O +ATOM 16452 CB LEU B 508 164.313 220.847 234.921 1.00 40.79 C +ATOM 16453 CG LEU B 508 163.279 220.018 234.150 1.00 42.79 C +ATOM 16454 CD1 LEU B 508 161.919 220.148 234.816 1.00 43.29 C +ATOM 16455 CD2 LEU B 508 163.190 220.412 232.683 1.00 46.22 C +ATOM 16456 H LEU B 508 166.210 219.376 234.305 1.00 43.86 H +ATOM 16457 HA LEU B 508 165.330 221.725 233.382 1.00 46.34 H +ATOM 16458 HB2 LEU B 508 164.567 220.329 235.701 1.00 48.95 H +ATOM 16459 HB3 LEU B 508 163.868 221.658 235.211 1.00 48.95 H +ATOM 16460 HG LEU B 508 163.538 219.084 234.189 1.00 51.35 H +ATOM 16461 HD11 LEU B 508 161.273 219.620 234.321 1.00 51.95 H +ATOM 16462 HD12 LEU B 508 161.982 219.824 235.728 1.00 51.95 H +ATOM 16463 HD13 LEU B 508 161.655 221.081 234.814 1.00 51.95 H +ATOM 16464 HD21 LEU B 508 162.523 219.858 232.247 1.00 55.46 H +ATOM 16465 HD22 LEU B 508 162.934 221.346 232.623 1.00 55.46 H +ATOM 16466 HD23 LEU B 508 164.056 220.278 232.267 1.00 55.46 H +ATOM 16467 N VAL B 509 167.416 221.708 235.751 1.00 37.76 N +ATOM 16468 CA VAL B 509 168.253 222.564 236.593 1.00 43.80 C +ATOM 16469 C VAL B 509 169.570 222.910 235.910 1.00 45.36 C +ATOM 16470 O VAL B 509 170.343 223.718 236.426 1.00 45.43 O +ATOM 16471 CB VAL B 509 168.566 221.917 237.965 1.00 33.58 C +ATOM 16472 CG1 VAL B 509 167.282 221.490 238.657 1.00 32.27 C +ATOM 16473 CG2 VAL B 509 169.523 220.736 237.815 1.00 32.78 C +ATOM 16474 H VAL B 509 167.639 220.878 235.758 1.00 45.32 H +ATOM 16475 HA VAL B 509 167.779 223.394 236.760 1.00 52.56 H +ATOM 16476 HB VAL B 509 168.999 222.577 238.528 1.00 40.29 H +ATOM 16477 HG11 VAL B 509 167.503 221.088 239.512 1.00 38.72 H +ATOM 16478 HG12 VAL B 509 166.723 222.271 238.793 1.00 38.72 H +ATOM 16479 HG13 VAL B 509 166.821 220.846 238.098 1.00 38.72 H +ATOM 16480 HG21 VAL B 509 169.695 220.358 238.691 1.00 39.33 H +ATOM 16481 HG22 VAL B 509 169.114 220.070 237.241 1.00 39.33 H +ATOM 16482 HG23 VAL B 509 170.351 221.050 237.421 1.00 39.33 H +ATOM 16483 N GLU B 510 169.830 222.297 234.759 1.00 45.08 N +ATOM 16484 CA GLU B 510 171.050 222.582 234.010 1.00 38.60 C +ATOM 16485 C GLU B 510 171.145 224.067 233.682 1.00 43.35 C +ATOM 16486 O GLU B 510 170.134 224.729 233.450 1.00 37.35 O +ATOM 16487 CB GLU B 510 171.103 221.759 232.722 1.00 43.91 C +ATOM 16488 CG GLU B 510 172.370 221.975 231.899 1.00 45.40 C +ATOM 16489 CD GLU B 510 172.421 221.108 230.654 1.00 38.43 C +ATOM 16490 OE1 GLU B 510 171.393 220.998 229.955 1.00 36.84 O +ATOM 16491 OE2 GLU B 510 173.493 220.536 230.377 1.00 38.13 O +ATOM 16492 H GLU B 510 169.317 221.713 234.391 1.00 54.10 H +ATOM 16493 HA GLU B 510 171.818 222.343 234.552 1.00 46.32 H +ATOM 16494 HB2 GLU B 510 171.056 220.817 232.952 1.00 52.69 H +ATOM 16495 HB3 GLU B 510 170.345 221.999 232.167 1.00 52.69 H +ATOM 16496 HG2 GLU B 510 172.410 222.903 231.619 1.00 54.48 H +ATOM 16497 HG3 GLU B 510 173.142 221.760 232.445 1.00 54.48 H +ATOM 16498 N LYS B 511 172.366 224.584 233.681 1.00 49.17 N +ATOM 16499 CA LYS B 511 172.607 225.974 233.330 1.00 53.38 C +ATOM 16500 C LYS B 511 172.096 226.260 231.918 1.00 51.97 C +ATOM 16501 O LYS B 511 172.519 225.608 230.963 1.00 41.90 O +ATOM 16502 CB LYS B 511 174.095 226.290 233.420 1.00 53.75 C +ATOM 16503 CG LYS B 511 174.440 227.760 233.233 1.00 68.36 C +ATOM 16504 CD LYS B 511 175.825 227.919 232.630 1.00 82.67 C +ATOM 16505 CE LYS B 511 176.908 227.244 233.471 1.00 94.74 C +ATOM 16506 NZ LYS B 511 178.120 226.949 232.667 1.00 99.42 N +ATOM 16507 H LYS B 511 173.078 224.145 233.882 1.00 59.01 H +ATOM 16508 HA LYS B 511 172.133 226.550 233.950 1.00 64.06 H +ATOM 16509 HB2 LYS B 511 174.417 226.021 234.294 1.00 64.50 H +ATOM 16510 HB3 LYS B 511 174.561 225.789 232.732 1.00 64.50 H +ATOM 16511 HG2 LYS B 511 173.797 228.169 232.633 1.00 82.03 H +ATOM 16512 HG3 LYS B 511 174.429 228.206 234.094 1.00 82.03 H +ATOM 16513 HD2 LYS B 511 175.834 227.517 231.748 1.00 99.21 H +ATOM 16514 HD3 LYS B 511 176.037 228.864 232.568 1.00 99.21 H +ATOM 16515 HE2 LYS B 511 177.162 227.834 234.198 1.00113.69 H +ATOM 16516 HE3 LYS B 511 176.565 226.407 233.822 1.00113.69 H +ATOM 16517 HZ1 LYS B 511 178.734 226.557 233.177 1.00119.30 H +ATOM 16518 HZ2 LYS B 511 177.913 226.404 231.994 1.00119.30 H +ATOM 16519 HZ3 LYS B 511 178.456 227.703 232.336 1.00119.30 H +ATOM 16520 N PRO B 512 171.182 227.232 231.774 1.00 46.64 N +ATOM 16521 CA PRO B 512 170.717 227.555 230.422 1.00 52.15 C +ATOM 16522 C PRO B 512 171.818 228.152 229.556 1.00 48.77 C +ATOM 16523 O PRO B 512 172.777 228.713 230.083 1.00 54.92 O +ATOM 16524 CB PRO B 512 169.608 228.589 230.665 1.00 50.36 C +ATOM 16525 CG PRO B 512 169.248 228.458 232.100 1.00 56.59 C +ATOM 16526 CD PRO B 512 170.484 228.024 232.798 1.00 52.18 C +ATOM 16527 HA PRO B 512 170.345 226.771 229.988 1.00 62.58 H +ATOM 16528 HB2 PRO B 512 169.946 229.479 230.478 1.00 60.43 H +ATOM 16529 HB3 PRO B 512 168.845 228.387 230.101 1.00 60.43 H +ATOM 16530 HG2 PRO B 512 168.949 229.316 232.439 1.00 67.90 H +ATOM 16531 HG3 PRO B 512 168.550 227.791 232.199 1.00 67.90 H +ATOM 16532 HD2 PRO B 512 171.017 228.793 233.053 1.00 62.61 H +ATOM 16533 HD3 PRO B 512 170.265 227.471 233.564 1.00 62.61 H +ATOM 16534 N ARG B 513 171.682 228.028 228.241 1.00 51.64 N +ATOM 16535 CA ARG B 513 172.502 228.809 227.330 1.00 56.93 C +ATOM 16536 C ARG B 513 172.247 230.286 227.626 1.00 60.15 C +ATOM 16537 O ARG B 513 171.207 230.629 228.189 1.00 47.18 O +ATOM 16538 CB ARG B 513 172.174 228.482 225.871 1.00 59.56 C +ATOM 16539 CG ARG B 513 173.244 227.693 225.134 1.00 43.01 C +ATOM 16540 CD ARG B 513 173.410 226.299 225.699 1.00 47.76 C +ATOM 16541 NE ARG B 513 174.295 225.478 224.876 1.00 39.32 N +ATOM 16542 CZ ARG B 513 173.921 224.850 223.765 1.00 44.86 C +ATOM 16543 NH1 ARG B 513 174.799 224.122 223.086 1.00 39.60 N +ATOM 16544 NH2 ARG B 513 172.673 224.946 223.326 1.00 49.72 N +ATOM 16545 H ARG B 513 171.124 227.500 227.854 1.00 61.97 H +ATOM 16546 HA ARG B 513 173.440 228.617 227.487 1.00 68.31 H +ATOM 16547 HB2 ARG B 513 171.357 227.960 225.848 1.00 71.47 H +ATOM 16548 HB3 ARG B 513 172.041 229.315 225.391 1.00 71.47 H +ATOM 16549 HG2 ARG B 513 172.995 227.613 224.200 1.00 51.61 H +ATOM 16550 HG3 ARG B 513 174.093 228.155 225.215 1.00 51.61 H +ATOM 16551 HD2 ARG B 513 173.793 226.359 226.589 1.00 57.31 H +ATOM 16552 HD3 ARG B 513 172.543 225.865 225.737 1.00 57.31 H +ATOM 16553 HE ARG B 513 175.114 225.396 225.127 1.00 47.18 H +ATOM 16554 HH11 ARG B 513 175.610 224.057 223.365 1.00 47.52 H +ATOM 16555 HH12 ARG B 513 174.558 223.718 222.367 1.00 47.52 H +ATOM 16556 HH21 ARG B 513 172.099 225.415 223.762 1.00 59.66 H +ATOM 16557 HH22 ARG B 513 172.438 224.538 222.607 1.00 59.66 H +ATOM 16558 N PRO B 514 173.193 231.165 227.256 1.00 57.88 N +ATOM 16559 CA PRO B 514 173.018 232.601 227.510 1.00 56.64 C +ATOM 16560 C PRO B 514 171.683 233.144 226.998 1.00 50.91 C +ATOM 16561 O PRO B 514 171.431 233.130 225.793 1.00 47.11 O +ATOM 16562 CB PRO B 514 174.193 233.231 226.756 1.00 55.26 C +ATOM 16563 CG PRO B 514 175.233 232.173 226.737 1.00 50.68 C +ATOM 16564 CD PRO B 514 174.493 230.872 226.629 1.00 53.08 C +ATOM 16565 HA PRO B 514 173.103 232.791 228.457 1.00 67.97 H +ATOM 16566 HB2 PRO B 514 173.919 233.461 225.854 1.00 66.31 H +ATOM 16567 HB3 PRO B 514 174.507 234.015 227.233 1.00 66.31 H +ATOM 16568 HG2 PRO B 514 175.813 232.300 225.970 1.00 60.81 H +ATOM 16569 HG3 PRO B 514 175.745 232.206 227.561 1.00 60.81 H +ATOM 16570 HD2 PRO B 514 174.372 230.628 225.698 1.00 63.69 H +ATOM 16571 HD3 PRO B 514 174.957 230.176 227.121 1.00 63.69 H +ATOM 16572 N ASP B 515 170.841 233.599 227.923 1.00 57.21 N +ATOM 16573 CA ASP B 515 169.527 234.149 227.593 1.00 52.95 C +ATOM 16574 C ASP B 515 168.707 233.184 226.737 1.00 53.88 C +ATOM 16575 O ASP B 515 167.949 233.601 225.861 1.00 46.79 O +ATOM 16576 CB ASP B 515 169.682 235.492 226.879 1.00 52.60 C +ATOM 16577 CG ASP B 515 170.181 236.584 227.802 1.00 66.61 C +ATOM 16578 OD1 ASP B 515 169.578 236.769 228.879 1.00 66.05 O +ATOM 16579 OD2 ASP B 515 171.180 237.249 227.454 1.00 63.11 O +ATOM 16580 H ASP B 515 171.012 233.601 228.766 1.00 68.65 H +ATOM 16581 HA ASP B 515 169.038 234.304 228.416 1.00 63.54 H +ATOM 16582 HB2 ASP B 515 170.320 235.395 226.155 1.00 63.12 H +ATOM 16583 HB3 ASP B 515 168.820 235.766 226.528 1.00 63.12 H +ATOM 16584 N ALA B 516 168.861 231.892 227.009 1.00 57.19 N +ATOM 16585 CA ALA B 516 168.163 230.851 226.264 1.00 46.84 C +ATOM 16586 C ALA B 516 167.151 230.125 227.142 1.00 41.50 C +ATOM 16587 O ALA B 516 167.197 230.207 228.371 1.00 35.83 O +ATOM 16588 CB ALA B 516 169.156 229.862 225.683 1.00 41.21 C +ATOM 16589 H ALA B 516 169.374 231.588 227.629 1.00 68.62 H +ATOM 16590 HA ALA B 516 167.682 231.259 225.528 1.00 56.21 H +ATOM 16591 HB1 ALA B 516 168.671 229.179 225.193 1.00 49.45 H +ATOM 16592 HB2 ALA B 516 169.758 230.333 225.087 1.00 49.45 H +ATOM 16593 HB3 ALA B 516 169.657 229.456 226.408 1.00 49.45 H +ATOM 16594 N ILE B 517 166.236 229.413 226.495 1.00 46.58 N +ATOM 16595 CA ILE B 517 165.202 228.666 227.193 1.00 40.81 C +ATOM 16596 C ILE B 517 165.761 227.344 227.722 1.00 41.49 C +ATOM 16597 O ILE B 517 165.277 226.819 228.721 1.00 31.77 O +ATOM 16598 CB ILE B 517 163.988 228.404 226.265 1.00 38.91 C +ATOM 16599 CG1 ILE B 517 162.789 227.911 227.075 1.00 45.91 C +ATOM 16600 CG2 ILE B 517 164.346 227.411 225.165 1.00 53.67 C +ATOM 16601 CD1 ILE B 517 161.497 227.862 226.283 1.00 49.88 C +ATOM 16602 H ILE B 517 166.193 229.348 225.638 1.00 55.89 H +ATOM 16603 HA ILE B 517 164.894 229.187 227.951 1.00 48.97 H +ATOM 16604 HB ILE B 517 163.743 229.243 225.845 1.00 46.69 H +ATOM 16605 HG12 ILE B 517 162.975 227.014 227.395 1.00 55.09 H +ATOM 16606 HG13 ILE B 517 162.653 228.507 227.828 1.00 55.09 H +ATOM 16607 HG21 ILE B 517 163.567 227.269 224.604 1.00 64.40 H +ATOM 16608 HG22 ILE B 517 165.073 227.775 224.636 1.00 64.40 H +ATOM 16609 HG23 ILE B 517 164.619 226.574 225.572 1.00 64.40 H +ATOM 16610 HD11 ILE B 517 160.786 227.542 226.860 1.00 59.85 H +ATOM 16611 HD12 ILE B 517 161.289 228.754 225.964 1.00 59.85 H +ATOM 16612 HD13 ILE B 517 161.611 227.260 225.531 1.00 59.85 H +ATOM 16613 N PHE B 518 166.789 226.823 227.056 1.00 44.91 N +ATOM 16614 CA PHE B 518 167.366 225.520 227.396 1.00 44.60 C +ATOM 16615 C PHE B 518 168.850 225.566 227.720 1.00 44.03 C +ATOM 16616 O PHE B 518 169.559 226.500 227.348 1.00 47.07 O +ATOM 16617 CB PHE B 518 167.177 224.532 226.243 1.00 44.84 C +ATOM 16618 CG PHE B 518 165.751 224.191 225.954 1.00 42.75 C +ATOM 16619 CD1 PHE B 518 164.819 224.096 226.968 1.00 41.15 C +ATOM 16620 CD2 PHE B 518 165.344 223.964 224.655 1.00 49.27 C +ATOM 16621 CE1 PHE B 518 163.509 223.778 226.686 1.00 44.93 C +ATOM 16622 CE2 PHE B 518 164.040 223.643 224.377 1.00 44.59 C +ATOM 16623 CZ PHE B 518 163.121 223.556 225.389 1.00 35.31 C +ATOM 16624 H PHE B 518 167.177 227.210 226.393 1.00 53.89 H +ATOM 16625 HA PHE B 518 166.903 225.166 228.171 1.00 53.52 H +ATOM 16626 HB2 PHE B 518 167.557 224.917 225.438 1.00 53.81 H +ATOM 16627 HB3 PHE B 518 167.639 223.707 226.461 1.00 53.81 H +ATOM 16628 HD1 PHE B 518 165.078 224.247 227.848 1.00 49.39 H +ATOM 16629 HD2 PHE B 518 165.961 224.022 223.962 1.00 59.13 H +ATOM 16630 HE1 PHE B 518 162.887 223.717 227.375 1.00 53.92 H +ATOM 16631 HE2 PHE B 518 163.777 223.493 223.497 1.00 53.51 H +ATOM 16632 HZ PHE B 518 162.237 223.340 225.198 1.00 42.37 H +ATOM 16633 N GLY B 519 169.307 224.524 228.407 1.00 41.09 N +ATOM 16634 CA GLY B 519 170.724 224.259 228.560 1.00 46.22 C +ATOM 16635 C GLY B 519 171.218 223.374 227.428 1.00 38.13 C +ATOM 16636 O GLY B 519 170.431 222.916 226.599 1.00 41.60 O +ATOM 16637 H GLY B 519 168.803 223.948 228.799 1.00 49.31 H +ATOM 16638 HA2 GLY B 519 171.219 225.093 228.546 1.00 55.46 H +ATOM 16639 HA3 GLY B 519 170.887 223.810 229.404 1.00 55.46 H +ATOM 16640 N GLU B 520 172.521 223.125 227.406 1.00 38.83 N +ATOM 16641 CA GLU B 520 173.169 222.373 226.336 1.00 36.94 C +ATOM 16642 C GLU B 520 172.563 220.989 226.078 1.00 38.79 C +ATOM 16643 O GLU B 520 172.365 220.601 224.927 1.00 39.62 O +ATOM 16644 CB GLU B 520 174.655 222.219 226.662 1.00 47.87 C +ATOM 16645 CG GLU B 520 175.472 221.455 225.623 1.00 53.32 C +ATOM 16646 CD GLU B 520 176.885 221.153 226.093 1.00 50.16 C +ATOM 16647 OE1 GLU B 520 177.117 221.123 227.321 1.00 37.84 O +ATOM 16648 OE2 GLU B 520 177.765 220.945 225.232 1.00 50.82 O +ATOM 16649 H GLU B 520 173.067 223.389 228.016 1.00 46.59 H +ATOM 16650 HA GLU B 520 173.098 222.882 225.514 1.00 44.33 H +ATOM 16651 HB2 GLU B 520 175.045 223.103 226.747 1.00 57.44 H +ATOM 16652 HB3 GLU B 520 174.738 221.745 227.505 1.00 57.44 H +ATOM 16653 HG2 GLU B 520 175.032 220.611 225.434 1.00 63.98 H +ATOM 16654 HG3 GLU B 520 175.531 221.987 224.814 1.00 63.98 H +ATOM 16655 N THR B 521 172.280 220.247 227.142 1.00 34.61 N +ATOM 16656 CA THR B 521 171.903 218.842 227.004 1.00 33.38 C +ATOM 16657 C THR B 521 170.519 218.660 226.388 1.00 35.24 C +ATOM 16658 O THR B 521 170.307 217.733 225.609 1.00 28.67 O +ATOM 16659 CB THR B 521 171.935 218.113 228.361 1.00 33.41 C +ATOM 16660 OG1 THR B 521 173.205 218.320 228.991 1.00 29.48 O +ATOM 16661 CG2 THR B 521 171.713 216.619 228.172 1.00 29.30 C +ATOM 16662 H THR B 521 172.298 220.530 227.954 1.00 41.53 H +ATOM 16663 HA THR B 521 172.544 218.406 226.420 1.00 40.06 H +ATOM 16664 HB THR B 521 171.231 218.459 228.931 1.00 40.10 H +ATOM 16665 HG1 THR B 521 173.333 219.141 229.117 1.00 35.38 H +ATOM 16666 HG21 THR B 521 171.735 216.169 229.032 1.00 35.16 H +ATOM 16667 HG22 THR B 521 170.851 216.462 227.757 1.00 35.16 H +ATOM 16668 HG23 THR B 521 172.408 216.250 227.606 1.00 35.16 H +ATOM 16669 N MET B 522 169.576 219.530 226.737 1.00 35.61 N +ATOM 16670 CA MET B 522 168.228 219.447 226.183 1.00 35.12 C +ATOM 16671 C MET B 522 168.268 219.520 224.661 1.00 34.71 C +ATOM 16672 O MET B 522 167.590 218.759 223.973 1.00 23.82 O +ATOM 16673 CB MET B 522 167.343 220.567 226.733 1.00 39.51 C +ATOM 16674 CG MET B 522 165.898 220.526 226.236 1.00 34.39 C +ATOM 16675 SD MET B 522 164.896 219.279 227.068 1.00 32.04 S +ATOM 16676 CE MET B 522 164.693 220.041 228.674 1.00 37.55 C +ATOM 16677 H MET B 522 169.691 220.177 227.293 1.00 42.73 H +ATOM 16678 HA MET B 522 167.833 218.601 226.446 1.00 42.14 H +ATOM 16679 HB2 MET B 522 167.325 220.502 227.700 1.00 47.41 H +ATOM 16680 HB3 MET B 522 167.722 221.420 226.469 1.00 47.41 H +ATOM 16681 HG2 MET B 522 165.487 221.391 226.392 1.00 41.27 H +ATOM 16682 HG3 MET B 522 165.897 220.326 225.287 1.00 41.27 H +ATOM 16683 HE1 MET B 522 164.158 219.458 229.235 1.00 45.06 H +ATOM 16684 HE2 MET B 522 165.568 220.173 229.073 1.00 45.06 H +ATOM 16685 HE3 MET B 522 164.247 220.895 228.564 1.00 45.06 H +ATOM 16686 N VAL B 523 169.076 220.439 224.147 1.00 28.81 N +ATOM 16687 CA VAL B 523 169.164 220.679 222.714 1.00 32.76 C +ATOM 16688 C VAL B 523 169.855 219.530 221.986 1.00 31.09 C +ATOM 16689 O VAL B 523 169.341 219.018 220.993 1.00 30.54 O +ATOM 16690 CB VAL B 523 169.924 221.991 222.419 1.00 36.25 C +ATOM 16691 CG1 VAL B 523 169.990 222.255 220.922 1.00 37.64 C +ATOM 16692 CG2 VAL B 523 169.265 223.158 223.133 1.00 40.36 C +ATOM 16693 H VAL B 523 169.591 220.944 224.615 1.00 34.58 H +ATOM 16694 HA VAL B 523 168.267 220.765 222.354 1.00 39.32 H +ATOM 16695 HB VAL B 523 170.833 221.911 222.750 1.00 43.50 H +ATOM 16696 HG11 VAL B 523 170.472 223.083 220.768 1.00 45.17 H +ATOM 16697 HG12 VAL B 523 170.452 221.518 220.492 1.00 45.17 H +ATOM 16698 HG13 VAL B 523 169.087 222.328 220.574 1.00 45.17 H +ATOM 16699 HG21 VAL B 523 169.758 223.969 222.934 1.00 48.44 H +ATOM 16700 HG22 VAL B 523 168.350 223.242 222.822 1.00 48.44 H +ATOM 16701 HG23 VAL B 523 169.276 222.990 224.088 1.00 48.44 H +ATOM 16702 N GLU B 524 171.025 219.136 222.478 1.00 27.05 N +ATOM 16703 CA GLU B 524 171.851 218.154 221.786 1.00 26.58 C +ATOM 16704 C GLU B 524 171.249 216.752 221.839 1.00 32.16 C +ATOM 16705 O GLU B 524 171.513 215.929 220.964 1.00 32.34 O +ATOM 16706 CB GLU B 524 173.261 218.146 222.376 1.00 34.38 C +ATOM 16707 CG GLU B 524 174.028 219.443 222.143 1.00 36.47 C +ATOM 16708 CD GLU B 524 174.198 219.760 220.670 1.00 43.22 C +ATOM 16709 OE1 GLU B 524 174.582 218.848 219.907 1.00 37.08 O +ATOM 16710 OE2 GLU B 524 173.934 220.915 220.273 1.00 38.08 O +ATOM 16711 H GLU B 524 171.364 219.423 223.214 1.00 32.46 H +ATOM 16712 HA GLU B 524 171.922 218.410 220.853 1.00 31.90 H +ATOM 16713 HB2 GLU B 524 173.198 218.006 223.334 1.00 41.26 H +ATOM 16714 HB3 GLU B 524 173.766 217.425 221.970 1.00 41.26 H +ATOM 16715 HG2 GLU B 524 173.544 220.176 222.554 1.00 43.76 H +ATOM 16716 HG3 GLU B 524 174.910 219.364 222.538 1.00 43.76 H +ATOM 16717 N VAL B 525 170.443 216.487 222.860 1.00 26.52 N +ATOM 16718 CA VAL B 525 169.761 215.203 222.991 1.00 26.72 C +ATOM 16719 C VAL B 525 168.428 215.228 222.248 1.00 27.93 C +ATOM 16720 O VAL B 525 168.047 214.254 221.600 1.00 27.22 O +ATOM 16721 CB VAL B 525 169.517 214.838 224.473 1.00 25.46 C +ATOM 16722 CG1 VAL B 525 168.702 213.554 224.592 1.00 24.16 C +ATOM 16723 CG2 VAL B 525 170.842 214.691 225.207 1.00 28.72 C +ATOM 16724 H VAL B 525 170.271 217.039 223.496 1.00 31.83 H +ATOM 16725 HA VAL B 525 170.313 214.509 222.597 1.00 32.07 H +ATOM 16726 HB VAL B 525 169.016 215.552 224.896 1.00 30.55 H +ATOM 16727 HG11 VAL B 525 168.566 213.353 225.531 1.00 28.99 H +ATOM 16728 HG12 VAL B 525 167.846 213.682 224.154 1.00 28.99 H +ATOM 16729 HG13 VAL B 525 169.188 212.832 224.166 1.00 28.99 H +ATOM 16730 HG21 VAL B 525 170.666 214.462 226.133 1.00 34.46 H +ATOM 16731 HG22 VAL B 525 171.360 213.988 224.785 1.00 34.46 H +ATOM 16732 HG23 VAL B 525 171.324 215.532 225.159 1.00 34.46 H +ATOM 16733 N GLY B 526 167.724 216.350 222.344 1.00 27.25 N +ATOM 16734 CA GLY B 526 166.400 216.472 221.763 1.00 26.15 C +ATOM 16735 C GLY B 526 166.381 216.624 220.253 1.00 25.50 C +ATOM 16736 O GLY B 526 165.551 216.010 219.584 1.00 22.06 O +ATOM 16737 H GLY B 526 167.997 217.060 222.745 1.00 32.70 H +ATOM 16738 HA2 GLY B 526 165.881 215.685 221.992 1.00 31.38 H +ATOM 16739 HA3 GLY B 526 165.957 217.245 222.147 1.00 31.38 H +ATOM 16740 N ALA B 527 167.292 217.435 219.722 1.00 22.04 N +ATOM 16741 CA ALA B 527 167.297 217.768 218.297 1.00 27.89 C +ATOM 16742 C ALA B 527 167.352 216.536 217.384 1.00 20.72 C +ATOM 16743 O ALA B 527 166.606 216.461 216.415 1.00 24.50 O +ATOM 16744 CB ALA B 527 168.461 218.717 217.980 1.00 27.33 C +ATOM 16745 H ALA B 527 167.925 217.810 220.169 1.00 26.45 H +ATOM 16746 HA ALA B 527 166.475 218.240 218.093 1.00 33.47 H +ATOM 16747 HB1 ALA B 527 168.448 218.926 217.032 1.00 32.80 H +ATOM 16748 HB2 ALA B 527 168.356 219.529 218.500 1.00 32.80 H +ATOM 16749 HB3 ALA B 527 169.296 218.280 218.211 1.00 32.80 H +ATOM 16750 N PRO B 528 168.230 215.565 217.684 1.00 23.33 N +ATOM 16751 CA PRO B 528 168.280 214.368 216.837 1.00 24.68 C +ATOM 16752 C PRO B 528 166.970 213.578 216.802 1.00 24.44 C +ATOM 16753 O PRO B 528 166.558 213.124 215.736 1.00 23.13 O +ATOM 16754 CB PRO B 528 169.393 213.537 217.480 1.00 25.93 C +ATOM 16755 CG PRO B 528 170.234 214.523 218.185 1.00 27.97 C +ATOM 16756 CD PRO B 528 169.288 215.543 218.709 1.00 25.38 C +ATOM 16757 HA PRO B 528 168.537 214.605 215.932 1.00 29.61 H +ATOM 16758 HB2 PRO B 528 169.010 212.902 218.105 1.00 31.12 H +ATOM 16759 HB3 PRO B 528 169.902 213.080 216.792 1.00 31.12 H +ATOM 16760 HG2 PRO B 528 170.707 214.089 218.912 1.00 33.56 H +ATOM 16761 HG3 PRO B 528 170.859 214.924 217.561 1.00 33.56 H +ATOM 16762 HD2 PRO B 528 168.926 215.263 219.564 1.00 30.46 H +ATOM 16763 HD3 PRO B 528 169.721 216.409 218.769 1.00 30.46 H +ATOM 16764 N PHE B 529 166.337 213.405 217.958 1.00 23.94 N +ATOM 16765 CA PHE B 529 165.032 212.762 218.022 1.00 27.37 C +ATOM 16766 C PHE B 529 164.016 213.505 217.156 1.00 23.12 C +ATOM 16767 O PHE B 529 163.275 212.895 216.388 1.00 26.28 O +ATOM 16768 CB PHE B 529 164.528 212.706 219.466 1.00 24.49 C +ATOM 16769 CG PHE B 529 165.243 211.710 220.333 1.00 24.84 C +ATOM 16770 CD1 PHE B 529 165.453 210.413 219.901 1.00 28.83 C +ATOM 16771 CD2 PHE B 529 165.697 212.073 221.590 1.00 27.15 C +ATOM 16772 CE1 PHE B 529 166.103 209.497 220.706 1.00 21.01 C +ATOM 16773 CE2 PHE B 529 166.347 211.160 222.397 1.00 25.17 C +ATOM 16774 CZ PHE B 529 166.550 209.870 221.953 1.00 25.14 C +ATOM 16775 H PHE B 529 166.645 213.652 218.722 1.00 28.73 H +ATOM 16776 HA PHE B 529 165.107 211.854 217.692 1.00 32.84 H +ATOM 16777 HB2 PHE B 529 164.639 213.582 219.868 1.00 29.39 H +ATOM 16778 HB3 PHE B 529 163.587 212.468 219.457 1.00 29.39 H +ATOM 16779 HD1 PHE B 529 165.151 210.154 219.060 1.00 34.60 H +ATOM 16780 HD2 PHE B 529 165.561 212.940 221.895 1.00 32.59 H +ATOM 16781 HE1 PHE B 529 166.240 208.628 220.404 1.00 25.21 H +ATOM 16782 HE2 PHE B 529 166.649 211.416 223.239 1.00 30.20 H +ATOM 16783 HZ PHE B 529 166.990 209.255 222.494 1.00 30.17 H +ATOM 16784 N SER B 530 163.990 214.824 217.293 1.00 25.63 N +ATOM 16785 CA SER B 530 163.041 215.657 216.571 1.00 25.07 C +ATOM 16786 C SER B 530 163.202 215.527 215.064 1.00 24.37 C +ATOM 16787 O SER B 530 162.231 215.298 214.344 1.00 19.06 O +ATOM 16788 CB SER B 530 163.205 217.120 216.981 1.00 24.21 C +ATOM 16789 OG SER B 530 162.310 217.953 216.262 1.00 27.65 O +ATOM 16790 H SER B 530 164.521 215.266 217.806 1.00 30.75 H +ATOM 16791 HA SER B 530 162.140 215.380 216.801 1.00 30.09 H +ATOM 16792 HB2 SER B 530 163.021 217.204 217.929 1.00 29.05 H +ATOM 16793 HB3 SER B 530 164.115 217.400 216.793 1.00 29.05 H +ATOM 16794 HG SER B 530 162.411 218.753 216.497 1.00 33.18 H +ATOM 16795 N LEU B 531 164.431 215.676 214.585 1.00 21.01 N +ATOM 16796 CA LEU B 531 164.684 215.696 213.154 1.00 25.34 C +ATOM 16797 C LEU B 531 164.416 214.344 212.522 1.00 25.65 C +ATOM 16798 O LEU B 531 163.990 214.271 211.366 1.00 30.23 O +ATOM 16799 CB LEU B 531 166.123 216.145 212.873 1.00 26.90 C +ATOM 16800 CG LEU B 531 166.424 217.601 213.251 1.00 22.35 C +ATOM 16801 CD1 LEU B 531 167.891 217.908 213.050 1.00 33.89 C +ATOM 16802 CD2 LEU B 531 165.564 218.569 212.445 1.00 28.45 C +ATOM 16803 H LEU B 531 165.135 215.769 215.069 1.00 25.22 H +ATOM 16804 HA LEU B 531 164.088 216.339 212.741 1.00 30.40 H +ATOM 16805 HB2 LEU B 531 166.728 215.579 213.377 1.00 32.28 H +ATOM 16806 HB3 LEU B 531 166.298 216.045 211.924 1.00 32.28 H +ATOM 16807 HG LEU B 531 166.219 217.730 214.190 1.00 26.82 H +ATOM 16808 HD11 LEU B 531 168.056 218.832 213.295 1.00 40.67 H +ATOM 16809 HD12 LEU B 531 168.417 217.317 213.612 1.00 40.67 H +ATOM 16810 HD13 LEU B 531 168.118 217.767 212.117 1.00 40.67 H +ATOM 16811 HD21 LEU B 531 165.780 219.477 212.709 1.00 34.15 H +ATOM 16812 HD22 LEU B 531 165.749 218.445 211.501 1.00 34.15 H +ATOM 16813 HD23 LEU B 531 164.629 218.385 212.626 1.00 34.15 H +ATOM 16814 N LYS B 532 164.652 213.272 213.267 1.00 22.86 N +ATOM 16815 CA LYS B 532 164.378 211.943 212.737 1.00 24.78 C +ATOM 16816 C LYS B 532 162.870 211.747 212.553 1.00 26.86 C +ATOM 16817 O LYS B 532 162.429 211.129 211.586 1.00 32.65 O +ATOM 16818 CB LYS B 532 164.948 210.855 213.656 1.00 24.29 C +ATOM 16819 CG LYS B 532 165.858 209.808 212.997 1.00 30.23 C +ATOM 16820 CD LYS B 532 165.627 209.673 211.494 1.00 27.68 C +ATOM 16821 CE LYS B 532 166.231 208.418 210.933 1.00 26.12 C +ATOM 16822 NZ LYS B 532 165.423 207.236 211.263 1.00 33.73 N +ATOM 16823 H LYS B 532 164.964 213.285 214.068 1.00 27.43 H +ATOM 16824 HA LYS B 532 164.802 211.855 211.868 1.00 29.73 H +ATOM 16825 HB2 LYS B 532 165.466 211.287 214.353 1.00 29.14 H +ATOM 16826 HB3 LYS B 532 164.205 210.378 214.058 1.00 29.14 H +ATOM 16827 HG2 LYS B 532 166.783 210.064 213.136 1.00 36.27 H +ATOM 16828 HG3 LYS B 532 165.689 208.944 213.404 1.00 36.27 H +ATOM 16829 HD2 LYS B 532 164.673 209.652 211.320 1.00 33.22 H +ATOM 16830 HD3 LYS B 532 166.032 210.430 211.042 1.00 33.22 H +ATOM 16831 HE2 LYS B 532 166.281 208.492 209.967 1.00 31.34 H +ATOM 16832 HE3 LYS B 532 167.117 208.294 211.307 1.00 31.34 H +ATOM 16833 HZ1 LYS B 532 165.799 206.506 210.921 1.00 40.47 H +ATOM 16834 HZ2 LYS B 532 165.365 207.145 212.146 1.00 40.47 H +ATOM 16835 HZ3 LYS B 532 164.604 207.324 210.927 1.00 40.47 H +ATOM 16836 N GLY B 533 162.087 212.266 213.491 1.00 21.25 N +ATOM 16837 CA GLY B 533 160.642 212.154 213.417 1.00 20.38 C +ATOM 16838 C GLY B 533 160.043 213.000 212.309 1.00 27.36 C +ATOM 16839 O GLY B 533 159.007 212.656 211.739 1.00 24.37 O +ATOM 16840 H GLY B 533 162.372 212.689 214.183 1.00 25.51 H +ATOM 16841 HA2 GLY B 533 160.399 211.228 213.260 1.00 24.45 H +ATOM 16842 HA3 GLY B 533 160.254 212.435 214.260 1.00 24.45 H +ATOM 16843 N LEU B 534 160.694 214.113 211.996 1.00 23.55 N +ATOM 16844 CA LEU B 534 160.212 215.006 210.953 1.00 20.26 C +ATOM 16845 C LEU B 534 160.619 214.536 209.556 1.00 25.01 C +ATOM 16846 O LEU B 534 159.764 214.335 208.694 1.00 23.96 O +ATOM 16847 CB LEU B 534 160.724 216.425 211.206 1.00 22.91 C +ATOM 16848 CG LEU B 534 160.197 217.052 212.501 1.00 24.34 C +ATOM 16849 CD1 LEU B 534 160.985 218.298 212.859 1.00 29.07 C +ATOM 16850 CD2 LEU B 534 158.711 217.367 212.382 1.00 23.88 C +ATOM 16851 H LEU B 534 161.420 214.375 212.375 1.00 28.26 H +ATOM 16852 HA LEU B 534 159.243 215.031 210.986 1.00 24.31 H +ATOM 16853 HB2 LEU B 534 161.692 216.403 211.260 1.00 27.49 H +ATOM 16854 HB3 LEU B 534 160.448 216.993 210.469 1.00 27.49 H +ATOM 16855 HG LEU B 534 160.308 216.414 213.223 1.00 29.20 H +ATOM 16856 HD11 LEU B 534 160.630 218.670 213.681 1.00 34.89 H +ATOM 16857 HD12 LEU B 534 161.917 218.057 212.981 1.00 34.89 H +ATOM 16858 HD13 LEU B 534 160.901 218.942 212.139 1.00 34.89 H +ATOM 16859 HD21 LEU B 534 158.405 217.762 213.213 1.00 28.66 H +ATOM 16860 HD22 LEU B 534 158.578 217.990 211.650 1.00 28.66 H +ATOM 16861 HD23 LEU B 534 158.227 216.544 212.207 1.00 28.66 H +ATOM 16862 N MET B 535 161.917 214.351 209.332 1.00 28.67 N +ATOM 16863 CA MET B 535 162.408 213.999 208.004 1.00 29.78 C +ATOM 16864 C MET B 535 162.248 212.506 207.718 1.00 27.42 C +ATOM 16865 O MET B 535 162.241 212.087 206.563 1.00 26.87 O +ATOM 16866 CB MET B 535 163.874 214.411 207.841 1.00 27.44 C +ATOM 16867 CG MET B 535 164.129 215.912 207.958 1.00 27.80 C +ATOM 16868 SD MET B 535 163.039 216.955 206.959 1.00 29.23 S +ATOM 16869 CE MET B 535 163.403 216.375 205.305 1.00 26.84 C +ATOM 16870 H MET B 535 162.532 214.423 209.930 1.00 34.40 H +ATOM 16871 HA MET B 535 161.893 214.493 207.347 1.00 35.73 H +ATOM 16872 HB2 MET B 535 164.398 213.969 208.527 1.00 32.93 H +ATOM 16873 HB3 MET B 535 164.180 214.128 206.965 1.00 32.93 H +ATOM 16874 HG2 MET B 535 164.013 216.173 208.885 1.00 33.36 H +ATOM 16875 HG3 MET B 535 165.041 216.093 207.681 1.00 33.36 H +ATOM 16876 HE1 MET B 535 162.865 216.873 204.670 1.00 32.21 H +ATOM 16877 HE2 MET B 535 164.346 216.515 205.122 1.00 32.21 H +ATOM 16878 HE3 MET B 535 163.192 215.430 205.249 1.00 32.21 H +ATOM 16879 N GLY B 536 162.113 211.708 208.772 1.00 28.96 N +ATOM 16880 CA GLY B 536 161.920 210.276 208.621 1.00 23.70 C +ATOM 16881 C GLY B 536 160.501 209.907 208.228 1.00 23.28 C +ATOM 16882 O GLY B 536 160.173 208.728 208.108 1.00 30.38 O +ATOM 16883 H GLY B 536 162.129 211.975 209.589 1.00 34.75 H +ATOM 16884 HA2 GLY B 536 162.523 209.940 207.939 1.00 28.44 H +ATOM 16885 HA3 GLY B 536 162.130 209.834 209.459 1.00 28.44 H +ATOM 16886 N ASN B 537 159.655 210.912 208.031 1.00 35.64 N +ATOM 16887 CA ASN B 537 158.275 210.682 207.624 1.00 28.83 C +ATOM 16888 C ASN B 537 158.206 210.251 206.163 1.00 33.72 C +ATOM 16889 O ASN B 537 158.958 210.753 205.325 1.00 30.51 O +ATOM 16890 CB ASN B 537 157.442 211.943 207.848 1.00 32.13 C +ATOM 16891 CG ASN B 537 155.955 211.693 207.701 1.00 27.23 C +ATOM 16892 OD1 ASN B 537 155.449 211.518 206.595 1.00 28.98 O +ATOM 16893 ND2 ASN B 537 155.246 211.682 208.822 1.00 24.43 N +ATOM 16894 H ASN B 537 159.858 211.742 208.128 1.00 42.77 H +ATOM 16895 HA ASN B 537 157.898 209.971 208.166 1.00 34.60 H +ATOM 16896 HB2 ASN B 537 157.604 212.274 208.745 1.00 38.55 H +ATOM 16897 HB3 ASN B 537 157.700 212.612 207.195 1.00 38.55 H +ATOM 16898 HD21 ASN B 537 154.397 211.544 208.792 1.00 29.32 H +ATOM 16899 HD22 ASN B 537 155.634 211.812 209.578 1.00 29.32 H +ATOM 16900 N VAL B 538 157.301 209.325 205.864 1.00 27.18 N +ATOM 16901 CA VAL B 538 157.200 208.732 204.531 1.00 25.62 C +ATOM 16902 C VAL B 538 157.003 209.761 203.412 1.00 29.64 C +ATOM 16903 O VAL B 538 157.472 209.548 202.297 1.00 24.48 O +ATOM 16904 CB VAL B 538 156.037 207.694 204.469 1.00 30.14 C +ATOM 16905 CG1 VAL B 538 154.726 208.314 204.907 1.00 25.01 C +ATOM 16906 CG2 VAL B 538 155.905 207.094 203.071 1.00 27.96 C +ATOM 16907 H VAL B 538 156.726 209.017 206.424 1.00 32.62 H +ATOM 16908 HA VAL B 538 158.024 208.256 204.345 1.00 30.74 H +ATOM 16909 HB VAL B 538 156.237 206.969 205.081 1.00 36.17 H +ATOM 16910 HG11 VAL B 538 154.027 207.643 204.856 1.00 30.01 H +ATOM 16911 HG12 VAL B 538 154.816 208.630 205.820 1.00 30.01 H +ATOM 16912 HG13 VAL B 538 154.516 209.057 204.319 1.00 30.01 H +ATOM 16913 HG21 VAL B 538 155.175 206.455 203.070 1.00 33.56 H +ATOM 16914 HG22 VAL B 538 155.724 207.806 202.438 1.00 33.56 H +ATOM 16915 HG23 VAL B 538 156.735 206.648 202.840 1.00 33.56 H +ATOM 16916 N ILE B 539 156.320 210.869 203.693 1.00 22.65 N +ATOM 16917 CA ILE B 539 156.054 211.845 202.642 1.00 26.79 C +ATOM 16918 C ILE B 539 157.342 212.546 202.210 1.00 28.75 C +ATOM 16919 O ILE B 539 157.391 213.165 201.146 1.00 31.37 O +ATOM 16920 CB ILE B 539 155.004 212.909 203.061 1.00 25.04 C +ATOM 16921 CG1 ILE B 539 155.536 213.845 204.156 1.00 32.35 C +ATOM 16922 CG2 ILE B 539 153.710 212.237 203.518 1.00 31.06 C +ATOM 16923 CD1 ILE B 539 154.802 215.163 204.214 1.00 32.52 C +ATOM 16924 H ILE B 539 156.007 211.075 204.467 1.00 27.17 H +ATOM 16925 HA ILE B 539 155.702 211.376 201.869 1.00 32.14 H +ATOM 16926 HB ILE B 539 154.800 213.449 202.281 1.00 30.05 H +ATOM 16927 HG12 ILE B 539 155.438 213.409 205.018 1.00 38.82 H +ATOM 16928 HG13 ILE B 539 156.472 214.031 203.984 1.00 38.82 H +ATOM 16929 HG21 ILE B 539 153.073 212.922 203.774 1.00 37.28 H +ATOM 16930 HG22 ILE B 539 153.354 211.710 202.787 1.00 37.28 H +ATOM 16931 HG23 ILE B 539 153.903 211.665 204.277 1.00 37.28 H +ATOM 16932 HD11 ILE B 539 155.184 215.705 204.923 1.00 39.02 H +ATOM 16933 HD12 ILE B 539 154.899 215.616 203.362 1.00 39.02 H +ATOM 16934 HD13 ILE B 539 153.864 214.994 204.395 1.00 39.02 H +ATOM 16935 N CYS B 540 158.382 212.443 203.033 1.00 28.05 N +ATOM 16936 CA CYS B 540 159.680 213.027 202.710 1.00 25.76 C +ATOM 16937 C CYS B 540 160.515 212.094 201.844 1.00 27.40 C +ATOM 16938 O CYS B 540 161.581 212.484 201.367 1.00 30.07 O +ATOM 16939 CB CYS B 540 160.457 213.365 203.983 1.00 30.29 C +ATOM 16940 SG CYS B 540 159.650 214.557 205.050 1.00 29.66 S +ATOM 16941 H CYS B 540 158.361 212.036 203.790 1.00 33.65 H +ATOM 16942 HA CYS B 540 159.541 213.850 202.216 1.00 30.92 H +ATOM 16943 HB2 CYS B 540 160.585 212.551 204.495 1.00 36.35 H +ATOM 16944 HB3 CYS B 540 161.319 213.732 203.732 1.00 36.35 H +ATOM 16945 HG CYS B 540 160.339 214.750 206.012 1.00 35.59 H +ATOM 16946 N SER B 541 160.043 210.865 201.649 1.00 32.45 N +ATOM 16947 CA SER B 541 160.765 209.910 200.816 1.00 33.89 C +ATOM 16948 C SER B 541 160.548 210.261 199.340 1.00 33.35 C +ATOM 16949 O SER B 541 159.501 210.796 198.980 1.00 28.87 O +ATOM 16950 CB SER B 541 160.313 208.475 201.106 1.00 25.62 C +ATOM 16951 OG SER B 541 159.031 208.207 200.566 1.00 28.26 O +ATOM 16952 H SER B 541 159.312 210.562 201.986 1.00 38.94 H +ATOM 16953 HA SER B 541 161.714 209.973 201.006 1.00 40.67 H +ATOM 16954 HB2 SER B 541 160.953 207.861 200.713 1.00 30.74 H +ATOM 16955 HB3 SER B 541 160.281 208.346 202.067 1.00 30.74 H +ATOM 16956 HG SER B 541 158.464 208.730 200.899 1.00 33.92 H +ATOM 16957 N PRO B 542 161.544 209.972 198.484 1.00 32.52 N +ATOM 16958 CA PRO B 542 161.483 210.359 197.067 1.00 31.65 C +ATOM 16959 C PRO B 542 160.254 209.852 196.313 1.00 32.47 C +ATOM 16960 O PRO B 542 159.765 210.557 195.431 1.00 30.27 O +ATOM 16961 CB PRO B 542 162.767 209.750 196.476 1.00 30.99 C +ATOM 16962 CG PRO B 542 163.366 208.896 197.548 1.00 30.73 C +ATOM 16963 CD PRO B 542 162.860 209.419 198.840 1.00 36.23 C +ATOM 16964 HA PRO B 542 161.527 211.324 196.986 1.00 37.98 H +ATOM 16965 HB2 PRO B 542 162.541 209.212 195.701 1.00 37.19 H +ATOM 16966 HB3 PRO B 542 163.378 210.461 196.229 1.00 37.19 H +ATOM 16967 HG2 PRO B 542 163.085 207.976 197.421 1.00 36.88 H +ATOM 16968 HG3 PRO B 542 164.333 208.963 197.510 1.00 36.88 H +ATOM 16969 HD2 PRO B 542 162.762 208.698 199.482 1.00 43.48 H +ATOM 16970 HD3 PRO B 542 163.443 210.118 199.175 1.00 43.48 H +ATOM 16971 N ALA B 543 159.754 208.666 196.642 1.00 29.82 N +ATOM 16972 CA ALA B 543 158.591 208.130 195.939 1.00 26.04 C +ATOM 16973 C ALA B 543 157.326 208.924 196.262 1.00 30.02 C +ATOM 16974 O ALA B 543 156.384 208.941 195.471 1.00 32.12 O +ATOM 16975 CB ALA B 543 158.392 206.668 196.276 1.00 32.10 C +ATOM 16976 H ALA B 543 160.064 208.156 197.261 1.00 35.78 H +ATOM 16977 HA ALA B 543 158.746 208.196 194.984 1.00 31.25 H +ATOM 16978 HB1 ALA B 543 157.616 206.337 195.798 1.00 38.52 H +ATOM 16979 HB2 ALA B 543 159.182 206.173 196.009 1.00 38.52 H +ATOM 16980 HB3 ALA B 543 158.254 206.581 197.232 1.00 38.52 H +ATOM 16981 N TYR B 544 157.314 209.587 197.417 1.00 27.48 N +ATOM 16982 CA TYR B 544 156.150 210.352 197.864 1.00 26.82 C +ATOM 16983 C TYR B 544 156.244 211.853 197.575 1.00 33.57 C +ATOM 16984 O TYR B 544 155.234 212.498 197.292 1.00 28.90 O +ATOM 16985 CB TYR B 544 155.941 210.152 199.364 1.00 27.18 C +ATOM 16986 CG TYR B 544 155.159 208.911 199.732 1.00 28.68 C +ATOM 16987 CD1 TYR B 544 155.718 207.648 199.607 1.00 24.73 C +ATOM 16988 CD2 TYR B 544 153.862 209.007 200.223 1.00 27.66 C +ATOM 16989 CE1 TYR B 544 155.009 206.518 199.950 1.00 25.16 C +ATOM 16990 CE2 TYR B 544 153.147 207.883 200.567 1.00 24.04 C +ATOM 16991 CZ TYR B 544 153.723 206.641 200.431 1.00 26.38 C +ATOM 16992 OH TYR B 544 153.013 205.515 200.775 1.00 29.81 O +ATOM 16993 H TYR B 544 157.976 209.609 197.966 1.00 32.97 H +ATOM 16994 HA TYR B 544 155.363 210.014 197.409 1.00 32.19 H +ATOM 16995 HB2 TYR B 544 156.809 210.090 199.792 1.00 32.61 H +ATOM 16996 HB3 TYR B 544 155.458 210.917 199.714 1.00 32.61 H +ATOM 16997 HD1 TYR B 544 156.585 207.562 199.283 1.00 29.67 H +ATOM 16998 HD2 TYR B 544 153.470 209.846 200.317 1.00 33.19 H +ATOM 16999 HE1 TYR B 544 155.396 205.677 199.859 1.00 30.20 H +ATOM 17000 HE2 TYR B 544 152.280 207.963 200.892 1.00 28.85 H +ATOM 17001 HH TYR B 544 153.479 204.829 200.642 1.00 35.77 H +ATOM 17002 N TRP B 545 157.447 212.412 197.655 1.00 32.45 N +ATOM 17003 CA TRP B 545 157.611 213.863 197.587 1.00 38.60 C +ATOM 17004 C TRP B 545 157.520 214.381 196.157 1.00 35.79 C +ATOM 17005 O TRP B 545 158.531 214.623 195.498 1.00 34.26 O +ATOM 17006 CB TRP B 545 158.944 214.278 198.211 1.00 33.57 C +ATOM 17007 CG TRP B 545 159.085 215.760 198.389 1.00 30.18 C +ATOM 17008 CD1 TRP B 545 159.956 216.584 197.740 1.00 32.76 C +ATOM 17009 CD2 TRP B 545 158.328 216.594 199.273 1.00 30.68 C +ATOM 17010 NE1 TRP B 545 159.792 217.877 198.168 1.00 32.44 N +ATOM 17011 CE2 TRP B 545 158.798 217.911 199.110 1.00 31.30 C +ATOM 17012 CE3 TRP B 545 157.299 216.355 200.190 1.00 29.95 C +ATOM 17013 CZ2 TRP B 545 158.276 218.985 199.827 1.00 36.26 C +ATOM 17014 CZ3 TRP B 545 156.783 217.420 200.902 1.00 29.16 C +ATOM 17015 CH2 TRP B 545 157.272 218.719 200.717 1.00 35.26 C +ATOM 17016 H TRP B 545 158.183 211.976 197.749 1.00 38.94 H +ATOM 17017 HA TRP B 545 156.902 214.281 198.099 1.00 46.32 H +ATOM 17018 HB2 TRP B 545 159.024 213.864 199.084 1.00 40.28 H +ATOM 17019 HB3 TRP B 545 159.666 213.977 197.637 1.00 40.28 H +ATOM 17020 HD1 TRP B 545 160.574 216.309 197.102 1.00 39.31 H +ATOM 17021 HE1 TRP B 545 160.240 218.556 197.889 1.00 38.93 H +ATOM 17022 HE3 TRP B 545 156.971 215.494 200.320 1.00 35.94 H +ATOM 17023 HZ2 TRP B 545 158.598 219.849 199.706 1.00 43.51 H +ATOM 17024 HZ3 TRP B 545 156.099 217.272 201.514 1.00 34.99 H +ATOM 17025 HH2 TRP B 545 156.904 219.418 201.209 1.00 42.31 H +ATOM 17026 N LYS B 546 156.291 214.565 195.693 1.00 44.40 N +ATOM 17027 CA LYS B 546 156.040 215.051 194.346 1.00 38.29 C +ATOM 17028 C LYS B 546 154.592 215.524 194.249 1.00 42.77 C +ATOM 17029 O LYS B 546 153.741 215.051 195.000 1.00 43.75 O +ATOM 17030 CB LYS B 546 156.331 213.958 193.318 1.00 32.52 C +ATOM 17031 CG LYS B 546 155.557 212.674 193.550 1.00 33.89 C +ATOM 17032 CD LYS B 546 155.932 211.583 192.554 1.00 37.31 C +ATOM 17033 CE LYS B 546 157.367 211.123 192.727 1.00 26.43 C +ATOM 17034 NZ LYS B 546 157.654 209.911 191.914 1.00 39.09 N +ATOM 17035 H LYS B 546 155.576 214.413 196.146 1.00 53.28 H +ATOM 17036 HA LYS B 546 156.622 215.806 194.163 1.00 45.95 H +ATOM 17037 HB2 LYS B 546 156.099 214.289 192.436 1.00 39.02 H +ATOM 17038 HB3 LYS B 546 157.277 213.743 193.349 1.00 39.02 H +ATOM 17039 HG2 LYS B 546 155.747 212.346 194.443 1.00 40.67 H +ATOM 17040 HG3 LYS B 546 154.608 212.855 193.456 1.00 40.67 H +ATOM 17041 HD2 LYS B 546 155.352 210.818 192.687 1.00 44.78 H +ATOM 17042 HD3 LYS B 546 155.832 211.927 191.653 1.00 44.78 H +ATOM 17043 HE2 LYS B 546 157.967 211.830 192.440 1.00 31.72 H +ATOM 17044 HE3 LYS B 546 157.524 210.908 193.660 1.00 31.72 H +ATOM 17045 HZ1 LYS B 546 158.499 209.659 192.031 1.00 46.90 H +ATOM 17046 HZ2 LYS B 546 157.117 209.245 192.162 1.00 46.90 H +ATOM 17047 HZ3 LYS B 546 157.520 210.084 191.052 1.00 46.90 H +ATOM 17048 N PRO B 547 154.309 216.470 193.336 1.00 41.64 N +ATOM 17049 CA PRO B 547 152.980 217.085 193.218 1.00 40.06 C +ATOM 17050 C PRO B 547 151.811 216.102 193.191 1.00 33.40 C +ATOM 17051 O PRO B 547 150.806 216.358 193.850 1.00 35.59 O +ATOM 17052 CB PRO B 547 153.058 217.848 191.883 1.00 44.58 C +ATOM 17053 CG PRO B 547 154.455 217.658 191.360 1.00 46.82 C +ATOM 17054 CD PRO B 547 155.290 217.142 192.471 1.00 39.57 C +ATOM 17055 HA PRO B 547 152.843 217.720 193.938 1.00 48.08 H +ATOM 17056 HB2 PRO B 547 152.411 217.478 191.263 1.00 53.49 H +ATOM 17057 HB3 PRO B 547 152.880 218.789 192.039 1.00 53.49 H +ATOM 17058 HG2 PRO B 547 154.438 217.019 190.629 1.00 56.18 H +ATOM 17059 HG3 PRO B 547 154.799 218.511 191.051 1.00 56.18 H +ATOM 17060 HD2 PRO B 547 155.941 216.505 192.138 1.00 47.48 H +ATOM 17061 HD3 PRO B 547 155.715 217.874 192.944 1.00 47.48 H +ATOM 17062 N SER B 548 151.939 215.005 192.449 1.00 38.11 N +ATOM 17063 CA SER B 548 150.826 214.076 192.257 1.00 34.27 C +ATOM 17064 C SER B 548 150.349 213.467 193.568 1.00 38.47 C +ATOM 17065 O SER B 548 149.186 213.091 193.698 1.00 34.98 O +ATOM 17066 CB SER B 548 151.221 212.960 191.287 1.00 33.14 C +ATOM 17067 OG SER B 548 152.411 212.315 191.699 1.00 39.16 O +ATOM 17068 H SER B 548 152.662 214.774 192.045 1.00 45.73 H +ATOM 17069 HA SER B 548 150.081 214.559 191.866 1.00 41.13 H +ATOM 17070 HB2 SER B 548 150.505 212.307 191.253 1.00 39.77 H +ATOM 17071 HB3 SER B 548 151.360 213.344 190.407 1.00 39.77 H +ATOM 17072 HG SER B 548 153.041 212.869 191.732 1.00 47.00 H +ATOM 17073 N THR B 549 151.254 213.371 194.535 1.00 38.28 N +ATOM 17074 CA THR B 549 150.927 212.822 195.845 1.00 38.46 C +ATOM 17075 C THR B 549 149.890 213.684 196.559 1.00 35.60 C +ATOM 17076 O THR B 549 149.067 213.176 197.321 1.00 26.28 O +ATOM 17077 CB THR B 549 152.193 212.701 196.724 1.00 35.07 C +ATOM 17078 OG1 THR B 549 153.090 211.754 196.136 1.00 31.99 O +ATOM 17079 CG2 THR B 549 151.853 212.250 198.139 1.00 33.04 C +ATOM 17080 H THR B 549 152.073 213.621 194.456 1.00 45.93 H +ATOM 17081 HA THR B 549 150.554 211.934 195.732 1.00 46.16 H +ATOM 17082 HB THR B 549 152.630 213.566 196.777 1.00 42.09 H +ATOM 17083 HG1 THR B 549 153.781 211.682 196.608 1.00 38.39 H +ATOM 17084 HG21 THR B 549 152.663 212.183 198.669 1.00 39.65 H +ATOM 17085 HG22 THR B 549 151.256 212.890 198.557 1.00 39.65 H +ATOM 17086 HG23 THR B 549 151.420 211.383 198.115 1.00 39.65 H +ATOM 17087 N PHE B 550 149.928 214.986 196.294 1.00 33.75 N +ATOM 17088 CA PHE B 550 149.105 215.948 197.018 1.00 32.71 C +ATOM 17089 C PHE B 550 148.040 216.587 196.133 1.00 30.99 C +ATOM 17090 O PHE B 550 147.544 217.669 196.436 1.00 39.09 O +ATOM 17091 CB PHE B 550 149.995 217.027 197.628 1.00 39.88 C +ATOM 17092 CG PHE B 550 151.160 216.478 198.397 1.00 44.39 C +ATOM 17093 CD1 PHE B 550 150.998 216.017 199.692 1.00 38.65 C +ATOM 17094 CD2 PHE B 550 152.418 216.415 197.821 1.00 42.02 C +ATOM 17095 CE1 PHE B 550 152.069 215.508 200.398 1.00 38.64 C +ATOM 17096 CE2 PHE B 550 153.490 215.909 198.524 1.00 41.65 C +ATOM 17097 CZ PHE B 550 153.315 215.455 199.812 1.00 43.82 C +ATOM 17098 H PHE B 550 150.429 215.341 195.692 1.00 40.50 H +ATOM 17099 HA PHE B 550 148.653 215.490 197.743 1.00 39.25 H +ATOM 17100 HB2 PHE B 550 150.344 217.585 196.916 1.00 47.86 H +ATOM 17101 HB3 PHE B 550 149.463 217.564 198.237 1.00 47.86 H +ATOM 17102 HD1 PHE B 550 150.158 216.051 200.090 1.00 46.38 H +ATOM 17103 HD2 PHE B 550 152.541 216.721 196.952 1.00 50.43 H +ATOM 17104 HE1 PHE B 550 151.949 215.202 201.268 1.00 46.37 H +ATOM 17105 HE2 PHE B 550 154.330 215.873 198.127 1.00 49.98 H +ATOM 17106 HZ PHE B 550 154.038 215.112 200.287 1.00 52.59 H +ATOM 17107 N GLY B 551 147.690 215.916 195.042 1.00 37.03 N +ATOM 17108 CA GLY B 551 146.601 216.360 194.192 1.00 37.98 C +ATOM 17109 C GLY B 551 147.001 217.414 193.178 1.00 39.60 C +ATOM 17110 O GLY B 551 146.141 218.078 192.604 1.00 47.31 O +ATOM 17111 H GLY B 551 148.073 215.194 194.773 1.00 44.43 H +ATOM 17112 HA2 GLY B 551 146.243 215.598 193.710 1.00 45.57 H +ATOM 17113 HA3 GLY B 551 145.895 216.727 194.746 1.00 45.57 H +ATOM 17114 N GLY B 552 148.304 217.564 192.957 1.00 34.85 N +ATOM 17115 CA GLY B 552 148.817 218.510 191.980 1.00 31.67 C +ATOM 17116 C GLY B 552 149.620 219.631 192.609 1.00 34.80 C +ATOM 17117 O GLY B 552 149.916 219.608 193.801 1.00 37.13 O +ATOM 17118 H GLY B 552 148.916 217.123 193.368 1.00 41.81 H +ATOM 17119 HA2 GLY B 552 149.386 218.043 191.350 1.00 38.00 H +ATOM 17120 HA3 GLY B 552 148.076 218.901 191.492 1.00 38.00 H +ATOM 17121 N GLU B 553 149.968 220.621 191.796 1.00 41.02 N +ATOM 17122 CA GLU B 553 150.822 221.718 192.235 1.00 40.36 C +ATOM 17123 C GLU B 553 150.157 222.600 193.284 1.00 36.40 C +ATOM 17124 O GLU B 553 150.831 223.132 194.165 1.00 42.39 O +ATOM 17125 CB GLU B 553 151.236 222.577 191.037 1.00 39.71 C +ATOM 17126 CG GLU B 553 152.205 221.898 190.085 1.00 43.98 C +ATOM 17127 CD GLU B 553 153.541 221.573 190.729 1.00 76.94 C +ATOM 17128 OE1 GLU B 553 153.812 222.067 191.846 1.00 54.28 O +ATOM 17129 OE2 GLU B 553 154.323 220.822 190.111 1.00 73.96 O +ATOM 17130 H GLU B 553 149.719 220.681 190.975 1.00 49.22 H +ATOM 17131 HA GLU B 553 151.628 221.347 192.627 1.00 48.43 H +ATOM 17132 HB2 GLU B 553 150.441 222.810 190.532 1.00 47.66 H +ATOM 17133 HB3 GLU B 553 151.662 223.384 191.366 1.00 47.66 H +ATOM 17134 HG2 GLU B 553 151.812 221.066 189.776 1.00 52.78 H +ATOM 17135 HG3 GLU B 553 152.370 222.486 189.332 1.00 52.78 H +ATOM 17136 N VAL B 554 148.843 222.766 193.181 1.00 34.05 N +ATOM 17137 CA VAL B 554 148.103 223.587 194.129 1.00 44.28 C +ATOM 17138 C VAL B 554 148.220 223.015 195.539 1.00 39.64 C +ATOM 17139 O VAL B 554 148.481 223.748 196.491 1.00 40.36 O +ATOM 17140 CB VAL B 554 146.617 223.702 193.733 1.00 44.10 C +ATOM 17141 CG1 VAL B 554 145.815 224.441 194.805 1.00 40.92 C +ATOM 17142 CG2 VAL B 554 146.491 224.415 192.399 1.00 46.76 C +ATOM 17143 H VAL B 554 148.355 222.411 192.568 1.00 40.86 H +ATOM 17144 HA VAL B 554 148.482 224.480 194.136 1.00 53.14 H +ATOM 17145 HB VAL B 554 146.243 222.812 193.636 1.00 52.93 H +ATOM 17146 HG11 VAL B 554 144.888 224.495 194.524 1.00 49.10 H +ATOM 17147 HG12 VAL B 554 145.880 223.952 195.640 1.00 49.10 H +ATOM 17148 HG13 VAL B 554 146.181 225.333 194.913 1.00 49.10 H +ATOM 17149 HG21 VAL B 554 145.553 224.480 192.164 1.00 56.11 H +ATOM 17150 HG22 VAL B 554 146.875 225.302 192.479 1.00 56.11 H +ATOM 17151 HG23 VAL B 554 146.968 223.907 191.724 1.00 56.11 H +ATOM 17152 N GLY B 555 148.025 221.707 195.666 1.00 42.08 N +ATOM 17153 CA GLY B 555 148.127 221.045 196.953 1.00 35.17 C +ATOM 17154 C GLY B 555 149.556 221.020 197.453 1.00 36.65 C +ATOM 17155 O GLY B 555 149.817 221.239 198.635 1.00 32.03 O +ATOM 17156 H GLY B 555 147.831 221.180 195.015 1.00 50.49 H +ATOM 17157 HA2 GLY B 555 147.578 221.510 197.604 1.00 42.21 H +ATOM 17158 HA3 GLY B 555 147.809 220.132 196.876 1.00 42.21 H +ATOM 17159 N PHE B 556 150.485 220.751 196.542 1.00 30.48 N +ATOM 17160 CA PHE B 556 151.902 220.698 196.876 1.00 38.78 C +ATOM 17161 C PHE B 556 152.376 222.042 197.417 1.00 36.77 C +ATOM 17162 O PHE B 556 153.286 222.106 198.243 1.00 38.44 O +ATOM 17163 CB PHE B 556 152.717 220.303 195.639 1.00 42.71 C +ATOM 17164 CG PHE B 556 154.099 219.776 195.939 1.00 44.00 C +ATOM 17165 CD1 PHE B 556 154.367 219.075 197.104 1.00 53.71 C +ATOM 17166 CD2 PHE B 556 155.131 219.976 195.037 1.00 56.46 C +ATOM 17167 CE1 PHE B 556 155.639 218.589 197.364 1.00 47.40 C +ATOM 17168 CE2 PHE B 556 156.404 219.495 195.291 1.00 48.20 C +ATOM 17169 CZ PHE B 556 156.657 218.799 196.455 1.00 45.97 C +ATOM 17170 H PHE B 556 150.317 220.595 195.713 1.00 36.58 H +ATOM 17171 HA PHE B 556 152.044 220.026 197.562 1.00 46.54 H +ATOM 17172 HB2 PHE B 556 152.237 219.611 195.159 1.00 51.25 H +ATOM 17173 HB3 PHE B 556 152.817 221.084 195.072 1.00 51.25 H +ATOM 17174 HD1 PHE B 556 153.686 218.929 197.719 1.00 64.45 H +ATOM 17175 HD2 PHE B 556 154.967 220.443 194.249 1.00 67.75 H +ATOM 17176 HE1 PHE B 556 155.807 218.122 198.150 1.00 56.88 H +ATOM 17177 HE2 PHE B 556 157.087 219.639 194.677 1.00 57.84 H +ATOM 17178 HZ PHE B 556 157.512 218.476 196.629 1.00 55.17 H +ATOM 17179 N GLN B 557 151.748 223.113 196.945 1.00 42.53 N +ATOM 17180 CA GLN B 557 152.136 224.466 197.320 1.00 47.63 C +ATOM 17181 C GLN B 557 151.600 224.842 198.698 1.00 39.25 C +ATOM 17182 O GLN B 557 152.213 225.638 199.407 1.00 37.80 O +ATOM 17183 CB GLN B 557 151.650 225.463 196.263 1.00 51.12 C +ATOM 17184 CG GLN B 557 151.831 226.930 196.637 1.00 62.05 C +ATOM 17185 CD GLN B 557 152.489 227.735 195.539 1.00100.83 C +ATOM 17186 OE1 GLN B 557 151.817 228.370 194.724 1.00115.69 O +ATOM 17187 NE2 GLN B 557 153.818 227.718 195.515 1.00 81.62 N +ATOM 17188 H GLN B 557 151.085 223.081 196.399 1.00 51.04 H +ATOM 17189 HA GLN B 557 153.104 224.516 197.354 1.00 57.16 H +ATOM 17190 HB2 GLN B 557 152.143 225.307 195.442 1.00 61.34 H +ATOM 17191 HB3 GLN B 557 150.704 225.314 196.109 1.00 61.34 H +ATOM 17192 HG2 GLN B 557 150.960 227.321 196.814 1.00 74.47 H +ATOM 17193 HG3 GLN B 557 152.389 226.989 197.428 1.00 74.47 H +ATOM 17194 HE21 GLN B 557 154.253 227.266 196.103 1.00 97.95 H +ATOM 17195 HE22 GLN B 557 154.242 228.159 194.911 1.00 97.95 H +ATOM 17196 N ILE B 558 150.466 224.267 199.083 1.00 39.47 N +ATOM 17197 CA ILE B 558 149.923 224.501 200.416 1.00 39.78 C +ATOM 17198 C ILE B 558 150.938 224.065 201.472 1.00 43.90 C +ATOM 17199 O ILE B 558 151.076 224.711 202.511 1.00 38.51 O +ATOM 17200 CB ILE B 558 148.585 223.759 200.630 1.00 40.91 C +ATOM 17201 CG1 ILE B 558 147.499 224.379 199.740 1.00 40.80 C +ATOM 17202 CG2 ILE B 558 148.164 223.814 202.103 1.00 32.38 C +ATOM 17203 CD1 ILE B 558 146.123 223.743 199.867 1.00 29.13 C +ATOM 17204 H ILE B 558 149.994 223.739 198.594 1.00 47.36 H +ATOM 17205 HA ILE B 558 149.761 225.451 200.528 1.00 47.74 H +ATOM 17206 HB ILE B 558 148.701 222.831 200.375 1.00 49.09 H +ATOM 17207 HG12 ILE B 558 147.409 225.317 199.971 1.00 48.96 H +ATOM 17208 HG13 ILE B 558 147.775 224.297 198.814 1.00 48.96 H +ATOM 17209 HG21 ILE B 558 147.323 223.342 202.209 1.00 38.85 H +ATOM 17210 HG22 ILE B 558 148.851 223.392 202.643 1.00 38.85 H +ATOM 17211 HG23 ILE B 558 148.059 224.741 202.367 1.00 38.85 H +ATOM 17212 HD11 ILE B 558 145.509 224.199 199.271 1.00 34.95 H +ATOM 17213 HD12 ILE B 558 146.186 222.806 199.625 1.00 34.95 H +ATOM 17214 HD13 ILE B 558 145.820 223.829 200.784 1.00 34.95 H +ATOM 17215 N ILE B 559 151.649 222.975 201.199 1.00 40.77 N +ATOM 17216 CA ILE B 559 152.685 222.494 202.106 1.00 42.46 C +ATOM 17217 C ILE B 559 153.860 223.460 202.134 1.00 34.43 C +ATOM 17218 O ILE B 559 154.302 223.891 203.196 1.00 31.96 O +ATOM 17219 CB ILE B 559 153.204 221.093 201.695 1.00 36.46 C +ATOM 17220 CG1 ILE B 559 152.124 220.033 201.911 1.00 32.51 C +ATOM 17221 CG2 ILE B 559 154.466 220.722 202.489 1.00 34.84 C +ATOM 17222 CD1 ILE B 559 152.463 218.685 201.312 1.00 39.09 C +ATOM 17223 H ILE B 559 151.550 222.495 200.493 1.00 48.93 H +ATOM 17224 HA ILE B 559 152.321 222.431 203.002 1.00 50.95 H +ATOM 17225 HB ILE B 559 153.430 221.114 200.752 1.00 43.75 H +ATOM 17226 HG12 ILE B 559 151.993 219.910 202.865 1.00 39.01 H +ATOM 17227 HG13 ILE B 559 151.299 220.340 201.504 1.00 39.01 H +ATOM 17228 HG21 ILE B 559 154.766 219.842 202.210 1.00 41.81 H +ATOM 17229 HG22 ILE B 559 155.156 221.379 202.310 1.00 41.81 H +ATOM 17230 HG23 ILE B 559 154.252 220.715 203.435 1.00 41.81 H +ATOM 17231 HD11 ILE B 559 151.734 218.069 201.490 1.00 46.91 H +ATOM 17232 HD12 ILE B 559 152.585 218.787 200.356 1.00 46.91 H +ATOM 17233 HD13 ILE B 559 153.280 218.356 201.718 1.00 46.91 H +ATOM 17234 N ASN B 560 154.359 223.793 200.954 1.00 34.52 N +ATOM 17235 CA ASN B 560 155.627 224.495 200.831 1.00 36.82 C +ATOM 17236 C ASN B 560 155.543 225.991 201.118 1.00 36.63 C +ATOM 17237 O ASN B 560 156.566 226.665 201.175 1.00 41.52 O +ATOM 17238 CB ASN B 560 156.196 224.262 199.433 1.00 29.53 C +ATOM 17239 CG ASN B 560 156.708 222.845 199.249 1.00 39.40 C +ATOM 17240 OD1 ASN B 560 157.414 222.314 200.107 1.00 38.87 O +ATOM 17241 ND2 ASN B 560 156.342 222.218 198.135 1.00 40.89 N +ATOM 17242 H ASN B 560 153.980 223.621 200.201 1.00 41.43 H +ATOM 17243 HA ASN B 560 156.251 224.113 201.467 1.00 44.18 H +ATOM 17244 HB2 ASN B 560 155.500 224.419 198.776 1.00 35.44 H +ATOM 17245 HB3 ASN B 560 156.937 224.872 199.286 1.00 35.44 H +ATOM 17246 HD21 ASN B 560 156.607 221.414 197.987 1.00 49.07 H +ATOM 17247 HD22 ASN B 560 155.840 222.618 197.562 1.00 49.07 H +ATOM 17248 N THR B 561 154.330 226.503 201.306 1.00 39.02 N +ATOM 17249 CA THR B 561 154.133 227.908 201.655 1.00 44.13 C +ATOM 17250 C THR B 561 153.458 228.041 203.016 1.00 35.74 C +ATOM 17251 O THR B 561 152.989 229.119 203.382 1.00 36.07 O +ATOM 17252 CB THR B 561 153.283 228.645 200.600 1.00 43.95 C +ATOM 17253 OG1 THR B 561 151.947 228.122 200.602 1.00 44.44 O +ATOM 17254 CG2 THR B 561 153.894 228.485 199.217 1.00 45.27 C +ATOM 17255 H THR B 561 153.599 226.055 201.237 1.00 46.82 H +ATOM 17256 HA THR B 561 154.997 228.346 201.704 1.00 52.96 H +ATOM 17257 HB THR B 561 153.257 229.591 200.814 1.00 52.74 H +ATOM 17258 HG1 THR B 561 151.959 227.302 200.421 1.00 53.33 H +ATOM 17259 HG21 THR B 561 153.353 228.951 198.560 1.00 54.32 H +ATOM 17260 HG22 THR B 561 154.791 228.854 199.206 1.00 54.32 H +ATOM 17261 HG23 THR B 561 153.937 227.545 198.980 1.00 54.32 H +ATOM 17262 N ALA B 562 153.417 226.945 203.766 1.00 30.80 N +ATOM 17263 CA ALA B 562 152.758 226.934 205.064 1.00 33.58 C +ATOM 17264 C ALA B 562 153.619 227.592 206.134 1.00 32.66 C +ATOM 17265 O ALA B 562 154.840 227.453 206.145 1.00 31.05 O +ATOM 17266 CB ALA B 562 152.418 225.510 205.473 1.00 33.79 C +ATOM 17267 H ALA B 562 153.766 226.192 203.543 1.00 36.96 H +ATOM 17268 HA ALA B 562 151.928 227.432 205.000 1.00 40.30 H +ATOM 17269 HB1 ALA B 562 151.981 225.526 206.339 1.00 40.54 H +ATOM 17270 HB2 ALA B 562 151.825 225.125 204.809 1.00 40.54 H +ATOM 17271 HB3 ALA B 562 153.237 224.993 205.525 1.00 40.54 H +ATOM 17272 N SER B 563 152.960 228.317 207.028 1.00 30.24 N +ATOM 17273 CA SER B 563 153.604 228.889 208.201 1.00 28.41 C +ATOM 17274 C SER B 563 152.576 228.931 209.318 1.00 32.53 C +ATOM 17275 O SER B 563 151.387 228.735 209.071 1.00 28.40 O +ATOM 17276 CB SER B 563 154.153 230.286 207.909 1.00 36.40 C +ATOM 17277 OG SER B 563 153.108 231.197 207.614 1.00 37.44 O +ATOM 17278 H SER B 563 152.120 228.496 206.975 1.00 36.29 H +ATOM 17279 HA SER B 563 154.339 228.320 208.478 1.00 34.09 H +ATOM 17280 HB2 SER B 563 154.636 230.603 208.688 1.00 43.68 H +ATOM 17281 HB3 SER B 563 154.751 230.235 207.147 1.00 43.68 H +ATOM 17282 HG SER B 563 153.427 231.958 207.457 1.00 44.93 H +ATOM 17283 N ILE B 564 153.021 229.175 210.544 1.00 27.09 N +ATOM 17284 CA ILE B 564 152.091 229.265 211.658 1.00 27.66 C +ATOM 17285 C ILE B 564 151.167 230.468 211.462 1.00 40.09 C +ATOM 17286 O ILE B 564 150.013 230.443 211.883 1.00 43.38 O +ATOM 17287 CB ILE B 564 152.825 229.373 213.016 1.00 31.48 C +ATOM 17288 CG1 ILE B 564 151.831 229.317 214.180 1.00 26.91 C +ATOM 17289 CG2 ILE B 564 153.668 230.644 213.087 1.00 36.08 C +ATOM 17290 CD1 ILE B 564 151.115 227.991 214.318 1.00 34.41 C +ATOM 17291 H ILE B 564 153.847 229.289 210.756 1.00 32.51 H +ATOM 17292 HA ILE B 564 151.542 228.466 211.676 1.00 33.19 H +ATOM 17293 HB ILE B 564 153.422 228.612 213.095 1.00 37.78 H +ATOM 17294 HG12 ILE B 564 152.310 229.482 215.007 1.00 32.29 H +ATOM 17295 HG13 ILE B 564 151.159 230.004 214.048 1.00 32.29 H +ATOM 17296 HG21 ILE B 564 154.113 230.679 213.948 1.00 43.30 H +ATOM 17297 HG22 ILE B 564 154.326 230.626 212.374 1.00 43.30 H +ATOM 17298 HG23 ILE B 564 153.087 231.413 212.982 1.00 43.30 H +ATOM 17299 HD11 ILE B 564 150.508 228.037 215.073 1.00 41.29 H +ATOM 17300 HD12 ILE B 564 150.619 227.814 213.504 1.00 41.29 H +ATOM 17301 HD13 ILE B 564 151.772 227.292 214.464 1.00 41.29 H +ATOM 17302 N GLN B 565 151.673 231.511 210.810 1.00 40.79 N +ATOM 17303 CA GLN B 565 150.878 232.709 210.555 1.00 43.25 C +ATOM 17304 C GLN B 565 149.782 232.447 209.525 1.00 37.94 C +ATOM 17305 O GLN B 565 148.641 232.862 209.713 1.00 29.66 O +ATOM 17306 CB GLN B 565 151.774 233.859 210.085 1.00 40.25 C +ATOM 17307 CG GLN B 565 151.024 235.109 209.624 1.00 50.72 C +ATOM 17308 CD GLN B 565 150.184 235.744 210.720 1.00 54.53 C +ATOM 17309 OE1 GLN B 565 150.656 236.614 211.452 1.00 52.52 O +ATOM 17310 NE2 GLN B 565 148.929 235.321 210.828 1.00 54.95 N +ATOM 17311 H GLN B 565 152.476 231.550 210.504 1.00 48.95 H +ATOM 17312 HA GLN B 565 150.451 232.984 211.381 1.00 51.89 H +ATOM 17313 HB2 GLN B 565 152.354 234.118 210.818 1.00 48.30 H +ATOM 17314 HB3 GLN B 565 152.311 233.547 209.339 1.00 48.30 H +ATOM 17315 HG2 GLN B 565 151.668 235.769 209.322 1.00 60.86 H +ATOM 17316 HG3 GLN B 565 150.431 234.869 208.895 1.00 60.86 H +ATOM 17317 HE21 GLN B 565 148.631 234.717 210.294 1.00 65.94 H +ATOM 17318 HE22 GLN B 565 148.415 235.651 211.434 1.00 65.94 H +ATOM 17319 N SER B 566 150.127 231.761 208.440 1.00 33.72 N +ATOM 17320 CA SER B 566 149.162 231.481 207.382 1.00 38.96 C +ATOM 17321 C SER B 566 148.131 230.449 207.837 1.00 40.63 C +ATOM 17322 O SER B 566 147.001 230.447 207.355 1.00 44.44 O +ATOM 17323 CB SER B 566 149.867 230.991 206.116 1.00 38.15 C +ATOM 17324 OG SER B 566 150.243 229.632 206.231 1.00 50.78 O +ATOM 17325 H SER B 566 150.914 231.447 208.291 1.00 40.46 H +ATOM 17326 HA SER B 566 148.689 232.299 207.163 1.00 46.76 H +ATOM 17327 HB2 SER B 566 149.264 231.088 205.362 1.00 45.78 H +ATOM 17328 HB3 SER B 566 150.663 231.527 205.973 1.00 45.78 H +ATOM 17329 HG SER B 566 150.628 229.380 205.529 1.00 60.94 H +ATOM 17330 N LEU B 567 148.527 229.571 208.753 1.00 45.90 N +ATOM 17331 CA LEU B 567 147.602 228.601 209.333 1.00 37.79 C +ATOM 17332 C LEU B 567 146.500 229.333 210.080 1.00 39.85 C +ATOM 17333 O LEU B 567 145.317 229.032 209.924 1.00 36.24 O +ATOM 17334 CB LEU B 567 148.332 227.644 210.279 1.00 39.09 C +ATOM 17335 CG LEU B 567 147.460 226.622 211.017 1.00 39.35 C +ATOM 17336 CD1 LEU B 567 146.908 225.571 210.062 1.00 30.72 C +ATOM 17337 CD2 LEU B 567 148.240 225.964 212.142 1.00 39.72 C +ATOM 17338 H LEU B 567 149.330 229.516 209.057 1.00 55.08 H +ATOM 17339 HA LEU B 567 147.197 228.079 208.623 1.00 45.35 H +ATOM 17340 HB2 LEU B 567 148.985 227.146 209.763 1.00 46.91 H +ATOM 17341 HB3 LEU B 567 148.789 228.172 210.952 1.00 46.91 H +ATOM 17342 HG LEU B 567 146.706 227.085 211.413 1.00 47.22 H +ATOM 17343 HD11 LEU B 567 146.364 224.944 210.563 1.00 36.87 H +ATOM 17344 HD12 LEU B 567 146.368 226.012 209.387 1.00 36.87 H +ATOM 17345 HD13 LEU B 567 147.648 225.106 209.643 1.00 36.87 H +ATOM 17346 HD21 LEU B 567 147.666 225.323 212.591 1.00 47.66 H +ATOM 17347 HD22 LEU B 567 149.012 225.511 211.768 1.00 47.66 H +ATOM 17348 HD23 LEU B 567 148.527 226.647 212.768 1.00 47.66 H +ATOM 17349 N ILE B 568 146.906 230.296 210.899 1.00 40.84 N +ATOM 17350 CA ILE B 568 145.966 231.107 211.656 1.00 46.62 C +ATOM 17351 C ILE B 568 145.187 232.014 210.711 1.00 43.55 C +ATOM 17352 O ILE B 568 143.974 232.163 210.839 1.00 38.81 O +ATOM 17353 CB ILE B 568 146.703 231.937 212.737 1.00 35.36 C +ATOM 17354 CG1 ILE B 568 146.760 231.150 214.049 1.00 35.79 C +ATOM 17355 CG2 ILE B 568 146.016 233.282 212.992 1.00 79.42 C +ATOM 17356 CD1 ILE B 568 147.407 229.780 213.932 1.00 42.34 C +ATOM 17357 H ILE B 568 147.730 230.500 211.033 1.00 49.01 H +ATOM 17358 HA ILE B 568 145.333 230.524 212.104 1.00 55.94 H +ATOM 17359 HB ILE B 568 147.610 232.104 212.436 1.00 42.43 H +ATOM 17360 HG12 ILE B 568 147.271 231.663 214.696 1.00 42.95 H +ATOM 17361 HG13 ILE B 568 145.856 231.022 214.374 1.00 42.95 H +ATOM 17362 HG21 ILE B 568 146.511 233.764 213.673 1.00 95.30 H +ATOM 17363 HG22 ILE B 568 146.006 233.792 212.167 1.00 95.30 H +ATOM 17364 HG23 ILE B 568 145.109 233.121 213.294 1.00 95.30 H +ATOM 17365 HD11 ILE B 568 147.402 229.354 214.804 1.00 50.80 H +ATOM 17366 HD12 ILE B 568 146.902 229.246 213.299 1.00 50.80 H +ATOM 17367 HD13 ILE B 568 148.320 229.888 213.622 1.00 50.80 H +ATOM 17368 N CYS B 569 145.890 232.599 209.749 1.00 43.08 N +ATOM 17369 CA CYS B 569 145.286 233.556 208.830 1.00 44.39 C +ATOM 17370 C CYS B 569 144.161 232.932 208.008 1.00 46.67 C +ATOM 17371 O CYS B 569 143.130 233.562 207.773 1.00 53.42 O +ATOM 17372 CB CYS B 569 146.347 234.134 207.895 1.00 40.06 C +ATOM 17373 SG CYS B 569 145.778 235.553 206.944 1.00 55.69 S +ATOM 17374 H CYS B 569 146.726 232.458 209.605 1.00 51.70 H +ATOM 17375 HA CYS B 569 144.909 234.288 209.343 1.00 53.26 H +ATOM 17376 HB2 CYS B 569 147.109 234.418 208.424 1.00 48.07 H +ATOM 17377 HB3 CYS B 569 146.620 233.447 207.267 1.00 48.07 H +ATOM 17378 N ASN B 570 144.359 231.691 207.576 1.00 41.76 N +ATOM 17379 CA ASN B 570 143.385 231.015 206.727 1.00 42.08 C +ATOM 17380 C ASN B 570 142.173 230.485 207.489 1.00 40.54 C +ATOM 17381 O ASN B 570 141.107 230.300 206.904 1.00 43.62 O +ATOM 17382 CB ASN B 570 144.047 229.856 205.979 1.00 42.99 C +ATOM 17383 CG ASN B 570 144.940 230.319 204.844 1.00 35.80 C +ATOM 17384 OD1 ASN B 570 144.743 231.395 204.284 1.00 61.06 O +ATOM 17385 ND2 ASN B 570 145.925 229.500 204.494 1.00 39.65 N +ATOM 17386 H ASN B 570 145.053 231.217 207.761 1.00 50.11 H +ATOM 17387 HA ASN B 570 143.061 231.646 206.065 1.00 50.49 H +ATOM 17388 HB2 ASN B 570 144.591 229.349 206.601 1.00 51.58 H +ATOM 17389 HB3 ASN B 570 143.356 229.287 205.603 1.00 51.58 H +ATOM 17390 HD21 ASN B 570 146.459 229.718 203.856 1.00 47.58 H +ATOM 17391 HD22 ASN B 570 146.029 228.752 204.905 1.00 47.58 H +ATOM 17392 N ASN B 571 142.331 230.251 208.789 1.00 35.99 N +ATOM 17393 CA ASN B 571 141.312 229.548 209.567 1.00 37.17 C +ATOM 17394 C ASN B 571 140.791 230.301 210.790 1.00 36.68 C +ATOM 17395 O ASN B 571 139.858 229.838 211.445 1.00 42.23 O +ATOM 17396 CB ASN B 571 141.859 228.195 210.016 1.00 35.29 C +ATOM 17397 CG ASN B 571 142.243 227.312 208.849 1.00 37.38 C +ATOM 17398 OD1 ASN B 571 141.381 226.796 208.138 1.00 36.48 O +ATOM 17399 ND2 ASN B 571 143.542 227.134 208.643 1.00 31.19 N +ATOM 17400 H ASN B 571 143.021 230.488 209.245 1.00 43.18 H +ATOM 17401 HA ASN B 571 140.552 229.377 208.989 1.00 44.60 H +ATOM 17402 HB2 ASN B 571 142.651 228.337 210.559 1.00 42.35 H +ATOM 17403 HB3 ASN B 571 141.180 227.733 210.533 1.00 42.35 H +ATOM 17404 HD21 ASN B 571 143.811 226.641 207.992 1.00 37.43 H +ATOM 17405 HD22 ASN B 571 144.115 227.513 209.161 1.00 37.43 H +ATOM 17406 N VAL B 572 141.383 231.450 211.098 1.00 38.69 N +ATOM 17407 CA VAL B 572 140.946 232.246 212.242 1.00 48.27 C +ATOM 17408 C VAL B 572 140.318 233.555 211.770 1.00 52.87 C +ATOM 17409 O VAL B 572 140.858 234.249 210.908 1.00 45.87 O +ATOM 17410 CB VAL B 572 142.110 232.538 213.211 1.00 41.38 C +ATOM 17411 CG1 VAL B 572 141.623 233.324 214.416 1.00 41.34 C +ATOM 17412 CG2 VAL B 572 142.753 231.234 213.663 1.00 37.91 C +ATOM 17413 H VAL B 572 142.040 231.792 210.661 1.00 46.43 H +ATOM 17414 HA VAL B 572 140.270 231.751 212.730 1.00 57.92 H +ATOM 17415 HB VAL B 572 142.783 233.067 212.754 1.00 49.66 H +ATOM 17416 HG11 VAL B 572 142.374 233.494 215.007 1.00 49.61 H +ATOM 17417 HG12 VAL B 572 141.244 234.164 214.113 1.00 49.61 H +ATOM 17418 HG13 VAL B 572 140.948 232.805 214.879 1.00 49.61 H +ATOM 17419 HG21 VAL B 572 143.482 231.436 214.270 1.00 45.50 H +ATOM 17420 HG22 VAL B 572 142.086 230.693 214.114 1.00 45.50 H +ATOM 17421 HG23 VAL B 572 143.091 230.763 212.885 1.00 45.50 H +ATOM 17422 N LYS B 573 139.163 233.868 212.344 1.00 54.71 N +ATOM 17423 CA LYS B 573 138.400 235.061 211.995 1.00 54.99 C +ATOM 17424 C LYS B 573 139.220 236.325 212.237 1.00 51.57 C +ATOM 17425 O LYS B 573 139.763 236.521 213.324 1.00 50.01 O +ATOM 17426 CB LYS B 573 137.105 235.094 212.813 1.00 58.35 C +ATOM 17427 CG LYS B 573 136.075 236.119 212.386 1.00 54.83 C +ATOM 17428 CD LYS B 573 134.949 236.159 213.413 1.00 66.29 C +ATOM 17429 CE LYS B 573 133.848 237.131 213.036 1.00 81.31 C +ATOM 17430 NZ LYS B 573 132.824 237.225 214.116 1.00 68.87 N +ATOM 17431 H LYS B 573 138.790 233.392 212.955 1.00 65.65 H +ATOM 17432 HA LYS B 573 138.165 235.026 211.055 1.00 65.99 H +ATOM 17433 HB2 LYS B 573 136.686 234.221 212.755 1.00 70.02 H +ATOM 17434 HB3 LYS B 573 137.333 235.281 213.737 1.00 70.02 H +ATOM 17435 HG2 LYS B 573 136.486 236.996 212.341 1.00 65.79 H +ATOM 17436 HG3 LYS B 573 135.703 235.869 211.526 1.00 65.79 H +ATOM 17437 HD2 LYS B 573 134.556 235.275 213.486 1.00 79.54 H +ATOM 17438 HD3 LYS B 573 135.312 236.434 214.269 1.00 79.54 H +ATOM 17439 HE2 LYS B 573 134.230 238.013 212.900 1.00 97.57 H +ATOM 17440 HE3 LYS B 573 133.411 236.824 212.226 1.00 97.57 H +ATOM 17441 HZ1 LYS B 573 132.185 237.798 213.881 1.00 82.64 H +ATOM 17442 HZ2 LYS B 573 132.457 236.426 214.258 1.00 82.64 H +ATOM 17443 HZ3 LYS B 573 133.202 237.507 214.871 1.00 82.64 H +ATOM 17444 N GLY B 574 139.315 237.169 211.213 1.00 45.92 N +ATOM 17445 CA GLY B 574 140.031 238.429 211.317 1.00 51.64 C +ATOM 17446 C GLY B 574 141.482 238.349 210.877 1.00 49.72 C +ATOM 17447 O GLY B 574 142.108 239.377 210.623 1.00 47.96 O +ATOM 17448 H GLY B 574 138.968 237.030 210.439 1.00 55.10 H +ATOM 17449 HA2 GLY B 574 139.586 239.094 210.769 1.00 61.97 H +ATOM 17450 HA3 GLY B 574 140.011 238.732 212.238 1.00 61.97 H +ATOM 17451 N CYS B 575 142.013 237.132 210.790 1.00 60.38 N +ATOM 17452 CA CYS B 575 143.403 236.909 210.394 1.00 49.50 C +ATOM 17453 C CYS B 575 144.361 237.660 211.316 1.00 44.52 C +ATOM 17454 O CYS B 575 145.163 238.472 210.858 1.00 47.03 O +ATOM 17455 CB CYS B 575 143.621 237.337 208.938 1.00 48.38 C +ATOM 17456 SG CYS B 575 145.278 237.010 208.272 1.00 45.83 S +ATOM 17457 H CYS B 575 141.582 236.407 210.957 1.00 72.46 H +ATOM 17458 HA CYS B 575 143.603 235.962 210.461 1.00 59.40 H +ATOM 17459 HB2 CYS B 575 142.984 236.865 208.380 1.00 58.05 H +ATOM 17460 HB3 CYS B 575 143.464 238.292 208.872 1.00 58.05 H +ATOM 17461 N PRO B 576 144.282 237.389 212.627 1.00 38.34 N +ATOM 17462 CA PRO B 576 145.127 238.113 213.580 1.00 44.99 C +ATOM 17463 C PRO B 576 146.606 237.822 213.376 1.00 52.12 C +ATOM 17464 O PRO B 576 146.956 236.766 212.850 1.00 53.12 O +ATOM 17465 CB PRO B 576 144.654 237.586 214.937 1.00 44.33 C +ATOM 17466 CG PRO B 576 144.129 236.231 214.644 1.00 42.25 C +ATOM 17467 CD PRO B 576 143.498 236.331 213.284 1.00 42.06 C +ATOM 17468 HA PRO B 576 144.968 239.068 213.525 1.00 53.99 H +ATOM 17469 HB2 PRO B 576 145.404 237.540 215.551 1.00 53.20 H +ATOM 17470 HB3 PRO B 576 143.954 238.159 215.287 1.00 53.20 H +ATOM 17471 HG2 PRO B 576 144.860 235.593 214.635 1.00 50.70 H +ATOM 17472 HG3 PRO B 576 143.469 235.986 215.310 1.00 50.70 H +ATOM 17473 HD2 PRO B 576 143.591 235.492 212.805 1.00 50.47 H +ATOM 17474 HD3 PRO B 576 142.568 236.597 213.361 1.00 50.47 H +ATOM 17475 N PHE B 577 147.462 238.753 213.777 1.00 54.58 N +ATOM 17476 CA PHE B 577 148.889 238.486 213.800 1.00 56.97 C +ATOM 17477 C PHE B 577 149.164 237.396 214.822 1.00 51.06 C +ATOM 17478 O PHE B 577 148.570 237.388 215.900 1.00 46.76 O +ATOM 17479 CB PHE B 577 149.690 239.743 214.145 1.00 53.84 C +ATOM 17480 CG PHE B 577 151.109 239.455 214.549 1.00 47.98 C +ATOM 17481 CD1 PHE B 577 151.438 239.251 215.880 1.00 53.36 C +ATOM 17482 CD2 PHE B 577 152.111 239.377 213.599 1.00 44.76 C +ATOM 17483 CE1 PHE B 577 152.738 238.978 216.253 1.00 44.62 C +ATOM 17484 CE2 PHE B 577 153.413 239.107 213.968 1.00 42.70 C +ATOM 17485 CZ PHE B 577 153.726 238.906 215.297 1.00 45.99 C +ATOM 17486 H PHE B 577 147.242 239.542 214.039 1.00 65.49 H +ATOM 17487 HA PHE B 577 149.174 238.170 212.928 1.00 68.37 H +ATOM 17488 HB2 PHE B 577 149.714 240.323 213.368 1.00 64.60 H +ATOM 17489 HB3 PHE B 577 149.257 240.198 214.884 1.00 64.60 H +ATOM 17490 HD1 PHE B 577 150.774 239.297 216.530 1.00 64.04 H +ATOM 17491 HD2 PHE B 577 151.905 239.510 212.702 1.00 53.71 H +ATOM 17492 HE1 PHE B 577 152.947 238.846 217.150 1.00 53.55 H +ATOM 17493 HE2 PHE B 577 154.079 239.058 213.321 1.00 51.23 H +ATOM 17494 HZ PHE B 577 154.603 238.725 215.547 1.00 55.19 H +ATOM 17495 N THR B 578 150.055 236.472 214.483 1.00 41.95 N +ATOM 17496 CA THR B 578 150.510 235.483 215.450 1.00 53.11 C +ATOM 17497 C THR B 578 151.974 235.147 215.227 1.00 43.05 C +ATOM 17498 O THR B 578 152.552 235.461 214.187 1.00 38.08 O +ATOM 17499 CB THR B 578 149.670 234.188 215.394 1.00 42.94 C +ATOM 17500 OG1 THR B 578 149.908 233.416 216.578 1.00 43.05 O +ATOM 17501 CG2 THR B 578 150.003 233.354 214.159 1.00 38.50 C +ATOM 17502 H THR B 578 150.409 236.396 213.704 1.00 50.34 H +ATOM 17503 HA THR B 578 150.422 235.855 216.342 1.00 63.74 H +ATOM 17504 HB THR B 578 148.730 234.423 215.354 1.00 51.53 H +ATOM 17505 HG1 THR B 578 149.690 233.858 217.258 1.00 51.66 H +ATOM 17506 HG21 THR B 578 149.463 232.548 214.148 1.00 46.21 H +ATOM 17507 HG22 THR B 578 149.822 233.866 213.355 1.00 46.21 H +ATOM 17508 HG23 THR B 578 150.941 233.105 214.170 1.00 46.21 H +ATOM 17509 N SER B 579 152.558 234.495 216.223 1.00 43.23 N +ATOM 17510 CA SER B 579 153.978 234.199 216.239 1.00 36.44 C +ATOM 17511 C SER B 579 154.266 233.351 217.465 1.00 37.98 C +ATOM 17512 O SER B 579 153.444 233.283 218.378 1.00 36.47 O +ATOM 17513 CB SER B 579 154.801 235.489 216.259 1.00 41.10 C +ATOM 17514 OG SER B 579 156.158 235.233 216.568 1.00 41.08 O +ATOM 17515 H SER B 579 152.140 234.207 216.917 1.00 51.88 H +ATOM 17516 HA SER B 579 154.215 233.691 215.447 1.00 43.73 H +ATOM 17517 HB2 SER B 579 154.752 235.906 215.384 1.00 49.32 H +ATOM 17518 HB3 SER B 579 154.434 236.085 216.930 1.00 49.32 H +ATOM 17519 HG SER B 579 156.592 235.952 216.574 1.00 49.29 H +ATOM 17520 N PHE B 580 155.424 232.702 217.492 1.00 34.15 N +ATOM 17521 CA PHE B 580 155.789 231.862 218.626 1.00 39.26 C +ATOM 17522 C PHE B 580 156.516 232.654 219.709 1.00 38.29 C +ATOM 17523 O PHE B 580 156.912 232.091 220.727 1.00 40.96 O +ATOM 17524 CB PHE B 580 156.646 230.684 218.160 1.00 38.82 C +ATOM 17525 CG PHE B 580 155.863 229.593 217.474 1.00 35.85 C +ATOM 17526 CD1 PHE B 580 154.634 229.183 217.966 1.00 35.07 C +ATOM 17527 CD2 PHE B 580 156.357 228.980 216.337 1.00 38.09 C +ATOM 17528 CE1 PHE B 580 153.919 228.183 217.340 1.00 35.49 C +ATOM 17529 CE2 PHE B 580 155.644 227.981 215.707 1.00 36.66 C +ATOM 17530 CZ PHE B 580 154.424 227.582 216.209 1.00 33.30 C +ATOM 17531 H PHE B 580 156.016 232.732 216.869 1.00 40.98 H +ATOM 17532 HA PHE B 580 154.978 231.501 219.018 1.00 47.12 H +ATOM 17533 HB2 PHE B 580 157.311 231.009 217.534 1.00 46.58 H +ATOM 17534 HB3 PHE B 580 157.085 230.293 218.931 1.00 46.58 H +ATOM 17535 HD1 PHE B 580 154.289 229.585 218.731 1.00 42.08 H +ATOM 17536 HD2 PHE B 580 157.180 229.244 215.993 1.00 45.71 H +ATOM 17537 HE1 PHE B 580 153.096 227.916 217.680 1.00 42.59 H +ATOM 17538 HE2 PHE B 580 155.987 227.576 214.943 1.00 43.99 H +ATOM 17539 HZ PHE B 580 153.943 226.909 215.784 1.00 39.96 H +ATOM 17540 N SER B 581 156.678 233.956 219.493 1.00 38.81 N +ATOM 17541 CA SER B 581 157.253 234.832 220.507 1.00 43.06 C +ATOM 17542 C SER B 581 156.381 236.064 220.720 1.00 41.97 C +ATOM 17543 O SER B 581 155.604 236.442 219.844 1.00 39.36 O +ATOM 17544 CB SER B 581 158.673 235.253 220.120 1.00 36.31 C +ATOM 17545 OG SER B 581 158.713 235.766 218.802 1.00 39.70 O +ATOM 17546 H SER B 581 156.462 234.358 218.764 1.00 46.57 H +ATOM 17547 HA SER B 581 157.303 234.351 221.348 1.00 51.68 H +ATOM 17548 HB2 SER B 581 158.977 235.939 220.734 1.00 43.57 H +ATOM 17549 HB3 SER B 581 159.256 234.479 220.174 1.00 43.57 H +ATOM 17550 HG SER B 581 158.453 235.181 218.258 1.00 47.64 H +ATOM 17551 N VAL B 582 156.512 236.682 221.888 1.00 43.85 N +ATOM 17552 CA VAL B 582 155.706 237.850 222.223 1.00 45.01 C +ATOM 17553 C VAL B 582 156.216 239.084 221.473 1.00 47.05 C +ATOM 17554 O VAL B 582 157.423 239.279 221.350 1.00 47.03 O +ATOM 17555 CB VAL B 582 155.712 238.129 223.744 1.00 41.98 C +ATOM 17556 CG1 VAL B 582 155.227 236.905 224.504 1.00 41.91 C +ATOM 17557 CG2 VAL B 582 157.098 238.536 224.233 1.00 47.38 C +ATOM 17558 H VAL B 582 157.061 236.444 222.506 1.00 52.62 H +ATOM 17559 HA VAL B 582 154.789 237.690 221.951 1.00 54.02 H +ATOM 17560 HB VAL B 582 155.102 238.859 223.932 1.00 50.37 H +ATOM 17561 HG11 VAL B 582 155.238 237.099 225.455 1.00 50.29 H +ATOM 17562 HG12 VAL B 582 154.324 236.694 224.220 1.00 50.29 H +ATOM 17563 HG13 VAL B 582 155.817 236.160 224.312 1.00 50.29 H +ATOM 17564 HG21 VAL B 582 157.060 238.702 225.188 1.00 56.86 H +ATOM 17565 HG22 VAL B 582 157.722 237.818 224.046 1.00 56.86 H +ATOM 17566 HG23 VAL B 582 157.372 239.342 223.768 1.00 56.86 H +ATOM 17567 N PRO B 583 155.299 239.914 220.943 1.00 59.51 N +ATOM 17568 CA PRO B 583 155.738 241.178 220.334 1.00 57.01 C +ATOM 17569 C PRO B 583 156.283 242.166 221.359 1.00 45.15 C +ATOM 17570 O PRO B 583 157.500 242.237 221.522 1.00 48.45 O +ATOM 17571 CB PRO B 583 154.461 241.720 219.687 1.00 63.30 C +ATOM 17572 CG PRO B 583 153.585 240.534 219.510 1.00 71.50 C +ATOM 17573 CD PRO B 583 153.879 239.641 220.665 1.00 56.48 C +ATOM 17574 HA PRO B 583 156.406 241.015 219.650 1.00 68.42 H +ATOM 17575 HB2 PRO B 583 154.045 242.369 220.276 1.00 75.95 H +ATOM 17576 HB3 PRO B 583 154.673 242.121 218.830 1.00 75.95 H +ATOM 17577 HG2 PRO B 583 152.656 240.811 219.520 1.00 85.80 H +ATOM 17578 HG3 PRO B 583 153.801 240.092 218.674 1.00 85.80 H +ATOM 17579 HD2 PRO B 583 153.331 239.883 221.429 1.00 67.78 H +ATOM 17580 HD3 PRO B 583 153.754 238.712 220.417 1.00 67.78 H +TER 17581 PRO B 583 +HETATM17582 C1 NAG C 1 143.318 198.193 207.790 1.00 35.13 C +HETATM17583 C2 NAG C 1 142.728 198.570 209.151 1.00 40.92 C +HETATM17584 C3 NAG C 1 141.569 197.637 209.506 1.00 44.17 C +HETATM17585 C4 NAG C 1 140.552 197.582 208.373 1.00 49.79 C +HETATM17586 C5 NAG C 1 141.250 197.241 207.062 1.00 46.96 C +HETATM17587 C6 NAG C 1 140.324 197.294 205.870 1.00 35.61 C +HETATM17588 C7 NAG C 1 143.983 199.527 211.041 1.00 38.42 C +HETATM17589 C8 NAG C 1 145.076 199.293 212.040 1.00 39.99 C +HETATM17590 N2 NAG C 1 143.749 198.526 210.186 1.00 30.62 N +HETATM17591 O3 NAG C 1 140.944 198.096 210.699 1.00 36.57 O +HETATM17592 O4 NAG C 1 139.576 196.579 208.636 1.00 53.91 O +HETATM17593 O5 NAG C 1 142.294 198.189 206.810 1.00 31.20 O +HETATM17594 O6 NAG C 1 139.719 198.573 205.748 1.00 36.89 O +HETATM17595 O7 NAG C 1 143.344 200.575 211.011 1.00 38.84 O +HETATM17596 H2 NAG C 1 142.379 199.480 209.094 1.00 49.10 H +HETATM17597 H3 NAG C 1 141.921 196.740 209.659 1.00 53.00 H +HETATM17598 H4 NAG C 1 140.111 198.449 208.290 1.00 59.75 H +HETATM17599 H5 NAG C 1 141.637 196.347 207.128 1.00 56.35 H +HETATM17600 H61 NAG C 1 139.628 196.619 205.976 1.00 42.73 H +HETATM17601 H62 NAG C 1 140.835 197.103 205.060 1.00 42.73 H +HETATM17602 H81 NAG C 1 145.194 200.093 212.587 1.00 47.98 H +HETATM17603 H82 NAG C 1 145.908 199.094 211.571 1.00 47.98 H +HETATM17604 H83 NAG C 1 144.837 198.540 212.613 1.00 47.98 H +HETATM17605 HN2 NAG C 1 144.256 197.771 210.258 1.00 36.75 H +HETATM17606 HO3 NAG C 1 140.061 198.050 210.608 1.00 43.88 H +HETATM17607 HO6 NAG C 1 140.064 198.999 205.049 1.00 44.27 H +HETATM17608 C1 NAG C 2 138.251 197.144 208.685 1.00 59.71 C +HETATM17609 C2 NAG C 2 137.235 196.019 208.427 1.00 68.81 C +HETATM17610 C3 NAG C 2 135.804 196.531 208.609 1.00 76.82 C +HETATM17611 C4 NAG C 2 135.647 197.239 209.950 1.00 85.01 C +HETATM17612 C5 NAG C 2 136.721 198.313 210.079 1.00 76.28 C +HETATM17613 C6 NAG C 2 136.691 199.037 211.404 1.00 75.40 C +HETATM17614 C7 NAG C 2 138.137 194.370 206.837 1.00 63.39 C +HETATM17615 C8 NAG C 2 138.190 193.940 205.403 1.00 66.96 C +HETATM17616 N2 NAG C 2 137.407 195.462 207.094 1.00 65.64 N +HETATM17617 O3 NAG C 2 134.924 195.417 208.522 1.00 72.40 O +HETATM17618 O4 NAG C 2 134.383 197.885 210.056 1.00101.43 O +HETATM17619 O5 NAG C 2 138.014 197.709 209.964 1.00 66.27 O +HETATM17620 O6 NAG C 2 137.614 198.469 212.323 1.00 75.44 O +HETATM17621 O7 NAG C 2 138.730 193.761 207.721 1.00 62.84 O +HETATM17622 H2 NAG C 2 137.389 195.312 209.082 1.00 82.57 H +HETATM17623 H3 NAG C 2 135.596 197.159 207.891 1.00 92.19 H +HETATM17624 H4 NAG C 2 135.745 196.592 210.674 1.00102.02 H +HETATM17625 H5 NAG C 2 136.608 198.963 209.359 1.00 91.54 H +HETATM17626 H61 NAG C 2 135.792 198.981 211.779 1.00 90.47 H +HETATM17627 H62 NAG C 2 136.920 199.975 211.261 1.00 90.47 H +HETATM17628 H81 NAG C 2 138.776 193.164 205.318 1.00 80.35 H +HETATM17629 H82 NAG C 2 138.535 194.671 204.857 1.00 80.35 H +HETATM17630 H83 NAG C 2 137.292 193.704 205.101 1.00 80.35 H +HETATM17631 HN2 NAG C 2 136.985 195.872 206.397 1.00 78.77 H +HETATM17632 HO3 NAG C 2 134.274 195.597 207.944 1.00 86.88 H +HETATM17633 HO6 NAG C 2 138.096 197.848 211.911 1.00 90.53 H +HETATM17634 C1 MAN C 3 133.233 197.011 210.052 1.00111.54 C +HETATM17635 C2 MAN C 3 132.112 197.840 209.375 1.00116.38 C +HETATM17636 C3 MAN C 3 130.761 197.716 210.103 1.00132.54 C +HETATM17637 C4 MAN C 3 130.857 197.912 211.639 1.00124.73 C +HETATM17638 C5 MAN C 3 132.250 197.556 212.190 1.00124.16 C +HETATM17639 C6 MAN C 3 132.175 196.976 213.593 1.00127.74 C +HETATM17640 O2 MAN C 3 131.869 197.376 208.044 1.00113.41 O +HETATM17641 O3 MAN C 3 130.114 196.482 209.802 1.00145.62 O +HETATM17642 O4 MAN C 3 130.555 199.263 211.971 1.00122.62 O +HETATM17643 O5 MAN C 3 132.877 196.572 211.350 1.00116.96 O +HETATM17644 O6 MAN C 3 131.196 197.708 214.329 1.00127.87 O +HETATM17645 H2 MAN C 3 132.423 198.893 209.362 1.00139.66 H +HETATM17646 H3 MAN C 3 130.098 198.497 209.716 1.00159.05 H +HETATM17647 H4 MAN C 3 130.130 197.230 212.111 1.00149.68 H +HETATM17648 H5 MAN C 3 132.865 198.466 212.225 1.00148.99 H +HETATM17649 H61 MAN C 3 133.170 197.051 214.057 1.00153.29 H +HETATM17650 H62 MAN C 3 131.912 195.913 213.504 1.00153.29 H +HETATM17651 HO2 MAN C 3 131.159 196.723 208.064 1.00136.10 H +HETATM17652 HO3 MAN C 3 130.640 195.800 210.251 1.00174.74 H +HETATM17653 HO4 MAN C 3 130.637 199.312 212.936 1.00147.14 H +HETATM17654 HO6 MAN C 3 130.395 197.169 214.365 1.00153.44 H +HETATM17655 C1 NAG D 1 149.287 157.926 205.819 1.00 68.45 C +HETATM17656 C2 NAG D 1 148.231 157.129 205.075 1.00 76.99 C +HETATM17657 C3 NAG D 1 148.126 155.730 205.671 1.00 66.50 C +HETATM17658 C4 NAG D 1 149.495 155.060 205.717 1.00 77.50 C +HETATM17659 C5 NAG D 1 150.549 155.980 206.336 1.00 74.41 C +HETATM17660 C6 NAG D 1 151.953 155.446 206.179 1.00 67.51 C +HETATM17661 C7 NAG D 1 146.156 157.939 204.038 1.00 55.98 C +HETATM17662 C8 NAG D 1 144.862 158.663 204.259 1.00 54.27 C +HETATM17663 N2 NAG D 1 146.942 157.803 205.112 1.00 67.46 N +HETATM17664 O3 NAG D 1 147.233 154.949 204.886 1.00 74.50 O +HETATM17665 O4 NAG D 1 149.415 153.888 206.521 1.00 79.77 O +HETATM17666 O5 NAG D 1 150.533 157.271 205.709 1.00 67.32 O +HETATM17667 O6 NAG D 1 152.868 156.140 207.015 1.00 69.38 O +HETATM17668 O7 NAG D 1 146.472 157.495 202.939 1.00 63.99 O +HETATM17669 H2 NAG D 1 148.511 157.042 204.144 1.00 92.38 H +HETATM17670 H3 NAG D 1 147.774 155.797 206.579 1.00 79.80 H +HETATM17671 H4 NAG D 1 149.767 154.816 204.812 1.00 93.00 H +HETATM17672 H5 NAG D 1 150.355 156.087 207.287 1.00 89.29 H +HETATM17673 H61 NAG D 1 152.231 155.546 205.249 1.00 81.02 H +HETATM17674 H62 NAG D 1 151.962 154.498 206.415 1.00 81.02 H +HETATM17675 H81 NAG D 1 144.386 158.744 203.411 1.00 65.12 H +HETATM17676 H82 NAG D 1 145.044 159.553 204.616 1.00 65.12 H +HETATM17677 H83 NAG D 1 144.315 158.164 204.894 1.00 65.12 H +HETATM17678 HN2 NAG D 1 146.658 158.152 205.905 1.00 80.95 H +HETATM17679 HO3 NAG D 1 147.558 154.128 204.795 1.00 89.39 H +HETATM17680 HO6 NAG D 1 153.002 155.674 207.759 1.00 83.26 H +HETATM17681 C1 NAG D 2 149.731 152.697 205.785 1.00 91.94 C +HETATM17682 C2 NAG D 2 150.173 151.635 206.793 1.00 95.12 C +HETATM17683 C3 NAG D 2 150.419 150.298 206.095 1.00107.47 C +HETATM17684 C4 NAG D 2 149.208 149.900 205.267 1.00115.51 C +HETATM17685 C5 NAG D 2 148.868 151.025 204.298 1.00115.91 C +HETATM17686 C6 NAG D 2 147.635 150.746 203.469 1.00125.08 C +HETATM17687 C7 NAG D 2 151.332 152.756 208.650 1.00 81.80 C +HETATM17688 C8 NAG D 2 152.664 153.106 209.243 1.00 75.41 C +HETATM17689 N2 NAG D 2 151.366 152.059 207.509 1.00 85.85 N +HETATM17690 O3 NAG D 2 150.687 149.300 207.074 1.00109.66 O +HETATM17691 O4 NAG D 2 149.479 148.708 204.540 1.00119.27 O +HETATM17692 O5 NAG D 2 148.610 152.225 205.040 1.00103.26 O +HETATM17693 O6 NAG D 2 146.487 151.376 204.020 1.00129.87 O +HETATM17694 O7 NAG D 2 150.277 153.089 209.179 1.00 74.87 O +HETATM17695 H2 NAG D 2 149.453 151.509 207.439 1.00114.14 H +HETATM17696 H3 NAG D 2 151.194 150.384 205.507 1.00128.96 H +HETATM17697 H4 NAG D 2 148.448 149.748 205.861 1.00138.61 H +HETATM17698 H5 NAG D 2 149.627 151.174 203.702 1.00139.10 H +HETATM17699 H61 NAG D 2 147.485 149.783 203.435 1.00150.09 H +HETATM17700 H62 NAG D 2 147.778 151.080 202.563 1.00150.09 H +HETATM17701 H81 NAG D 2 152.530 153.645 210.046 1.00 90.49 H +HETATM17702 H82 NAG D 2 153.186 153.614 208.593 1.00 90.49 H +HETATM17703 H83 NAG D 2 153.141 152.288 209.476 1.00 90.49 H +HETATM17704 HN2 NAG D 2 152.179 151.840 207.160 1.00103.02 H +HETATM17705 HO3 NAG D 2 150.757 148.509 206.678 1.00131.60 H +HETATM17706 HO4 NAG D 2 148.821 148.126 204.669 1.00143.13 H +HETATM17707 HO6 NAG D 2 146.740 151.988 204.612 1.00155.84 H +HETATM17708 C1 NAG E 1 154.466 193.634 222.984 1.00 30.86 C +HETATM17709 C2 NAG E 1 153.502 192.515 222.583 1.00 35.32 C +HETATM17710 C3 NAG E 1 152.349 192.426 223.583 1.00 40.53 C +HETATM17711 C4 NAG E 1 152.886 192.283 225.000 1.00 45.07 C +HETATM17712 C5 NAG E 1 153.843 193.427 225.301 1.00 40.11 C +HETATM17713 C6 NAG E 1 154.490 193.311 226.661 1.00 32.69 C +HETATM17714 C7 NAG E 1 152.943 191.757 220.308 1.00 30.72 C +HETATM17715 C8 NAG E 1 152.373 192.153 218.980 1.00 40.16 C +HETATM17716 N2 NAG E 1 152.990 192.721 221.236 1.00 32.16 N +HETATM17717 O3 NAG E 1 151.521 191.315 223.257 1.00 40.99 O +HETATM17718 O4 NAG E 1 151.822 192.324 225.943 1.00 46.85 O +HETATM17719 O5 NAG E 1 154.904 193.433 224.336 1.00 34.40 O +HETATM17720 O6 NAG E 1 155.145 192.060 226.817 1.00 34.09 O +HETATM17721 O7 NAG E 1 153.343 190.619 220.528 1.00 35.22 O +HETATM17722 H2 NAG E 1 153.988 191.669 222.605 1.00 42.38 H +HETATM17723 H3 NAG E 1 151.819 193.243 223.527 1.00 48.63 H +HETATM17724 H4 NAG E 1 153.360 191.434 225.083 1.00 54.08 H +HETATM17725 H5 NAG E 1 153.358 194.272 225.249 1.00 48.14 H +HETATM17726 H61 NAG E 1 153.803 193.399 227.349 1.00 39.23 H +HETATM17727 H62 NAG E 1 155.142 194.029 226.766 1.00 39.23 H +HETATM17728 H81 NAG E 1 152.421 191.396 218.366 1.00 48.20 H +HETATM17729 H82 NAG E 1 152.885 192.900 218.615 1.00 48.20 H +HETATM17730 H83 NAG E 1 151.442 192.422 219.093 1.00 48.20 H +HETATM17731 HN2 NAG E 1 152.675 193.548 221.016 1.00 38.60 H +HETATM17732 HO3 NAG E 1 151.310 190.876 223.999 1.00 49.19 H +HETATM17733 HO6 NAG E 1 155.989 192.133 226.550 1.00 40.91 H +HETATM17734 C1 NAG E 2 151.730 191.097 226.679 1.00 47.89 C +HETATM17735 C2 NAG E 2 150.961 191.393 227.971 1.00 48.79 C +HETATM17736 C3 NAG E 2 150.656 190.107 228.745 1.00 69.98 C +HETATM17737 C4 NAG E 2 150.020 189.069 227.830 1.00 70.94 C +HETATM17738 C5 NAG E 2 150.931 188.866 226.628 1.00 50.88 C +HETATM17739 C6 NAG E 2 150.420 187.845 225.639 1.00 39.05 C +HETATM17740 C7 NAG E 2 151.459 193.637 228.825 1.00 46.52 C +HETATM17741 C8 NAG E 2 152.315 194.452 229.747 1.00 37.19 C +HETATM17742 N2 NAG E 2 151.700 192.324 228.808 1.00 45.10 N +HETATM17743 O3 NAG E 2 149.783 190.447 229.816 1.00 52.89 O +HETATM17744 O4 NAG E 2 149.854 187.808 228.472 1.00 86.42 O +HETATM17745 O5 NAG E 2 151.053 190.109 225.931 1.00 52.65 O +HETATM17746 O6 NAG E 2 149.141 188.202 225.134 1.00 61.63 O +HETATM17747 O7 NAG E 2 150.593 194.144 228.129 1.00 46.86 O +HETATM17748 H2 NAG E 2 150.110 191.805 227.730 1.00 58.55 H +HETATM17749 H3 NAG E 2 151.487 189.748 229.110 1.00 83.98 H +HETATM17750 H4 NAG E 2 149.151 189.394 227.526 1.00 85.12 H +HETATM17751 H5 NAG E 2 151.813 188.590 226.942 1.00 61.06 H +HETATM17752 H61 NAG E 2 150.357 186.978 226.081 1.00 46.86 H +HETATM17753 H62 NAG E 2 151.048 187.780 224.896 1.00 46.86 H +HETATM17754 H81 NAG E 2 152.087 195.396 229.653 1.00 44.63 H +HETATM17755 H82 NAG E 2 153.255 194.320 229.520 1.00 44.63 H +HETATM17756 H83 NAG E 2 152.160 194.170 230.668 1.00 44.63 H +HETATM17757 HN2 NAG E 2 152.358 191.995 229.347 1.00 54.12 H +HETATM17758 HO3 NAG E 2 150.159 190.219 230.588 1.00 63.47 H +HETATM17759 HO6 NAG E 2 148.848 187.561 224.594 1.00 73.96 H +HETATM17760 C1 MAN E 3 149.052 187.831 229.677 1.00 79.24 C +HETATM17761 C2 MAN E 3 149.552 186.617 230.505 1.00 73.60 C +HETATM17762 C3 MAN E 3 148.413 185.880 231.227 1.00 76.79 C +HETATM17763 C4 MAN E 3 147.194 185.565 230.318 1.00 72.78 C +HETATM17764 C5 MAN E 3 147.110 186.492 229.092 1.00 68.30 C +HETATM17765 C6 MAN E 3 145.671 186.706 228.643 1.00 71.80 C +HETATM17766 O2 MAN E 3 150.447 187.049 231.538 1.00 67.99 O +HETATM17767 O3 MAN E 3 147.988 186.581 232.396 1.00 77.18 O +HETATM17768 O4 MAN E 3 147.264 184.213 229.872 1.00 67.62 O +HETATM17769 O5 MAN E 3 147.653 187.784 229.406 1.00 65.96 O +HETATM17770 O6 MAN E 3 144.964 185.476 228.800 1.00 70.01 O +HETATM17771 H2 MAN E 3 150.060 185.921 229.823 1.00 88.32 H +HETATM17772 H3 MAN E 3 148.806 184.923 231.586 1.00 92.15 H +HETATM17773 H4 MAN E 3 146.280 185.723 230.916 1.00 87.34 H +HETATM17774 H5 MAN E 3 147.669 186.041 228.261 1.00 81.96 H +HETATM17775 H61 MAN E 3 145.677 187.038 227.593 1.00 86.16 H +HETATM17776 H62 MAN E 3 145.242 187.508 229.258 1.00 86.16 H +HETATM17777 HO2 MAN E 3 149.931 187.359 232.292 1.00 81.59 H +HETATM17778 HO3 MAN E 3 147.506 187.358 232.068 1.00 92.62 H +HETATM17779 HO4 MAN E 3 146.426 184.054 229.409 1.00 81.14 H +HETATM17780 HO6 MAN E 3 144.025 185.662 228.676 1.00 84.01 H +HETATM17781 C1 NAG F 1 134.359 228.106 232.696 1.00 81.28 C +HETATM17782 C2 NAG F 1 134.034 228.309 234.161 1.00 78.60 C +HETATM17783 C3 NAG F 1 132.767 229.147 234.302 1.00 86.02 C +HETATM17784 C4 NAG F 1 132.842 230.422 233.465 1.00102.89 C +HETATM17785 C5 NAG F 1 133.384 230.163 232.054 1.00 73.81 C +HETATM17786 C6 NAG F 1 133.761 231.438 231.332 1.00 75.05 C +HETATM17787 C7 NAG F 1 134.551 226.696 235.946 1.00 60.99 C +HETATM17788 C8 NAG F 1 134.263 225.332 236.501 1.00 60.58 C +HETATM17789 N2 NAG F 1 133.881 227.030 234.838 1.00 64.39 N +HETATM17790 O3 NAG F 1 132.586 229.483 235.672 1.00 90.21 O +HETATM17791 O4 NAG F 1 131.521 230.933 233.312 1.00 98.84 O +HETATM17792 O5 NAG F 1 134.567 229.352 232.089 1.00 67.86 O +HETATM17793 O6 NAG F 1 133.287 231.444 229.992 1.00 72.18 O +HETATM17794 O7 NAG F 1 135.349 227.458 236.480 1.00 62.78 O +HETATM17795 H2 NAG F 1 134.770 228.798 234.576 1.00 94.33 H +HETATM17796 H3 NAG F 1 132.003 228.618 234.003 1.00103.22 H +HETATM17797 H4 NAG F 1 133.400 231.082 233.918 1.00123.46 H +HETATM17798 H5 NAG F 1 132.700 229.699 231.536 1.00 88.57 H +HETATM17799 H61 NAG F 1 134.733 231.524 231.325 1.00 90.06 H +HETATM17800 H62 NAG F 1 133.377 232.198 231.808 1.00 90.06 H +HETATM17801 H81 NAG F 1 134.829 225.172 237.280 1.00 72.69 H +HETATM17802 H82 NAG F 1 134.449 224.658 235.820 1.00 72.69 H +HETATM17803 H83 NAG F 1 133.325 225.280 236.764 1.00 72.69 H +HETATM17804 HN2 NAG F 1 133.300 226.422 234.485 1.00 77.27 H +HETATM17805 HO3 NAG F 1 132.238 230.298 235.734 1.00108.25 H +HETATM17806 C1 NAG F 2 131.326 232.253 233.848 1.00 87.87 C +HETATM17807 C2 NAG F 2 130.127 232.861 233.117 1.00 94.53 C +HETATM17808 C3 NAG F 2 129.799 234.236 233.690 1.00 99.90 C +HETATM17809 C4 NAG F 2 129.595 234.142 235.194 1.00 98.22 C +HETATM17810 C5 NAG F 2 130.825 233.511 235.837 1.00 91.36 C +HETATM17811 C6 NAG F 2 130.670 233.295 237.325 1.00 85.20 C +HETATM17812 C7 NAG F 2 129.624 232.347 230.763 1.00 96.45 C +HETATM17813 C8 NAG F 2 130.033 232.563 229.337 1.00 97.46 C +HETATM17814 N2 NAG F 2 130.379 232.953 231.687 1.00 96.64 N +HETATM17815 O3 NAG F 2 128.621 234.739 233.069 1.00103.42 O +HETATM17816 O4 NAG F 2 129.378 235.438 235.740 1.00100.08 O +HETATM17817 O5 NAG F 2 131.064 232.221 235.255 1.00 88.48 O +HETATM17818 O6 NAG F 2 130.096 232.026 237.607 1.00 91.65 O +HETATM17819 O7 NAG F 2 128.657 231.653 231.062 1.00 96.13 O +HETATM17820 H2 NAG F 2 129.354 232.282 233.260 1.00113.43 H +HETATM17821 H3 NAG F 2 130.540 234.844 233.506 1.00119.88 H +HETATM17822 H4 NAG F 2 128.816 233.583 235.377 1.00117.87 H +HETATM17823 H5 NAG F 2 131.599 234.083 235.676 1.00109.63 H +HETATM17824 H61 NAG F 2 130.095 233.994 237.691 1.00102.24 H +HETATM17825 H62 NAG F 2 131.548 233.350 237.749 1.00102.24 H +HETATM17826 H81 NAG F 2 129.448 232.049 228.749 1.00116.95 H +HETATM17827 H82 NAG F 2 130.956 232.269 229.215 1.00116.95 H +HETATM17828 H83 NAG F 2 129.962 233.512 229.119 1.00116.95 H +HETATM17829 HN2 NAG F 2 131.084 233.458 231.404 1.00115.97 H +HETATM17830 HO3 NAG F 2 128.183 235.258 233.641 1.00124.10 H +HETATM17831 HO4 NAG F 2 128.693 235.411 236.305 1.00120.09 H +HETATM17832 HO6 NAG F 2 130.136 231.516 236.881 1.00109.98 H +HETATM17833 C4 TLF A 601 167.772 185.382 190.098 1.00 46.05 C +HETATM17834 C5 TLF A 601 166.676 185.191 190.920 1.00 43.12 C +HETATM17835 C6 TLF A 601 166.577 185.866 192.129 1.00 40.31 C +HETATM17836 C8 TLF A 601 164.140 185.384 192.612 1.00 41.39 C +HETATM17837 C9 TLF A 601 163.677 185.597 191.322 1.00 40.87 C +HETATM17838 C10 TLF A 601 162.373 185.278 190.985 1.00 41.15 C +HETATM17839 C11 TLF A 601 161.514 184.761 191.940 1.00 37.89 C +HETATM17840 C12 TLF A 601 161.965 184.556 193.230 1.00 40.98 C +HETATM17841 C13 TLF A 601 163.273 184.866 193.565 1.00 37.62 C +HETATM17842 C14 TLF A 601 163.745 184.638 194.984 1.00 31.08 C +HETATM17843 O16 TLF A 601 162.944 184.211 195.854 1.00 27.53 O +HETATM17844 O15 TLF A 601 164.938 184.882 195.297 1.00 32.65 O +HETATM17845 N7 TLF A 601 165.471 185.700 193.013 1.00 43.39 N +HETATM17846 C1 TLF A 601 167.596 186.725 192.519 1.00 48.22 C +HETATM17847 C17 TLF A 601 167.472 187.441 193.850 1.00 38.40 C +HETATM17848 C2 TLF A 601 168.702 186.913 191.694 1.00 39.32 C +HETATM17849 CL TLF A 601 169.998 187.984 192.149 1.00 42.38 CL +HETATM17850 C3 TLF A 601 168.785 186.242 190.486 1.00 38.36 C +HETATM17851 H1 TLF A 601 167.832 184.909 189.246 1.00 55.26 H +HETATM17852 H2 TLF A 601 165.961 184.588 190.642 1.00 51.75 H +HETATM17853 H3 TLF A 601 164.278 185.960 190.644 1.00 49.04 H +HETATM17854 H4 TLF A 601 162.056 185.425 190.074 1.00 49.38 H +HETATM17855 H5 TLF A 601 160.594 184.539 191.701 1.00 45.47 H +HETATM17856 H6 TLF A 601 161.363 184.188 193.905 1.00 49.17 H +HETATM17857 H8 TLF A 601 165.605 185.906 193.891 1.00 52.07 H +HETATM17858 H9 TLF A 601 166.601 187.887 193.904 1.00 46.08 H +HETATM17859 H10 TLF A 601 167.566 186.796 194.581 1.00 46.08 H +HETATM17860 H11 TLF A 601 168.182 188.113 193.921 1.00 46.08 H +HETATM17861 H12 TLF A 601 169.560 186.374 189.908 1.00 46.03 H +HETATM17862 CO COH A 602 150.906 176.108 197.486 1.00 51.34 CO +HETATM17863 CHA COH A 602 148.691 178.683 198.186 1.00 61.44 C +HETATM17864 CHB COH A 602 148.385 173.838 198.129 1.00 56.78 C +HETATM17865 CHC COH A 602 153.160 173.511 197.427 1.00 52.36 C +HETATM17866 CHD COH A 602 153.436 178.345 196.995 1.00 51.50 C +HETATM17867 NA COH A 602 148.901 176.240 198.023 1.00 62.46 N +HETATM17868 C1A COH A 602 148.210 177.401 198.314 1.00 55.04 C +HETATM17869 C2A COH A 602 146.889 177.033 198.779 1.00 56.77 C +HETATM17870 C3A COH A 602 146.802 175.701 198.763 1.00 61.93 C +HETATM17871 C4A COH A 602 148.065 175.171 198.289 1.00 60.71 C +HETATM17872 CMA COH A 602 145.563 174.876 199.181 1.00 59.14 C +HETATM17873 CAA COH A 602 145.768 178.001 199.218 1.00 59.40 C +HETATM17874 CBA COH A 602 145.030 178.524 197.991 1.00 69.91 C +HETATM17875 CGA COH A 602 143.791 179.281 198.403 1.00 84.19 C +HETATM17876 O1A COH A 602 143.456 179.290 199.616 1.00101.62 O +HETATM17877 O2A COH A 602 143.133 179.876 197.511 1.00 78.38 O +HETATM17878 NB COH A 602 150.786 174.048 197.709 1.00 63.20 N +HETATM17879 C1B COH A 602 149.660 173.318 198.022 1.00 52.84 C +HETATM17880 C2B COH A 602 150.037 171.931 198.213 1.00 51.34 C +HETATM17881 C3B COH A 602 151.370 171.840 198.023 1.00 52.30 C +HETATM17882 C4B COH A 602 151.851 173.173 197.701 1.00 57.42 C +HETATM17883 CMB COH A 602 148.998 170.845 198.580 1.00 66.52 C +HETATM17884 CAB COH A 602 152.342 170.628 198.085 1.00 54.87 C +HETATM17885 CBB COH A 602 151.986 169.346 198.232 1.00 52.55 C +HETATM17886 NC COH A 602 152.952 175.966 197.307 1.00 58.73 N +HETATM17887 C1C COH A 602 153.649 174.780 197.190 1.00 58.51 C +HETATM17888 C2C COH A 602 154.994 175.096 196.773 1.00 52.64 C +HETATM17889 C3C COH A 602 155.101 176.426 196.650 1.00 53.76 C +HETATM17890 C4C COH A 602 153.801 177.009 196.984 1.00 54.45 C +HETATM17891 CMC COH A 602 156.103 174.045 196.527 1.00 46.17 C +HETATM17892 CAC COH A 602 156.421 177.116 196.212 1.00 47.53 C +HETATM17893 CBC COH A 602 156.594 178.440 196.166 1.00 52.64 C +HETATM17894 ND COH A 602 151.023 178.194 197.545 1.00 57.42 N +HETATM17895 C1D COH A 602 152.219 178.883 197.383 1.00 51.01 C +HETATM17896 C2D COH A 602 151.996 180.282 197.687 1.00 51.13 C +HETATM17897 C3D COH A 602 150.506 180.395 198.059 1.00 57.24 C +HETATM17898 C4D COH A 602 149.995 179.047 197.942 1.00 56.80 C +HETATM17899 CMD COH A 602 153.050 181.414 197.635 1.00 47.91 C +HETATM17900 CAD COH A 602 149.697 181.651 198.479 1.00 61.23 C +HETATM17901 CBD COH A 602 150.242 182.222 199.787 1.00 50.18 C +HETATM17902 CGD COH A 602 149.143 182.781 200.664 1.00 44.96 C +HETATM17903 O1D COH A 602 148.538 183.842 200.335 1.00 70.09 O +HETATM17904 O2D COH A 602 148.882 182.165 201.728 1.00 48.69 O +HETATM17905 HHA COH A 602 148.040 179.410 198.278 1.00 73.72 H +HETATM17906 HHB COH A 602 147.639 173.209 198.035 1.00 68.14 H +HETATM17907 HHC COH A 602 153.808 172.776 197.397 1.00 62.84 H +HETATM17908 HHD COH A 602 154.115 178.983 196.693 1.00 61.80 H +HETATM17909 HMA1 COH A 602 145.756 173.921 199.077 1.00 70.97 H +HETATM17910 HMA2 COH A 602 144.802 175.119 198.612 1.00 70.97 H +HETATM17911 HMA3 COH A 602 145.344 175.066 200.117 1.00 70.97 H +HETATM17912 HAA1 COH A 602 146.157 178.746 199.703 1.00 71.28 H +HETATM17913 HAA2 COH A 602 145.144 177.532 199.794 1.00 71.28 H +HETATM17914 HBA1 COH A 602 144.776 177.777 197.427 1.00 83.89 H +HETATM17915 HBA2 COH A 602 145.616 179.116 197.493 1.00 83.89 H +HETATM17916 HMB1 COH A 602 149.443 169.988 198.664 1.00 79.82 H +HETATM17917 HMB2 COH A 602 148.325 170.794 197.884 1.00 79.82 H +HETATM17918 HMB3 COH A 602 148.575 171.074 199.423 1.00 79.82 H +HETATM17919 HAB COH A 602 153.280 170.816 198.011 1.00 65.84 H +HETATM17920 HBB1 COH A 602 151.048 169.108 198.307 1.00 63.06 H +HETATM17921 HBB2 COH A 602 152.665 168.654 198.260 1.00 63.06 H +HETATM17922 HMC1 COH A 602 156.919 174.493 196.254 1.00 55.41 H +HETATM17923 HMC2 COH A 602 155.821 173.435 195.827 1.00 55.41 H +HETATM17924 HMC3 COH A 602 156.264 173.548 197.344 1.00 55.41 H +HETATM17925 HAC COH A 602 157.158 176.556 195.958 1.00 57.04 H +HETATM17926 HBC1 COH A 602 155.870 179.033 196.420 1.00 63.16 H +HETATM17927 HBC2 COH A 602 157.446 178.808 195.883 1.00 63.16 H +HETATM17928 HMD1 COH A 602 152.630 182.263 197.888 1.00 57.49 H +HETATM17929 HMD2 COH A 602 153.407 181.486 196.725 1.00 57.49 H +HETATM17930 HMD3 COH A 602 153.779 181.211 198.257 1.00 57.49 H +HETATM17931 HAD1 COH A 602 148.766 181.406 198.599 1.00 73.47 H +HETATM17932 HAD2 COH A 602 149.765 182.323 197.783 1.00 73.47 H +HETATM17933 HBD1 COH A 602 150.873 182.929 199.583 1.00 60.22 H +HETATM17934 HBD2 COH A 602 150.702 181.518 200.270 1.00 60.22 H +HETATM17935 P PO4 A 608 147.229 180.623 219.318 1.00111.85 P +HETATM17936 O1 PO4 A 608 148.124 180.625 218.104 1.00111.12 O +HETATM17937 O2 PO4 A 608 145.945 181.350 218.997 1.00201.58 O +HETATM17938 O3 PO4 A 608 147.930 181.314 220.463 1.00 73.70 O +HETATM17939 O4 PO4 A 608 146.929 179.196 219.707 1.00 79.29 O +HETATM17940 P PO4 A 609 154.761 205.371 191.041 1.00134.37 P +HETATM17941 O1 PO4 A 609 155.599 205.111 189.812 1.00 91.07 O +HETATM17942 O2 PO4 A 609 154.811 204.170 191.954 1.00115.60 O +HETATM17943 O3 PO4 A 609 153.328 205.612 190.634 1.00 77.22 O +HETATM17944 O4 PO4 A 609 155.296 206.581 191.769 1.00 93.69 O +HETATM17945 P PO4 A 610 164.880 173.936 176.716 1.00285.65 P +HETATM17946 O1 PO4 A 610 165.570 173.845 175.375 1.00168.08 O +HETATM17947 O2 PO4 A 610 165.020 175.338 177.260 1.00163.70 O +HETATM17948 O3 PO4 A 610 163.419 173.598 176.550 1.00184.22 O +HETATM17949 O4 PO4 A 610 165.504 172.958 177.681 1.00146.79 O +HETATM17950 C4 TLF B 601 167.737 223.191 218.252 1.00 32.44 C +HETATM17951 C5 TLF B 601 166.652 222.465 218.716 1.00 28.70 C +HETATM17952 C6 TLF B 601 166.038 221.518 217.907 1.00 27.10 C +HETATM17953 C8 TLF B 601 164.664 220.330 219.667 1.00 28.87 C +HETATM17954 C9 TLF B 601 165.635 220.344 220.659 1.00 24.72 C +HETATM17955 C10 TLF B 601 165.326 219.925 221.942 1.00 26.44 C +HETATM17956 C11 TLF B 601 164.051 219.475 222.239 1.00 27.34 C +HETATM17957 C12 TLF B 601 163.081 219.446 221.252 1.00 26.35 C +HETATM17958 C13 TLF B 601 163.390 219.873 219.971 1.00 25.61 C +HETATM17959 C14 TLF B 601 162.329 219.835 218.893 1.00 29.90 C +HETATM17960 O16 TLF B 601 161.160 219.451 219.161 1.00 25.39 O +HETATM17961 O15 TLF B 601 162.623 220.177 217.719 1.00 28.00 O +HETATM17962 N7 TLF B 601 164.917 220.744 218.329 1.00 27.91 N +HETATM17963 C1 TLF B 601 166.507 221.315 216.617 1.00 27.29 C +HETATM17964 C17 TLF B 601 165.817 220.284 215.742 1.00 26.25 C +HETATM17965 C2 TLF B 601 167.593 222.047 216.147 1.00 33.09 C +HETATM17966 CL TLF B 601 168.191 221.801 214.530 1.00 35.71 CL +HETATM17967 C3 TLF B 601 168.207 222.983 216.964 1.00 31.07 C +HETATM17968 H1 TLF B 601 168.167 223.851 218.829 1.00 38.92 H +HETATM17969 H2 TLF B 601 166.326 222.610 219.625 1.00 34.44 H +HETATM17970 H3 TLF B 601 166.533 220.666 220.455 1.00 29.66 H +HETATM17971 H4 TLF B 601 166.009 219.945 222.638 1.00 31.73 H +HETATM17972 H5 TLF B 601 163.836 219.177 223.143 1.00 32.81 H +HETATM17973 H6 TLF B 601 162.181 219.129 221.459 1.00 31.62 H +HETATM17974 H8 TLF B 601 164.382 220.397 217.677 1.00 33.49 H +HETATM17975 H9 TLF B 601 166.343 220.139 214.927 1.00 31.49 H +HETATM17976 H10 TLF B 601 165.747 219.439 216.233 1.00 31.49 H +HETATM17977 H11 TLF B 601 164.918 220.598 215.510 1.00 31.49 H +HETATM17978 H12 TLF B 601 168.967 223.497 216.633 1.00 37.28 H +HETATM17979 CO COH B 602 151.789 217.981 230.278 1.00 45.30 CO +HETATM17980 CHA COH B 602 151.900 214.588 230.719 1.00 53.77 C +HETATM17981 CHB COH B 602 149.122 218.104 232.567 1.00 54.98 C +HETATM17982 CHC COH B 602 151.108 221.205 229.431 1.00 51.10 C +HETATM17983 CHD COH B 602 154.164 217.792 227.797 1.00 54.95 C +HETATM17984 NA COH B 602 150.677 216.602 231.404 1.00 70.48 N +HETATM17985 C1A COH B 602 150.979 215.257 231.486 1.00 57.20 C +HETATM17986 C2A COH B 602 150.150 214.659 232.516 1.00 64.67 C +HETATM17987 C3A COH B 602 149.384 215.629 233.028 1.00 66.33 C +HETATM17988 C4A COH B 602 149.695 216.869 232.341 1.00 65.51 C +HETATM17989 CMA COH B 602 148.342 215.458 234.157 1.00 61.65 C +HETATM17990 CAA COH B 602 150.145 213.172 232.960 1.00 58.68 C +HETATM17991 CBA COH B 602 151.565 212.677 233.233 1.00 69.45 C +HETATM17992 CGA COH B 602 151.561 211.318 233.891 1.00 74.91 C +HETATM17993 O1A COH B 602 150.462 210.796 234.212 1.00 82.73 O +HETATM17994 O2A COH B 602 152.677 210.768 234.090 1.00 74.60 O +HETATM17995 NB COH B 602 150.395 219.397 230.929 1.00 65.46 N +HETATM17996 C1B COH B 602 149.339 219.230 231.802 1.00 52.08 C +HETATM17997 C2B COH B 602 148.516 220.425 231.777 1.00 49.46 C +HETATM17998 C3B COH B 602 149.068 221.277 230.891 1.00 52.15 C +HETATM17999 C4B COH B 602 150.258 220.644 230.358 1.00 52.33 C +HETATM18000 CMB COH B 602 147.234 220.582 232.628 1.00 53.91 C +HETATM18001 CAB COH B 602 148.646 222.706 230.453 1.00 56.75 C +HETATM18002 CBB COH B 602 147.826 223.497 231.154 1.00 59.32 C +HETATM18003 NC COH B 602 152.480 219.243 228.821 1.00 50.73 N +HETATM18004 C1C COH B 602 152.125 220.574 228.747 1.00 54.74 C +HETATM18005 C2C COH B 602 153.016 221.218 227.815 1.00 47.67 C +HETATM18006 C3C COH B 602 153.873 220.305 227.342 1.00 47.39 C +HETATM18007 C4C COH B 602 153.552 219.024 227.974 1.00 52.36 C +HETATM18008 CMC COH B 602 152.947 222.721 227.453 1.00 42.28 C +HETATM18009 CAC COH B 602 154.976 220.664 226.311 1.00 44.12 C +HETATM18010 CBC COH B 602 155.804 219.772 225.763 1.00 47.91 C +HETATM18011 ND COH B 602 152.887 216.438 229.413 1.00 64.14 N +HETATM18012 C1D COH B 602 153.769 216.585 228.350 1.00 52.42 C +HETATM18013 C2D COH B 602 154.199 215.268 227.915 1.00 53.73 C +HETATM18014 C3D COH B 602 153.481 214.266 228.840 1.00 56.59 C +HETATM18015 C4D COH B 602 152.697 215.097 229.725 1.00 53.62 C +HETATM18016 CMD COH B 602 155.181 214.946 226.766 1.00 50.21 C +HETATM18017 CAD COH B 602 153.534 212.710 228.883 1.00 45.28 C +HETATM18018 CBD COH B 602 153.279 212.063 227.522 1.00 49.64 C +HETATM18019 CGD COH B 602 152.639 210.699 227.690 1.00 45.31 C +HETATM18020 O1D COH B 602 153.340 209.687 227.994 1.00 67.93 O +HETATM18021 O2D COH B 602 151.397 210.617 227.502 1.00 47.02 O +HETATM18022 HHA COH B 602 152.000 213.631 230.903 1.00 64.53 H +HETATM18023 HHB COH B 602 148.656 218.228 233.420 1.00 65.98 H +HETATM18024 HHC COH B 602 150.976 222.157 229.237 1.00 61.33 H +HETATM18025 HHD COH B 602 154.957 217.773 227.221 1.00 65.94 H +HETATM18026 HMA1 COH B 602 147.919 216.322 234.345 1.00 73.97 H +HETATM18027 HMA2 COH B 602 148.788 215.130 234.966 1.00 73.97 H +HETATM18028 HMA3 COH B 602 147.659 214.814 233.876 1.00 73.97 H +HETATM18029 HAA1 COH B 602 149.749 212.632 232.259 1.00 70.41 H +HETATM18030 HAA2 COH B 602 149.616 213.083 233.768 1.00 70.41 H +HETATM18031 HBA1 COH B 602 152.014 213.310 233.816 1.00 83.34 H +HETATM18032 HBA2 COH B 602 152.048 212.622 232.394 1.00 83.34 H +HETATM18033 HMB1 COH B 602 146.840 221.453 232.461 1.00 64.70 H +HETATM18034 HMB2 COH B 602 147.459 220.505 233.568 1.00 64.70 H +HETATM18035 HMB3 COH B 602 146.600 219.888 232.389 1.00 64.70 H +HETATM18036 HAB COH B 602 148.997 223.043 229.626 1.00 68.10 H +HETATM18037 HBB1 COH B 602 147.457 223.189 231.996 1.00 71.18 H +HETATM18038 HBB2 COH B 602 147.603 224.381 230.821 1.00 71.18 H +HETATM18039 HMC1 COH B 602 153.641 222.930 226.809 1.00 50.74 H +HETATM18040 HMC2 COH B 602 153.078 223.253 228.254 1.00 50.74 H +HETATM18041 HMC3 COH B 602 152.079 222.922 227.070 1.00 50.74 H +HETATM18042 HAC COH B 602 155.068 221.584 226.052 1.00 52.95 H +HETATM18043 HBC1 COH B 602 155.734 218.834 226.002 1.00 57.49 H +HETATM18044 HBC2 COH B 602 156.474 220.061 225.124 1.00 57.49 H +HETATM18045 HMD1 COH B 602 155.290 213.975 226.692 1.00 60.25 H +HETATM18046 HMD2 COH B 602 156.049 215.359 226.954 1.00 60.25 H +HETATM18047 HMD3 COH B 602 154.826 215.300 225.924 1.00 60.25 H +HETATM18048 HAD1 COH B 602 152.865 212.393 229.509 1.00 54.33 H +HETATM18049 HAD2 COH B 602 154.410 212.438 229.198 1.00 54.33 H +HETATM18050 HBD1 COH B 602 154.122 211.965 227.052 1.00 59.57 H +HETATM18051 HBD2 COH B 602 152.689 212.631 227.004 1.00 59.57 H +HETATM18052 C1 NAG B 603 188.617 199.253 231.006 1.00 96.35 C +HETATM18053 C2 NAG B 603 190.063 199.546 231.420 1.00101.03 C +HETATM18054 C3 NAG B 603 190.421 198.766 232.684 1.00 99.53 C +HETATM18055 C4 NAG B 603 189.401 199.035 233.781 1.00101.01 C +HETATM18056 C5 NAG B 603 188.000 198.726 233.266 1.00101.11 C +HETATM18057 C6 NAG B 603 186.913 199.037 234.268 1.00101.45 C +HETATM18058 C7 NAG B 603 191.654 200.140 229.638 1.00 93.39 C +HETATM18059 C8 NAG B 603 192.563 199.612 228.568 1.00 91.46 C +HETATM18060 N2 NAG B 603 190.986 199.220 230.344 1.00 97.74 N +HETATM18061 O3 NAG B 603 191.719 199.148 233.123 1.00 98.66 O +HETATM18062 O4 NAG B 603 189.683 198.227 234.918 1.00100.81 O +HETATM18063 O5 NAG B 603 187.735 199.525 232.104 1.00101.46 O +HETATM18064 O6 NAG B 603 185.887 198.053 234.239 1.00101.41 O +HETATM18065 O7 NAG B 603 191.531 201.342 229.852 1.00 93.50 O +HETATM18066 H2 NAG B 603 190.138 200.498 231.620 1.00121.24 H +HETATM18067 H3 NAG B 603 190.423 197.812 232.479 1.00119.43 H +HETATM18068 H4 NAG B 603 189.448 199.976 234.038 1.00121.21 H +HETATM18069 H5 NAG B 603 187.951 197.783 233.022 1.00121.33 H +HETATM18070 H61 NAG B 603 186.525 199.908 234.059 1.00121.74 H +HETATM18071 H62 NAG B 603 187.302 199.066 235.162 1.00121.74 H +HETATM18072 H81 NAG B 603 192.969 200.358 228.088 1.00109.75 H +HETATM18073 H82 NAG B 603 192.048 199.065 227.944 1.00109.75 H +HETATM18074 H83 NAG B 603 193.263 199.067 228.976 1.00109.75 H +HETATM18075 HN2 NAG B 603 191.118 198.341 230.141 1.00117.29 H +HETATM18076 HO3 NAG B 603 191.918 198.714 233.872 1.00118.39 H +HETATM18077 HO4 NAG B 603 189.593 198.712 235.656 1.00120.97 H +HETATM18078 HO6 NAG B 603 185.261 198.262 234.833 1.00121.69 H +HETATM18079 P PO4 B 609 136.889 204.959 219.682 1.00137.46 P +HETATM18080 O1 PO4 B 609 136.722 203.839 218.683 1.00130.99 O +HETATM18081 O2 PO4 B 609 136.492 206.253 219.017 1.00131.81 O +HETATM18082 O3 PO4 B 609 136.016 204.699 220.886 1.00115.85 O +HETATM18083 O4 PO4 B 609 138.326 205.049 220.135 1.00100.60 O +HETATM18084 P PO4 B 610 174.681 200.649 220.863 1.00 63.42 P +HETATM18085 O1 PO4 B 610 174.891 199.731 219.683 1.00 82.32 O +HETATM18086 O2 PO4 B 610 173.359 201.362 220.721 1.00 92.60 O +HETATM18087 O3 PO4 B 610 174.675 199.829 222.130 1.00 58.55 O +HETATM18088 O4 PO4 B 610 175.787 201.675 220.917 1.00 62.26 O +HETATM18089 P PO4 B 611 170.584 234.473 231.863 1.00166.59 P +HETATM18090 O1 PO4 B 611 170.901 233.330 230.929 1.00 69.94 O +HETATM18091 O2 PO4 B 611 169.295 235.114 231.410 1.00 99.15 O +HETATM18092 O3 PO4 B 611 170.433 233.968 233.278 1.00 83.30 O +HETATM18093 O4 PO4 B 611 171.708 235.481 231.826 1.00152.14 O +HETATM18094 O HOH A 701 150.206 165.120 187.739 1.00 60.81 O +HETATM18095 O HOH A 702 148.736 199.135 202.987 1.00 23.76 O +HETATM18096 O HOH A 703 180.090 190.999 206.633 1.00 37.27 O +HETATM18097 O HOH A 704 167.587 162.679 212.053 1.00 35.52 O +HETATM18098 O HOH A 705 161.869 206.216 185.067 1.00 32.54 O +HETATM18099 O HOH A 706 183.653 179.477 191.654 1.00 43.33 O +HETATM18100 O HOH A 707 179.000 199.809 200.092 1.00 61.54 O +HETATM18101 O HOH A 708 161.160 185.298 229.516 1.00 36.10 O +HETATM18102 O HOH A 709 160.483 206.577 176.315 1.00 52.07 O +HETATM18103 O HOH A 710 162.251 184.208 178.498 1.00 48.45 O +HETATM18104 O HOH A 711 157.807 195.892 198.702 1.00 27.51 O +HETATM18105 O HOH A 712 153.301 162.360 219.817 1.00 54.87 O +HETATM18106 O HOH A 713 166.124 170.264 227.684 1.00 52.45 O +HETATM18107 O HOH A 714 153.128 182.069 212.002 1.00 44.04 O +HETATM18108 O HOH A 715 156.762 197.336 206.591 1.00 22.35 O +HETATM18109 O HOH A 716 183.879 189.637 213.800 1.00 41.76 O +HETATM18110 O HOH A 717 170.595 169.333 216.377 1.00 32.85 O +HETATM18111 O HOH A 718 162.682 183.264 230.549 1.00 29.56 O +HETATM18112 O HOH A 719 141.300 180.132 200.777 1.00 48.21 O +HETATM18113 O HOH A 720 165.186 158.642 208.768 1.00 48.23 O +HETATM18114 O HOH A 721 174.920 194.423 219.340 1.00 33.19 O +HETATM18115 O HOH A 722 177.877 185.769 205.115 1.00 31.62 O +HETATM18116 O HOH A 723 174.990 189.519 223.222 1.00 26.15 O +HETATM18117 O HOH A 724 148.615 188.215 212.266 1.00 37.34 O +HETATM18118 O HOH A 725 139.507 210.576 189.416 1.00 41.30 O +HETATM18119 O HOH A 726 163.024 190.680 206.212 1.00 22.43 O +HETATM18120 O HOH A 727 146.601 196.602 182.622 1.00 39.29 O +HETATM18121 O HOH A 728 140.280 199.892 194.792 1.00 51.02 O +HETATM18122 O HOH A 729 165.335 187.870 219.023 1.00 20.32 O +HETATM18123 O HOH A 730 147.949 210.807 196.573 1.00 28.51 O +HETATM18124 O HOH A 731 161.172 159.742 224.217 1.00 46.58 O +HETATM18125 O HOH A 732 142.780 171.391 192.694 1.00 52.70 O +HETATM18126 O HOH A 733 173.190 180.370 230.259 1.00 42.43 O +HETATM18127 O HOH A 734 158.693 205.690 199.460 1.00 27.84 O +HETATM18128 O HOH A 735 163.159 185.383 198.654 1.00 29.99 O +HETATM18129 O HOH A 736 148.650 172.536 209.713 1.00 45.48 O +HETATM18130 O HOH A 737 173.249 196.053 205.004 1.00 21.98 O +HETATM18131 O HOH A 738 151.948 197.202 176.413 1.00 53.21 O +HETATM18132 O HOH A 739 144.813 205.745 207.985 1.00 35.48 O +HETATM18133 O HOH A 740 163.059 205.956 199.859 1.00 28.96 O +HETATM18134 O HOH A 741 164.226 179.698 208.733 1.00 19.77 O +HETATM18135 O HOH A 742 182.699 185.471 213.892 1.00 34.78 O +HETATM18136 O HOH A 743 162.572 179.454 226.036 1.00 30.98 O +HETATM18137 O HOH A 744 159.537 187.270 225.404 1.00 38.04 O +HETATM18138 O HOH A 745 153.713 199.930 183.892 1.00 42.38 O +HETATM18139 O HOH A 746 172.345 188.812 223.227 1.00 23.69 O +HETATM18140 O HOH A 747 158.518 175.944 210.876 1.00 21.59 O +HETATM18141 O HOH A 748 166.393 159.870 210.796 1.00 39.63 O +HETATM18142 O HOH A 749 146.618 194.610 198.902 1.00 24.47 O +HETATM18143 O HOH A 750 154.519 199.390 197.239 1.00 25.84 O +HETATM18144 O HOH A 751 141.467 200.377 204.724 1.00 29.63 O +HETATM18145 O HOH A 752 158.092 175.734 215.270 1.00 24.36 O +HETATM18146 O HOH A 753 150.489 214.897 181.331 1.00 48.09 O +HETATM18147 O HOH A 754 170.499 186.873 230.208 1.00 31.37 O +HETATM18148 O HOH A 755 150.456 205.196 199.821 1.00 26.37 O +HETATM18149 O HOH A 756 143.944 202.759 209.479 1.00 26.01 O +HETATM18150 O HOH A 757 181.545 178.957 200.319 1.00 53.61 O +HETATM18151 O HOH A 758 157.445 199.024 194.857 1.00 30.78 O +HETATM18152 O HOH A 759 147.553 167.104 220.074 1.00 55.27 O +HETATM18153 O HOH A 760 171.206 169.347 224.352 1.00 35.42 O +HETATM18154 O HOH A 761 159.383 163.652 224.360 1.00 43.71 O +HETATM18155 O HOH A 762 163.152 177.025 205.252 1.00 27.48 O +HETATM18156 O HOH A 763 157.136 198.270 197.512 1.00 40.56 O +HETATM18157 O HOH A 764 179.237 175.635 205.541 1.00 46.42 O +HETATM18158 O HOH A 765 176.934 180.866 196.805 1.00 40.29 O +HETATM18159 O HOH A 766 151.409 200.139 200.705 1.00 31.43 O +HETATM18160 O HOH A 767 149.099 163.805 210.576 1.00 54.97 O +HETATM18161 O HOH A 768 146.863 190.547 185.565 1.00 41.62 O +HETATM18162 O HOH A 769 157.257 185.380 218.154 1.00 20.82 O +HETATM18163 O HOH A 770 163.365 154.930 205.651 1.00 55.78 O +HETATM18164 O HOH A 771 178.740 201.351 215.843 1.00 41.21 O +HETATM18165 O HOH A 772 172.980 201.248 204.241 1.00 32.08 O +HETATM18166 O HOH A 773 147.968 196.305 189.417 1.00 38.15 O +HETATM18167 O HOH A 774 153.065 189.490 204.780 1.00 28.04 O +HETATM18168 O HOH A 775 147.272 185.822 193.148 1.00 45.44 O +HETATM18169 O HOH A 776 168.161 171.773 227.606 1.00 57.95 O +HETATM18170 O HOH A 777 147.364 187.513 187.207 1.00 46.15 O +HETATM18171 O HOH A 778 158.183 199.236 204.788 1.00 27.54 O +HETATM18172 O HOH A 779 157.533 185.852 227.138 1.00 37.06 O +HETATM18173 O HOH A 780 159.746 190.929 199.971 1.00 16.42 O +HETATM18174 O HOH A 781 173.018 159.247 205.012 1.00 48.17 O +HETATM18175 O HOH A 782 157.130 210.834 189.186 1.00 35.95 O +HETATM18176 O HOH A 783 161.268 187.095 219.868 1.00 23.05 O +HETATM18177 O HOH A 784 174.358 190.460 200.668 1.00 26.46 O +HETATM18178 O HOH A 785 180.215 194.086 211.072 1.00 41.29 O +HETATM18179 O HOH A 786 155.270 188.290 209.956 1.00 23.18 O +HETATM18180 O HOH A 787 160.109 216.787 194.249 1.00 38.50 O +HETATM18181 O HOH A 788 155.627 200.448 193.559 1.00 47.20 O +HETATM18182 O HOH A 789 150.507 180.747 204.447 1.00 42.18 O +HETATM18183 O HOH A 790 157.867 190.256 213.394 1.00 22.86 O +HETATM18184 O HOH A 791 168.290 183.492 186.590 1.00 41.88 O +HETATM18185 O HOH A 792 146.430 202.109 209.390 1.00 30.10 O +HETATM18186 O HOH A 793 166.088 214.587 174.927 1.00 55.91 O +HETATM18187 O HOH A 794 155.875 216.397 185.658 1.00 42.37 O +HETATM18188 O HOH A 795 159.341 198.992 202.185 1.00 30.09 O +HETATM18189 O HOH A 796 160.133 192.935 210.365 1.00 26.81 O +HETATM18190 O HOH A 797 159.475 163.688 190.299 1.00 47.54 O +HETATM18191 O HOH A 798 144.371 189.434 186.580 1.00 48.66 O +HETATM18192 O HOH A 799 157.576 191.986 198.354 1.00 22.86 O +HETATM18193 O HOH A 800 137.524 184.835 176.220 1.00 99.18 O +HETATM18194 O HOH A 801 176.647 171.709 217.525 1.00 36.28 O +HETATM18195 O HOH A 802 146.637 193.662 196.375 1.00 28.42 O +HETATM18196 O HOH A 803 150.872 197.388 202.938 1.00 30.72 O +HETATM18197 O HOH A 804 156.981 186.800 215.012 1.00 30.73 O +HETATM18198 O HOH A 805 158.185 174.326 219.937 1.00 33.80 O +HETATM18199 O HOH A 806 180.720 179.116 215.391 1.00 32.63 O +HETATM18200 O HOH A 807 159.746 193.999 198.462 1.00 24.84 O +HETATM18201 O HOH A 808 149.907 202.488 186.897 1.00 45.97 O +HETATM18202 O HOH A 809 156.373 195.446 209.202 1.00 36.93 O +HETATM18203 O HOH A 810 149.429 206.335 188.192 1.00 42.29 O +HETATM18204 O HOH A 811 156.439 200.542 207.611 1.00 29.89 O +HETATM18205 O HOH A 812 149.823 183.769 211.486 1.00 34.45 O +HETATM18206 O HOH A 813 159.587 175.112 212.997 1.00 24.01 O +HETATM18207 O HOH A 814 180.306 177.229 222.104 1.00 55.90 O +HETATM18208 O HOH A 815 157.311 174.162 217.472 1.00 30.01 O +HETATM18209 O HOH A 816 163.040 196.898 209.350 1.00 37.12 O +HETATM18210 O HOH A 817 162.495 215.613 187.716 1.00 44.52 O +HETATM18211 O HOH A 818 159.747 194.141 206.978 1.00 31.19 O +HETATM18212 O HOH A 819 148.565 198.569 210.755 1.00 36.44 O +HETATM18213 O HOH A 820 168.757 209.336 184.215 1.00 59.65 O +HETATM18214 O HOH A 821 184.135 188.492 203.370 1.00 48.78 O +HETATM18215 O HOH A 822 161.942 209.538 193.005 1.00 41.67 O +HETATM18216 O HOH A 823 174.091 204.630 196.777 1.00 36.63 O +HETATM18217 O HOH A 824 156.292 188.038 207.577 1.00 25.88 O +HETATM18218 O HOH A 825 181.572 185.711 211.477 1.00 33.53 O +HETATM18219 O HOH A 826 155.790 187.717 218.216 1.00 30.19 O +HETATM18220 O HOH A 827 163.292 194.171 209.590 1.00 34.09 O +HETATM18221 O HOH A 828 156.756 178.454 176.590 1.00 54.43 O +HETATM18222 O HOH A 829 166.141 200.365 199.388 1.00 43.08 O +HETATM18223 O HOH A 830 170.005 205.212 202.722 1.00 37.90 O +HETATM18224 O HOH A 831 156.686 163.646 188.861 1.00 56.11 O +HETATM18225 O HOH A 832 163.139 186.398 177.056 1.00 53.82 O +HETATM18226 O HOH A 833 146.145 161.739 205.210 1.00 67.26 O +HETATM18227 O HOH A 834 162.802 187.496 200.525 1.00 24.78 O +HETATM18228 O HOH A 835 162.965 179.403 206.674 1.00 28.72 O +HETATM18229 O HOH A 836 160.153 196.935 207.766 1.00 26.66 O +HETATM18230 O HOH A 837 167.967 186.200 230.057 1.00 29.61 O +HETATM18231 O HOH A 838 171.650 200.932 211.615 1.00 18.65 O +HETATM18232 O HOH A 839 140.811 191.353 199.310 1.00 34.23 O +HETATM18233 O HOH A 840 173.031 174.026 192.110 1.00 43.87 O +HETATM18234 O HOH A 841 167.222 164.559 216.525 1.00 35.38 O +HETATM18235 O HOH A 842 164.834 184.427 231.521 1.00 34.00 O +HETATM18236 O HOH A 843 157.766 202.123 183.741 1.00 51.35 O +HETATM18237 O HOH A 844 154.560 194.767 212.815 1.00 36.85 O +HETATM18238 O HOH A 845 167.431 204.607 199.622 1.00 35.13 O +HETATM18239 O HOH A 846 173.563 190.313 229.542 1.00 44.95 O +HETATM18240 O HOH A 847 168.393 186.977 184.697 1.00 56.01 O +HETATM18241 O HOH A 848 173.541 165.551 214.728 1.00 42.26 O +HETATM18242 O HOH A 849 169.921 215.294 181.432 1.00 50.88 O +HETATM18243 O HOH A 850 150.102 155.706 194.971 1.00 46.01 O +HETATM18244 O HOH A 851 141.697 203.537 194.421 1.00 37.08 O +HETATM18245 O HOH A 852 158.220 206.181 192.958 1.00 59.01 O +HETATM18246 O HOH A 853 183.190 179.489 216.090 1.00 46.81 O +HETATM18247 O HOH A 854 171.814 203.808 204.127 1.00 37.39 O +HETATM18248 O HOH A 855 147.551 182.757 207.019 1.00 38.67 O +HETATM18249 O HOH A 856 149.172 209.851 194.160 1.00 27.63 O +HETATM18250 O HOH A 857 166.590 189.773 174.121 1.00 50.81 O +HETATM18251 O HOH A 858 147.934 201.066 211.394 1.00 39.02 O +HETATM18252 O HOH A 859 174.826 191.120 225.510 1.00 32.27 O +HETATM18253 O HOH A 860 146.772 205.398 210.684 1.00 45.67 O +HETATM18254 O HOH A 861 185.427 190.128 202.129 1.00 43.85 O +HETATM18255 O HOH A 862 180.819 182.983 200.938 1.00 47.57 O +HETATM18256 O HOH A 863 157.272 217.339 181.885 1.00 43.16 O +HETATM18257 O HOH A 864 179.945 177.992 213.269 1.00 33.57 O +HETATM18258 O HOH A 865 171.020 198.666 174.214 1.00 55.20 O +HETATM18259 O HOH A 866 181.229 189.644 207.891 1.00 45.28 O +HETATM18260 O HOH A 867 177.617 172.854 222.361 1.00 52.85 O +HETATM18261 O HOH A 868 146.062 162.243 193.937 1.00 37.26 O +HETATM18262 O HOH A 869 141.581 170.940 206.671 1.00 56.69 O +HETATM18263 O HOH A 870 158.918 195.621 209.982 1.00 36.96 O +HETATM18264 O HOH A 871 180.865 188.417 205.628 1.00 49.03 O +HETATM18265 O HOH A 872 146.001 161.261 207.520 1.00 41.22 O +HETATM18266 O HOH A 873 181.086 198.192 198.502 1.00 47.43 O +HETATM18267 O HOH A 874 159.429 200.421 208.997 1.00 48.88 O +HETATM18268 O HOH A 875 155.307 201.234 185.245 1.00 45.94 O +HETATM18269 O HOH A 876 165.467 205.956 198.816 1.00 32.25 O +HETATM18270 O HOH A 877 154.138 201.795 181.937 1.00 41.32 O +HETATM18271 O HOH A 878 181.382 198.721 196.088 1.00 47.17 O +HETATM18272 O HOH A 879 144.653 178.097 212.850 1.00 72.11 O +HETATM18273 O HOH A 880 152.365 191.990 215.157 1.00 49.79 O +HETATM18274 O HOH A 881 160.590 188.656 201.492 1.00 21.10 O +HETATM18275 O HOH A 882 179.613 177.518 217.005 1.00 46.80 O +HETATM18276 O HOH A 883 187.978 177.153 182.203 1.00 57.73 O +HETATM18277 O HOH A 884 171.465 164.831 215.293 1.00 46.38 O +HETATM18278 O HOH A 885 170.403 186.998 174.259 1.00 44.42 O +HETATM18279 O HOH A 886 189.447 179.631 182.310 1.00 49.28 O +HETATM18280 O HOH A 887 154.526 201.747 209.753 1.00 36.29 O +HETATM18281 O HOH A 888 176.593 171.374 224.119 1.00 49.69 O +HETATM18282 O HOH A 889 161.575 187.649 231.147 1.00 39.76 O +HETATM18283 O HOH A 890 148.066 185.587 213.127 1.00 37.68 O +HETATM18284 O HOH A 891 171.530 157.095 199.661 1.00 45.75 O +HETATM18285 O HOH A 892 157.708 198.761 208.505 1.00 40.14 O +HETATM18286 O HOH A 893 172.024 196.537 173.436 1.00 50.19 O +HETATM18287 O HOH A 894 156.209 197.885 210.836 1.00 35.53 O +HETATM18288 O HOH A 895 183.149 188.318 180.666 1.00 45.40 O +HETATM18289 O HOH A 896 184.539 186.707 179.763 1.00 45.56 O +HETATM18290 O HOH A 897 173.046 156.309 197.821 1.00 47.76 O +HETATM18291 O HOH B 701 160.177 197.548 221.012 1.00 23.48 O +HETATM18292 O HOH B 702 173.708 223.198 220.780 1.00 47.24 O +HETATM18293 O HOH B 703 192.469 201.413 225.101 1.00 35.80 O +HETATM18294 O HOH B 704 138.169 232.326 214.260 1.00 43.23 O +HETATM18295 O HOH B 705 147.542 239.100 217.306 1.00 51.08 O +HETATM18296 O HOH B 706 159.481 234.538 216.830 1.00 40.14 O +HETATM18297 O HOH B 707 172.722 222.378 214.847 1.00 49.80 O +HETATM18298 O HOH B 708 160.064 209.078 251.603 1.00 69.42 O +HETATM18299 O HOH B 709 130.957 220.164 201.860 1.00 51.06 O +HETATM18300 O HOH B 710 142.036 214.814 229.423 1.00 57.01 O +HETATM18301 O HOH B 711 189.915 201.017 226.057 1.00 55.59 O +HETATM18302 O HOH B 712 160.206 201.221 226.322 1.00 22.89 O +HETATM18303 O HOH B 713 147.442 202.330 215.097 1.00 42.73 O +HETATM18304 O HOH B 714 143.896 240.225 223.819 1.00 72.61 O +HETATM18305 O HOH B 715 161.837 199.047 210.381 1.00 30.41 O +HETATM18306 O HOH B 716 177.248 208.331 235.094 1.00 40.53 O +HETATM18307 O HOH B 717 159.243 188.695 219.354 1.00 27.55 O +HETATM18308 O HOH B 718 179.649 222.487 224.503 1.00 42.38 O +HETATM18309 O HOH B 719 135.508 216.064 193.953 1.00 41.18 O +HETATM18310 O HOH B 720 163.374 199.325 219.768 1.00 20.79 O +HETATM18311 O HOH B 721 195.064 213.395 219.704 1.00 52.56 O +HETATM18312 O HOH B 722 157.109 211.016 211.262 1.00 19.39 O +HETATM18313 O HOH B 723 171.360 215.302 199.118 1.00 50.62 O +HETATM18314 O HOH B 724 135.929 230.665 216.932 1.00 39.34 O +HETATM18315 O HOH B 725 180.519 209.945 233.480 1.00 44.35 O +HETATM18316 O HOH B 726 136.868 204.257 206.167 1.00 49.32 O +HETATM18317 O HOH B 727 170.569 201.837 209.614 1.00 23.43 O +HETATM18318 O HOH B 728 166.791 195.412 219.467 1.00 18.52 O +HETATM18319 O HOH B 729 173.530 196.099 224.707 1.00 31.63 O +HETATM18320 O HOH B 730 133.648 207.969 201.070 1.00 31.95 O +HETATM18321 O HOH B 731 174.203 232.624 222.198 1.00 46.00 O +HETATM18322 O HOH B 732 139.018 227.678 207.505 1.00 30.75 O +HETATM18323 O HOH B 733 169.636 199.896 213.124 1.00 21.91 O +HETATM18324 O HOH B 734 166.354 202.498 219.742 1.00 22.82 O +HETATM18325 O HOH B 735 174.089 224.435 229.234 1.00 44.00 O +HETATM18326 O HOH B 736 144.893 209.715 218.707 1.00 32.92 O +HETATM18327 O HOH B 737 125.273 214.049 212.491 1.00 36.19 O +HETATM18328 O HOH B 738 163.973 213.379 202.148 1.00 28.82 O +HETATM18329 O HOH B 739 176.805 206.598 227.486 1.00 32.70 O +HETATM18330 O HOH B 740 139.859 214.949 226.620 1.00 40.33 O +HETATM18331 O HOH B 741 133.598 222.992 205.380 1.00 45.25 O +HETATM18332 O HOH B 742 144.073 208.116 206.340 1.00 25.37 O +HETATM18333 O HOH B 743 157.073 195.253 213.681 1.00 27.39 O +HETATM18334 O HOH B 744 186.749 194.355 225.737 1.00 44.83 O +HETATM18335 O HOH B 745 166.959 205.129 236.689 1.00 39.38 O +HETATM18336 O HOH B 746 176.150 204.300 228.832 1.00 31.42 O +HETATM18337 O HOH B 747 146.557 213.022 193.361 1.00 27.70 O +HETATM18338 O HOH B 748 164.468 206.509 217.692 1.00 25.86 O +HETATM18339 O HOH B 749 137.341 225.222 207.178 1.00 36.29 O +HETATM18340 O HOH B 750 155.862 189.894 220.053 1.00 28.96 O +HETATM18341 O HOH B 751 168.422 207.955 208.842 1.00 32.42 O +HETATM18342 O HOH B 752 158.958 223.604 201.876 1.00 34.73 O +HETATM18343 O HOH B 753 127.722 216.169 212.538 1.00 46.13 O +HETATM18344 O HOH B 754 148.122 226.387 196.787 1.00 56.39 O +HETATM18345 O HOH B 755 173.733 229.563 236.619 1.00 51.64 O +HETATM18346 O HOH B 756 168.729 222.226 229.664 1.00 37.26 O +HETATM18347 O HOH B 757 135.496 224.431 204.813 1.00 44.88 O +HETATM18348 O HOH B 758 158.844 202.244 213.422 1.00 27.70 O +HETATM18349 O HOH B 759 171.682 190.665 221.146 1.00 19.98 O +HETATM18350 O HOH B 760 130.752 209.146 210.598 1.00 40.53 O +HETATM18351 O HOH B 761 172.009 225.184 219.726 1.00 39.79 O +HETATM18352 O HOH B 762 170.229 195.874 230.650 1.00 39.68 O +HETATM18353 O HOH B 763 159.567 187.651 222.694 1.00 30.47 O +HETATM18354 O HOH B 764 159.771 200.164 220.168 1.00 21.53 O +HETATM18355 O HOH B 765 171.649 231.745 223.472 1.00 49.27 O +HETATM18356 O HOH B 766 174.090 205.083 234.678 1.00 36.44 O +HETATM18357 O HOH B 767 131.573 224.020 205.963 1.00 58.69 O +HETATM18358 O HOH B 768 149.863 221.526 216.247 1.00 24.47 O +HETATM18359 O HOH B 769 172.732 216.751 218.602 1.00 39.08 O +HETATM18360 O HOH B 770 156.461 191.886 218.265 1.00 26.87 O +HETATM18361 O HOH B 771 166.790 231.036 234.932 1.00 44.95 O +HETATM18362 O HOH B 772 135.453 215.553 213.087 1.00 33.41 O +HETATM18363 O HOH B 773 150.417 218.424 240.721 1.00 46.83 O +HETATM18364 O HOH B 774 143.594 217.795 217.309 1.00 29.11 O +HETATM18365 O HOH B 775 150.463 206.894 215.921 1.00 23.32 O +HETATM18366 O HOH B 776 193.944 204.742 225.163 1.00 51.27 O +HETATM18367 O HOH B 777 168.836 204.012 229.926 1.00 27.49 O +HETATM18368 O HOH B 778 171.059 226.375 236.389 1.00 46.88 O +HETATM18369 O HOH B 779 167.745 227.516 223.587 1.00 49.79 O +HETATM18370 O HOH B 780 159.834 209.761 232.086 1.00 37.54 O +HETATM18371 O HOH B 781 154.354 206.666 219.972 1.00 20.57 O +HETATM18372 O HOH B 782 173.686 206.126 216.415 1.00 40.77 O +HETATM18373 O HOH B 783 163.865 203.842 213.326 1.00 22.38 O +HETATM18374 O HOH B 784 193.929 204.311 213.205 1.00 50.03 O +HETATM18375 O HOH B 785 145.569 211.734 195.654 1.00 28.88 O +HETATM18376 O HOH B 786 168.094 208.981 234.898 1.00 30.42 O +HETATM18377 O HOH B 787 157.494 191.800 225.340 1.00 25.76 O +HETATM18378 O HOH B 788 141.388 205.597 206.211 1.00 36.25 O +HETATM18379 O HOH B 789 173.250 203.229 222.792 1.00 44.04 O +HETATM18380 O HOH B 790 134.963 212.107 205.002 1.00 31.86 O +HETATM18381 O HOH B 791 149.710 205.894 211.497 1.00 30.70 O +HETATM18382 O HOH B 792 165.141 232.165 215.915 1.00 38.17 O +HETATM18383 O HOH B 793 164.106 225.959 197.645 1.00 43.17 O +HETATM18384 O HOH B 794 154.340 206.226 210.475 1.00 32.35 O +HETATM18385 O HOH B 795 139.908 216.212 215.374 1.00 28.05 O +HETATM18386 O HOH B 796 176.829 203.535 237.294 1.00 40.92 O +HETATM18387 O HOH B 797 155.258 191.209 229.499 1.00 45.47 O +HETATM18388 O HOH B 798 160.999 206.531 197.993 1.00 28.97 O +HETATM18389 O HOH B 799 157.313 206.192 212.126 1.00 32.19 O +HETATM18390 O HOH B 800 126.170 210.568 211.502 1.00 66.18 O +HETATM18391 O HOH B 801 154.620 212.054 247.063 1.00 61.17 O +HETATM18392 O HOH B 802 179.119 203.660 224.888 1.00 41.03 O +HETATM18393 O HOH B 803 164.539 219.676 205.534 1.00 29.91 O +HETATM18394 O HOH B 804 159.709 217.571 217.335 1.00 28.71 O +HETATM18395 O HOH B 805 169.393 225.993 220.270 1.00 46.99 O +HETATM18396 O HOH B 806 143.157 207.528 211.113 1.00 27.78 O +HETATM18397 O HOH B 807 181.361 206.174 218.373 1.00 41.38 O +HETATM18398 O HOH B 808 138.317 209.830 193.883 1.00 31.25 O +HETATM18399 O HOH B 809 150.286 219.047 215.054 1.00 28.46 O +HETATM18400 O HOH B 810 154.023 210.304 230.694 1.00 47.14 O +HETATM18401 O HOH B 811 149.277 211.868 225.586 1.00 37.15 O +HETATM18402 O HOH B 812 137.106 216.314 215.275 1.00 34.19 O +HETATM18403 O HOH B 813 159.340 231.482 214.444 1.00 41.38 O +HETATM18404 O HOH B 814 146.415 207.334 212.452 1.00 31.75 O +HETATM18405 O HOH B 815 159.715 215.176 215.721 1.00 25.22 O +HETATM18406 O HOH B 816 141.726 218.361 215.365 1.00 26.62 O +HETATM18407 O HOH B 817 161.718 202.524 212.919 1.00 22.18 O +HETATM18408 O HOH B 818 164.200 206.346 214.811 1.00 38.63 O +HETATM18409 O HOH B 819 146.715 227.211 206.368 1.00 35.67 O +HETATM18410 O HOH B 820 166.966 225.810 222.341 1.00 85.71 O +HETATM18411 O HOH B 821 174.833 211.751 235.972 1.00 31.93 O +HETATM18412 O HOH B 822 180.613 192.488 223.051 1.00 45.58 O +HETATM18413 O HOH B 823 187.420 195.389 222.304 1.00 45.19 O +HETATM18414 O HOH B 824 152.606 208.740 216.440 1.00 22.53 O +HETATM18415 O HOH B 825 176.671 223.669 228.633 1.00 44.95 O +HETATM18416 O HOH B 826 166.448 204.663 218.207 1.00 26.23 O +HETATM18417 O HOH B 827 137.468 208.894 196.354 1.00 39.22 O +HETATM18418 O HOH B 828 132.474 214.410 196.284 1.00 49.90 O +HETATM18419 O HOH B 829 129.350 207.026 214.689 1.00 44.98 O +HETATM18420 O HOH B 830 157.443 232.725 215.398 1.00 39.57 O +HETATM18421 O HOH B 831 181.201 207.249 225.815 1.00 35.70 O +HETATM18422 O HOH B 832 135.142 228.821 211.054 1.00 41.13 O +HETATM18423 O HOH B 833 170.242 203.647 220.448 1.00 39.43 O +HETATM18424 O HOH B 834 139.260 204.770 204.770 1.00 38.30 O +HETATM18425 O HOH B 835 149.012 219.045 212.760 1.00 19.37 O +HETATM18426 O HOH B 836 147.804 200.873 221.448 1.00 44.53 O +HETATM18427 O HOH B 837 174.647 216.479 204.369 1.00 41.59 O +HETATM18428 O HOH B 838 146.895 202.103 219.737 1.00 39.90 O +HETATM18429 O HOH B 839 185.688 194.964 219.154 1.00 35.93 O +HETATM18430 O HOH B 840 134.682 210.069 229.704 1.00 41.61 O +HETATM18431 O HOH B 841 168.877 205.503 219.042 1.00 24.88 O +HETATM18432 O HOH B 842 168.911 229.584 221.959 1.00 37.77 O +HETATM18433 O HOH B 843 168.364 234.913 196.782 1.00 49.09 O +HETATM18434 O HOH B 844 160.924 211.171 217.088 1.00 17.36 O +HETATM18435 O HOH B 845 162.120 209.739 219.200 1.00 27.42 O +HETATM18436 O HOH B 846 179.041 207.256 223.885 1.00 30.65 O +HETATM18437 O HOH B 847 179.726 228.166 239.375 1.00 56.14 O +HETATM18438 O HOH B 848 185.261 198.568 212.982 1.00 40.02 O +HETATM18439 O HOH B 849 153.892 195.358 217.127 1.00 22.05 O +HETATM18440 O HOH B 850 159.747 199.343 212.283 1.00 26.57 O +HETATM18441 O HOH B 851 131.274 213.694 198.402 1.00 46.72 O +HETATM18442 O HOH B 852 176.023 219.332 202.880 1.00 37.74 O +HETATM18443 O HOH B 853 167.359 209.514 200.577 1.00 40.94 O +HETATM18444 O HOH B 854 160.331 224.713 248.010 1.00 53.39 O +HETATM18445 O HOH B 855 174.989 201.924 216.644 1.00 47.70 O +HETATM18446 O HOH B 856 174.521 193.406 224.653 1.00 36.74 O +HETATM18447 O HOH B 857 180.328 237.298 223.624 1.00 66.96 O +HETATM18448 O HOH B 858 165.349 210.627 234.638 1.00 40.13 O +HETATM18449 O HOH B 859 175.548 189.760 227.786 1.00 36.08 O +HETATM18450 O HOH B 860 155.436 202.440 212.900 1.00 34.93 O +HETATM18451 O HOH B 861 185.925 201.251 214.384 1.00 40.49 O +HETATM18452 O HOH B 862 150.108 199.593 223.438 1.00 44.09 O +HETATM18453 O HOH B 863 195.935 205.839 217.533 1.00 53.56 O +HETATM18454 O HOH B 864 148.762 227.110 205.272 1.00 42.44 O +HETATM18455 O HOH B 865 146.191 241.092 215.333 1.00 46.62 O +HETATM18456 O HOH B 866 161.625 233.827 217.111 1.00 40.52 O +HETATM18457 O HOH B 867 161.344 202.758 228.059 1.00 18.28 O +HETATM18458 O HOH B 868 171.295 205.226 206.671 1.00 29.94 O +HETATM18459 O HOH B 869 163.889 209.242 217.228 1.00 32.18 O +HETATM18460 O HOH B 870 156.324 200.042 231.964 1.00 25.85 O +HETATM18461 O HOH B 871 129.043 217.989 210.355 1.00 37.55 O +HETATM18462 O HOH B 872 168.752 206.940 201.213 1.00 41.76 O +HETATM18463 O HOH B 873 161.018 221.072 197.402 1.00 45.16 O +HETATM18464 O HOH B 874 167.550 193.028 229.566 1.00 33.29 O +HETATM18465 O HOH B 875 151.766 201.004 212.396 1.00 44.46 O +HETATM18466 O HOH B 876 174.970 201.330 227.807 1.00 29.78 O +HETATM18467 O HOH B 877 158.415 204.181 210.443 1.00 24.89 O +HETATM18468 O HOH B 878 149.467 227.419 203.152 1.00 37.44 O +HETATM18469 O HOH B 879 156.860 217.057 251.948 1.00 51.21 O +HETATM18470 O HOH B 880 178.066 221.135 245.175 1.00 68.00 O +HETATM18471 O HOH B 881 173.289 192.971 221.770 1.00 28.51 O +HETATM18472 O HOH B 882 192.330 214.158 219.343 1.00 48.28 O +HETATM18473 O HOH B 883 177.130 239.457 217.013 1.00 48.85 O +HETATM18474 O HOH B 884 144.015 204.913 210.901 1.00 34.81 O +HETATM18475 O HOH B 885 133.758 239.760 231.516 1.00 60.83 O +HETATM18476 O HOH B 886 144.984 226.669 240.480 1.00 49.60 O +HETATM18477 O HOH B 887 182.135 224.602 226.537 1.00 40.11 O +HETATM18478 O HOH B 888 157.581 189.008 216.676 1.00 41.06 O +HETATM18479 O HOH B 889 166.590 226.011 196.660 1.00 42.26 O +HETATM18480 O HOH B 890 175.784 203.580 223.743 1.00 35.83 O +HETATM18481 O HOH B 891 128.413 217.407 216.160 1.00 43.38 O +HETATM18482 O HOH B 892 156.474 207.371 208.484 1.00 32.95 O +HETATM18483 O HOH B 893 154.522 192.908 216.465 1.00 33.30 O +HETATM18484 O HOH B 894 131.200 210.612 232.385 1.00 49.12 O +HETATM18485 O HOH B 895 139.298 233.255 207.202 1.00 55.81 O +HETATM18486 O HOH B 896 138.621 202.158 204.187 1.00 48.94 O +HETATM18487 O HOH B 897 128.553 211.198 231.918 1.00 46.02 O +HETATM18488 O HOH B 898 174.739 219.053 200.393 1.00 47.05 O +HETATM18489 O HOH B 899 126.755 208.139 214.560 1.00 46.85 O +HETATM18490 O HOH B 900 196.567 207.448 216.079 1.00 47.58 O +HETATM18491 O HOH B 901 178.449 238.458 223.105 1.00 44.14 O +HETATM18492 O HOH B 902 179.698 206.012 227.344 1.00 31.06 O +HETATM18493 O HOH B 903 155.655 203.779 210.564 1.00 37.19 O +HETATM18494 O HOH B 904 157.472 208.351 210.979 1.00 34.70 O +HETATM18495 O HOH B 905 148.873 227.659 198.644 1.00 48.65 O +HETATM18496 O HOH B 906 189.117 196.199 219.435 1.00 43.11 O +HETATM18497 O HOH B 907 140.381 225.223 188.537 1.00 46.38 O +HETATM18498 O HOH B 908 125.623 236.816 233.875 1.00 48.69 O +HETATM18499 O HOH B 909 140.921 223.061 187.824 1.00 46.58 O +HETATM18500 O HOH B 910 177.032 205.956 224.755 1.00 31.65 O +HETATM18501 O HOH B 911 150.180 227.297 239.912 1.00 56.51 O +HETATM18502 O HOH B 912 172.171 203.471 207.940 1.00 37.70 O +HETATM18503 O HOH B 913 127.166 219.108 209.810 1.00 42.41 O +HETATM18504 O HOH B 914 149.178 203.222 212.625 1.00 45.12 O +HETATM18505 O HOH B 915 138.037 232.041 208.690 1.00 46.20 O +HETATM18506 O HOH B 916 158.559 192.813 212.648 1.00 28.16 O +HETATM18507 O HOH B 917 158.331 197.071 212.330 1.00 29.55 O +HETATM18508 O HOH B 918 158.770 212.724 216.415 1.00 26.93 O +HETATM18509 O HOH B 919 152.096 204.421 210.528 1.00 39.32 O +HETATM18510 O HOH B 920 139.266 221.551 186.596 1.00 42.37 O +HETATM18511 O HOH B 921 169.384 232.165 221.905 1.00 39.93 O +HETATM18512 O HOH B 922 155.774 200.132 211.438 1.00 38.50 O +HETATM18513 O HOH B 923 175.924 223.309 211.960 1.00 44.65 O +HETATM18514 O HOH B 924 176.959 224.832 210.663 1.00 49.07 O +CONECT 33 183 +CONECT 43 1982 +CONECT 95 336 +CONECT 183 33 +CONECT 336 95 +CONECT 358 504 +CONECT 504 358 +CONECT 175017582 +CONECT 1982 43 +CONECT 573517862 +CONECT 611617655 +CONECT 8576 8659 +CONECT 8659 8576 +CONECT 8817 8967 +CONECT 882710765 +CONECT 8879 9120 +CONECT 8967 8817 +CONECT 9120 8879 +CONECT 9142 9287 +CONECT 927618052 +CONECT 9287 9142 +CONECT1053317708 +CONECT10765 8827 +CONECT1452117979 +CONECT1490217781 +CONECT1737317456 +CONECT1745617373 +CONECT17582 17501758317593 +CONECT1758317582175841759017596 +CONECT1758417583175851759117597 +CONECT1758517584175861759217598 +CONECT1758617585175871759317599 +CONECT1758717586175941760017601 +CONECT17588175891759017595 +CONECT1758917588176021760317604 +CONECT17590175831758817605 +CONECT175911758417606 +CONECT175921758517608 +CONECT175931758217586 +CONECT175941758717607 +CONECT1759517588 +CONECT1759617583 +CONECT1759717584 +CONECT1759817585 +CONECT1759917586 +CONECT1760017587 +CONECT1760117587 +CONECT1760217589 +CONECT1760317589 +CONECT1760417589 +CONECT1760517590 +CONECT1760617591 +CONECT1760717594 +CONECT17608175921760917619 +CONECT1760917608176101761617622 +CONECT1761017609176111761717623 +CONECT1761117610176121761817624 +CONECT1761217611176131761917625 +CONECT1761317612176201762617627 +CONECT17614176151761617621 +CONECT1761517614176281762917630 +CONECT17616176091761417631 +CONECT176171761017632 +CONECT176181761117634 +CONECT176191760817612 +CONECT176201761317633 +CONECT1762117614 +CONECT1762217609 +CONECT1762317610 +CONECT1762417611 +CONECT1762517612 +CONECT1762617613 +CONECT1762717613 +CONECT1762817615 +CONECT1762917615 +CONECT1763017615 +CONECT1763117616 +CONECT1763217617 +CONECT1763317620 +CONECT17634176181763517643 +CONECT1763517634176361764017645 +CONECT1763617635176371764117646 +CONECT1763717636176381764217647 +CONECT1763817637176391764317648 +CONECT1763917638176441764917650 +CONECT176401763517651 +CONECT176411763617652 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+CONECT180611805418076 +CONECT180621805518077 +CONECT180631805218056 +CONECT180641805718078 +CONECT1806518058 +CONECT1806618053 +CONECT1806718054 +CONECT1806818055 +CONECT1806918056 +CONECT1807018057 +CONECT1807118057 +CONECT1807218059 +CONECT1807318059 +CONECT1807418059 +CONECT1807518060 +CONECT1807618061 +CONECT1807718062 +CONECT1807818064 +CONECT1807918080180811808218083 +CONECT1808018079 +CONECT1808118079 +CONECT1808218079 +CONECT1808318079 +CONECT1808418085180861808718088 +CONECT1808518084 +CONECT1808618084 +CONECT1808718084 +CONECT1808818084 +CONECT1808918090180911809218093 +CONECT1809018089 +CONECT1809118089 +CONECT1809218089 +CONECT1809318089 +MASTER 328 0 21 64 20 0 0 6 9646 2 541 86 +END diff --git a/data/examples/ibuprofen_complete/pocket_config.json b/data/examples/ibuprofen_complete/pocket_config.json new file mode 100644 index 0000000000000000000000000000000000000000..2ddd8e91765902238062b8476a8ad58b5fa9c72e --- /dev/null +++ b/data/examples/ibuprofen_complete/pocket_config.json @@ -0,0 +1,21 @@ +{ + "schema_version": "0.2", + "target": "COX2", + "het_id": "TLF", + "chain": "A", + "resseq": 601, + "center_x": 165.423, + "center_y": 185.645, + "center_z": 192.592, + "box_size_x": 28.5, + "box_size_y": 23.8, + "box_size_z": 25.8, + "padding": 10.0, + "atom_count": 18, + "pocket_rule": "cocrystal_ligand:TLF", + "ready_for_docking": true, + "_timestamp": "2026-04-06T19:03:53.994578", + "pdb_id": "5IKT", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/prep_decisions.json b/data/examples/ibuprofen_complete/prep_decisions.json new file mode 100644 index 0000000000000000000000000000000000000000..a03358fd1ac6b24d5edc5bab8b784852935f2aa4 --- /dev/null +++ b/data/examples/ibuprofen_complete/prep_decisions.json @@ -0,0 +1,143 @@ +{ + "schema_version": "0.3", + "decisions": { + "stage15_cofactor": { + "action": "remove_all", + "kept": [], + "removed": [ + "COH", + "COH", + "NAG", + "NAG", + "NAG", + "MAN", + "NAG", + "NAG", + "NAG", + "NAG", + "MAN", + "NAG", + "NAG" + ], + "detected": [ + { + "resname": "COH", + "chain": "A", + "resseq": 602, + "kind": "het" + }, + { + "resname": "COH", + "chain": "B", + "resseq": 602, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "B", + "resseq": 603, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "C", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "C", + "resseq": 2, + "kind": "het" + }, + { + "resname": "MAN", + "chain": "C", + "resseq": 3, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "D", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "D", + "resseq": 2, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "E", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "E", + "resseq": 2, + "kind": "het" + }, + { + "resname": "MAN", + "chain": "E", + "resseq": 3, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "F", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "F", + "resseq": 2, + "kind": "het" + } + ], + "index_flagged": [], + "status": "MANUAL" + }, + "stage16_propka": { + "status": "SKIPPED", + "flag": "PROPKA_SKIPPED", + "note": "快速版占位。正式版需 PROPKA/PDB2PQR 並重跑。" + }, + "stage17_override": { + "rules": {}, + "family": "cyclooxygenase", + "status": "AUTO" + }, + "stage18_saltbridge": { + "status": "SKIPPED", + "flag": "SALT_BRIDGE_SKIPPED", + "note": "快速版占位。正式版需 PROPKA 完成後再分析。" + } + }, + "flags": [ + "PROPKA_SKIPPED", + "SALT_BRIDGE_SKIPPED", + "STAGE15_MANUAL_COFACTOR" + ], + "target": "COX2", + "pdb_id": "5IKT", + "cocrystal_het": "TLF", + "engines": { + "engine_b": { + "status": "complete", + "completed_at": "2026-04-06T19:00:36.943598", + "stages": [ + "15", + "16", + "17", + "18" + ] + } + }, + "ready_for_engine_e": true, + "_timestamp": "2026-04-06T19:00:36.943598" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/protein/apo_for_docking.pdb b/data/examples/ibuprofen_complete/protein/apo_for_docking.pdb new file mode 100644 index 0000000000000000000000000000000000000000..5268162abab45a4c03ce0005a8b26f0b0c2a04eb --- /dev/null +++ b/data/examples/ibuprofen_complete/protein/apo_for_docking.pdb @@ -0,0 +1,17582 @@ +ATOM 1 N ASN A 34 137.227 207.570 183.594 1.00 58.09 N +ATOM 2 CA ASN A 34 138.533 207.856 184.179 1.00 72.91 C +ATOM 3 C ASN A 34 139.630 207.732 183.119 1.00 69.61 C +ATOM 4 O ASN A 34 139.895 206.636 182.629 1.00 66.66 O +ATOM 5 CB ASN A 34 138.811 206.908 185.347 1.00103.15 C +ATOM 6 CG ASN A 34 140.040 207.308 186.155 1.00 86.51 C +ATOM 7 OD1 ASN A 34 140.862 208.111 185.714 1.00 75.02 O +ATOM 8 ND2 ASN A 34 140.169 206.738 187.345 1.00 78.87 N +ATOM 9 HA ASN A 34 138.539 208.765 184.517 1.00 87.49 H +ATOM 10 HB2 ASN A 34 138.046 206.911 185.944 1.00123.78 H +ATOM 11 HB3 ASN A 34 138.958 206.014 185.001 1.00123.78 H +ATOM 12 HD21 ASN A 34 140.845 206.928 187.842 1.00 94.64 H +ATOM 13 HD22 ASN A 34 139.577 206.178 187.620 1.00 94.64 H +ATOM 14 N PRO A 35 140.282 208.853 182.762 1.00 63.75 N +ATOM 15 CA PRO A 35 141.245 208.816 181.653 1.00 66.34 C +ATOM 16 C PRO A 35 142.507 208.008 181.959 1.00 65.54 C +ATOM 17 O PRO A 35 143.212 207.612 181.031 1.00 69.99 O +ATOM 18 CB PRO A 35 141.586 210.294 181.446 1.00 62.88 C +ATOM 19 CG PRO A 35 141.355 210.918 182.770 1.00 65.15 C +ATOM 20 CD PRO A 35 140.194 210.192 183.368 1.00 62.11 C +ATOM 21 HA PRO A 35 140.824 208.468 180.851 1.00 79.61 H +ATOM 22 HB2 PRO A 35 142.515 210.382 181.180 1.00 75.46 H +ATOM 23 HB3 PRO A 35 140.997 210.676 180.777 1.00 75.46 H +ATOM 24 HG2 PRO A 35 142.146 210.810 183.322 1.00 78.18 H +ATOM 25 HG3 PRO A 35 141.146 211.858 182.654 1.00 78.18 H +ATOM 26 HD2 PRO A 35 140.291 210.135 184.332 1.00 74.53 H +ATOM 27 HD3 PRO A 35 139.362 210.623 183.119 1.00 74.53 H +ATOM 28 N CYS A 36 142.781 207.766 183.235 1.00 71.58 N +ATOM 29 CA CYS A 36 143.973 207.022 183.629 1.00 57.43 C +ATOM 30 C CYS A 36 143.807 205.516 183.426 1.00 54.36 C +ATOM 31 O CYS A 36 144.756 204.754 183.608 1.00 54.61 O +ATOM 32 CB CYS A 36 144.318 207.316 185.089 1.00 46.02 C +ATOM 33 SG CYS A 36 144.905 208.999 185.381 1.00 43.61 S +ATOM 34 H CYS A 36 142.293 208.023 183.895 1.00 85.90 H +ATOM 35 HA CYS A 36 144.719 207.315 183.083 1.00 68.91 H +ATOM 36 HB2 CYS A 36 143.525 207.181 185.631 1.00 55.22 H +ATOM 37 HB3 CYS A 36 145.017 206.706 185.373 1.00 55.22 H +ATOM 38 N CYS A 37 142.604 205.092 183.051 1.00 58.33 N +ATOM 39 CA CYS A 37 142.333 203.681 182.788 1.00 57.70 C +ATOM 40 C CYS A 37 143.266 203.108 181.725 1.00 60.10 C +ATOM 41 O CYS A 37 143.586 201.921 181.747 1.00 55.74 O +ATOM 42 CB CYS A 37 140.881 203.488 182.346 1.00 55.56 C +ATOM 43 SG CYS A 37 139.665 203.670 183.660 1.00 54.15 S +ATOM 44 H CYS A 37 141.922 205.605 182.940 1.00 69.99 H +ATOM 45 HA CYS A 37 142.466 203.177 183.606 1.00 69.24 H +ATOM 46 HB2 CYS A 37 140.676 204.146 181.662 1.00 66.68 H +ATOM 47 HB3 CYS A 37 140.786 202.596 181.978 1.00 66.68 H +ATOM 48 N SER A 38 143.697 203.954 180.794 1.00 55.64 N +ATOM 49 CA SER A 38 144.555 203.516 179.700 1.00 54.14 C +ATOM 50 C SER A 38 146.020 203.426 180.124 1.00 51.11 C +ATOM 51 O SER A 38 146.876 203.035 179.329 1.00 47.38 O +ATOM 52 CB SER A 38 144.416 204.462 178.504 1.00 52.90 C +ATOM 53 OG SER A 38 144.772 205.788 178.852 1.00 55.46 O +ATOM 54 H SER A 38 143.504 204.792 180.774 1.00 66.77 H +ATOM 55 HA SER A 38 144.273 202.633 179.415 1.00 64.97 H +ATOM 56 HB2 SER A 38 144.999 204.156 177.792 1.00 63.48 H +ATOM 57 HB3 SER A 38 143.494 204.453 178.203 1.00 63.48 H +ATOM 58 HG SER A 38 144.690 206.292 178.185 1.00 66.55 H +ATOM 59 N HIS A 39 146.296 203.780 181.376 1.00 63.44 N +ATOM 60 CA HIS A 39 147.660 203.800 181.904 1.00 53.75 C +ATOM 61 C HIS A 39 148.596 204.581 180.979 1.00 56.48 C +ATOM 62 O HIS A 39 149.604 204.049 180.513 1.00 47.22 O +ATOM 63 CB HIS A 39 148.176 202.373 182.102 1.00 46.41 C +ATOM 64 CG HIS A 39 147.180 201.454 182.741 1.00 53.76 C +ATOM 65 ND1 HIS A 39 146.724 201.628 184.029 1.00 59.36 N +ATOM 66 CD2 HIS A 39 146.551 200.354 182.265 1.00 47.58 C +ATOM 67 CE1 HIS A 39 145.856 200.675 184.319 1.00 52.93 C +ATOM 68 NE2 HIS A 39 145.734 199.888 183.266 1.00 51.87 N +ATOM 69 H HIS A 39 145.701 204.017 181.950 1.00 76.13 H +ATOM 70 HA HIS A 39 147.658 204.240 182.769 1.00 64.50 H +ATOM 71 HB2 HIS A 39 148.409 202.002 181.237 1.00 55.69 H +ATOM 72 HB3 HIS A 39 148.961 202.401 182.671 1.00 55.69 H +ATOM 73 HD2 HIS A 39 146.653 199.983 181.418 1.00 57.09 H +ATOM 74 HE1 HIS A 39 145.409 200.574 185.128 1.00 63.51 H +ATOM 75 HE2 HIS A 39 145.226 199.196 183.215 1.00 62.24 H +ATOM 76 N PRO A 40 148.262 205.852 180.715 1.00 47.36 N +ATOM 77 CA PRO A 40 148.984 206.672 179.735 1.00 51.68 C +ATOM 78 C PRO A 40 150.408 207.042 180.150 1.00 53.98 C +ATOM 79 O PRO A 40 151.262 207.225 179.285 1.00 54.90 O +ATOM 80 CB PRO A 40 148.113 207.928 179.631 1.00 54.99 C +ATOM 81 CG PRO A 40 147.426 208.018 180.943 1.00 54.53 C +ATOM 82 CD PRO A 40 147.169 206.602 181.359 1.00 52.86 C +ATOM 83 HA PRO A 40 149.006 206.225 178.874 1.00 62.01 H +ATOM 84 HB2 PRO A 40 148.674 208.705 179.481 1.00 65.98 H +ATOM 85 HB3 PRO A 40 147.470 207.823 178.912 1.00 65.98 H +ATOM 86 HG2 PRO A 40 148.004 208.463 181.583 1.00 65.44 H +ATOM 87 HG3 PRO A 40 146.592 208.502 180.841 1.00 65.44 H +ATOM 88 HD2 PRO A 40 147.223 206.518 182.324 1.00 63.43 H +ATOM 89 HD3 PRO A 40 146.309 206.302 181.023 1.00 63.43 H +ATOM 90 N CYS A 41 150.660 207.145 181.450 1.00 52.89 N +ATOM 91 CA CYS A 41 151.951 207.624 181.940 1.00 51.27 C +ATOM 92 C CYS A 41 153.016 206.531 181.930 1.00 44.64 C +ATOM 93 O CYS A 41 152.841 205.474 182.532 1.00 50.59 O +ATOM 94 CB CYS A 41 151.794 208.190 183.350 1.00 44.43 C +ATOM 95 SG CYS A 41 150.551 209.496 183.450 1.00 50.24 S +ATOM 96 H CYS A 41 150.101 206.945 182.071 1.00 63.47 H +ATOM 97 HA CYS A 41 152.257 208.342 181.364 1.00 61.53 H +ATOM 98 HB2 CYS A 41 151.526 207.475 183.948 1.00 53.31 H +ATOM 99 HB3 CYS A 41 152.643 208.562 183.636 1.00 53.31 H +ATOM 100 N GLN A 42 154.123 206.809 181.244 1.00 47.49 N +ATOM 101 CA GLN A 42 155.211 205.848 181.081 1.00 45.79 C +ATOM 102 C GLN A 42 156.344 206.093 182.070 1.00 40.65 C +ATOM 103 O GLN A 42 156.445 207.166 182.662 1.00 40.25 O +ATOM 104 CB GLN A 42 155.770 205.913 179.655 1.00 56.32 C +ATOM 105 CG GLN A 42 154.724 205.801 178.560 1.00 53.80 C +ATOM 106 CD GLN A 42 153.883 204.548 178.682 1.00 62.79 C +ATOM 107 OE1 GLN A 42 154.346 203.443 178.401 1.00 58.94 O +ATOM 108 NE2 GLN A 42 152.637 204.715 179.106 1.00 68.01 N +ATOM 109 H GLN A 42 154.269 207.562 180.856 1.00 56.99 H +ATOM 110 HA GLN A 42 154.869 204.953 181.230 1.00 54.95 H +ATOM 111 HB2 GLN A 42 156.227 206.761 179.540 1.00 67.59 H +ATOM 112 HB3 GLN A 42 156.400 205.185 179.536 1.00 67.59 H +ATOM 113 HG2 GLN A 42 154.131 206.567 178.610 1.00 64.56 H +ATOM 114 HG3 GLN A 42 155.169 205.781 177.698 1.00 64.56 H +ATOM 115 HE21 GLN A 42 152.349 205.503 179.295 1.00 81.62 H +ATOM 116 HE22 GLN A 42 152.118 204.035 179.193 1.00 81.62 H +ATOM 117 N ASN A 43 157.190 205.081 182.242 1.00 43.96 N +ATOM 118 CA ASN A 43 158.433 205.211 182.996 1.00 37.90 C +ATOM 119 C ASN A 43 158.239 205.680 184.436 1.00 44.16 C +ATOM 120 O ASN A 43 158.953 206.566 184.905 1.00 36.11 O +ATOM 121 CB ASN A 43 159.378 206.171 182.270 1.00 40.73 C +ATOM 122 CG ASN A 43 159.671 205.734 180.850 1.00 42.35 C +ATOM 123 OD1 ASN A 43 160.370 204.748 180.624 1.00 39.79 O +ATOM 124 ND2 ASN A 43 159.141 206.470 179.881 1.00 46.12 N +ATOM 125 H ASN A 43 157.063 204.292 181.923 1.00 52.75 H +ATOM 126 HA ASN A 43 158.866 204.343 183.028 1.00 45.48 H +ATOM 127 HB2 ASN A 43 158.970 207.051 182.236 1.00 48.88 H +ATOM 128 HB3 ASN A 43 160.218 206.214 182.752 1.00 48.88 H +ATOM 129 HD21 ASN A 43 159.279 206.262 179.058 1.00 55.35 H +ATOM 130 HD22 ASN A 43 158.659 207.155 180.077 1.00 55.35 H +ATOM 131 N ARG A 44 157.269 205.079 185.122 1.00 46.50 N +ATOM 132 CA ARG A 44 157.003 205.332 186.542 1.00 49.60 C +ATOM 133 C ARG A 44 156.385 206.705 186.805 1.00 55.75 C +ATOM 134 O ARG A 44 156.342 207.155 187.949 1.00 59.39 O +ATOM 135 CB ARG A 44 158.284 205.188 187.376 1.00 48.00 C +ATOM 136 CG ARG A 44 159.000 203.855 187.221 1.00 46.02 C +ATOM 137 CD ARG A 44 158.152 202.684 187.693 1.00 58.59 C +ATOM 138 NE ARG A 44 157.479 202.950 188.962 1.00 74.30 N +ATOM 139 CZ ARG A 44 158.074 202.943 190.150 1.00 67.48 C +ATOM 140 NH1 ARG A 44 159.373 202.692 190.251 1.00 52.23 N +ATOM 141 NH2 ARG A 44 157.368 203.196 191.242 1.00 74.14 N +ATOM 142 H ARG A 44 156.734 204.502 184.776 1.00 55.80 H +ATOM 143 HA ARG A 44 156.374 204.665 186.858 1.00 59.52 H +ATOM 144 HB2 ARG A 44 158.904 205.886 187.114 1.00 57.60 H +ATOM 145 HB3 ARG A 44 158.055 205.291 188.313 1.00 57.60 H +ATOM 146 HG2 ARG A 44 159.212 203.716 186.285 1.00 55.22 H +ATOM 147 HG3 ARG A 44 159.814 203.869 187.748 1.00 55.22 H +ATOM 148 HD2 ARG A 44 157.472 202.497 187.026 1.00 70.30 H +ATOM 149 HD3 ARG A 44 158.722 201.908 187.812 1.00 70.30 H +ATOM 150 HE ARG A 44 156.637 203.124 188.938 1.00 89.16 H +ATOM 151 HH11 ARG A 44 159.836 202.527 189.545 1.00 62.67 H +ATOM 152 HH12 ARG A 44 159.752 202.690 191.024 1.00 62.67 H +ATOM 153 HH21 ARG A 44 156.526 203.361 191.181 1.00 88.97 H +ATOM 154 HH22 ARG A 44 157.751 203.195 192.012 1.00 88.97 H +ATOM 155 N GLY A 45 155.901 207.366 185.759 1.00 50.39 N +ATOM 156 CA GLY A 45 155.173 208.611 185.935 1.00 48.49 C +ATOM 157 C GLY A 45 153.831 208.344 186.592 1.00 44.37 C +ATOM 158 O GLY A 45 153.230 207.291 186.379 1.00 45.68 O +ATOM 159 H GLY A 45 155.981 207.114 184.940 1.00 60.47 H +ATOM 160 HA2 GLY A 45 155.683 209.216 186.496 1.00 58.19 H +ATOM 161 HA3 GLY A 45 155.023 209.031 185.073 1.00 58.19 H +ATOM 162 N VAL A 46 153.356 209.293 187.392 1.00 42.85 N +ATOM 163 CA VAL A 46 152.122 209.108 188.150 1.00 56.34 C +ATOM 164 C VAL A 46 150.941 209.764 187.442 1.00 53.61 C +ATOM 165 O VAL A 46 150.914 210.980 187.257 1.00 45.73 O +ATOM 166 CB VAL A 46 152.242 209.683 189.577 1.00 45.66 C +ATOM 167 CG1 VAL A 46 150.994 209.363 190.390 1.00 39.99 C +ATOM 168 CG2 VAL A 46 153.476 209.128 190.267 1.00 45.23 C +ATOM 169 H VAL A 46 153.731 210.057 187.514 1.00 51.42 H +ATOM 170 HA VAL A 46 151.937 208.159 188.224 1.00 67.61 H +ATOM 171 HB VAL A 46 152.332 210.647 189.525 1.00 54.79 H +ATOM 172 HG11 VAL A 46 151.095 209.734 191.281 1.00 47.99 H +ATOM 173 HG12 VAL A 46 150.223 209.756 189.953 1.00 47.99 H +ATOM 174 HG13 VAL A 46 150.890 208.400 190.443 1.00 47.99 H +ATOM 175 HG21 VAL A 46 153.532 209.501 191.160 1.00 54.27 H +ATOM 176 HG22 VAL A 46 153.402 208.162 190.316 1.00 54.27 H +ATOM 177 HG23 VAL A 46 154.262 209.375 189.755 1.00 54.27 H +ATOM 178 N CYS A 47 149.966 208.948 187.049 1.00 48.16 N +ATOM 179 CA CYS A 47 148.768 209.450 186.386 1.00 41.49 C +ATOM 180 C CYS A 47 147.781 209.993 187.410 1.00 42.51 C +ATOM 181 O CYS A 47 147.547 209.379 188.448 1.00 52.14 O +ATOM 182 CB CYS A 47 148.101 208.356 185.552 1.00 47.27 C +ATOM 183 SG CYS A 47 146.743 208.958 184.514 1.00 54.45 S +ATOM 184 H CYS A 47 149.975 208.094 187.156 1.00 57.79 H +ATOM 185 HA CYS A 47 149.015 210.176 185.791 1.00 49.79 H +ATOM 186 HB2 CYS A 47 148.767 207.958 184.969 1.00 56.72 H +ATOM 187 HB3 CYS A 47 147.742 207.682 186.150 1.00 56.72 H +ATOM 188 N MET A 48 147.206 211.148 187.100 1.00 49.66 N +ATOM 189 CA MET A 48 146.273 211.820 187.988 1.00 52.32 C +ATOM 190 C MET A 48 145.186 212.488 187.161 1.00 49.23 C +ATOM 191 O MET A 48 145.477 213.175 186.184 1.00 57.99 O +ATOM 192 CB MET A 48 147.015 212.847 188.847 1.00 45.94 C +ATOM 193 CG MET A 48 146.134 213.896 189.520 1.00 51.51 C +ATOM 194 SD MET A 48 147.058 215.058 190.552 1.00 56.57 S +ATOM 195 CE MET A 48 148.603 215.228 189.658 1.00 52.17 C +ATOM 196 H MET A 48 147.346 211.571 186.364 1.00 59.59 H +ATOM 197 HA MET A 48 145.867 211.167 188.579 1.00 62.79 H +ATOM 198 HB2 MET A 48 147.491 212.374 189.547 1.00 55.13 H +ATOM 199 HB3 MET A 48 147.649 213.317 188.284 1.00 55.13 H +ATOM 200 HG2 MET A 48 145.676 214.407 188.834 1.00 61.81 H +ATOM 201 HG3 MET A 48 145.487 213.447 190.085 1.00 61.81 H +ATOM 202 HE1 MET A 48 149.180 215.842 190.138 1.00 62.60 H +ATOM 203 HE2 MET A 48 149.027 214.358 189.593 1.00 62.60 H +ATOM 204 HE3 MET A 48 148.418 215.573 188.770 1.00 62.60 H +ATOM 205 N SER A 49 143.933 212.283 187.550 1.00 51.16 N +ATOM 206 CA SER A 49 142.817 212.868 186.826 1.00 51.07 C +ATOM 207 C SER A 49 142.697 214.354 187.141 1.00 53.03 C +ATOM 208 O SER A 49 142.834 214.765 188.292 1.00 50.27 O +ATOM 209 CB SER A 49 141.511 212.148 187.169 1.00 50.80 C +ATOM 210 OG SER A 49 141.102 212.428 188.497 1.00 49.67 O +ATOM 211 H SER A 49 143.705 211.809 188.230 1.00 61.39 H +ATOM 212 HA SER A 49 142.973 212.774 185.873 1.00 61.29 H +ATOM 213 HB2 SER A 49 140.819 212.445 186.558 1.00 60.96 H +ATOM 214 HB3 SER A 49 141.646 211.192 187.076 1.00 60.96 H +ATOM 215 HG SER A 49 140.980 213.253 188.592 1.00 59.60 H +ATOM 216 N VAL A 50 142.462 215.151 186.103 1.00 54.86 N +ATOM 217 CA VAL A 50 142.183 216.574 186.254 1.00 52.68 C +ATOM 218 C VAL A 50 140.858 216.872 185.570 1.00 52.64 C +ATOM 219 O VAL A 50 140.778 216.902 184.344 1.00 57.98 O +ATOM 220 CB VAL A 50 143.290 217.451 185.646 1.00 50.67 C +ATOM 221 CG1 VAL A 50 143.024 218.921 185.943 1.00 52.71 C +ATOM 222 CG2 VAL A 50 144.652 217.036 186.182 1.00 50.47 C +ATOM 223 H VAL A 50 142.458 214.885 185.285 1.00 65.83 H +ATOM 224 HA VAL A 50 142.100 216.791 187.196 1.00 63.22 H +ATOM 225 HB VAL A 50 143.297 217.334 184.683 1.00 60.80 H +ATOM 226 HG11 VAL A 50 143.733 219.455 185.552 1.00 63.25 H +ATOM 227 HG12 VAL A 50 142.170 219.171 185.558 1.00 63.25 H +ATOM 228 HG13 VAL A 50 143.004 219.050 186.905 1.00 63.25 H +ATOM 229 HG21 VAL A 50 145.333 217.602 185.786 1.00 60.56 H +ATOM 230 HG22 VAL A 50 144.656 217.139 187.147 1.00 60.56 H +ATOM 231 HG23 VAL A 50 144.814 216.109 185.948 1.00 60.56 H +ATOM 232 N GLY A 51 139.818 217.085 186.364 1.00 52.92 N +ATOM 233 CA GLY A 51 138.479 217.195 185.823 1.00 54.89 C +ATOM 234 C GLY A 51 138.001 215.827 185.379 1.00 59.87 C +ATOM 235 O GLY A 51 138.595 214.810 185.736 1.00 60.90 O +ATOM 236 H GLY A 51 139.863 217.170 187.218 1.00 63.50 H +ATOM 237 HA2 GLY A 51 137.874 217.538 186.499 1.00 65.87 H +ATOM 238 HA3 GLY A 51 138.476 217.795 185.061 1.00 65.87 H +ATOM 239 N PHE A 52 136.939 215.796 184.583 1.00 62.20 N +ATOM 240 CA PHE A 52 136.309 214.535 184.206 1.00 60.35 C +ATOM 241 C PHE A 52 136.879 213.925 182.926 1.00 62.54 C +ATOM 242 O PHE A 52 136.674 212.741 182.662 1.00 71.24 O +ATOM 243 CB PHE A 52 134.804 214.739 184.037 1.00 61.48 C +ATOM 244 CG PHE A 52 134.102 215.142 185.300 1.00 59.27 C +ATOM 245 CD1 PHE A 52 133.665 214.185 186.200 1.00 60.33 C +ATOM 246 CD2 PHE A 52 133.874 216.476 185.586 1.00 61.09 C +ATOM 247 CE1 PHE A 52 133.017 214.553 187.361 1.00 60.07 C +ATOM 248 CE2 PHE A 52 133.226 216.848 186.746 1.00 59.29 C +ATOM 249 CZ PHE A 52 132.798 215.886 187.634 1.00 58.51 C +ATOM 250 H PHE A 52 136.562 216.492 184.248 1.00 74.64 H +ATOM 251 HA PHE A 52 136.442 213.895 184.922 1.00 72.42 H +ATOM 252 HB2 PHE A 52 134.655 215.436 183.379 1.00 73.78 H +ATOM 253 HB3 PHE A 52 134.409 213.908 183.730 1.00 73.78 H +ATOM 254 HD1 PHE A 52 133.811 213.285 186.020 1.00 72.40 H +ATOM 255 HD2 PHE A 52 134.161 217.130 184.990 1.00 73.30 H +ATOM 256 HE1 PHE A 52 132.729 213.902 187.959 1.00 72.08 H +ATOM 257 HE2 PHE A 52 133.079 217.748 186.929 1.00 71.15 H +ATOM 258 HZ PHE A 52 132.361 216.136 188.416 1.00 70.21 H +ATOM 259 N ASP A 53 137.599 214.722 182.142 1.00 75.47 N +ATOM 260 CA ASP A 53 138.007 214.305 180.799 1.00 84.57 C +ATOM 261 C ASP A 53 139.492 214.506 180.497 1.00 84.74 C +ATOM 262 O ASP A 53 139.914 214.352 179.351 1.00 79.98 O +ATOM 263 CB ASP A 53 137.178 215.063 179.759 1.00 72.35 C +ATOM 264 CG ASP A 53 137.348 216.566 179.865 1.00 85.98 C +ATOM 265 OD1 ASP A 53 137.844 217.037 180.911 1.00 95.80 O +ATOM 266 OD2 ASP A 53 136.983 217.278 178.906 1.00101.40 O +ATOM 267 H ASP A 53 137.866 215.509 182.362 1.00 90.57 H +ATOM 268 HA ASP A 53 137.813 213.360 180.697 1.00101.48 H +ATOM 269 HB2 ASP A 53 137.458 214.791 178.871 1.00 86.82 H +ATOM 270 HB3 ASP A 53 136.240 214.857 179.891 1.00 86.82 H +ATOM 271 N GLN A 54 140.282 214.845 181.510 1.00 72.72 N +ATOM 272 CA GLN A 54 141.711 215.066 181.309 1.00 77.10 C +ATOM 273 C GLN A 54 142.559 214.400 182.385 1.00 68.64 C +ATOM 274 O GLN A 54 142.101 214.171 183.506 1.00 56.75 O +ATOM 275 CB GLN A 54 142.020 216.563 181.264 1.00 65.03 C +ATOM 276 CG GLN A 54 141.444 217.273 180.051 1.00 71.97 C +ATOM 277 CD GLN A 54 142.227 218.517 179.680 1.00 77.10 C +ATOM 278 OE1 GLN A 54 141.674 219.613 179.605 1.00 82.31 O +ATOM 279 NE2 GLN A 54 143.522 218.348 179.436 1.00 91.65 N +ATOM 280 H GLN A 54 140.018 214.953 182.322 1.00 87.27 H +ATOM 281 HA GLN A 54 141.967 214.685 180.454 1.00 92.51 H +ATOM 282 HB2 GLN A 54 141.651 216.982 182.056 1.00 78.03 H +ATOM 283 HB3 GLN A 54 142.983 216.683 181.247 1.00 78.03 H +ATOM 284 HG2 GLN A 54 141.462 216.669 179.292 1.00 86.37 H +ATOM 285 HG3 GLN A 54 140.531 217.539 180.243 1.00 86.37 H +ATOM 286 HE21 GLN A 54 143.872 217.565 179.493 1.00109.98 H +ATOM 287 HE22 GLN A 54 144.010 219.023 179.222 1.00109.98 H +ATOM 288 N TYR A 55 143.798 214.087 182.021 1.00 57.39 N +ATOM 289 CA TYR A 55 144.751 213.491 182.944 1.00 50.87 C +ATOM 290 C TYR A 55 146.052 214.275 182.944 1.00 53.00 C +ATOM 291 O TYR A 55 146.293 215.103 182.067 1.00 56.54 O +ATOM 292 CB TYR A 55 145.018 212.027 182.583 1.00 47.51 C +ATOM 293 CG TYR A 55 145.814 211.823 181.312 1.00 57.29 C +ATOM 294 CD1 TYR A 55 147.200 211.744 181.342 1.00 50.51 C +ATOM 295 CD2 TYR A 55 145.178 211.693 180.084 1.00 52.13 C +ATOM 296 CE1 TYR A 55 147.930 211.551 180.186 1.00 52.04 C +ATOM 297 CE2 TYR A 55 145.901 211.499 178.924 1.00 53.11 C +ATOM 298 CZ TYR A 55 147.275 211.429 178.980 1.00 58.70 C +ATOM 299 OH TYR A 55 147.996 211.237 177.827 1.00 51.54 O +ATOM 300 H TYR A 55 144.114 214.213 181.231 1.00 68.87 H +ATOM 301 HA TYR A 55 144.383 213.517 183.841 1.00 61.05 H +ATOM 302 HB2 TYR A 55 145.513 211.614 183.309 1.00 57.01 H +ATOM 303 HB3 TYR A 55 144.167 211.575 182.472 1.00 57.01 H +ATOM 304 HD1 TYR A 55 147.645 211.826 182.155 1.00 60.61 H +ATOM 305 HD2 TYR A 55 144.251 211.740 180.042 1.00 62.56 H +ATOM 306 HE1 TYR A 55 148.858 211.503 180.221 1.00 62.45 H +ATOM 307 HE2 TYR A 55 145.462 211.417 178.108 1.00 63.73 H +ATOM 308 HH TYR A 55 148.817 211.214 178.002 1.00 61.85 H +ATOM 309 N LYS A 56 146.879 214.008 183.946 1.00 67.04 N +ATOM 310 CA LYS A 56 148.167 214.663 184.098 1.00 65.39 C +ATOM 311 C LYS A 56 149.197 213.612 184.473 1.00 50.71 C +ATOM 312 O LYS A 56 148.882 212.669 185.194 1.00 63.19 O +ATOM 313 CB LYS A 56 148.097 215.756 185.167 1.00 60.41 C +ATOM 314 CG LYS A 56 148.647 217.104 184.732 1.00 66.16 C +ATOM 315 CD LYS A 56 150.152 217.069 184.541 1.00 71.41 C +ATOM 316 CE LYS A 56 150.682 218.429 184.120 1.00 79.69 C +ATOM 317 NZ LYS A 56 152.167 218.457 184.049 1.00 82.88 N +ATOM 318 H LYS A 56 146.710 213.436 184.566 1.00 80.45 H +ATOM 319 HA LYS A 56 148.428 215.068 183.256 1.00 78.47 H +ATOM 320 HB2 LYS A 56 147.169 215.884 185.418 1.00 72.49 H +ATOM 321 HB3 LYS A 56 148.607 215.466 185.939 1.00 72.49 H +ATOM 322 HG2 LYS A 56 148.240 217.356 183.888 1.00 79.40 H +ATOM 323 HG3 LYS A 56 148.444 217.765 185.412 1.00 79.40 H +ATOM 324 HD2 LYS A 56 150.577 216.821 185.377 1.00 85.69 H +ATOM 325 HD3 LYS A 56 150.373 216.427 183.847 1.00 85.69 H +ATOM 326 HE2 LYS A 56 150.334 218.647 183.241 1.00 95.63 H +ATOM 327 HE3 LYS A 56 150.398 219.094 184.766 1.00 95.63 H +ATOM 328 HZ1 LYS A 56 152.444 219.265 183.801 1.00 99.45 H +ATOM 329 HZ2 LYS A 56 152.513 218.265 184.847 1.00 99.45 H +ATOM 330 HZ3 LYS A 56 152.455 217.857 183.457 1.00 99.45 H +ATOM 331 N CYS A 57 150.417 213.764 183.971 1.00 53.57 N +ATOM 332 CA CYS A 57 151.506 212.856 184.309 1.00 51.26 C +ATOM 333 C CYS A 57 152.586 213.577 185.099 1.00 47.73 C +ATOM 334 O CYS A 57 153.145 214.573 184.644 1.00 44.02 O +ATOM 335 CB CYS A 57 152.106 212.237 183.048 1.00 48.83 C +ATOM 336 SG CYS A 57 151.009 211.057 182.233 1.00 52.05 S +ATOM 337 H CYS A 57 150.642 214.391 183.427 1.00 64.28 H +ATOM 338 HA CYS A 57 151.159 212.138 184.861 1.00 61.52 H +ATOM 339 HB2 CYS A 57 152.304 212.945 182.415 1.00 58.59 H +ATOM 340 HB3 CYS A 57 152.922 211.769 183.285 1.00 58.59 H +ATOM 341 N ASP A 58 152.859 213.066 186.294 1.00 51.05 N +ATOM 342 CA ASP A 58 153.920 213.592 187.140 1.00 48.91 C +ATOM 343 C ASP A 58 155.228 212.885 186.801 1.00 49.74 C +ATOM 344 O ASP A 58 155.409 211.712 187.126 1.00 49.42 O +ATOM 345 CB ASP A 58 153.566 213.403 188.613 1.00 44.56 C +ATOM 346 CG ASP A 58 154.517 214.127 189.540 1.00 42.79 C +ATOM 347 OD1 ASP A 58 155.528 214.679 189.059 1.00 45.60 O +ATOM 348 OD2 ASP A 58 154.252 214.139 190.758 1.00 41.33 O +ATOM 349 H ASP A 58 152.436 212.404 186.641 1.00 61.25 H +ATOM 350 HA ASP A 58 154.030 214.540 186.969 1.00 58.69 H +ATOM 351 HB2 ASP A 58 152.673 213.748 188.771 1.00 53.47 H +ATOM 352 HB3 ASP A 58 153.600 212.458 188.828 1.00 53.47 H +ATOM 353 N CYS A 59 156.130 213.607 186.145 1.00 51.72 N +ATOM 354 CA CYS A 59 157.356 213.023 185.611 1.00 54.08 C +ATOM 355 C CYS A 59 158.543 213.174 186.560 1.00 43.57 C +ATOM 356 O CYS A 59 159.679 212.893 186.186 1.00 39.75 O +ATOM 357 CB CYS A 59 157.693 213.666 184.263 1.00 59.08 C +ATOM 358 SG CYS A 59 156.506 213.308 182.949 1.00 49.82 S +ATOM 359 H CYS A 59 156.054 214.451 185.994 1.00 62.06 H +ATOM 360 HA CYS A 59 157.213 212.075 185.462 1.00 64.90 H +ATOM 361 HB2 CYS A 59 157.725 214.629 184.378 1.00 70.89 H +ATOM 362 HB3 CYS A 59 158.561 213.343 183.973 1.00 70.89 H +ATOM 363 N THR A 60 158.268 213.610 187.785 1.00 37.91 N +ATOM 364 CA THR A 60 159.309 213.891 188.770 1.00 36.11 C +ATOM 365 C THR A 60 160.290 212.733 188.959 1.00 40.17 C +ATOM 366 O THR A 60 159.901 211.622 189.316 1.00 42.19 O +ATOM 367 CB THR A 60 158.681 214.240 190.134 1.00 42.84 C +ATOM 368 OG1 THR A 60 157.851 215.399 189.990 1.00 37.94 O +ATOM 369 CG2 THR A 60 159.755 214.521 191.183 1.00 36.58 C +ATOM 370 H THR A 60 157.471 213.754 188.075 1.00 45.49 H +ATOM 371 HA THR A 60 159.817 214.662 188.473 1.00 43.33 H +ATOM 372 HB THR A 60 158.142 213.494 190.440 1.00 51.41 H +ATOM 373 HG1 THR A 60 157.240 215.247 189.434 1.00 45.53 H +ATOM 374 HG21 THR A 60 159.340 214.738 192.032 1.00 43.89 H +ATOM 375 HG22 THR A 60 160.318 213.740 191.298 1.00 43.89 H +ATOM 376 HG23 THR A 60 160.306 215.268 190.901 1.00 43.89 H +ATOM 377 N ARG A 61 161.565 213.017 188.706 1.00 41.69 N +ATOM 378 CA ARG A 61 162.664 212.076 188.924 1.00 38.86 C +ATOM 379 C ARG A 61 162.499 210.751 188.172 1.00 33.56 C +ATOM 380 O ARG A 61 163.055 209.731 188.573 1.00 42.76 O +ATOM 381 CB ARG A 61 162.828 211.807 190.423 1.00 34.10 C +ATOM 382 CG ARG A 61 163.348 213.004 191.197 1.00 39.16 C +ATOM 383 CD ARG A 61 163.608 212.666 192.654 1.00 41.55 C +ATOM 384 NE ARG A 61 162.371 212.434 193.392 1.00 40.00 N +ATOM 385 CZ ARG A 61 161.588 213.398 193.863 1.00 41.41 C +ATOM 386 NH1 ARG A 61 161.902 214.673 193.670 1.00 40.23 N +ATOM 387 NH2 ARG A 61 160.482 213.090 194.523 1.00 41.59 N +ATOM 388 H ARG A 61 161.828 213.776 188.397 1.00 50.03 H +ATOM 389 HA ARG A 61 163.485 212.486 188.611 1.00 46.63 H +ATOM 390 HB2 ARG A 61 161.965 211.564 190.794 1.00 40.93 H +ATOM 391 HB3 ARG A 61 163.456 211.078 190.544 1.00 40.93 H +ATOM 392 HG2 ARG A 61 164.182 213.302 190.801 1.00 46.99 H +ATOM 393 HG3 ARG A 61 162.689 213.715 191.164 1.00 46.99 H +ATOM 394 HD2 ARG A 61 164.145 211.860 192.703 1.00 49.86 H +ATOM 395 HD3 ARG A 61 164.076 213.405 193.073 1.00 49.86 H +ATOM 396 HE ARG A 61 162.134 211.619 193.532 1.00 48.00 H +ATOM 397 HH11 ARG A 61 162.618 214.879 193.241 1.00 48.28 H +ATOM 398 HH12 ARG A 61 161.390 215.293 193.975 1.00 48.28 H +ATOM 399 HH21 ARG A 61 160.273 212.265 194.650 1.00 49.90 H +ATOM 400 HH22 ARG A 61 159.974 213.714 194.826 1.00 49.90 H +ATOM 401 N THR A 62 161.757 210.776 187.071 1.00 36.24 N +ATOM 402 CA THR A 62 161.575 209.584 186.248 1.00 35.83 C +ATOM 403 C THR A 62 162.693 209.435 185.221 1.00 36.91 C +ATOM 404 O THR A 62 162.958 208.335 184.739 1.00 36.90 O +ATOM 405 CB THR A 62 160.232 209.610 185.499 1.00 43.75 C +ATOM 406 OG1 THR A 62 160.160 210.780 184.674 1.00 40.10 O +ATOM 407 CG2 THR A 62 159.071 209.604 186.483 1.00 53.46 C +ATOM 408 H THR A 62 161.346 211.472 186.778 1.00 43.49 H +ATOM 409 HA THR A 62 161.586 208.801 186.819 1.00 42.99 H +ATOM 410 HB THR A 62 160.162 208.820 184.941 1.00 52.51 H +ATOM 411 HG1 THR A 62 160.224 211.470 185.148 1.00 48.12 H +ATOM 412 HG21 THR A 62 158.229 209.621 186.001 1.00 64.16 H +ATOM 413 HG22 THR A 62 159.105 208.805 187.031 1.00 64.16 H +ATOM 414 HG23 THR A 62 159.120 210.383 187.058 1.00 64.16 H +ATOM 415 N GLY A 63 163.347 210.546 184.895 1.00 41.63 N +ATOM 416 CA GLY A 63 164.361 210.567 183.858 1.00 49.89 C +ATOM 417 C GLY A 63 163.766 210.931 182.510 1.00 48.06 C +ATOM 418 O GLY A 63 164.478 211.016 181.510 1.00 48.26 O +ATOM 419 H GLY A 63 163.215 211.310 185.267 1.00 49.95 H +ATOM 420 HA2 GLY A 63 165.044 211.218 184.082 1.00 59.86 H +ATOM 421 HA3 GLY A 63 164.776 209.693 183.788 1.00 59.86 H +ATOM 422 N PHE A 64 162.454 211.142 182.489 1.00 44.18 N +ATOM 423 CA PHE A 64 161.735 211.484 181.268 1.00 42.65 C +ATOM 424 C PHE A 64 160.872 212.718 181.501 1.00 53.83 C +ATOM 425 O PHE A 64 160.620 213.103 182.642 1.00 40.33 O +ATOM 426 CB PHE A 64 160.858 210.317 180.806 1.00 41.31 C +ATOM 427 CG PHE A 64 161.618 209.047 180.541 1.00 46.60 C +ATOM 428 CD1 PHE A 64 162.154 208.312 181.584 1.00 45.36 C +ATOM 429 CD2 PHE A 64 161.777 208.577 179.248 1.00 48.55 C +ATOM 430 CE1 PHE A 64 162.847 207.146 181.342 1.00 48.86 C +ATOM 431 CE2 PHE A 64 162.468 207.408 179.002 1.00 47.04 C +ATOM 432 CZ PHE A 64 163.002 206.692 180.050 1.00 47.95 C +ATOM 433 H PHE A 64 161.949 211.092 183.183 1.00 53.02 H +ATOM 434 HA PHE A 64 162.372 211.685 180.565 1.00 51.18 H +ATOM 435 HB2 PHE A 64 160.200 210.130 181.494 1.00 49.57 H +ATOM 436 HB3 PHE A 64 160.410 210.570 179.984 1.00 49.57 H +ATOM 437 HD1 PHE A 64 162.054 208.614 182.458 1.00 54.43 H +ATOM 438 HD2 PHE A 64 161.419 209.058 178.537 1.00 58.26 H +ATOM 439 HE1 PHE A 64 163.206 206.663 182.051 1.00 58.63 H +ATOM 440 HE2 PHE A 64 162.573 207.104 178.129 1.00 56.45 H +ATOM 441 HZ PHE A 64 163.468 205.904 179.885 1.00 57.55 H +ATOM 442 N TYR A 65 160.434 213.335 180.409 1.00 55.66 N +ATOM 443 CA TYR A 65 159.490 214.442 180.462 1.00 51.01 C +ATOM 444 C TYR A 65 158.520 214.317 179.294 1.00 54.08 C +ATOM 445 O TYR A 65 158.617 213.382 178.503 1.00 51.46 O +ATOM 446 CB TYR A 65 160.216 215.787 180.422 1.00 52.64 C +ATOM 447 CG TYR A 65 161.055 215.993 179.185 1.00 61.69 C +ATOM 448 CD1 TYR A 65 162.388 215.609 179.156 1.00 69.85 C +ATOM 449 CD2 TYR A 65 160.515 216.573 178.045 1.00 87.00 C +ATOM 450 CE1 TYR A 65 163.161 215.796 178.026 1.00 79.99 C +ATOM 451 CE2 TYR A 65 161.281 216.764 176.909 1.00 81.35 C +ATOM 452 CZ TYR A 65 162.603 216.374 176.905 1.00 84.04 C +ATOM 453 OH TYR A 65 163.369 216.562 175.777 1.00 71.21 O +ATOM 454 H TYR A 65 160.675 213.125 179.610 1.00 66.80 H +ATOM 455 HA TYR A 65 158.983 214.392 181.288 1.00 61.21 H +ATOM 456 HB2 TYR A 65 159.557 216.499 180.455 1.00 63.17 H +ATOM 457 HB3 TYR A 65 160.803 215.848 181.192 1.00 63.17 H +ATOM 458 HD1 TYR A 65 162.767 215.219 179.911 1.00 83.82 H +ATOM 459 HD2 TYR A 65 159.623 216.837 178.045 1.00104.40 H +ATOM 460 HE1 TYR A 65 164.053 215.533 178.021 1.00 95.99 H +ATOM 461 HE2 TYR A 65 160.906 217.153 176.153 1.00 97.62 H +ATOM 462 HH TYR A 65 162.908 216.921 175.174 1.00 85.45 H +ATOM 463 N GLY A 66 157.588 215.259 179.193 1.00 55.90 N +ATOM 464 CA GLY A 66 156.582 215.235 178.149 1.00 49.06 C +ATOM 465 C GLY A 66 155.225 214.863 178.709 1.00 52.41 C +ATOM 466 O GLY A 66 155.097 214.578 179.899 1.00 56.04 O +ATOM 467 H GLY A 66 157.520 215.930 179.727 1.00 67.07 H +ATOM 468 HA2 GLY A 66 156.519 216.110 177.734 1.00 58.87 H +ATOM 469 HA3 GLY A 66 156.828 214.586 177.471 1.00 58.87 H +ATOM 470 N GLU A 67 154.214 214.858 177.847 1.00 57.79 N +ATOM 471 CA GLU A 67 152.842 214.602 178.273 1.00 65.12 C +ATOM 472 C GLU A 67 152.701 213.240 178.944 1.00 63.29 C +ATOM 473 O GLU A 67 152.034 213.117 179.969 1.00 60.41 O +ATOM 474 CB GLU A 67 151.886 214.691 177.082 1.00 79.51 C +ATOM 475 CG GLU A 67 150.416 214.568 177.464 1.00 82.36 C +ATOM 476 CD GLU A 67 149.486 214.643 176.269 1.00 86.75 C +ATOM 477 OE1 GLU A 67 149.949 215.009 175.167 1.00 83.82 O +ATOM 478 OE2 GLU A 67 148.287 214.333 176.434 1.00 72.16 O +ATOM 479 H GLU A 67 154.296 215.002 177.003 1.00 69.35 H +ATOM 480 HA GLU A 67 152.581 215.280 178.917 1.00 78.15 H +ATOM 481 HB2 GLU A 67 152.008 215.549 176.646 1.00 95.42 H +ATOM 482 HB3 GLU A 67 152.092 213.975 176.461 1.00 95.42 H +ATOM 483 HG2 GLU A 67 150.274 213.713 177.900 1.00 98.84 H +ATOM 484 HG3 GLU A 67 150.186 215.291 178.069 1.00 98.84 H +ATOM 485 N ASN A 68 153.330 212.223 178.360 1.00 59.01 N +ATOM 486 CA ASN A 68 153.251 210.858 178.875 1.00 60.29 C +ATOM 487 C ASN A 68 154.580 210.361 179.444 1.00 45.65 C +ATOM 488 O ASN A 68 154.793 209.156 179.567 1.00 46.12 O +ATOM 489 CB ASN A 68 152.776 209.908 177.771 1.00 66.14 C +ATOM 490 CG ASN A 68 151.365 210.213 177.306 1.00 52.49 C +ATOM 491 OD1 ASN A 68 150.501 210.576 178.103 1.00 50.92 O +ATOM 492 ND2 ASN A 68 151.124 210.063 176.010 1.00 54.45 N +ATOM 493 H ASN A 68 153.816 212.300 177.655 1.00 70.81 H +ATOM 494 HA ASN A 68 152.596 210.832 179.590 1.00 72.35 H +ATOM 495 HB2 ASN A 68 153.368 209.989 177.007 1.00 79.36 H +ATOM 496 HB3 ASN A 68 152.791 208.998 178.108 1.00 79.36 H +ATOM 497 HD21 ASN A 68 150.340 210.223 175.697 1.00 65.34 H +ATOM 498 HD22 ASN A 68 151.753 209.805 175.483 1.00 65.34 H +ATOM 499 N CYS A 69 155.465 211.291 179.794 1.00 48.22 N +ATOM 500 CA CYS A 69 156.771 210.947 180.355 1.00 46.90 C +ATOM 501 C CYS A 69 157.536 210.001 179.433 1.00 45.56 C +ATOM 502 O CYS A 69 158.149 209.038 179.893 1.00 41.24 O +ATOM 503 CB CYS A 69 156.614 210.308 181.741 1.00 51.45 C +ATOM 504 SG CYS A 69 155.873 211.377 183.001 1.00 52.83 S +ATOM 505 H CYS A 69 155.332 212.137 179.715 1.00 57.86 H +ATOM 506 HA CYS A 69 157.295 211.757 180.456 1.00 56.27 H +ATOM 507 HB2 CYS A 69 156.050 209.523 181.656 1.00 61.74 H +ATOM 508 HB3 CYS A 69 157.491 210.045 182.060 1.00 61.74 H +ATOM 509 N SER A 70 157.499 210.285 178.135 1.00 52.32 N +ATOM 510 CA SER A 70 158.058 209.388 177.127 1.00 45.96 C +ATOM 511 C SER A 70 159.399 209.869 176.584 1.00 43.94 C +ATOM 512 O SER A 70 160.208 209.067 176.116 1.00 49.29 O +ATOM 513 CB SER A 70 157.070 209.223 175.973 1.00 49.89 C +ATOM 514 OG SER A 70 155.887 208.579 176.410 1.00 54.32 O +ATOM 515 H SER A 70 157.152 211.001 177.808 1.00 62.79 H +ATOM 516 HA SER A 70 158.196 208.516 177.528 1.00 55.15 H +ATOM 517 HB2 SER A 70 156.843 210.099 175.623 1.00 59.87 H +ATOM 518 HB3 SER A 70 157.483 208.686 175.278 1.00 59.87 H +ATOM 519 HG SER A 70 155.352 208.494 175.768 1.00 65.19 H +ATOM 520 N THR A 71 159.634 211.175 176.646 1.00 46.75 N +ATOM 521 CA THR A 71 160.858 211.757 176.105 1.00 47.42 C +ATOM 522 C THR A 71 161.990 211.706 177.134 1.00 47.32 C +ATOM 523 O THR A 71 161.904 212.351 178.175 1.00 53.22 O +ATOM 524 CB THR A 71 160.642 213.213 175.681 1.00 49.99 C +ATOM 525 OG1 THR A 71 159.430 213.315 174.924 1.00 51.49 O +ATOM 526 CG2 THR A 71 161.811 213.704 174.838 1.00 54.74 C +ATOM 527 H THR A 71 159.099 211.749 176.998 1.00 56.10 H +ATOM 528 HA THR A 71 161.134 211.252 175.325 1.00 56.90 H +ATOM 529 HB THR A 71 160.577 213.773 176.471 1.00 59.99 H +ATOM 530 HG1 THR A 71 159.304 214.111 174.688 1.00 61.79 H +ATOM 531 HG21 THR A 71 161.665 214.626 174.574 1.00 65.69 H +ATOM 532 HG22 THR A 71 162.634 213.648 175.348 1.00 65.69 H +ATOM 533 HG23 THR A 71 161.897 213.158 174.040 1.00 65.69 H +ATOM 534 N PRO A 72 163.065 210.948 176.845 1.00 47.41 N +ATOM 535 CA PRO A 72 164.157 210.835 177.820 1.00 46.21 C +ATOM 536 C PRO A 72 164.988 212.106 177.936 1.00 48.12 C +ATOM 537 O PRO A 72 165.149 212.829 176.955 1.00 62.30 O +ATOM 538 CB PRO A 72 165.003 209.693 177.260 1.00 49.83 C +ATOM 539 CG PRO A 72 164.783 209.762 175.798 1.00 54.39 C +ATOM 540 CD PRO A 72 163.354 210.186 175.617 1.00 50.39 C +ATOM 541 HA PRO A 72 163.813 210.589 178.693 1.00 55.46 H +ATOM 542 HB2 PRO A 72 165.937 209.838 177.476 1.00 59.80 H +ATOM 543 HB3 PRO A 72 164.692 208.846 177.617 1.00 59.80 H +ATOM 544 HG2 PRO A 72 165.384 210.416 175.410 1.00 65.26 H +ATOM 545 HG3 PRO A 72 164.931 208.887 175.406 1.00 65.26 H +ATOM 546 HD2 PRO A 72 163.267 210.757 174.837 1.00 60.47 H +ATOM 547 HD3 PRO A 72 162.776 209.410 175.556 1.00 60.47 H +ATOM 548 N GLU A 73 165.509 212.369 179.128 1.00 51.41 N +ATOM 549 CA GLU A 73 166.451 213.461 179.322 1.00 43.01 C +ATOM 550 C GLU A 73 167.797 213.058 178.730 1.00 54.88 C +ATOM 551 O GLU A 73 167.979 211.911 178.318 1.00 52.71 O +ATOM 552 CB GLU A 73 166.586 213.804 180.805 1.00 56.06 C +ATOM 553 CG GLU A 73 165.284 214.263 181.444 1.00 57.07 C +ATOM 554 CD GLU A 73 165.398 214.462 182.943 1.00 57.37 C +ATOM 555 OE1 GLU A 73 166.302 213.862 183.561 1.00 58.25 O +ATOM 556 OE2 GLU A 73 164.581 215.222 183.503 1.00 73.89 O +ATOM 557 H GLU A 73 165.332 211.927 179.845 1.00 61.70 H +ATOM 558 HA GLU A 73 166.133 214.249 178.853 1.00 51.61 H +ATOM 559 HB2 GLU A 73 166.890 213.016 181.283 1.00 67.28 H +ATOM 560 HB3 GLU A 73 167.234 214.519 180.904 1.00 67.28 H +ATOM 561 HG2 GLU A 73 165.020 215.109 181.049 1.00 68.49 H +ATOM 562 HG3 GLU A 73 164.600 213.595 181.282 1.00 68.49 H +ATOM 563 N PHE A 74 168.737 213.996 178.684 1.00 57.03 N +ATOM 564 CA PHE A 74 170.031 213.745 178.060 1.00 54.36 C +ATOM 565 C PHE A 74 170.760 212.579 178.723 1.00 53.63 C +ATOM 566 O PHE A 74 171.256 211.680 178.045 1.00 50.91 O +ATOM 567 CB PHE A 74 170.900 215.004 178.111 1.00 50.87 C +ATOM 568 CG PHE A 74 172.261 214.820 177.507 1.00 53.41 C +ATOM 569 CD1 PHE A 74 173.398 214.875 178.294 1.00 52.68 C +ATOM 570 CD2 PHE A 74 172.401 214.572 176.154 1.00 51.84 C +ATOM 571 CE1 PHE A 74 174.649 214.698 177.737 1.00 52.44 C +ATOM 572 CE2 PHE A 74 173.648 214.394 175.596 1.00 52.77 C +ATOM 573 CZ PHE A 74 174.773 214.457 176.388 1.00 52.31 C +ATOM 574 H PHE A 74 168.649 214.788 179.008 1.00 68.44 H +ATOM 575 HA PHE A 74 169.891 213.517 177.128 1.00 65.23 H +ATOM 576 HB2 PHE A 74 170.453 215.714 177.623 1.00 61.05 H +ATOM 577 HB3 PHE A 74 171.019 215.266 179.037 1.00 61.05 H +ATOM 578 HD1 PHE A 74 173.320 215.038 179.206 1.00 63.22 H +ATOM 579 HD2 PHE A 74 171.646 214.528 175.614 1.00 62.20 H +ATOM 580 HE1 PHE A 74 175.408 214.741 178.273 1.00 62.92 H +ATOM 581 HE2 PHE A 74 173.731 214.231 174.684 1.00 63.32 H +ATOM 582 HZ PHE A 74 175.615 214.338 176.012 1.00 62.77 H +ATOM 583 N LEU A 75 170.823 212.596 180.050 1.00 58.94 N +ATOM 584 CA LEU A 75 171.471 211.526 180.803 1.00 61.15 C +ATOM 585 C LEU A 75 170.779 210.186 180.591 1.00 54.47 C +ATOM 586 O LEU A 75 171.435 209.153 180.457 1.00 50.39 O +ATOM 587 CB LEU A 75 171.492 211.862 182.294 1.00 67.58 C +ATOM 588 CG LEU A 75 172.624 212.756 182.816 1.00 92.22 C +ATOM 589 CD1 LEU A 75 173.189 213.689 181.748 1.00 67.63 C +ATOM 590 CD2 LEU A 75 172.132 213.551 184.019 1.00 96.80 C +ATOM 591 H LEU A 75 170.496 213.221 180.542 1.00 70.73 H +ATOM 592 HA LEU A 75 172.389 211.440 180.503 1.00 73.38 H +ATOM 593 HB2 LEU A 75 170.658 212.309 182.511 1.00 81.10 H +ATOM 594 HB3 LEU A 75 171.541 211.028 182.787 1.00 81.10 H +ATOM 595 HG LEU A 75 173.349 212.187 183.120 1.00110.66 H +ATOM 596 HD11 LEU A 75 173.898 214.224 182.140 1.00 81.16 H +ATOM 597 HD12 LEU A 75 173.542 213.156 181.018 1.00 81.16 H +ATOM 598 HD13 LEU A 75 172.479 214.265 181.425 1.00 81.16 H +ATOM 599 HD21 LEU A 75 172.853 214.113 184.342 1.00116.15 H +ATOM 600 HD22 LEU A 75 171.380 214.101 183.747 1.00116.15 H +ATOM 601 HD23 LEU A 75 171.856 212.933 184.714 1.00116.15 H +ATOM 602 N THR A 76 169.452 210.214 180.565 1.00 44.41 N +ATOM 603 CA THR A 76 168.664 209.000 180.406 1.00 44.58 C +ATOM 604 C THR A 76 168.957 208.331 179.068 1.00 48.19 C +ATOM 605 O THR A 76 168.979 207.106 178.975 1.00 46.68 O +ATOM 606 CB THR A 76 167.160 209.298 180.512 1.00 51.16 C +ATOM 607 OG1 THR A 76 166.900 209.990 181.738 1.00 48.42 O +ATOM 608 CG2 THR A 76 166.347 208.010 180.474 1.00 42.24 C +ATOM 609 H THR A 76 168.981 210.929 180.639 1.00 53.29 H +ATOM 610 HA THR A 76 168.897 208.376 181.111 1.00 53.50 H +ATOM 611 HB THR A 76 166.888 209.853 179.765 1.00 61.40 H +ATOM 612 HG1 THR A 76 166.079 210.157 181.805 1.00 58.11 H +ATOM 613 HG21 THR A 76 165.401 208.214 180.542 1.00 50.69 H +ATOM 614 HG22 THR A 76 166.509 207.540 179.642 1.00 50.69 H +ATOM 615 HG23 THR A 76 166.599 207.437 181.215 1.00 50.69 H +ATOM 616 N ARG A 77 169.180 209.141 178.036 1.00 57.15 N +ATOM 617 CA ARG A 77 169.543 208.627 176.719 1.00 48.57 C +ATOM 618 C ARG A 77 170.836 207.834 176.773 1.00 47.11 C +ATOM 619 O ARG A 77 170.945 206.768 176.171 1.00 53.07 O +ATOM 620 CB ARG A 77 169.689 209.768 175.713 1.00 50.44 C +ATOM 621 CG ARG A 77 168.394 210.145 175.039 1.00 75.37 C +ATOM 622 CD ARG A 77 168.600 211.178 173.949 1.00 52.40 C +ATOM 623 NE ARG A 77 167.316 211.669 173.463 1.00 51.83 N +ATOM 624 CZ ARG A 77 166.484 210.960 172.709 1.00 52.54 C +ATOM 625 NH1 ARG A 77 166.799 209.722 172.346 1.00 53.03 N +ATOM 626 NH2 ARG A 77 165.333 211.487 172.318 1.00 53.28 N +ATOM 627 H ARG A 77 169.126 209.998 178.074 1.00 68.58 H +ATOM 628 HA ARG A 77 168.840 208.036 176.405 1.00 58.29 H +ATOM 629 HB2 ARG A 77 170.023 210.552 176.175 1.00 60.53 H +ATOM 630 HB3 ARG A 77 170.316 209.499 175.024 1.00 60.53 H +ATOM 631 HG2 ARG A 77 168.003 209.355 174.636 1.00 90.44 H +ATOM 632 HG3 ARG A 77 167.789 210.518 175.698 1.00 90.44 H +ATOM 633 HD2 ARG A 77 169.101 211.929 174.305 1.00 62.88 H +ATOM 634 HD3 ARG A 77 169.075 210.775 173.206 1.00 62.88 H +ATOM 635 HE ARG A 77 167.102 212.482 173.643 1.00 62.19 H +ATOM 636 HH11 ARG A 77 167.544 209.377 172.600 1.00 63.64 H +ATOM 637 HH12 ARG A 77 166.258 209.267 171.857 1.00 63.64 H +ATOM 638 HH21 ARG A 77 165.127 212.289 172.550 1.00 63.93 H +ATOM 639 HH22 ARG A 77 164.795 211.029 171.827 1.00 63.93 H +ATOM 640 N ILE A 78 171.816 208.367 177.493 1.00 51.13 N +ATOM 641 CA ILE A 78 173.115 207.724 177.607 1.00 51.53 C +ATOM 642 C ILE A 78 172.993 206.404 178.357 1.00 57.16 C +ATOM 643 O ILE A 78 173.480 205.377 177.889 1.00 61.13 O +ATOM 644 CB ILE A 78 174.133 208.639 178.315 1.00 52.29 C +ATOM 645 CG1 ILE A 78 174.372 209.891 177.463 1.00 55.37 C +ATOM 646 CG2 ILE A 78 175.448 207.896 178.562 1.00 52.27 C +ATOM 647 CD1 ILE A 78 175.328 210.900 178.067 1.00 55.82 C +ATOM 648 H ILE A 78 171.751 209.106 177.928 1.00 61.35 H +ATOM 649 HA ILE A 78 173.452 207.533 176.718 1.00 61.84 H +ATOM 650 HB ILE A 78 173.764 208.911 179.170 1.00 62.75 H +ATOM 651 HG12 ILE A 78 174.737 209.617 176.607 1.00 66.44 H +ATOM 652 HG13 ILE A 78 173.522 210.338 177.326 1.00 66.44 H +ATOM 653 HG21 ILE A 78 176.069 208.494 179.007 1.00 62.73 H +ATOM 654 HG22 ILE A 78 175.273 207.123 179.121 1.00 62.73 H +ATOM 655 HG23 ILE A 78 175.814 207.612 177.710 1.00 62.73 H +ATOM 656 HD11 ILE A 78 175.416 211.652 177.461 1.00 66.98 H +ATOM 657 HD12 ILE A 78 174.973 211.200 178.918 1.00 66.98 H +ATOM 658 HD13 ILE A 78 176.191 210.477 178.198 1.00 66.98 H +ATOM 659 N LYS A 79 172.345 206.437 179.517 1.00 53.60 N +ATOM 660 CA LYS A 79 172.129 205.230 180.311 1.00 50.66 C +ATOM 661 C LYS A 79 171.408 204.163 179.495 1.00 58.54 C +ATOM 662 O LYS A 79 171.841 203.012 179.442 1.00 61.60 O +ATOM 663 CB LYS A 79 171.325 205.552 181.571 1.00 51.27 C +ATOM 664 CG LYS A 79 172.073 206.393 182.591 1.00 52.30 C +ATOM 665 CD LYS A 79 171.121 207.051 183.579 1.00 60.94 C +ATOM 666 CE LYS A 79 170.269 206.031 184.320 1.00 62.29 C +ATOM 667 NZ LYS A 79 169.370 206.682 185.313 1.00 67.27 N +ATOM 668 H LYS A 79 172.018 207.150 179.870 1.00 64.32 H +ATOM 669 HA LYS A 79 172.988 204.872 180.584 1.00 60.79 H +ATOM 670 HB2 LYS A 79 170.527 206.041 181.315 1.00 61.52 H +ATOM 671 HB3 LYS A 79 171.075 204.720 182.002 1.00 61.52 H +ATOM 672 HG2 LYS A 79 172.682 205.826 183.089 1.00 62.75 H +ATOM 673 HG3 LYS A 79 172.564 207.092 182.132 1.00 62.75 H +ATOM 674 HD2 LYS A 79 171.635 207.548 184.235 1.00 73.12 H +ATOM 675 HD3 LYS A 79 170.526 207.649 183.099 1.00 73.12 H +ATOM 676 HE2 LYS A 79 169.718 205.550 183.682 1.00 74.75 H +ATOM 677 HE3 LYS A 79 170.849 205.414 184.794 1.00 74.75 H +ATOM 678 HZ1 LYS A 79 168.884 206.066 185.733 1.00 80.73 H +ATOM 679 HZ2 LYS A 79 169.853 207.127 185.914 1.00 80.73 H +ATOM 680 HZ3 LYS A 79 168.824 207.251 184.902 1.00 80.73 H +ATOM 681 N LEU A 80 170.310 204.558 178.859 1.00 59.19 N +ATOM 682 CA LEU A 80 169.516 203.646 178.041 1.00 56.18 C +ATOM 683 C LEU A 80 170.346 202.993 176.945 1.00 64.24 C +ATOM 684 O LEU A 80 170.124 201.836 176.589 1.00 67.04 O +ATOM 685 CB LEU A 80 168.337 204.389 177.412 1.00 50.09 C +ATOM 686 CG LEU A 80 167.026 204.372 178.199 1.00 61.78 C +ATOM 687 CD1 LEU A 80 166.053 205.392 177.632 1.00 59.07 C +ATOM 688 CD2 LEU A 80 166.411 202.978 178.176 1.00 64.73 C +ATOM 689 H LEU A 80 169.999 205.360 178.885 1.00 71.02 H +ATOM 690 HA LEU A 80 169.161 202.943 178.607 1.00 67.42 H +ATOM 691 HB2 LEU A 80 168.591 205.318 177.296 1.00 60.10 H +ATOM 692 HB3 LEU A 80 168.157 203.995 176.544 1.00 60.10 H +ATOM 693 HG LEU A 80 167.206 204.607 179.123 1.00 74.14 H +ATOM 694 HD11 LEU A 80 165.230 205.363 178.145 1.00 70.89 H +ATOM 695 HD12 LEU A 80 166.450 206.274 177.693 1.00 70.89 H +ATOM 696 HD13 LEU A 80 165.872 205.173 176.704 1.00 70.89 H +ATOM 697 HD21 LEU A 80 165.582 202.990 178.679 1.00 77.67 H +ATOM 698 HD22 LEU A 80 166.236 202.726 177.255 1.00 77.67 H +ATOM 699 HD23 LEU A 80 167.034 202.352 178.577 1.00 77.67 H +ATOM 700 N PHE A 81 171.303 203.743 176.413 1.00 73.44 N +ATOM 701 CA PHE A 81 172.111 203.277 175.296 1.00 68.29 C +ATOM 702 C PHE A 81 173.206 202.316 175.749 1.00 61.87 C +ATOM 703 O PHE A 81 173.634 201.452 174.987 1.00 73.78 O +ATOM 704 CB PHE A 81 172.727 204.469 174.563 1.00 75.38 C +ATOM 705 CG PHE A 81 173.652 204.081 173.449 1.00 88.01 C +ATOM 706 CD1 PHE A 81 173.150 203.672 172.225 1.00 74.21 C +ATOM 707 CD2 PHE A 81 175.025 204.124 173.624 1.00 79.02 C +ATOM 708 CE1 PHE A 81 174.000 203.314 171.198 1.00 73.75 C +ATOM 709 CE2 PHE A 81 175.878 203.768 172.600 1.00 68.53 C +ATOM 710 CZ PHE A 81 175.366 203.362 171.386 1.00 68.23 C +ATOM 711 H PHE A 81 171.505 204.534 176.684 1.00 88.13 H +ATOM 712 HA PHE A 81 171.540 202.804 174.671 1.00 81.95 H +ATOM 713 HB2 PHE A 81 172.013 205.005 174.183 1.00 90.46 H +ATOM 714 HB3 PHE A 81 173.233 204.999 175.199 1.00 90.46 H +ATOM 715 HD1 PHE A 81 172.230 203.638 172.094 1.00 89.05 H +ATOM 716 HD2 PHE A 81 175.376 204.397 174.440 1.00 94.82 H +ATOM 717 HE1 PHE A 81 173.652 203.040 170.380 1.00 88.50 H +ATOM 718 HE2 PHE A 81 176.799 203.801 172.728 1.00 82.23 H +ATOM 719 HZ PHE A 81 175.940 203.121 170.695 1.00 81.87 H +ATOM 720 N LEU A 82 173.654 202.466 176.992 1.00 66.30 N +ATOM 721 CA LEU A 82 174.726 201.633 177.530 1.00 69.00 C +ATOM 722 C LEU A 82 174.189 200.454 178.338 1.00 74.19 C +ATOM 723 O LEU A 82 174.930 199.517 178.636 1.00 72.71 O +ATOM 724 CB LEU A 82 175.663 202.474 178.401 1.00 63.95 C +ATOM 725 CG LEU A 82 176.335 203.666 177.708 1.00 63.08 C +ATOM 726 CD1 LEU A 82 177.295 204.362 178.660 1.00 60.99 C +ATOM 727 CD2 LEU A 82 177.056 203.240 176.434 1.00 65.20 C +ATOM 728 H LEU A 82 173.351 203.047 177.548 1.00 79.55 H +ATOM 729 HA LEU A 82 175.245 201.276 176.793 1.00 82.81 H +ATOM 730 HB2 LEU A 82 175.153 202.824 179.148 1.00 76.74 H +ATOM 731 HB3 LEU A 82 176.369 201.898 178.734 1.00 76.74 H +ATOM 732 HG LEU A 82 175.650 204.307 177.458 1.00 75.69 H +ATOM 733 HD11 LEU A 82 177.707 205.110 178.201 1.00 73.19 H +ATOM 734 HD12 LEU A 82 176.800 204.678 179.432 1.00 73.19 H +ATOM 735 HD13 LEU A 82 177.975 203.729 178.939 1.00 73.19 H +ATOM 736 HD21 LEU A 82 177.466 204.019 176.028 1.00 78.24 H +ATOM 737 HD22 LEU A 82 177.738 202.588 176.661 1.00 78.24 H +ATOM 738 HD23 LEU A 82 176.413 202.847 175.823 1.00 78.24 H +ATOM 739 N LYS A 83 172.908 200.498 178.684 1.00 91.81 N +ATOM 740 CA LYS A 83 172.299 199.434 179.475 1.00 72.52 C +ATOM 741 C LYS A 83 172.119 198.162 178.641 1.00 66.02 C +ATOM 742 O LYS A 83 171.475 198.199 177.595 1.00 57.04 O +ATOM 743 CB LYS A 83 170.947 199.885 180.028 1.00 82.03 C +ATOM 744 CG LYS A 83 170.305 198.875 180.971 1.00 68.62 C +ATOM 745 CD LYS A 83 169.108 199.468 181.695 1.00 72.25 C +ATOM 746 CE LYS A 83 168.536 198.491 182.711 1.00 74.56 C +ATOM 747 NZ LYS A 83 167.614 197.501 182.090 1.00 74.81 N +ATOM 748 H LYS A 83 172.368 201.133 178.474 1.00110.17 H +ATOM 749 HA LYS A 83 172.877 199.224 180.224 1.00 87.02 H +ATOM 750 HB2 LYS A 83 171.070 200.713 180.519 1.00 98.44 H +ATOM 751 HB3 LYS A 83 170.337 200.029 179.287 1.00 98.44 H +ATOM 752 HG2 LYS A 83 170.001 198.108 180.460 1.00 82.34 H +ATOM 753 HG3 LYS A 83 170.955 198.598 181.635 1.00 82.34 H +ATOM 754 HD2 LYS A 83 169.383 200.271 182.166 1.00 86.70 H +ATOM 755 HD3 LYS A 83 168.414 199.678 181.050 1.00 86.70 H +ATOM 756 HE2 LYS A 83 169.264 198.005 183.128 1.00 89.48 H +ATOM 757 HE3 LYS A 83 168.039 198.986 183.382 1.00 89.48 H +ATOM 758 HZ1 LYS A 83 167.299 196.947 182.711 1.00 89.77 H +ATOM 759 HZ2 LYS A 83 166.931 197.921 181.704 1.00 89.77 H +ATOM 760 HZ3 LYS A 83 168.048 197.027 181.473 1.00 89.77 H +ATOM 761 N PRO A 84 172.680 197.025 179.098 1.00 64.23 N +ATOM 762 CA PRO A 84 172.465 195.774 178.361 1.00 61.53 C +ATOM 763 C PRO A 84 171.138 195.114 178.719 1.00 63.79 C +ATOM 764 O PRO A 84 170.638 195.317 179.825 1.00 68.08 O +ATOM 765 CB PRO A 84 173.647 194.896 178.800 1.00 58.92 C +ATOM 766 CG PRO A 84 174.346 195.648 179.917 1.00 53.36 C +ATOM 767 CD PRO A 84 173.493 196.803 180.303 1.00 52.37 C +ATOM 768 HA PRO A 84 172.509 195.928 177.405 1.00 73.84 H +ATOM 769 HB2 PRO A 84 173.315 194.043 179.120 1.00 70.70 H +ATOM 770 HB3 PRO A 84 174.249 194.766 178.050 1.00 70.70 H +ATOM 771 HG2 PRO A 84 174.466 195.053 180.674 1.00 64.03 H +ATOM 772 HG3 PRO A 84 175.208 195.961 179.599 1.00 64.03 H +ATOM 773 HD2 PRO A 84 172.928 196.571 181.056 1.00 62.84 H +ATOM 774 HD3 PRO A 84 174.040 197.581 180.492 1.00 62.84 H +ATOM 775 N THR A 85 170.577 194.337 177.798 1.00 63.01 N +ATOM 776 CA THR A 85 169.320 193.645 178.060 1.00 74.43 C +ATOM 777 C THR A 85 169.520 192.583 179.144 1.00 83.18 C +ATOM 778 O THR A 85 170.582 191.970 179.218 1.00 70.33 O +ATOM 779 CB THR A 85 168.760 192.971 176.791 1.00 83.79 C +ATOM 780 OG1 THR A 85 169.708 192.021 176.284 1.00 71.32 O +ATOM 781 CG2 THR A 85 168.461 194.003 175.719 1.00 67.54 C +ATOM 782 H THR A 85 170.904 194.195 177.016 1.00 75.61 H +ATOM 783 HA THR A 85 168.664 194.284 178.378 1.00 89.32 H +ATOM 784 HB THR A 85 167.934 192.512 177.010 1.00100.54 H +ATOM 785 HG1 THR A 85 169.404 191.653 175.592 1.00 85.59 H +ATOM 786 HG21 THR A 85 168.110 193.567 174.927 1.00 81.05 H +ATOM 787 HG22 THR A 85 167.805 194.639 176.045 1.00 81.05 H +ATOM 788 HG23 THR A 85 169.272 194.481 175.482 1.00 81.05 H +ATOM 789 N PRO A 86 168.504 192.369 180.000 1.00 92.65 N +ATOM 790 CA PRO A 86 168.601 191.332 181.036 1.00 74.31 C +ATOM 791 C PRO A 86 168.987 189.964 180.478 1.00 69.66 C +ATOM 792 O PRO A 86 169.737 189.231 181.123 1.00 63.56 O +ATOM 793 CB PRO A 86 167.192 191.305 181.628 1.00 74.58 C +ATOM 794 CG PRO A 86 166.688 192.684 181.430 1.00 85.21 C +ATOM 795 CD PRO A 86 167.257 193.145 180.122 1.00 95.36 C +ATOM 796 HA PRO A 86 169.235 191.595 181.721 1.00 89.17 H +ATOM 797 HB2 PRO A 86 166.645 190.664 181.146 1.00 89.50 H +ATOM 798 HB3 PRO A 86 167.235 191.084 182.571 1.00 89.50 H +ATOM 799 HG2 PRO A 86 165.718 192.674 181.396 1.00102.25 H +ATOM 800 HG3 PRO A 86 166.998 193.250 182.155 1.00102.25 H +ATOM 801 HD2 PRO A 86 166.652 192.930 179.395 1.00114.43 H +ATOM 802 HD3 PRO A 86 167.451 194.095 180.153 1.00114.43 H +ATOM 803 N ASN A 87 168.478 189.631 179.295 1.00 73.59 N +ATOM 804 CA ASN A 87 168.826 188.378 178.635 1.00 69.63 C +ATOM 805 C ASN A 87 170.318 188.297 178.340 1.00 67.51 C +ATOM 806 O ASN A 87 170.908 187.217 178.385 1.00 63.37 O +ATOM 807 CB ASN A 87 168.028 188.219 177.341 1.00 64.02 C +ATOM 808 CG ASN A 87 166.572 187.881 177.592 1.00 63.32 C +ATOM 809 OD1 ASN A 87 166.125 187.820 178.737 1.00 71.55 O +ATOM 810 ND2 ASN A 87 165.823 187.665 176.519 1.00 91.40 N +ATOM 811 H ASN A 87 167.925 190.118 178.852 1.00 88.30 H +ATOM 812 HA ASN A 87 168.596 187.640 179.220 1.00 83.55 H +ATOM 813 HB2 ASN A 87 168.062 189.052 176.844 1.00 76.83 H +ATOM 814 HB3 ASN A 87 168.417 187.503 176.815 1.00 76.83 H +ATOM 815 HD21 ASN A 87 164.990 187.470 176.608 1.00109.68 H +ATOM 816 HD22 ASN A 87 166.169 187.721 175.734 1.00109.68 H +ATOM 817 N THR A 88 170.922 189.441 178.037 1.00 74.55 N +ATOM 818 CA THR A 88 172.361 189.512 177.804 1.00 69.65 C +ATOM 819 C THR A 88 173.104 189.314 179.118 1.00 59.89 C +ATOM 820 O THR A 88 174.040 188.519 179.199 1.00 57.17 O +ATOM 821 CB THR A 88 172.769 190.863 177.169 1.00 67.93 C +ATOM 822 OG1 THR A 88 172.276 190.928 175.825 1.00 61.79 O +ATOM 823 CG2 THR A 88 174.286 191.034 177.155 1.00 61.29 C +ATOM 824 H THR A 88 170.518 190.196 177.960 1.00 89.46 H +ATOM 825 HA THR A 88 172.621 188.801 177.198 1.00 83.58 H +ATOM 826 HB THR A 88 172.386 191.589 177.686 1.00 81.52 H +ATOM 827 HG1 THR A 88 171.439 190.864 175.823 1.00 74.15 H +ATOM 828 HG21 THR A 88 174.520 191.885 176.754 1.00 73.55 H +ATOM 829 HG22 THR A 88 174.630 191.007 178.062 1.00 73.55 H +ATOM 830 HG23 THR A 88 174.695 190.320 176.642 1.00 73.55 H +ATOM 831 N VAL A 89 172.679 190.048 180.142 1.00 62.62 N +ATOM 832 CA VAL A 89 173.248 189.918 181.478 1.00 60.43 C +ATOM 833 C VAL A 89 173.154 188.478 181.968 1.00 53.50 C +ATOM 834 O VAL A 89 174.094 187.950 182.562 1.00 39.24 O +ATOM 835 CB VAL A 89 172.533 190.845 182.486 1.00 57.02 C +ATOM 836 CG1 VAL A 89 173.075 190.642 183.897 1.00 63.54 C +ATOM 837 CG2 VAL A 89 172.683 192.295 182.066 1.00 57.68 C +ATOM 838 H VAL A 89 172.053 190.635 180.088 1.00 75.14 H +ATOM 839 HA VAL A 89 174.185 190.167 181.450 1.00 72.51 H +ATOM 840 HB VAL A 89 171.587 190.632 182.494 1.00 68.43 H +ATOM 841 HG11 VAL A 89 172.607 191.237 184.503 1.00 76.24 H +ATOM 842 HG12 VAL A 89 172.931 189.720 184.160 1.00 76.24 H +ATOM 843 HG13 VAL A 89 174.024 190.844 183.902 1.00 76.24 H +ATOM 844 HG21 VAL A 89 172.227 192.858 182.712 1.00 69.21 H +ATOM 845 HG22 VAL A 89 173.626 192.520 182.038 1.00 69.21 H +ATOM 846 HG23 VAL A 89 172.288 192.412 181.188 1.00 69.21 H +ATOM 847 N HIS A 90 172.012 187.848 181.717 1.00 53.65 N +ATOM 848 CA HIS A 90 171.790 186.478 182.156 1.00 52.21 C +ATOM 849 C HIS A 90 172.701 185.507 181.415 1.00 51.91 C +ATOM 850 O HIS A 90 173.205 184.552 182.004 1.00 45.49 O +ATOM 851 CB HIS A 90 170.329 186.076 181.955 1.00 54.52 C +ATOM 852 CG HIS A 90 170.019 184.689 182.425 1.00 59.41 C +ATOM 853 ND1 HIS A 90 170.121 183.585 181.607 1.00 58.13 N +ATOM 854 CD2 HIS A 90 169.620 184.226 183.633 1.00 55.60 C +ATOM 855 CE1 HIS A 90 169.792 182.502 182.289 1.00 54.72 C +ATOM 856 NE2 HIS A 90 169.483 182.864 183.521 1.00 63.79 N +ATOM 857 H HIS A 90 171.348 188.195 181.294 1.00 64.37 H +ATOM 858 HA HIS A 90 171.990 186.413 183.103 1.00 62.65 H +ATOM 859 HB2 HIS A 90 169.764 186.690 182.448 1.00 65.42 H +ATOM 860 HB3 HIS A 90 170.119 186.123 181.009 1.00 65.42 H +ATOM 861 HD2 HIS A 90 169.463 184.736 184.395 1.00 66.72 H +ATOM 862 HE1 HIS A 90 169.780 181.633 181.958 1.00 65.66 H +ATOM 863 HE2 HIS A 90 169.237 182.333 184.151 1.00 76.55 H +ATOM 864 N TYR A 91 172.904 185.749 180.124 1.00 58.15 N +ATOM 865 CA TYR A 91 173.809 184.927 179.329 1.00 50.08 C +ATOM 866 C TYR A 91 175.216 185.000 179.901 1.00 48.84 C +ATOM 867 O TYR A 91 175.882 183.982 180.083 1.00 52.02 O +ATOM 868 CB TYR A 91 173.819 185.378 177.867 1.00 57.96 C +ATOM 869 CG TYR A 91 174.803 184.613 177.008 1.00 63.50 C +ATOM 870 CD1 TYR A 91 174.402 183.500 176.283 1.00 59.10 C +ATOM 871 CD2 TYR A 91 176.136 184.999 176.931 1.00 56.74 C +ATOM 872 CE1 TYR A 91 175.298 182.795 175.504 1.00 63.32 C +ATOM 873 CE2 TYR A 91 177.039 184.299 176.155 1.00 54.64 C +ATOM 874 CZ TYR A 91 176.614 183.198 175.443 1.00 64.95 C +ATOM 875 OH TYR A 91 177.509 182.498 174.667 1.00 73.46 O +ATOM 876 H TYR A 91 172.527 186.385 179.683 1.00 69.78 H +ATOM 877 HA TYR A 91 173.515 184.004 179.361 1.00 60.09 H +ATOM 878 HB2 TYR A 91 172.933 185.248 177.493 1.00 69.56 H +ATOM 879 HB3 TYR A 91 174.058 186.317 177.830 1.00 69.56 H +ATOM 880 HD1 TYR A 91 173.515 183.224 176.323 1.00 70.91 H +ATOM 881 HD2 TYR A 91 176.425 185.741 177.412 1.00 68.08 H +ATOM 882 HE1 TYR A 91 175.014 182.051 175.022 1.00 75.98 H +ATOM 883 HE2 TYR A 91 177.927 184.570 176.112 1.00 65.57 H +ATOM 884 HH TYR A 91 178.271 182.848 174.719 1.00 88.15 H +ATOM 885 N ILE A 92 175.659 186.221 180.177 1.00 42.34 N +ATOM 886 CA ILE A 92 176.994 186.468 180.701 1.00 42.52 C +ATOM 887 C ILE A 92 177.194 185.797 182.057 1.00 48.11 C +ATOM 888 O ILE A 92 178.249 185.223 182.326 1.00 42.74 O +ATOM 889 CB ILE A 92 177.253 187.984 180.820 1.00 44.98 C +ATOM 890 CG1 ILE A 92 177.385 188.595 179.423 1.00 44.09 C +ATOM 891 CG2 ILE A 92 178.513 188.275 181.639 1.00 41.59 C +ATOM 892 CD1 ILE A 92 177.160 190.085 179.381 1.00 45.67 C +ATOM 893 H ILE A 92 175.195 186.936 180.065 1.00 50.81 H +ATOM 894 HA ILE A 92 177.647 186.099 180.086 1.00 51.02 H +ATOM 895 HB ILE A 92 176.494 188.392 181.265 1.00 53.98 H +ATOM 896 HG12 ILE A 92 178.279 188.422 179.090 1.00 52.90 H +ATOM 897 HG13 ILE A 92 176.731 188.181 178.838 1.00 52.90 H +ATOM 898 HG21 ILE A 92 178.641 189.236 181.691 1.00 49.91 H +ATOM 899 HG22 ILE A 92 178.402 187.908 182.530 1.00 49.91 H +ATOM 900 HG23 ILE A 92 179.275 187.863 181.203 1.00 49.91 H +ATOM 901 HD11 ILE A 92 177.261 190.394 178.467 1.00 54.81 H +ATOM 902 HD12 ILE A 92 176.264 190.278 179.699 1.00 54.81 H +ATOM 903 HD13 ILE A 92 177.814 190.519 179.951 1.00 54.81 H +ATOM 904 N LEU A 93 176.175 185.872 182.906 1.00 50.07 N +ATOM 905 CA LEU A 93 176.267 185.332 184.258 1.00 45.84 C +ATOM 906 C LEU A 93 176.161 183.810 184.281 1.00 45.90 C +ATOM 907 O LEU A 93 176.622 183.169 185.224 1.00 45.29 O +ATOM 908 CB LEU A 93 175.182 185.945 185.147 1.00 49.21 C +ATOM 909 CG LEU A 93 175.511 187.326 185.718 1.00 41.62 C +ATOM 910 CD1 LEU A 93 174.256 188.025 186.200 1.00 50.52 C +ATOM 911 CD2 LEU A 93 176.513 187.202 186.852 1.00 36.82 C +ATOM 912 H LEU A 93 175.416 186.232 182.723 1.00 60.08 H +ATOM 913 HA LEU A 93 177.129 185.574 184.632 1.00 55.01 H +ATOM 914 HB2 LEU A 93 174.369 186.032 184.624 1.00 59.05 H +ATOM 915 HB3 LEU A 93 175.025 185.349 185.896 1.00 59.05 H +ATOM 916 HG LEU A 93 175.911 187.870 185.022 1.00 49.95 H +ATOM 917 HD11 LEU A 93 174.497 188.895 186.555 1.00 60.62 H +ATOM 918 HD12 LEU A 93 173.647 188.130 185.452 1.00 60.62 H +ATOM 919 HD13 LEU A 93 173.841 187.487 186.892 1.00 60.62 H +ATOM 920 HD21 LEU A 93 176.707 188.087 187.199 1.00 44.19 H +ATOM 921 HD22 LEU A 93 176.131 186.649 187.551 1.00 44.19 H +ATOM 922 HD23 LEU A 93 177.325 186.794 186.512 1.00 44.19 H +ATOM 923 N THR A 94 175.561 183.234 183.243 1.00 43.78 N +ATOM 924 CA THR A 94 175.367 181.787 183.171 1.00 45.27 C +ATOM 925 C THR A 94 176.345 181.126 182.198 1.00 49.10 C +ATOM 926 O THR A 94 176.210 179.946 181.877 1.00 43.63 O +ATOM 927 CB THR A 94 173.928 181.441 182.755 1.00 49.21 C +ATOM 928 OG1 THR A 94 173.628 182.050 181.493 1.00 49.14 O +ATOM 929 CG2 THR A 94 172.938 181.932 183.808 1.00 44.98 C +ATOM 930 H THR A 94 175.255 183.662 182.563 1.00 52.53 H +ATOM 931 HA THR A 94 175.521 181.407 184.050 1.00 54.32 H +ATOM 932 HB THR A 94 173.839 180.478 182.676 1.00 59.05 H +ATOM 933 HG1 THR A 94 173.703 182.885 181.552 1.00 58.97 H +ATOM 934 HG21 THR A 94 172.033 181.710 183.540 1.00 53.98 H +ATOM 935 HG22 THR A 94 173.126 181.511 184.661 1.00 53.98 H +ATOM 936 HG23 THR A 94 173.011 182.894 183.908 1.00 53.98 H +ATOM 937 N HIS A 95 177.329 181.893 181.737 1.00 50.86 N +ATOM 938 CA HIS A 95 178.393 181.373 180.882 1.00 57.19 C +ATOM 939 C HIS A 95 179.754 181.787 181.427 1.00 55.31 C +ATOM 940 O HIS A 95 179.837 182.455 182.455 1.00 54.15 O +ATOM 941 CB HIS A 95 178.228 181.872 179.444 1.00 61.33 C +ATOM 942 CG HIS A 95 177.075 181.253 178.718 1.00 57.74 C +ATOM 943 ND1 HIS A 95 175.762 181.531 179.029 1.00 61.10 N +ATOM 944 CD2 HIS A 95 177.040 180.367 177.696 1.00 56.60 C +ATOM 945 CE1 HIS A 95 174.967 180.844 178.228 1.00 66.31 C +ATOM 946 NE2 HIS A 95 175.718 180.130 177.409 1.00 73.83 N +ATOM 947 H HIS A 95 177.404 182.733 181.908 1.00 61.03 H +ATOM 948 HA HIS A 95 178.351 180.404 180.873 1.00 68.62 H +ATOM 949 HB2 HIS A 95 178.088 182.831 179.460 1.00 73.60 H +ATOM 950 HB3 HIS A 95 179.036 181.666 178.948 1.00 73.60 H +ATOM 951 HD1 HIS A 95 175.500 182.069 179.647 1.00 73.32 H +ATOM 952 HD2 HIS A 95 177.774 179.990 177.266 1.00 67.92 H +ATOM 953 HE1 HIS A 95 174.037 180.860 178.239 1.00 79.58 H +ATOM 954 N PHE A 96 180.814 181.381 180.733 1.00 51.31 N +ATOM 955 CA PHE A 96 182.180 181.748 181.102 1.00 54.78 C +ATOM 956 C PHE A 96 182.523 181.261 182.507 1.00 45.71 C +ATOM 957 O PHE A 96 182.929 182.041 183.367 1.00 48.61 O +ATOM 958 CB PHE A 96 182.369 183.264 181.006 1.00 50.44 C +ATOM 959 CG PHE A 96 181.826 183.860 179.740 1.00 59.99 C +ATOM 960 CD1 PHE A 96 182.442 183.618 178.524 1.00 64.21 C +ATOM 961 CD2 PHE A 96 180.700 184.664 179.766 1.00 56.88 C +ATOM 962 CE1 PHE A 96 181.943 184.165 177.357 1.00 56.67 C +ATOM 963 CE2 PHE A 96 180.197 185.214 178.604 1.00 53.87 C +ATOM 964 CZ PHE A 96 180.821 184.964 177.396 1.00 55.38 C +ATOM 965 H PHE A 96 180.767 180.885 180.032 1.00 61.58 H +ATOM 966 HA PHE A 96 182.797 181.330 180.481 1.00 65.74 H +ATOM 967 HB2 PHE A 96 181.912 183.684 181.751 1.00 60.52 H +ATOM 968 HB3 PHE A 96 183.317 183.464 181.045 1.00 60.52 H +ATOM 969 HD1 PHE A 96 183.199 183.079 178.491 1.00 77.06 H +ATOM 970 HD2 PHE A 96 180.276 184.835 180.576 1.00 68.26 H +ATOM 971 HE1 PHE A 96 182.365 183.995 176.545 1.00 68.00 H +ATOM 972 HE2 PHE A 96 179.440 185.752 178.634 1.00 64.65 H +ATOM 973 HZ PHE A 96 180.483 185.333 176.613 1.00 66.46 H +ATOM 974 N LYS A 97 182.367 179.959 182.721 1.00 43.28 N +ATOM 975 CA LYS A 97 182.521 179.361 184.043 1.00 42.72 C +ATOM 976 C LYS A 97 183.916 179.570 184.631 1.00 45.57 C +ATOM 977 O LYS A 97 184.060 179.807 185.830 1.00 51.15 O +ATOM 978 CB LYS A 97 182.210 177.866 183.970 1.00 47.50 C +ATOM 979 CG LYS A 97 182.111 177.186 185.320 1.00 56.77 C +ATOM 980 CD LYS A 97 181.867 175.696 185.163 1.00 68.14 C +ATOM 981 CE LYS A 97 181.747 175.006 186.511 1.00 91.82 C +ATOM 982 NZ LYS A 97 182.965 175.196 187.349 1.00 87.87 N +ATOM 983 H LYS A 97 182.168 179.391 182.107 1.00 51.94 H +ATOM 984 HA LYS A 97 181.880 179.769 184.647 1.00 51.26 H +ATOM 985 HB2 LYS A 97 181.361 177.746 183.516 1.00 57.00 H +ATOM 986 HB3 LYS A 97 182.915 177.425 183.469 1.00 57.00 H +ATOM 987 HG2 LYS A 97 182.942 177.309 185.804 1.00 68.12 H +ATOM 988 HG3 LYS A 97 181.370 177.566 185.818 1.00 68.12 H +ATOM 989 HD2 LYS A 97 181.039 175.556 184.676 1.00 81.76 H +ATOM 990 HD3 LYS A 97 182.610 175.298 184.683 1.00 81.76 H +ATOM 991 HE2 LYS A 97 180.990 175.375 186.991 1.00110.19 H +ATOM 992 HE3 LYS A 97 181.623 174.054 186.372 1.00110.19 H +ATOM 993 HZ1 LYS A 97 182.864 174.781 188.130 1.00105.44 H +ATOM 994 HZ2 LYS A 97 183.676 174.859 186.932 1.00105.44 H +ATOM 995 HZ3 LYS A 97 183.099 176.063 187.497 1.00105.44 H +ATOM 996 N GLY A 98 184.939 179.479 183.789 1.00 46.51 N +ATOM 997 CA GLY A 98 186.310 179.635 184.240 1.00 41.55 C +ATOM 998 C GLY A 98 186.586 181.043 184.724 1.00 39.13 C +ATOM 999 O GLY A 98 187.351 181.253 185.664 1.00 38.80 O +ATOM 1000 H GLY A 98 184.862 179.326 182.946 1.00 55.81 H +ATOM 1001 HA2 GLY A 98 186.484 179.018 184.968 1.00 49.86 H +ATOM 1002 HA3 GLY A 98 186.917 179.433 183.511 1.00 49.86 H +ATOM 1003 N PHE A 99 185.952 182.010 184.072 1.00 41.33 N +ATOM 1004 CA PHE A 99 186.113 183.419 184.408 1.00 44.33 C +ATOM 1005 C PHE A 99 185.500 183.737 185.771 1.00 53.01 C +ATOM 1006 O PHE A 99 186.123 184.397 186.604 1.00 49.39 O +ATOM 1007 CB PHE A 99 185.482 184.282 183.310 1.00 44.25 C +ATOM 1008 CG PHE A 99 185.265 185.715 183.701 1.00 42.95 C +ATOM 1009 CD1 PHE A 99 186.274 186.648 183.555 1.00 44.30 C +ATOM 1010 CD2 PHE A 99 184.040 186.133 184.193 1.00 44.28 C +ATOM 1011 CE1 PHE A 99 186.070 187.969 183.906 1.00 46.10 C +ATOM 1012 CE2 PHE A 99 183.832 187.450 184.545 1.00 38.62 C +ATOM 1013 CZ PHE A 99 184.847 188.369 184.401 1.00 42.69 C +ATOM 1014 H PHE A 99 185.412 181.872 183.417 1.00 49.60 H +ATOM 1015 HA PHE A 99 187.059 183.629 184.448 1.00 53.20 H +ATOM 1016 HB2 PHE A 99 186.064 184.273 182.534 1.00 53.10 H +ATOM 1017 HB3 PHE A 99 184.619 183.906 183.077 1.00 53.10 H +ATOM 1018 HD1 PHE A 99 187.101 186.383 183.222 1.00 53.16 H +ATOM 1019 HD2 PHE A 99 183.351 185.517 184.292 1.00 53.14 H +ATOM 1020 HE1 PHE A 99 186.757 188.588 183.809 1.00 55.32 H +ATOM 1021 HE2 PHE A 99 183.006 187.717 184.878 1.00 46.35 H +ATOM 1022 HZ PHE A 99 184.708 189.257 184.638 1.00 51.23 H +ATOM 1023 N TRP A 100 184.282 183.259 186.001 1.00 49.36 N +ATOM 1024 CA TRP A 100 183.598 183.502 187.266 1.00 47.78 C +ATOM 1025 C TRP A 100 184.302 182.822 188.435 1.00 48.81 C +ATOM 1026 O TRP A 100 184.341 183.366 189.536 1.00 47.56 O +ATOM 1027 CB TRP A 100 182.146 183.037 187.181 1.00 34.73 C +ATOM 1028 CG TRP A 100 181.339 183.890 186.267 1.00 34.93 C +ATOM 1029 CD1 TRP A 100 180.736 183.510 185.108 1.00 37.87 C +ATOM 1030 CD2 TRP A 100 181.068 185.286 186.423 1.00 32.80 C +ATOM 1031 NE1 TRP A 100 180.094 184.580 184.535 1.00 38.12 N +ATOM 1032 CE2 TRP A 100 180.285 185.683 185.324 1.00 35.50 C +ATOM 1033 CE3 TRP A 100 181.408 186.237 187.388 1.00 39.14 C +ATOM 1034 CZ2 TRP A 100 179.835 186.988 185.164 1.00 35.25 C +ATOM 1035 CZ3 TRP A 100 180.962 187.531 187.228 1.00 38.12 C +ATOM 1036 CH2 TRP A 100 180.183 187.896 186.124 1.00 36.19 C +ATOM 1037 H TRP A 100 183.829 182.790 185.440 1.00 59.23 H +ATOM 1038 HA TRP A 100 183.593 184.457 187.439 1.00 57.34 H +ATOM 1039 HB2 TRP A 100 182.123 182.127 186.845 1.00 41.67 H +ATOM 1040 HB3 TRP A 100 181.747 183.077 188.064 1.00 41.67 H +ATOM 1041 HD1 TRP A 100 180.752 182.648 184.758 1.00 45.44 H +ATOM 1042 HE1 TRP A 100 179.647 184.561 183.800 1.00 45.74 H +ATOM 1043 HE3 TRP A 100 181.925 186.002 188.124 1.00 46.97 H +ATOM 1044 HZ2 TRP A 100 179.317 187.234 184.432 1.00 42.30 H +ATOM 1045 HZ3 TRP A 100 181.182 188.172 187.864 1.00 45.75 H +ATOM 1046 HH2 TRP A 100 179.896 188.777 186.043 1.00 43.43 H +ATOM 1047 N ASN A 101 184.862 181.640 188.192 1.00 49.77 N +ATOM 1048 CA ASN A 101 185.636 180.936 189.210 1.00 51.44 C +ATOM 1049 C ASN A 101 186.790 181.784 189.738 1.00 55.27 C +ATOM 1050 O ASN A 101 187.123 181.719 190.921 1.00 59.80 O +ATOM 1051 CB ASN A 101 186.176 179.616 188.654 1.00 42.72 C +ATOM 1052 CG ASN A 101 185.229 178.447 188.879 1.00 72.18 C +ATOM 1053 OD1 ASN A 101 184.129 178.612 189.411 1.00 85.12 O +ATOM 1054 ND2 ASN A 101 185.655 177.256 188.469 1.00100.38 N +ATOM 1055 H ASN A 101 184.808 181.223 187.442 1.00 59.72 H +ATOM 1056 HA ASN A 101 185.054 180.728 189.957 1.00 61.72 H +ATOM 1057 HB2 ASN A 101 186.314 179.709 187.698 1.00 51.27 H +ATOM 1058 HB3 ASN A 101 187.016 179.409 189.092 1.00 51.27 H +ATOM 1059 HD21 ASN A 101 185.157 176.562 188.574 1.00120.45 H +ATOM 1060 HD22 ASN A 101 186.428 177.180 188.100 1.00120.45 H +ATOM 1061 N VAL A 102 187.392 182.581 188.862 1.00 50.51 N +ATOM 1062 CA VAL A 102 188.475 183.470 189.264 1.00 47.54 C +ATOM 1063 C VAL A 102 187.916 184.694 189.981 1.00 47.08 C +ATOM 1064 O VAL A 102 188.418 185.083 191.035 1.00 50.08 O +ATOM 1065 CB VAL A 102 189.320 183.914 188.053 1.00 53.82 C +ATOM 1066 CG1 VAL A 102 190.353 184.966 188.461 1.00 44.39 C +ATOM 1067 CG2 VAL A 102 190.008 182.712 187.430 1.00 49.78 C +ATOM 1068 H VAL A 102 187.192 182.626 188.027 1.00 60.62 H +ATOM 1069 HA VAL A 102 189.058 183.000 189.880 1.00 57.04 H +ATOM 1070 HB VAL A 102 188.736 184.308 187.386 1.00 64.58 H +ATOM 1071 HG11 VAL A 102 190.866 185.223 187.680 1.00 53.27 H +ATOM 1072 HG12 VAL A 102 189.891 185.738 188.824 1.00 53.27 H +ATOM 1073 HG13 VAL A 102 190.941 184.586 189.133 1.00 53.27 H +ATOM 1074 HG21 VAL A 102 190.535 183.008 186.671 1.00 59.73 H +ATOM 1075 HG22 VAL A 102 190.585 182.300 188.092 1.00 59.73 H +ATOM 1076 HG23 VAL A 102 189.334 182.079 187.138 1.00 59.73 H +ATOM 1077 N VAL A 103 186.878 185.298 189.408 1.00 52.22 N +ATOM 1078 CA VAL A 103 186.233 186.458 190.017 1.00 57.28 C +ATOM 1079 C VAL A 103 185.764 186.138 191.432 1.00 55.52 C +ATOM 1080 O VAL A 103 185.928 186.947 192.345 1.00 50.98 O +ATOM 1081 CB VAL A 103 185.028 186.943 189.177 1.00 66.81 C +ATOM 1082 CG1 VAL A 103 184.199 187.983 189.945 1.00 61.50 C +ATOM 1083 CG2 VAL A 103 185.505 187.518 187.853 1.00 57.30 C +ATOM 1084 H VAL A 103 186.526 185.053 188.662 1.00 62.66 H +ATOM 1085 HA VAL A 103 186.874 187.184 190.070 1.00 68.73 H +ATOM 1086 HB VAL A 103 184.453 186.186 188.985 1.00 80.18 H +ATOM 1087 HG11 VAL A 103 183.454 188.264 189.390 1.00 73.80 H +ATOM 1088 HG12 VAL A 103 183.869 187.582 190.764 1.00 73.80 H +ATOM 1089 HG13 VAL A 103 184.763 188.744 190.152 1.00 73.80 H +ATOM 1090 HG21 VAL A 103 184.735 187.815 187.343 1.00 68.76 H +ATOM 1091 HG22 VAL A 103 186.095 188.267 188.028 1.00 68.76 H +ATOM 1092 HG23 VAL A 103 185.980 186.828 187.363 1.00 68.76 H +ATOM 1093 N ASN A 104 185.182 184.956 191.608 1.00 49.38 N +ATOM 1094 CA ASN A 104 184.672 184.542 192.910 1.00 44.80 C +ATOM 1095 C ASN A 104 185.762 184.514 193.975 1.00 42.57 C +ATOM 1096 O ASN A 104 185.484 184.692 195.158 1.00 50.56 O +ATOM 1097 CB ASN A 104 184.017 183.163 192.815 1.00 39.39 C +ATOM 1098 CG ASN A 104 182.749 183.174 191.985 1.00 38.13 C +ATOM 1099 OD1 ASN A 104 182.097 184.206 191.834 1.00 38.39 O +ATOM 1100 ND2 ASN A 104 182.392 182.016 191.441 1.00 35.27 N +ATOM 1101 H ASN A 104 185.069 184.373 190.986 1.00 59.26 H +ATOM 1102 HA ASN A 104 183.994 185.174 193.196 1.00 53.75 H +ATOM 1103 HB2 ASN A 104 184.640 182.544 192.404 1.00 47.27 H +ATOM 1104 HB3 ASN A 104 183.788 182.859 193.708 1.00 47.27 H +ATOM 1105 HD21 ASN A 104 181.680 181.968 190.960 1.00 42.33 H +ATOM 1106 HD22 ASN A 104 182.872 181.314 191.569 1.00 42.33 H +ATOM 1107 N ASN A 105 187.003 184.296 193.547 1.00 47.22 N +ATOM 1108 CA ASN A 105 188.137 184.213 194.464 1.00 45.31 C +ATOM 1109 C ASN A 105 188.903 185.529 194.587 1.00 43.96 C +ATOM 1110 O ASN A 105 189.951 185.582 195.229 1.00 45.98 O +ATOM 1111 CB ASN A 105 189.089 183.101 194.022 1.00 45.36 C +ATOM 1112 CG ASN A 105 188.557 181.721 194.347 1.00 51.47 C +ATOM 1113 OD1 ASN A 105 188.665 181.255 195.480 1.00 72.24 O +ATOM 1114 ND2 ASN A 105 187.973 181.062 193.356 1.00 65.75 N +ATOM 1115 H ASN A 105 187.216 184.192 192.720 1.00 56.66 H +ATOM 1116 HA ASN A 105 187.806 183.983 195.346 1.00 54.37 H +ATOM 1117 HB2 ASN A 105 189.216 183.156 193.062 1.00 54.43 H +ATOM 1118 HB3 ASN A 105 189.938 183.211 194.477 1.00 54.43 H +ATOM 1119 HD21 ASN A 105 187.655 180.275 193.491 1.00 78.90 H +ATOM 1120 HD22 ASN A 105 187.912 181.422 192.577 1.00 78.90 H +ATOM 1121 N ILE A 105A 188.378 186.582 193.970 1.00 43.09 N +ATOM 1122 CA ILE A 105A 188.917 187.929 194.130 1.00 48.92 C +ATOM 1123 C ILE A 105A 187.902 188.749 194.930 1.00 51.40 C +ATOM 1124 O ILE A 105A 186.985 189.325 194.349 1.00 47.96 O +ATOM 1125 CB ILE A 105A 189.200 188.602 192.774 1.00 57.97 C +ATOM 1126 CG1 ILE A 105A 190.186 187.758 191.964 1.00 52.76 C +ATOM 1127 CG2 ILE A 105A 189.767 190.005 192.982 1.00 42.50 C +ATOM 1128 CD1 ILE A 105A 190.384 188.227 190.535 1.00 52.18 C +ATOM 1129 H ILE A 105A 187.697 186.543 193.446 1.00 51.71 H +ATOM 1130 HA ILE A 105A 189.746 187.889 194.632 1.00 58.70 H +ATOM 1131 HB ILE A 105A 188.368 188.672 192.280 1.00 69.56 H +ATOM 1132 HG12 ILE A 105A 191.050 187.780 192.405 1.00 63.31 H +ATOM 1133 HG13 ILE A 105A 189.859 186.845 191.932 1.00 63.31 H +ATOM 1134 HG21 ILE A 105A 189.936 190.408 192.116 1.00 51.00 H +ATOM 1135 HG22 ILE A 105A 189.121 190.536 193.474 1.00 51.00 H +ATOM 1136 HG23 ILE A 105A 190.594 189.940 193.485 1.00 51.00 H +ATOM 1137 HD11 ILE A 105A 191.020 187.641 190.096 1.00 62.61 H +ATOM 1138 HD12 ILE A 105A 189.532 188.199 190.072 1.00 62.61 H +ATOM 1139 HD13 ILE A 105A 190.725 189.136 190.546 1.00 62.61 H +ATOM 1140 N PRO A 106 188.058 188.795 196.269 1.00 47.42 N +ATOM 1141 CA PRO A 106 187.063 189.428 197.146 1.00 49.25 C +ATOM 1142 C PRO A 106 186.672 190.821 196.682 1.00 50.21 C +ATOM 1143 O PRO A 106 185.503 191.194 196.753 1.00 52.97 O +ATOM 1144 CB PRO A 106 187.778 189.489 198.499 1.00 47.21 C +ATOM 1145 CG PRO A 106 188.766 188.394 198.449 1.00 43.23 C +ATOM 1146 CD PRO A 106 189.231 188.335 197.033 1.00 44.39 C +ATOM 1147 HA PRO A 106 186.271 188.873 197.221 1.00 59.10 H +ATOM 1148 HB2 PRO A 106 188.220 190.347 198.598 1.00 56.65 H +ATOM 1149 HB3 PRO A 106 187.140 189.344 199.214 1.00 56.65 H +ATOM 1150 HG2 PRO A 106 189.505 188.596 199.043 1.00 51.88 H +ATOM 1151 HG3 PRO A 106 188.341 187.561 198.703 1.00 51.88 H +ATOM 1152 HD2 PRO A 106 189.980 188.937 196.898 1.00 53.27 H +ATOM 1153 HD3 PRO A 106 189.458 187.424 196.789 1.00 53.27 H +ATOM 1154 N PHE A 107 187.656 191.570 196.202 1.00 56.20 N +ATOM 1155 CA PHE A 107 187.437 192.916 195.697 1.00 50.47 C +ATOM 1156 C PHE A 107 186.399 192.947 194.577 1.00 45.89 C +ATOM 1157 O PHE A 107 185.479 193.765 194.598 1.00 49.75 O +ATOM 1158 CB PHE A 107 188.761 193.500 195.202 1.00 60.94 C +ATOM 1159 CG PHE A 107 188.611 194.772 194.428 1.00 61.27 C +ATOM 1160 CD1 PHE A 107 188.301 195.957 195.072 1.00 77.28 C +ATOM 1161 CD2 PHE A 107 188.789 194.786 193.057 1.00 63.27 C +ATOM 1162 CE1 PHE A 107 188.163 197.133 194.359 1.00 77.57 C +ATOM 1163 CE2 PHE A 107 188.654 195.957 192.339 1.00 71.68 C +ATOM 1164 CZ PHE A 107 188.341 197.133 192.991 1.00 79.04 C +ATOM 1165 H PHE A 107 188.476 191.315 196.158 1.00 67.44 H +ATOM 1166 HA PHE A 107 187.114 193.475 196.420 1.00 60.57 H +ATOM 1167 HB2 PHE A 107 189.326 193.685 195.969 1.00 73.13 H +ATOM 1168 HB3 PHE A 107 189.192 192.851 194.625 1.00 73.13 H +ATOM 1169 HD1 PHE A 107 188.179 195.961 195.994 1.00 92.73 H +ATOM 1170 HD2 PHE A 107 189.000 193.996 192.613 1.00 75.93 H +ATOM 1171 HE1 PHE A 107 187.953 197.924 194.801 1.00 93.08 H +ATOM 1172 HE2 PHE A 107 188.775 195.954 191.417 1.00 86.02 H +ATOM 1173 HZ PHE A 107 188.250 197.923 192.509 1.00 94.84 H +ATOM 1174 N LEU A 108 186.546 192.057 193.601 1.00 52.54 N +ATOM 1175 CA LEU A 108 185.644 192.026 192.454 1.00 55.80 C +ATOM 1176 C LEU A 108 184.286 191.436 192.813 1.00 46.98 C +ATOM 1177 O LEU A 108 183.251 191.954 192.396 1.00 41.83 O +ATOM 1178 CB LEU A 108 186.257 191.225 191.306 1.00 54.76 C +ATOM 1179 CG LEU A 108 187.559 191.754 190.704 1.00 63.09 C +ATOM 1180 CD1 LEU A 108 187.992 190.855 189.561 1.00 78.18 C +ATOM 1181 CD2 LEU A 108 187.411 193.194 190.230 1.00 53.41 C +ATOM 1182 H LEU A 108 187.162 191.458 193.579 1.00 63.04 H +ATOM 1183 HA LEU A 108 185.501 192.933 192.142 1.00 66.96 H +ATOM 1184 HB2 LEU A 108 186.436 190.327 191.627 1.00 65.71 H +ATOM 1185 HB3 LEU A 108 185.607 191.183 190.587 1.00 65.71 H +ATOM 1186 HG LEU A 108 188.252 191.732 191.382 1.00 75.71 H +ATOM 1187 HD11 LEU A 108 188.818 191.198 189.185 1.00 93.81 H +ATOM 1188 HD12 LEU A 108 188.131 189.957 189.900 1.00 93.81 H +ATOM 1189 HD13 LEU A 108 187.298 190.849 188.883 1.00 93.81 H +ATOM 1190 HD21 LEU A 108 188.256 193.491 189.856 1.00 64.09 H +ATOM 1191 HD22 LEU A 108 186.718 193.233 189.553 1.00 64.09 H +ATOM 1192 HD23 LEU A 108 187.169 193.752 190.985 1.00 64.09 H +ATOM 1193 N ARG A 109 184.299 190.345 193.571 1.00 45.76 N +ATOM 1194 CA ARG A 109 183.065 189.688 193.986 1.00 45.96 C +ATOM 1195 C ARG A 109 182.166 190.656 194.748 1.00 47.88 C +ATOM 1196 O ARG A 109 180.970 190.749 194.477 1.00 38.52 O +ATOM 1197 CB ARG A 109 183.370 188.469 194.856 1.00 46.27 C +ATOM 1198 CG ARG A 109 182.155 187.600 195.148 1.00 46.14 C +ATOM 1199 CD ARG A 109 182.371 186.746 196.381 1.00 57.27 C +ATOM 1200 NE ARG A 109 181.247 185.851 196.631 1.00 50.05 N +ATOM 1201 CZ ARG A 109 181.144 185.055 197.690 1.00 49.33 C +ATOM 1202 NH1 ARG A 109 182.100 185.044 198.610 1.00 47.14 N +ATOM 1203 NH2 ARG A 109 180.085 184.272 197.833 1.00 48.79 N +ATOM 1204 H ARG A 109 185.013 189.963 193.860 1.00 54.91 H +ATOM 1205 HA ARG A 109 182.585 189.386 193.199 1.00 55.15 H +ATOM 1206 HB2 ARG A 109 184.026 187.917 194.401 1.00 55.52 H +ATOM 1207 HB3 ARG A 109 183.728 188.772 195.705 1.00 55.52 H +ATOM 1208 HG2 ARG A 109 181.384 188.168 195.302 1.00 55.36 H +ATOM 1209 HG3 ARG A 109 181.993 187.011 194.395 1.00 55.36 H +ATOM 1210 HD2 ARG A 109 183.167 186.206 196.259 1.00 68.73 H +ATOM 1211 HD3 ARG A 109 182.474 187.323 197.154 1.00 68.73 H +ATOM 1212 HE ARG A 109 180.609 185.836 196.054 1.00 60.07 H +ATOM 1213 HH11 ARG A 109 182.789 185.551 198.520 1.00 56.57 H +ATOM 1214 HH12 ARG A 109 182.032 184.529 199.295 1.00 56.57 H +ATOM 1215 HH21 ARG A 109 179.463 184.278 197.240 1.00 58.55 H +ATOM 1216 HH22 ARG A 109 180.020 183.759 198.520 1.00 58.55 H +ATOM 1217 N ASN A 110 182.757 191.379 195.696 1.00 45.56 N +ATOM 1218 CA ASN A 110 182.022 192.336 196.513 1.00 41.51 C +ATOM 1219 C ASN A 110 181.409 193.459 195.686 1.00 48.19 C +ATOM 1220 O ASN A 110 180.238 193.795 195.857 1.00 47.13 O +ATOM 1221 CB ASN A 110 182.937 192.931 197.584 1.00 35.36 C +ATOM 1222 CG ASN A 110 183.341 191.916 198.630 1.00 32.03 C +ATOM 1223 OD1 ASN A 110 182.793 190.817 198.685 1.00 41.22 O +ATOM 1224 ND2 ASN A 110 184.299 192.282 199.471 1.00 33.29 N +ATOM 1225 H ASN A 110 183.595 191.331 195.887 1.00 54.67 H +ATOM 1226 HA ASN A 110 181.299 191.872 196.963 1.00 49.82 H +ATOM 1227 HB2 ASN A 110 183.744 193.264 197.162 1.00 42.43 H +ATOM 1228 HB3 ASN A 110 182.472 193.655 198.032 1.00 42.43 H +ATOM 1229 HD21 ASN A 110 184.563 191.740 200.084 1.00 39.95 H +ATOM 1230 HD22 ASN A 110 184.656 193.062 199.404 1.00 39.95 H +ATOM 1231 N ALA A 111 182.207 194.037 194.795 1.00 44.35 N +ATOM 1232 CA ALA A 111 181.745 195.124 193.940 1.00 39.17 C +ATOM 1233 C ALA A 111 180.573 194.672 193.079 1.00 42.06 C +ATOM 1234 O ALA A 111 179.606 195.409 192.896 1.00 43.48 O +ATOM 1235 CB ALA A 111 182.880 195.630 193.065 1.00 41.19 C +ATOM 1236 H ALA A 111 183.028 193.816 194.665 1.00 53.22 H +ATOM 1237 HA ALA A 111 181.444 195.859 194.497 1.00 47.01 H +ATOM 1238 HB1 ALA A 111 182.549 196.351 192.506 1.00 49.43 H +ATOM 1239 HB2 ALA A 111 183.597 195.952 193.633 1.00 49.43 H +ATOM 1240 HB3 ALA A 111 183.199 194.901 192.510 1.00 49.43 H +ATOM 1241 N ILE A 112 180.666 193.455 192.557 1.00 40.84 N +ATOM 1242 CA ILE A 112 179.616 192.902 191.712 1.00 43.72 C +ATOM 1243 C ILE A 112 178.352 192.642 192.520 1.00 44.88 C +ATOM 1244 O ILE A 112 177.261 193.043 192.118 1.00 43.43 O +ATOM 1245 CB ILE A 112 180.079 191.598 191.027 1.00 47.90 C +ATOM 1246 CG1 ILE A 112 181.104 191.928 189.935 1.00 48.34 C +ATOM 1247 CG2 ILE A 112 178.891 190.837 190.422 1.00 33.32 C +ATOM 1248 CD1 ILE A 112 181.748 190.718 189.296 1.00 48.76 C +ATOM 1249 H ILE A 112 181.332 192.925 192.678 1.00 49.01 H +ATOM 1250 HA ILE A 112 179.400 193.544 191.018 1.00 52.47 H +ATOM 1251 HB ILE A 112 180.504 191.032 191.691 1.00 57.48 H +ATOM 1252 HG12 ILE A 112 180.660 192.430 189.234 1.00 58.01 H +ATOM 1253 HG13 ILE A 112 181.810 192.466 190.325 1.00 58.01 H +ATOM 1254 HG21 ILE A 112 179.218 190.027 190.002 1.00 39.98 H +ATOM 1255 HG22 ILE A 112 178.266 190.615 191.130 1.00 39.98 H +ATOM 1256 HG23 ILE A 112 178.458 191.402 189.763 1.00 39.98 H +ATOM 1257 HD11 ILE A 112 182.378 191.016 188.621 1.00 58.51 H +ATOM 1258 HD12 ILE A 112 182.210 190.209 189.979 1.00 58.51 H +ATOM 1259 HD13 ILE A 112 181.058 190.173 188.886 1.00 58.51 H +ATOM 1260 N MET A 113 178.500 191.964 193.653 1.00 44.15 N +ATOM 1261 CA MET A 113 177.358 191.653 194.499 1.00 45.95 C +ATOM 1262 C MET A 113 176.681 192.938 194.956 1.00 42.90 C +ATOM 1263 O MET A 113 175.455 193.038 194.956 1.00 34.52 O +ATOM 1264 CB MET A 113 177.788 190.822 195.709 1.00 42.78 C +ATOM 1265 CG MET A 113 176.621 190.300 196.528 1.00 40.92 C +ATOM 1266 SD MET A 113 175.575 189.161 195.598 1.00 33.24 S +ATOM 1267 CE MET A 113 173.964 189.587 196.247 1.00 31.64 C +ATOM 1268 H MET A 113 179.252 191.673 193.953 1.00 52.97 H +ATOM 1269 HA MET A 113 176.723 191.127 193.988 1.00 55.15 H +ATOM 1270 HB2 MET A 113 178.299 190.058 195.400 1.00 51.33 H +ATOM 1271 HB3 MET A 113 178.336 191.373 196.289 1.00 51.33 H +ATOM 1272 HG2 MET A 113 176.964 189.829 197.303 1.00 49.11 H +ATOM 1273 HG3 MET A 113 176.073 191.049 196.811 1.00 49.11 H +ATOM 1274 HE1 MET A 113 173.294 189.032 195.818 1.00 37.97 H +ATOM 1275 HE2 MET A 113 173.958 189.432 197.205 1.00 37.97 H +ATOM 1276 HE3 MET A 113 173.787 190.523 196.062 1.00 37.97 H +ATOM 1277 N SER A 114 177.492 193.920 195.334 1.00 39.76 N +ATOM 1278 CA SER A 114 176.992 195.221 195.759 1.00 39.26 C +ATOM 1279 C SER A 114 176.091 195.841 194.694 1.00 45.28 C +ATOM 1280 O SER A 114 175.023 196.368 195.006 1.00 43.81 O +ATOM 1281 CB SER A 114 178.159 196.159 196.069 1.00 44.44 C +ATOM 1282 OG SER A 114 177.698 197.397 196.583 1.00 51.42 O +ATOM 1283 H SER A 114 178.349 193.856 195.353 1.00 47.71 H +ATOM 1284 HA SER A 114 176.469 195.111 196.569 1.00 47.11 H +ATOM 1285 HB2 SER A 114 178.733 195.740 196.728 1.00 53.33 H +ATOM 1286 HB3 SER A 114 178.656 196.323 195.253 1.00 53.33 H +ATOM 1287 HG SER A 114 178.350 197.900 196.748 1.00 61.70 H +ATOM 1288 N TYR A 115 176.523 195.766 193.439 1.00 43.02 N +ATOM 1289 CA TYR A 115 175.755 196.327 192.334 1.00 46.18 C +ATOM 1290 C TYR A 115 174.444 195.578 192.119 1.00 47.05 C +ATOM 1291 O TYR A 115 173.408 196.194 191.859 1.00 39.56 O +ATOM 1292 CB TYR A 115 176.571 196.307 191.042 1.00 48.22 C +ATOM 1293 CG TYR A 115 175.756 196.688 189.829 1.00 47.07 C +ATOM 1294 CD1 TYR A 115 175.495 198.019 189.536 1.00 48.66 C +ATOM 1295 CD2 TYR A 115 175.234 195.717 188.985 1.00 46.04 C +ATOM 1296 CE1 TYR A 115 174.745 198.373 188.435 1.00 51.20 C +ATOM 1297 CE2 TYR A 115 174.483 196.062 187.881 1.00 47.57 C +ATOM 1298 CZ TYR A 115 174.242 197.391 187.611 1.00 51.64 C +ATOM 1299 OH TYR A 115 173.494 197.744 186.511 1.00 92.35 O +ATOM 1300 H TYR A 115 177.260 195.393 193.201 1.00 51.62 H +ATOM 1301 HA TYR A 115 175.541 197.251 192.537 1.00 55.41 H +ATOM 1302 HB2 TYR A 115 177.303 196.937 191.121 1.00 57.87 H +ATOM 1303 HB3 TYR A 115 176.917 195.412 190.901 1.00 57.87 H +ATOM 1304 HD1 TYR A 115 175.834 198.684 190.091 1.00 58.40 H +ATOM 1305 HD2 TYR A 115 175.395 194.819 189.166 1.00 55.25 H +ATOM 1306 HE1 TYR A 115 174.581 199.269 188.249 1.00 61.44 H +ATOM 1307 HE2 TYR A 115 174.141 195.401 187.322 1.00 57.09 H +ATOM 1308 HH TYR A 115 173.250 197.055 186.097 1.00110.82 H +ATOM 1309 N VAL A 116 174.499 194.251 192.206 1.00 42.79 N +ATOM 1310 CA VAL A 116 173.302 193.423 192.107 1.00 40.20 C +ATOM 1311 C VAL A 116 172.264 193.897 193.114 1.00 36.20 C +ATOM 1312 O VAL A 116 171.107 194.110 192.768 1.00 37.00 O +ATOM 1313 CB VAL A 116 173.619 191.924 192.350 1.00 35.82 C +ATOM 1314 CG1 VAL A 116 172.337 191.103 192.515 1.00 34.55 C +ATOM 1315 CG2 VAL A 116 174.453 191.370 191.212 1.00 35.90 C +ATOM 1316 H VAL A 116 175.224 193.804 192.323 1.00 51.34 H +ATOM 1317 HA VAL A 116 172.925 193.513 191.218 1.00 48.24 H +ATOM 1318 HB VAL A 116 174.136 191.840 193.167 1.00 42.98 H +ATOM 1319 HG11 VAL A 116 172.575 190.174 192.665 1.00 41.46 H +ATOM 1320 HG12 VAL A 116 171.840 191.444 193.275 1.00 41.46 H +ATOM 1321 HG13 VAL A 116 171.805 191.183 191.709 1.00 41.46 H +ATOM 1322 HG21 VAL A 116 174.638 190.434 191.384 1.00 43.09 H +ATOM 1323 HG22 VAL A 116 173.956 191.462 190.383 1.00 43.09 H +ATOM 1324 HG23 VAL A 116 175.283 191.868 191.158 1.00 43.09 H +ATOM 1325 N LEU A 117 172.687 194.071 194.361 1.00 39.47 N +ATOM 1326 CA LEU A 117 171.780 194.480 195.426 1.00 41.65 C +ATOM 1327 C LEU A 117 171.201 195.870 195.184 1.00 41.43 C +ATOM 1328 O LEU A 117 169.986 196.057 195.240 1.00 46.19 O +ATOM 1329 CB LEU A 117 172.493 194.448 196.777 1.00 34.77 C +ATOM 1330 CG LEU A 117 173.005 193.083 197.239 1.00 40.78 C +ATOM 1331 CD1 LEU A 117 173.802 193.224 198.522 1.00 28.52 C +ATOM 1332 CD2 LEU A 117 171.859 192.107 197.424 1.00 31.69 C +ATOM 1333 H LEU A 117 173.500 193.958 194.618 1.00 47.37 H +ATOM 1334 HA LEU A 117 171.040 193.853 195.465 1.00 49.98 H +ATOM 1335 HB2 LEU A 117 173.257 195.043 196.732 1.00 41.73 H +ATOM 1336 HB3 LEU A 117 171.876 194.769 197.454 1.00 41.73 H +ATOM 1337 HG LEU A 117 173.597 192.723 196.560 1.00 48.93 H +ATOM 1338 HD11 LEU A 117 174.116 192.348 198.796 1.00 34.22 H +ATOM 1339 HD12 LEU A 117 174.556 193.812 198.362 1.00 34.22 H +ATOM 1340 HD13 LEU A 117 173.229 193.600 199.209 1.00 34.22 H +ATOM 1341 HD21 LEU A 117 172.216 191.254 197.716 1.00 38.03 H +ATOM 1342 HD22 LEU A 117 171.251 192.459 198.092 1.00 38.03 H +ATOM 1343 HD23 LEU A 117 171.397 192.001 196.578 1.00 38.03 H +ATOM 1344 N THR A 118 172.069 196.841 194.918 1.00 40.14 N +ATOM 1345 CA THR A 118 171.632 198.222 194.750 1.00 43.77 C +ATOM 1346 C THR A 118 170.772 198.397 193.501 1.00 49.64 C +ATOM 1347 O THR A 118 169.738 199.060 193.547 1.00 44.84 O +ATOM 1348 CB THR A 118 172.829 199.193 194.671 1.00 44.22 C +ATOM 1349 OG1 THR A 118 173.750 198.749 193.667 1.00 46.44 O +ATOM 1350 CG2 THR A 118 173.542 199.275 196.014 1.00 49.74 C +ATOM 1351 H THR A 118 172.916 196.726 194.830 1.00 48.17 H +ATOM 1352 HA THR A 118 171.095 198.475 195.518 1.00 52.53 H +ATOM 1353 HB THR A 118 172.507 200.079 194.443 1.00 53.07 H +ATOM 1354 HG1 THR A 118 174.033 197.981 193.855 1.00 55.73 H +ATOM 1355 HG21 THR A 118 174.292 199.888 195.954 1.00 59.69 H +ATOM 1356 HG22 THR A 118 172.929 199.593 196.696 1.00 59.69 H +ATOM 1357 HG23 THR A 118 173.870 198.399 196.269 1.00 59.69 H +ATOM 1358 N SER A 119 171.194 197.797 192.392 1.00 41.83 N +ATOM 1359 CA SER A 119 170.491 197.975 191.125 1.00 46.45 C +ATOM 1360 C SER A 119 169.088 197.365 191.165 1.00 47.15 C +ATOM 1361 O SER A 119 168.120 198.001 190.751 1.00 43.51 O +ATOM 1362 CB SER A 119 171.297 197.369 189.970 1.00 41.60 C +ATOM 1363 OG SER A 119 171.302 195.954 190.018 1.00 42.39 O +ATOM 1364 H SER A 119 171.882 197.284 192.346 1.00 50.20 H +ATOM 1365 HA SER A 119 170.395 198.924 190.952 1.00 55.73 H +ATOM 1366 HB2 SER A 119 170.902 197.652 189.131 1.00 49.92 H +ATOM 1367 HB3 SER A 119 172.212 197.687 190.027 1.00 49.92 H +ATOM 1368 HG SER A 119 171.645 195.692 190.739 1.00 50.87 H +ATOM 1369 N ARG A 120 168.974 196.141 191.670 1.00 44.62 N +ATOM 1370 CA ARG A 120 167.678 195.467 191.729 1.00 52.87 C +ATOM 1371 C ARG A 120 166.743 196.125 192.747 1.00 53.50 C +ATOM 1372 O ARG A 120 165.523 196.068 192.599 1.00 54.32 O +ATOM 1373 CB ARG A 120 167.850 193.985 192.074 1.00 44.43 C +ATOM 1374 CG ARG A 120 168.817 193.222 191.177 1.00 56.06 C +ATOM 1375 CD ARG A 120 168.119 192.397 190.105 1.00 63.61 C +ATOM 1376 NE ARG A 120 169.057 191.476 189.465 1.00 82.60 N +ATOM 1377 CZ ARG A 120 168.734 190.601 188.518 1.00 66.35 C +ATOM 1378 NH1 ARG A 120 167.486 190.512 188.080 1.00 61.03 N +ATOM 1379 NH2 ARG A 120 169.668 189.809 188.007 1.00 72.16 N +ATOM 1380 H ARG A 120 169.628 195.679 191.983 1.00 53.55 H +ATOM 1381 HA ARG A 120 167.256 195.523 190.857 1.00 63.44 H +ATOM 1382 HB2 ARG A 120 168.178 193.916 192.984 1.00 53.32 H +ATOM 1383 HB3 ARG A 120 166.985 193.551 192.008 1.00 53.32 H +ATOM 1384 HG2 ARG A 120 169.401 193.856 190.733 1.00 67.28 H +ATOM 1385 HG3 ARG A 120 169.342 192.617 191.724 1.00 67.28 H +ATOM 1386 HD2 ARG A 120 167.408 191.877 190.511 1.00 76.33 H +ATOM 1387 HD3 ARG A 120 167.760 192.990 189.426 1.00 76.33 H +ATOM 1388 HE ARG A 120 169.878 191.503 189.719 1.00 99.12 H +ATOM 1389 HH11 ARG A 120 166.877 191.023 188.410 1.00 73.24 H +ATOM 1390 HH12 ARG A 120 167.284 189.944 187.467 1.00 73.24 H +ATOM 1391 HH21 ARG A 120 170.479 189.864 188.288 1.00 86.59 H +ATOM 1392 HH22 ARG A 120 169.462 189.243 187.394 1.00 86.59 H +ATOM 1393 N SER A 121 167.311 196.754 193.772 1.00 54.63 N +ATOM 1394 CA SER A 121 166.512 197.321 194.859 1.00 56.79 C +ATOM 1395 C SER A 121 165.853 198.647 194.484 1.00 58.03 C +ATOM 1396 O SER A 121 164.794 198.985 195.010 1.00 54.36 O +ATOM 1397 CB SER A 121 167.372 197.514 196.107 1.00 49.95 C +ATOM 1398 OG SER A 121 167.834 196.269 196.598 1.00 49.65 O +ATOM 1399 H SER A 121 168.158 196.867 193.864 1.00 65.55 H +ATOM 1400 HA SER A 121 165.805 196.695 195.083 1.00 68.15 H +ATOM 1401 HB2 SER A 121 168.137 198.067 195.881 1.00 59.94 H +ATOM 1402 HB3 SER A 121 166.841 197.947 196.794 1.00 59.94 H +ATOM 1403 HG SER A 121 168.296 195.883 196.012 1.00 59.58 H +ATOM 1404 N HIS A 122 166.478 199.392 193.576 1.00 57.08 N +ATOM 1405 CA HIS A 122 165.929 200.663 193.106 1.00 57.40 C +ATOM 1406 C HIS A 122 164.562 200.492 192.441 1.00 55.20 C +ATOM 1407 O HIS A 122 163.848 201.470 192.222 1.00 48.45 O +ATOM 1408 CB HIS A 122 166.893 201.331 192.121 1.00 60.51 C +ATOM 1409 CG HIS A 122 168.095 201.949 192.767 1.00 69.87 C +ATOM 1410 ND1 HIS A 122 168.053 202.535 194.014 1.00 76.52 N +ATOM 1411 CD2 HIS A 122 169.372 202.077 192.335 1.00 72.28 C +ATOM 1412 CE1 HIS A 122 169.252 202.995 194.323 1.00 72.32 C +ATOM 1413 NE2 HIS A 122 170.071 202.729 193.322 1.00 72.90 N +ATOM 1414 H HIS A 122 167.229 199.182 193.213 1.00 68.50 H +ATOM 1415 HA HIS A 122 165.819 201.257 193.865 1.00 68.88 H +ATOM 1416 HB2 HIS A 122 167.207 200.663 191.491 1.00 72.61 H +ATOM 1417 HB3 HIS A 122 166.419 202.031 191.647 1.00 72.61 H +ATOM 1418 HD2 HIS A 122 169.713 201.778 191.523 1.00 86.73 H +ATOM 1419 HE1 HIS A 122 169.481 203.431 195.112 1.00 86.78 H +ATOM 1420 HE2 HIS A 122 170.906 202.932 193.292 1.00 87.48 H +ATOM 1421 N LEU A 123 164.205 199.252 192.117 1.00 48.91 N +ATOM 1422 CA LEU A 123 162.946 198.966 191.437 1.00 40.45 C +ATOM 1423 C LEU A 123 161.775 198.808 192.406 1.00 36.10 C +ATOM 1424 O LEU A 123 160.627 198.704 191.977 1.00 38.81 O +ATOM 1425 CB LEU A 123 163.086 197.703 190.586 1.00 47.37 C +ATOM 1426 CG LEU A 123 163.911 197.849 189.304 1.00 42.37 C +ATOM 1427 CD1 LEU A 123 164.207 196.489 188.708 1.00 38.37 C +ATOM 1428 CD2 LEU A 123 163.187 198.723 188.294 1.00 53.55 C +ATOM 1429 H LEU A 123 164.680 198.554 192.281 1.00 58.69 H +ATOM 1430 HA LEU A 123 162.739 199.703 190.842 1.00 48.54 H +ATOM 1431 HB2 LEU A 123 163.508 197.017 191.125 1.00 56.85 H +ATOM 1432 HB3 LEU A 123 162.198 197.410 190.327 1.00 56.85 H +ATOM 1433 HG LEU A 123 164.756 198.274 189.519 1.00 50.85 H +ATOM 1434 HD11 LEU A 123 164.729 196.607 187.899 1.00 46.04 H +ATOM 1435 HD12 LEU A 123 164.708 195.965 189.352 1.00 46.04 H +ATOM 1436 HD13 LEU A 123 163.370 196.047 188.500 1.00 46.04 H +ATOM 1437 HD21 LEU A 123 163.732 198.798 187.495 1.00 64.26 H +ATOM 1438 HD22 LEU A 123 162.335 198.315 188.077 1.00 64.26 H +ATOM 1439 HD23 LEU A 123 163.045 199.601 188.681 1.00 64.26 H +ATOM 1440 N ILE A 124 162.064 198.786 193.703 1.00 41.08 N +ATOM 1441 CA ILE A 124 161.021 198.709 194.723 1.00 35.51 C +ATOM 1442 C ILE A 124 160.879 200.033 195.454 1.00 30.07 C +ATOM 1443 O ILE A 124 161.866 200.623 195.890 1.00 30.98 O +ATOM 1444 CB ILE A 124 161.308 197.605 195.757 1.00 27.73 C +ATOM 1445 CG1 ILE A 124 161.536 196.260 195.060 1.00 30.32 C +ATOM 1446 CG2 ILE A 124 160.163 197.499 196.758 1.00 35.81 C +ATOM 1447 CD1 ILE A 124 160.407 195.834 194.142 1.00 29.92 C +ATOM 1448 H ILE A 124 162.862 198.814 194.022 1.00 49.30 H +ATOM 1449 HA ILE A 124 160.173 198.509 194.295 1.00 42.61 H +ATOM 1450 HB ILE A 124 162.116 197.840 196.240 1.00 33.27 H +ATOM 1451 HG12 ILE A 124 162.344 196.319 194.527 1.00 36.39 H +ATOM 1452 HG13 ILE A 124 161.640 195.573 195.737 1.00 36.39 H +ATOM 1453 HG21 ILE A 124 160.366 196.799 197.398 1.00 42.97 H +ATOM 1454 HG22 ILE A 124 160.066 198.349 197.217 1.00 42.97 H +ATOM 1455 HG23 ILE A 124 159.346 197.285 196.282 1.00 42.97 H +ATOM 1456 HD11 ILE A 124 160.630 194.978 193.744 1.00 35.90 H +ATOM 1457 HD12 ILE A 124 159.591 195.756 194.661 1.00 35.90 H +ATOM 1458 HD13 ILE A 124 160.296 196.503 193.448 1.00 35.90 H +ATOM 1459 N ASP A 125 159.641 200.496 195.587 1.00 29.40 N +ATOM 1460 CA ASP A 125 159.359 201.673 196.392 1.00 32.92 C +ATOM 1461 C ASP A 125 159.410 201.298 197.867 1.00 35.07 C +ATOM 1462 O ASP A 125 158.715 200.386 198.310 1.00 32.42 O +ATOM 1463 CB ASP A 125 157.994 202.269 196.034 1.00 44.86 C +ATOM 1464 CG ASP A 125 157.982 202.940 194.667 1.00 53.41 C +ATOM 1465 OD1 ASP A 125 159.058 203.373 194.197 1.00 44.31 O +ATOM 1466 OD2 ASP A 125 156.893 203.039 194.065 1.00 65.70 O +ATOM 1467 H ASP A 125 158.948 200.144 195.219 1.00 35.28 H +ATOM 1468 HA ASP A 125 160.038 202.345 196.225 1.00 39.51 H +ATOM 1469 HB2 ASP A 125 157.332 201.560 196.025 1.00 53.83 H +ATOM 1470 HB3 ASP A 125 157.757 202.936 196.697 1.00 53.83 H +ATOM 1471 N SER A 126 160.246 202.008 198.614 1.00 29.79 N +ATOM 1472 CA SER A 126 160.407 201.776 200.040 1.00 25.94 C +ATOM 1473 C SER A 126 160.717 203.101 200.739 1.00 27.30 C +ATOM 1474 O SER A 126 161.754 203.705 200.476 1.00 31.46 O +ATOM 1475 CB SER A 126 161.517 200.758 200.295 1.00 29.20 C +ATOM 1476 OG SER A 126 161.684 200.528 201.682 1.00 32.14 O +ATOM 1477 H SER A 126 160.740 202.643 198.310 1.00 35.75 H +ATOM 1478 HA SER A 126 159.580 201.424 200.404 1.00 31.12 H +ATOM 1479 HB2 SER A 126 161.283 199.922 199.862 1.00 35.04 H +ATOM 1480 HB3 SER A 126 162.348 201.100 199.930 1.00 35.04 H +ATOM 1481 HG SER A 126 160.971 200.231 202.012 1.00 38.57 H +ATOM 1482 N PRO A 127 159.829 203.573 201.629 1.00 27.76 N +ATOM 1483 CA PRO A 127 158.563 203.000 202.110 1.00 29.93 C +ATOM 1484 C PRO A 127 157.569 202.686 200.992 1.00 29.32 C +ATOM 1485 O PRO A 127 157.637 203.295 199.923 1.00 29.03 O +ATOM 1486 CB PRO A 127 158.004 204.096 203.021 1.00 31.95 C +ATOM 1487 CG PRO A 127 159.180 204.885 203.444 1.00 31.72 C +ATOM 1488 CD PRO A 127 160.129 204.856 202.289 1.00 32.02 C +ATOM 1489 HA PRO A 127 158.729 202.199 202.631 1.00 35.91 H +ATOM 1490 HB2 PRO A 127 157.381 204.648 202.523 1.00 38.34 H +ATOM 1491 HB3 PRO A 127 157.568 203.692 203.787 1.00 38.34 H +ATOM 1492 HG2 PRO A 127 158.907 205.796 203.638 1.00 38.06 H +ATOM 1493 HG3 PRO A 127 159.582 204.475 204.226 1.00 38.06 H +ATOM 1494 HD2 PRO A 127 159.950 205.596 201.687 1.00 38.43 H +ATOM 1495 HD3 PRO A 127 161.046 204.868 202.605 1.00 38.43 H +ATOM 1496 N PRO A 128 156.651 201.741 201.241 1.00 29.76 N +ATOM 1497 CA PRO A 128 155.720 201.267 200.214 1.00 29.47 C +ATOM 1498 C PRO A 128 154.667 202.309 199.851 1.00 28.02 C +ATOM 1499 O PRO A 128 154.544 203.326 200.533 1.00 20.99 O +ATOM 1500 CB PRO A 128 155.084 200.041 200.869 1.00 24.50 C +ATOM 1501 CG PRO A 128 155.111 200.349 202.317 1.00 28.58 C +ATOM 1502 CD PRO A 128 156.375 201.130 202.553 1.00 26.11 C +ATOM 1503 HA PRO A 128 156.201 200.997 199.416 1.00 35.37 H +ATOM 1504 HB2 PRO A 128 154.173 199.935 200.555 1.00 29.40 H +ATOM 1505 HB3 PRO A 128 155.613 199.252 200.673 1.00 29.40 H +ATOM 1506 HG2 PRO A 128 154.334 200.881 202.550 1.00 34.30 H +ATOM 1507 HG3 PRO A 128 155.123 199.523 202.824 1.00 34.30 H +ATOM 1508 HD2 PRO A 128 156.228 201.818 203.221 1.00 31.33 H +ATOM 1509 HD3 PRO A 128 157.097 200.535 202.807 1.00 31.33 H +ATOM 1510 N THR A 129 153.913 202.048 198.788 1.00 30.20 N +ATOM 1511 CA THR A 129 152.947 203.012 198.276 1.00 30.91 C +ATOM 1512 C THR A 129 151.533 202.433 198.196 1.00 28.26 C +ATOM 1513 O THR A 129 150.750 202.571 199.133 1.00 25.94 O +ATOM 1514 CB THR A 129 153.374 203.521 196.889 1.00 28.28 C +ATOM 1515 OG1 THR A 129 153.538 202.412 195.999 1.00 33.19 O +ATOM 1516 CG2 THR A 129 154.692 204.275 196.986 1.00 30.60 C +ATOM 1517 H THR A 129 153.943 201.314 198.341 1.00 36.24 H +ATOM 1518 HA THR A 129 152.921 203.774 198.876 1.00 37.10 H +ATOM 1519 HB THR A 129 152.697 204.122 196.539 1.00 33.93 H +ATOM 1520 HG1 THR A 129 153.771 202.686 195.239 1.00 39.83 H +ATOM 1521 HG21 THR A 129 154.957 204.594 196.109 1.00 36.72 H +ATOM 1522 HG22 THR A 129 154.596 205.034 197.582 1.00 36.72 H +ATOM 1523 HG23 THR A 129 155.384 203.689 197.330 1.00 36.72 H +ATOM 1524 N TYR A 130 151.213 201.779 197.086 1.00 30.12 N +ATOM 1525 CA TYR A 130 149.842 201.368 196.813 1.00 32.31 C +ATOM 1526 C TYR A 130 149.460 200.041 197.460 1.00 29.98 C +ATOM 1527 O TYR A 130 150.322 199.266 197.873 1.00 30.25 O +ATOM 1528 CB TYR A 130 149.622 201.265 195.302 1.00 32.40 C +ATOM 1529 CG TYR A 130 150.115 202.465 194.528 1.00 33.08 C +ATOM 1530 CD1 TYR A 130 149.495 203.701 194.652 1.00 38.28 C +ATOM 1531 CD2 TYR A 130 151.197 202.360 193.664 1.00 30.75 C +ATOM 1532 CE1 TYR A 130 149.944 204.799 193.945 1.00 42.04 C +ATOM 1533 CE2 TYR A 130 151.650 203.452 192.952 1.00 38.87 C +ATOM 1534 CZ TYR A 130 151.021 204.668 193.097 1.00 48.87 C +ATOM 1535 OH TYR A 130 151.468 205.757 192.392 1.00 50.60 O +ATOM 1536 H TYR A 130 151.774 201.561 196.472 1.00 36.14 H +ATOM 1537 HA TYR A 130 149.239 202.047 197.154 1.00 38.77 H +ATOM 1538 HB2 TYR A 130 150.093 200.485 194.970 1.00 38.88 H +ATOM 1539 HB3 TYR A 130 148.671 201.173 195.130 1.00 38.88 H +ATOM 1540 HD1 TYR A 130 148.768 203.793 195.226 1.00 45.94 H +ATOM 1541 HD2 TYR A 130 151.625 201.540 193.565 1.00 36.90 H +ATOM 1542 HE1 TYR A 130 149.520 205.621 194.040 1.00 50.45 H +ATOM 1543 HE2 TYR A 130 152.377 203.368 192.379 1.00 46.64 H +ATOM 1544 HH TYR A 130 152.126 205.541 191.916 1.00 60.72 H +ATOM 1545 N ASN A 131 148.154 199.807 197.559 1.00 31.89 N +ATOM 1546 CA ASN A 131 147.622 198.486 197.882 1.00 31.87 C +ATOM 1547 C ASN A 131 146.334 198.245 197.097 1.00 30.36 C +ATOM 1548 O ASN A 131 145.968 199.050 196.241 1.00 30.98 O +ATOM 1549 CB ASN A 131 147.395 198.326 199.396 1.00 30.00 C +ATOM 1550 CG ASN A 131 146.320 199.253 199.954 1.00 37.32 C +ATOM 1551 OD1 ASN A 131 145.431 199.720 199.242 1.00 43.19 O +ATOM 1552 ND2 ASN A 131 146.397 199.511 201.254 1.00 27.52 N +ATOM 1553 H ASN A 131 147.547 200.405 197.441 1.00 38.27 H +ATOM 1554 HA ASN A 131 148.267 197.815 197.607 1.00 38.24 H +ATOM 1555 HB2 ASN A 131 147.123 197.412 199.577 1.00 36.00 H +ATOM 1556 HB3 ASN A 131 148.225 198.520 199.860 1.00 36.00 H +ATOM 1557 HD21 ASN A 131 145.818 200.027 201.626 1.00 33.03 H +ATOM 1558 HD22 ASN A 131 147.026 199.161 201.725 1.00 33.03 H +ATOM 1559 N ALA A 132 145.650 197.144 197.390 1.00 28.95 N +ATOM 1560 CA ALA A 132 144.476 196.736 196.622 1.00 35.08 C +ATOM 1561 C ALA A 132 143.390 197.808 196.577 1.00 32.93 C +ATOM 1562 O ALA A 132 142.660 197.913 195.594 1.00 40.52 O +ATOM 1563 CB ALA A 132 143.904 195.450 197.194 1.00 35.53 C +ATOM 1564 H ALA A 132 145.846 196.611 198.036 1.00 34.74 H +ATOM 1565 HA ALA A 132 144.750 196.556 195.709 1.00 42.10 H +ATOM 1566 HB1 ALA A 132 143.127 195.192 196.674 1.00 42.63 H +ATOM 1567 HB2 ALA A 132 144.580 194.755 197.146 1.00 42.63 H +ATOM 1568 HB3 ALA A 132 143.650 195.601 198.118 1.00 42.63 H +ATOM 1569 N ASP A 133 143.295 198.606 197.634 1.00 37.96 N +ATOM 1570 CA ASP A 133 142.208 199.571 197.774 1.00 33.20 C +ATOM 1571 C ASP A 133 142.598 200.998 197.399 1.00 33.79 C +ATOM 1572 O ASP A 133 141.746 201.882 197.381 1.00 38.42 O +ATOM 1573 CB ASP A 133 141.683 199.559 199.213 1.00 33.87 C +ATOM 1574 CG ASP A 133 140.859 198.322 199.526 1.00 33.86 C +ATOM 1575 OD1 ASP A 133 140.187 197.803 198.613 1.00 46.57 O +ATOM 1576 OD2 ASP A 133 140.879 197.869 200.688 1.00 33.74 O +ATOM 1577 H ASP A 133 143.851 198.608 198.289 1.00 45.56 H +ATOM 1578 HA ASP A 133 141.479 199.303 197.193 1.00 39.84 H +ATOM 1579 HB2 ASP A 133 142.436 199.580 199.824 1.00 40.65 H +ATOM 1580 HB3 ASP A 133 141.121 200.337 199.351 1.00 40.65 H +ATOM 1581 N TYR A 134 143.873 201.226 197.098 1.00 29.94 N +ATOM 1582 CA TYR A 134 144.357 202.576 196.824 1.00 27.42 C +ATOM 1583 C TYR A 134 145.324 202.626 195.649 1.00 34.37 C +ATOM 1584 O TYR A 134 146.455 202.153 195.739 1.00 36.25 O +ATOM 1585 CB TYR A 134 145.022 203.159 198.074 1.00 31.25 C +ATOM 1586 CG TYR A 134 144.044 203.431 199.192 1.00 32.57 C +ATOM 1587 CD1 TYR A 134 143.387 204.651 199.282 1.00 32.01 C +ATOM 1588 CD2 TYR A 134 143.764 202.467 200.150 1.00 30.97 C +ATOM 1589 CE1 TYR A 134 142.486 204.905 200.300 1.00 31.39 C +ATOM 1590 CE2 TYR A 134 142.862 202.710 201.169 1.00 31.09 C +ATOM 1591 CZ TYR A 134 142.226 203.932 201.239 1.00 31.53 C +ATOM 1592 OH TYR A 134 141.328 204.180 202.253 1.00 30.20 O +ATOM 1593 H TYR A 134 144.478 200.617 197.047 1.00 35.92 H +ATOM 1594 HA TYR A 134 143.598 203.139 196.604 1.00 32.91 H +ATOM 1595 HB2 TYR A 134 145.682 202.529 198.401 1.00 37.50 H +ATOM 1596 HB3 TYR A 134 145.451 203.997 197.841 1.00 37.50 H +ATOM 1597 HD1 TYR A 134 143.559 205.310 198.649 1.00 38.42 H +ATOM 1598 HD2 TYR A 134 144.190 201.641 200.105 1.00 37.16 H +ATOM 1599 HE1 TYR A 134 142.055 205.728 200.348 1.00 37.67 H +ATOM 1600 HE2 TYR A 134 142.687 202.054 201.804 1.00 37.30 H +ATOM 1601 HH TYR A 134 141.016 204.957 202.177 1.00 36.24 H +ATOM 1602 N GLY A 135 144.858 203.203 194.545 1.00 32.20 N +ATOM 1603 CA GLY A 135 145.688 203.433 193.377 1.00 28.28 C +ATOM 1604 C GLY A 135 146.273 204.833 193.382 1.00 29.24 C +ATOM 1605 O GLY A 135 146.817 205.295 192.382 1.00 32.33 O +ATOM 1606 H GLY A 135 144.048 203.475 194.450 1.00 38.64 H +ATOM 1607 HA2 GLY A 135 146.416 202.792 193.363 1.00 33.94 H +ATOM 1608 HA3 GLY A 135 145.158 203.320 192.573 1.00 33.94 H +ATOM 1609 N TYR A 136 146.137 205.515 194.514 1.00 30.24 N +ATOM 1610 CA TYR A 136 146.811 206.785 194.752 1.00 36.91 C +ATOM 1611 C TYR A 136 147.469 206.720 196.123 1.00 30.09 C +ATOM 1612 O TYR A 136 147.023 205.971 196.990 1.00 31.94 O +ATOM 1613 CB TYR A 136 145.832 207.958 194.676 1.00 27.63 C +ATOM 1614 CG TYR A 136 144.658 207.836 195.623 1.00 31.93 C +ATOM 1615 CD1 TYR A 136 143.498 207.178 195.239 1.00 29.79 C +ATOM 1616 CD2 TYR A 136 144.710 208.376 196.902 1.00 28.75 C +ATOM 1617 CE1 TYR A 136 142.428 207.062 196.097 1.00 28.38 C +ATOM 1618 CE2 TYR A 136 143.641 208.262 197.766 1.00 31.64 C +ATOM 1619 CZ TYR A 136 142.503 207.605 197.358 1.00 27.58 C +ATOM 1620 OH TYR A 136 141.436 207.490 198.212 1.00 33.56 O +ATOM 1621 H TYR A 136 145.648 205.257 195.173 1.00 36.29 H +ATOM 1622 HA TYR A 136 147.502 206.916 194.084 1.00 44.30 H +ATOM 1623 HB2 TYR A 136 146.306 208.775 194.896 1.00 33.16 H +ATOM 1624 HB3 TYR A 136 145.481 208.014 193.774 1.00 33.16 H +ATOM 1625 HD1 TYR A 136 143.443 206.809 194.387 1.00 35.75 H +ATOM 1626 HD2 TYR A 136 145.478 208.820 197.180 1.00 34.50 H +ATOM 1627 HE1 TYR A 136 141.657 206.619 195.825 1.00 34.06 H +ATOM 1628 HE2 TYR A 136 143.688 208.629 198.619 1.00 37.97 H +ATOM 1629 HH TYR A 136 140.812 207.070 197.837 1.00 40.28 H +ATOM 1630 N LYS A 137 148.534 207.488 196.316 1.00 37.46 N +ATOM 1631 CA LYS A 137 149.219 207.505 197.603 1.00 36.60 C +ATOM 1632 C LYS A 137 148.292 208.030 198.688 1.00 28.07 C +ATOM 1633 O LYS A 137 147.644 209.061 198.520 1.00 28.46 O +ATOM 1634 CB LYS A 137 150.490 208.356 197.544 1.00 36.77 C +ATOM 1635 CG LYS A 137 151.711 207.632 196.999 1.00 43.54 C +ATOM 1636 CD LYS A 137 151.951 207.967 195.551 1.00 58.30 C +ATOM 1637 CE LYS A 137 153.242 207.359 195.044 1.00 40.03 C +ATOM 1638 NZ LYS A 137 153.325 207.488 193.563 1.00 54.32 N +ATOM 1639 H LYS A 137 148.879 208.006 195.722 1.00 44.95 H +ATOM 1640 HA LYS A 137 149.474 206.599 197.838 1.00 43.92 H +ATOM 1641 HB2 LYS A 137 150.324 209.123 196.973 1.00 44.12 H +ATOM 1642 HB3 LYS A 137 150.703 208.658 198.441 1.00 44.12 H +ATOM 1643 HG2 LYS A 137 152.493 207.898 197.507 1.00 52.25 H +ATOM 1644 HG3 LYS A 137 151.573 206.674 197.071 1.00 52.25 H +ATOM 1645 HD2 LYS A 137 151.221 207.617 195.017 1.00 69.96 H +ATOM 1646 HD3 LYS A 137 152.009 208.930 195.451 1.00 69.96 H +ATOM 1647 HE2 LYS A 137 153.996 207.826 195.437 1.00 48.03 H +ATOM 1648 HE3 LYS A 137 153.269 206.417 195.273 1.00 48.03 H +ATOM 1649 HZ1 LYS A 137 154.085 207.130 193.269 1.00 65.19 H +ATOM 1650 HZ2 LYS A 137 152.640 207.067 193.183 1.00 65.19 H +ATOM 1651 HZ3 LYS A 137 153.301 208.347 193.331 1.00 65.19 H +ATOM 1652 N SER A 138 148.226 207.299 199.794 1.00 29.06 N +ATOM 1653 CA SER A 138 147.427 207.699 200.943 1.00 25.11 C +ATOM 1654 C SER A 138 148.057 207.165 202.217 1.00 33.99 C +ATOM 1655 O SER A 138 148.826 206.203 202.185 1.00 27.09 O +ATOM 1656 CB SER A 138 145.995 207.188 200.816 1.00 28.48 C +ATOM 1657 OG SER A 138 145.953 205.777 200.915 1.00 34.42 O +ATOM 1658 H SER A 138 148.642 206.554 199.904 1.00 34.87 H +ATOM 1659 HA SER A 138 147.403 208.667 200.997 1.00 30.13 H +ATOM 1660 HB2 SER A 138 145.459 207.571 201.529 1.00 34.17 H +ATOM 1661 HB3 SER A 138 145.639 207.455 199.954 1.00 34.17 H +ATOM 1662 HG SER A 138 145.161 205.507 200.844 1.00 41.31 H +ATOM 1663 N TRP A 139 147.723 207.786 203.341 1.00 31.94 N +ATOM 1664 CA TRP A 139 148.249 207.343 204.617 1.00 23.77 C +ATOM 1665 C TRP A 139 147.657 206.002 205.024 1.00 26.45 C +ATOM 1666 O TRP A 139 148.293 205.234 205.741 1.00 28.70 O +ATOM 1667 CB TRP A 139 147.979 208.369 205.708 1.00 26.50 C +ATOM 1668 CG TRP A 139 148.799 208.087 206.906 1.00 28.62 C +ATOM 1669 CD1 TRP A 139 148.414 207.418 208.030 1.00 29.89 C +ATOM 1670 CD2 TRP A 139 150.172 208.430 207.091 1.00 35.26 C +ATOM 1671 NE1 TRP A 139 149.462 207.337 208.912 1.00 30.35 N +ATOM 1672 CE2 TRP A 139 150.554 207.952 208.357 1.00 32.06 C +ATOM 1673 CE3 TRP A 139 151.113 209.105 206.311 1.00 34.73 C +ATOM 1674 CZ2 TRP A 139 151.837 208.126 208.861 1.00 38.79 C +ATOM 1675 CZ3 TRP A 139 152.382 209.281 206.815 1.00 36.65 C +ATOM 1676 CH2 TRP A 139 152.735 208.792 208.077 1.00 32.80 C +ATOM 1677 H TRP A 139 147.196 208.464 203.389 1.00 38.33 H +ATOM 1678 HA TRP A 139 149.210 207.235 204.541 1.00 28.53 H +ATOM 1679 HB2 TRP A 139 148.206 209.254 205.383 1.00 31.81 H +ATOM 1680 HB3 TRP A 139 147.043 208.331 205.962 1.00 31.81 H +ATOM 1681 HD1 TRP A 139 147.565 207.069 208.178 1.00 35.86 H +ATOM 1682 HE1 TRP A 139 149.438 206.961 209.685 1.00 36.42 H +ATOM 1683 HE3 TRP A 139 150.887 209.433 205.471 1.00 41.67 H +ATOM 1684 HZ2 TRP A 139 152.073 207.806 209.702 1.00 46.55 H +ATOM 1685 HZ3 TRP A 139 153.018 209.727 206.304 1.00 43.98 H +ATOM 1686 HH2 TRP A 139 153.601 208.925 208.390 1.00 39.36 H +ATOM 1687 N GLU A 140 146.438 205.727 204.575 1.00 31.54 N +ATOM 1688 CA GLU A 140 145.807 204.444 204.851 1.00 30.62 C +ATOM 1689 C GLU A 140 146.623 203.324 204.216 1.00 26.19 C +ATOM 1690 O GLU A 140 146.873 202.295 204.839 1.00 25.53 O +ATOM 1691 CB GLU A 140 144.368 204.417 204.327 1.00 28.24 C +ATOM 1692 CG GLU A 140 143.640 203.102 204.576 1.00 28.31 C +ATOM 1693 CD GLU A 140 143.500 202.772 206.051 1.00 37.50 C +ATOM 1694 OE1 GLU A 140 143.480 203.708 206.879 1.00 35.53 O +ATOM 1695 OE2 GLU A 140 143.412 201.573 206.384 1.00 27.86 O +ATOM 1696 H GLU A 140 145.956 206.266 204.109 1.00 37.85 H +ATOM 1697 HA GLU A 140 145.785 204.298 205.809 1.00 36.75 H +ATOM 1698 HB2 GLU A 140 143.864 205.121 204.765 1.00 33.89 H +ATOM 1699 HB3 GLU A 140 144.382 204.571 203.369 1.00 33.89 H +ATOM 1700 HG2 GLU A 140 142.749 203.158 204.197 1.00 33.97 H +ATOM 1701 HG3 GLU A 140 144.135 202.382 204.154 1.00 33.97 H +ATOM 1702 N ALA A 141 147.042 203.536 202.974 1.00 23.57 N +ATOM 1703 CA ALA A 141 147.796 202.530 202.240 1.00 28.79 C +ATOM 1704 C ALA A 141 149.188 202.337 202.835 1.00 33.45 C +ATOM 1705 O ALA A 141 149.687 201.214 202.912 1.00 27.72 O +ATOM 1706 CB ALA A 141 147.897 202.912 200.776 1.00 29.13 C +ATOM 1707 H ALA A 141 146.902 204.260 202.531 1.00 28.28 H +ATOM 1708 HA ALA A 141 147.328 201.683 202.297 1.00 34.54 H +ATOM 1709 HB1 ALA A 141 148.402 202.230 200.307 1.00 34.96 H +ATOM 1710 HB2 ALA A 141 147.003 202.977 200.405 1.00 34.96 H +ATOM 1711 HB3 ALA A 141 148.348 203.768 200.704 1.00 34.96 H +ATOM 1712 N PHE A 142 149.815 203.429 203.259 1.00 23.64 N +ATOM 1713 CA PHE A 142 151.142 203.339 203.849 1.00 26.07 C +ATOM 1714 C PHE A 142 151.129 202.658 205.214 1.00 29.19 C +ATOM 1715 O PHE A 142 151.933 201.763 205.473 1.00 24.75 O +ATOM 1716 CB PHE A 142 151.779 204.718 204.010 1.00 21.06 C +ATOM 1717 CG PHE A 142 152.899 204.729 205.005 1.00 22.72 C +ATOM 1718 CD1 PHE A 142 154.118 204.154 204.696 1.00 26.56 C +ATOM 1719 CD2 PHE A 142 152.720 205.268 206.266 1.00 22.45 C +ATOM 1720 CE1 PHE A 142 155.146 204.137 205.619 1.00 20.11 C +ATOM 1721 CE2 PHE A 142 153.744 205.253 207.191 1.00 25.24 C +ATOM 1722 CZ PHE A 142 154.957 204.687 206.867 1.00 22.94 C +ATOM 1723 H PHE A 142 149.497 204.227 203.216 1.00 28.36 H +ATOM 1724 HA PHE A 142 151.710 202.816 203.262 1.00 31.28 H +ATOM 1725 HB2 PHE A 142 152.136 205.002 203.154 1.00 25.27 H +ATOM 1726 HB3 PHE A 142 151.103 205.344 204.312 1.00 25.27 H +ATOM 1727 HD1 PHE A 142 154.250 203.779 203.855 1.00 31.87 H +ATOM 1728 HD2 PHE A 142 151.902 205.650 206.492 1.00 26.94 H +ATOM 1729 HE1 PHE A 142 155.965 203.756 205.397 1.00 24.13 H +ATOM 1730 HE2 PHE A 142 153.615 205.627 208.033 1.00 30.29 H +ATOM 1731 HZ PHE A 142 155.649 204.682 207.488 1.00 27.53 H +ATOM 1732 N SER A 143 150.216 203.089 206.079 1.00 22.74 N +ATOM 1733 CA SER A 143 150.287 202.769 207.501 1.00 28.34 C +ATOM 1734 C SER A 143 149.664 201.424 207.873 1.00 25.41 C +ATOM 1735 O SER A 143 150.054 200.809 208.863 1.00 32.18 O +ATOM 1736 CB SER A 143 149.609 203.878 208.312 1.00 27.32 C +ATOM 1737 OG SER A 143 148.212 203.899 208.085 1.00 29.99 O +ATOM 1738 H SER A 143 149.539 203.574 205.864 1.00 27.29 H +ATOM 1739 HA SER A 143 151.220 202.742 207.765 1.00 34.01 H +ATOM 1740 HB2 SER A 143 149.772 203.723 209.255 1.00 32.79 H +ATOM 1741 HB3 SER A 143 149.983 204.734 208.049 1.00 32.79 H +ATOM 1742 HG SER A 143 148.055 204.035 207.271 1.00 35.98 H +ATOM 1743 N ASN A 144 148.697 200.969 207.087 1.00 28.32 N +ATOM 1744 CA ASN A 144 147.945 199.767 207.429 1.00 30.00 C +ATOM 1745 C ASN A 144 148.704 198.504 207.026 1.00 26.42 C +ATOM 1746 O ASN A 144 148.712 198.117 205.858 1.00 23.22 O +ATOM 1747 CB ASN A 144 146.569 199.813 206.764 1.00 29.32 C +ATOM 1748 CG ASN A 144 145.613 198.763 207.302 1.00 27.76 C +ATOM 1749 OD1 ASN A 144 146.010 197.666 207.681 1.00 23.20 O +ATOM 1750 ND2 ASN A 144 144.334 199.104 207.331 1.00 35.21 N +ATOM 1751 H ASN A 144 148.454 201.338 206.349 1.00 33.98 H +ATOM 1752 HA ASN A 144 147.812 199.742 208.390 1.00 36.00 H +ATOM 1753 HB2 ASN A 144 146.174 200.685 206.919 1.00 35.19 H +ATOM 1754 HB3 ASN A 144 146.675 199.662 205.812 1.00 35.19 H +ATOM 1755 HD21 ASN A 144 144.094 199.879 207.045 1.00 42.25 H +ATOM 1756 N LEU A 145 149.329 197.865 208.010 1.00 27.19 N +ATOM 1757 CA LEU A 145 150.224 196.737 207.769 1.00 25.41 C +ATOM 1758 C LEU A 145 149.485 195.446 207.418 1.00 26.58 C +ATOM 1759 O LEU A 145 150.116 194.430 207.132 1.00 20.42 O +ATOM 1760 CB LEU A 145 151.106 196.494 208.997 1.00 24.27 C +ATOM 1761 CG LEU A 145 151.991 197.657 209.460 1.00 27.74 C +ATOM 1762 CD1 LEU A 145 152.755 197.268 210.713 1.00 30.61 C +ATOM 1763 CD2 LEU A 145 152.953 198.088 208.369 1.00 21.62 C +ATOM 1764 H LEU A 145 149.250 198.070 208.842 1.00 32.63 H +ATOM 1765 HA LEU A 145 150.806 196.955 207.024 1.00 30.49 H +ATOM 1766 HB2 LEU A 145 150.529 196.261 209.741 1.00 29.12 H +ATOM 1767 HB3 LEU A 145 151.694 195.748 208.803 1.00 29.12 H +ATOM 1768 HG LEU A 145 151.427 198.415 209.677 1.00 33.28 H +ATOM 1769 HD11 LEU A 145 153.308 198.016 210.989 1.00 36.73 H +ATOM 1770 HD12 LEU A 145 152.121 197.049 211.413 1.00 36.73 H +ATOM 1771 HD13 LEU A 145 153.312 196.499 210.517 1.00 36.73 H +ATOM 1772 HD21 LEU A 145 153.494 198.823 208.698 1.00 25.94 H +ATOM 1773 HD22 LEU A 145 153.521 197.337 208.135 1.00 25.94 H +ATOM 1774 HD23 LEU A 145 152.443 198.373 207.594 1.00 25.94 H +ATOM 1775 N SER A 146 148.157 195.484 207.436 1.00 23.62 N +ATOM 1776 CA SER A 146 147.364 194.290 207.168 1.00 29.39 C +ATOM 1777 C SER A 146 147.230 194.027 205.674 1.00 26.27 C +ATOM 1778 O SER A 146 146.826 192.941 205.273 1.00 24.54 O +ATOM 1779 CB SER A 146 145.977 194.409 207.798 1.00 27.24 C +ATOM 1780 OG SER A 146 146.070 194.420 209.208 1.00 28.67 O +ATOM 1781 H SER A 146 147.691 196.188 207.601 1.00 28.34 H +ATOM 1782 HA SER A 146 147.807 193.525 207.566 1.00 35.27 H +ATOM 1783 HB2 SER A 146 145.564 195.235 207.502 1.00 32.68 H +ATOM 1784 HB3 SER A 146 145.439 193.650 207.523 1.00 32.68 H +ATOM 1785 HG SER A 146 145.304 194.485 209.546 1.00 34.40 H +ATOM 1786 N TYR A 147 147.569 195.019 204.856 1.00 25.78 N +ATOM 1787 CA TYR A 147 147.558 194.860 203.406 1.00 29.24 C +ATOM 1788 C TYR A 147 148.878 194.324 202.871 1.00 32.19 C +ATOM 1789 O TYR A 147 149.946 194.700 203.352 1.00 27.26 O +ATOM 1790 CB TYR A 147 147.297 196.193 202.704 1.00 33.48 C +ATOM 1791 CG TYR A 147 145.899 196.760 202.778 1.00 40.49 C +ATOM 1792 CD1 TYR A 147 145.527 197.605 203.814 1.00 36.24 C +ATOM 1793 CD2 TYR A 147 144.969 196.505 201.775 1.00 34.44 C +ATOM 1794 CE1 TYR A 147 144.266 198.150 203.868 1.00 37.53 C +ATOM 1795 CE2 TYR A 147 143.703 197.048 201.824 1.00 32.60 C +ATOM 1796 CZ TYR A 147 143.358 197.870 202.872 1.00 38.24 C +ATOM 1797 OH TYR A 147 142.102 198.416 202.931 1.00 39.74 O +ATOM 1798 H TYR A 147 147.811 195.801 205.119 1.00 30.94 H +ATOM 1799 HA TYR A 147 146.854 194.241 203.156 1.00 35.09 H +ATOM 1800 HB2 TYR A 147 147.893 196.855 203.087 1.00 40.18 H +ATOM 1801 HB3 TYR A 147 147.509 196.082 201.763 1.00 40.18 H +ATOM 1802 HD1 TYR A 147 146.138 197.798 204.488 1.00 43.48 H +ATOM 1803 HD2 TYR A 147 145.202 195.950 201.066 1.00 41.33 H +ATOM 1804 HE1 TYR A 147 144.028 198.706 204.574 1.00 45.03 H +ATOM 1805 HE2 TYR A 147 143.086 196.861 201.153 1.00 39.12 H +ATOM 1806 HH TYR A 147 141.650 198.168 202.268 1.00 47.69 H +ATOM 1807 N TYR A 148 148.803 193.464 201.863 1.00 32.07 N +ATOM 1808 CA TYR A 148 149.913 193.322 200.934 1.00 29.65 C +ATOM 1809 C TYR A 148 150.049 194.664 200.225 1.00 28.94 C +ATOM 1810 O TYR A 148 149.040 195.293 199.905 1.00 26.39 O +ATOM 1811 CB TYR A 148 149.672 192.212 199.910 1.00 26.30 C +ATOM 1812 CG TYR A 148 149.755 190.800 200.439 1.00 27.88 C +ATOM 1813 CD1 TYR A 148 150.971 190.246 200.816 1.00 28.10 C +ATOM 1814 CD2 TYR A 148 148.620 190.006 200.522 1.00 28.68 C +ATOM 1815 CE1 TYR A 148 151.048 188.948 201.284 1.00 29.04 C +ATOM 1816 CE2 TYR A 148 148.688 188.711 200.987 1.00 35.89 C +ATOM 1817 CZ TYR A 148 149.903 188.186 201.366 1.00 27.67 C +ATOM 1818 OH TYR A 148 149.969 186.894 201.829 1.00 23.50 O +ATOM 1819 H TYR A 148 148.129 192.957 201.697 1.00 38.48 H +ATOM 1820 HA TYR A 148 150.732 193.135 201.419 1.00 35.59 H +ATOM 1821 HB2 TYR A 148 148.785 192.329 199.535 1.00 31.56 H +ATOM 1822 HB3 TYR A 148 150.333 192.297 199.206 1.00 31.56 H +ATOM 1823 HD1 TYR A 148 151.744 190.760 200.761 1.00 33.72 H +ATOM 1824 HD2 TYR A 148 147.797 190.357 200.267 1.00 34.41 H +ATOM 1825 HE1 TYR A 148 151.868 188.591 201.540 1.00 34.85 H +ATOM 1826 HE2 TYR A 148 147.918 188.194 201.044 1.00 43.07 H +ATOM 1827 HH TYR A 148 149.203 186.549 201.826 1.00 28.19 H +ATOM 1828 N THR A 149 151.275 195.115 199.985 1.00 29.55 N +ATOM 1829 CA THR A 149 151.475 196.350 199.237 1.00 33.48 C +ATOM 1830 C THR A 149 151.442 196.018 197.747 1.00 29.74 C +ATOM 1831 O THR A 149 151.380 194.848 197.374 1.00 25.63 O +ATOM 1832 CB THR A 149 152.799 197.054 199.623 1.00 24.85 C +ATOM 1833 OG1 THR A 149 152.814 198.387 199.094 1.00 32.34 O +ATOM 1834 CG2 THR A 149 154.011 196.280 199.118 1.00 22.86 C +ATOM 1835 H THR A 149 152.000 194.730 200.241 1.00 35.47 H +ATOM 1836 HA THR A 149 150.744 196.958 199.427 1.00 40.18 H +ATOM 1837 HB THR A 149 152.859 197.100 200.590 1.00 29.82 H +ATOM 1838 HG1 THR A 149 152.750 198.365 198.257 1.00 38.81 H +ATOM 1839 HG21 THR A 149 154.827 196.741 199.371 1.00 27.43 H +ATOM 1840 HG22 THR A 149 154.019 195.390 199.502 1.00 27.43 H +ATOM 1841 HG23 THR A 149 153.978 196.206 198.151 1.00 27.43 H +ATOM 1842 N ARG A 150 151.462 197.044 196.903 1.00 28.69 N +ATOM 1843 CA ARG A 150 151.374 196.851 195.460 1.00 33.17 C +ATOM 1844 C ARG A 150 152.464 197.590 194.690 1.00 35.91 C +ATOM 1845 O ARG A 150 152.743 198.759 194.947 1.00 33.13 O +ATOM 1846 CB ARG A 150 149.997 197.295 194.969 1.00 29.74 C +ATOM 1847 CG ARG A 150 148.889 196.329 195.340 1.00 31.71 C +ATOM 1848 CD ARG A 150 148.905 195.114 194.429 1.00 31.73 C +ATOM 1849 NE ARG A 150 148.285 195.405 193.140 1.00 31.47 N +ATOM 1850 CZ ARG A 150 146.981 195.320 192.899 1.00 32.61 C +ATOM 1851 NH1 ARG A 150 146.141 194.949 193.855 1.00 31.17 N +ATOM 1852 NH2 ARG A 150 146.512 195.608 191.694 1.00 37.15 N +ATOM 1853 H ARG A 150 151.526 197.868 197.142 1.00 34.43 H +ATOM 1854 HA ARG A 150 151.466 195.905 195.267 1.00 39.80 H +ATOM 1855 HB2 ARG A 150 149.786 198.156 195.362 1.00 35.68 H +ATOM 1856 HB3 ARG A 150 150.018 197.369 194.002 1.00 35.68 H +ATOM 1857 HG2 ARG A 150 149.016 196.028 196.253 1.00 38.05 H +ATOM 1858 HG3 ARG A 150 148.031 196.771 195.245 1.00 38.05 H +ATOM 1859 HD2 ARG A 150 149.823 194.845 194.271 1.00 38.08 H +ATOM 1860 HD3 ARG A 150 148.410 194.393 194.849 1.00 38.08 H +ATOM 1861 HE ARG A 150 148.798 195.648 192.494 1.00 37.77 H +ATOM 1862 HH11 ARG A 150 146.438 194.761 194.640 1.00 37.41 H +ATOM 1863 HH12 ARG A 150 145.298 194.896 193.691 1.00 37.41 H +ATOM 1864 HH21 ARG A 150 147.051 195.849 191.069 1.00 44.58 H +ATOM 1865 HH22 ARG A 150 145.669 195.552 191.536 1.00 44.58 H +ATOM 1866 N ALA A 151 153.081 196.886 193.746 1.00 34.49 N +ATOM 1867 CA ALA A 151 154.106 197.472 192.895 1.00 34.51 C +ATOM 1868 C ALA A 151 153.463 198.340 191.817 1.00 39.81 C +ATOM 1869 O ALA A 151 153.966 199.417 191.498 1.00 42.03 O +ATOM 1870 CB ALA A 151 154.960 196.387 192.269 1.00 37.71 C +ATOM 1871 H ALA A 151 152.922 196.058 193.579 1.00 41.39 H +ATOM 1872 HA ALA A 151 154.682 198.037 193.433 1.00 41.42 H +ATOM 1873 HB1 ALA A 151 155.634 196.801 191.707 1.00 45.26 H +ATOM 1874 HB2 ALA A 151 155.386 195.875 192.974 1.00 45.26 H +ATOM 1875 HB3 ALA A 151 154.394 195.808 191.735 1.00 45.26 H +ATOM 1876 N LEU A 152 152.357 197.856 191.255 1.00 32.69 N +ATOM 1877 CA LEU A 152 151.506 198.661 190.381 1.00 33.70 C +ATOM 1878 C LEU A 152 150.145 198.857 191.033 1.00 36.02 C +ATOM 1879 O LEU A 152 149.605 197.930 191.634 1.00 33.53 O +ATOM 1880 CB LEU A 152 151.330 198.006 189.009 1.00 41.94 C +ATOM 1881 CG LEU A 152 152.468 198.118 187.993 1.00 40.24 C +ATOM 1882 CD1 LEU A 152 152.059 197.426 186.706 1.00 35.55 C +ATOM 1883 CD2 LEU A 152 152.844 199.569 187.723 1.00 33.89 C +ATOM 1884 H LEU A 152 152.075 197.051 191.366 1.00 39.22 H +ATOM 1885 HA LEU A 152 151.911 199.533 190.253 1.00 40.44 H +ATOM 1886 HB2 LEU A 152 151.174 197.059 189.152 1.00 50.32 H +ATOM 1887 HB3 LEU A 152 150.545 198.395 188.594 1.00 50.32 H +ATOM 1888 HG LEU A 152 153.251 197.664 188.342 1.00 48.29 H +ATOM 1889 HD11 LEU A 152 152.783 197.500 186.065 1.00 42.66 H +ATOM 1890 HD12 LEU A 152 151.876 196.492 186.894 1.00 42.66 H +ATOM 1891 HD13 LEU A 152 151.262 197.856 186.357 1.00 42.66 H +ATOM 1892 HD21 LEU A 152 153.566 199.593 187.076 1.00 40.67 H +ATOM 1893 HD22 LEU A 152 152.070 200.036 187.372 1.00 40.67 H +ATOM 1894 HD23 LEU A 152 153.131 199.980 188.554 1.00 40.67 H +ATOM 1895 N PRO A 153 149.575 200.062 190.908 1.00 37.54 N +ATOM 1896 CA PRO A 153 148.282 200.293 191.556 1.00 33.15 C +ATOM 1897 C PRO A 153 147.167 199.499 190.890 1.00 37.63 C +ATOM 1898 O PRO A 153 147.329 199.071 189.746 1.00 37.41 O +ATOM 1899 CB PRO A 153 148.069 201.797 191.384 1.00 32.13 C +ATOM 1900 CG PRO A 153 148.836 202.146 190.161 1.00 32.18 C +ATOM 1901 CD PRO A 153 150.024 201.232 190.134 1.00 33.63 C +ATOM 1902 HA PRO A 153 148.326 200.073 192.499 1.00 39.78 H +ATOM 1903 HB2 PRO A 153 147.125 201.983 191.263 1.00 38.55 H +ATOM 1904 HB3 PRO A 153 148.418 202.269 192.156 1.00 38.55 H +ATOM 1905 HG2 PRO A 153 148.280 202.003 189.379 1.00 38.62 H +ATOM 1906 HG3 PRO A 153 149.121 203.072 190.212 1.00 38.62 H +ATOM 1907 HD2 PRO A 153 150.232 200.975 189.222 1.00 40.36 H +ATOM 1908 HD3 PRO A 153 150.783 201.652 190.567 1.00 40.36 H +ATOM 1909 N PRO A 154 146.051 199.292 191.600 1.00 36.50 N +ATOM 1910 CA PRO A 154 144.903 198.600 191.009 1.00 41.60 C +ATOM 1911 C PRO A 154 144.306 199.371 189.842 1.00 45.37 C +ATOM 1912 O PRO A 154 144.343 200.602 189.834 1.00 37.21 O +ATOM 1913 CB PRO A 154 143.906 198.515 192.170 1.00 38.67 C +ATOM 1914 CG PRO A 154 144.312 199.604 193.102 1.00 41.44 C +ATOM 1915 CD PRO A 154 145.799 199.674 192.998 1.00 35.14 C +ATOM 1916 HA PRO A 154 145.149 197.706 190.722 1.00 49.91 H +ATOM 1917 HB2 PRO A 154 143.006 198.662 191.840 1.00 46.41 H +ATOM 1918 HB3 PRO A 154 143.978 197.649 192.601 1.00 46.41 H +ATOM 1919 HG2 PRO A 154 143.908 200.440 192.822 1.00 49.73 H +ATOM 1920 HG3 PRO A 154 144.041 199.378 194.005 1.00 49.73 H +ATOM 1921 HD2 PRO A 154 146.109 200.578 193.164 1.00 42.17 H +ATOM 1922 HD3 PRO A 154 146.212 199.038 193.604 1.00 42.17 H +ATOM 1923 N VAL A 155 143.774 198.648 188.865 1.00 51.02 N +ATOM 1924 CA VAL A 155 143.023 199.270 187.787 1.00 52.14 C +ATOM 1925 C VAL A 155 141.814 199.961 188.412 1.00 45.47 C +ATOM 1926 O VAL A 155 141.085 199.332 189.177 1.00 53.90 O +ATOM 1927 CB VAL A 155 142.561 198.242 186.736 1.00 50.37 C +ATOM 1928 CG1 VAL A 155 141.786 198.925 185.608 1.00 54.43 C +ATOM 1929 CG2 VAL A 155 143.755 197.478 186.178 1.00 42.39 C +ATOM 1930 H VAL A 155 143.835 197.792 188.804 1.00 61.22 H +ATOM 1931 HA VAL A 155 143.572 199.939 187.348 1.00 62.57 H +ATOM 1932 HB VAL A 155 141.968 197.602 187.160 1.00 60.45 H +ATOM 1933 HG11 VAL A 155 141.510 198.255 184.964 1.00 65.32 H +ATOM 1934 HG12 VAL A 155 141.008 199.366 185.983 1.00 65.32 H +ATOM 1935 HG13 VAL A 155 142.363 199.578 185.180 1.00 65.32 H +ATOM 1936 HG21 VAL A 155 143.441 196.838 185.520 1.00 50.87 H +ATOM 1937 HG22 VAL A 155 144.366 198.107 185.763 1.00 50.87 H +ATOM 1938 HG23 VAL A 155 144.200 197.015 186.905 1.00 50.87 H +ATOM 1939 N PRO A 156 141.602 201.257 188.112 1.00 45.08 N +ATOM 1940 CA PRO A 156 140.433 201.930 188.694 1.00 59.60 C +ATOM 1941 C PRO A 156 139.126 201.204 188.387 1.00 60.65 C +ATOM 1942 O PRO A 156 139.056 200.420 187.443 1.00 58.05 O +ATOM 1943 CB PRO A 156 140.459 203.327 188.054 1.00 60.95 C +ATOM 1944 CG PRO A 156 141.547 203.310 187.035 1.00 52.97 C +ATOM 1945 CD PRO A 156 142.464 202.191 187.369 1.00 46.39 C +ATOM 1946 HA PRO A 156 140.536 202.014 189.655 1.00 71.52 H +ATOM 1947 HB2 PRO A 156 139.603 203.504 187.633 1.00 73.14 H +ATOM 1948 HB3 PRO A 156 140.644 203.991 188.737 1.00 73.14 H +ATOM 1949 HG2 PRO A 156 141.160 203.174 186.156 1.00 63.56 H +ATOM 1950 HG3 PRO A 156 142.025 204.154 187.064 1.00 63.56 H +ATOM 1951 HD2 PRO A 156 142.797 201.774 186.560 1.00 55.67 H +ATOM 1952 HD3 PRO A 156 143.188 202.505 187.933 1.00 55.67 H +ATOM 1953 N ASP A 157 138.103 201.469 189.191 1.00 76.52 N +ATOM 1954 CA ASP A 157 136.872 200.689 189.154 1.00 85.74 C +ATOM 1955 C ASP A 157 136.115 200.842 187.840 1.00 85.55 C +ATOM 1956 O ASP A 157 135.990 199.884 187.077 1.00 87.01 O +ATOM 1957 CB ASP A 157 135.975 201.084 190.327 1.00 89.93 C +ATOM 1958 CG ASP A 157 136.638 200.845 191.670 1.00 95.36 C +ATOM 1959 OD1 ASP A 157 137.291 199.791 191.830 1.00 90.82 O +ATOM 1960 OD2 ASP A 157 136.518 201.712 192.560 1.00 88.79 O +ATOM 1961 H ASP A 157 138.096 202.103 189.773 1.00 91.83 H +ATOM 1962 HA ASP A 157 137.097 199.751 189.257 1.00102.89 H +ATOM 1963 HB2 ASP A 157 135.763 202.028 190.260 1.00107.92 H +ATOM 1964 HB3 ASP A 157 135.161 200.557 190.295 1.00107.92 H +ATOM 1965 N ASP A 158 135.605 202.040 187.578 1.00 82.59 N +ATOM 1966 CA ASP A 158 134.810 202.271 186.378 1.00 88.82 C +ATOM 1967 C ASP A 158 135.729 202.442 185.171 1.00 79.11 C +ATOM 1968 O ASP A 158 135.989 203.561 184.727 1.00 88.57 O +ATOM 1969 CB ASP A 158 133.901 203.496 186.556 1.00105.81 C +ATOM 1970 CG ASP A 158 132.666 203.446 185.670 1.00121.76 C +ATOM 1971 OD1 ASP A 158 132.130 202.340 185.448 1.00125.47 O +ATOM 1972 OD2 ASP A 158 132.226 204.517 185.201 1.00127.22 O +ATOM 1973 H ASP A 158 135.704 202.734 188.077 1.00 99.11 H +ATOM 1974 HA ASP A 158 134.245 201.499 186.219 1.00106.59 H +ATOM 1975 HB2 ASP A 158 133.607 203.539 187.480 1.00126.97 H +ATOM 1976 HB3 ASP A 158 134.401 204.296 186.330 1.00126.97 H +ATOM 1977 N CYS A 159 136.221 201.319 184.654 1.00 58.94 N +ATOM 1978 CA CYS A 159 137.076 201.314 183.472 1.00 68.35 C +ATOM 1979 C CYS A 159 136.405 200.572 182.320 1.00 66.44 C +ATOM 1980 O CYS A 159 135.601 199.670 182.551 1.00 63.66 O +ATOM 1981 CB CYS A 159 138.426 200.670 183.784 1.00 71.14 C +ATOM 1982 SG CYS A 159 139.632 201.811 184.475 1.00 70.77 S +ATOM 1983 H CYS A 159 136.071 200.535 184.976 1.00 70.73 H +ATOM 1984 HA CYS A 159 137.235 202.228 183.190 1.00 82.02 H +ATOM 1985 HB2 CYS A 159 138.290 199.956 184.427 1.00 85.37 H +ATOM 1986 HB3 CYS A 159 138.796 200.307 182.964 1.00 85.37 H +ATOM 1987 N PRO A 160 136.736 200.948 181.072 1.00 55.53 N +ATOM 1988 CA PRO A 160 136.184 200.273 179.891 1.00 62.79 C +ATOM 1989 C PRO A 160 136.350 198.757 179.934 1.00 68.02 C +ATOM 1990 O PRO A 160 135.470 198.032 179.470 1.00 85.18 O +ATOM 1991 CB PRO A 160 136.991 200.878 178.742 1.00 69.69 C +ATOM 1992 CG PRO A 160 137.354 202.230 179.226 1.00 57.25 C +ATOM 1993 CD PRO A 160 137.598 202.083 180.694 1.00 58.67 C +ATOM 1994 HA PRO A 160 135.246 200.495 179.781 1.00 75.35 H +ATOM 1995 HB2 PRO A 160 137.784 200.344 178.579 1.00 83.63 H +ATOM 1996 HB3 PRO A 160 136.440 200.933 177.946 1.00 83.63 H +ATOM 1997 HG2 PRO A 160 138.158 202.531 178.775 1.00 68.70 H +ATOM 1998 HG3 PRO A 160 136.620 202.842 179.062 1.00 68.70 H +ATOM 1999 HD2 PRO A 160 138.529 201.871 180.863 1.00 70.40 H +ATOM 2000 HD3 PRO A 160 137.325 202.886 181.164 1.00 70.40 H +ATOM 2001 N THR A 161 137.468 198.293 180.482 1.00 71.47 N +ATOM 2002 CA THR A 161 137.715 196.866 180.638 1.00 69.08 C +ATOM 2003 C THR A 161 138.342 196.603 182.004 1.00 64.82 C +ATOM 2004 O THR A 161 138.824 197.530 182.653 1.00 64.73 O +ATOM 2005 CB THR A 161 138.643 196.317 179.534 1.00 68.08 C +ATOM 2006 OG1 THR A 161 140.000 196.671 179.823 1.00 65.10 O +ATOM 2007 CG2 THR A 161 138.252 196.869 178.172 1.00 86.01 C +ATOM 2008 H THR A 161 138.106 198.791 180.774 1.00 85.76 H +ATOM 2009 HA THR A 161 136.872 196.388 180.593 1.00 82.89 H +ATOM 2010 HB THR A 161 138.565 195.351 179.503 1.00 81.70 H +ATOM 2011 HG1 THR A 161 140.508 196.374 179.223 1.00 78.13 H +ATOM 2012 HG21 THR A 161 138.844 196.515 177.490 1.00103.21 H +ATOM 2013 HG22 THR A 161 137.340 196.615 177.961 1.00103.21 H +ATOM 2014 HG23 THR A 161 138.318 197.837 178.175 1.00103.21 H +ATOM 2015 N PRO A 162 138.328 195.337 182.449 1.00 55.40 N +ATOM 2016 CA PRO A 162 138.926 194.959 183.734 1.00 55.60 C +ATOM 2017 C PRO A 162 140.382 195.396 183.880 1.00 53.80 C +ATOM 2018 O PRO A 162 140.789 195.801 184.968 1.00 57.61 O +ATOM 2019 CB PRO A 162 138.816 193.433 183.726 1.00 51.92 C +ATOM 2020 CG PRO A 162 137.629 193.157 182.887 1.00 59.06 C +ATOM 2021 CD PRO A 162 137.644 194.198 181.812 1.00 51.55 C +ATOM 2022 HA PRO A 162 138.405 195.318 184.469 1.00 66.72 H +ATOM 2023 HB2 PRO A 162 139.614 193.048 183.333 1.00 62.30 H +ATOM 2024 HB3 PRO A 162 138.683 193.108 184.630 1.00 62.30 H +ATOM 2025 HG2 PRO A 162 137.701 192.269 182.504 1.00 70.87 H +ATOM 2026 HG3 PRO A 162 136.826 193.234 183.426 1.00 70.87 H +ATOM 2027 HD2 PRO A 162 138.149 193.885 181.046 1.00 61.86 H +ATOM 2028 HD3 PRO A 162 136.738 194.442 181.565 1.00 61.86 H +ATOM 2029 N LEU A 163 141.147 195.317 182.796 1.00 47.59 N +ATOM 2030 CA LEU A 163 142.568 195.647 182.829 1.00 42.67 C +ATOM 2031 C LEU A 163 142.823 197.121 182.542 1.00 44.41 C +ATOM 2032 O LEU A 163 143.930 197.616 182.745 1.00 51.58 O +ATOM 2033 CB LEU A 163 143.332 194.791 181.820 1.00 46.38 C +ATOM 2034 CG LEU A 163 143.247 193.280 182.033 1.00 53.79 C +ATOM 2035 CD1 LEU A 163 143.952 192.555 180.908 1.00 66.68 C +ATOM 2036 CD2 LEU A 163 143.835 192.879 183.376 1.00 48.44 C +ATOM 2037 H LEU A 163 140.864 195.072 182.021 1.00 57.11 H +ATOM 2038 HA LEU A 163 142.916 195.450 183.713 1.00 51.20 H +ATOM 2039 HB2 LEU A 163 142.984 194.979 180.935 1.00 55.66 H +ATOM 2040 HB3 LEU A 163 144.269 195.037 181.858 1.00 55.66 H +ATOM 2041 HG LEU A 163 142.314 193.012 182.024 1.00 64.55 H +ATOM 2042 HD11 LEU A 163 143.888 191.599 181.059 1.00 80.02 H +ATOM 2043 HD12 LEU A 163 143.525 192.786 180.068 1.00 80.02 H +ATOM 2044 HD13 LEU A 163 144.883 192.826 180.892 1.00 80.02 H +ATOM 2045 HD21 LEU A 163 143.765 191.917 183.477 1.00 58.13 H +ATOM 2046 HD22 LEU A 163 144.767 193.148 183.404 1.00 58.13 H +ATOM 2047 HD23 LEU A 163 143.341 193.324 184.082 1.00 58.13 H +ATOM 2048 N GLY A 164 141.794 197.815 182.068 1.00 54.65 N +ATOM 2049 CA GLY A 164 141.906 199.222 181.735 1.00 65.16 C +ATOM 2050 C GLY A 164 141.071 199.544 180.512 1.00 66.46 C +ATOM 2051 O GLY A 164 139.871 199.784 180.621 1.00 63.99 O +ATOM 2052 H GLY A 164 141.012 197.485 181.929 1.00 65.58 H +ATOM 2053 HA2 GLY A 164 141.595 199.762 182.478 1.00 78.19 H +ATOM 2054 HA3 GLY A 164 142.832 199.445 181.550 1.00 78.19 H +ATOM 2055 N VAL A 165 141.715 199.545 179.347 1.00 74.31 N +ATOM 2056 CA VAL A 165 141.029 199.749 178.074 1.00 66.99 C +ATOM 2057 C VAL A 165 141.211 198.536 177.167 1.00 63.01 C +ATOM 2058 O VAL A 165 140.345 198.223 176.352 1.00 70.51 O +ATOM 2059 CB VAL A 165 141.538 201.013 177.344 1.00 64.02 C +ATOM 2060 CG1 VAL A 165 141.205 202.261 178.146 1.00 52.31 C +ATOM 2061 CG2 VAL A 165 143.037 200.925 177.084 1.00 50.79 C +ATOM 2062 H VAL A 165 142.563 199.427 179.267 1.00 89.17 H +ATOM 2063 HA VAL A 165 140.080 199.860 178.241 1.00 80.39 H +ATOM 2064 HB VAL A 165 141.090 201.082 176.487 1.00 76.83 H +ATOM 2065 HG11 VAL A 165 141.534 203.039 177.669 1.00 62.77 H +ATOM 2066 HG12 VAL A 165 140.243 202.320 178.254 1.00 62.77 H +ATOM 2067 HG13 VAL A 165 141.632 202.201 179.015 1.00 62.77 H +ATOM 2068 HG21 VAL A 165 143.325 201.730 176.626 1.00 60.95 H +ATOM 2069 HG22 VAL A 165 143.500 200.842 177.932 1.00 60.95 H +ATOM 2070 HG23 VAL A 165 143.216 200.148 176.531 1.00 60.95 H +ATOM 2071 N LYS A 166 142.341 197.855 177.319 1.00 68.77 N +ATOM 2072 CA LYS A 166 142.659 196.691 176.499 1.00 61.32 C +ATOM 2073 C LYS A 166 141.812 195.479 176.881 1.00 61.61 C +ATOM 2074 O LYS A 166 141.258 195.417 177.978 1.00 59.30 O +ATOM 2075 CB LYS A 166 144.144 196.346 176.628 1.00 65.83 C +ATOM 2076 CG LYS A 166 145.085 197.425 176.115 1.00 65.71 C +ATOM 2077 CD LYS A 166 145.023 197.541 174.602 1.00 90.54 C +ATOM 2078 CE LYS A 166 146.063 198.514 174.074 1.00 90.32 C +ATOM 2079 NZ LYS A 166 146.056 198.577 172.585 1.00112.55 N +ATOM 2080 H LYS A 166 142.948 198.049 177.897 1.00 82.52 H +ATOM 2081 HA LYS A 166 142.479 196.902 175.569 1.00 73.58 H +ATOM 2082 HB2 LYS A 166 144.349 196.197 177.564 1.00 78.99 H +ATOM 2083 HB3 LYS A 166 144.320 195.537 176.122 1.00 78.99 H +ATOM 2084 HG2 LYS A 166 144.830 198.280 176.496 1.00 78.85 H +ATOM 2085 HG3 LYS A 166 145.995 197.203 176.366 1.00 78.85 H +ATOM 2086 HD2 LYS A 166 145.193 196.671 174.208 1.00108.64 H +ATOM 2087 HD3 LYS A 166 144.146 197.862 174.341 1.00108.64 H +ATOM 2088 HE2 LYS A 166 145.872 199.402 174.415 1.00108.39 H +ATOM 2089 HE3 LYS A 166 146.944 198.227 174.360 1.00108.39 H +ATOM 2090 HZ1 LYS A 166 146.672 199.153 172.302 1.00135.07 H +ATOM 2091 HZ2 LYS A 166 146.233 197.774 172.245 1.00135.07 H +ATOM 2092 HZ3 LYS A 166 145.257 198.843 172.296 1.00135.07 H +ATOM 2093 N GLY A 167 141.717 194.520 175.966 1.00 65.42 N +ATOM 2094 CA GLY A 167 140.991 193.289 176.218 1.00 69.61 C +ATOM 2095 C GLY A 167 139.496 193.431 176.004 1.00 71.50 C +ATOM 2096 O GLY A 167 139.007 194.508 175.664 1.00 70.16 O +ATOM 2097 H GLY A 167 142.070 194.563 175.183 1.00 78.50 H +ATOM 2098 HA2 GLY A 167 141.320 192.595 175.625 1.00 83.53 H +ATOM 2099 HA3 GLY A 167 141.144 193.007 177.133 1.00 83.53 H +ATOM 2100 N LYS A 168 138.772 192.334 176.201 1.00 78.61 N +ATOM 2101 CA LYS A 168 137.318 192.338 176.096 1.00 65.04 C +ATOM 2102 C LYS A 168 136.703 192.853 177.393 1.00 76.83 C +ATOM 2103 O LYS A 168 137.400 193.020 178.394 1.00 81.18 O +ATOM 2104 CB LYS A 168 136.797 190.935 175.780 1.00 60.13 C +ATOM 2105 H LYS A 168 139.104 191.566 176.400 1.00 94.33 H +ATOM 2106 HA LYS A 168 137.051 192.931 175.376 1.00 78.04 H +ATOM 2107 N LYS A 169 135.398 193.105 177.372 1.00 78.44 N +ATOM 2108 CA LYS A 169 134.699 193.616 178.546 1.00 76.28 C +ATOM 2109 C LYS A 169 134.750 192.605 179.687 1.00 70.36 C +ATOM 2110 O LYS A 169 134.748 192.977 180.860 1.00 74.67 O +ATOM 2111 CB LYS A 169 133.246 193.948 178.204 1.00 76.14 C +ATOM 2112 H LYS A 169 134.892 192.989 176.686 1.00 94.13 H +ATOM 2113 HA LYS A 169 135.133 194.431 178.845 1.00 91.54 H +ATOM 2114 N GLN A 170 134.794 191.327 179.326 1.00 59.21 N +ATOM 2115 CA GLN A 170 134.849 190.240 180.298 1.00 66.49 C +ATOM 2116 C GLN A 170 136.098 189.399 180.071 1.00 72.16 C +ATOM 2117 O GLN A 170 136.393 189.006 178.941 1.00 62.43 O +ATOM 2118 CB GLN A 170 133.597 189.367 180.193 1.00 69.07 C +ATOM 2119 CG GLN A 170 133.462 188.330 181.296 1.00 80.28 C +ATOM 2120 CD GLN A 170 132.328 187.357 181.041 1.00 90.68 C +ATOM 2121 OE1 GLN A 170 132.421 186.495 180.167 1.00 95.33 O +ATOM 2122 NE2 GLN A 170 131.248 187.494 181.801 1.00 93.26 N +ATOM 2123 H GLN A 170 134.792 191.059 178.509 1.00 71.05 H +ATOM 2124 HA GLN A 170 134.889 190.612 181.193 1.00 79.79 H +ATOM 2125 HB2 GLN A 170 132.815 189.940 180.231 1.00 82.89 H +ATOM 2126 HB3 GLN A 170 133.616 188.896 179.346 1.00 82.89 H +ATOM 2127 HG2 GLN A 170 134.287 187.823 181.355 1.00 96.33 H +ATOM 2128 HG3 GLN A 170 133.288 188.782 182.136 1.00 96.33 H +ATOM 2129 HE21 GLN A 170 131.219 188.110 182.400 1.00111.91 H +ATOM 2130 HE22 GLN A 170 130.578 186.965 181.695 1.00111.91 H +ATOM 2131 N LEU A 171 136.834 189.135 181.145 1.00 67.16 N +ATOM 2132 CA LEU A 171 138.034 188.315 181.053 1.00 53.80 C +ATOM 2133 C LEU A 171 137.657 186.867 180.759 1.00 52.95 C +ATOM 2134 O LEU A 171 136.572 186.420 181.130 1.00 57.54 O +ATOM 2135 CB LEU A 171 138.846 188.398 182.346 1.00 64.38 C +ATOM 2136 CG LEU A 171 139.539 189.735 182.609 1.00 53.67 C +ATOM 2137 CD1 LEU A 171 139.977 189.834 184.061 1.00 53.34 C +ATOM 2138 CD2 LEU A 171 140.730 189.916 181.676 1.00 65.38 C +ATOM 2139 H LEU A 171 136.660 189.420 181.937 1.00 80.59 H +ATOM 2140 HA LEU A 171 138.588 188.638 180.325 1.00 64.56 H +ATOM 2141 HB2 LEU A 171 138.251 188.228 183.093 1.00 77.26 H +ATOM 2142 HB3 LEU A 171 139.534 187.715 182.319 1.00 77.26 H +ATOM 2143 HG LEU A 171 138.912 190.455 182.436 1.00 64.41 H +ATOM 2144 HD11 LEU A 171 140.413 190.689 184.202 1.00 64.01 H +ATOM 2145 HD12 LEU A 171 139.195 189.762 184.631 1.00 64.01 H +ATOM 2146 HD13 LEU A 171 140.595 189.111 184.254 1.00 64.01 H +ATOM 2147 HD21 LEU A 171 141.151 190.770 181.864 1.00 78.46 H +ATOM 2148 HD22 LEU A 171 141.362 189.196 181.828 1.00 78.46 H +ATOM 2149 HD23 LEU A 171 140.418 189.895 180.758 1.00 78.46 H +ATOM 2150 N PRO A 172 138.550 186.128 180.084 1.00 54.81 N +ATOM 2151 CA PRO A 172 138.274 184.722 179.765 1.00 56.43 C +ATOM 2152 C PRO A 172 138.013 183.874 181.007 1.00 57.59 C +ATOM 2153 O PRO A 172 138.494 184.205 182.089 1.00 60.61 O +ATOM 2154 CB PRO A 172 139.549 184.263 179.044 1.00 57.18 C +ATOM 2155 CG PRO A 172 140.577 185.303 179.340 1.00 60.11 C +ATOM 2156 CD PRO A 172 139.844 186.573 179.541 1.00 55.69 C +ATOM 2157 HA PRO A 172 137.518 184.653 179.161 1.00 67.72 H +ATOM 2158 HB2 PRO A 172 139.826 183.401 179.391 1.00 68.61 H +ATOM 2159 HB3 PRO A 172 139.382 184.210 178.090 1.00 68.61 H +ATOM 2160 HG2 PRO A 172 141.061 185.059 180.144 1.00 72.13 H +ATOM 2161 HG3 PRO A 172 141.186 185.378 178.588 1.00 72.13 H +ATOM 2162 HD2 PRO A 172 140.307 187.133 180.184 1.00 66.83 H +ATOM 2163 HD3 PRO A 172 139.718 187.029 178.695 1.00 66.83 H +ATOM 2164 N ASP A 173 137.246 182.800 180.843 1.00 62.51 N +ATOM 2165 CA ASP A 173 136.974 181.873 181.935 1.00 63.35 C +ATOM 2166 C ASP A 173 138.282 181.322 182.492 1.00 62.54 C +ATOM 2167 O ASP A 173 139.142 180.867 181.739 1.00 60.75 O +ATOM 2168 CB ASP A 173 136.070 180.735 181.456 1.00 66.49 C +ATOM 2169 CG ASP A 173 136.017 179.581 182.435 1.00 70.72 C +ATOM 2170 OD1 ASP A 173 136.747 178.590 182.226 1.00 72.00 O +ATOM 2171 OD2 ASP A 173 135.248 179.665 183.414 1.00 73.60 O +ATOM 2172 H ASP A 173 136.868 182.586 180.101 1.00 75.01 H +ATOM 2173 HA ASP A 173 136.515 182.344 182.648 1.00 76.02 H +ATOM 2174 HB2 ASP A 173 135.168 181.074 181.342 1.00 79.79 H +ATOM 2175 HB3 ASP A 173 136.407 180.397 180.611 1.00 79.79 H +ATOM 2176 N SER A 174 138.428 181.369 183.812 1.00 63.55 N +ATOM 2177 CA SER A 174 139.697 181.036 184.450 1.00 65.30 C +ATOM 2178 C SER A 174 139.991 179.538 184.409 1.00 67.26 C +ATOM 2179 O SER A 174 141.140 179.134 184.241 1.00 60.28 O +ATOM 2180 CB SER A 174 139.709 181.534 185.899 1.00 68.81 C +ATOM 2181 OG SER A 174 138.604 181.029 186.628 1.00 66.45 O +ATOM 2182 H SER A 174 137.806 181.592 184.363 1.00 76.26 H +ATOM 2183 HA SER A 174 140.412 181.489 183.977 1.00 78.36 H +ATOM 2184 HB2 SER A 174 140.528 181.239 186.326 1.00 82.57 H +ATOM 2185 HB3 SER A 174 139.668 182.503 185.898 1.00 82.57 H +ATOM 2186 HG SER A 174 138.628 181.313 187.419 1.00 79.74 H +ATOM 2187 N ASN A 175 138.958 178.716 184.560 1.00 73.35 N +ATOM 2188 CA ASN A 175 139.129 177.268 184.497 1.00 68.62 C +ATOM 2189 C ASN A 175 139.548 176.823 183.099 1.00 69.56 C +ATOM 2190 O ASN A 175 140.256 175.828 182.937 1.00 53.72 O +ATOM 2191 CB ASN A 175 137.842 176.555 184.913 1.00 66.77 C +ATOM 2192 CG ASN A 175 137.879 175.067 184.623 1.00 65.92 C +ATOM 2193 OD1 ASN A 175 138.575 174.307 185.296 1.00 67.08 O +ATOM 2194 ND2 ASN A 175 137.120 174.643 183.620 1.00 80.34 N +ATOM 2195 H ASN A 175 138.148 178.970 184.699 1.00 88.02 H +ATOM 2196 HA ASN A 175 139.829 177.007 185.116 1.00 82.35 H +ATOM 2197 HB2 ASN A 175 137.709 176.672 185.866 1.00 80.13 H +ATOM 2198 HB3 ASN A 175 137.097 176.938 184.424 1.00 80.13 H +ATOM 2199 HD21 ASN A 175 137.105 173.807 183.415 1.00 96.41 H +ATOM 2200 HD22 ASN A 175 136.643 175.203 183.175 1.00 96.41 H +ATOM 2201 N GLU A 176 139.109 177.570 182.092 1.00 76.73 N +ATOM 2202 CA GLU A 176 139.490 177.298 180.713 1.00 64.23 C +ATOM 2203 C GLU A 176 140.961 177.637 180.487 1.00 62.24 C +ATOM 2204 O GLU A 176 141.671 176.907 179.797 1.00 58.26 O +ATOM 2205 CB GLU A 176 138.603 178.088 179.751 1.00 76.01 C +ATOM 2206 CG GLU A 176 138.859 177.792 178.282 1.00 83.53 C +ATOM 2207 CD GLU A 176 137.820 178.414 177.367 1.00 95.75 C +ATOM 2208 OE1 GLU A 176 136.782 178.893 177.873 1.00 87.57 O +ATOM 2209 OE2 GLU A 176 138.041 178.424 176.139 1.00 95.54 O +ATOM 2210 H GLU A 176 138.585 178.246 182.183 1.00 92.08 H +ATOM 2211 HA GLU A 176 139.366 176.354 180.530 1.00 77.07 H +ATOM 2212 HB2 GLU A 176 137.675 177.876 179.938 1.00 91.22 H +ATOM 2213 HB3 GLU A 176 138.757 179.036 179.892 1.00 91.22 H +ATOM 2214 HG2 GLU A 176 139.727 178.147 178.035 1.00100.24 H +ATOM 2215 HG3 GLU A 176 138.842 176.832 178.146 1.00100.24 H +ATOM 2216 N ILE A 177 141.409 178.745 181.070 1.00 61.98 N +ATOM 2217 CA ILE A 177 142.816 179.123 181.015 1.00 56.22 C +ATOM 2218 C ILE A 177 143.673 178.016 181.610 1.00 55.60 C +ATOM 2219 O ILE A 177 144.722 177.674 181.071 1.00 54.01 O +ATOM 2220 CB ILE A 177 143.086 180.443 181.772 1.00 50.18 C +ATOM 2221 CG1 ILE A 177 142.468 181.620 181.016 1.00 59.00 C +ATOM 2222 CG2 ILE A 177 144.595 180.675 181.957 1.00 47.43 C +ATOM 2223 CD1 ILE A 177 142.566 182.941 181.744 1.00 57.72 C +ATOM 2224 H ILE A 177 140.915 179.297 181.507 1.00 74.38 H +ATOM 2225 HA ILE A 177 143.078 179.245 180.089 1.00 67.46 H +ATOM 2226 HB ILE A 177 142.673 180.387 182.648 1.00 60.21 H +ATOM 2227 HG12 ILE A 177 142.922 181.716 180.165 1.00 70.79 H +ATOM 2228 HG13 ILE A 177 141.527 181.434 180.866 1.00 70.79 H +ATOM 2229 HG21 ILE A 177 144.730 181.509 182.434 1.00 56.91 H +ATOM 2230 HG22 ILE A 177 144.967 179.938 182.467 1.00 56.91 H +ATOM 2231 HG23 ILE A 177 145.017 180.721 181.085 1.00 56.91 H +ATOM 2232 HD11 ILE A 177 142.153 183.631 181.201 1.00 69.26 H +ATOM 2233 HD12 ILE A 177 142.104 182.867 182.594 1.00 69.26 H +ATOM 2234 HD13 ILE A 177 143.501 183.151 181.892 1.00 69.26 H +ATOM 2235 N VAL A 178 143.220 177.463 182.727 1.00 54.10 N +ATOM 2236 CA VAL A 178 143.979 176.441 183.434 1.00 55.28 C +ATOM 2237 C VAL A 178 144.139 175.187 182.584 1.00 54.91 C +ATOM 2238 O VAL A 178 145.258 174.753 182.307 1.00 56.28 O +ATOM 2239 CB VAL A 178 143.306 176.075 184.771 1.00 69.37 C +ATOM 2240 CG1 VAL A 178 143.930 174.831 185.381 1.00 56.52 C +ATOM 2241 CG2 VAL A 178 143.410 177.239 185.742 1.00 61.84 C +ATOM 2242 H VAL A 178 142.470 177.663 183.099 1.00 64.92 H +ATOM 2243 HA VAL A 178 144.865 176.785 183.629 1.00 66.33 H +ATOM 2244 HB VAL A 178 142.366 175.896 184.615 1.00 83.24 H +ATOM 2245 HG11 VAL A 178 143.482 174.632 186.219 1.00 67.82 H +ATOM 2246 HG12 VAL A 178 143.823 174.090 184.764 1.00 67.82 H +ATOM 2247 HG13 VAL A 178 144.872 174.996 185.540 1.00 67.82 H +ATOM 2248 HG21 VAL A 178 142.982 176.993 186.577 1.00 74.21 H +ATOM 2249 HG22 VAL A 178 144.347 177.439 185.897 1.00 74.21 H +ATOM 2250 HG23 VAL A 178 142.966 178.011 185.358 1.00 74.21 H +ATOM 2251 N GLU A 179 143.016 174.607 182.177 1.00 59.46 N +ATOM 2252 CA GLU A 179 143.023 173.358 181.425 1.00 60.89 C +ATOM 2253 C GLU A 179 143.768 173.492 180.099 1.00 54.91 C +ATOM 2254 O GLU A 179 144.574 172.634 179.742 1.00 57.93 O +ATOM 2255 CB GLU A 179 141.588 172.889 181.176 1.00 63.50 C +ATOM 2256 CG GLU A 179 140.848 172.506 182.450 1.00 82.54 C +ATOM 2257 CD GLU A 179 139.427 172.040 182.192 1.00 87.48 C +ATOM 2258 OE1 GLU A 179 138.902 172.297 181.087 1.00 67.99 O +ATOM 2259 OE2 GLU A 179 138.835 171.413 183.097 1.00 95.96 O +ATOM 2260 H GLU A 179 142.229 174.920 182.326 1.00 71.35 H +ATOM 2261 HA GLU A 179 143.472 172.678 181.951 1.00 73.06 H +ATOM 2262 HB2 GLU A 179 141.093 173.605 180.748 1.00 76.20 H +ATOM 2263 HB3 GLU A 179 141.608 172.110 180.598 1.00 76.20 H +ATOM 2264 HG2 GLU A 179 141.325 171.784 182.887 1.00 99.05 H +ATOM 2265 HG3 GLU A 179 140.808 173.279 183.035 1.00 99.05 H +ATOM 2266 N LYS A 180 143.505 174.576 179.381 1.00 59.18 N +ATOM 2267 CA LYS A 180 144.096 174.783 178.063 1.00 60.20 C +ATOM 2268 C LYS A 180 145.592 175.094 178.119 1.00 61.30 C +ATOM 2269 O LYS A 180 146.331 174.731 177.204 1.00 67.92 O +ATOM 2270 CB LYS A 180 143.376 175.920 177.334 1.00 73.00 C +ATOM 2271 CG LYS A 180 141.904 175.666 177.051 1.00 70.72 C +ATOM 2272 CD LYS A 180 141.704 174.741 175.861 1.00 88.61 C +ATOM 2273 CE LYS A 180 140.258 174.751 175.384 1.00 79.22 C +ATOM 2274 NZ LYS A 180 139.811 176.111 174.962 1.00 77.46 N +ATOM 2275 H LYS A 180 142.985 175.212 179.635 1.00 71.01 H +ATOM 2276 HA LYS A 180 143.980 173.974 177.539 1.00 72.24 H +ATOM 2277 HB2 LYS A 180 143.436 176.721 177.877 1.00 87.60 H +ATOM 2278 HB3 LYS A 180 143.816 176.069 176.483 1.00 87.60 H +ATOM 2279 HG2 LYS A 180 141.497 175.252 177.828 1.00 84.86 H +ATOM 2280 HG3 LYS A 180 141.468 176.510 176.855 1.00 84.86 H +ATOM 2281 HD2 LYS A 180 142.268 175.035 175.129 1.00106.34 H +ATOM 2282 HD3 LYS A 180 141.933 173.834 176.118 1.00106.34 H +ATOM 2283 HE2 LYS A 180 140.170 174.155 174.624 1.00 95.06 H +ATOM 2284 HE3 LYS A 180 139.683 174.456 176.108 1.00 95.06 H +ATOM 2285 HZ1 LYS A 180 138.964 176.081 174.690 1.00 92.96 H +ATOM 2286 HZ2 LYS A 180 139.876 176.678 175.645 1.00 92.96 H +ATOM 2287 HZ3 LYS A 180 140.320 176.403 174.293 1.00 92.96 H +ATOM 2288 N LEU A 181 146.035 175.761 179.185 1.00 59.47 N +ATOM 2289 CA LEU A 181 147.392 176.317 179.231 1.00 60.96 C +ATOM 2290 C LEU A 181 148.253 175.858 180.407 1.00 57.41 C +ATOM 2291 O LEU A 181 149.466 175.724 180.263 1.00 52.87 O +ATOM 2292 CB LEU A 181 147.320 177.845 179.256 1.00 49.93 C +ATOM 2293 CG LEU A 181 146.684 178.508 178.035 1.00 55.32 C +ATOM 2294 CD1 LEU A 181 146.423 179.974 178.307 1.00 54.33 C +ATOM 2295 CD2 LEU A 181 147.578 178.343 176.819 1.00 65.77 C +ATOM 2296 H LEU A 181 145.572 175.906 179.894 1.00 71.36 H +ATOM 2297 HA LEU A 181 147.854 176.060 178.418 1.00 73.16 H +ATOM 2298 HB2 LEU A 181 146.804 178.114 180.032 1.00 59.91 H +ATOM 2299 HB3 LEU A 181 148.223 178.191 179.335 1.00 59.91 H +ATOM 2300 HG LEU A 181 145.834 178.079 177.846 1.00 66.38 H +ATOM 2301 HD11 LEU A 181 146.020 180.374 177.521 1.00 65.20 H +ATOM 2302 HD12 LEU A 181 145.822 180.052 179.064 1.00 65.20 H +ATOM 2303 HD13 LEU A 181 147.266 180.412 178.507 1.00 65.20 H +ATOM 2304 HD21 LEU A 181 147.156 178.770 176.057 1.00 78.92 H +ATOM 2305 HD22 LEU A 181 148.435 178.760 176.999 1.00 78.92 H +ATOM 2306 HD23 LEU A 181 147.700 177.397 176.643 1.00 78.92 H +ATOM 2307 N LEU A 182 147.642 175.632 181.567 1.00 59.57 N +ATOM 2308 CA LEU A 182 148.407 175.408 182.795 1.00 52.31 C +ATOM 2309 C LEU A 182 148.403 173.956 183.260 1.00 49.68 C +ATOM 2310 O LEU A 182 149.344 173.504 183.911 1.00 51.45 O +ATOM 2311 CB LEU A 182 147.864 176.296 183.920 1.00 55.88 C +ATOM 2312 CG LEU A 182 147.791 177.797 183.627 1.00 63.70 C +ATOM 2313 CD1 LEU A 182 147.380 178.556 184.879 1.00 63.82 C +ATOM 2314 CD2 LEU A 182 149.113 178.329 183.086 1.00 66.24 C +ATOM 2315 H LEU A 182 146.789 175.603 181.672 1.00 71.48 H +ATOM 2316 HA LEU A 182 149.329 175.663 182.637 1.00 62.77 H +ATOM 2317 HB2 LEU A 182 146.966 176.000 184.133 1.00 67.06 H +ATOM 2318 HB3 LEU A 182 148.433 176.182 184.697 1.00 67.06 H +ATOM 2319 HG LEU A 182 147.112 177.951 182.951 1.00 76.44 H +ATOM 2320 HD11 LEU A 182 147.339 179.504 184.675 1.00 76.59 H +ATOM 2321 HD12 LEU A 182 146.509 178.241 185.167 1.00 76.59 H +ATOM 2322 HD13 LEU A 182 148.036 178.396 185.575 1.00 76.59 H +ATOM 2323 HD21 LEU A 182 149.024 179.280 182.914 1.00 79.49 H +ATOM 2324 HD22 LEU A 182 149.808 178.175 183.745 1.00 79.49 H +ATOM 2325 HD23 LEU A 182 149.328 177.863 182.263 1.00 79.49 H +ATOM 2326 N LEU A 183 147.346 173.227 182.925 1.00 54.63 N +ATOM 2327 CA LEU A 183 147.167 171.870 183.426 1.00 61.64 C +ATOM 2328 C LEU A 183 148.178 170.895 182.822 1.00 61.19 C +ATOM 2329 O LEU A 183 148.363 170.847 181.604 1.00 65.85 O +ATOM 2330 CB LEU A 183 145.742 171.399 183.141 1.00 59.93 C +ATOM 2331 CG LEU A 183 145.326 170.036 183.696 1.00 57.96 C +ATOM 2332 CD1 LEU A 183 145.483 169.981 185.211 1.00 73.69 C +ATOM 2333 CD2 LEU A 183 143.892 169.751 183.297 1.00 56.18 C +ATOM 2334 H LEU A 183 146.715 173.496 182.406 1.00 65.56 H +ATOM 2335 HA LEU A 183 147.294 171.872 184.387 1.00 73.96 H +ATOM 2336 HB2 LEU A 183 145.129 172.054 183.511 1.00 71.91 H +ATOM 2337 HB3 LEU A 183 145.624 171.361 182.179 1.00 71.91 H +ATOM 2338 HG LEU A 183 145.890 169.349 183.309 1.00 69.55 H +ATOM 2339 HD11 LEU A 183 145.211 169.105 185.525 1.00 88.43 H +ATOM 2340 HD12 LEU A 183 146.413 170.140 185.438 1.00 88.43 H +ATOM 2341 HD13 LEU A 183 144.924 170.665 185.611 1.00 88.43 H +ATOM 2342 HD21 LEU A 183 143.633 168.886 183.651 1.00 67.42 H +ATOM 2343 HD22 LEU A 183 143.319 170.443 183.662 1.00 67.42 H +ATOM 2344 HD23 LEU A 183 143.830 169.745 182.329 1.00 67.42 H +ATOM 2345 N ARG A 184 148.826 170.118 183.685 1.00 56.50 N +ATOM 2346 CA ARG A 184 149.840 169.157 183.262 1.00 62.42 C +ATOM 2347 C ARG A 184 149.259 168.011 182.445 1.00 59.78 C +ATOM 2348 O ARG A 184 148.260 167.405 182.829 1.00 60.66 O +ATOM 2349 CB ARG A 184 150.568 168.586 184.481 1.00 58.47 C +ATOM 2350 CG ARG A 184 151.513 167.432 184.168 1.00 56.67 C +ATOM 2351 CD ARG A 184 152.224 166.958 185.419 1.00 59.65 C +ATOM 2352 NE ARG A 184 153.062 168.003 185.999 1.00 60.27 N +ATOM 2353 CZ ARG A 184 153.606 167.941 187.209 1.00 56.48 C +ATOM 2354 NH1 ARG A 184 153.398 166.885 187.984 1.00 67.46 N +ATOM 2355 NH2 ARG A 184 154.356 168.940 187.649 1.00 54.69 N +ATOM 2356 H ARG A 184 148.693 170.129 184.535 1.00 67.80 H +ATOM 2357 HA ARG A 184 150.494 169.614 182.711 1.00 74.91 H +ATOM 2358 HB2 ARG A 184 151.091 169.293 184.889 1.00 70.16 H +ATOM 2359 HB3 ARG A 184 149.907 168.262 185.113 1.00 70.16 H +ATOM 2360 HG2 ARG A 184 151.006 166.690 183.805 1.00 68.00 H +ATOM 2361 HG3 ARG A 184 152.182 167.728 183.531 1.00 68.00 H +ATOM 2362 HD2 ARG A 184 151.564 166.697 186.081 1.00 71.58 H +ATOM 2363 HD3 ARG A 184 152.791 166.203 185.196 1.00 71.58 H +ATOM 2364 HE ARG A 184 153.215 168.704 185.525 1.00 72.32 H +ATOM 2365 HH11 ARG A 184 152.912 166.234 187.702 1.00 80.96 H +ATOM 2366 HH12 ARG A 184 153.751 166.849 188.767 1.00 80.96 H +ATOM 2367 HH21 ARG A 184 154.492 169.628 187.150 1.00 65.63 H +ATOM 2368 HH22 ARG A 184 154.707 168.902 188.433 1.00 65.63 H +ATOM 2369 N ARG A 185 149.903 167.719 181.321 1.00 64.08 N +ATOM 2370 CA ARG A 185 149.569 166.551 180.514 1.00 70.83 C +ATOM 2371 C ARG A 185 150.542 165.421 180.840 1.00 58.23 C +ATOM 2372 O ARG A 185 150.147 164.383 181.365 1.00 68.62 O +ATOM 2373 CB ARG A 185 149.607 166.896 179.024 1.00 59.73 C +ATOM 2374 CG ARG A 185 148.393 167.689 178.557 1.00 61.32 C +ATOM 2375 CD ARG A 185 148.787 168.942 177.796 1.00 69.04 C +ATOM 2376 NE ARG A 185 147.617 169.655 177.288 1.00 78.03 N +ATOM 2377 CZ ARG A 185 146.887 170.511 177.997 1.00 82.61 C +ATOM 2378 NH1 ARG A 185 147.195 170.776 179.260 1.00 84.25 N +ATOM 2379 NH2 ARG A 185 145.841 171.107 177.441 1.00 85.43 N +ATOM 2380 H ARG A 185 150.548 168.189 181.000 1.00 76.89 H +ATOM 2381 HA ARG A 185 148.673 166.254 180.735 1.00 84.99 H +ATOM 2382 HB2 ARG A 185 150.398 167.429 178.845 1.00 71.67 H +ATOM 2383 HB3 ARG A 185 149.641 166.073 178.512 1.00 71.67 H +ATOM 2384 HG2 ARG A 185 147.858 167.134 177.969 1.00 73.58 H +ATOM 2385 HG3 ARG A 185 147.872 167.957 179.330 1.00 73.58 H +ATOM 2386 HD2 ARG A 185 149.271 169.537 178.389 1.00 82.84 H +ATOM 2387 HD3 ARG A 185 149.343 168.695 177.041 1.00 82.84 H +ATOM 2388 HE ARG A 185 147.384 169.510 176.473 1.00 93.64 H +ATOM 2389 HH11 ARG A 185 147.872 170.393 179.627 1.00101.10 H +ATOM 2390 HH12 ARG A 185 146.718 171.331 179.712 1.00101.10 H +ATOM 2391 HH21 ARG A 185 145.636 170.940 176.623 1.00102.51 H +ATOM 2392 HH22 ARG A 185 145.369 171.661 177.899 1.00102.51 H +ATOM 2393 N LYS A 186 151.814 165.638 180.524 1.00 64.79 N +ATOM 2394 CA LYS A 186 152.891 164.749 180.945 1.00 68.08 C +ATOM 2395 C LYS A 186 153.861 165.544 181.807 1.00 69.62 C +ATOM 2396 O LYS A 186 154.062 166.736 181.578 1.00 66.59 O +ATOM 2397 CB LYS A 186 153.606 164.143 179.734 1.00 76.73 C +ATOM 2398 CG LYS A 186 154.919 163.436 180.056 1.00 87.34 C +ATOM 2399 CD LYS A 186 155.584 162.908 178.792 1.00103.06 C +ATOM 2400 CE LYS A 186 157.065 162.628 179.011 1.00 99.73 C +ATOM 2401 NZ LYS A 186 157.772 162.332 177.735 1.00 83.56 N +ATOM 2402 H LYS A 186 152.085 166.307 180.056 1.00 77.75 H +ATOM 2403 HA LYS A 186 152.525 164.027 181.479 1.00 81.69 H +ATOM 2404 HB2 LYS A 186 153.016 163.493 179.321 1.00 92.07 H +ATOM 2405 HB3 LYS A 186 153.802 164.853 179.104 1.00 92.07 H +ATOM 2406 HG2 LYS A 186 155.526 164.062 180.481 1.00104.80 H +ATOM 2407 HG3 LYS A 186 154.744 162.685 180.645 1.00104.80 H +ATOM 2408 HD2 LYS A 186 155.155 162.079 178.527 1.00123.67 H +ATOM 2409 HD3 LYS A 186 155.501 163.569 178.088 1.00123.67 H +ATOM 2410 HE2 LYS A 186 157.481 163.407 179.414 1.00119.68 H +ATOM 2411 HE3 LYS A 186 157.161 161.859 179.595 1.00119.68 H +ATOM 2412 HZ1 LYS A 186 158.634 162.173 177.894 1.00100.27 H +ATOM 2413 HZ2 LYS A 186 157.413 161.616 177.347 1.00100.27 H +ATOM 2414 HZ3 LYS A 186 157.704 163.026 177.181 1.00100.27 H +ATOM 2415 N PHE A 187 154.452 164.889 182.801 1.00 60.27 N +ATOM 2416 CA PHE A 187 155.360 165.564 183.721 1.00 58.47 C +ATOM 2417 C PHE A 187 156.587 166.101 182.994 1.00 61.53 C +ATOM 2418 O PHE A 187 157.252 165.373 182.259 1.00 64.41 O +ATOM 2419 CB PHE A 187 155.795 164.619 184.843 1.00 66.07 C +ATOM 2420 CG PHE A 187 156.815 165.215 185.773 1.00 69.24 C +ATOM 2421 CD1 PHE A 187 156.439 166.135 186.737 1.00 74.90 C +ATOM 2422 CD2 PHE A 187 158.147 164.852 185.685 1.00 54.35 C +ATOM 2423 CE1 PHE A 187 157.374 166.686 187.594 1.00 63.32 C +ATOM 2424 CE2 PHE A 187 159.086 165.399 186.540 1.00 63.57 C +ATOM 2425 CZ PHE A 187 158.698 166.317 187.495 1.00 61.09 C +ATOM 2426 H PHE A 187 154.342 164.052 182.965 1.00 72.33 H +ATOM 2427 HA PHE A 187 154.899 166.316 184.124 1.00 70.17 H +ATOM 2428 HB2 PHE A 187 155.016 164.381 185.370 1.00 79.28 H +ATOM 2429 HB3 PHE A 187 156.182 163.822 184.449 1.00 79.28 H +ATOM 2430 HD1 PHE A 187 155.547 166.388 186.807 1.00 89.88 H +ATOM 2431 HD2 PHE A 187 158.415 164.235 185.043 1.00 65.23 H +ATOM 2432 HE1 PHE A 187 157.109 167.304 188.236 1.00 75.98 H +ATOM 2433 HE2 PHE A 187 159.979 165.149 186.471 1.00 76.28 H +ATOM 2434 HZ PHE A 187 159.328 166.686 188.071 1.00 73.30 H +ATOM 2435 N ILE A 188 156.875 167.380 183.214 1.00 55.85 N +ATOM 2436 CA ILE A 188 158.028 168.045 182.619 1.00 53.24 C +ATOM 2437 C ILE A 188 159.031 168.398 183.719 1.00 57.24 C +ATOM 2438 O ILE A 188 158.815 169.346 184.470 1.00 62.78 O +ATOM 2439 CB ILE A 188 157.615 169.323 181.866 1.00 47.89 C +ATOM 2440 CG1 ILE A 188 156.618 168.985 180.757 1.00 50.43 C +ATOM 2441 CG2 ILE A 188 158.839 170.015 181.270 1.00 47.09 C +ATOM 2442 CD1 ILE A 188 155.853 170.178 180.239 1.00 48.04 C +ATOM 2443 H ILE A 188 156.406 167.895 183.718 1.00 67.02 H +ATOM 2444 HA ILE A 188 158.459 167.444 181.991 1.00 63.89 H +ATOM 2445 HB ILE A 188 157.190 169.930 182.493 1.00 57.47 H +ATOM 2446 HG12 ILE A 188 157.101 168.596 180.011 1.00 60.51 H +ATOM 2447 HG13 ILE A 188 155.974 168.346 181.100 1.00 60.51 H +ATOM 2448 HG21 ILE A 188 158.552 170.815 180.802 1.00 56.51 H +ATOM 2449 HG22 ILE A 188 159.449 170.250 181.986 1.00 56.51 H +ATOM 2450 HG23 ILE A 188 159.274 169.407 180.651 1.00 56.51 H +ATOM 2451 HD11 ILE A 188 155.245 169.884 179.542 1.00 57.65 H +ATOM 2452 HD12 ILE A 188 155.353 170.574 180.970 1.00 57.65 H +ATOM 2453 HD13 ILE A 188 156.481 170.824 179.879 1.00 57.65 H +ATOM 2454 N PRO A 189 160.133 167.635 183.823 1.00 48.28 N +ATOM 2455 CA PRO A 189 161.099 167.901 184.894 1.00 45.42 C +ATOM 2456 C PRO A 189 161.921 169.160 184.649 1.00 54.61 C +ATOM 2457 O PRO A 189 162.135 169.548 183.501 1.00 64.36 O +ATOM 2458 CB PRO A 189 161.988 166.657 184.872 1.00 52.97 C +ATOM 2459 CG PRO A 189 161.942 166.204 183.466 1.00 56.38 C +ATOM 2460 CD PRO A 189 160.557 166.507 182.976 1.00 49.32 C +ATOM 2461 HA PRO A 189 160.650 167.965 185.751 1.00 54.50 H +ATOM 2462 HB2 PRO A 189 162.893 166.894 185.130 1.00 63.57 H +ATOM 2463 HB3 PRO A 189 161.625 165.982 185.466 1.00 63.57 H +ATOM 2464 HG2 PRO A 189 162.600 166.692 182.946 1.00 67.65 H +ATOM 2465 HG3 PRO A 189 162.116 165.251 183.426 1.00 67.65 H +ATOM 2466 HD2 PRO A 189 160.579 166.774 182.043 1.00 59.18 H +ATOM 2467 HD3 PRO A 189 159.975 165.743 183.114 1.00 59.18 H +ATOM 2468 N ASP A 190 162.379 169.782 185.728 1.00 58.68 N +ATOM 2469 CA ASP A 190 163.177 170.996 185.637 1.00 57.60 C +ATOM 2470 C ASP A 190 164.551 170.717 185.024 1.00 48.73 C +ATOM 2471 O ASP A 190 165.277 169.855 185.514 1.00 55.77 O +ATOM 2472 CB ASP A 190 163.343 171.617 187.024 1.00 54.95 C +ATOM 2473 CG ASP A 190 164.309 172.777 187.030 1.00 57.65 C +ATOM 2474 OD1 ASP A 190 164.357 173.517 186.026 1.00 67.82 O +ATOM 2475 OD2 ASP A 190 165.024 172.947 188.036 1.00 52.07 O +ATOM 2476 H ASP A 190 162.239 169.517 186.534 1.00 70.41 H +ATOM 2477 HA ASP A 190 162.718 171.637 185.072 1.00 69.12 H +ATOM 2478 HB2 ASP A 190 162.482 171.941 187.330 1.00 65.94 H +ATOM 2479 HB3 ASP A 190 163.680 170.942 187.634 1.00 65.94 H +ATOM 2480 N PRO A 191 164.920 171.443 183.951 1.00 52.86 N +ATOM 2481 CA PRO A 191 166.255 171.241 183.370 1.00 49.91 C +ATOM 2482 C PRO A 191 167.399 171.686 184.282 1.00 47.37 C +ATOM 2483 O PRO A 191 168.511 171.181 184.132 1.00 46.13 O +ATOM 2484 CB PRO A 191 166.215 172.093 182.095 1.00 61.41 C +ATOM 2485 CG PRO A 191 165.110 173.058 182.300 1.00 59.56 C +ATOM 2486 CD PRO A 191 164.101 172.352 183.131 1.00 58.78 C +ATOM 2487 HA PRO A 191 166.380 170.310 183.129 1.00 59.90 H +ATOM 2488 HB2 PRO A 191 167.059 172.558 181.987 1.00 73.70 H +ATOM 2489 HB3 PRO A 191 166.035 171.525 181.329 1.00 73.70 H +ATOM 2490 HG2 PRO A 191 165.446 173.841 182.763 1.00 71.47 H +ATOM 2491 HG3 PRO A 191 164.732 173.305 181.442 1.00 71.47 H +ATOM 2492 HD2 PRO A 191 163.626 172.982 183.696 1.00 70.54 H +ATOM 2493 HD3 PRO A 191 163.493 171.846 182.570 1.00 70.54 H +ATOM 2494 N GLN A 192 167.140 172.608 185.204 1.00 52.66 N +ATOM 2495 CA GLN A 192 168.164 173.040 186.153 1.00 42.67 C +ATOM 2496 C GLN A 192 168.370 172.002 187.251 1.00 43.82 C +ATOM 2497 O GLN A 192 169.262 172.140 188.087 1.00 43.63 O +ATOM 2498 CB GLN A 192 167.802 174.389 186.775 1.00 41.49 C +ATOM 2499 CG GLN A 192 167.913 175.556 185.809 1.00 48.04 C +ATOM 2500 CD GLN A 192 167.786 176.903 186.490 1.00 43.96 C +ATOM 2501 OE1 GLN A 192 167.014 177.756 186.056 1.00 47.90 O +ATOM 2502 NE2 GLN A 192 168.556 177.109 187.552 1.00 42.69 N +ATOM 2503 H GLN A 192 166.380 173.000 185.302 1.00 63.19 H +ATOM 2504 HA GLN A 192 169.004 173.145 185.681 1.00 51.20 H +ATOM 2505 HB2 GLN A 192 166.886 174.352 187.091 1.00 49.79 H +ATOM 2506 HB3 GLN A 192 168.400 174.561 187.518 1.00 49.79 H +ATOM 2507 HG2 GLN A 192 168.778 175.522 185.373 1.00 57.65 H +ATOM 2508 HG3 GLN A 192 167.205 175.487 185.149 1.00 57.65 H +ATOM 2509 HE21 GLN A 192 169.093 176.492 187.820 1.00 51.23 H +ATOM 2510 HE22 GLN A 192 168.519 177.859 187.971 1.00 51.23 H +ATOM 2511 N GLY A 193 167.536 170.967 187.251 1.00 42.78 N +ATOM 2512 CA GLY A 193 167.711 169.849 188.160 1.00 43.13 C +ATOM 2513 C GLY A 193 167.181 170.078 189.565 1.00 44.39 C +ATOM 2514 O GLY A 193 167.572 169.364 190.487 1.00 38.53 O +ATOM 2515 H GLY A 193 166.856 170.891 186.729 1.00 51.33 H +ATOM 2516 HA2 GLY A 193 167.261 169.072 187.793 1.00 51.75 H +ATOM 2517 HA3 GLY A 193 168.657 169.644 188.227 1.00 51.75 H +ATOM 2518 N SER A 194 166.295 171.057 189.735 1.00 37.60 N +ATOM 2519 CA SER A 194 165.733 171.354 191.052 1.00 39.15 C +ATOM 2520 C SER A 194 165.037 170.125 191.623 1.00 43.80 C +ATOM 2521 O SER A 194 164.348 169.408 190.900 1.00 45.53 O +ATOM 2522 CB SER A 194 164.746 172.522 190.978 1.00 38.56 C +ATOM 2523 OG SER A 194 165.350 173.680 190.430 1.00 38.74 O +ATOM 2524 H SER A 194 166.002 171.564 189.104 1.00 45.12 H +ATOM 2525 HA SER A 194 166.451 171.603 191.655 1.00 46.98 H +ATOM 2526 HB2 SER A 194 163.997 172.264 190.418 1.00 46.28 H +ATOM 2527 HB3 SER A 194 164.433 172.725 191.873 1.00 46.28 H +ATOM 2528 HG SER A 194 165.624 173.520 189.652 1.00 46.49 H +ATOM 2529 N ASN A 195 165.226 169.887 192.917 1.00 35.41 N +ATOM 2530 CA ASN A 195 164.655 168.720 193.576 1.00 34.99 C +ATOM 2531 C ASN A 195 163.585 169.108 194.598 1.00 36.22 C +ATOM 2532 O ASN A 195 163.161 170.260 194.651 1.00 36.64 O +ATOM 2533 CB ASN A 195 165.764 167.897 194.238 1.00 34.75 C +ATOM 2534 CG ASN A 195 166.606 168.708 195.198 1.00 37.72 C +ATOM 2535 OD1 ASN A 195 166.225 169.800 195.614 1.00 41.78 O +ATOM 2536 ND2 ASN A 195 167.764 168.172 195.557 1.00 37.78 N +ATOM 2537 H ASN A 195 165.685 170.392 193.439 1.00 42.50 H +ATOM 2538 HA ASN A 195 164.232 168.160 192.905 1.00 41.99 H +ATOM 2539 HB2 ASN A 195 165.362 167.168 194.736 1.00 41.70 H +ATOM 2540 HB3 ASN A 195 166.350 167.545 193.550 1.00 41.70 H +ATOM 2541 HD21 ASN A 195 168.282 168.591 196.100 1.00 45.33 H +ATOM 2542 HD22 ASN A 195 167.997 167.404 195.246 1.00 45.33 H +ATOM 2543 N MET A 196 163.139 168.145 195.397 1.00 38.71 N +ATOM 2544 CA MET A 196 162.073 168.397 196.359 1.00 39.71 C +ATOM 2545 C MET A 196 162.589 169.119 197.597 1.00 38.54 C +ATOM 2546 O MET A 196 161.819 169.777 198.292 1.00 41.11 O +ATOM 2547 CB MET A 196 161.391 167.089 196.760 1.00 36.68 C +ATOM 2548 CG MET A 196 160.647 166.410 195.623 1.00 38.65 C +ATOM 2549 SD MET A 196 159.482 167.497 194.775 1.00 44.51 S +ATOM 2550 CE MET A 196 158.315 167.845 196.081 1.00 51.81 C +ATOM 2551 H MET A 196 163.436 167.338 195.402 1.00 46.45 H +ATOM 2552 HA MET A 196 161.403 168.956 195.935 1.00 47.65 H +ATOM 2553 HB2 MET A 196 162.066 166.472 197.083 1.00 44.02 H +ATOM 2554 HB3 MET A 196 160.751 167.274 197.464 1.00 44.02 H +ATOM 2555 HG2 MET A 196 161.291 166.096 194.969 1.00 46.39 H +ATOM 2556 HG3 MET A 196 160.148 165.659 195.980 1.00 46.39 H +ATOM 2557 HE1 MET A 196 157.625 168.434 195.739 1.00 62.17 H +ATOM 2558 HE2 MET A 196 157.920 167.012 196.382 1.00 62.17 H +ATOM 2559 HE3 MET A 196 158.782 168.274 196.816 1.00 62.17 H +ATOM 2560 N MET A 197 163.883 169.000 197.875 1.00 33.53 N +ATOM 2561 CA MET A 197 164.492 169.806 198.925 1.00 38.02 C +ATOM 2562 C MET A 197 164.328 171.277 198.568 1.00 35.69 C +ATOM 2563 O MET A 197 164.040 172.108 199.426 1.00 39.84 O +ATOM 2564 CB MET A 197 165.973 169.464 199.108 1.00 34.76 C +ATOM 2565 CG MET A 197 166.237 168.105 199.740 1.00 35.02 C +ATOM 2566 SD MET A 197 165.642 167.952 201.437 1.00 37.23 S +ATOM 2567 CE MET A 197 166.714 169.106 202.298 1.00 38.28 C +ATOM 2568 H MET A 197 164.426 168.466 197.475 1.00 40.23 H +ATOM 2569 HA MET A 197 164.037 169.630 199.764 1.00 45.62 H +ATOM 2570 HB2 MET A 197 166.401 169.471 198.238 1.00 41.71 H +ATOM 2571 HB3 MET A 197 166.378 170.136 199.676 1.00 41.71 H +ATOM 2572 HG2 MET A 197 165.796 167.423 199.210 1.00 42.03 H +ATOM 2573 HG3 MET A 197 167.194 167.946 199.748 1.00 42.03 H +ATOM 2574 HE1 MET A 197 167.635 168.824 202.185 1.00 45.93 H +ATOM 2575 HE2 MET A 197 166.590 169.992 201.923 1.00 45.93 H +ATOM 2576 HE3 MET A 197 166.482 169.109 203.240 1.00 45.93 H +ATOM 2577 N PHE A 198 164.500 171.590 197.289 1.00 37.53 N +ATOM 2578 CA PHE A 198 164.317 172.952 196.803 1.00 35.42 C +ATOM 2579 C PHE A 198 162.851 173.369 196.856 1.00 32.25 C +ATOM 2580 O PHE A 198 162.529 174.472 197.291 1.00 25.70 O +ATOM 2581 CB PHE A 198 164.844 173.089 195.373 1.00 31.59 C +ATOM 2582 CG PHE A 198 164.555 174.425 194.748 1.00 24.67 C +ATOM 2583 CD1 PHE A 198 165.366 175.514 195.011 1.00 29.40 C +ATOM 2584 CD2 PHE A 198 163.471 174.591 193.904 1.00 26.55 C +ATOM 2585 CE1 PHE A 198 165.103 176.744 194.441 1.00 33.37 C +ATOM 2586 CE2 PHE A 198 163.202 175.820 193.332 1.00 30.62 C +ATOM 2587 CZ PHE A 198 164.019 176.897 193.601 1.00 31.75 C +ATOM 2588 H PHE A 198 164.725 171.028 196.678 1.00 45.03 H +ATOM 2589 HA PHE A 198 164.821 173.559 197.368 1.00 42.50 H +ATOM 2590 HB2 PHE A 198 165.806 172.967 195.381 1.00 37.91 H +ATOM 2591 HB3 PHE A 198 164.430 172.408 194.820 1.00 37.91 H +ATOM 2592 HD1 PHE A 198 166.097 175.417 195.577 1.00 35.29 H +ATOM 2593 HD2 PHE A 198 162.917 173.868 193.720 1.00 31.86 H +ATOM 2594 HE1 PHE A 198 165.655 177.469 194.624 1.00 40.04 H +ATOM 2595 HE2 PHE A 198 162.472 175.919 192.765 1.00 36.75 H +ATOM 2596 HZ PHE A 198 163.840 177.725 193.216 1.00 38.09 H +ATOM 2597 N ALA A 199 161.970 172.480 196.409 1.00 33.61 N +ATOM 2598 CA ALA A 199 160.545 172.781 196.327 1.00 38.72 C +ATOM 2599 C ALA A 199 159.949 173.063 197.703 1.00 37.80 C +ATOM 2600 O ALA A 199 159.225 174.041 197.883 1.00 33.32 O +ATOM 2601 CB ALA A 199 159.799 171.633 195.655 1.00 39.67 C +ATOM 2602 H ALA A 199 162.174 171.687 196.145 1.00 40.33 H +ATOM 2603 HA ALA A 199 160.424 173.574 195.782 1.00 46.47 H +ATOM 2604 HB1 ALA A 199 158.856 171.853 195.611 1.00 47.61 H +ATOM 2605 HB2 ALA A 199 160.153 171.508 194.760 1.00 47.61 H +ATOM 2606 HB3 ALA A 199 159.927 170.825 196.177 1.00 47.61 H +ATOM 2607 N PHE A 200 160.257 172.210 198.672 1.00 34.83 N +ATOM 2608 CA PHE A 200 159.697 172.360 200.009 1.00 38.85 C +ATOM 2609 C PHE A 200 160.396 173.459 200.798 1.00 36.79 C +ATOM 2610 O PHE A 200 159.796 174.054 201.691 1.00 34.49 O +ATOM 2611 CB PHE A 200 159.762 171.036 200.772 1.00 39.62 C +ATOM 2612 CG PHE A 200 158.725 170.041 200.336 1.00 42.87 C +ATOM 2613 CD1 PHE A 200 157.380 170.362 200.382 1.00 43.95 C +ATOM 2614 CD2 PHE A 200 159.093 168.786 199.886 1.00 46.81 C +ATOM 2615 CE1 PHE A 200 156.420 169.454 199.981 1.00 46.04 C +ATOM 2616 CE2 PHE A 200 158.135 167.870 199.486 1.00 54.21 C +ATOM 2617 CZ PHE A 200 156.798 168.207 199.533 1.00 47.77 C +ATOM 2618 H PHE A 200 160.786 171.538 198.582 1.00 41.79 H +ATOM 2619 HA PHE A 200 158.762 172.606 199.927 1.00 46.61 H +ATOM 2620 HB2 PHE A 200 160.635 170.637 200.633 1.00 47.54 H +ATOM 2621 HB3 PHE A 200 159.627 171.212 201.717 1.00 47.54 H +ATOM 2622 HD1 PHE A 200 157.119 171.203 200.682 1.00 52.74 H +ATOM 2623 HD2 PHE A 200 159.993 168.555 199.851 1.00 56.17 H +ATOM 2624 HE1 PHE A 200 155.520 169.683 200.016 1.00 55.25 H +ATOM 2625 HE2 PHE A 200 158.393 167.030 199.183 1.00 65.05 H +ATOM 2626 HZ PHE A 200 156.153 167.593 199.265 1.00 57.33 H +ATOM 2627 N PHE A 201 161.656 173.738 200.476 1.00 32.77 N +ATOM 2628 CA PHE A 201 162.331 174.875 201.088 1.00 34.14 C +ATOM 2629 C PHE A 201 161.658 176.161 200.631 1.00 37.27 C +ATOM 2630 O PHE A 201 161.405 177.059 201.431 1.00 32.35 O +ATOM 2631 CB PHE A 201 163.819 174.915 200.737 1.00 31.08 C +ATOM 2632 CG PHE A 201 164.571 176.000 201.454 1.00 32.71 C +ATOM 2633 CD1 PHE A 201 164.621 177.284 200.938 1.00 35.91 C +ATOM 2634 CD2 PHE A 201 165.211 175.741 202.653 1.00 36.35 C +ATOM 2635 CE1 PHE A 201 165.303 178.282 201.600 1.00 31.69 C +ATOM 2636 CE2 PHE A 201 165.895 176.737 203.318 1.00 25.11 C +ATOM 2637 CZ PHE A 201 165.940 178.008 202.790 1.00 31.24 C +ATOM 2638 H PHE A 201 162.134 173.293 199.917 1.00 39.32 H +ATOM 2639 HA PHE A 201 162.248 174.815 202.052 1.00 40.97 H +ATOM 2640 HB2 PHE A 201 164.221 174.066 200.978 1.00 37.29 H +ATOM 2641 HB3 PHE A 201 163.913 175.067 199.784 1.00 37.29 H +ATOM 2642 HD1 PHE A 201 164.192 177.474 200.135 1.00 43.09 H +ATOM 2643 HD2 PHE A 201 165.183 174.884 203.013 1.00 43.62 H +ATOM 2644 HE1 PHE A 201 165.334 179.140 201.243 1.00 38.03 H +ATOM 2645 HE2 PHE A 201 166.325 176.551 204.121 1.00 30.13 H +ATOM 2646 HZ PHE A 201 166.402 178.681 203.237 1.00 37.48 H +ATOM 2647 N ALA A 202 161.374 176.241 199.335 1.00 30.76 N +ATOM 2648 CA ALA A 202 160.708 177.404 198.770 1.00 32.15 C +ATOM 2649 C ALA A 202 159.378 177.645 199.470 1.00 34.04 C +ATOM 2650 O ALA A 202 159.091 178.756 199.907 1.00 36.70 O +ATOM 2651 CB ALA A 202 160.497 177.223 197.278 1.00 32.21 C +ATOM 2652 H ALA A 202 161.560 175.630 198.760 1.00 36.92 H +ATOM 2653 HA ALA A 202 161.266 178.186 198.904 1.00 38.58 H +ATOM 2654 HB1 ALA A 202 160.053 178.010 196.924 1.00 38.65 H +ATOM 2655 HB2 ALA A 202 161.360 177.110 196.849 1.00 38.65 H +ATOM 2656 HB3 ALA A 202 159.948 176.438 197.130 1.00 38.65 H +ATOM 2657 N GLN A 203 158.576 176.593 199.583 1.00 36.08 N +ATOM 2658 CA GLN A 203 157.265 176.695 200.206 1.00 38.72 C +ATOM 2659 C GLN A 203 157.383 177.055 201.682 1.00 40.97 C +ATOM 2660 O GLN A 203 156.700 177.954 202.164 1.00 38.85 O +ATOM 2661 CB GLN A 203 156.493 175.384 200.055 1.00 41.62 C +ATOM 2662 CG GLN A 203 155.062 175.463 200.560 1.00 47.36 C +ATOM 2663 CD GLN A 203 154.359 174.122 200.555 1.00 48.73 C +ATOM 2664 OE1 GLN A 203 154.986 173.076 200.398 1.00 47.63 O +ATOM 2665 NE2 GLN A 203 153.045 174.147 200.730 1.00 54.85 N +ATOM 2666 H GLN A 203 158.770 175.803 199.303 1.00 43.30 H +ATOM 2667 HA GLN A 203 156.758 177.395 199.765 1.00 46.47 H +ATOM 2668 HB2 GLN A 203 156.464 175.144 199.115 1.00 49.95 H +ATOM 2669 HB3 GLN A 203 156.948 174.692 200.558 1.00 49.95 H +ATOM 2670 HG2 GLN A 203 155.067 175.795 201.471 1.00 56.83 H +ATOM 2671 HG3 GLN A 203 154.559 176.066 199.991 1.00 56.83 H +ATOM 2672 HE21 GLN A 203 152.641 174.898 200.839 1.00 65.82 H +ATOM 2673 HE22 GLN A 203 152.598 173.413 200.736 1.00 65.82 H +ATOM 2674 N HIS A 204 158.248 176.342 202.395 1.00 36.20 N +ATOM 2675 CA HIS A 204 158.439 176.570 203.820 1.00 27.18 C +ATOM 2676 C HIS A 204 158.907 177.995 204.092 1.00 34.26 C +ATOM 2677 O HIS A 204 158.335 178.701 204.924 1.00 29.65 O +ATOM 2678 CB HIS A 204 159.450 175.575 204.389 1.00 30.85 C +ATOM 2679 CG HIS A 204 159.660 175.700 205.865 1.00 30.46 C +ATOM 2680 ND1 HIS A 204 160.742 176.355 206.412 1.00 27.74 N +ATOM 2681 CD2 HIS A 204 158.924 175.252 206.909 1.00 28.08 C +ATOM 2682 CE1 HIS A 204 160.663 176.306 207.730 1.00 28.88 C +ATOM 2683 NE2 HIS A 204 159.568 175.644 208.057 1.00 27.31 N +ATOM 2684 H HIS A 204 158.740 175.714 202.072 1.00 43.44 H +ATOM 2685 HA HIS A 204 157.595 176.437 204.279 1.00 32.62 H +ATOM 2686 HB2 HIS A 204 159.137 174.674 204.209 1.00 37.02 H +ATOM 2687 HB3 HIS A 204 160.306 175.717 203.955 1.00 37.02 H +ATOM 2688 HD1 HIS A 204 161.370 176.736 205.966 1.00 33.29 H +ATOM 2689 HD2 HIS A 204 158.130 174.772 206.859 1.00 33.69 H +ATOM 2690 HE1 HIS A 204 161.273 176.676 208.325 1.00 34.66 H +ATOM 2691 N PHE A 205 159.945 178.412 203.378 1.00 29.52 N +ATOM 2692 CA PHE A 205 160.566 179.709 203.608 1.00 25.17 C +ATOM 2693 C PHE A 205 159.642 180.881 203.283 1.00 25.24 C +ATOM 2694 O PHE A 205 159.528 181.817 204.071 1.00 22.73 O +ATOM 2695 CB PHE A 205 161.849 179.825 202.786 1.00 27.30 C +ATOM 2696 CG PHE A 205 162.340 181.229 202.630 1.00 24.74 C +ATOM 2697 CD1 PHE A 205 162.878 181.912 203.703 1.00 25.41 C +ATOM 2698 CD2 PHE A 205 162.265 181.864 201.405 1.00 25.40 C +ATOM 2699 CE1 PHE A 205 163.329 183.207 203.554 1.00 28.42 C +ATOM 2700 CE2 PHE A 205 162.716 183.154 201.253 1.00 21.63 C +ATOM 2701 CZ PHE A 205 163.248 183.826 202.327 1.00 24.48 C +ATOM 2702 H PHE A 205 160.313 177.956 202.748 1.00 35.42 H +ATOM 2703 HA PHE A 205 160.808 179.776 204.544 1.00 30.21 H +ATOM 2704 HB2 PHE A 205 162.547 179.313 203.223 1.00 32.76 H +ATOM 2705 HB3 PHE A 205 161.686 179.467 201.899 1.00 32.76 H +ATOM 2706 HD1 PHE A 205 162.934 181.497 204.533 1.00 30.50 H +ATOM 2707 HD2 PHE A 205 161.906 181.414 200.675 1.00 30.48 H +ATOM 2708 HE1 PHE A 205 163.690 183.661 204.281 1.00 34.10 H +ATOM 2709 HE2 PHE A 205 162.660 183.571 200.424 1.00 25.95 H +ATOM 2710 HZ PHE A 205 163.552 184.699 202.225 1.00 29.38 H +ATOM 2711 N THR A 206 158.985 180.838 202.129 1.00 29.94 N +ATOM 2712 CA THR A 206 158.159 181.963 201.703 1.00 28.57 C +ATOM 2713 C THR A 206 156.852 182.062 202.484 1.00 29.80 C +ATOM 2714 O THR A 206 156.242 183.127 202.546 1.00 25.92 O +ATOM 2715 CB THR A 206 157.820 181.885 200.201 1.00 30.83 C +ATOM 2716 OG1 THR A 206 157.108 180.672 199.922 1.00 32.69 O +ATOM 2717 CG2 THR A 206 159.084 181.944 199.358 1.00 33.45 C +ATOM 2718 H THR A 206 159.001 180.177 201.579 1.00 35.93 H +ATOM 2719 HA THR A 206 158.653 182.784 201.851 1.00 34.28 H +ATOM 2720 HB THR A 206 157.263 182.642 199.961 1.00 37.00 H +ATOM 2721 HG1 THR A 206 157.579 180.008 200.131 1.00 39.22 H +ATOM 2722 HG21 THR A 206 158.857 181.894 198.417 1.00 40.14 H +ATOM 2723 HG22 THR A 206 159.555 182.776 199.526 1.00 40.14 H +ATOM 2724 HG23 THR A 206 159.667 181.202 199.582 1.00 40.14 H +ATOM 2725 N HIS A 207 156.422 180.963 203.095 1.00 34.28 N +ATOM 2726 CA HIS A 207 155.146 180.956 203.798 1.00 38.26 C +ATOM 2727 C HIS A 207 155.220 181.647 205.158 1.00 32.06 C +ATOM 2728 O HIS A 207 154.238 181.671 205.900 1.00 30.99 O +ATOM 2729 CB HIS A 207 154.635 179.526 203.960 1.00 37.13 C +ATOM 2730 CG HIS A 207 153.758 179.079 202.834 1.00 46.23 C +ATOM 2731 ND1 HIS A 207 154.158 179.121 201.517 1.00 47.74 N +ATOM 2732 CD2 HIS A 207 152.491 178.602 202.827 1.00 42.98 C +ATOM 2733 CE1 HIS A 207 153.179 178.679 200.748 1.00 49.36 C +ATOM 2734 NE2 HIS A 207 152.156 178.358 201.518 1.00 70.01 N +ATOM 2735 H HIS A 207 156.846 180.215 203.116 1.00 41.14 H +ATOM 2736 HA HIS A 207 154.498 181.438 203.262 1.00 45.92 H +ATOM 2737 HB2 HIS A 207 155.394 178.924 204.004 1.00 44.55 H +ATOM 2738 HB3 HIS A 207 154.120 179.467 204.780 1.00 44.55 H +ATOM 2739 HD2 HIS A 207 151.950 178.461 203.571 1.00 51.58 H +ATOM 2740 HE1 HIS A 207 153.206 178.607 199.821 1.00 59.23 H +ATOM 2741 HE2 HIS A 207 151.403 178.045 201.245 1.00 84.01 H +ATOM 2742 N GLN A 208 156.369 182.231 205.481 1.00 24.07 N +ATOM 2743 CA GLN A 208 156.453 183.077 206.660 1.00 25.52 C +ATOM 2744 C GLN A 208 156.004 184.503 206.335 1.00 26.02 C +ATOM 2745 O GLN A 208 155.509 185.204 207.215 1.00 29.98 O +ATOM 2746 CB GLN A 208 157.868 183.074 207.241 1.00 28.41 C +ATOM 2747 CG GLN A 208 158.878 183.918 206.499 1.00 23.60 C +ATOM 2748 CD GLN A 208 160.285 183.678 207.001 1.00 21.20 C +ATOM 2749 OE1 GLN A 208 160.692 184.223 208.023 1.00 25.86 O +ATOM 2750 NE2 GLN A 208 161.033 182.846 206.290 1.00 23.98 N +ATOM 2751 H GLN A 208 157.103 182.154 205.039 1.00 28.88 H +ATOM 2752 HA GLN A 208 155.854 182.727 207.338 1.00 30.63 H +ATOM 2753 HB2 GLN A 208 157.826 183.404 208.152 1.00 34.10 H +ATOM 2754 HB3 GLN A 208 158.196 182.161 207.243 1.00 34.10 H +ATOM 2755 HG2 GLN A 208 158.850 183.693 205.556 1.00 28.32 H +ATOM 2756 HG3 GLN A 208 158.666 184.855 206.627 1.00 28.32 H +ATOM 2757 HE21 GLN A 208 160.710 182.474 205.585 1.00 28.78 H +ATOM 2758 HE22 GLN A 208 161.840 182.677 206.535 1.00 28.78 H +ATOM 2759 N PHE A 209 156.161 184.929 205.080 1.00 21.62 N +ATOM 2760 CA PHE A 209 155.686 186.256 204.672 1.00 22.65 C +ATOM 2761 C PHE A 209 154.544 186.215 203.652 1.00 18.82 C +ATOM 2762 O PHE A 209 153.943 187.246 203.361 1.00 26.20 O +ATOM 2763 CB PHE A 209 156.837 187.118 204.130 1.00 25.97 C +ATOM 2764 CG PHE A 209 157.749 186.423 203.158 1.00 24.20 C +ATOM 2765 CD1 PHE A 209 157.374 186.233 201.840 1.00 26.04 C +ATOM 2766 CD2 PHE A 209 159.011 186.015 203.553 1.00 25.32 C +ATOM 2767 CE1 PHE A 209 158.229 185.617 200.946 1.00 29.50 C +ATOM 2768 CE2 PHE A 209 159.866 185.401 202.663 1.00 26.48 C +ATOM 2769 CZ PHE A 209 159.477 185.207 201.357 1.00 19.76 C +ATOM 2770 H PHE A 209 156.534 184.476 204.452 1.00 25.94 H +ATOM 2771 HA PHE A 209 155.344 186.706 205.461 1.00 27.18 H +ATOM 2772 HB2 PHE A 209 156.458 187.888 203.677 1.00 31.17 H +ATOM 2773 HB3 PHE A 209 157.378 187.415 204.878 1.00 31.17 H +ATOM 2774 HD1 PHE A 209 156.533 186.511 201.556 1.00 31.24 H +ATOM 2775 HD2 PHE A 209 159.281 186.146 204.433 1.00 30.38 H +ATOM 2776 HE1 PHE A 209 157.964 185.485 200.064 1.00 35.40 H +ATOM 2777 HE2 PHE A 209 160.708 185.123 202.944 1.00 31.77 H +ATOM 2778 HZ PHE A 209 160.051 184.789 200.757 1.00 23.71 H +ATOM 2779 N PHE A 210 154.235 185.038 203.123 1.00 22.27 N +ATOM 2780 CA PHE A 210 153.004 184.851 202.359 1.00 28.35 C +ATOM 2781 C PHE A 210 151.978 184.146 203.243 1.00 38.11 C +ATOM 2782 O PHE A 210 151.907 182.917 203.273 1.00 35.35 O +ATOM 2783 CB PHE A 210 153.249 184.047 201.084 1.00 34.54 C +ATOM 2784 CG PHE A 210 154.162 184.720 200.097 1.00 30.61 C +ATOM 2785 CD1 PHE A 210 154.181 186.100 199.964 1.00 30.26 C +ATOM 2786 CD2 PHE A 210 154.995 183.966 199.291 1.00 33.05 C +ATOM 2787 CE1 PHE A 210 155.021 186.710 199.050 1.00 24.95 C +ATOM 2788 CE2 PHE A 210 155.838 184.574 198.375 1.00 34.03 C +ATOM 2789 CZ PHE A 210 155.850 185.946 198.257 1.00 28.05 C +ATOM 2790 H PHE A 210 154.720 184.331 203.190 1.00 26.72 H +ATOM 2791 HA PHE A 210 152.647 185.718 202.109 1.00 34.02 H +ATOM 2792 HB2 PHE A 210 153.649 183.196 201.324 1.00 41.45 H +ATOM 2793 HB3 PHE A 210 152.398 183.895 200.643 1.00 41.45 H +ATOM 2794 HD1 PHE A 210 153.626 186.622 200.497 1.00 36.31 H +ATOM 2795 HD2 PHE A 210 154.992 183.039 199.368 1.00 39.66 H +ATOM 2796 HE1 PHE A 210 155.028 187.637 198.972 1.00 29.94 H +ATOM 2797 HE2 PHE A 210 156.396 184.056 197.841 1.00 40.84 H +ATOM 2798 HZ PHE A 210 156.415 186.355 197.642 1.00 33.66 H +ATOM 2799 N LYS A 211 151.200 184.941 203.969 1.00 34.91 N +ATOM 2800 CA LYS A 211 150.207 184.424 204.905 1.00 34.08 C +ATOM 2801 C LYS A 211 148.868 185.093 204.655 1.00 36.06 C +ATOM 2802 O LYS A 211 148.358 185.832 205.498 1.00 32.58 O +ATOM 2803 CB LYS A 211 150.659 184.654 206.347 1.00 33.17 C +ATOM 2804 CG LYS A 211 151.934 183.913 206.711 1.00 40.39 C +ATOM 2805 CD LYS A 211 152.568 184.477 207.966 1.00 37.05 C +ATOM 2806 CE LYS A 211 151.687 184.272 209.178 1.00 34.68 C +ATOM 2807 NZ LYS A 211 152.269 184.906 210.382 1.00 37.98 N +ATOM 2808 H LYS A 211 151.227 185.800 203.936 1.00 41.89 H +ATOM 2809 HA LYS A 211 150.102 183.469 204.767 1.00 40.90 H +ATOM 2810 HB2 LYS A 211 150.819 185.602 206.477 1.00 39.81 H +ATOM 2811 HB3 LYS A 211 149.959 184.352 206.946 1.00 39.81 H +ATOM 2812 HG2 LYS A 211 151.727 182.979 206.868 1.00 48.47 H +ATOM 2813 HG3 LYS A 211 152.571 183.998 205.985 1.00 48.47 H +ATOM 2814 HD2 LYS A 211 153.413 184.028 208.127 1.00 44.46 H +ATOM 2815 HD3 LYS A 211 152.711 185.429 207.852 1.00 44.46 H +ATOM 2816 HE2 LYS A 211 150.819 184.672 209.013 1.00 41.62 H +ATOM 2817 HE3 LYS A 211 151.594 183.322 209.349 1.00 41.62 H +ATOM 2818 HZ1 LYS A 211 151.736 184.774 211.082 1.00 45.58 H +ATOM 2819 HZ2 LYS A 211 153.068 184.553 210.555 1.00 45.58 H +ATOM 2820 HZ3 LYS A 211 152.363 185.781 210.250 1.00 45.58 H +ATOM 2821 N THR A 212 148.314 184.828 203.479 1.00 38.50 N +ATOM 2822 CA THR A 212 147.073 185.448 203.044 1.00 38.89 C +ATOM 2823 C THR A 212 145.959 185.246 204.075 1.00 47.28 C +ATOM 2824 O THR A 212 145.721 184.132 204.538 1.00 43.80 O +ATOM 2825 CB THR A 212 146.628 184.877 201.687 1.00 48.08 C +ATOM 2826 OG1 THR A 212 147.771 184.732 200.825 1.00 56.07 O +ATOM 2827 CG2 THR A 212 145.584 185.786 201.041 1.00 40.19 C +ATOM 2828 H THR A 212 148.647 184.282 202.904 1.00 46.20 H +ATOM 2829 HA THR A 212 147.215 186.401 202.938 1.00 46.67 H +ATOM 2830 HB THR A 212 146.225 184.007 201.827 1.00 57.69 H +ATOM 2831 HG21 THR A 212 145.310 185.418 200.186 1.00 48.23 H +ATOM 2832 HG22 THR A 212 144.807 185.859 201.616 1.00 48.23 H +ATOM 2833 HG23 THR A 212 145.956 186.670 200.899 1.00 48.23 H +ATOM 2834 N ASP A 213 145.295 186.337 204.443 1.00 44.87 N +ATOM 2835 CA ASP A 213 144.189 186.276 205.392 1.00 55.05 C +ATOM 2836 C ASP A 213 142.871 186.132 204.637 1.00 48.43 C +ATOM 2837 O ASP A 213 142.250 187.119 204.249 1.00 48.66 O +ATOM 2838 CB ASP A 213 144.176 187.519 206.281 1.00 57.66 C +ATOM 2839 CG ASP A 213 143.153 187.426 207.395 1.00 56.26 C +ATOM 2840 OD1 ASP A 213 142.534 186.354 207.548 1.00 57.00 O +ATOM 2841 OD2 ASP A 213 142.978 188.419 208.128 1.00 52.75 O +ATOM 2842 H ASP A 213 145.466 187.129 204.156 1.00 53.85 H +ATOM 2843 HA ASP A 213 144.299 185.497 205.961 1.00 66.06 H +ATOM 2844 HB2 ASP A 213 145.051 187.628 206.685 1.00 69.20 H +ATOM 2845 HB3 ASP A 213 143.961 188.294 205.739 1.00 69.20 H +ATOM 2846 N HIS A 214 142.445 184.892 204.438 1.00 57.86 N +ATOM 2847 CA HIS A 214 141.336 184.604 203.538 1.00 64.23 C +ATOM 2848 C HIS A 214 139.961 184.925 204.123 1.00 60.77 C +ATOM 2849 O HIS A 214 138.989 185.029 203.378 1.00 74.02 O +ATOM 2850 CB HIS A 214 141.391 183.137 203.113 1.00 52.75 C +ATOM 2851 CG HIS A 214 142.488 182.839 202.140 1.00 65.33 C +ATOM 2852 ND1 HIS A 214 142.431 183.219 200.816 1.00 69.47 N +ATOM 2853 CD2 HIS A 214 143.673 182.204 202.297 1.00 61.56 C +ATOM 2854 CE1 HIS A 214 143.532 182.828 200.200 1.00 75.95 C +ATOM 2855 NE2 HIS A 214 144.302 182.209 201.076 1.00 72.23 N +ATOM 2856 H HIS A 214 142.782 184.196 204.814 1.00 69.43 H +ATOM 2857 HA HIS A 214 141.444 185.143 202.739 1.00 77.07 H +ATOM 2858 HB2 HIS A 214 141.533 182.587 203.899 1.00 63.30 H +ATOM 2859 HB3 HIS A 214 140.549 182.901 202.693 1.00 63.30 H +ATOM 2860 HD2 HIS A 214 143.999 181.831 203.085 1.00 73.87 H +ATOM 2861 HE1 HIS A 214 143.731 182.965 199.302 1.00 91.14 H +ATOM 2862 HE2 HIS A 214 145.073 181.866 200.909 1.00 86.68 H +ATOM 2863 N LYS A 215 139.869 185.092 205.439 1.00 61.84 N +ATOM 2864 CA LYS A 215 138.601 185.494 206.039 1.00 72.75 C +ATOM 2865 C LYS A 215 138.382 186.990 205.816 1.00 81.05 C +ATOM 2866 O LYS A 215 137.270 187.494 205.974 1.00 70.27 O +ATOM 2867 CB LYS A 215 138.552 185.149 207.535 1.00 77.59 C +ATOM 2868 CG LYS A 215 139.273 186.116 208.467 1.00 76.39 C +ATOM 2869 CD LYS A 215 139.074 185.708 209.923 1.00 84.66 C +ATOM 2870 CE LYS A 215 139.826 186.626 210.878 1.00 92.97 C +ATOM 2871 NZ LYS A 215 139.473 186.359 212.302 1.00 99.46 N +ATOM 2872 H LYS A 215 140.513 184.980 205.998 1.00 74.21 H +ATOM 2873 HA LYS A 215 137.879 185.018 205.599 1.00 87.30 H +ATOM 2874 HB2 LYS A 215 137.622 185.120 207.811 1.00 93.11 H +ATOM 2875 HB3 LYS A 215 138.952 184.274 207.659 1.00 93.11 H +ATOM 2876 HG2 LYS A 215 140.224 186.103 208.273 1.00 91.67 H +ATOM 2877 HG3 LYS A 215 138.914 187.009 208.347 1.00 91.67 H +ATOM 2878 HD2 LYS A 215 138.130 185.753 210.140 1.00101.60 H +ATOM 2879 HD3 LYS A 215 139.404 184.805 210.049 1.00101.60 H +ATOM 2880 HE2 LYS A 215 140.780 186.484 210.772 1.00111.56 H +ATOM 2881 HE3 LYS A 215 139.600 187.548 210.678 1.00111.56 H +ATOM 2882 HZ1 LYS A 215 139.926 186.909 212.835 1.00119.35 H +ATOM 2883 HZ2 LYS A 215 138.601 186.487 212.428 1.00119.35 H +ATOM 2884 HZ3 LYS A 215 139.675 185.519 212.513 1.00119.35 H +ATOM 2885 N ARG A 216 139.450 187.689 205.436 1.00 77.89 N +ATOM 2886 CA ARG A 216 139.381 189.110 205.107 1.00 60.89 C +ATOM 2887 C ARG A 216 139.346 189.330 203.597 1.00 54.06 C +ATOM 2888 O ARG A 216 138.537 190.109 203.092 1.00 41.88 O +ATOM 2889 CB ARG A 216 140.574 189.851 205.705 1.00 61.30 C +ATOM 2890 CG ARG A 216 140.267 190.605 206.985 1.00 53.60 C +ATOM 2891 CD ARG A 216 141.506 191.307 207.507 1.00 59.26 C +ATOM 2892 NE ARG A 216 141.194 192.324 208.504 1.00 75.15 N +ATOM 2893 CZ ARG A 216 142.096 192.896 209.293 1.00 89.82 C +ATOM 2894 NH1 ARG A 216 141.720 193.815 210.170 1.00 96.51 N +ATOM 2895 NH2 ARG A 216 143.374 192.548 209.213 1.00 95.43 N +ATOM 2896 H ARG A 216 140.239 187.355 205.360 1.00 93.47 H +ATOM 2897 HA ARG A 216 138.571 189.485 205.486 1.00 73.07 H +ATOM 2898 HB2 ARG A 216 141.272 189.206 205.904 1.00 73.55 H +ATOM 2899 HB3 ARG A 216 140.898 190.493 205.055 1.00 73.55 H +ATOM 2900 HG2 ARG A 216 139.587 191.274 206.810 1.00 64.32 H +ATOM 2901 HG3 ARG A 216 139.961 189.981 207.662 1.00 64.32 H +ATOM 2902 HD2 ARG A 216 142.092 190.652 207.919 1.00 71.11 H +ATOM 2903 HD3 ARG A 216 141.960 191.740 206.767 1.00 71.11 H +ATOM 2904 HE ARG A 216 140.380 192.596 208.559 1.00 90.18 H +ATOM 2905 HH11 ARG A 216 140.893 194.042 210.226 1.00115.81 H +ATOM 2906 HH12 ARG A 216 142.303 194.184 210.683 1.00115.81 H +ATOM 2907 HH21 ARG A 216 143.622 191.952 208.645 1.00114.52 H +ATOM 2908 HH22 ARG A 216 143.954 192.920 209.727 1.00114.52 H +ATOM 2909 N GLY A 217 140.232 188.639 202.885 1.00 49.70 N +ATOM 2910 CA GLY A 217 140.323 188.755 201.440 1.00 50.27 C +ATOM 2911 C GLY A 217 141.744 188.551 200.950 1.00 43.42 C +ATOM 2912 O GLY A 217 142.689 188.664 201.728 1.00 39.85 O +ATOM 2913 H GLY A 217 140.799 188.089 203.225 1.00 59.64 H +ATOM 2914 HA2 GLY A 217 139.753 188.089 201.024 1.00 60.32 H +ATOM 2915 HA3 GLY A 217 140.023 189.635 201.165 1.00 60.32 H +ATOM 2916 N PRO A 218 141.906 188.255 199.650 1.00 44.93 N +ATOM 2917 CA PRO A 218 143.227 187.996 199.061 1.00 45.08 C +ATOM 2918 C PRO A 218 144.212 189.153 199.226 1.00 44.09 C +ATOM 2919 O PRO A 218 145.420 188.943 199.125 1.00 44.07 O +ATOM 2920 CB PRO A 218 142.912 187.766 197.577 1.00 43.98 C +ATOM 2921 CG PRO A 218 141.562 188.358 197.361 1.00 52.15 C +ATOM 2922 CD PRO A 218 140.833 188.169 198.645 1.00 45.80 C +ATOM 2923 HA PRO A 218 143.612 187.189 199.438 1.00 54.09 H +ATOM 2924 HB2 PRO A 218 143.574 188.216 197.029 1.00 52.78 H +ATOM 2925 HB3 PRO A 218 142.902 186.814 197.389 1.00 52.78 H +ATOM 2926 HG2 PRO A 218 141.650 189.301 197.154 1.00 62.58 H +ATOM 2927 HG3 PRO A 218 141.112 187.889 196.641 1.00 62.58 H +ATOM 2928 HD2 PRO A 218 140.187 188.881 198.776 1.00 54.96 H +ATOM 2929 HD3 PRO A 218 140.413 187.295 198.671 1.00 54.96 H +ATOM 2930 N ALA A 219 143.700 190.349 199.490 1.00 38.39 N +ATOM 2931 CA ALA A 219 144.534 191.544 199.558 1.00 39.43 C +ATOM 2932 C ALA A 219 145.184 191.742 200.927 1.00 33.74 C +ATOM 2933 O ALA A 219 145.966 192.675 201.108 1.00 31.91 O +ATOM 2934 CB ALA A 219 143.711 192.766 199.198 1.00 35.56 C +ATOM 2935 H ALA A 219 142.865 190.497 199.636 1.00 46.07 H +ATOM 2936 HA ALA A 219 145.245 191.463 198.903 1.00 47.31 H +ATOM 2937 HB1 ALA A 219 144.277 193.552 199.247 1.00 42.67 H +ATOM 2938 HB2 ALA A 219 143.367 192.660 198.297 1.00 42.67 H +ATOM 2939 HB3 ALA A 219 142.976 192.847 199.826 1.00 42.67 H +ATOM 2940 N PHE A 220 144.872 190.866 201.878 1.00 29.28 N +ATOM 2941 CA PHE A 220 145.349 191.019 203.251 1.00 31.46 C +ATOM 2942 C PHE A 220 146.285 189.895 203.684 1.00 28.67 C +ATOM 2943 O PHE A 220 146.217 188.782 203.166 1.00 33.32 O +ATOM 2944 CB PHE A 220 144.161 191.095 204.208 1.00 36.93 C +ATOM 2945 CG PHE A 220 143.245 192.247 203.935 1.00 38.06 C +ATOM 2946 CD1 PHE A 220 143.503 193.495 204.476 1.00 38.07 C +ATOM 2947 CD2 PHE A 220 142.132 192.087 203.129 1.00 44.40 C +ATOM 2948 CE1 PHE A 220 142.664 194.558 204.222 1.00 38.21 C +ATOM 2949 CE2 PHE A 220 141.290 193.149 202.874 1.00 44.81 C +ATOM 2950 CZ PHE A 220 141.556 194.385 203.419 1.00 37.40 C +ATOM 2951 H PHE A 220 144.383 190.170 201.754 1.00 35.14 H +ATOM 2952 HA PHE A 220 145.839 191.853 203.319 1.00 37.75 H +ATOM 2953 HB2 PHE A 220 143.643 190.278 204.130 1.00 44.32 H +ATOM 2954 HB3 PHE A 220 144.495 191.188 205.114 1.00 44.32 H +ATOM 2955 HD1 PHE A 220 144.249 193.616 205.017 1.00 45.69 H +ATOM 2956 HD2 PHE A 220 141.948 191.254 202.759 1.00 53.28 H +ATOM 2957 HE1 PHE A 220 142.845 195.392 204.591 1.00 45.85 H +ATOM 2958 HE2 PHE A 220 140.543 193.030 202.332 1.00 53.77 H +ATOM 2959 HZ PHE A 220 140.989 195.102 203.248 1.00 44.88 H +ATOM 2960 N THR A 221 147.155 190.205 204.642 1.00 28.35 N +ATOM 2961 CA THR A 221 148.104 189.239 205.186 1.00 35.73 C +ATOM 2962 C THR A 221 148.082 189.220 206.708 1.00 26.30 C +ATOM 2963 O THR A 221 147.754 190.218 207.345 1.00 24.82 O +ATOM 2964 CB THR A 221 149.551 189.534 204.722 1.00 27.94 C +ATOM 2965 OG1 THR A 221 150.452 188.607 205.339 1.00 31.78 O +ATOM 2966 CG2 THR A 221 149.966 190.948 205.094 1.00 28.79 C +ATOM 2967 H THR A 221 147.216 190.985 204.999 1.00 34.02 H +ATOM 2968 HA THR A 221 147.865 188.352 204.872 1.00 42.88 H +ATOM 2969 HB THR A 221 149.605 189.443 203.758 1.00 33.53 H +ATOM 2970 HG1 THR A 221 151.239 188.762 205.091 1.00 38.14 H +ATOM 2971 HG21 THR A 221 150.874 191.116 204.796 1.00 34.55 H +ATOM 2972 HG22 THR A 221 149.372 191.589 204.672 1.00 34.55 H +ATOM 2973 HG23 THR A 221 149.923 191.064 206.056 1.00 34.55 H +ATOM 2974 N ASN A 222 148.436 188.074 207.282 1.00 35.54 N +ATOM 2975 CA ASN A 222 148.610 187.943 208.724 1.00 33.13 C +ATOM 2976 C ASN A 222 150.068 188.113 209.144 1.00 30.80 C +ATOM 2977 O ASN A 222 150.369 188.181 210.333 1.00 32.32 O +ATOM 2978 CB ASN A 222 148.101 186.585 209.202 1.00 34.90 C +ATOM 2979 CG ASN A 222 146.607 186.430 209.032 1.00 41.10 C +ATOM 2980 OD1 ASN A 222 145.839 187.338 209.345 1.00 47.38 O +ATOM 2981 ND2 ASN A 222 146.187 185.279 208.527 1.00 49.65 N +ATOM 2982 H ASN A 222 148.583 187.346 206.849 1.00 42.64 H +ATOM 2983 HA ASN A 222 148.089 188.630 209.167 1.00 39.75 H +ATOM 2984 HB2 ASN A 222 148.536 185.885 208.689 1.00 41.87 H +ATOM 2985 HB3 ASN A 222 148.308 186.483 210.144 1.00 41.87 H +ATOM 2986 HD21 ASN A 222 145.346 185.142 208.410 1.00 59.58 H +ATOM 2987 HD22 ASN A 222 146.755 184.669 208.316 1.00 59.58 H +ATOM 2988 N GLY A 223 150.968 188.173 208.166 1.00 28.45 N +ATOM 2989 CA GLY A 223 152.385 188.344 208.438 1.00 28.99 C +ATOM 2990 C GLY A 223 152.755 189.809 208.550 1.00 26.54 C +ATOM 2991 O GLY A 223 153.246 190.404 207.594 1.00 30.29 O +ATOM 2992 H GLY A 223 150.777 188.116 207.329 1.00 34.13 H +ATOM 2993 HA2 GLY A 223 152.613 187.901 209.270 1.00 34.78 H +ATOM 2994 HA3 GLY A 223 152.905 187.947 207.722 1.00 34.78 H +ATOM 2995 N LEU A 224 152.524 190.391 209.722 1.00 23.04 N +ATOM 2996 CA LEU A 224 152.713 191.826 209.913 1.00 27.27 C +ATOM 2997 C LEU A 224 154.190 192.197 210.032 1.00 25.51 C +ATOM 2998 O LEU A 224 154.540 193.376 210.038 1.00 26.06 O +ATOM 2999 CB LEU A 224 151.951 192.300 211.150 1.00 22.51 C +ATOM 3000 CG LEU A 224 150.458 191.955 211.183 1.00 29.48 C +ATOM 3001 CD1 LEU A 224 149.803 192.568 212.405 1.00 22.12 C +ATOM 3002 CD2 LEU A 224 149.749 192.408 209.916 1.00 26.29 C +ATOM 3003 H LEU A 224 152.255 189.976 210.426 1.00 27.65 H +ATOM 3004 HA LEU A 224 152.352 192.294 209.144 1.00 32.73 H +ATOM 3005 HB2 LEU A 224 152.359 191.899 211.933 1.00 27.01 H +ATOM 3006 HB3 LEU A 224 152.026 193.266 211.204 1.00 27.01 H +ATOM 3007 HG LEU A 224 150.362 190.992 211.247 1.00 35.38 H +ATOM 3008 HD11 LEU A 224 148.860 192.338 212.406 1.00 26.55 H +ATOM 3009 HD12 LEU A 224 150.231 192.218 213.201 1.00 26.55 H +ATOM 3010 HD13 LEU A 224 149.908 193.532 212.368 1.00 26.55 H +ATOM 3011 HD21 LEU A 224 148.810 192.171 209.978 1.00 31.55 H +ATOM 3012 HD22 LEU A 224 149.843 193.369 209.829 1.00 31.55 H +ATOM 3013 HD23 LEU A 224 150.153 191.965 209.153 1.00 31.55 H +ATOM 3014 N GLY A 225 155.053 191.191 210.128 1.00 23.26 N +ATOM 3015 CA GLY A 225 156.485 191.419 210.125 1.00 24.62 C +ATOM 3016 C GLY A 225 156.961 191.751 208.724 1.00 27.17 C +ATOM 3017 O GLY A 225 158.010 192.369 208.545 1.00 28.19 O +ATOM 3018 H GLY A 225 154.829 190.364 210.196 1.00 27.91 H +ATOM 3019 HA2 GLY A 225 156.703 192.157 210.715 1.00 29.54 H +ATOM 3020 HA3 GLY A 225 156.946 190.623 210.433 1.00 29.54 H +ATOM 3021 N HIS A 226 156.178 191.329 207.734 1.00 23.82 N +ATOM 3022 CA HIS A 226 156.435 191.639 206.329 1.00 24.14 C +ATOM 3023 C HIS A 226 157.858 191.295 205.884 1.00 25.87 C +ATOM 3024 O HIS A 226 158.514 192.082 205.201 1.00 22.14 O +ATOM 3025 CB HIS A 226 156.142 193.117 206.064 1.00 21.07 C +ATOM 3026 CG HIS A 226 154.686 193.418 205.919 1.00 22.95 C +ATOM 3027 ND1 HIS A 226 154.042 193.383 204.703 1.00 25.38 N +ATOM 3028 CD2 HIS A 226 153.745 193.743 206.835 1.00 18.64 C +ATOM 3029 CE1 HIS A 226 152.767 193.679 204.872 1.00 29.20 C +ATOM 3030 NE2 HIS A 226 152.561 193.902 206.157 1.00 30.62 N +ATOM 3031 H HIS A 226 155.475 190.849 207.855 1.00 28.59 H +ATOM 3032 HA HIS A 226 155.825 191.118 205.783 1.00 28.97 H +ATOM 3033 HB2 HIS A 226 156.482 193.641 206.806 1.00 25.28 H +ATOM 3034 HB3 HIS A 226 156.584 193.382 205.243 1.00 25.28 H +ATOM 3035 HD2 HIS A 226 153.875 193.842 207.750 1.00 22.37 H +ATOM 3036 HE1 HIS A 226 152.125 193.725 204.201 1.00 35.04 H +ATOM 3037 HE2 HIS A 226 151.807 194.114 206.512 1.00 36.75 H +ATOM 3038 N GLY A 227 158.329 190.112 206.259 1.00 22.32 N +ATOM 3039 CA GLY A 227 159.641 189.671 205.837 1.00 25.50 C +ATOM 3040 C GLY A 227 160.131 188.434 206.557 1.00 23.78 C +ATOM 3041 O GLY A 227 159.346 187.562 206.929 1.00 24.64 O +ATOM 3042 H GLY A 227 157.907 189.551 206.756 1.00 26.79 H +ATOM 3043 HA2 GLY A 227 159.622 189.481 204.886 1.00 30.60 H +ATOM 3044 HA3 GLY A 227 160.281 190.384 205.990 1.00 30.60 H +ATOM 3045 N VAL A 228 161.442 188.371 206.755 1.00 22.91 N +ATOM 3046 CA VAL A 228 162.093 187.191 207.305 1.00 22.88 C +ATOM 3047 C VAL A 228 162.252 187.314 208.819 1.00 23.29 C +ATOM 3048 O VAL A 228 163.335 187.617 209.316 1.00 23.20 O +ATOM 3049 CB VAL A 228 163.471 186.968 206.649 1.00 22.05 C +ATOM 3050 CG1 VAL A 228 164.072 185.646 207.084 1.00 22.30 C +ATOM 3051 CG2 VAL A 228 163.344 187.005 205.132 1.00 22.96 C +ATOM 3052 H VAL A 228 161.986 189.013 206.575 1.00 27.49 H +ATOM 3053 HA VAL A 228 161.544 186.412 207.122 1.00 27.46 H +ATOM 3054 HB VAL A 228 164.073 187.678 206.921 1.00 26.46 H +ATOM 3055 HG11 VAL A 228 164.935 185.536 206.655 1.00 26.76 H +ATOM 3056 HG12 VAL A 228 164.178 185.650 208.048 1.00 26.76 H +ATOM 3057 HG13 VAL A 228 163.476 184.927 206.819 1.00 26.76 H +ATOM 3058 HG21 VAL A 228 164.219 186.863 204.738 1.00 27.56 H +ATOM 3059 HG22 VAL A 228 162.736 186.305 204.849 1.00 27.56 H +ATOM 3060 HG23 VAL A 228 162.998 187.872 204.866 1.00 27.56 H +ATOM 3061 N ASP A 229 161.161 187.076 209.544 1.00 23.38 N +ATOM 3062 CA ASP A 229 161.164 187.162 211.002 1.00 29.29 C +ATOM 3063 C ASP A 229 161.070 185.783 211.650 1.00 26.72 C +ATOM 3064 O ASP A 229 161.117 185.662 212.872 1.00 24.42 O +ATOM 3065 CB ASP A 229 160.017 188.058 211.483 1.00 25.33 C +ATOM 3066 CG ASP A 229 158.640 187.529 211.099 1.00 26.39 C +ATOM 3067 OD1 ASP A 229 158.550 186.507 210.388 1.00 25.65 O +ATOM 3068 OD2 ASP A 229 157.637 188.154 211.503 1.00 24.56 O +ATOM 3069 H ASP A 229 160.399 186.861 209.210 1.00 28.05 H +ATOM 3070 HA ASP A 229 161.997 187.567 211.289 1.00 35.15 H +ATOM 3071 HB2 ASP A 229 160.053 188.123 212.450 1.00 30.39 H +ATOM 3072 HB3 ASP A 229 160.120 188.938 211.088 1.00 30.39 H +ATOM 3073 N LEU A 230 160.951 184.752 210.819 1.00 25.86 N +ATOM 3074 CA LEU A 230 160.857 183.367 211.278 1.00 26.76 C +ATOM 3075 C LEU A 230 159.630 183.137 212.167 1.00 28.19 C +ATOM 3076 O LEU A 230 159.648 182.302 213.071 1.00 31.29 O +ATOM 3077 CB LEU A 230 162.145 182.959 212.009 1.00 28.18 C +ATOM 3078 CG LEU A 230 163.214 182.311 211.118 1.00 30.10 C +ATOM 3079 CD1 LEU A 230 163.588 183.206 209.947 1.00 28.56 C +ATOM 3080 CD2 LEU A 230 164.443 181.963 211.942 1.00 25.44 C +ATOM 3081 H LEU A 230 160.922 184.831 209.963 1.00 31.04 H +ATOM 3082 HA LEU A 230 160.767 182.792 210.502 1.00 32.11 H +ATOM 3083 HB2 LEU A 230 162.537 183.751 212.409 1.00 33.82 H +ATOM 3084 HB3 LEU A 230 161.917 182.322 212.704 1.00 33.82 H +ATOM 3085 HG LEU A 230 162.858 181.484 210.756 1.00 36.12 H +ATOM 3086 HD11 LEU A 230 164.263 182.760 209.413 1.00 34.27 H +ATOM 3087 HD12 LEU A 230 162.796 183.370 209.411 1.00 34.27 H +ATOM 3088 HD13 LEU A 230 163.936 184.044 210.289 1.00 34.27 H +ATOM 3089 HD21 LEU A 230 165.106 181.556 211.363 1.00 30.52 H +ATOM 3090 HD22 LEU A 230 164.800 182.776 212.334 1.00 30.52 H +ATOM 3091 HD23 LEU A 230 164.188 181.342 212.642 1.00 30.52 H +ATOM 3092 N ASN A 231 158.550 183.861 211.892 1.00 29.16 N +ATOM 3093 CA ASN A 231 157.306 183.653 212.621 1.00 28.53 C +ATOM 3094 C ASN A 231 156.740 182.262 212.359 1.00 22.54 C +ATOM 3095 O ASN A 231 155.944 181.750 213.141 1.00 26.79 O +ATOM 3096 CB ASN A 231 156.272 184.717 212.246 1.00 23.82 C +ATOM 3097 CG ASN A 231 155.619 184.454 210.907 1.00 26.12 C +ATOM 3098 OD1 ASN A 231 154.640 183.716 210.816 1.00 29.80 O +ATOM 3099 ND2 ASN A 231 156.152 185.064 209.857 1.00 30.44 N +ATOM 3100 H ASN A 231 158.511 184.475 211.291 1.00 34.99 H +ATOM 3101 HA ASN A 231 157.482 183.730 213.571 1.00 34.23 H +ATOM 3102 HB2 ASN A 231 155.576 184.732 212.921 1.00 28.59 H +ATOM 3103 HB3 ASN A 231 156.710 185.581 212.202 1.00 28.59 H +ATOM 3104 HD21 ASN A 231 155.816 184.946 209.075 1.00 36.53 H +ATOM 3105 HD22 ASN A 231 156.834 185.578 209.960 1.00 36.53 H +ATOM 3106 N HIS A 232 157.157 181.646 211.258 1.00 28.01 N +ATOM 3107 CA HIS A 232 156.706 180.298 210.934 1.00 29.54 C +ATOM 3108 C HIS A 232 157.426 179.253 211.789 1.00 28.41 C +ATOM 3109 O HIS A 232 157.092 178.072 211.744 1.00 23.90 O +ATOM 3110 CB HIS A 232 156.899 180.000 209.441 1.00 27.38 C +ATOM 3111 CG HIS A 232 158.325 180.012 208.988 1.00 22.09 C +ATOM 3112 ND1 HIS A 232 159.309 180.742 209.620 1.00 28.44 N +ATOM 3113 CD2 HIS A 232 158.930 179.386 207.952 1.00 29.31 C +ATOM 3114 CE1 HIS A 232 160.458 180.562 208.996 1.00 26.47 C +ATOM 3115 NE2 HIS A 232 160.255 179.742 207.982 1.00 28.48 N +ATOM 3116 H HIS A 232 157.699 181.987 210.684 1.00 33.61 H +ATOM 3117 HA HIS A 232 155.758 180.233 211.127 1.00 35.44 H +ATOM 3118 HB2 HIS A 232 156.537 179.120 209.251 1.00 32.85 H +ATOM 3119 HB3 HIS A 232 156.421 180.669 208.927 1.00 32.85 H +ATOM 3120 HD2 HIS A 232 158.524 178.818 207.337 1.00 35.17 H +ATOM 3121 HE1 HIS A 232 161.272 180.946 209.233 1.00 31.76 H +ATOM 3122 HE2 HIS A 232 160.856 179.476 207.427 1.00 34.18 H +ATOM 3123 N ILE A 233 158.407 179.700 212.567 1.00 26.89 N +ATOM 3124 CA ILE A 233 159.042 178.862 213.578 1.00 27.19 C +ATOM 3125 C ILE A 233 158.561 179.256 214.973 1.00 27.64 C +ATOM 3126 O ILE A 233 158.209 178.400 215.784 1.00 23.86 O +ATOM 3127 CB ILE A 233 160.581 178.970 213.520 1.00 24.52 C +ATOM 3128 CG1 ILE A 233 161.101 178.371 212.213 1.00 28.34 C +ATOM 3129 CG2 ILE A 233 161.223 178.256 214.712 1.00 21.05 C +ATOM 3130 CD1 ILE A 233 162.549 178.676 211.930 1.00 27.69 C +ATOM 3131 H ILE A 233 158.727 180.497 212.528 1.00 32.27 H +ATOM 3132 HA ILE A 233 158.797 177.936 213.424 1.00 32.63 H +ATOM 3133 HB ILE A 233 160.828 179.908 213.551 1.00 29.42 H +ATOM 3134 HG12 ILE A 233 161.004 177.406 212.253 1.00 34.00 H +ATOM 3135 HG13 ILE A 233 160.575 178.723 211.478 1.00 34.00 H +ATOM 3136 HG21 ILE A 233 162.187 178.341 214.649 1.00 25.26 H +ATOM 3137 HG22 ILE A 233 160.907 178.667 215.532 1.00 25.26 H +ATOM 3138 HG23 ILE A 233 160.970 177.320 214.692 1.00 25.26 H +ATOM 3139 HD11 ILE A 233 162.800 178.263 211.089 1.00 33.22 H +ATOM 3140 HD12 ILE A 233 162.664 179.637 211.874 1.00 33.22 H +ATOM 3141 HD13 ILE A 233 163.093 178.319 212.649 1.00 33.22 H +ATOM 3142 N TYR A 234 158.533 180.559 215.234 1.00 24.66 N +ATOM 3143 CA TYR A 234 158.324 181.075 216.584 1.00 25.32 C +ATOM 3144 C TYR A 234 156.909 181.573 216.853 1.00 24.26 C +ATOM 3145 O TYR A 234 156.559 181.855 217.997 1.00 27.07 O +ATOM 3146 CB TYR A 234 159.314 182.207 216.856 1.00 24.31 C +ATOM 3147 CG TYR A 234 160.751 181.765 216.757 1.00 24.25 C +ATOM 3148 CD1 TYR A 234 161.298 180.915 217.708 1.00 28.46 C +ATOM 3149 CD2 TYR A 234 161.560 182.188 215.712 1.00 26.91 C +ATOM 3150 CE1 TYR A 234 162.610 180.500 217.623 1.00 30.33 C +ATOM 3151 CE2 TYR A 234 162.876 181.777 215.620 1.00 28.39 C +ATOM 3152 CZ TYR A 234 163.394 180.936 216.577 1.00 26.19 C +ATOM 3153 OH TYR A 234 164.701 180.526 216.492 1.00 23.63 O +ATOM 3154 H TYR A 234 158.634 181.172 214.640 1.00 29.59 H +ATOM 3155 HA TYR A 234 158.509 180.364 217.217 1.00 30.39 H +ATOM 3156 HB2 TYR A 234 159.173 182.913 216.206 1.00 29.17 H +ATOM 3157 HB3 TYR A 234 159.166 182.547 217.752 1.00 29.17 H +ATOM 3158 HD1 TYR A 234 160.770 180.620 218.414 1.00 34.15 H +ATOM 3159 HD2 TYR A 234 161.211 182.756 215.064 1.00 32.29 H +ATOM 3160 HE1 TYR A 234 162.964 179.932 218.268 1.00 36.40 H +ATOM 3161 HE2 TYR A 234 163.408 182.069 214.915 1.00 34.07 H +ATOM 3162 HH TYR A 234 165.063 180.861 215.813 1.00 28.36 H +ATOM 3163 N GLY A 235 156.100 181.683 215.805 1.00 24.49 N +ATOM 3164 CA GLY A 235 154.744 182.184 215.944 1.00 20.99 C +ATOM 3165 C GLY A 235 154.665 183.677 215.686 1.00 23.79 C +ATOM 3166 O GLY A 235 155.604 184.419 215.970 1.00 23.30 O +ATOM 3167 H GLY A 235 156.316 181.472 215.000 1.00 29.39 H +ATOM 3168 HA2 GLY A 235 154.164 181.730 215.313 1.00 25.19 H +ATOM 3169 HA3 GLY A 235 154.423 182.008 216.842 1.00 25.19 H +ATOM 3170 N GLU A 236 153.535 184.113 215.145 1.00 27.13 N +ATOM 3171 CA GLU A 236 153.333 185.516 214.800 1.00 23.76 C +ATOM 3172 C GLU A 236 153.204 186.393 216.043 1.00 31.52 C +ATOM 3173 O GLU A 236 153.739 187.500 216.084 1.00 33.26 O +ATOM 3174 CB GLU A 236 152.090 185.656 213.915 1.00 30.39 C +ATOM 3175 CG GLU A 236 151.715 187.087 213.538 1.00 38.19 C +ATOM 3176 CD GLU A 236 152.670 187.724 212.541 1.00 30.90 C +ATOM 3177 OE1 GLU A 236 153.338 186.991 211.781 1.00 28.48 O +ATOM 3178 OE2 GLU A 236 152.747 188.969 212.514 1.00 30.56 O +ATOM 3179 H GLU A 236 152.861 183.611 214.965 1.00 32.55 H +ATOM 3180 HA GLU A 236 154.098 185.828 214.292 1.00 28.51 H +ATOM 3181 HB2 GLU A 236 152.242 185.168 213.091 1.00 36.46 H +ATOM 3182 HB3 GLU A 236 151.333 185.271 214.385 1.00 36.46 H +ATOM 3183 HG2 GLU A 236 150.830 187.084 213.141 1.00 45.82 H +ATOM 3184 HG3 GLU A 236 151.715 187.632 214.340 1.00 45.82 H +ATOM 3185 N THR A 237 152.497 185.898 217.055 1.00 33.24 N +ATOM 3186 CA THR A 237 152.239 186.674 218.267 1.00 27.62 C +ATOM 3187 C THR A 237 153.062 186.175 219.446 1.00 33.13 C +ATOM 3188 O THR A 237 153.543 185.043 219.447 1.00 28.81 O +ATOM 3189 CB THR A 237 150.753 186.628 218.663 1.00 27.48 C +ATOM 3190 OG1 THR A 237 150.396 185.291 219.037 1.00 33.45 O +ATOM 3191 CG2 THR A 237 149.873 187.092 217.510 1.00 26.95 C +ATOM 3192 H THR A 237 152.154 185.110 217.065 1.00 39.89 H +ATOM 3193 HA THR A 237 152.477 187.600 218.105 1.00 33.15 H +ATOM 3194 HB THR A 237 150.605 187.221 219.416 1.00 32.98 H +ATOM 3195 HG1 THR A 237 149.585 185.261 219.254 1.00 40.14 H +ATOM 3196 HG21 THR A 237 148.940 187.058 217.771 1.00 32.34 H +ATOM 3197 HG22 THR A 237 150.100 188.003 217.266 1.00 32.34 H +ATOM 3198 HG23 THR A 237 150.006 186.517 216.740 1.00 32.34 H +ATOM 3199 N LEU A 238 153.221 187.032 220.448 1.00 29.19 N +ATOM 3200 CA LEU A 238 153.918 186.651 221.666 1.00 34.33 C +ATOM 3201 C LEU A 238 153.169 185.524 222.366 1.00 32.98 C +ATOM 3202 O LEU A 238 153.776 184.658 222.990 1.00 30.77 O +ATOM 3203 CB LEU A 238 154.064 187.851 222.603 1.00 28.40 C +ATOM 3204 CG LEU A 238 154.743 187.565 223.945 1.00 26.84 C +ATOM 3205 CD1 LEU A 238 156.196 187.203 223.739 1.00 30.25 C +ATOM 3206 CD2 LEU A 238 154.612 188.751 224.882 1.00 36.97 C +ATOM 3207 H LEU A 238 152.932 187.842 220.446 1.00 35.03 H +ATOM 3208 HA LEU A 238 154.806 186.332 221.440 1.00 41.20 H +ATOM 3209 HB2 LEU A 238 154.589 188.530 222.151 1.00 34.08 H +ATOM 3210 HB3 LEU A 238 153.179 188.200 222.794 1.00 34.08 H +ATOM 3211 HG LEU A 238 154.305 186.807 224.363 1.00 32.21 H +ATOM 3212 HD11 LEU A 238 156.603 187.027 224.602 1.00 36.30 H +ATOM 3213 HD12 LEU A 238 156.248 186.411 223.181 1.00 36.30 H +ATOM 3214 HD13 LEU A 238 156.648 187.944 223.306 1.00 36.30 H +ATOM 3215 HD21 LEU A 238 155.051 188.541 225.721 1.00 44.37 H +ATOM 3216 HD22 LEU A 238 155.032 189.524 224.473 1.00 44.37 H +ATOM 3217 HD23 LEU A 238 153.671 188.929 225.035 1.00 44.37 H +ATOM 3218 N ALA A 239 151.847 185.536 222.246 1.00 30.39 N +ATOM 3219 CA ALA A 239 151.013 184.531 222.894 1.00 29.96 C +ATOM 3220 C ALA A 239 151.296 183.139 222.339 1.00 30.38 C +ATOM 3221 O ALA A 239 151.381 182.170 223.091 1.00 34.14 O +ATOM 3222 CB ALA A 239 149.547 184.878 222.725 1.00 26.10 C +ATOM 3223 H ALA A 239 151.405 186.118 221.793 1.00 36.46 H +ATOM 3224 HA ALA A 239 151.211 184.521 223.843 1.00 35.95 H +ATOM 3225 HB1 ALA A 239 149.010 184.198 223.162 1.00 31.32 H +ATOM 3226 HB2 ALA A 239 149.379 185.743 223.129 1.00 31.32 H +ATOM 3227 HB3 ALA A 239 149.337 184.908 221.778 1.00 31.32 H +ATOM 3228 N ARG A 240 151.442 183.040 221.022 1.00 33.16 N +ATOM 3229 CA ARG A 240 151.753 181.763 220.392 1.00 32.12 C +ATOM 3230 C ARG A 240 153.188 181.346 220.705 1.00 27.46 C +ATOM 3231 O ARG A 240 153.451 180.183 221.009 1.00 27.97 O +ATOM 3232 CB ARG A 240 151.542 181.839 218.882 1.00 30.28 C +ATOM 3233 CG ARG A 240 151.673 180.501 218.185 1.00 30.47 C +ATOM 3234 CD ARG A 240 151.230 180.581 216.737 1.00 31.76 C +ATOM 3235 NE ARG A 240 151.337 179.287 216.069 1.00 37.64 N +ATOM 3236 CZ ARG A 240 150.393 178.351 216.078 1.00 39.58 C +ATOM 3237 NH1 ARG A 240 149.251 178.549 216.720 1.00 54.49 N +ATOM 3238 NH2 ARG A 240 150.593 177.206 215.440 1.00 37.42 N +ATOM 3239 H ARG A 240 151.367 183.697 220.472 1.00 39.80 H +ATOM 3240 HA ARG A 240 151.158 181.083 220.745 1.00 38.55 H +ATOM 3241 HB2 ARG A 240 150.651 182.180 218.707 1.00 36.33 H +ATOM 3242 HB3 ARG A 240 152.204 182.438 218.503 1.00 36.33 H +ATOM 3243 HG2 ARG A 240 152.602 180.221 218.203 1.00 36.57 H +ATOM 3244 HG3 ARG A 240 151.116 179.849 218.638 1.00 36.57 H +ATOM 3245 HD2 ARG A 240 150.303 180.865 216.702 1.00 38.11 H +ATOM 3246 HD3 ARG A 240 151.793 181.214 216.265 1.00 38.11 H +ATOM 3247 HE ARG A 240 152.062 179.119 215.639 1.00 45.16 H +ATOM 3248 HH11 ARG A 240 149.115 179.289 217.137 1.00 65.38 H +ATOM 3249 HH12 ARG A 240 148.646 177.938 216.720 1.00 65.38 H +ATOM 3250 HH21 ARG A 240 151.332 177.070 215.021 1.00 44.90 H +ATOM 3251 HH22 ARG A 240 149.983 176.599 215.443 1.00 44.90 H +ATOM 3252 N GLN A 241 154.107 182.303 220.630 1.00 23.72 N +ATOM 3253 CA GLN A 241 155.502 182.062 220.977 1.00 27.98 C +ATOM 3254 C GLN A 241 155.613 181.437 222.364 1.00 28.48 C +ATOM 3255 O GLN A 241 156.383 180.504 222.577 1.00 27.05 O +ATOM 3256 CB GLN A 241 156.302 183.366 220.927 1.00 24.29 C +ATOM 3257 CG GLN A 241 157.802 183.179 221.108 1.00 23.93 C +ATOM 3258 CD GLN A 241 158.514 184.456 221.501 1.00 30.88 C +ATOM 3259 OE1 GLN A 241 158.924 184.619 222.648 1.00 32.17 O +ATOM 3260 NE2 GLN A 241 158.677 185.363 220.547 1.00 37.89 N +ATOM 3261 H GLN A 241 153.945 183.109 220.379 1.00 28.47 H +ATOM 3262 HA GLN A 241 155.887 181.445 220.335 1.00 33.58 H +ATOM 3263 HB2 GLN A 241 156.159 183.787 220.065 1.00 29.15 H +ATOM 3264 HB3 GLN A 241 155.990 183.951 221.634 1.00 29.15 H +ATOM 3265 HG2 GLN A 241 157.956 182.523 221.806 1.00 28.71 H +ATOM 3266 HG3 GLN A 241 158.184 182.868 220.272 1.00 28.71 H +ATOM 3267 HE21 GLN A 241 158.384 185.211 219.754 1.00 45.46 H +ATOM 3268 HE22 GLN A 241 159.076 186.105 220.723 1.00 45.46 H +ATOM 3269 N ARG A 242 154.829 181.956 223.300 1.00 36.14 N +ATOM 3270 CA ARG A 242 154.880 181.501 224.681 1.00 34.08 C +ATOM 3271 C ARG A 242 154.391 180.062 224.836 1.00 30.67 C +ATOM 3272 O ARG A 242 154.840 179.340 225.721 1.00 32.48 O +ATOM 3273 CB ARG A 242 154.059 182.437 225.565 1.00 28.81 C +ATOM 3274 CG ARG A 242 154.776 183.737 225.882 1.00 30.83 C +ATOM 3275 CD ARG A 242 153.967 184.609 226.811 1.00 33.29 C +ATOM 3276 NE ARG A 242 154.716 185.788 227.232 1.00 40.80 N +ATOM 3277 CZ ARG A 242 154.288 186.664 228.136 1.00 52.49 C +ATOM 3278 NH1 ARG A 242 153.109 186.497 228.722 1.00 40.23 N +ATOM 3279 NH2 ARG A 242 155.041 187.706 228.457 1.00 53.54 N +ATOM 3280 H ARG A 242 154.253 182.579 223.159 1.00 43.37 H +ATOM 3281 HA ARG A 242 155.800 181.535 224.987 1.00 40.90 H +ATOM 3282 HB2 ARG A 242 153.232 182.655 225.109 1.00 34.58 H +ATOM 3283 HB3 ARG A 242 153.867 181.989 226.404 1.00 34.58 H +ATOM 3284 HG2 ARG A 242 155.622 183.539 226.313 1.00 36.99 H +ATOM 3285 HG3 ARG A 242 154.926 184.228 225.059 1.00 36.99 H +ATOM 3286 HD2 ARG A 242 153.166 184.906 226.353 1.00 39.95 H +ATOM 3287 HD3 ARG A 242 153.732 184.100 227.603 1.00 39.95 H +ATOM 3288 HE ARG A 242 155.484 185.926 226.872 1.00 48.96 H +ATOM 3289 HH11 ARG A 242 152.618 185.821 228.517 1.00 48.28 H +ATOM 3290 HH12 ARG A 242 152.835 187.066 229.306 1.00 48.28 H +ATOM 3291 HH21 ARG A 242 155.806 187.817 228.079 1.00 64.25 H +ATOM 3292 HH22 ARG A 242 154.765 188.273 229.041 1.00 64.25 H +ATOM 3293 N LYS A 243 153.478 179.648 223.966 1.00 29.56 N +ATOM 3294 CA LYS A 243 152.992 178.276 223.973 1.00 30.79 C +ATOM 3295 C LYS A 243 154.039 177.303 223.438 1.00 34.55 C +ATOM 3296 O LYS A 243 154.095 176.150 223.859 1.00 36.92 O +ATOM 3297 CB LYS A 243 151.715 178.163 223.145 1.00 28.98 C +ATOM 3298 CG LYS A 243 150.504 178.809 223.791 1.00 35.76 C +ATOM 3299 CD LYS A 243 149.291 178.730 222.888 1.00 46.06 C +ATOM 3300 CE LYS A 243 148.039 179.204 223.604 1.00 47.51 C +ATOM 3301 NZ LYS A 243 146.847 179.175 222.716 1.00 63.58 N +ATOM 3302 H LYS A 243 153.123 180.143 223.360 1.00 35.47 H +ATOM 3303 HA LYS A 243 152.783 178.019 224.884 1.00 36.95 H +ATOM 3304 HB2 LYS A 243 151.859 178.596 222.288 1.00 34.78 H +ATOM 3305 HB3 LYS A 243 151.512 177.225 223.009 1.00 34.78 H +ATOM 3306 HG2 LYS A 243 150.298 178.347 224.619 1.00 42.91 H +ATOM 3307 HG3 LYS A 243 150.694 179.744 223.965 1.00 42.91 H +ATOM 3308 HD2 LYS A 243 149.431 179.296 222.113 1.00 55.27 H +ATOM 3309 HD3 LYS A 243 149.155 177.810 222.613 1.00 55.27 H +ATOM 3310 HE2 LYS A 243 147.866 178.623 224.361 1.00 57.01 H +ATOM 3311 HE3 LYS A 243 148.170 180.117 223.905 1.00 57.01 H +ATOM 3312 HZ1 LYS A 243 146.130 179.457 223.161 1.00 76.30 H +ATOM 3313 HZ2 LYS A 243 146.979 179.705 222.014 1.00 76.30 H +ATOM 3314 HZ3 LYS A 243 146.702 178.345 222.430 1.00 76.30 H +ATOM 3315 N LEU A 244 154.870 177.777 222.515 1.00 38.73 N +ATOM 3316 CA LEU A 244 155.839 176.927 221.830 1.00 27.70 C +ATOM 3317 C LEU A 244 157.180 176.845 222.556 1.00 29.06 C +ATOM 3318 O LEU A 244 157.959 175.924 222.317 1.00 33.28 O +ATOM 3319 CB LEU A 244 156.066 177.436 220.403 1.00 25.77 C +ATOM 3320 CG LEU A 244 154.870 177.377 219.451 1.00 23.69 C +ATOM 3321 CD1 LEU A 244 155.212 178.061 218.134 1.00 28.32 C +ATOM 3322 CD2 LEU A 244 154.434 175.943 219.207 1.00 25.12 C +ATOM 3323 H LEU A 244 154.893 178.599 222.264 1.00 46.47 H +ATOM 3324 HA LEU A 244 155.479 176.028 221.771 1.00 33.24 H +ATOM 3325 HB2 LEU A 244 156.346 178.364 220.453 1.00 30.92 H +ATOM 3326 HB3 LEU A 244 156.776 176.910 220.003 1.00 30.92 H +ATOM 3327 HG LEU A 244 154.125 177.852 219.850 1.00 28.43 H +ATOM 3328 HD11 LEU A 244 154.443 178.013 217.544 1.00 33.98 H +ATOM 3329 HD12 LEU A 244 155.438 178.988 218.309 1.00 33.98 H +ATOM 3330 HD13 LEU A 244 155.968 177.606 217.729 1.00 33.98 H +ATOM 3331 HD21 LEU A 244 153.676 175.943 218.601 1.00 30.15 H +ATOM 3332 HD22 LEU A 244 155.172 175.451 218.814 1.00 30.15 H +ATOM 3333 HD23 LEU A 244 154.181 175.542 220.053 1.00 30.15 H +ATOM 3334 N ARG A 245 157.455 177.809 223.427 1.00 28.18 N +ATOM 3335 CA ARG A 245 158.740 177.862 224.119 1.00 28.99 C +ATOM 3336 C ARG A 245 158.765 176.969 225.356 1.00 32.52 C +ATOM 3337 O ARG A 245 157.733 176.697 225.971 1.00 35.96 O +ATOM 3338 CB ARG A 245 159.077 179.304 224.513 1.00 28.76 C +ATOM 3339 CG ARG A 245 159.653 180.142 223.379 1.00 24.76 C +ATOM 3340 CD ARG A 245 159.910 181.583 223.804 1.00 26.37 C +ATOM 3341 NE ARG A 245 160.840 181.686 224.927 1.00 26.29 N +ATOM 3342 CZ ARG A 245 161.180 182.828 225.518 1.00 28.39 C +ATOM 3343 NH1 ARG A 245 160.669 183.977 225.097 1.00 30.10 N +ATOM 3344 NH2 ARG A 245 162.032 182.826 226.532 1.00 24.59 N +ATOM 3345 H ARG A 245 156.915 178.445 223.636 1.00 33.82 H +ATOM 3346 HA ARG A 245 159.432 177.551 223.515 1.00 34.79 H +ATOM 3347 HB2 ARG A 245 158.267 179.740 224.820 1.00 34.51 H +ATOM 3348 HB3 ARG A 245 159.731 179.286 225.228 1.00 34.51 H +ATOM 3349 HG2 ARG A 245 160.496 179.755 223.095 1.00 29.72 H +ATOM 3350 HG3 ARG A 245 159.024 180.152 222.641 1.00 29.72 H +ATOM 3351 HD2 ARG A 245 160.290 182.070 223.056 1.00 31.65 H +ATOM 3352 HD3 ARG A 245 159.071 181.988 224.072 1.00 31.65 H +ATOM 3353 HE ARG A 245 161.190 180.960 225.226 1.00 31.54 H +ATOM 3354 HH11 ARG A 245 160.116 183.986 224.439 1.00 36.13 H +ATOM 3355 HH12 ARG A 245 160.892 184.713 225.482 1.00 36.13 H +ATOM 3356 HH21 ARG A 245 162.367 182.084 226.811 1.00 29.50 H +ATOM 3357 HH22 ARG A 245 162.250 183.566 226.912 1.00 29.50 H +ATOM 3358 N LEU A 246 159.963 176.520 225.714 1.00 37.64 N +ATOM 3359 CA LEU A 246 160.164 175.667 226.877 1.00 40.15 C +ATOM 3360 C LEU A 246 160.427 176.501 228.129 1.00 39.11 C +ATOM 3361 O LEU A 246 160.190 176.050 229.248 1.00 34.56 O +ATOM 3362 CB LEU A 246 161.328 174.706 226.622 1.00 41.65 C +ATOM 3363 CG LEU A 246 161.644 173.667 227.698 1.00 38.46 C +ATOM 3364 CD1 LEU A 246 160.442 172.778 227.973 1.00 42.41 C +ATOM 3365 CD2 LEU A 246 162.838 172.833 227.273 1.00 39.18 C +ATOM 3366 H LEU A 246 160.689 176.700 225.289 1.00 45.17 H +ATOM 3367 HA LEU A 246 159.364 175.140 227.028 1.00 48.19 H +ATOM 3368 HB2 LEU A 246 161.139 174.219 225.805 1.00 49.98 H +ATOM 3369 HB3 LEU A 246 162.131 175.236 226.496 1.00 49.98 H +ATOM 3370 HG LEU A 246 161.874 174.124 228.521 1.00 46.15 H +ATOM 3371 HD11 LEU A 246 160.678 172.133 228.658 1.00 50.90 H +ATOM 3372 HD12 LEU A 246 159.705 173.329 228.276 1.00 50.90 H +ATOM 3373 HD13 LEU A 246 160.197 172.317 227.155 1.00 50.90 H +ATOM 3374 HD21 LEU A 246 163.027 172.178 227.963 1.00 47.01 H +ATOM 3375 HD22 LEU A 246 162.628 172.383 226.439 1.00 47.01 H +ATOM 3376 HD23 LEU A 246 163.603 173.416 227.151 1.00 47.01 H +ATOM 3377 N PHE A 247 160.921 177.720 227.918 1.00 31.72 N +ATOM 3378 CA PHE A 247 161.289 178.632 229.002 1.00 34.37 C +ATOM 3379 C PHE A 247 162.350 178.009 229.906 1.00 36.10 C +ATOM 3380 O PHE A 247 162.419 178.285 231.102 1.00 32.65 O +ATOM 3381 CB PHE A 247 160.050 179.050 229.798 1.00 26.47 C +ATOM 3382 CG PHE A 247 159.160 179.988 229.045 1.00 26.84 C +ATOM 3383 CD1 PHE A 247 159.520 181.313 228.885 1.00 29.77 C +ATOM 3384 CD2 PHE A 247 157.985 179.542 228.471 1.00 30.44 C +ATOM 3385 CE1 PHE A 247 158.719 182.181 228.179 1.00 27.97 C +ATOM 3386 CE2 PHE A 247 157.179 180.408 227.763 1.00 34.79 C +ATOM 3387 CZ PHE A 247 157.548 181.730 227.618 1.00 39.32 C +ATOM 3388 H PHE A 247 161.055 178.051 227.136 1.00 38.06 H +ATOM 3389 HA PHE A 247 161.671 179.435 228.613 1.00 41.25 H +ATOM 3390 HB2 PHE A 247 159.534 178.258 230.017 1.00 31.77 H +ATOM 3391 HB3 PHE A 247 160.334 179.495 230.612 1.00 31.77 H +ATOM 3392 HD1 PHE A 247 160.311 181.623 229.262 1.00 35.73 H +ATOM 3393 HD2 PHE A 247 157.734 178.652 228.565 1.00 36.53 H +ATOM 3394 HE1 PHE A 247 158.969 183.072 228.084 1.00 33.56 H +ATOM 3395 HE2 PHE A 247 156.386 180.102 227.384 1.00 41.75 H +ATOM 3396 HZ PHE A 247 157.003 182.316 227.143 1.00 47.19 H +ATOM 3397 N LYS A 248 163.178 177.171 229.294 1.00 40.76 N +ATOM 3398 CA LYS A 248 164.377 176.638 229.916 1.00 34.66 C +ATOM 3399 C LYS A 248 165.491 176.678 228.880 1.00 35.78 C +ATOM 3400 O LYS A 248 165.338 176.155 227.776 1.00 37.02 O +ATOM 3401 CB LYS A 248 164.141 175.211 230.424 1.00 54.09 C +ATOM 3402 CG LYS A 248 165.405 174.386 230.671 1.00 51.05 C +ATOM 3403 CD LYS A 248 165.062 172.920 230.892 1.00 66.63 C +ATOM 3404 CE LYS A 248 166.170 172.001 230.382 1.00 87.83 C +ATOM 3405 NZ LYS A 248 165.682 170.611 230.151 1.00 70.47 N +ATOM 3406 H LYS A 248 163.059 176.889 228.490 1.00 48.91 H +ATOM 3407 HA LYS A 248 164.631 177.196 230.668 1.00 41.59 H +ATOM 3408 HB2 LYS A 248 163.656 175.260 231.263 1.00 64.90 H +ATOM 3409 HB3 LYS A 248 163.606 174.736 229.769 1.00 64.90 H +ATOM 3410 HG2 LYS A 248 165.988 174.450 229.899 1.00 61.26 H +ATOM 3411 HG3 LYS A 248 165.856 174.717 231.464 1.00 61.26 H +ATOM 3412 HD2 LYS A 248 164.946 172.758 231.841 1.00 79.95 H +ATOM 3413 HD3 LYS A 248 164.246 172.707 230.412 1.00 79.95 H +ATOM 3414 HE2 LYS A 248 166.509 172.346 229.542 1.00105.40 H +ATOM 3415 HE3 LYS A 248 166.882 171.966 231.040 1.00105.40 H +ATOM 3416 HZ1 LYS A 248 166.348 170.100 229.856 1.00 84.56 H +ATOM 3417 HZ2 LYS A 248 165.370 170.269 230.911 1.00 84.56 H +ATOM 3418 HZ3 LYS A 248 165.029 170.615 229.546 1.00 84.56 H +ATOM 3419 N ASP A 249 166.600 177.319 229.233 1.00 27.64 N +ATOM 3420 CA ASP A 249 167.780 177.363 228.372 1.00 45.14 C +ATOM 3421 C ASP A 249 167.487 177.975 227.003 1.00 46.66 C +ATOM 3422 O ASP A 249 168.188 177.693 226.031 1.00 40.73 O +ATOM 3423 CB ASP A 249 168.355 175.955 228.197 1.00 56.50 C +ATOM 3424 CG ASP A 249 168.786 175.337 229.510 1.00 55.31 C +ATOM 3425 OD1 ASP A 249 169.151 176.097 230.432 1.00 58.79 O +ATOM 3426 OD2 ASP A 249 168.760 174.094 229.619 1.00 56.40 O +ATOM 3427 H ASP A 249 166.697 177.742 229.975 1.00 33.17 H +ATOM 3428 HA ASP A 249 168.457 177.909 228.801 1.00 54.17 H +ATOM 3429 HB2 ASP A 249 167.678 175.382 227.803 1.00 67.80 H +ATOM 3430 HB3 ASP A 249 169.131 176.000 227.617 1.00 67.80 H +ATOM 3431 N GLY A 250 166.452 178.808 226.932 1.00 36.66 N +ATOM 3432 CA GLY A 250 166.122 179.521 225.710 1.00 35.64 C +ATOM 3433 C GLY A 250 165.503 178.644 224.641 1.00 36.04 C +ATOM 3434 O GLY A 250 165.294 179.084 223.512 1.00 35.12 O +ATOM 3435 H GLY A 250 165.922 178.977 227.587 1.00 43.99 H +ATOM 3436 HA2 GLY A 250 165.498 180.234 225.916 1.00 42.77 H +ATOM 3437 HA3 GLY A 250 166.928 179.919 225.346 1.00 42.77 H +ATOM 3438 N LYS A 251 165.185 177.409 225.004 1.00 36.49 N +ATOM 3439 CA LYS A 251 164.803 176.403 224.022 1.00 34.25 C +ATOM 3440 C LYS A 251 163.323 176.419 223.663 1.00 26.37 C +ATOM 3441 O LYS A 251 162.507 177.051 224.328 1.00 32.12 O +ATOM 3442 CB LYS A 251 165.190 175.014 224.530 1.00 43.48 C +ATOM 3443 CG LYS A 251 166.667 174.716 224.353 1.00 43.20 C +ATOM 3444 CD LYS A 251 167.051 173.352 224.875 1.00 42.93 C +ATOM 3445 CE LYS A 251 168.510 173.060 224.566 1.00 52.04 C +ATOM 3446 NZ LYS A 251 168.901 171.667 224.902 1.00 48.12 N +ATOM 3447 H LYS A 251 165.183 177.126 225.816 1.00 43.79 H +ATOM 3448 HA LYS A 251 165.302 176.566 223.206 1.00 41.10 H +ATOM 3449 HB2 LYS A 251 164.984 174.955 225.476 1.00 52.18 H +ATOM 3450 HB3 LYS A 251 164.688 174.346 224.038 1.00 52.18 H +ATOM 3451 HG2 LYS A 251 166.885 174.749 223.409 1.00 51.84 H +ATOM 3452 HG3 LYS A 251 167.183 175.379 224.837 1.00 51.84 H +ATOM 3453 HD2 LYS A 251 166.930 173.327 225.837 1.00 51.52 H +ATOM 3454 HD3 LYS A 251 166.504 172.675 224.446 1.00 51.52 H +ATOM 3455 HE2 LYS A 251 168.665 173.195 223.618 1.00 62.45 H +ATOM 3456 HE3 LYS A 251 169.069 173.662 225.082 1.00 62.45 H +ATOM 3457 HZ1 LYS A 251 169.759 171.536 224.707 1.00 57.74 H +ATOM 3458 HZ2 LYS A 251 168.776 171.518 225.771 1.00 57.74 H +ATOM 3459 HZ3 LYS A 251 168.407 171.092 224.436 1.00 57.74 H +ATOM 3460 N MET A 252 163.007 175.717 222.582 1.00 27.06 N +ATOM 3461 CA MET A 252 161.636 175.507 222.144 1.00 31.16 C +ATOM 3462 C MET A 252 161.180 174.118 222.579 1.00 37.37 C +ATOM 3463 O MET A 252 161.980 173.185 222.597 1.00 34.58 O +ATOM 3464 CB MET A 252 161.541 175.654 220.624 1.00 36.29 C +ATOM 3465 CG MET A 252 161.834 177.057 220.119 1.00 32.31 C +ATOM 3466 SD MET A 252 160.436 178.175 220.311 1.00 29.94 S +ATOM 3467 CE MET A 252 159.435 177.686 218.911 1.00 26.23 C +ATOM 3468 H MET A 252 163.588 175.341 222.072 1.00 32.48 H +ATOM 3469 HA MET A 252 161.063 176.175 222.551 1.00 37.39 H +ATOM 3470 HB2 MET A 252 162.180 175.051 220.212 1.00 43.55 H +ATOM 3471 HB3 MET A 252 160.642 175.421 220.344 1.00 43.55 H +ATOM 3472 HG2 MET A 252 162.581 177.423 220.619 1.00 38.78 H +ATOM 3473 HG3 MET A 252 162.056 177.013 219.176 1.00 38.78 H +ATOM 3474 HE1 MET A 252 158.629 178.225 218.896 1.00 31.48 H +ATOM 3475 HE2 MET A 252 159.943 177.827 218.096 1.00 31.48 H +ATOM 3476 HE3 MET A 252 159.205 176.748 219.000 1.00 31.48 H +ATOM 3477 N LYS A 253 159.906 173.985 222.940 1.00 28.95 N +ATOM 3478 CA LYS A 253 159.347 172.688 223.317 1.00 34.62 C +ATOM 3479 C LYS A 253 159.559 171.666 222.206 1.00 34.99 C +ATOM 3480 O LYS A 253 159.667 172.029 221.038 1.00 39.15 O +ATOM 3481 CB LYS A 253 157.854 172.809 223.631 1.00 39.68 C +ATOM 3482 CG LYS A 253 157.527 173.429 224.984 1.00 32.57 C +ATOM 3483 CD LYS A 253 156.046 173.275 225.301 1.00 47.27 C +ATOM 3484 CE LYS A 253 155.692 173.798 226.685 1.00 40.21 C +ATOM 3485 NZ LYS A 253 154.999 175.121 226.627 1.00 64.66 N +ATOM 3486 H LYS A 253 159.342 174.633 222.976 1.00 34.74 H +ATOM 3487 HA LYS A 253 159.798 172.367 224.114 1.00 41.55 H +ATOM 3488 HB2 LYS A 253 157.439 173.360 222.948 1.00 47.62 H +ATOM 3489 HB3 LYS A 253 157.462 171.921 223.613 1.00 47.62 H +ATOM 3490 HG2 LYS A 253 158.037 172.981 225.676 1.00 39.08 H +ATOM 3491 HG3 LYS A 253 157.740 174.375 224.965 1.00 39.08 H +ATOM 3492 HD2 LYS A 253 155.529 173.774 224.650 1.00 56.73 H +ATOM 3493 HD3 LYS A 253 155.810 172.335 225.265 1.00 56.73 H +ATOM 3494 HE2 LYS A 253 155.100 173.165 227.121 1.00 48.25 H +ATOM 3495 HE3 LYS A 253 156.505 173.905 227.202 1.00 48.25 H +ATOM 3496 HZ1 LYS A 253 154.805 175.399 227.450 1.00 77.59 H +ATOM 3497 HZ2 LYS A 253 155.525 175.722 226.234 1.00 77.59 H +ATOM 3498 HZ3 LYS A 253 154.244 175.048 226.161 1.00 77.59 H +ATOM 3499 N TYR A 254 159.616 170.390 222.569 1.00 37.84 N +ATOM 3500 CA TYR A 254 159.839 169.335 221.588 1.00 41.20 C +ATOM 3501 C TYR A 254 159.478 167.956 222.131 1.00 42.97 C +ATOM 3502 O TYR A 254 159.245 167.788 223.326 1.00 34.67 O +ATOM 3503 CB TYR A 254 161.300 169.338 221.130 1.00 34.78 C +ATOM 3504 CG TYR A 254 162.289 169.080 222.244 1.00 32.97 C +ATOM 3505 CD1 TYR A 254 162.780 170.122 223.013 1.00 35.79 C +ATOM 3506 CD2 TYR A 254 162.729 167.795 222.526 1.00 39.86 C +ATOM 3507 CE1 TYR A 254 163.682 169.896 224.032 1.00 49.88 C +ATOM 3508 CE2 TYR A 254 163.632 167.557 223.545 1.00 38.35 C +ATOM 3509 CZ TYR A 254 164.104 168.612 224.295 1.00 44.40 C +ATOM 3510 OH TYR A 254 165.004 168.385 225.311 1.00 49.89 O +ATOM 3511 H TYR A 254 159.529 170.108 223.377 1.00 45.40 H +ATOM 3512 HA TYR A 254 159.283 169.505 220.812 1.00 49.44 H +ATOM 3513 HB2 TYR A 254 161.419 168.645 220.461 1.00 41.74 H +ATOM 3514 HB3 TYR A 254 161.505 170.204 220.745 1.00 41.74 H +ATOM 3515 HD1 TYR A 254 162.497 170.991 222.839 1.00 42.95 H +ATOM 3516 HD2 TYR A 254 162.411 167.082 222.021 1.00 47.84 H +ATOM 3517 HE1 TYR A 254 164.002 170.606 224.539 1.00 59.85 H +ATOM 3518 HE2 TYR A 254 163.919 166.691 223.724 1.00 46.02 H +ATOM 3519 HH TYR A 254 165.176 167.565 225.364 1.00 59.86 H +ATOM 3520 N GLN A 255 159.432 166.979 221.230 1.00 43.45 N +ATOM 3521 CA GLN A 255 159.242 165.579 221.590 1.00 44.28 C +ATOM 3522 C GLN A 255 160.474 164.775 221.220 1.00 43.58 C +ATOM 3523 O GLN A 255 161.169 165.117 220.268 1.00 40.20 O +ATOM 3524 CB GLN A 255 158.038 164.975 220.869 1.00 46.30 C +ATOM 3525 CG GLN A 255 156.696 165.539 221.243 1.00 50.12 C +ATOM 3526 CD GLN A 255 155.579 164.884 220.455 1.00 48.24 C +ATOM 3527 OE1 GLN A 255 155.011 163.881 220.881 1.00 62.17 O +ATOM 3528 NE2 GLN A 255 155.271 165.442 219.291 1.00 40.01 N +ATOM 3529 H GLN A 255 159.509 167.107 220.383 1.00 52.15 H +ATOM 3530 HA GLN A 255 159.099 165.505 222.547 1.00 53.14 H +ATOM 3531 HB2 GLN A 255 158.153 165.111 219.916 1.00 55.57 H +ATOM 3532 HB3 GLN A 255 158.014 164.024 221.058 1.00 55.57 H +ATOM 3533 HG2 GLN A 255 156.535 165.382 222.187 1.00 60.14 H +ATOM 3534 HG3 GLN A 255 156.685 166.490 221.054 1.00 60.14 H +ATOM 3535 HE21 GLN A 255 155.698 166.138 219.021 1.00 48.01 H +ATOM 3536 HE22 GLN A 255 154.644 165.107 218.806 1.00 48.01 H +ATOM 3537 N ILE A 256 160.734 163.703 221.962 1.00 45.12 N +ATOM 3538 CA ILE A 256 161.675 162.682 221.520 1.00 38.88 C +ATOM 3539 C ILE A 256 160.889 161.446 221.104 1.00 50.99 C +ATOM 3540 O ILE A 256 160.298 160.763 221.939 1.00 59.92 O +ATOM 3541 CB ILE A 256 162.696 162.303 222.604 1.00 39.70 C +ATOM 3542 CG1 ILE A 256 163.427 163.547 223.115 1.00 33.52 C +ATOM 3543 CG2 ILE A 256 163.695 161.285 222.057 1.00 36.20 C +ATOM 3544 CD1 ILE A 256 164.180 164.315 222.045 1.00 42.55 C +ATOM 3545 H ILE A 256 160.376 163.544 222.728 1.00 54.14 H +ATOM 3546 HA ILE A 256 162.161 163.008 220.747 1.00 46.66 H +ATOM 3547 HB ILE A 256 162.220 161.899 223.347 1.00 47.64 H +ATOM 3548 HG12 ILE A 256 162.777 164.150 223.508 1.00 40.22 H +ATOM 3549 HG13 ILE A 256 164.070 163.274 223.789 1.00 40.22 H +ATOM 3550 HG21 ILE A 256 164.330 161.059 222.755 1.00 43.43 H +ATOM 3551 HG22 ILE A 256 163.215 160.490 221.776 1.00 43.43 H +ATOM 3552 HG23 ILE A 256 164.160 161.675 221.300 1.00 43.43 H +ATOM 3553 HD11 ILE A 256 164.611 165.083 222.453 1.00 51.06 H +ATOM 3554 HD12 ILE A 256 164.846 163.733 221.648 1.00 51.06 H +ATOM 3555 HD13 ILE A 256 163.552 164.610 221.367 1.00 51.06 H +ATOM 3556 N ILE A 257 160.875 161.183 219.802 1.00 37.93 N +ATOM 3557 CA ILE A 257 160.216 160.013 219.239 1.00 42.10 C +ATOM 3558 C ILE A 257 161.240 159.215 218.450 1.00 46.98 C +ATOM 3559 O ILE A 257 161.921 159.760 217.584 1.00 42.09 O +ATOM 3560 CB ILE A 257 159.037 160.390 218.317 1.00 37.30 C +ATOM 3561 CG1 ILE A 257 158.120 161.411 219.003 1.00 36.12 C +ATOM 3562 CG2 ILE A 257 158.261 159.137 217.923 1.00 38.29 C +ATOM 3563 CD1 ILE A 257 156.980 161.911 218.134 1.00 34.93 C +ATOM 3564 H ILE A 257 161.251 161.681 219.210 1.00 45.51 H +ATOM 3565 HA ILE A 257 159.878 159.456 219.958 1.00 50.52 H +ATOM 3566 HB ILE A 257 159.396 160.794 217.511 1.00 44.75 H +ATOM 3567 HG12 ILE A 257 157.731 160.999 219.790 1.00 43.34 H +ATOM 3568 HG13 ILE A 257 158.651 162.179 219.264 1.00 43.34 H +ATOM 3569 HG21 ILE A 257 157.525 159.390 217.345 1.00 45.95 H +ATOM 3570 HG22 ILE A 257 158.857 158.531 217.455 1.00 45.95 H +ATOM 3571 HG23 ILE A 257 157.921 158.712 218.726 1.00 45.95 H +ATOM 3572 HD11 ILE A 257 156.453 162.548 218.641 1.00 41.91 H +ATOM 3573 HD12 ILE A 257 157.349 162.339 217.345 1.00 41.91 H +ATOM 3574 HD13 ILE A 257 156.428 161.157 217.873 1.00 41.91 H +ATOM 3575 N ASP A 258 161.350 157.926 218.762 1.00 45.08 N +ATOM 3576 CA ASP A 258 162.332 157.056 218.121 1.00 37.21 C +ATOM 3577 C ASP A 258 163.748 157.597 218.306 1.00 39.50 C +ATOM 3578 O ASP A 258 164.610 157.408 217.450 1.00 41.23 O +ATOM 3579 CB ASP A 258 162.024 156.900 216.630 1.00 41.87 C +ATOM 3580 CG ASP A 258 160.611 156.420 216.373 1.00 43.46 C +ATOM 3581 OD1 ASP A 258 160.118 155.579 217.149 1.00 51.67 O +ATOM 3582 OD2 ASP A 258 159.992 156.888 215.394 1.00 52.27 O +ATOM 3583 H ASP A 258 160.862 157.527 219.347 1.00 54.09 H +ATOM 3584 HA ASP A 258 162.290 156.178 218.530 1.00 44.66 H +ATOM 3585 HB2 ASP A 258 162.134 157.758 216.192 1.00 50.25 H +ATOM 3586 HB3 ASP A 258 162.635 156.251 216.247 1.00 50.25 H +ATOM 3587 N GLY A 259 163.974 158.280 219.424 1.00 39.21 N +ATOM 3588 CA GLY A 259 165.290 158.797 219.758 1.00 38.41 C +ATOM 3589 C GLY A 259 165.662 160.078 219.028 1.00 47.90 C +ATOM 3590 O GLY A 259 166.829 160.471 219.024 1.00 41.29 O +ATOM 3591 H GLY A 259 163.372 158.458 220.012 1.00 47.06 H +ATOM 3592 HA2 GLY A 259 165.329 158.972 220.711 1.00 46.09 H +ATOM 3593 HA3 GLY A 259 165.957 158.126 219.546 1.00 46.09 H +ATOM 3594 N GLU A 260 164.678 160.730 218.416 1.00 42.91 N +ATOM 3595 CA GLU A 260 164.924 161.947 217.644 1.00 40.69 C +ATOM 3596 C GLU A 260 163.976 163.080 218.024 1.00 36.40 C +ATOM 3597 O GLU A 260 162.847 162.843 218.439 1.00 39.30 O +ATOM 3598 CB GLU A 260 164.799 161.655 216.152 1.00 46.48 C +ATOM 3599 CG GLU A 260 165.853 160.702 215.631 1.00 47.30 C +ATOM 3600 CD GLU A 260 166.392 161.125 214.286 1.00 64.55 C +ATOM 3601 OE1 GLU A 260 165.758 160.797 213.261 1.00 71.85 O +ATOM 3602 OE2 GLU A 260 167.446 161.795 214.254 1.00 68.33 O +ATOM 3603 H GLU A 260 163.853 160.487 218.432 1.00 51.49 H +ATOM 3604 HA GLU A 260 165.830 162.248 217.814 1.00 48.83 H +ATOM 3605 HB2 GLU A 260 163.930 161.260 215.982 1.00 55.78 H +ATOM 3606 HB3 GLU A 260 164.884 162.488 215.662 1.00 55.78 H +ATOM 3607 HG2 GLU A 260 166.594 160.674 216.257 1.00 56.77 H +ATOM 3608 HG3 GLU A 260 165.464 159.819 215.536 1.00 56.77 H +ATOM 3609 N MET A 261 164.447 164.312 217.862 1.00 40.15 N +ATOM 3610 CA MET A 261 163.682 165.489 218.258 1.00 35.69 C +ATOM 3611 C MET A 261 162.631 165.867 217.219 1.00 28.90 C +ATOM 3612 O MET A 261 162.937 166.016 216.039 1.00 35.33 O +ATOM 3613 CB MET A 261 164.618 166.676 218.497 1.00 29.30 C +ATOM 3614 CG MET A 261 163.900 167.965 218.876 1.00 33.09 C +ATOM 3615 SD MET A 261 165.027 169.341 219.171 1.00 41.53 S +ATOM 3616 CE MET A 261 165.928 168.753 220.601 1.00 39.82 C +ATOM 3617 H MET A 261 165.216 164.495 217.522 1.00 48.17 H +ATOM 3618 HA MET A 261 163.233 165.298 219.095 1.00 42.83 H +ATOM 3619 HB2 MET A 261 165.226 166.453 219.219 1.00 35.16 H +ATOM 3620 HB3 MET A 261 165.121 166.845 217.685 1.00 35.16 H +ATOM 3621 HG2 MET A 261 163.303 168.217 218.154 1.00 39.71 H +ATOM 3622 HG3 MET A 261 163.392 167.816 219.689 1.00 39.71 H +ATOM 3623 HE1 MET A 261 166.580 169.423 220.861 1.00 47.78 H +ATOM 3624 HE2 MET A 261 165.303 168.600 221.327 1.00 47.78 H +ATOM 3625 HE3 MET A 261 166.378 167.925 220.371 1.00 47.78 H +ATOM 3626 N TYR A 262 161.393 166.019 217.674 1.00 36.93 N +ATOM 3627 CA TYR A 262 160.296 166.463 216.824 1.00 32.43 C +ATOM 3628 C TYR A 262 159.572 167.629 217.480 1.00 37.60 C +ATOM 3629 O TYR A 262 159.756 167.882 218.669 1.00 37.77 O +ATOM 3630 CB TYR A 262 159.322 165.317 216.558 1.00 29.35 C +ATOM 3631 CG TYR A 262 159.849 164.294 215.582 1.00 40.86 C +ATOM 3632 CD1 TYR A 262 160.423 163.111 216.026 1.00 38.18 C +ATOM 3633 CD2 TYR A 262 159.777 164.516 214.214 1.00 40.62 C +ATOM 3634 CE1 TYR A 262 160.905 162.179 215.137 1.00 36.14 C +ATOM 3635 CE2 TYR A 262 160.258 163.586 213.318 1.00 43.21 C +ATOM 3636 CZ TYR A 262 160.820 162.419 213.785 1.00 39.53 C +ATOM 3637 OH TYR A 262 161.300 161.489 212.894 1.00 41.76 O +ATOM 3638 H TYR A 262 161.159 165.869 218.488 1.00 44.32 H +ATOM 3639 HA TYR A 262 160.652 166.765 215.973 1.00 38.91 H +ATOM 3640 HB2 TYR A 262 159.137 164.862 217.394 1.00 35.22 H +ATOM 3641 HB3 TYR A 262 158.501 165.682 216.192 1.00 35.22 H +ATOM 3642 HD1 TYR A 262 160.481 162.945 216.939 1.00 45.82 H +ATOM 3643 HD2 TYR A 262 159.397 165.303 213.897 1.00 48.74 H +ATOM 3644 HE1 TYR A 262 161.285 161.389 215.448 1.00 43.37 H +ATOM 3645 HE2 TYR A 262 160.203 163.745 212.403 1.00 51.86 H +ATOM 3646 HH TYR A 262 161.186 161.760 212.107 1.00 50.11 H +ATOM 3647 N PRO A 263 158.745 168.346 216.708 1.00 40.61 N +ATOM 3648 CA PRO A 263 157.973 169.434 217.313 1.00 41.57 C +ATOM 3649 C PRO A 263 156.987 168.900 218.342 1.00 41.97 C +ATOM 3650 O PRO A 263 156.600 167.736 218.265 1.00 45.56 O +ATOM 3651 CB PRO A 263 157.242 170.062 216.120 1.00 42.62 C +ATOM 3652 CG PRO A 263 157.979 169.597 214.912 1.00 44.39 C +ATOM 3653 CD PRO A 263 158.512 168.248 215.258 1.00 43.92 C +ATOM 3654 HA PRO A 263 158.560 170.088 217.723 1.00 49.88 H +ATOM 3655 HB2 PRO A 263 156.323 169.752 216.101 1.00 51.14 H +ATOM 3656 HB3 PRO A 263 157.276 171.029 216.190 1.00 51.14 H +ATOM 3657 HG2 PRO A 263 157.368 169.540 214.160 1.00 53.26 H +ATOM 3658 HG3 PRO A 263 158.704 170.211 214.716 1.00 53.26 H +ATOM 3659 HD2 PRO A 263 157.853 167.563 215.066 1.00 52.70 H +ATOM 3660 HD3 PRO A 263 159.346 168.083 214.791 1.00 52.70 H +ATOM 3661 N PRO A 264 156.580 169.745 219.295 1.00 41.53 N +ATOM 3662 CA PRO A 264 155.630 169.306 220.317 1.00 45.47 C +ATOM 3663 C PRO A 264 154.237 169.125 219.732 1.00 42.79 C +ATOM 3664 O PRO A 264 154.007 169.472 218.574 1.00 37.52 O +ATOM 3665 CB PRO A 264 155.666 170.444 221.333 1.00 49.49 C +ATOM 3666 CG PRO A 264 155.972 171.650 220.504 1.00 53.29 C +ATOM 3667 CD PRO A 264 156.889 171.180 219.408 1.00 44.65 C +ATOM 3668 HA PRO A 264 155.926 168.481 220.733 1.00 54.57 H +ATOM 3669 HB2 PRO A 264 154.802 170.530 221.765 1.00 59.39 H +ATOM 3670 HB3 PRO A 264 156.367 170.284 221.985 1.00 59.39 H +ATOM 3671 HG2 PRO A 264 155.150 172.004 220.132 1.00 63.95 H +ATOM 3672 HG3 PRO A 264 156.413 172.317 221.054 1.00 63.95 H +ATOM 3673 HD2 PRO A 264 156.685 171.637 218.577 1.00 53.58 H +ATOM 3674 HD3 PRO A 264 157.816 171.307 219.665 1.00 53.58 H +ATOM 3675 N THR A 265 153.319 168.594 220.528 1.00 50.55 N +ATOM 3676 CA THR A 265 151.952 168.379 220.078 1.00 47.07 C +ATOM 3677 C THR A 265 151.084 169.595 220.358 1.00 39.35 C +ATOM 3678 O THR A 265 151.437 170.452 221.166 1.00 29.47 O +ATOM 3679 CB THR A 265 151.318 167.159 220.767 1.00 45.84 C +ATOM 3680 OG1 THR A 265 151.282 167.379 222.183 1.00 44.17 O +ATOM 3681 CG2 THR A 265 152.115 165.900 220.468 1.00 43.48 C +ATOM 3682 H THR A 265 153.464 168.348 221.339 1.00 60.66 H +ATOM 3683 HA THR A 265 151.953 168.220 219.121 1.00 56.49 H +ATOM 3684 HB THR A 265 150.415 167.036 220.437 1.00 55.01 H +ATOM 3685 HG1 THR A 265 150.937 166.716 222.567 1.00 53.00 H +ATOM 3686 HG21 THR A 265 151.706 165.137 220.907 1.00 52.18 H +ATOM 3687 HG22 THR A 265 152.134 165.739 219.512 1.00 52.18 H +ATOM 3688 HG23 THR A 265 153.024 165.999 220.790 1.00 52.18 H +ATOM 3689 N VAL A 266 149.945 169.660 219.679 1.00 37.63 N +ATOM 3690 CA VAL A 266 148.931 170.662 219.965 1.00 40.19 C +ATOM 3691 C VAL A 266 148.416 170.496 221.393 1.00 41.53 C +ATOM 3692 O VAL A 266 148.128 171.478 222.073 1.00 44.10 O +ATOM 3693 CB VAL A 266 147.758 170.565 218.961 1.00 42.11 C +ATOM 3694 CG1 VAL A 266 146.511 171.298 219.473 1.00 35.98 C +ATOM 3695 CG2 VAL A 266 148.186 171.112 217.608 1.00 42.44 C +ATOM 3696 H VAL A 266 149.735 169.127 219.038 1.00 45.16 H +ATOM 3697 HA VAL A 266 149.325 171.545 219.886 1.00 48.23 H +ATOM 3698 HB VAL A 266 147.525 169.631 218.842 1.00 50.54 H +ATOM 3699 HG11 VAL A 266 145.803 171.213 218.816 1.00 43.18 H +ATOM 3700 HG12 VAL A 266 146.234 170.899 220.313 1.00 43.18 H +ATOM 3701 HG13 VAL A 266 146.728 172.234 219.607 1.00 43.18 H +ATOM 3702 HG21 VAL A 266 147.441 171.044 216.991 1.00 50.92 H +ATOM 3703 HG22 VAL A 266 148.447 172.040 217.711 1.00 50.92 H +ATOM 3704 HG23 VAL A 266 148.936 170.591 217.280 1.00 50.92 H +ATOM 3705 N LYS A 267 148.303 169.251 221.843 1.00 50.55 N +ATOM 3706 CA LYS A 267 147.799 168.970 223.183 1.00 58.38 C +ATOM 3707 C LYS A 267 148.721 169.541 224.258 1.00 59.54 C +ATOM 3708 O LYS A 267 148.259 170.091 225.256 1.00 64.09 O +ATOM 3709 CB LYS A 267 147.631 167.463 223.393 1.00 67.23 C +ATOM 3710 CG LYS A 267 147.087 167.091 224.768 1.00 84.19 C +ATOM 3711 CD LYS A 267 146.935 165.590 224.932 1.00100.21 C +ATOM 3712 CE LYS A 267 146.267 165.244 226.254 1.00111.03 C +ATOM 3713 NZ LYS A 267 146.062 163.779 226.412 1.00119.37 N +ATOM 3714 H LYS A 267 148.512 168.549 221.392 1.00 60.66 H +ATOM 3715 HA LYS A 267 146.928 169.385 223.285 1.00 70.05 H +ATOM 3716 HB2 LYS A 267 147.014 167.121 222.728 1.00 80.68 H +ATOM 3717 HB3 LYS A 267 148.496 167.035 223.290 1.00 80.68 H +ATOM 3718 HG2 LYS A 267 147.700 167.409 225.449 1.00101.03 H +ATOM 3719 HG3 LYS A 267 146.215 167.499 224.886 1.00101.03 H +ATOM 3720 HD2 LYS A 267 146.384 165.243 224.212 1.00120.25 H +ATOM 3721 HD3 LYS A 267 147.811 165.174 224.915 1.00120.25 H +ATOM 3722 HE2 LYS A 267 146.827 165.551 226.984 1.00133.24 H +ATOM 3723 HE3 LYS A 267 145.399 165.676 226.295 1.00133.24 H +ATOM 3724 HZ1 LYS A 267 145.671 163.609 227.193 1.00143.25 H +ATOM 3725 HZ2 LYS A 267 145.545 163.472 225.756 1.00143.25 H +ATOM 3726 HZ3 LYS A 267 146.846 163.358 226.383 1.00143.25 H +ATOM 3727 N ASP A 268 150.025 169.412 224.046 1.00 56.87 N +ATOM 3728 CA ASP A 268 151.002 169.817 225.050 1.00 56.25 C +ATOM 3729 C ASP A 268 151.256 171.326 225.054 1.00 62.52 C +ATOM 3730 O ASP A 268 151.642 171.889 226.079 1.00 55.47 O +ATOM 3731 CB ASP A 268 152.319 169.072 224.824 1.00 75.86 C +ATOM 3732 CG ASP A 268 153.313 169.299 225.943 1.00 93.55 C +ATOM 3733 OD1 ASP A 268 153.178 168.645 226.999 1.00113.23 O +ATOM 3734 OD2 ASP A 268 154.231 170.127 225.767 1.00 94.78 O +ATOM 3735 H ASP A 268 150.372 169.093 223.327 1.00 68.25 H +ATOM 3736 HA ASP A 268 150.669 169.570 225.927 1.00 67.50 H +ATOM 3737 HB2 ASP A 268 152.139 168.120 224.770 1.00 91.03 H +ATOM 3738 HB3 ASP A 268 152.720 169.382 223.997 1.00 91.03 H +ATOM 3739 N THR A 269 151.033 171.977 223.915 1.00 53.47 N +ATOM 3740 CA THR A 269 151.344 173.399 223.767 1.00 50.36 C +ATOM 3741 C THR A 269 150.116 174.299 223.837 1.00 44.55 C +ATOM 3742 O THR A 269 150.222 175.459 224.227 1.00 42.73 O +ATOM 3743 CB THR A 269 152.046 173.680 222.430 1.00 41.68 C +ATOM 3744 OG1 THR A 269 151.173 173.335 221.346 1.00 34.65 O +ATOM 3745 CG2 THR A 269 153.338 172.884 222.325 1.00 52.12 C +ATOM 3746 H THR A 269 150.700 171.617 223.209 1.00 64.16 H +ATOM 3747 HA THR A 269 151.946 173.662 224.481 1.00 60.43 H +ATOM 3748 HB THR A 269 152.266 174.623 222.376 1.00 50.02 H +ATOM 3749 HG1 THR A 269 150.973 172.520 221.386 1.00 41.58 H +ATOM 3750 HG21 THR A 269 153.773 173.068 221.478 1.00 62.54 H +ATOM 3751 HG22 THR A 269 153.937 173.128 223.047 1.00 62.54 H +ATOM 3752 HG23 THR A 269 153.147 171.934 222.381 1.00 62.54 H +ATOM 3753 N GLN A 270 148.962 173.760 223.450 1.00 46.63 N +ATOM 3754 CA GLN A 270 147.724 174.531 223.306 1.00 60.01 C +ATOM 3755 C GLN A 270 147.826 175.529 222.153 1.00 52.67 C +ATOM 3756 O GLN A 270 147.035 176.466 222.066 1.00 51.46 O +ATOM 3757 CB GLN A 270 147.361 175.263 224.606 1.00 59.32 C +ATOM 3758 CG GLN A 270 147.124 174.340 225.782 1.00 64.73 C +ATOM 3759 CD GLN A 270 145.896 173.477 225.592 1.00 71.63 C +ATOM 3760 OE1 GLN A 270 145.997 172.292 225.267 1.00 69.43 O +ATOM 3761 NE2 GLN A 270 144.725 174.068 225.788 1.00 78.38 N +ATOM 3762 H GLN A 270 148.867 172.926 223.261 1.00 55.96 H +ATOM 3763 HA GLN A 270 147.000 173.919 223.101 1.00 72.01 H +ATOM 3764 HB2 GLN A 270 148.088 175.861 224.840 1.00 71.19 H +ATOM 3765 HB3 GLN A 270 146.549 175.773 224.461 1.00 71.19 H +ATOM 3766 HG2 GLN A 270 147.891 173.755 225.887 1.00 77.68 H +ATOM 3767 HG3 GLN A 270 146.998 174.872 226.583 1.00 77.68 H +ATOM 3768 HE21 GLN A 270 144.694 174.898 226.010 1.00 94.05 H +ATOM 3769 HE22 GLN A 270 143.996 173.621 225.692 1.00 94.05 H +ATOM 3770 N ALA A 271 148.796 175.315 221.268 1.00 51.02 N +ATOM 3771 CA ALA A 271 148.944 176.136 220.073 1.00 49.19 C +ATOM 3772 C ALA A 271 148.111 175.558 218.935 1.00 42.69 C +ATOM 3773 O ALA A 271 148.329 174.423 218.515 1.00 47.16 O +ATOM 3774 CB ALA A 271 150.405 176.228 219.669 1.00 41.80 C +ATOM 3775 H ALA A 271 149.386 174.694 221.339 1.00 61.22 H +ATOM 3776 HA ALA A 271 148.623 177.032 220.259 1.00 59.02 H +ATOM 3777 HB1 ALA A 271 150.478 176.778 218.873 1.00 50.15 H +ATOM 3778 HB2 ALA A 271 150.908 176.628 220.395 1.00 50.15 H +ATOM 3779 HB3 ALA A 271 150.739 175.336 219.487 1.00 50.15 H +ATOM 3780 N GLU A 272 147.156 176.341 218.444 1.00 53.35 N +ATOM 3781 CA GLU A 272 146.262 175.894 217.380 1.00 46.63 C +ATOM 3782 C GLU A 272 147.010 175.537 216.102 1.00 48.95 C +ATOM 3783 O GLU A 272 147.928 176.244 215.688 1.00 45.65 O +ATOM 3784 CB GLU A 272 145.222 176.973 217.067 1.00 71.60 C +ATOM 3785 CG GLU A 272 144.004 176.961 217.974 1.00 94.98 C +ATOM 3786 CD GLU A 272 142.935 177.937 217.522 1.00112.95 C +ATOM 3787 OE1 GLU A 272 143.179 178.681 216.549 1.00115.76 O +ATOM 3788 OE2 GLU A 272 141.850 177.957 218.138 1.00120.78 O +ATOM 3789 H GLU A 272 147.004 177.144 218.712 1.00 64.02 H +ATOM 3790 HA GLU A 272 145.789 175.102 217.680 1.00 55.96 H +ATOM 3791 HB2 GLU A 272 145.643 177.843 217.153 1.00 85.92 H +ATOM 3792 HB3 GLU A 272 144.912 176.849 216.157 1.00 85.92 H +ATOM 3793 HG2 GLU A 272 143.618 176.071 217.974 1.00113.97 H +ATOM 3794 HG3 GLU A 272 144.275 177.206 218.872 1.00113.97 H +ATOM 3795 N MET A 273 146.602 174.431 215.487 1.00 42.52 N +ATOM 3796 CA MET A 273 147.074 174.043 214.166 1.00 39.89 C +ATOM 3797 C MET A 273 145.874 173.730 213.285 1.00 40.06 C +ATOM 3798 O MET A 273 144.772 173.523 213.786 1.00 48.71 O +ATOM 3799 CB MET A 273 147.995 172.825 214.242 1.00 36.76 C +ATOM 3800 CG MET A 273 149.313 173.071 214.956 1.00 46.54 C +ATOM 3801 SD MET A 273 150.425 174.165 214.052 1.00 31.53 S +ATOM 3802 CE MET A 273 150.838 173.176 212.618 1.00 37.21 C +ATOM 3803 H MET A 273 146.039 173.876 215.826 1.00 51.02 H +ATOM 3804 HA MET A 273 147.573 174.777 213.777 1.00 47.87 H +ATOM 3805 HB2 MET A 273 147.533 172.116 214.717 1.00 44.11 H +ATOM 3806 HB3 MET A 273 148.200 172.534 213.340 1.00 44.11 H +ATOM 3807 HG2 MET A 273 149.132 173.477 215.818 1.00 55.85 H +ATOM 3808 HG3 MET A 273 149.766 172.223 215.080 1.00 55.85 H +ATOM 3809 HE1 MET A 273 151.444 173.678 212.052 1.00 44.66 H +ATOM 3810 HE2 MET A 273 151.263 172.355 212.913 1.00 44.66 H +ATOM 3811 HE3 MET A 273 150.024 172.970 212.132 1.00 44.66 H +ATOM 3812 N ILE A 274 146.089 173.700 211.975 1.00 42.89 N +ATOM 3813 CA ILE A 274 145.062 173.254 211.045 1.00 37.15 C +ATOM 3814 C ILE A 274 145.257 171.779 210.736 1.00 46.49 C +ATOM 3815 O ILE A 274 146.179 171.400 210.014 1.00 44.76 O +ATOM 3816 CB ILE A 274 145.081 174.053 209.732 1.00 34.52 C +ATOM 3817 CG1 ILE A 274 144.899 175.548 210.012 1.00 40.56 C +ATOM 3818 CG2 ILE A 274 143.995 173.550 208.781 1.00 46.96 C +ATOM 3819 CD1 ILE A 274 143.652 175.890 210.809 1.00 70.90 C +ATOM 3820 H ILE A 274 146.826 173.934 211.598 1.00 51.47 H +ATOM 3821 HA ILE A 274 144.190 173.366 211.455 1.00 44.58 H +ATOM 3822 HB ILE A 274 145.944 173.924 209.307 1.00 41.42 H +ATOM 3823 HG12 ILE A 274 145.665 175.865 210.514 1.00 48.67 H +ATOM 3824 HG13 ILE A 274 144.845 176.018 209.165 1.00 48.67 H +ATOM 3825 HG21 ILE A 274 144.028 174.068 207.962 1.00 56.35 H +ATOM 3826 HG22 ILE A 274 144.156 172.613 208.587 1.00 56.35 H +ATOM 3827 HG23 ILE A 274 143.130 173.656 209.206 1.00 56.35 H +ATOM 3828 HD11 ILE A 274 143.615 176.850 210.940 1.00 85.08 H +ATOM 3829 HD12 ILE A 274 142.871 175.592 210.315 1.00 85.08 H +ATOM 3830 HD13 ILE A 274 143.693 175.440 211.667 1.00 85.08 H +ATOM 3831 N TYR A 275 144.378 170.959 211.299 1.00 52.16 N +ATOM 3832 CA TYR A 275 144.367 169.527 211.038 1.00 55.74 C +ATOM 3833 C TYR A 275 142.941 169.059 210.783 1.00 58.86 C +ATOM 3834 O TYR A 275 142.029 169.439 211.509 1.00 72.73 O +ATOM 3835 CB TYR A 275 144.963 168.755 212.215 1.00 58.12 C +ATOM 3836 CG TYR A 275 146.470 168.803 212.285 1.00 47.86 C +ATOM 3837 CD1 TYR A 275 147.247 168.131 211.352 1.00 51.73 C +ATOM 3838 CD2 TYR A 275 147.115 169.507 213.291 1.00 42.93 C +ATOM 3839 CE1 TYR A 275 148.621 168.166 211.413 1.00 50.02 C +ATOM 3840 CE2 TYR A 275 148.493 169.548 213.359 1.00 47.04 C +ATOM 3841 CZ TYR A 275 149.240 168.875 212.418 1.00 43.74 C +ATOM 3842 OH TYR A 275 150.612 168.911 212.477 1.00 38.27 O +ATOM 3843 H TYR A 275 143.765 171.214 211.847 1.00 62.59 H +ATOM 3844 HA TYR A 275 144.898 169.339 210.248 1.00 66.88 H +ATOM 3845 HB2 TYR A 275 144.617 169.129 213.040 1.00 69.74 H +ATOM 3846 HB3 TYR A 275 144.700 167.824 212.142 1.00 69.74 H +ATOM 3847 HD1 TYR A 275 146.832 167.651 210.672 1.00 62.07 H +ATOM 3848 HD2 TYR A 275 146.612 169.962 213.927 1.00 51.51 H +ATOM 3849 HE1 TYR A 275 149.128 167.713 210.779 1.00 60.02 H +ATOM 3850 HE2 TYR A 275 148.914 170.026 214.036 1.00 56.45 H +ATOM 3851 HH TYR A 275 150.859 169.374 213.133 1.00 45.93 H +ATOM 3852 N PRO A 276 142.736 168.239 209.742 1.00 68.11 N +ATOM 3853 CA PRO A 276 141.390 167.684 209.585 1.00 68.03 C +ATOM 3854 C PRO A 276 141.078 166.704 210.715 1.00 69.38 C +ATOM 3855 O PRO A 276 142.008 166.185 211.328 1.00 69.72 O +ATOM 3856 CB PRO A 276 141.449 166.988 208.224 1.00 73.10 C +ATOM 3857 CG PRO A 276 142.887 166.706 207.997 1.00 75.91 C +ATOM 3858 CD PRO A 276 143.634 167.825 208.650 1.00 68.57 C +ATOM 3859 HA PRO A 276 140.725 168.390 209.567 1.00 81.63 H +ATOM 3860 HB2 PRO A 276 140.938 166.163 208.256 1.00 87.72 H +ATOM 3861 HB3 PRO A 276 141.103 167.580 207.538 1.00 87.72 H +ATOM 3862 HG2 PRO A 276 143.119 165.857 208.405 1.00 91.09 H +ATOM 3863 HG3 PRO A 276 143.067 166.686 207.044 1.00 91.09 H +ATOM 3864 HD2 PRO A 276 144.477 167.506 209.008 1.00 82.28 H +ATOM 3865 HD3 PRO A 276 143.765 168.555 208.025 1.00 82.28 H +ATOM 3866 N PRO A 277 139.787 166.451 210.985 1.00 73.37 N +ATOM 3867 CA PRO A 277 139.353 165.667 212.150 1.00 66.17 C +ATOM 3868 C PRO A 277 139.998 164.283 212.281 1.00 71.01 C +ATOM 3869 O PRO A 277 140.053 163.743 213.387 1.00 60.34 O +ATOM 3870 CB PRO A 277 137.843 165.524 211.925 1.00 64.51 C +ATOM 3871 CG PRO A 277 137.473 166.666 211.059 1.00 62.25 C +ATOM 3872 CD PRO A 277 138.645 166.907 210.173 1.00 65.19 C +ATOM 3873 HA PRO A 277 139.507 166.168 212.966 1.00 79.40 H +ATOM 3874 HB2 PRO A 277 137.656 164.682 211.481 1.00 77.41 H +ATOM 3875 HB3 PRO A 277 137.380 165.574 212.776 1.00 77.41 H +ATOM 3876 HG2 PRO A 277 136.691 166.434 210.533 1.00 74.70 H +ATOM 3877 HG3 PRO A 277 137.295 167.445 211.608 1.00 74.70 H +ATOM 3878 HD2 PRO A 277 138.572 166.377 209.364 1.00 78.23 H +ATOM 3879 HD3 PRO A 277 138.728 167.853 209.973 1.00 78.23 H +ATOM 3880 N GLN A 278 140.481 163.721 211.179 1.00 65.47 N +ATOM 3881 CA GLN A 278 140.983 162.350 211.183 1.00 66.65 C +ATOM 3882 C GLN A 278 142.324 162.233 211.897 1.00 70.17 C +ATOM 3883 O GLN A 278 142.627 161.200 212.497 1.00 73.50 O +ATOM 3884 CB GLN A 278 141.123 161.821 209.754 1.00 67.20 C +ATOM 3885 CG GLN A 278 139.902 162.048 208.876 1.00 71.19 C +ATOM 3886 CD GLN A 278 139.937 163.382 208.155 1.00 70.51 C +ATOM 3887 OE1 GLN A 278 140.957 163.763 207.580 1.00 69.80 O +ATOM 3888 NE2 GLN A 278 138.820 164.100 208.184 1.00 72.39 N +ATOM 3889 H GLN A 278 140.529 164.111 210.414 1.00 78.57 H +ATOM 3890 HA GLN A 278 140.347 161.784 211.649 1.00 79.99 H +ATOM 3891 HB2 GLN A 278 141.876 162.263 209.332 1.00 80.64 H +ATOM 3892 HB3 GLN A 278 141.285 160.865 209.792 1.00 80.64 H +ATOM 3893 HG2 GLN A 278 139.859 161.347 208.207 1.00 85.43 H +ATOM 3894 HG3 GLN A 278 139.106 162.028 209.430 1.00 85.43 H +ATOM 3895 HE21 GLN A 278 138.128 163.801 208.597 1.00 86.87 H +ATOM 3896 HE22 GLN A 278 138.790 164.863 207.790 1.00 86.87 H +ATOM 3897 N VAL A 279 143.126 163.291 211.822 1.00 74.79 N +ATOM 3898 CA VAL A 279 144.473 163.276 212.388 1.00 68.61 C +ATOM 3899 C VAL A 279 144.409 163.054 213.902 1.00 63.89 C +ATOM 3900 O VAL A 279 143.812 163.856 214.619 1.00 62.93 O +ATOM 3901 CB VAL A 279 145.225 164.590 212.092 1.00 68.87 C +ATOM 3902 CG1 VAL A 279 146.666 164.509 212.584 1.00 65.34 C +ATOM 3903 CG2 VAL A 279 145.200 164.895 210.599 1.00 60.26 C +ATOM 3904 H VAL A 279 142.912 164.035 211.447 1.00 89.75 H +ATOM 3905 HA VAL A 279 144.975 162.545 211.995 1.00 82.33 H +ATOM 3906 HB VAL A 279 144.787 165.320 212.557 1.00 82.64 H +ATOM 3907 HG11 VAL A 279 147.115 165.346 212.386 1.00 78.41 H +ATOM 3908 HG12 VAL A 279 146.664 164.353 213.541 1.00 78.41 H +ATOM 3909 HG13 VAL A 279 147.114 163.778 212.130 1.00 78.41 H +ATOM 3910 HG21 VAL A 279 145.678 165.723 210.438 1.00 72.31 H +ATOM 3911 HG22 VAL A 279 145.628 164.167 210.122 1.00 72.31 H +ATOM 3912 HG23 VAL A 279 144.278 164.983 210.311 1.00 72.31 H +ATOM 3913 N PRO A 280 145.019 161.962 214.400 1.00 52.32 N +ATOM 3914 CA PRO A 280 144.961 161.696 215.843 1.00 60.48 C +ATOM 3915 C PRO A 280 145.808 162.670 216.657 1.00 59.10 C +ATOM 3916 O PRO A 280 146.705 163.310 216.110 1.00 61.15 O +ATOM 3917 CB PRO A 280 145.499 160.268 215.958 1.00 53.75 C +ATOM 3918 CG PRO A 280 146.376 160.101 214.783 1.00 51.97 C +ATOM 3919 CD PRO A 280 145.771 160.917 213.682 1.00 53.63 C +ATOM 3920 HA PRO A 280 144.043 161.723 216.156 1.00 72.57 H +ATOM 3921 HB2 PRO A 280 146.004 160.173 216.780 1.00 64.50 H +ATOM 3922 HB3 PRO A 280 144.763 159.637 215.930 1.00 64.50 H +ATOM 3923 HG2 PRO A 280 147.266 160.425 214.995 1.00 62.36 H +ATOM 3924 HG3 PRO A 280 146.407 159.165 214.533 1.00 62.36 H +ATOM 3925 HD2 PRO A 280 146.467 161.316 213.136 1.00 64.36 H +ATOM 3926 HD3 PRO A 280 145.170 160.373 213.150 1.00 64.36 H +ATOM 3927 N GLU A 281 145.521 162.755 217.955 1.00 54.28 N +ATOM 3928 CA GLU A 281 146.128 163.749 218.839 1.00 61.19 C +ATOM 3929 C GLU A 281 147.652 163.774 218.765 1.00 66.69 C +ATOM 3930 O GLU A 281 148.262 164.842 218.687 1.00 65.59 O +ATOM 3931 CB GLU A 281 145.707 163.493 220.292 1.00 62.14 C +ATOM 3932 CG GLU A 281 144.206 163.359 220.518 1.00 78.21 C +ATOM 3933 CD GLU A 281 143.453 164.645 220.251 1.00 87.87 C +ATOM 3934 OE1 GLU A 281 143.606 165.599 221.041 1.00 90.67 O +ATOM 3935 OE2 GLU A 281 142.705 164.702 219.251 1.00 97.64 O +ATOM 3936 H GLU A 281 144.966 162.235 218.356 1.00 65.14 H +ATOM 3937 HA GLU A 281 145.805 164.628 218.587 1.00 73.43 H +ATOM 3938 HB2 GLU A 281 146.123 162.669 220.592 1.00 74.56 H +ATOM 3939 HB3 GLU A 281 146.020 164.231 220.837 1.00 74.56 H +ATOM 3940 HG2 GLU A 281 143.857 162.678 219.921 1.00 93.85 H +ATOM 3941 HG3 GLU A 281 144.047 163.105 221.440 1.00 93.85 H +ATOM 3942 N HIS A 282 148.265 162.594 218.790 1.00 56.90 N +ATOM 3943 CA HIS A 282 149.714 162.494 218.928 1.00 63.66 C +ATOM 3944 C HIS A 282 150.464 162.842 217.643 1.00 52.66 C +ATOM 3945 O HIS A 282 151.678 163.037 217.669 1.00 52.39 O +ATOM 3946 CB HIS A 282 150.100 161.087 219.384 1.00 79.10 C +ATOM 3947 CG HIS A 282 149.876 160.032 218.347 1.00 69.06 C +ATOM 3948 ND1 HIS A 282 148.660 159.408 218.169 1.00 65.08 N +ATOM 3949 CD2 HIS A 282 150.714 159.488 217.434 1.00 61.23 C +ATOM 3950 CE1 HIS A 282 148.759 158.527 217.190 1.00 66.17 C +ATOM 3951 NE2 HIS A 282 149.996 158.556 216.726 1.00 64.40 N +ATOM 3952 H HIS A 282 147.863 161.836 218.729 1.00 68.28 H +ATOM 3953 HA HIS A 282 150.003 163.116 219.614 1.00 76.39 H +ATOM 3954 HB2 HIS A 282 151.043 161.081 219.614 1.00 94.92 H +ATOM 3955 HB3 HIS A 282 149.570 160.854 220.163 1.00 94.92 H +ATOM 3956 HD2 HIS A 282 151.610 159.707 217.308 1.00 73.48 H +ATOM 3957 HE1 HIS A 282 148.075 157.979 216.879 1.00 79.41 H +ATOM 3958 HE2 HIS A 282 150.301 158.070 216.086 1.00 77.28 H +ATOM 3959 N LEU A 283 149.748 162.911 216.525 1.00 49.60 N +ATOM 3960 CA LEU A 283 150.350 163.280 215.246 1.00 49.03 C +ATOM 3961 C LEU A 283 150.089 164.741 214.907 1.00 47.82 C +ATOM 3962 O LEU A 283 150.580 165.249 213.899 1.00 47.61 O +ATOM 3963 CB LEU A 283 149.822 162.387 214.121 1.00 53.78 C +ATOM 3964 CG LEU A 283 150.316 160.937 214.107 1.00 48.30 C +ATOM 3965 CD1 LEU A 283 149.612 160.157 213.012 1.00 53.48 C +ATOM 3966 CD2 LEU A 283 151.829 160.868 213.922 1.00 60.11 C +ATOM 3967 H LEU A 283 148.905 162.747 216.480 1.00 59.52 H +ATOM 3968 HA LEU A 283 151.310 163.153 215.302 1.00 58.84 H +ATOM 3969 HB2 LEU A 283 148.855 162.360 214.184 1.00 64.54 H +ATOM 3970 HB3 LEU A 283 150.076 162.784 213.273 1.00 64.54 H +ATOM 3971 HG LEU A 283 150.099 160.523 214.957 1.00 57.96 H +ATOM 3972 HD11 LEU A 283 149.937 159.243 213.018 1.00 64.18 H +ATOM 3973 HD12 LEU A 283 148.657 160.170 213.179 1.00 64.18 H +ATOM 3974 HD13 LEU A 283 149.805 160.571 212.156 1.00 64.18 H +ATOM 3975 HD21 LEU A 283 152.103 159.938 213.919 1.00 72.13 H +ATOM 3976 HD22 LEU A 283 152.062 161.286 213.078 1.00 72.13 H +ATOM 3977 HD23 LEU A 283 152.258 161.337 214.654 1.00 72.13 H +ATOM 3978 N ARG A 284 149.313 165.415 215.746 1.00 40.17 N +ATOM 3979 CA ARG A 284 149.065 166.837 215.563 1.00 43.96 C +ATOM 3980 C ARG A 284 150.263 167.639 216.057 1.00 40.86 C +ATOM 3981 O ARG A 284 150.268 168.139 217.181 1.00 40.82 O +ATOM 3982 CB ARG A 284 147.791 167.260 216.297 1.00 53.06 C +ATOM 3983 CG ARG A 284 146.524 166.666 215.702 1.00 54.72 C +ATOM 3984 CD ARG A 284 145.309 166.909 216.582 1.00 58.12 C +ATOM 3985 NE ARG A 284 144.128 166.206 216.081 1.00 65.86 N +ATOM 3986 CZ ARG A 284 143.169 166.751 215.336 1.00 73.72 C +ATOM 3987 NH1 ARG A 284 143.220 168.031 214.990 1.00 77.22 N +ATOM 3988 NH2 ARG A 284 142.145 166.010 214.936 1.00 80.74 N +ATOM 3989 H ARG A 284 148.918 165.072 216.429 1.00 48.20 H +ATOM 3990 HA ARG A 284 148.945 167.021 214.618 1.00 52.75 H +ATOM 3991 HB2 ARG A 284 147.851 166.970 217.221 1.00 63.67 H +ATOM 3992 HB3 ARG A 284 147.714 168.226 216.259 1.00 63.67 H +ATOM 3993 HG2 ARG A 284 146.357 167.073 214.837 1.00 65.66 H +ATOM 3994 HG3 ARG A 284 146.638 165.707 215.603 1.00 65.66 H +ATOM 3995 HD2 ARG A 284 145.495 166.589 217.478 1.00 69.75 H +ATOM 3996 HD3 ARG A 284 145.113 167.859 216.599 1.00 69.75 H +ATOM 3997 HE ARG A 284 144.046 165.374 216.284 1.00 79.03 H +ATOM 3998 HH11 ARG A 284 143.881 168.519 215.244 1.00 92.67 H +ATOM 3999 HH12 ARG A 284 142.593 168.371 214.510 1.00 92.67 H +ATOM 4000 HH21 ARG A 284 142.102 165.180 215.157 1.00 96.89 H +ATOM 4001 HH22 ARG A 284 141.522 166.360 214.457 1.00 96.89 H +ATOM 4002 N PHE A 285 151.285 167.742 215.212 1.00 42.60 N +ATOM 4003 CA PHE A 285 152.481 168.507 215.539 1.00 40.07 C +ATOM 4004 C PHE A 285 152.185 170.001 215.499 1.00 37.24 C +ATOM 4005 O PHE A 285 151.469 170.476 214.621 1.00 30.01 O +ATOM 4006 CB PHE A 285 153.622 168.177 214.571 1.00 47.09 C +ATOM 4007 CG PHE A 285 154.171 166.784 214.716 1.00 47.39 C +ATOM 4008 CD1 PHE A 285 154.230 166.166 215.951 1.00 57.51 C +ATOM 4009 CD2 PHE A 285 154.636 166.097 213.610 1.00 61.55 C +ATOM 4010 CE1 PHE A 285 154.738 164.890 216.078 1.00 48.40 C +ATOM 4011 CE2 PHE A 285 155.144 164.820 213.735 1.00 65.94 C +ATOM 4012 CZ PHE A 285 155.195 164.218 214.970 1.00 48.98 C +ATOM 4013 H PHE A 285 151.308 167.373 214.436 1.00 51.12 H +ATOM 4014 HA PHE A 285 152.770 168.279 216.437 1.00 48.08 H +ATOM 4015 HB2 PHE A 285 153.297 168.273 213.662 1.00 56.51 H +ATOM 4016 HB3 PHE A 285 154.351 168.799 214.725 1.00 56.51 H +ATOM 4017 HD1 PHE A 285 153.923 166.615 216.705 1.00 69.02 H +ATOM 4018 HD2 PHE A 285 154.605 166.499 212.772 1.00 73.86 H +ATOM 4019 HE1 PHE A 285 154.771 164.484 216.914 1.00 58.08 H +ATOM 4020 HE2 PHE A 285 155.453 164.366 212.984 1.00 79.13 H +ATOM 4021 HZ PHE A 285 155.537 163.358 215.055 1.00 58.77 H +ATOM 4022 N ALA A 286 152.752 170.729 216.454 1.00 33.25 N +ATOM 4023 CA ALA A 286 152.521 172.161 216.577 1.00 34.37 C +ATOM 4024 C ALA A 286 153.796 172.946 216.292 1.00 32.80 C +ATOM 4025 O ALA A 286 154.830 172.717 216.917 1.00 29.09 O +ATOM 4026 CB ALA A 286 151.998 172.488 217.962 1.00 33.45 C +ATOM 4027 H ALA A 286 153.282 170.411 217.052 1.00 39.90 H +ATOM 4028 HA ALA A 286 151.850 172.431 215.930 1.00 41.24 H +ATOM 4029 HB1 ALA A 286 151.851 173.445 218.025 1.00 40.14 H +ATOM 4030 HB2 ALA A 286 151.164 172.014 218.104 1.00 40.14 H +ATOM 4031 HB3 ALA A 286 152.654 172.210 218.620 1.00 40.14 H +ATOM 4032 N VAL A 287 153.713 173.866 215.336 1.00 31.19 N +ATOM 4033 CA VAL A 287 154.835 174.733 214.991 1.00 28.26 C +ATOM 4034 C VAL A 287 154.344 176.159 214.769 1.00 35.58 C +ATOM 4035 O VAL A 287 153.147 176.428 214.860 1.00 32.68 O +ATOM 4036 CB VAL A 287 155.578 174.234 213.732 1.00 27.91 C +ATOM 4037 CG1 VAL A 287 156.156 172.850 213.979 1.00 26.13 C +ATOM 4038 CG2 VAL A 287 154.654 174.226 212.522 1.00 28.07 C +ATOM 4039 H VAL A 287 153.007 174.010 214.866 1.00 37.43 H +ATOM 4040 HA VAL A 287 155.466 174.743 215.728 1.00 33.91 H +ATOM 4041 HB VAL A 287 156.314 174.836 213.542 1.00 33.49 H +ATOM 4042 HG11 VAL A 287 156.617 172.554 213.179 1.00 31.35 H +ATOM 4043 HG12 VAL A 287 156.777 172.895 214.722 1.00 31.35 H +ATOM 4044 HG13 VAL A 287 155.432 172.239 214.189 1.00 31.35 H +ATOM 4045 HG21 VAL A 287 155.148 173.909 211.750 1.00 33.68 H +ATOM 4046 HG22 VAL A 287 153.905 173.637 212.700 1.00 33.68 H +ATOM 4047 HG23 VAL A 287 154.334 175.129 212.363 1.00 33.68 H +ATOM 4048 N GLY A 288 155.275 177.063 214.481 1.00 34.49 N +ATOM 4049 CA GLY A 288 154.967 178.476 214.352 1.00 29.63 C +ATOM 4050 C GLY A 288 153.849 178.777 213.371 1.00 24.36 C +ATOM 4051 O GLY A 288 152.935 179.536 213.683 1.00 29.01 O +ATOM 4052 H GLY A 288 156.105 176.876 214.354 1.00 41.39 H +ATOM 4053 HA2 GLY A 288 154.709 178.826 215.219 1.00 35.56 H +ATOM 4054 HA3 GLY A 288 155.761 178.949 214.059 1.00 35.56 H +ATOM 4055 N GLN A 289 153.924 178.175 212.189 1.00 31.23 N +ATOM 4056 CA GLN A 289 152.936 178.404 211.140 1.00 42.52 C +ATOM 4057 C GLN A 289 151.760 177.433 211.253 1.00 44.79 C +ATOM 4058 O GLN A 289 151.933 176.216 211.174 1.00 35.33 O +ATOM 4059 CB GLN A 289 153.593 178.279 209.766 1.00 43.36 C +ATOM 4060 CG GLN A 289 153.469 179.526 208.904 1.00 47.29 C +ATOM 4061 CD GLN A 289 152.087 179.688 208.302 1.00 48.75 C +ATOM 4062 OE1 GLN A 289 151.098 179.195 208.846 1.00 40.08 O +ATOM 4063 NE2 GLN A 289 152.013 180.379 207.168 1.00 47.97 N +ATOM 4064 H GLN A 289 154.544 177.622 211.967 1.00 37.48 H +ATOM 4065 HA GLN A 289 152.589 179.306 211.226 1.00 51.03 H +ATOM 4066 HB2 GLN A 289 154.537 178.096 209.887 1.00 52.03 H +ATOM 4067 HB3 GLN A 289 153.175 177.546 209.287 1.00 52.03 H +ATOM 4068 HG2 GLN A 289 153.651 180.307 209.449 1.00 56.74 H +ATOM 4069 HG3 GLN A 289 154.108 179.472 208.176 1.00 56.74 H +ATOM 4070 HE21 GLN A 289 152.726 180.706 206.816 1.00 57.56 H +ATOM 4071 HE22 GLN A 289 151.251 180.499 206.786 1.00 57.56 H +ATOM 4072 N GLU A 290 150.566 177.993 211.424 1.00 51.53 N +ATOM 4073 CA GLU A 290 149.343 177.213 211.626 1.00 46.57 C +ATOM 4074 C GLU A 290 149.095 176.140 210.564 1.00 46.74 C +ATOM 4075 O GLU A 290 148.443 175.134 210.840 1.00 45.80 O +ATOM 4076 CB GLU A 290 148.129 178.151 211.670 1.00 43.84 C +ATOM 4077 CG GLU A 290 147.917 178.863 213.005 1.00 58.63 C +ATOM 4078 CD GLU A 290 148.664 180.184 213.119 1.00 68.15 C +ATOM 4079 OE1 GLU A 290 149.511 180.482 212.249 1.00 57.63 O +ATOM 4080 OE2 GLU A 290 148.394 180.930 214.085 1.00 53.89 O +ATOM 4081 H GLU A 290 150.433 178.842 211.428 1.00 61.83 H +ATOM 4082 HA GLU A 290 149.400 176.766 212.485 1.00 55.88 H +ATOM 4083 HB2 GLU A 290 148.240 178.833 210.989 1.00 52.61 H +ATOM 4084 HB3 GLU A 290 147.331 177.632 211.485 1.00 52.61 H +ATOM 4085 HG2 GLU A 290 146.971 179.046 213.116 1.00 70.35 H +ATOM 4086 HG3 GLU A 290 148.227 178.285 213.721 1.00 70.35 H +ATOM 4087 N VAL A 291 149.619 176.348 209.358 1.00 42.88 N +ATOM 4088 CA VAL A 291 149.248 175.522 208.209 1.00 40.58 C +ATOM 4089 C VAL A 291 150.280 174.462 207.824 1.00 40.46 C +ATOM 4090 O VAL A 291 150.089 173.740 206.846 1.00 40.74 O +ATOM 4091 CB VAL A 291 148.990 176.399 206.963 1.00 44.33 C +ATOM 4092 CG1 VAL A 291 147.987 177.496 207.284 1.00 48.20 C +ATOM 4093 CG2 VAL A 291 150.291 177.002 206.440 1.00 50.87 C +ATOM 4094 H VAL A 291 150.193 176.962 209.178 1.00 51.46 H +ATOM 4095 HA VAL A 291 148.421 175.060 208.418 1.00 48.70 H +ATOM 4096 HB VAL A 291 148.613 175.846 206.261 1.00 53.20 H +ATOM 4097 HG11 VAL A 291 147.841 178.033 206.490 1.00 57.84 H +ATOM 4098 HG12 VAL A 291 147.153 177.088 207.567 1.00 57.84 H +ATOM 4099 HG13 VAL A 291 148.343 178.050 207.997 1.00 57.84 H +ATOM 4100 HG21 VAL A 291 150.096 177.545 205.660 1.00 61.04 H +ATOM 4101 HG22 VAL A 291 150.687 177.551 207.135 1.00 61.04 H +ATOM 4102 HG23 VAL A 291 150.897 176.284 206.200 1.00 61.04 H +ATOM 4103 N PHE A 292 151.368 174.360 208.578 1.00 46.25 N +ATOM 4104 CA PHE A 292 152.480 173.500 208.177 1.00 54.34 C +ATOM 4105 C PHE A 292 152.220 172.013 208.409 1.00 53.44 C +ATOM 4106 O PHE A 292 153.067 171.176 208.095 1.00 47.62 O +ATOM 4107 CB PHE A 292 153.760 173.924 208.903 1.00 58.73 C +ATOM 4108 CG PHE A 292 154.453 175.111 208.280 1.00 51.87 C +ATOM 4109 CD1 PHE A 292 153.873 175.816 207.235 1.00 39.99 C +ATOM 4110 CD2 PHE A 292 155.697 175.514 208.734 1.00 45.97 C +ATOM 4111 CE1 PHE A 292 154.515 176.895 206.666 1.00 40.79 C +ATOM 4112 CE2 PHE A 292 156.342 176.594 208.168 1.00 37.24 C +ATOM 4113 CZ PHE A 292 155.752 177.284 207.133 1.00 39.39 C +ATOM 4114 H PHE A 292 151.489 174.774 209.321 1.00 55.50 H +ATOM 4115 HA PHE A 292 152.632 173.621 207.227 1.00 65.21 H +ATOM 4116 HB2 PHE A 292 153.537 174.157 209.818 1.00 70.47 H +ATOM 4117 HB3 PHE A 292 154.383 173.180 208.896 1.00 70.47 H +ATOM 4118 HD1 PHE A 292 153.039 175.557 206.915 1.00 47.98 H +ATOM 4119 HD2 PHE A 292 156.102 175.052 209.432 1.00 55.16 H +ATOM 4120 HE1 PHE A 292 154.114 177.360 205.967 1.00 48.95 H +ATOM 4121 HE2 PHE A 292 157.177 176.855 208.484 1.00 44.69 H +ATOM 4122 HZ PHE A 292 156.186 178.013 206.751 1.00 47.27 H +ATOM 4123 N GLY A 293 151.045 171.680 208.931 1.00 50.87 N +ATOM 4124 CA GLY A 293 150.628 170.293 209.002 1.00 55.43 C +ATOM 4125 C GLY A 293 150.191 169.781 207.638 1.00 57.76 C +ATOM 4126 O GLY A 293 150.082 168.574 207.431 1.00 54.14 O +ATOM 4127 H GLY A 293 150.475 172.239 209.249 1.00 61.05 H +ATOM 4128 HA2 GLY A 293 151.364 169.746 209.318 1.00 66.52 H +ATOM 4129 HA3 GLY A 293 149.886 170.206 209.620 1.00 66.52 H +ATOM 4130 N LEU A 294 149.946 170.706 206.711 1.00 65.96 N +ATOM 4131 CA LEU A 294 149.464 170.393 205.366 1.00 55.83 C +ATOM 4132 C LEU A 294 150.233 169.263 204.691 1.00 56.62 C +ATOM 4133 O LEU A 294 149.622 168.319 204.193 1.00 52.95 O +ATOM 4134 CB LEU A 294 149.526 171.645 204.487 1.00 64.90 C +ATOM 4135 CG LEU A 294 149.059 171.524 203.031 1.00 74.33 C +ATOM 4136 CD1 LEU A 294 147.562 171.267 202.938 1.00 56.35 C +ATOM 4137 CD2 LEU A 294 149.437 172.775 202.252 1.00 60.68 C +ATOM 4138 H LEU A 294 150.056 171.549 206.843 1.00 79.15 H +ATOM 4139 HA LEU A 294 148.535 170.121 205.425 1.00 67.00 H +ATOM 4140 HB2 LEU A 294 148.979 172.329 204.903 1.00 77.88 H +ATOM 4141 HB3 LEU A 294 150.448 171.948 204.464 1.00 77.88 H +ATOM 4142 HG LEU A 294 149.513 170.772 202.620 1.00 89.20 H +ATOM 4143 HD11 LEU A 294 147.311 171.198 202.003 1.00 67.62 H +ATOM 4144 HD12 LEU A 294 147.355 170.439 203.399 1.00 67.62 H +ATOM 4145 HD13 LEU A 294 147.089 172.005 203.354 1.00 67.62 H +ATOM 4146 HD21 LEU A 294 149.134 172.679 201.335 1.00 72.81 H +ATOM 4147 HD22 LEU A 294 149.011 173.543 202.663 1.00 72.81 H +ATOM 4148 HD23 LEU A 294 150.401 172.880 202.272 1.00 72.81 H +ATOM 4149 N VAL A 295 151.560 169.351 204.676 1.00 56.13 N +ATOM 4150 CA VAL A 295 152.372 168.308 204.052 1.00 60.18 C +ATOM 4151 C VAL A 295 153.622 167.977 204.866 1.00 42.46 C +ATOM 4152 O VAL A 295 154.223 168.862 205.468 1.00 45.03 O +ATOM 4153 CB VAL A 295 152.806 168.703 202.629 1.00 54.11 C +ATOM 4154 CG1 VAL A 295 151.622 168.658 201.689 1.00 60.18 C +ATOM 4155 CG2 VAL A 295 153.445 170.080 202.623 1.00 54.65 C +ATOM 4156 H VAL A 295 152.013 169.999 205.016 1.00 67.36 H +ATOM 4157 HA VAL A 295 151.841 167.499 203.984 1.00 72.22 H +ATOM 4158 HB VAL A 295 153.465 168.065 202.312 1.00 64.93 H +ATOM 4159 HG11 VAL A 295 151.916 168.909 200.800 1.00 72.21 H +ATOM 4160 HG12 VAL A 295 151.263 167.756 201.677 1.00 72.21 H +ATOM 4161 HG13 VAL A 295 150.947 169.279 202.003 1.00 72.21 H +ATOM 4162 HG21 VAL A 295 153.708 170.302 201.716 1.00 65.58 H +ATOM 4163 HG22 VAL A 295 152.801 170.728 202.949 1.00 65.58 H +ATOM 4164 HG23 VAL A 295 154.225 170.069 203.200 1.00 65.58 H +ATOM 4165 N PRO A 296 154.025 166.693 204.881 1.00 47.35 N +ATOM 4166 CA PRO A 296 155.212 166.250 205.628 1.00 50.42 C +ATOM 4167 C PRO A 296 156.497 166.954 205.202 1.00 42.31 C +ATOM 4168 O PRO A 296 157.444 167.028 205.986 1.00 34.82 O +ATOM 4169 CB PRO A 296 155.288 164.755 205.302 1.00 62.98 C +ATOM 4170 CG PRO A 296 153.917 164.382 204.913 1.00 49.05 C +ATOM 4171 CD PRO A 296 153.352 165.560 204.222 1.00 51.69 C +ATOM 4172 HA PRO A 296 155.077 166.368 206.581 1.00 60.51 H +ATOM 4173 HB2 PRO A 296 155.905 164.610 204.568 1.00 75.58 H +ATOM 4174 HB3 PRO A 296 155.568 164.262 206.089 1.00 75.58 H +ATOM 4175 HG2 PRO A 296 153.946 163.619 204.315 1.00 58.86 H +ATOM 4176 HG3 PRO A 296 153.400 164.174 205.707 1.00 58.86 H +ATOM 4177 HD2 PRO A 296 153.573 165.537 203.278 1.00 62.03 H +ATOM 4178 HD3 PRO A 296 152.393 165.607 204.362 1.00 62.03 H +ATOM 4179 N GLY A 297 156.529 167.451 203.969 1.00 42.46 N +ATOM 4180 CA GLY A 297 157.680 168.176 203.465 1.00 44.40 C +ATOM 4181 C GLY A 297 157.897 169.474 204.217 1.00 39.81 C +ATOM 4182 O GLY A 297 159.032 169.866 204.487 1.00 34.72 O +ATOM 4183 H GLY A 297 155.886 167.379 203.402 1.00 50.95 H +ATOM 4184 HA2 GLY A 297 158.476 167.629 203.557 1.00 53.28 H +ATOM 4185 HA3 GLY A 297 157.551 168.381 202.526 1.00 53.28 H +ATOM 4186 N LEU A 298 156.803 170.147 204.555 1.00 45.19 N +ATOM 4187 CA LEU A 298 156.868 171.363 205.354 1.00 42.66 C +ATOM 4188 C LEU A 298 157.307 171.044 206.770 1.00 38.13 C +ATOM 4189 O LEU A 298 158.178 171.712 207.329 1.00 29.89 O +ATOM 4190 CB LEU A 298 155.514 172.069 205.382 1.00 34.12 C +ATOM 4191 CG LEU A 298 155.085 172.754 204.087 1.00 43.44 C +ATOM 4192 CD1 LEU A 298 153.645 173.211 204.195 1.00 53.24 C +ATOM 4193 CD2 LEU A 298 155.999 173.926 203.785 1.00 49.16 C +ATOM 4194 H LEU A 298 156.005 169.918 204.332 1.00 54.23 H +ATOM 4195 HA LEU A 298 157.519 171.968 204.963 1.00 51.20 H +ATOM 4196 HB2 LEU A 298 154.834 171.414 205.601 1.00 40.94 H +ATOM 4197 HB3 LEU A 298 155.540 172.750 206.073 1.00 40.94 H +ATOM 4198 HG LEU A 298 155.149 172.121 203.354 1.00 52.13 H +ATOM 4199 HD11 LEU A 298 153.388 173.643 203.366 1.00 63.89 H +ATOM 4200 HD12 LEU A 298 153.080 172.439 204.355 1.00 63.89 H +ATOM 4201 HD13 LEU A 298 153.567 173.837 204.932 1.00 63.89 H +ATOM 4202 HD21 LEU A 298 155.711 174.346 202.960 1.00 58.99 H +ATOM 4203 HD22 LEU A 298 155.949 174.561 204.517 1.00 58.99 H +ATOM 4204 HD23 LEU A 298 156.908 173.600 203.691 1.00 58.99 H +ATOM 4205 N MET A 299 156.690 170.015 207.340 1.00 34.86 N +ATOM 4206 CA MET A 299 156.956 169.614 208.711 1.00 36.20 C +ATOM 4207 C MET A 299 158.388 169.106 208.847 1.00 32.42 C +ATOM 4208 O MET A 299 158.971 169.160 209.928 1.00 31.40 O +ATOM 4209 CB MET A 299 155.951 168.544 209.152 1.00 35.84 C +ATOM 4210 CG MET A 299 155.941 168.246 210.645 1.00 48.41 C +ATOM 4211 SD MET A 299 155.616 169.671 211.707 1.00 36.88 S +ATOM 4212 CE MET A 299 154.061 170.265 211.059 1.00 33.77 C +ATOM 4213 H MET A 299 156.103 169.527 206.944 1.00 41.83 H +ATOM 4214 HA MET A 299 156.842 170.384 209.290 1.00 43.44 H +ATOM 4215 HB2 MET A 299 155.060 168.839 208.907 1.00 43.01 H +ATOM 4216 HB3 MET A 299 156.159 167.717 208.690 1.00 43.01 H +ATOM 4217 HG2 MET A 299 155.253 167.586 210.823 1.00 58.09 H +ATOM 4218 HG3 MET A 299 156.807 167.887 210.894 1.00 58.09 H +ATOM 4219 HE1 MET A 299 154.177 170.500 210.125 1.00 40.52 H +ATOM 4220 HE2 MET A 299 153.396 169.563 211.144 1.00 40.52 H +ATOM 4221 HE3 MET A 299 153.786 171.045 211.565 1.00 40.52 H +ATOM 4222 N MET A 300 158.951 168.615 207.746 1.00 35.13 N +ATOM 4223 CA MET A 300 160.352 168.207 207.722 1.00 37.25 C +ATOM 4224 C MET A 300 161.252 169.397 208.024 1.00 31.78 C +ATOM 4225 O MET A 300 162.116 169.326 208.898 1.00 30.80 O +ATOM 4226 CB MET A 300 160.728 167.607 206.365 1.00 38.59 C +ATOM 4227 CG MET A 300 162.186 167.144 206.268 1.00 38.19 C +ATOM 4228 SD MET A 300 162.758 166.926 204.571 1.00 38.70 S +ATOM 4229 CE MET A 300 162.833 168.627 204.014 1.00 35.05 C +ATOM 4230 H MET A 300 158.541 168.508 206.998 1.00 42.16 H +ATOM 4231 HA MET A 300 160.493 167.527 208.399 1.00 44.70 H +ATOM 4232 HB2 MET A 300 160.162 166.837 206.197 1.00 46.30 H +ATOM 4233 HB3 MET A 300 160.584 168.276 205.677 1.00 46.30 H +ATOM 4234 HG2 MET A 300 162.754 167.807 206.690 1.00 45.83 H +ATOM 4235 HG3 MET A 300 162.275 166.293 206.724 1.00 45.83 H +ATOM 4236 HE1 MET A 300 163.135 168.644 203.092 1.00 42.06 H +ATOM 4237 HE2 MET A 300 161.948 169.019 204.080 1.00 42.06 H +ATOM 4238 HE3 MET A 300 163.455 169.116 204.576 1.00 42.06 H +ATOM 4239 N TYR A 301 161.049 170.489 207.291 1.00 28.90 N +ATOM 4240 CA TYR A 301 161.842 171.698 207.488 1.00 29.55 C +ATOM 4241 C TYR A 301 161.546 172.352 208.830 1.00 23.71 C +ATOM 4242 O TYR A 301 162.438 172.922 209.455 1.00 25.85 O +ATOM 4243 CB TYR A 301 161.596 172.695 206.356 1.00 32.32 C +ATOM 4244 CG TYR A 301 162.479 172.469 205.155 1.00 32.02 C +ATOM 4245 CD1 TYR A 301 163.853 172.641 205.245 1.00 24.51 C +ATOM 4246 CD2 TYR A 301 161.943 172.085 203.934 1.00 31.28 C +ATOM 4247 CE1 TYR A 301 164.668 172.434 204.155 1.00 38.28 C +ATOM 4248 CE2 TYR A 301 162.754 171.878 202.835 1.00 30.20 C +ATOM 4249 CZ TYR A 301 164.115 172.054 202.951 1.00 37.53 C +ATOM 4250 OH TYR A 301 164.929 171.849 201.864 1.00 38.94 O +ATOM 4251 H TYR A 301 160.456 170.555 206.671 1.00 34.68 H +ATOM 4252 HA TYR A 301 162.782 171.460 207.475 1.00 35.46 H +ATOM 4253 HB2 TYR A 301 160.673 172.619 206.066 1.00 38.78 H +ATOM 4254 HB3 TYR A 301 161.765 173.592 206.686 1.00 38.78 H +ATOM 4255 HD1 TYR A 301 164.230 172.897 206.055 1.00 29.41 H +ATOM 4256 HD2 TYR A 301 161.024 171.966 203.854 1.00 37.53 H +ATOM 4257 HE1 TYR A 301 165.588 172.553 204.230 1.00 45.93 H +ATOM 4258 HE2 TYR A 301 162.383 171.620 202.021 1.00 36.24 H +ATOM 4259 HH TYR A 301 164.469 171.623 201.199 1.00 46.73 H +ATOM 4260 N ALA A 302 160.294 172.272 209.269 1.00 27.94 N +ATOM 4261 CA ALA A 302 159.911 172.773 210.582 1.00 27.46 C +ATOM 4262 C ALA A 302 160.695 172.052 211.674 1.00 26.79 C +ATOM 4263 O ALA A 302 161.141 172.666 212.641 1.00 29.83 O +ATOM 4264 CB ALA A 302 158.418 172.605 210.803 1.00 32.96 C +ATOM 4265 H ALA A 302 159.645 171.929 208.821 1.00 33.53 H +ATOM 4266 HA ALA A 302 160.119 173.719 210.635 1.00 32.96 H +ATOM 4267 HB1 ALA A 302 158.189 172.945 211.682 1.00 39.55 H +ATOM 4268 HB2 ALA A 302 157.940 173.101 210.120 1.00 39.55 H +ATOM 4269 HB3 ALA A 302 158.195 171.662 210.744 1.00 39.55 H +ATOM 4270 N THR A 303 160.859 170.744 211.503 1.00 26.97 N +ATOM 4271 CA THR A 303 161.598 169.921 212.453 1.00 29.52 C +ATOM 4272 C THR A 303 163.086 170.257 212.439 1.00 26.28 C +ATOM 4273 O THR A 303 163.715 170.361 213.489 1.00 26.52 O +ATOM 4274 CB THR A 303 161.420 168.419 212.146 1.00 34.73 C +ATOM 4275 OG1 THR A 303 160.036 168.068 212.251 1.00 31.99 O +ATOM 4276 CG2 THR A 303 162.229 167.557 213.112 1.00 35.88 C +ATOM 4277 H THR A 303 160.547 170.304 210.834 1.00 32.36 H +ATOM 4278 HA THR A 303 161.260 170.088 213.346 1.00 35.42 H +ATOM 4279 HB THR A 303 161.729 168.237 211.244 1.00 41.67 H +ATOM 4280 HG1 THR A 303 159.583 168.516 211.703 1.00 38.39 H +ATOM 4281 HG21 THR A 303 162.104 166.618 212.903 1.00 43.06 H +ATOM 4282 HG22 THR A 303 163.172 167.774 213.039 1.00 43.06 H +ATOM 4283 HG23 THR A 303 161.938 167.719 214.023 1.00 43.06 H +ATOM 4284 N ILE A 304 163.644 170.416 211.246 1.00 27.43 N +ATOM 4285 CA ILE A 304 165.063 170.712 211.097 1.00 23.97 C +ATOM 4286 C ILE A 304 165.413 172.056 211.729 1.00 27.18 C +ATOM 4287 O ILE A 304 166.431 172.183 212.408 1.00 26.46 O +ATOM 4288 CB ILE A 304 165.474 170.699 209.606 1.00 29.36 C +ATOM 4289 CG1 ILE A 304 165.425 169.265 209.070 1.00 26.43 C +ATOM 4290 CG2 ILE A 304 166.878 171.285 209.410 1.00 29.43 C +ATOM 4291 CD1 ILE A 304 165.532 169.154 207.565 1.00 24.82 C +ATOM 4292 H ILE A 304 163.219 170.358 210.500 1.00 32.92 H +ATOM 4293 HA ILE A 304 165.575 170.026 211.553 1.00 28.76 H +ATOM 4294 HB ILE A 304 164.842 171.238 209.106 1.00 35.23 H +ATOM 4295 HG12 ILE A 304 166.161 168.764 209.455 1.00 31.71 H +ATOM 4296 HG13 ILE A 304 164.583 168.863 209.335 1.00 31.71 H +ATOM 4297 HG21 ILE A 304 167.101 171.261 208.467 1.00 35.31 H +ATOM 4298 HG22 ILE A 304 166.884 172.201 209.729 1.00 35.31 H +ATOM 4299 HG23 ILE A 304 167.514 170.754 209.915 1.00 35.31 H +ATOM 4300 HD11 ILE A 304 165.493 168.218 207.314 1.00 29.78 H +ATOM 4301 HD12 ILE A 304 164.795 169.637 207.160 1.00 29.78 H +ATOM 4302 HD13 ILE A 304 166.376 169.538 207.280 1.00 29.78 H +ATOM 4303 N TRP A 305 164.568 173.058 211.513 1.00 30.77 N +ATOM 4304 CA TRP A 305 164.821 174.391 212.055 1.00 25.43 C +ATOM 4305 C TRP A 305 164.610 174.439 213.565 1.00 21.92 C +ATOM 4306 O TRP A 305 165.304 175.176 214.263 1.00 27.65 O +ATOM 4307 CB TRP A 305 163.932 175.429 211.373 1.00 28.72 C +ATOM 4308 CG TRP A 305 164.435 175.854 210.032 1.00 20.61 C +ATOM 4309 CD1 TRP A 305 163.873 175.581 208.823 1.00 26.92 C +ATOM 4310 CD2 TRP A 305 165.610 176.626 209.762 1.00 19.74 C +ATOM 4311 NE1 TRP A 305 164.622 176.136 207.815 1.00 23.13 N +ATOM 4312 CE2 TRP A 305 165.696 176.784 208.367 1.00 22.81 C +ATOM 4313 CE3 TRP A 305 166.599 177.199 210.566 1.00 25.63 C +ATOM 4314 CZ2 TRP A 305 166.728 177.492 207.760 1.00 26.35 C +ATOM 4315 CZ3 TRP A 305 167.622 177.901 209.963 1.00 19.97 C +ATOM 4316 CH2 TRP A 305 167.678 178.041 208.574 1.00 23.84 C +ATOM 4317 H TRP A 305 163.842 172.994 211.056 1.00 36.92 H +ATOM 4318 HA TRP A 305 165.744 174.629 211.877 1.00 30.51 H +ATOM 4319 HB2 TRP A 305 163.046 175.053 211.253 1.00 34.46 H +ATOM 4320 HB3 TRP A 305 163.882 176.218 211.936 1.00 34.46 H +ATOM 4321 HD1 TRP A 305 163.093 175.090 208.697 1.00 32.30 H +ATOM 4322 HE1 TRP A 305 164.446 176.086 206.975 1.00 27.76 H +ATOM 4323 HE3 TRP A 305 166.566 177.111 211.492 1.00 30.76 H +ATOM 4324 HZ2 TRP A 305 166.770 177.587 206.836 1.00 31.62 H +ATOM 4325 HZ3 TRP A 305 168.284 178.287 210.489 1.00 23.96 H +ATOM 4326 HH2 TRP A 305 168.380 178.519 208.194 1.00 28.61 H +ATOM 4327 N LEU A 306 163.655 173.662 214.066 1.00 25.12 N +ATOM 4328 CA LEU A 306 163.446 173.555 215.505 1.00 26.82 C +ATOM 4329 C LEU A 306 164.679 172.954 216.163 1.00 27.69 C +ATOM 4330 O LEU A 306 165.112 173.399 217.225 1.00 24.46 O +ATOM 4331 CB LEU A 306 162.217 172.703 215.820 1.00 35.78 C +ATOM 4332 CG LEU A 306 161.913 172.512 217.309 1.00 34.12 C +ATOM 4333 CD1 LEU A 306 161.408 173.800 217.919 1.00 35.83 C +ATOM 4334 CD2 LEU A 306 160.911 171.397 217.522 1.00 39.54 C +ATOM 4335 H LEU A 306 163.116 173.187 213.594 1.00 30.15 H +ATOM 4336 HA LEU A 306 163.305 174.441 215.875 1.00 32.18 H +ATOM 4337 HB2 LEU A 306 161.441 173.123 215.416 1.00 42.94 H +ATOM 4338 HB3 LEU A 306 162.346 171.823 215.434 1.00 42.94 H +ATOM 4339 HG LEU A 306 162.733 172.267 217.767 1.00 40.94 H +ATOM 4340 HD11 LEU A 306 161.224 173.653 218.860 1.00 42.99 H +ATOM 4341 HD12 LEU A 306 162.087 174.485 217.818 1.00 42.99 H +ATOM 4342 HD13 LEU A 306 160.596 174.069 217.461 1.00 42.99 H +ATOM 4343 HD21 LEU A 306 160.741 171.302 218.472 1.00 47.45 H +ATOM 4344 HD22 LEU A 306 160.088 171.621 217.059 1.00 47.45 H +ATOM 4345 HD23 LEU A 306 161.277 170.572 217.166 1.00 47.45 H +ATOM 4346 N ARG A 307 165.235 171.930 215.525 1.00 29.70 N +ATOM 4347 CA ARG A 307 166.464 171.314 215.996 1.00 32.15 C +ATOM 4348 C ARG A 307 167.602 172.323 215.983 1.00 25.40 C +ATOM 4349 O ARG A 307 168.379 172.407 216.930 1.00 26.13 O +ATOM 4350 CB ARG A 307 166.824 170.103 215.137 1.00 29.15 C +ATOM 4351 CG ARG A 307 165.924 168.900 215.353 1.00 30.61 C +ATOM 4352 CD ARG A 307 166.252 167.800 214.370 1.00 31.38 C +ATOM 4353 NE ARG A 307 165.309 166.691 214.442 1.00 31.26 N +ATOM 4354 CZ ARG A 307 165.442 165.554 213.769 1.00 40.69 C +ATOM 4355 NH1 ARG A 307 166.485 165.368 212.970 1.00 33.25 N +ATOM 4356 NH2 ARG A 307 164.532 164.598 213.895 1.00 35.85 N +ATOM 4357 H ARG A 307 164.916 171.573 214.811 1.00 35.64 H +ATOM 4358 HA ARG A 307 166.339 171.011 216.909 1.00 38.58 H +ATOM 4359 HB2 ARG A 307 166.761 170.355 214.202 1.00 34.98 H +ATOM 4360 HB3 ARG A 307 167.733 169.833 215.343 1.00 34.98 H +ATOM 4361 HG2 ARG A 307 166.055 168.557 216.251 1.00 36.73 H +ATOM 4362 HG3 ARG A 307 165.000 169.162 215.223 1.00 36.73 H +ATOM 4363 HD2 ARG A 307 166.224 168.160 213.470 1.00 37.66 H +ATOM 4364 HD3 ARG A 307 167.138 167.455 214.564 1.00 37.66 H +ATOM 4365 HE ARG A 307 164.602 166.795 214.921 1.00 37.51 H +ATOM 4366 HH11 ARG A 307 167.077 165.986 212.886 1.00 39.90 H +ATOM 4367 HH12 ARG A 307 166.569 164.630 212.536 1.00 39.90 H +ATOM 4368 HH21 ARG A 307 163.854 164.715 214.413 1.00 43.02 H +ATOM 4369 HH22 ARG A 307 164.618 163.861 213.460 1.00 43.02 H +ATOM 4370 N GLU A 308 167.693 173.094 214.905 1.00 25.65 N +ATOM 4371 CA GLU A 308 168.739 174.098 214.789 1.00 29.08 C +ATOM 4372 C GLU A 308 168.624 175.132 215.902 1.00 29.01 C +ATOM 4373 O GLU A 308 169.632 175.551 216.467 1.00 29.00 O +ATOM 4374 CB GLU A 308 168.686 174.782 213.420 1.00 31.40 C +ATOM 4375 CG GLU A 308 169.727 175.883 213.224 1.00 31.89 C +ATOM 4376 CD GLU A 308 171.150 175.394 213.394 1.00 30.37 C +ATOM 4377 OE1 GLU A 308 171.380 174.169 213.320 1.00 33.51 O +ATOM 4378 OE2 GLU A 308 172.043 176.239 213.600 1.00 27.55 O +ATOM 4379 H GLU A 308 167.162 173.055 214.230 1.00 30.78 H +ATOM 4380 HA GLU A 308 169.603 173.664 214.872 1.00 34.90 H +ATOM 4381 HB2 GLU A 308 168.832 174.113 212.733 1.00 37.69 H +ATOM 4382 HB3 GLU A 308 167.810 175.182 213.307 1.00 37.69 H +ATOM 4383 HG2 GLU A 308 169.640 176.242 212.327 1.00 38.26 H +ATOM 4384 HG3 GLU A 308 169.572 176.583 213.877 1.00 38.26 H +ATOM 4385 N HIS A 309 167.399 175.533 216.230 1.00 26.90 N +ATOM 4386 CA HIS A 309 167.199 176.508 217.292 1.00 29.65 C +ATOM 4387 C HIS A 309 167.752 176.009 218.622 1.00 31.33 C +ATOM 4388 O HIS A 309 168.460 176.733 219.322 1.00 32.91 O +ATOM 4389 CB HIS A 309 165.721 176.850 217.469 1.00 29.71 C +ATOM 4390 CG HIS A 309 165.467 177.768 218.621 1.00 26.05 C +ATOM 4391 ND1 HIS A 309 165.527 179.139 218.506 1.00 30.31 N +ATOM 4392 CD2 HIS A 309 165.210 177.510 219.924 1.00 30.74 C +ATOM 4393 CE1 HIS A 309 165.291 179.687 219.684 1.00 32.39 C +ATOM 4394 NE2 HIS A 309 165.095 178.720 220.561 1.00 34.59 N +ATOM 4395 H HIS A 309 166.675 175.257 215.856 1.00 32.29 H +ATOM 4396 HA HIS A 309 167.668 177.325 217.061 1.00 35.58 H +ATOM 4397 HB2 HIS A 309 165.399 177.284 216.663 1.00 35.65 H +ATOM 4398 HB3 HIS A 309 165.224 176.031 217.624 1.00 35.65 H +ATOM 4399 HD2 HIS A 309 165.115 176.670 220.312 1.00 36.88 H +ATOM 4400 HE1 HIS A 309 165.266 180.599 219.865 1.00 38.86 H +ATOM 4401 HE2 HIS A 309 164.922 178.830 221.396 1.00 41.51 H +ATOM 4402 N ASN A 310 167.422 174.770 218.970 1.00 32.82 N +ATOM 4403 CA ASN A 310 167.848 174.203 220.241 1.00 35.04 C +ATOM 4404 C ASN A 310 169.327 173.834 220.236 1.00 29.63 C +ATOM 4405 O ASN A 310 169.955 173.760 221.291 1.00 32.96 O +ATOM 4406 CB ASN A 310 166.997 172.982 220.587 1.00 33.68 C +ATOM 4407 CG ASN A 310 165.576 173.354 220.967 1.00 40.76 C +ATOM 4408 OD1 ASN A 310 165.296 174.498 221.321 1.00 38.07 O +ATOM 4409 ND2 ASN A 310 164.671 172.386 220.901 1.00 47.76 N +ATOM 4410 H ASN A 310 166.950 174.238 218.486 1.00 39.39 H +ATOM 4411 HA ASN A 310 167.712 174.864 220.937 1.00 42.05 H +ATOM 4412 HB2 ASN A 310 166.958 172.394 219.816 1.00 40.41 H +ATOM 4413 HB3 ASN A 310 167.398 172.519 221.339 1.00 40.41 H +ATOM 4414 HD21 ASN A 310 163.851 172.548 221.106 1.00 57.31 H +ATOM 4415 HD22 ASN A 310 164.903 171.596 220.652 1.00 57.31 H +ATOM 4416 N ARG A 311 169.885 173.613 219.052 1.00 28.97 N +ATOM 4417 CA ARG A 311 171.320 173.400 218.921 1.00 31.73 C +ATOM 4418 C ARG A 311 172.067 174.701 219.215 1.00 31.83 C +ATOM 4419 O ARG A 311 173.056 174.708 219.944 1.00 33.79 O +ATOM 4420 CB ARG A 311 171.671 172.892 217.522 1.00 28.34 C +ATOM 4421 CG ARG A 311 173.101 172.387 217.384 1.00 31.67 C +ATOM 4422 CD ARG A 311 173.481 172.162 215.927 1.00 34.94 C +ATOM 4423 NE ARG A 311 173.587 173.425 215.200 1.00 32.69 N +ATOM 4424 CZ ARG A 311 174.684 174.174 215.140 1.00 33.18 C +ATOM 4425 NH1 ARG A 311 174.673 175.310 214.456 1.00 30.91 N +ATOM 4426 NH2 ARG A 311 175.795 173.794 215.760 1.00 30.28 N +ATOM 4427 H ARG A 311 169.454 173.582 218.308 1.00 34.76 H +ATOM 4428 HA ARG A 311 171.605 172.734 219.566 1.00 38.08 H +ATOM 4429 HB2 ARG A 311 171.076 172.159 217.299 1.00 34.01 H +ATOM 4430 HB3 ARG A 311 171.551 173.617 216.888 1.00 34.01 H +ATOM 4431 HG2 ARG A 311 173.709 173.043 217.758 1.00 38.00 H +ATOM 4432 HG3 ARG A 311 173.188 171.543 217.854 1.00 38.00 H +ATOM 4433 HD2 ARG A 311 174.341 171.715 215.886 1.00 41.93 H +ATOM 4434 HD3 ARG A 311 172.800 171.621 215.498 1.00 41.93 H +ATOM 4435 HE ARG A 311 172.889 173.704 214.781 1.00 39.22 H +ATOM 4436 HH11 ARG A 311 173.957 175.561 214.051 1.00 37.09 H +ATOM 4437 HH12 ARG A 311 175.383 175.794 214.414 1.00 37.09 H +ATOM 4438 HH21 ARG A 311 175.808 173.059 216.207 1.00 36.33 H +ATOM 4439 HH22 ARG A 311 176.501 174.283 215.716 1.00 36.33 H +ATOM 4440 N VAL A 312 171.585 175.801 218.644 1.00 33.46 N +ATOM 4441 CA VAL A 312 172.205 177.105 218.852 1.00 31.52 C +ATOM 4442 C VAL A 312 172.091 177.516 220.314 1.00 25.31 C +ATOM 4443 O VAL A 312 173.006 178.129 220.862 1.00 28.86 O +ATOM 4444 CB VAL A 312 171.570 178.185 217.947 1.00 27.98 C +ATOM 4445 CG1 VAL A 312 172.044 179.587 218.339 1.00 25.64 C +ATOM 4446 CG2 VAL A 312 171.900 177.907 216.491 1.00 27.11 C +ATOM 4447 H VAL A 312 170.896 175.819 218.130 1.00 40.15 H +ATOM 4448 HA VAL A 312 173.148 177.045 218.630 1.00 37.82 H +ATOM 4449 HB VAL A 312 170.606 178.155 218.048 1.00 33.58 H +ATOM 4450 HG11 VAL A 312 171.626 180.237 217.752 1.00 30.77 H +ATOM 4451 HG12 VAL A 312 171.790 179.760 219.259 1.00 30.77 H +ATOM 4452 HG13 VAL A 312 173.009 179.631 218.248 1.00 30.77 H +ATOM 4453 HG21 VAL A 312 171.494 178.593 215.939 1.00 32.53 H +ATOM 4454 HG22 VAL A 312 172.863 177.917 216.379 1.00 32.53 H +ATOM 4455 HG23 VAL A 312 171.548 177.036 216.249 1.00 32.53 H +ATOM 4456 N CYS A 313 170.968 177.183 220.940 1.00 29.54 N +ATOM 4457 CA CYS A 313 170.797 177.417 222.368 1.00 32.88 C +ATOM 4458 C CYS A 313 171.936 176.769 223.156 1.00 36.10 C +ATOM 4459 O CYS A 313 172.524 177.396 224.037 1.00 28.53 O +ATOM 4460 CB CYS A 313 169.449 176.876 222.849 1.00 38.63 C +ATOM 4461 SG CYS A 313 168.038 177.974 222.556 1.00 31.28 S +ATOM 4462 H CYS A 313 170.288 176.820 220.559 1.00 35.45 H +ATOM 4463 HA CYS A 313 170.817 178.371 222.539 1.00 39.46 H +ATOM 4464 HB2 CYS A 313 169.270 176.040 222.389 1.00 46.35 H +ATOM 4465 HB3 CYS A 313 169.503 176.716 223.804 1.00 46.35 H +ATOM 4466 HG CYS A 313 167.936 178.173 221.377 1.00 37.54 H +ATOM 4467 N ASP A 314 172.248 175.519 222.827 1.00 42.27 N +ATOM 4468 CA ASP A 314 173.321 174.795 223.497 1.00 35.83 C +ATOM 4469 C ASP A 314 174.670 175.479 223.290 1.00 34.81 C +ATOM 4470 O ASP A 314 175.466 175.584 224.223 1.00 37.08 O +ATOM 4471 CB ASP A 314 173.392 173.348 223.000 1.00 39.18 C +ATOM 4472 CG ASP A 314 172.242 172.495 223.506 1.00 42.99 C +ATOM 4473 OD1 ASP A 314 171.707 172.786 224.595 1.00 35.74 O +ATOM 4474 OD2 ASP A 314 171.880 171.524 222.809 1.00 43.89 O +ATOM 4475 H ASP A 314 171.850 175.065 222.214 1.00 50.72 H +ATOM 4476 HA ASP A 314 173.140 174.775 224.450 1.00 42.99 H +ATOM 4477 HB2 ASP A 314 173.362 173.345 222.030 1.00 47.01 H +ATOM 4478 HB3 ASP A 314 174.220 172.948 223.308 1.00 47.01 H +ATOM 4479 N VAL A 315 174.926 175.937 222.069 1.00 33.62 N +ATOM 4480 CA VAL A 315 176.173 176.629 221.761 1.00 33.54 C +ATOM 4481 C VAL A 315 176.304 177.901 222.590 1.00 39.48 C +ATOM 4482 O VAL A 315 177.364 178.176 223.152 1.00 37.17 O +ATOM 4483 CB VAL A 315 176.273 176.987 220.258 1.00 34.07 C +ATOM 4484 CG1 VAL A 315 177.471 177.906 219.987 1.00 28.62 C +ATOM 4485 CG2 VAL A 315 176.377 175.726 219.418 1.00 28.88 C +ATOM 4486 H VAL A 315 174.392 175.860 221.399 1.00 40.35 H +ATOM 4487 HA VAL A 315 176.918 176.049 221.981 1.00 40.25 H +ATOM 4488 HB VAL A 315 175.469 177.458 219.992 1.00 40.88 H +ATOM 4489 HG11 VAL A 315 177.504 178.109 219.039 1.00 34.35 H +ATOM 4490 HG12 VAL A 315 177.364 178.723 220.498 1.00 34.35 H +ATOM 4491 HG13 VAL A 315 178.285 177.451 220.256 1.00 34.35 H +ATOM 4492 HG21 VAL A 315 176.439 175.975 218.483 1.00 34.65 H +ATOM 4493 HG22 VAL A 315 177.170 175.235 219.684 1.00 34.65 H +ATOM 4494 HG23 VAL A 315 175.586 175.184 219.566 1.00 34.65 H +ATOM 4495 N LEU A 316 175.226 178.675 222.662 1.00 39.33 N +ATOM 4496 CA LEU A 316 175.248 179.949 223.374 1.00 44.12 C +ATOM 4497 C LEU A 316 175.381 179.752 224.879 1.00 39.11 C +ATOM 4498 O LEU A 316 175.990 180.573 225.562 1.00 39.33 O +ATOM 4499 CB LEU A 316 173.987 180.761 223.067 1.00 41.75 C +ATOM 4500 CG LEU A 316 173.878 181.350 221.659 1.00 31.53 C +ATOM 4501 CD1 LEU A 316 172.520 182.010 221.472 1.00 38.13 C +ATOM 4502 CD2 LEU A 316 174.995 182.347 221.397 1.00 35.04 C +ATOM 4503 H LEU A 316 174.467 178.486 222.305 1.00 47.20 H +ATOM 4504 HA LEU A 316 176.014 180.463 223.073 1.00 52.94 H +ATOM 4505 HB2 LEU A 316 173.217 180.186 223.197 1.00 50.10 H +ATOM 4506 HB3 LEU A 316 173.944 181.501 223.692 1.00 50.10 H +ATOM 4507 HG LEU A 316 173.956 180.634 221.010 1.00 37.83 H +ATOM 4508 HD11 LEU A 316 172.468 182.378 220.576 1.00 45.76 H +ATOM 4509 HD12 LEU A 316 171.826 181.344 221.598 1.00 45.76 H +ATOM 4510 HD13 LEU A 316 172.420 182.719 222.127 1.00 45.76 H +ATOM 4511 HD21 LEU A 316 174.896 182.701 220.499 1.00 42.05 H +ATOM 4512 HD22 LEU A 316 174.934 183.067 222.045 1.00 42.05 H +ATOM 4513 HD23 LEU A 316 175.848 181.895 221.483 1.00 42.05 H +ATOM 4514 N LYS A 317 174.809 178.671 225.398 1.00 44.53 N +ATOM 4515 CA LYS A 317 174.899 178.395 226.826 1.00 42.83 C +ATOM 4516 C LYS A 317 176.343 178.119 227.221 1.00 43.65 C +ATOM 4517 O LYS A 317 176.788 178.502 228.302 1.00 48.17 O +ATOM 4518 CB LYS A 317 174.016 177.213 227.214 1.00 39.77 C +ATOM 4519 CG LYS A 317 174.061 176.911 228.699 1.00 41.52 C +ATOM 4520 CD LYS A 317 172.887 176.067 229.155 1.00 55.33 C +ATOM 4521 CE LYS A 317 172.504 176.411 230.584 1.00 56.29 C +ATOM 4522 NZ LYS A 317 171.722 177.673 230.651 1.00 51.11 N +ATOM 4523 H LYS A 317 174.366 178.087 224.949 1.00 53.43 H +ATOM 4524 HA LYS A 317 174.595 179.173 227.319 1.00 51.39 H +ATOM 4525 HB2 LYS A 317 173.097 177.413 226.976 1.00 47.72 H +ATOM 4526 HB3 LYS A 317 174.317 176.423 226.738 1.00 47.72 H +ATOM 4527 HG2 LYS A 317 174.877 176.426 228.899 1.00 49.83 H +ATOM 4528 HG3 LYS A 317 174.042 177.746 229.192 1.00 49.83 H +ATOM 4529 HD2 LYS A 317 172.124 176.240 228.583 1.00 66.39 H +ATOM 4530 HD3 LYS A 317 173.131 175.129 229.120 1.00 66.39 H +ATOM 4531 HE2 LYS A 317 171.960 175.696 230.950 1.00 67.55 H +ATOM 4532 HE3 LYS A 317 173.310 176.524 231.113 1.00 67.55 H +ATOM 4533 HZ1 LYS A 317 171.509 177.854 231.496 1.00 61.33 H +ATOM 4534 HZ2 LYS A 317 172.202 178.346 230.323 1.00 61.33 H +ATOM 4535 HZ3 LYS A 317 170.974 177.592 230.175 1.00 61.33 H +ATOM 4536 N GLN A 318 177.073 177.453 226.335 1.00 35.86 N +ATOM 4537 CA GLN A 318 178.491 177.204 226.547 1.00 46.40 C +ATOM 4538 C GLN A 318 179.261 178.522 226.538 1.00 46.20 C +ATOM 4539 O GLN A 318 180.142 178.743 227.366 1.00 54.84 O +ATOM 4540 CB GLN A 318 179.034 176.260 225.474 1.00 46.85 C +ATOM 4541 CG GLN A 318 180.444 175.768 225.735 1.00 64.91 C +ATOM 4542 CD GLN A 318 180.904 174.757 224.706 1.00 76.94 C +ATOM 4543 OE1 GLN A 318 180.392 174.715 223.587 1.00 71.64 O +ATOM 4544 NE2 GLN A 318 181.873 173.931 225.081 1.00 86.20 N +ATOM 4545 H GLN A 318 176.768 177.132 225.597 1.00 43.03 H +ATOM 4546 HA GLN A 318 178.616 176.784 227.413 1.00 55.68 H +ATOM 4547 HB2 GLN A 318 178.456 175.483 225.422 1.00 56.21 H +ATOM 4548 HB3 GLN A 318 179.036 176.724 224.623 1.00 56.21 H +ATOM 4549 HG2 GLN A 318 181.052 176.523 225.709 1.00 77.89 H +ATOM 4550 HG3 GLN A 318 180.476 175.346 226.608 1.00 77.89 H +ATOM 4551 HE21 GLN A 318 182.205 173.989 225.873 1.00103.45 H +ATOM 4552 HE22 GLN A 318 182.170 173.339 224.533 1.00103.45 H +ATOM 4553 N GLU A 319 178.912 179.395 225.599 1.00 46.66 N +ATOM 4554 CA GLU A 319 179.540 180.706 225.486 1.00 39.56 C +ATOM 4555 C GLU A 319 179.119 181.634 226.617 1.00 36.56 C +ATOM 4556 O GLU A 319 179.852 182.553 226.978 1.00 43.20 O +ATOM 4557 CB GLU A 319 179.187 181.354 224.145 1.00 45.25 C +ATOM 4558 CG GLU A 319 179.747 180.635 222.933 1.00 59.51 C +ATOM 4559 CD GLU A 319 181.258 180.690 222.872 1.00 69.05 C +ATOM 4560 OE1 GLU A 319 181.815 181.804 222.959 1.00 60.82 O +ATOM 4561 OE2 GLU A 319 181.886 179.619 222.741 1.00 65.84 O +ATOM 4562 H GLU A 319 178.305 179.250 225.008 1.00 55.99 H +ATOM 4563 HA GLU A 319 180.503 180.600 225.526 1.00 47.47 H +ATOM 4564 HB2 GLU A 319 178.222 181.374 224.054 1.00 54.29 H +ATOM 4565 HB3 GLU A 319 179.535 182.259 224.136 1.00 54.29 H +ATOM 4566 HG2 GLU A 319 179.482 179.702 222.968 1.00 71.41 H +ATOM 4567 HG3 GLU A 319 179.398 181.050 222.129 1.00 71.41 H +ATOM 4568 N HIS A 320 177.931 181.398 227.165 1.00 36.30 N +ATOM 4569 CA HIS A 320 177.355 182.290 228.165 1.00 41.12 C +ATOM 4570 C HIS A 320 176.589 181.526 229.239 1.00 44.97 C +ATOM 4571 O HIS A 320 175.359 181.517 229.239 1.00 42.37 O +ATOM 4572 CB HIS A 320 176.427 183.305 227.497 1.00 36.35 C +ATOM 4573 CG HIS A 320 177.111 184.188 226.501 1.00 36.12 C +ATOM 4574 ND1 HIS A 320 177.877 185.272 226.871 1.00 36.02 N +ATOM 4575 CD2 HIS A 320 177.144 184.148 225.148 1.00 39.74 C +ATOM 4576 CE1 HIS A 320 178.353 185.861 225.789 1.00 36.61 C +ATOM 4577 NE2 HIS A 320 177.923 185.199 224.731 1.00 33.40 N +ATOM 4578 H HIS A 320 177.435 180.722 226.972 1.00 43.56 H +ATOM 4579 HA HIS A 320 178.071 182.779 228.600 1.00 49.35 H +ATOM 4580 HB2 HIS A 320 175.722 182.826 227.033 1.00 43.62 H +ATOM 4581 HB3 HIS A 320 176.042 183.874 228.182 1.00 43.62 H +ATOM 4582 HD1 HIS A 320 178.023 185.525 227.680 1.00 43.23 H +ATOM 4583 HD2 HIS A 320 176.720 183.525 224.604 1.00 47.68 H +ATOM 4584 HE1 HIS A 320 178.898 186.615 225.776 1.00 43.94 H +ATOM 4585 HE2 HIS A 320 178.102 185.394 223.913 1.00 40.08 H +ATOM 4586 N PRO A 321 177.314 180.880 230.163 1.00 51.84 N +ATOM 4587 CA PRO A 321 176.654 180.199 231.283 1.00 41.26 C +ATOM 4588 C PRO A 321 175.909 181.165 232.202 1.00 40.98 C +ATOM 4589 O PRO A 321 175.070 180.736 232.991 1.00 36.25 O +ATOM 4590 CB PRO A 321 177.818 179.524 232.021 1.00 42.27 C +ATOM 4591 CG PRO A 321 179.045 180.240 231.568 1.00 44.87 C +ATOM 4592 CD PRO A 321 178.772 180.672 230.169 1.00 44.62 C +ATOM 4593 HA PRO A 321 176.041 179.522 230.956 1.00 49.51 H +ATOM 4594 HB2 PRO A 321 177.699 179.622 232.979 1.00 50.72 H +ATOM 4595 HB3 PRO A 321 177.860 178.586 231.776 1.00 50.72 H +ATOM 4596 HG2 PRO A 321 179.200 181.010 232.138 1.00 53.85 H +ATOM 4597 HG3 PRO A 321 179.803 179.636 231.597 1.00 53.85 H +ATOM 4598 HD2 PRO A 321 179.234 181.502 229.974 1.00 53.55 H +ATOM 4599 HD3 PRO A 321 179.017 179.972 229.544 1.00 53.55 H +ATOM 4600 N GLU A 322 176.211 182.455 232.089 1.00 48.47 N +ATOM 4601 CA GLU A 322 175.572 183.470 232.920 1.00 45.29 C +ATOM 4602 C GLU A 322 174.240 183.951 232.341 1.00 44.16 C +ATOM 4603 O GLU A 322 173.469 184.619 233.025 1.00 42.42 O +ATOM 4604 CB GLU A 322 176.510 184.670 233.118 1.00 46.94 C +ATOM 4605 CG GLU A 322 176.678 185.595 231.900 1.00 51.04 C +ATOM 4606 CD GLU A 322 177.563 185.007 230.816 1.00 49.61 C +ATOM 4607 OE1 GLU A 322 178.027 183.856 230.974 1.00 45.43 O +ATOM 4608 OE2 GLU A 322 177.796 185.701 229.803 1.00 43.74 O +ATOM 4609 H GLU A 322 176.787 182.770 231.533 1.00 58.17 H +ATOM 4610 HA GLU A 322 175.393 183.089 233.794 1.00 54.35 H +ATOM 4611 HB2 GLU A 322 176.167 185.211 233.846 1.00 56.33 H +ATOM 4612 HB3 GLU A 322 177.390 184.335 233.351 1.00 56.33 H +ATOM 4613 HG2 GLU A 322 175.806 185.765 231.513 1.00 61.24 H +ATOM 4614 HG3 GLU A 322 177.079 186.428 232.191 1.00 61.24 H +ATOM 4615 N TRP A 323 173.975 183.619 231.081 1.00 40.50 N +ATOM 4616 CA TRP A 323 172.757 184.075 230.413 1.00 40.42 C +ATOM 4617 C TRP A 323 171.513 183.361 230.922 1.00 38.54 C +ATOM 4618 O TRP A 323 171.564 182.193 231.302 1.00 42.69 O +ATOM 4619 CB TRP A 323 172.861 183.872 228.899 1.00 38.66 C +ATOM 4620 CG TRP A 323 173.574 184.969 228.173 1.00 32.69 C +ATOM 4621 CD1 TRP A 323 174.293 185.988 228.723 1.00 32.91 C +ATOM 4622 CD2 TRP A 323 173.632 185.156 226.756 1.00 32.12 C +ATOM 4623 NE1 TRP A 323 174.797 186.798 227.735 1.00 31.40 N +ATOM 4624 CE2 TRP A 323 174.404 186.308 226.518 1.00 31.64 C +ATOM 4625 CE3 TRP A 323 173.104 184.460 225.664 1.00 29.12 C +ATOM 4626 CZ2 TRP A 323 174.662 186.779 225.234 1.00 31.47 C +ATOM 4627 CZ3 TRP A 323 173.361 184.929 224.393 1.00 30.33 C +ATOM 4628 CH2 TRP A 323 174.133 186.076 224.188 1.00 32.52 C +ATOM 4629 H TRP A 323 174.484 183.131 230.589 1.00 48.60 H +ATOM 4630 HA TRP A 323 172.644 185.023 230.580 1.00 48.51 H +ATOM 4631 HB2 TRP A 323 173.342 183.047 228.729 1.00 46.39 H +ATOM 4632 HB3 TRP A 323 171.966 183.810 228.532 1.00 46.39 H +ATOM 4633 HD1 TRP A 323 174.425 186.116 229.635 1.00 39.49 H +ATOM 4634 HE1 TRP A 323 175.280 187.498 227.861 1.00 37.68 H +ATOM 4635 HE3 TRP A 323 172.590 183.696 225.793 1.00 34.95 H +ATOM 4636 HZ2 TRP A 323 175.175 187.542 225.094 1.00 37.76 H +ATOM 4637 HZ3 TRP A 323 173.016 184.473 223.660 1.00 36.40 H +ATOM 4638 HH2 TRP A 323 174.290 186.369 223.319 1.00 39.02 H +ATOM 4639 N GLY A 324 170.395 184.077 230.910 1.00 35.34 N +ATOM 4640 CA GLY A 324 169.113 183.507 231.272 1.00 30.57 C +ATOM 4641 C GLY A 324 168.389 182.974 230.052 1.00 32.23 C +ATOM 4642 O GLY A 324 168.834 183.174 228.923 1.00 34.93 O +ATOM 4643 H GLY A 324 170.356 184.907 230.691 1.00 42.40 H +ATOM 4644 HA2 GLY A 324 169.244 182.778 231.899 1.00 36.69 H +ATOM 4645 HA3 GLY A 324 168.560 184.184 231.692 1.00 36.69 H +ATOM 4646 N ASP A 325 167.270 182.298 230.288 1.00 28.37 N +ATOM 4647 CA ASP A 325 166.471 181.698 229.225 1.00 30.31 C +ATOM 4648 C ASP A 325 166.046 182.706 228.153 1.00 30.91 C +ATOM 4649 O ASP A 325 166.102 182.413 226.960 1.00 29.60 O +ATOM 4650 CB ASP A 325 165.231 181.030 229.831 1.00 22.83 C +ATOM 4651 CG ASP A 325 164.163 180.734 228.800 1.00 31.16 C +ATOM 4652 OD1 ASP A 325 164.300 179.733 228.068 1.00 35.05 O +ATOM 4653 OD2 ASP A 325 163.177 181.498 228.728 1.00 32.44 O +ATOM 4654 H ASP A 325 166.945 182.170 231.074 1.00 34.05 H +ATOM 4655 HA ASP A 325 166.997 181.009 228.791 1.00 36.37 H +ATOM 4656 HB2 ASP A 325 165.493 180.191 230.241 1.00 27.40 H +ATOM 4657 HB3 ASP A 325 164.849 181.621 230.498 1.00 27.40 H +ATOM 4658 N GLU A 326 165.622 183.891 228.576 1.00 29.23 N +ATOM 4659 CA GLU A 326 165.094 184.879 227.644 1.00 33.19 C +ATOM 4660 C GLU A 326 166.152 185.333 226.639 1.00 27.94 C +ATOM 4661 O GLU A 326 165.896 185.360 225.437 1.00 22.89 O +ATOM 4662 CB GLU A 326 164.541 186.088 228.403 1.00 31.50 C +ATOM 4663 CG GLU A 326 163.879 187.141 227.517 1.00 24.68 C +ATOM 4664 CD GLU A 326 162.629 186.637 226.827 1.00 26.50 C +ATOM 4665 OE1 GLU A 326 162.095 185.585 227.237 1.00 30.67 O +ATOM 4666 OE2 GLU A 326 162.178 187.298 225.872 1.00 28.05 O +ATOM 4667 H GLU A 326 165.629 184.147 229.397 1.00 35.07 H +ATOM 4668 HA GLU A 326 164.363 184.481 227.147 1.00 39.83 H +ATOM 4669 HB2 GLU A 326 163.876 185.778 229.038 1.00 37.80 H +ATOM 4670 HB3 GLU A 326 165.270 186.518 228.876 1.00 37.80 H +ATOM 4671 HG2 GLU A 326 163.632 187.902 228.064 1.00 29.62 H +ATOM 4672 HG3 GLU A 326 164.508 187.416 226.832 1.00 29.62 H +ATOM 4673 N GLN A 327 167.337 185.683 227.128 1.00 21.58 N +ATOM 4674 CA GLN A 327 168.404 186.145 226.253 1.00 27.23 C +ATOM 4675 C GLN A 327 168.915 185.017 225.358 1.00 31.03 C +ATOM 4676 O GLN A 327 169.282 185.253 224.208 1.00 28.63 O +ATOM 4677 CB GLN A 327 169.557 186.737 227.068 1.00 29.88 C +ATOM 4678 CG GLN A 327 170.677 187.289 226.205 1.00 26.96 C +ATOM 4679 CD GLN A 327 171.565 188.270 226.939 1.00 24.41 C +ATOM 4680 OE1 GLN A 327 171.556 188.339 228.166 1.00 35.27 O +ATOM 4681 NE2 GLN A 327 172.335 189.043 226.186 1.00 26.32 N +ATOM 4682 H GLN A 327 167.546 185.661 227.962 1.00 25.90 H +ATOM 4683 HA GLN A 327 168.057 186.846 225.679 1.00 32.68 H +ATOM 4684 HB2 GLN A 327 169.216 187.461 227.615 1.00 35.86 H +ATOM 4685 HB3 GLN A 327 169.930 186.043 227.634 1.00 35.86 H +ATOM 4686 HG2 GLN A 327 171.233 186.554 225.901 1.00 32.36 H +ATOM 4687 HG3 GLN A 327 170.291 187.749 225.443 1.00 32.36 H +ATOM 4688 HE21 GLN A 327 172.311 188.969 225.330 1.00 31.58 H +ATOM 4689 HE22 GLN A 327 172.858 189.617 226.554 1.00 31.58 H +ATOM 4690 N LEU A 328 168.939 183.798 225.886 1.00 29.72 N +ATOM 4691 CA LEU A 328 169.344 182.636 225.100 1.00 31.20 C +ATOM 4692 C LEU A 328 168.385 182.422 223.931 1.00 28.37 C +ATOM 4693 O LEU A 328 168.810 182.125 222.815 1.00 23.90 O +ATOM 4694 CB LEU A 328 169.398 181.376 225.971 1.00 33.06 C +ATOM 4695 CG LEU A 328 170.630 181.183 226.861 1.00 35.26 C +ATOM 4696 CD1 LEU A 328 170.369 180.103 227.898 1.00 36.82 C +ATOM 4697 CD2 LEU A 328 171.857 180.829 226.037 1.00 31.93 C +ATOM 4698 H LEU A 328 168.725 183.616 226.699 1.00 35.66 H +ATOM 4699 HA LEU A 328 170.230 182.791 224.739 1.00 37.44 H +ATOM 4700 HB2 LEU A 328 168.624 181.382 226.555 1.00 39.67 H +ATOM 4701 HB3 LEU A 328 169.348 180.604 225.385 1.00 39.67 H +ATOM 4702 HG LEU A 328 170.813 182.011 227.331 1.00 42.31 H +ATOM 4703 HD11 LEU A 328 171.160 179.998 228.449 1.00 44.19 H +ATOM 4704 HD12 LEU A 328 169.616 180.369 228.447 1.00 44.19 H +ATOM 4705 HD13 LEU A 328 170.170 179.270 227.442 1.00 44.19 H +ATOM 4706 HD21 LEU A 328 172.614 180.715 226.632 1.00 38.32 H +ATOM 4707 HD22 LEU A 328 171.686 180.004 225.556 1.00 38.32 H +ATOM 4708 HD23 LEU A 328 172.033 181.548 225.410 1.00 38.32 H +ATOM 4709 N PHE A 329 167.091 182.574 224.192 1.00 27.07 N +ATOM 4710 CA PHE A 329 166.085 182.396 223.153 1.00 21.67 C +ATOM 4711 C PHE A 329 166.161 183.488 222.088 1.00 33.28 C +ATOM 4712 O PHE A 329 166.136 183.198 220.891 1.00 22.94 O +ATOM 4713 CB PHE A 329 164.677 182.378 223.747 1.00 22.72 C +ATOM 4714 CG PHE A 329 163.601 182.564 222.720 1.00 25.51 C +ATOM 4715 CD1 PHE A 329 163.161 181.494 221.960 1.00 21.72 C +ATOM 4716 CD2 PHE A 329 163.051 183.814 222.489 1.00 24.16 C +ATOM 4717 CE1 PHE A 329 162.182 181.666 221.002 1.00 30.21 C +ATOM 4718 CE2 PHE A 329 162.074 183.991 221.531 1.00 22.09 C +ATOM 4719 CZ PHE A 329 161.638 182.919 220.787 1.00 26.49 C +ATOM 4720 H PHE A 329 166.769 182.779 224.963 1.00 32.49 H +ATOM 4721 HA PHE A 329 166.235 181.543 222.716 1.00 26.00 H +ATOM 4722 HB2 PHE A 329 164.530 181.524 224.183 1.00 27.26 H +ATOM 4723 HB3 PHE A 329 164.599 183.097 224.393 1.00 27.26 H +ATOM 4724 HD1 PHE A 329 163.525 180.650 222.100 1.00 26.06 H +ATOM 4725 HD2 PHE A 329 163.343 184.542 222.988 1.00 28.99 H +ATOM 4726 HE1 PHE A 329 161.889 180.939 220.501 1.00 36.25 H +ATOM 4727 HE2 PHE A 329 161.708 184.835 221.390 1.00 26.51 H +ATOM 4728 HZ PHE A 329 160.977 183.036 220.144 1.00 31.79 H +ATOM 4729 N GLN A 330 166.235 184.740 222.528 1.00 27.72 N +ATOM 4730 CA GLN A 330 166.236 185.869 221.605 1.00 27.26 C +ATOM 4731 C GLN A 330 167.479 185.845 220.718 1.00 27.58 C +ATOM 4732 O GLN A 330 167.389 186.037 219.507 1.00 22.18 O +ATOM 4733 CB GLN A 330 166.158 187.196 222.366 1.00 19.87 C +ATOM 4734 CG GLN A 330 164.874 187.400 223.168 1.00 23.51 C +ATOM 4735 CD GLN A 330 163.634 187.556 222.304 1.00 27.22 C +ATOM 4736 OE1 GLN A 330 163.719 187.775 221.098 1.00 29.07 O +ATOM 4737 NE2 GLN A 330 162.470 187.444 222.927 1.00 27.08 N +ATOM 4738 H GLN A 330 166.286 184.963 223.357 1.00 33.26 H +ATOM 4739 HA GLN A 330 165.457 185.807 221.030 1.00 32.71 H +ATOM 4740 HB2 GLN A 330 166.902 187.241 222.987 1.00 23.84 H +ATOM 4741 HB3 GLN A 330 166.223 187.923 221.727 1.00 23.84 H +ATOM 4742 HG2 GLN A 330 164.740 186.632 223.745 1.00 28.21 H +ATOM 4743 HG3 GLN A 330 164.965 188.203 223.706 1.00 28.21 H +ATOM 4744 HE21 GLN A 330 162.448 187.291 223.773 1.00 32.49 H +ATOM 4745 HE22 GLN A 330 161.736 187.523 222.485 1.00 32.49 H +ATOM 4746 N THR A 331 168.637 185.598 221.319 1.00 26.60 N +ATOM 4747 CA THR A 331 169.887 185.611 220.569 1.00 20.20 C +ATOM 4748 C THR A 331 169.913 184.464 219.563 1.00 23.31 C +ATOM 4749 O THR A 331 170.453 184.607 218.470 1.00 25.31 O +ATOM 4750 CB THR A 331 171.107 185.520 221.503 1.00 24.22 C +ATOM 4751 OG1 THR A 331 171.055 186.585 222.458 1.00 22.63 O +ATOM 4752 CG2 THR A 331 172.406 185.628 220.711 1.00 24.76 C +ATOM 4753 H THR A 331 168.727 185.422 222.156 1.00 31.92 H +ATOM 4754 HA THR A 331 169.949 186.444 220.076 1.00 24.23 H +ATOM 4755 HB THR A 331 171.098 184.668 221.966 1.00 29.06 H +ATOM 4756 HG1 THR A 331 170.352 186.528 222.914 1.00 27.16 H +ATOM 4757 HG21 THR A 331 173.165 185.569 221.312 1.00 29.72 H +ATOM 4758 HG22 THR A 331 172.460 184.909 220.063 1.00 29.72 H +ATOM 4759 HG23 THR A 331 172.439 186.477 220.244 1.00 29.72 H +ATOM 4760 N SER A 332 169.312 183.333 219.924 1.00 24.89 N +ATOM 4761 CA SER A 332 169.213 182.200 219.010 1.00 23.71 C +ATOM 4762 C SER A 332 168.340 182.542 217.811 1.00 25.48 C +ATOM 4763 O SER A 332 168.668 182.195 216.678 1.00 25.17 O +ATOM 4764 CB SER A 332 168.652 180.971 219.723 1.00 24.73 C +ATOM 4765 OG SER A 332 169.562 180.482 220.689 1.00 29.34 O +ATOM 4766 H SER A 332 168.954 183.197 220.693 1.00 29.87 H +ATOM 4767 HA SER A 332 170.099 181.979 218.683 1.00 28.45 H +ATOM 4768 HB2 SER A 332 167.823 181.214 220.165 1.00 29.67 H +ATOM 4769 HB3 SER A 332 168.485 180.275 219.068 1.00 29.67 H +ATOM 4770 HG SER A 332 169.715 181.075 221.265 1.00 35.21 H +ATOM 4771 N ARG A 333 167.226 183.221 218.066 1.00 27.51 N +ATOM 4772 CA ARG A 333 166.315 183.620 217.004 1.00 21.97 C +ATOM 4773 C ARG A 333 167.012 184.529 215.999 1.00 21.65 C +ATOM 4774 O ARG A 333 166.841 184.374 214.795 1.00 23.28 O +ATOM 4775 CB ARG A 333 165.085 184.321 217.579 1.00 30.18 C +ATOM 4776 CG ARG A 333 164.157 184.892 216.520 1.00 26.41 C +ATOM 4777 CD ARG A 333 162.849 185.359 217.111 1.00 20.21 C +ATOM 4778 NE ARG A 333 161.850 185.593 216.077 1.00 16.71 N +ATOM 4779 CZ ARG A 333 160.563 185.815 216.316 1.00 21.84 C +ATOM 4780 NH1 ARG A 333 160.105 185.836 217.562 1.00 21.47 N +ATOM 4781 NH2 ARG A 333 159.730 186.014 215.306 1.00 23.41 N +ATOM 4782 H ARG A 333 166.975 183.463 218.852 1.00 33.01 H +ATOM 4783 HA ARG A 333 166.014 182.827 216.532 1.00 26.36 H +ATOM 4784 HB2 ARG A 333 164.578 183.683 218.105 1.00 36.22 H +ATOM 4785 HB3 ARG A 333 165.377 185.054 218.144 1.00 36.22 H +ATOM 4786 HG2 ARG A 333 164.586 185.651 216.096 1.00 31.69 H +ATOM 4787 HG3 ARG A 333 163.964 184.206 215.862 1.00 31.69 H +ATOM 4788 HD2 ARG A 333 162.509 184.680 217.714 1.00 24.25 H +ATOM 4789 HD3 ARG A 333 162.993 186.191 217.589 1.00 24.25 H +ATOM 4790 HE ARG A 333 162.111 185.587 215.257 1.00 20.05 H +ATOM 4791 HH11 ARG A 333 160.643 185.706 218.220 1.00 25.77 H +ATOM 4792 HH12 ARG A 333 159.270 185.980 217.711 1.00 25.77 H +ATOM 4793 HH21 ARG A 333 160.024 186.001 214.498 1.00 28.09 H +ATOM 4794 HH22 ARG A 333 158.897 186.159 215.458 1.00 28.09 H +ATOM 4795 N LEU A 334 167.799 185.473 216.500 1.00 24.56 N +ATOM 4796 CA LEU A 334 168.541 186.381 215.635 1.00 21.08 C +ATOM 4797 C LEU A 334 169.594 185.641 214.816 1.00 26.41 C +ATOM 4798 O LEU A 334 169.843 185.985 213.661 1.00 30.45 O +ATOM 4799 CB LEU A 334 169.201 187.483 216.462 1.00 24.83 C +ATOM 4800 CG LEU A 334 168.267 188.478 217.162 1.00 25.50 C +ATOM 4801 CD1 LEU A 334 169.083 189.525 217.897 1.00 25.04 C +ATOM 4802 CD2 LEU A 334 167.311 189.143 216.180 1.00 25.75 C +ATOM 4803 H LEU A 334 167.920 185.609 217.340 1.00 29.47 H +ATOM 4804 HA LEU A 334 167.923 186.801 215.017 1.00 25.30 H +ATOM 4805 HB2 LEU A 334 169.740 187.063 217.150 1.00 29.80 H +ATOM 4806 HB3 LEU A 334 169.777 187.997 215.875 1.00 29.80 H +ATOM 4807 HG LEU A 334 167.735 188.001 217.818 1.00 30.59 H +ATOM 4808 HD11 LEU A 334 168.479 190.146 218.334 1.00 30.05 H +ATOM 4809 HD12 LEU A 334 169.640 189.084 218.557 1.00 30.05 H +ATOM 4810 HD13 LEU A 334 169.638 189.998 217.257 1.00 30.05 H +ATOM 4811 HD21 LEU A 334 166.741 189.761 216.663 1.00 30.90 H +ATOM 4812 HD22 LEU A 334 167.827 189.621 215.512 1.00 30.90 H +ATOM 4813 HD23 LEU A 334 166.771 188.459 215.754 1.00 30.90 H +ATOM 4814 N ILE A 335 170.210 184.627 215.413 1.00 24.31 N +ATOM 4815 CA ILE A 335 171.191 183.817 214.708 1.00 20.24 C +ATOM 4816 C ILE A 335 170.497 183.017 213.607 1.00 21.19 C +ATOM 4817 O ILE A 335 170.985 182.950 212.481 1.00 20.83 O +ATOM 4818 CB ILE A 335 171.949 182.881 215.683 1.00 24.01 C +ATOM 4819 CG1 ILE A 335 172.944 183.701 216.511 1.00 24.93 C +ATOM 4820 CG2 ILE A 335 172.699 181.775 214.929 1.00 25.24 C +ATOM 4821 CD1 ILE A 335 173.609 182.936 217.639 1.00 24.47 C +ATOM 4822 H ILE A 335 170.076 184.388 216.229 1.00 29.18 H +ATOM 4823 HA ILE A 335 171.840 184.403 214.289 1.00 24.28 H +ATOM 4824 HB ILE A 335 171.308 182.470 216.283 1.00 28.81 H +ATOM 4825 HG12 ILE A 335 173.644 184.024 215.922 1.00 29.92 H +ATOM 4826 HG13 ILE A 335 172.474 184.453 216.903 1.00 29.92 H +ATOM 4827 HG21 ILE A 335 173.159 181.212 215.571 1.00 30.28 H +ATOM 4828 HG22 ILE A 335 172.059 181.247 214.425 1.00 30.28 H +ATOM 4829 HG23 ILE A 335 173.340 182.182 214.325 1.00 30.28 H +ATOM 4830 HD11 ILE A 335 174.218 183.530 218.106 1.00 29.36 H +ATOM 4831 HD12 ILE A 335 172.926 182.616 218.249 1.00 29.36 H +ATOM 4832 HD13 ILE A 335 174.098 182.186 217.266 1.00 29.36 H +ATOM 4833 N LEU A 336 169.346 182.433 213.924 1.00 23.93 N +ATOM 4834 CA LEU A 336 168.608 181.635 212.951 1.00 24.04 C +ATOM 4835 C LEU A 336 168.063 182.492 211.810 1.00 24.90 C +ATOM 4836 O LEU A 336 167.910 182.007 210.692 1.00 26.11 O +ATOM 4837 CB LEU A 336 167.463 180.873 213.628 1.00 25.90 C +ATOM 4838 CG LEU A 336 167.758 179.394 213.891 1.00 22.99 C +ATOM 4839 CD1 LEU A 336 168.805 179.243 214.982 1.00 22.46 C +ATOM 4840 CD2 LEU A 336 166.492 178.631 214.241 1.00 21.37 C +ATOM 4841 H LEU A 336 168.971 182.483 214.696 1.00 28.72 H +ATOM 4842 HA LEU A 336 169.211 180.980 212.566 1.00 28.85 H +ATOM 4843 HB2 LEU A 336 167.273 181.291 214.482 1.00 31.08 H +ATOM 4844 HB3 LEU A 336 166.679 180.920 213.059 1.00 31.08 H +ATOM 4845 HG LEU A 336 168.121 179.003 213.081 1.00 27.59 H +ATOM 4846 HD11 LEU A 336 168.973 178.299 215.128 1.00 26.95 H +ATOM 4847 HD12 LEU A 336 169.621 179.685 214.699 1.00 26.95 H +ATOM 4848 HD13 LEU A 336 168.472 179.650 215.796 1.00 26.95 H +ATOM 4849 HD21 LEU A 336 166.718 177.701 214.400 1.00 25.64 H +ATOM 4850 HD22 LEU A 336 166.102 179.018 215.040 1.00 25.64 H +ATOM 4851 HD23 LEU A 336 165.868 178.699 213.501 1.00 25.64 H +ATOM 4852 N ILE A 337 167.764 183.758 212.091 1.00 22.74 N +ATOM 4853 CA ILE A 337 167.371 184.689 211.041 1.00 21.44 C +ATOM 4854 C ILE A 337 168.576 184.930 210.134 1.00 20.76 C +ATOM 4855 O ILE A 337 168.447 184.977 208.911 1.00 22.38 O +ATOM 4856 CB ILE A 337 166.845 186.026 211.618 1.00 24.65 C +ATOM 4857 CG1 ILE A 337 165.465 185.818 212.247 1.00 23.27 C +ATOM 4858 CG2 ILE A 337 166.749 187.104 210.522 1.00 21.82 C +ATOM 4859 CD1 ILE A 337 164.944 187.010 213.019 1.00 19.02 C +ATOM 4860 H ILE A 337 167.780 184.100 212.880 1.00 27.29 H +ATOM 4861 HA ILE A 337 166.665 184.290 210.508 1.00 25.72 H +ATOM 4862 HB ILE A 337 167.458 186.332 212.304 1.00 29.57 H +ATOM 4863 HG12 ILE A 337 164.828 185.623 211.542 1.00 27.92 H +ATOM 4864 HG13 ILE A 337 165.513 185.068 212.860 1.00 27.92 H +ATOM 4865 HG21 ILE A 337 166.418 187.926 210.916 1.00 26.19 H +ATOM 4866 HG22 ILE A 337 167.631 187.250 210.145 1.00 26.19 H +ATOM 4867 HG23 ILE A 337 166.140 186.799 209.831 1.00 26.19 H +ATOM 4868 HD11 ILE A 337 164.071 186.794 213.382 1.00 22.82 H +ATOM 4869 HD12 ILE A 337 165.561 187.213 213.740 1.00 22.82 H +ATOM 4870 HD13 ILE A 337 164.875 187.769 212.419 1.00 22.82 H +ATOM 4871 N GLY A 338 169.747 185.072 210.744 1.00 25.57 N +ATOM 4872 CA GLY A 338 170.981 185.216 209.995 1.00 30.70 C +ATOM 4873 C GLY A 338 171.258 184.007 209.121 1.00 28.02 C +ATOM 4874 O GLY A 338 171.600 184.153 207.949 1.00 23.59 O +ATOM 4875 H GLY A 338 169.851 185.089 211.597 1.00 30.69 H +ATOM 4876 HA2 GLY A 338 170.928 186.001 209.428 1.00 36.84 H +ATOM 4877 HA3 GLY A 338 171.723 185.328 210.610 1.00 36.84 H +ATOM 4878 N GLU A 339 171.110 182.813 209.690 1.00 26.48 N +ATOM 4879 CA GLU A 339 171.299 181.573 208.941 1.00 24.36 C +ATOM 4880 C GLU A 339 170.359 181.485 207.747 1.00 27.37 C +ATOM 4881 O GLU A 339 170.756 181.051 206.668 1.00 25.90 O +ATOM 4882 CB GLU A 339 171.076 180.352 209.833 1.00 23.19 C +ATOM 4883 CG GLU A 339 172.098 180.170 210.937 1.00 29.90 C +ATOM 4884 CD GLU A 339 171.892 178.880 211.699 1.00 31.17 C +ATOM 4885 OE1 GLU A 339 171.518 177.871 211.070 1.00 32.17 O +ATOM 4886 OE2 GLU A 339 172.094 178.876 212.929 1.00 38.36 O +ATOM 4887 H GLU A 339 170.900 182.693 210.515 1.00 31.78 H +ATOM 4888 HA GLU A 339 172.209 181.540 208.609 1.00 29.23 H +ATOM 4889 HB2 GLU A 339 170.205 180.430 210.251 1.00 27.82 H +ATOM 4890 HB3 GLU A 339 171.100 179.557 209.278 1.00 27.82 H +ATOM 4891 HG2 GLU A 339 172.987 180.152 210.548 1.00 35.88 H +ATOM 4892 HG3 GLU A 339 172.023 180.906 211.564 1.00 35.88 H +ATOM 4893 N THR A 340 169.109 181.887 207.954 1.00 26.28 N +ATOM 4894 CA THR A 340 168.089 181.787 206.918 1.00 21.61 C +ATOM 4895 C THR A 340 168.451 182.659 205.726 1.00 19.81 C +ATOM 4896 O THR A 340 168.422 182.201 204.591 1.00 25.25 O +ATOM 4897 CB THR A 340 166.692 182.192 207.452 1.00 26.47 C +ATOM 4898 OG1 THR A 340 166.329 181.343 208.546 1.00 24.02 O +ATOM 4899 CG2 THR A 340 165.634 182.072 206.363 1.00 21.55 C +ATOM 4900 H THR A 340 168.826 182.225 208.693 1.00 31.54 H +ATOM 4901 HA THR A 340 168.038 180.867 206.613 1.00 25.94 H +ATOM 4902 HB THR A 340 166.718 183.114 207.754 1.00 31.76 H +ATOM 4903 HG1 THR A 340 166.892 181.416 209.166 1.00 28.83 H +ATOM 4904 HG21 THR A 340 164.767 182.329 206.714 1.00 25.86 H +ATOM 4905 HG22 THR A 340 165.857 182.652 205.618 1.00 25.86 H +ATOM 4906 HG23 THR A 340 165.587 181.156 206.047 1.00 25.86 H +ATOM 4907 N ILE A 341 168.798 183.915 205.988 1.00 30.41 N +ATOM 4908 CA ILE A 341 169.150 184.848 204.923 1.00 37.66 C +ATOM 4909 C ILE A 341 170.416 184.385 204.199 1.00 36.20 C +ATOM 4910 O ILE A 341 170.498 184.454 202.973 1.00 32.60 O +ATOM 4911 CB ILE A 341 169.350 186.276 205.471 1.00 27.46 C +ATOM 4912 CG1 ILE A 341 168.054 186.774 206.120 1.00 28.06 C +ATOM 4913 CG2 ILE A 341 169.772 187.229 204.358 1.00 32.17 C +ATOM 4914 CD1 ILE A 341 168.206 188.053 206.916 1.00 31.86 C +ATOM 4915 H ILE A 341 168.837 184.253 206.777 1.00 36.49 H +ATOM 4916 HA ILE A 341 168.428 184.875 204.276 1.00 45.19 H +ATOM 4917 HB ILE A 341 170.048 186.256 206.145 1.00 32.95 H +ATOM 4918 HG12 ILE A 341 167.400 186.938 205.422 1.00 33.67 H +ATOM 4919 HG13 ILE A 341 167.725 186.089 206.722 1.00 33.67 H +ATOM 4920 HG21 ILE A 341 169.890 188.117 204.730 1.00 38.60 H +ATOM 4921 HG22 ILE A 341 170.606 186.917 203.974 1.00 38.60 H +ATOM 4922 HG23 ILE A 341 169.080 187.245 203.678 1.00 38.60 H +ATOM 4923 HD11 ILE A 341 167.344 188.296 207.290 1.00 38.23 H +ATOM 4924 HD12 ILE A 341 168.847 187.906 207.629 1.00 38.23 H +ATOM 4925 HD13 ILE A 341 168.522 188.756 206.327 1.00 38.23 H +ATOM 4926 N LYS A 342 171.394 183.915 204.965 1.00 31.74 N +ATOM 4927 CA LYS A 342 172.621 183.354 204.409 1.00 35.77 C +ATOM 4928 C LYS A 342 172.323 182.217 203.435 1.00 37.59 C +ATOM 4929 O LYS A 342 172.805 182.209 202.303 1.00 28.73 O +ATOM 4930 CB LYS A 342 173.522 182.848 205.537 1.00 35.70 C +ATOM 4931 CG LYS A 342 174.771 182.091 205.087 1.00 38.11 C +ATOM 4932 CD LYS A 342 175.813 183.023 204.508 1.00 32.13 C +ATOM 4933 CE LYS A 342 177.127 182.296 204.294 1.00 37.60 C +ATOM 4934 NZ LYS A 342 178.222 183.215 203.872 1.00 36.42 N +ATOM 4935 H LYS A 342 171.371 183.911 205.825 1.00 38.09 H +ATOM 4936 HA LYS A 342 173.098 184.047 203.927 1.00 42.93 H +ATOM 4937 HB2 LYS A 342 173.816 183.610 206.061 1.00 42.84 H +ATOM 4938 HB3 LYS A 342 173.005 182.249 206.098 1.00 42.84 H +ATOM 4939 HG2 LYS A 342 175.161 181.637 205.850 1.00 45.73 H +ATOM 4940 HG3 LYS A 342 174.525 181.449 204.403 1.00 45.73 H +ATOM 4941 HD2 LYS A 342 175.506 183.358 203.651 1.00 38.56 H +ATOM 4942 HD3 LYS A 342 175.967 183.758 205.123 1.00 38.56 H +ATOM 4943 HE2 LYS A 342 177.394 181.872 205.125 1.00 45.11 H +ATOM 4944 HE3 LYS A 342 177.011 181.628 203.601 1.00 45.11 H +ATOM 4945 HZ1 LYS A 342 178.976 182.757 203.756 1.00 43.70 H +ATOM 4946 HZ2 LYS A 342 178.005 183.615 203.107 1.00 43.70 H +ATOM 4947 HZ3 LYS A 342 178.354 183.837 204.495 1.00 43.70 H +ATOM 4948 N ILE A 343 171.527 181.257 203.893 1.00 31.71 N +ATOM 4949 CA ILE A 343 171.210 180.076 203.102 1.00 35.49 C +ATOM 4950 C ILE A 343 170.378 180.429 201.875 1.00 29.10 C +ATOM 4951 O ILE A 343 170.618 179.905 200.789 1.00 36.94 O +ATOM 4952 CB ILE A 343 170.474 179.023 203.964 1.00 28.52 C +ATOM 4953 CG1 ILE A 343 171.488 178.321 204.871 1.00 29.82 C +ATOM 4954 CG2 ILE A 343 169.757 177.987 203.094 1.00 32.40 C +ATOM 4955 CD1 ILE A 343 170.880 177.458 205.952 1.00 29.15 C +ATOM 4956 H ILE A 343 171.154 181.267 204.668 1.00 38.05 H +ATOM 4957 HA ILE A 343 172.038 179.677 202.792 1.00 42.59 H +ATOM 4958 HB ILE A 343 169.819 179.475 204.518 1.00 34.22 H +ATOM 4959 HG12 ILE A 343 172.051 177.751 204.324 1.00 35.79 H +ATOM 4960 HG13 ILE A 343 172.033 178.996 205.306 1.00 35.79 H +ATOM 4961 HG21 ILE A 343 169.309 177.347 203.669 1.00 38.88 H +ATOM 4962 HG22 ILE A 343 169.107 178.441 202.535 1.00 38.88 H +ATOM 4963 HG23 ILE A 343 170.411 177.534 202.539 1.00 38.88 H +ATOM 4964 HD11 ILE A 343 171.593 177.057 206.473 1.00 34.98 H +ATOM 4965 HD12 ILE A 343 170.325 178.012 206.523 1.00 34.98 H +ATOM 4966 HD13 ILE A 343 170.343 176.766 205.538 1.00 34.98 H +ATOM 4967 N VAL A 344 169.405 181.316 202.040 1.00 30.55 N +ATOM 4968 CA VAL A 344 168.547 181.701 200.923 1.00 40.96 C +ATOM 4969 C VAL A 344 169.372 182.333 199.800 1.00 30.45 C +ATOM 4970 O VAL A 344 169.199 182.003 198.635 1.00 37.31 O +ATOM 4971 CB VAL A 344 167.431 182.671 201.374 1.00 24.72 C +ATOM 4972 CG1 VAL A 344 166.759 183.350 200.173 1.00 21.66 C +ATOM 4973 CG2 VAL A 344 166.398 181.921 202.195 1.00 30.13 C +ATOM 4974 H VAL A 344 169.219 181.708 202.783 1.00 36.65 H +ATOM 4975 HA VAL A 344 168.122 180.905 200.567 1.00 49.15 H +ATOM 4976 HB VAL A 344 167.817 183.363 201.934 1.00 29.66 H +ATOM 4977 HG11 VAL A 344 166.067 183.948 200.496 1.00 25.99 H +ATOM 4978 HG12 VAL A 344 167.427 183.851 199.680 1.00 25.99 H +ATOM 4979 HG13 VAL A 344 166.368 182.668 199.604 1.00 25.99 H +ATOM 4980 HG21 VAL A 344 165.704 182.540 202.471 1.00 36.15 H +ATOM 4981 HG22 VAL A 344 166.015 181.215 201.651 1.00 36.15 H +ATOM 4982 HG23 VAL A 344 166.831 181.540 202.974 1.00 36.15 H +ATOM 4983 N ILE A 345 170.279 183.233 200.151 1.00 33.48 N +ATOM 4984 CA ILE A 345 171.070 183.931 199.146 1.00 37.85 C +ATOM 4985 C ILE A 345 172.107 183.022 198.482 1.00 33.72 C +ATOM 4986 O ILE A 345 172.214 182.994 197.256 1.00 28.20 O +ATOM 4987 CB ILE A 345 171.778 185.153 199.761 1.00 34.13 C +ATOM 4988 CG1 ILE A 345 170.757 186.269 199.997 1.00 32.81 C +ATOM 4989 CG2 ILE A 345 172.914 185.652 198.855 1.00 35.03 C +ATOM 4990 CD1 ILE A 345 171.291 187.465 200.762 1.00 30.05 C +ATOM 4991 H ILE A 345 170.456 183.459 200.962 1.00 40.17 H +ATOM 4992 HA ILE A 345 170.474 184.254 198.452 1.00 45.41 H +ATOM 4993 HB ILE A 345 172.156 184.893 200.616 1.00 40.95 H +ATOM 4994 HG12 ILE A 345 170.442 186.588 199.137 1.00 39.37 H +ATOM 4995 HG13 ILE A 345 170.013 185.906 200.502 1.00 39.37 H +ATOM 4996 HG21 ILE A 345 173.336 186.419 199.272 1.00 42.04 H +ATOM 4997 HG22 ILE A 345 173.562 184.939 198.740 1.00 42.04 H +ATOM 4998 HG23 ILE A 345 172.543 185.905 197.995 1.00 42.04 H +ATOM 4999 HD11 ILE A 345 170.580 188.117 200.865 1.00 36.06 H +ATOM 5000 HD12 ILE A 345 171.598 187.170 201.634 1.00 36.06 H +ATOM 5001 HD13 ILE A 345 172.028 187.853 200.266 1.00 36.06 H +ATOM 5002 N GLU A 346 172.859 182.279 199.287 1.00 30.09 N +ATOM 5003 CA GLU A 346 174.057 181.605 198.792 1.00 33.22 C +ATOM 5004 C GLU A 346 173.828 180.153 198.369 1.00 38.14 C +ATOM 5005 O GLU A 346 174.705 179.542 197.757 1.00 42.91 O +ATOM 5006 CB GLU A 346 175.159 181.667 199.852 1.00 23.29 C +ATOM 5007 CG GLU A 346 175.619 183.091 200.147 1.00 26.58 C +ATOM 5008 CD GLU A 346 176.926 183.159 200.920 1.00 35.47 C +ATOM 5009 OE1 GLU A 346 177.575 182.108 201.109 1.00 35.34 O +ATOM 5010 OE2 GLU A 346 177.310 184.272 201.340 1.00 29.67 O +ATOM 5011 H GLU A 346 172.699 182.149 200.121 1.00 36.11 H +ATOM 5012 HA GLU A 346 174.377 182.085 198.012 1.00 39.87 H +ATOM 5013 HB2 GLU A 346 174.825 181.284 200.677 1.00 27.95 H +ATOM 5014 HB3 GLU A 346 175.927 181.164 199.539 1.00 27.95 H +ATOM 5015 HG2 GLU A 346 175.746 183.560 199.307 1.00 31.89 H +ATOM 5016 HG3 GLU A 346 174.938 183.538 200.674 1.00 31.89 H +ATOM 5017 N ASP A 347 172.657 179.604 198.681 1.00 38.39 N +ATOM 5018 CA ASP A 347 172.292 178.257 198.233 1.00 41.14 C +ATOM 5019 C ASP A 347 171.025 178.268 197.387 1.00 38.59 C +ATOM 5020 O ASP A 347 171.015 177.761 196.267 1.00 45.16 O +ATOM 5021 CB ASP A 347 172.099 177.320 199.427 1.00 34.91 C +ATOM 5022 CG ASP A 347 173.392 177.032 200.158 1.00 38.64 C +ATOM 5023 OD1 ASP A 347 174.403 176.722 199.493 1.00 43.37 O +ATOM 5024 OD2 ASP A 347 173.396 177.121 201.401 1.00 40.02 O +ATOM 5025 H ASP A 347 172.051 179.991 199.154 1.00 46.06 H +ATOM 5026 HA ASP A 347 173.011 177.901 197.689 1.00 49.37 H +ATOM 5027 HB2 ASP A 347 171.484 177.731 200.056 1.00 41.89 H +ATOM 5028 HB3 ASP A 347 171.737 176.477 199.113 1.00 41.89 H +ATOM 5029 N TYR A 348 169.960 178.853 197.928 1.00 41.67 N +ATOM 5030 CA TYR A 348 168.647 178.828 197.288 1.00 39.92 C +ATOM 5031 C TYR A 348 168.606 179.701 196.035 1.00 35.67 C +ATOM 5032 O TYR A 348 168.340 179.205 194.945 1.00 29.94 O +ATOM 5033 CB TYR A 348 167.578 179.269 198.292 1.00 41.25 C +ATOM 5034 CG TYR A 348 166.175 179.391 197.750 1.00 35.51 C +ATOM 5035 CD1 TYR A 348 165.367 178.276 197.607 1.00 32.48 C +ATOM 5036 CD2 TYR A 348 165.645 180.630 197.416 1.00 32.96 C +ATOM 5037 CE1 TYR A 348 164.078 178.387 197.130 1.00 28.08 C +ATOM 5038 CE2 TYR A 348 164.356 180.749 196.937 1.00 28.31 C +ATOM 5039 CZ TYR A 348 163.578 179.621 196.798 1.00 28.99 C +ATOM 5040 OH TYR A 348 162.295 179.725 196.324 1.00 30.60 O +ATOM 5041 H TYR A 348 169.972 179.278 198.675 1.00 50.00 H +ATOM 5042 HA TYR A 348 168.446 177.917 197.022 1.00 47.91 H +ATOM 5043 HB2 TYR A 348 167.554 178.624 199.016 1.00 49.50 H +ATOM 5044 HB3 TYR A 348 167.829 180.138 198.643 1.00 49.50 H +ATOM 5045 HD1 TYR A 348 165.701 177.438 197.832 1.00 38.98 H +ATOM 5046 HD2 TYR A 348 166.170 181.392 197.511 1.00 39.55 H +ATOM 5047 HE1 TYR A 348 163.549 177.628 197.034 1.00 33.69 H +ATOM 5048 HE2 TYR A 348 164.016 181.585 196.711 1.00 33.97 H +ATOM 5049 HH TYR A 348 162.113 180.529 196.159 1.00 36.72 H +ATOM 5050 N VAL A 349 168.866 180.997 196.188 1.00 37.99 N +ATOM 5051 CA VAL A 349 168.910 181.897 195.039 1.00 41.24 C +ATOM 5052 C VAL A 349 170.053 181.499 194.106 1.00 41.19 C +ATOM 5053 O VAL A 349 169.924 181.575 192.884 1.00 34.96 O +ATOM 5054 CB VAL A 349 169.082 183.369 195.468 1.00 42.44 C +ATOM 5055 CG1 VAL A 349 169.210 184.283 194.243 1.00 43.80 C +ATOM 5056 CG2 VAL A 349 167.912 183.813 196.331 1.00 32.95 C +ATOM 5057 H VAL A 349 169.020 181.378 196.943 1.00 45.59 H +ATOM 5058 HA VAL A 349 168.078 181.823 194.546 1.00 49.49 H +ATOM 5059 HB VAL A 349 169.894 183.454 195.993 1.00 50.93 H +ATOM 5060 HG11 VAL A 349 169.317 185.199 194.542 1.00 52.56 H +ATOM 5061 HG12 VAL A 349 169.984 184.011 193.725 1.00 52.56 H +ATOM 5062 HG13 VAL A 349 168.407 184.202 193.704 1.00 52.56 H +ATOM 5063 HG21 VAL A 349 168.043 184.739 196.588 1.00 39.54 H +ATOM 5064 HG22 VAL A 349 167.092 183.722 195.821 1.00 39.54 H +ATOM 5065 HG23 VAL A 349 167.874 183.252 197.122 1.00 39.54 H +ATOM 5066 N GLN A 350 171.168 181.080 194.695 1.00 35.80 N +ATOM 5067 CA GLN A 350 172.332 180.638 193.937 1.00 40.57 C +ATOM 5068 C GLN A 350 171.951 179.555 192.933 1.00 40.30 C +ATOM 5069 O GLN A 350 172.278 179.649 191.751 1.00 42.16 O +ATOM 5070 CB GLN A 350 173.418 180.120 194.885 1.00 36.93 C +ATOM 5071 CG GLN A 350 174.719 179.724 194.201 1.00 40.69 C +ATOM 5072 CD GLN A 350 175.428 180.901 193.558 1.00 40.99 C +ATOM 5073 OE1 GLN A 350 175.867 181.826 194.239 1.00 40.71 O +ATOM 5074 NE2 GLN A 350 175.542 180.870 192.238 1.00 41.83 N +ATOM 5075 H GLN A 350 171.276 181.042 195.547 1.00 42.97 H +ATOM 5076 HA GLN A 350 172.696 181.391 193.445 1.00 48.69 H +ATOM 5077 HB2 GLN A 350 173.624 180.816 195.529 1.00 44.32 H +ATOM 5078 HB3 GLN A 350 173.078 179.338 195.347 1.00 44.32 H +ATOM 5079 HG2 GLN A 350 175.317 179.337 194.860 1.00 48.83 H +ATOM 5080 HG3 GLN A 350 174.526 179.074 193.507 1.00 48.83 H +ATOM 5081 HE21 GLN A 350 175.223 180.207 191.794 1.00 50.19 H +ATOM 5082 HE22 GLN A 350 175.936 181.514 191.825 1.00 50.19 H +ATOM 5083 N HIS A 351 171.258 178.528 193.412 1.00 32.59 N +ATOM 5084 CA HIS A 351 170.786 177.455 192.547 1.00 34.15 C +ATOM 5085 C HIS A 351 169.754 177.972 191.560 1.00 35.00 C +ATOM 5086 O HIS A 351 169.800 177.683 190.366 1.00 40.36 O +ATOM 5087 CB HIS A 351 170.165 176.327 193.369 1.00 39.87 C +ATOM 5088 CG HIS A 351 169.383 175.355 192.544 1.00 39.54 C +ATOM 5089 ND1 HIS A 351 169.980 174.374 191.785 1.00 41.60 N +ATOM 5090 CD2 HIS A 351 168.051 175.232 192.337 1.00 34.69 C +ATOM 5091 CE1 HIS A 351 169.050 173.679 191.156 1.00 42.02 C +ATOM 5092 NE2 HIS A 351 167.870 174.179 191.474 1.00 39.99 N +ATOM 5093 H HIS A 351 171.046 178.430 194.240 1.00 39.11 H +ATOM 5094 HA HIS A 351 171.534 177.093 192.047 1.00 40.99 H +ATOM 5095 HB2 HIS A 351 170.874 175.837 193.815 1.00 47.84 H +ATOM 5096 HB3 HIS A 351 169.565 176.711 194.027 1.00 47.84 H +ATOM 5097 HD2 HIS A 351 167.383 175.758 192.714 1.00 41.62 H +ATOM 5098 HE1 HIS A 351 169.200 172.960 190.586 1.00 50.42 H +ATOM 5099 HE2 HIS A 351 167.112 173.892 191.187 1.00 47.99 H +ATOM 5100 N LEU A 352 168.815 178.730 192.103 1.00 38.14 N +ATOM 5101 CA LEU A 352 167.689 179.277 191.367 1.00 35.58 C +ATOM 5102 C LEU A 352 168.134 180.101 190.160 1.00 36.82 C +ATOM 5103 O LEU A 352 167.600 179.951 189.060 1.00 29.76 O +ATOM 5104 CB LEU A 352 166.857 180.118 192.336 1.00 39.82 C +ATOM 5105 CG LEU A 352 165.548 180.777 191.934 1.00 46.03 C +ATOM 5106 CD1 LEU A 352 164.666 180.862 193.165 1.00 43.97 C +ATOM 5107 CD2 LEU A 352 165.803 182.158 191.380 1.00 48.99 C +ATOM 5108 H LEU A 352 168.810 178.951 192.934 1.00 45.77 H +ATOM 5109 HA LEU A 352 167.134 178.548 191.047 1.00 42.69 H +ATOM 5110 HB2 LEU A 352 166.646 179.548 193.092 1.00 47.78 H +ATOM 5111 HB3 LEU A 352 167.430 180.836 192.648 1.00 47.78 H +ATOM 5112 HG LEU A 352 165.100 180.242 191.259 1.00 55.24 H +ATOM 5113 HD11 LEU A 352 163.826 181.281 192.922 1.00 52.77 H +ATOM 5114 HD12 LEU A 352 164.505 179.966 193.500 1.00 52.77 H +ATOM 5115 HD13 LEU A 352 165.118 181.392 193.840 1.00 52.77 H +ATOM 5116 HD21 LEU A 352 164.956 182.559 191.130 1.00 58.79 H +ATOM 5117 HD22 LEU A 352 166.236 182.696 192.061 1.00 58.79 H +ATOM 5118 HD23 LEU A 352 166.377 182.084 190.602 1.00 58.79 H +ATOM 5119 N SER A 353 169.127 180.958 190.372 1.00 41.10 N +ATOM 5120 CA SER A 353 169.612 181.853 189.328 1.00 32.45 C +ATOM 5121 C SER A 353 170.326 181.107 188.208 1.00 35.57 C +ATOM 5122 O SER A 353 170.278 181.519 187.050 1.00 39.20 O +ATOM 5123 CB SER A 353 170.560 182.892 189.926 1.00 32.78 C +ATOM 5124 OG SER A 353 171.751 182.281 190.393 1.00 31.24 O +ATOM 5125 H SER A 353 169.540 181.042 191.121 1.00 49.31 H +ATOM 5126 HA SER A 353 168.858 182.323 188.941 1.00 38.94 H +ATOM 5127 HB2 SER A 353 170.786 183.543 189.244 1.00 39.34 H +ATOM 5128 HB3 SER A 353 170.118 183.330 190.670 1.00 39.34 H +ATOM 5129 HG SER A 353 171.570 181.714 190.985 1.00 37.49 H +ATOM 5130 N GLY A 354 170.997 180.016 188.562 1.00 36.47 N +ATOM 5131 CA GLY A 354 171.839 179.301 187.622 1.00 35.03 C +ATOM 5132 C GLY A 354 173.129 180.052 187.341 1.00 39.41 C +ATOM 5133 O GLY A 354 173.904 179.665 186.468 1.00 45.19 O +ATOM 5134 H GLY A 354 170.979 179.669 189.348 1.00 43.77 H +ATOM 5135 HA2 GLY A 354 172.061 178.428 187.982 1.00 42.03 H +ATOM 5136 HA3 GLY A 354 171.363 179.179 186.785 1.00 42.03 H +ATOM 5137 N TYR A 355 173.357 181.132 188.081 1.00 32.56 N +ATOM 5138 CA TYR A 355 174.535 181.968 187.882 1.00 37.05 C +ATOM 5139 C TYR A 355 175.812 181.223 188.257 1.00 40.60 C +ATOM 5140 O TYR A 355 175.831 180.438 189.204 1.00 40.51 O +ATOM 5141 CB TYR A 355 174.435 183.255 188.712 1.00 38.65 C +ATOM 5142 CG TYR A 355 173.343 184.222 188.294 1.00 37.84 C +ATOM 5143 CD1 TYR A 355 172.676 184.082 187.085 1.00 45.46 C +ATOM 5144 CD2 TYR A 355 172.989 185.287 189.113 1.00 33.34 C +ATOM 5145 CE1 TYR A 355 171.686 184.970 186.708 1.00 47.66 C +ATOM 5146 CE2 TYR A 355 172.001 186.177 188.744 1.00 30.40 C +ATOM 5147 CZ TYR A 355 171.353 186.015 187.542 1.00 38.32 C +ATOM 5148 OH TYR A 355 170.368 186.901 187.171 1.00 43.35 O +ATOM 5149 H TYR A 355 172.840 181.404 188.712 1.00 39.07 H +ATOM 5150 HA TYR A 355 174.594 182.215 186.946 1.00 44.46 H +ATOM 5151 HB2 TYR A 355 174.269 183.011 189.636 1.00 46.38 H +ATOM 5152 HB3 TYR A 355 175.280 183.726 188.648 1.00 46.38 H +ATOM 5153 HD1 TYR A 355 172.898 183.377 186.519 1.00 54.56 H +ATOM 5154 HD2 TYR A 355 173.424 185.401 189.927 1.00 40.01 H +ATOM 5155 HE1 TYR A 355 171.246 184.862 185.895 1.00 57.19 H +ATOM 5156 HE2 TYR A 355 171.775 186.884 189.305 1.00 36.48 H +ATOM 5157 HH TYR A 355 170.058 186.688 186.420 1.00 52.02 H +ATOM 5158 N HIS A 356 176.875 181.473 187.501 1.00 41.67 N +ATOM 5159 CA HIS A 356 178.194 180.951 187.834 1.00 42.47 C +ATOM 5160 C HIS A 356 178.851 181.853 188.871 1.00 35.44 C +ATOM 5161 O HIS A 356 179.671 181.404 189.669 1.00 35.17 O +ATOM 5162 CB HIS A 356 179.072 180.849 186.588 1.00 46.61 C +ATOM 5163 CG HIS A 356 178.654 179.769 185.640 1.00 45.85 C +ATOM 5164 ND1 HIS A 356 178.143 178.561 186.064 1.00 46.64 N +ATOM 5165 CD2 HIS A 356 178.669 179.717 184.288 1.00 47.55 C +ATOM 5166 CE1 HIS A 356 177.864 177.811 185.014 1.00 53.11 C +ATOM 5167 NE2 HIS A 356 178.173 178.489 183.924 1.00 63.70 N +ATOM 5168 H HIS A 356 176.858 181.948 186.784 1.00 50.00 H +ATOM 5169 HA HIS A 356 178.101 180.064 188.215 1.00 50.96 H +ATOM 5170 HB2 HIS A 356 179.036 181.692 186.110 1.00 55.94 H +ATOM 5171 HB3 HIS A 356 179.984 180.666 186.862 1.00 55.94 H +ATOM 5172 HD2 HIS A 356 178.962 180.387 183.713 1.00 57.06 H +ATOM 5173 HE1 HIS A 356 177.508 176.952 185.037 1.00 63.73 H +ATOM 5174 HE2 HIS A 356 178.080 178.207 183.116 1.00 76.44 H +ATOM 5175 N PHE A 357 178.486 183.131 188.845 1.00 39.90 N +ATOM 5176 CA PHE A 357 178.927 184.074 189.862 1.00 41.27 C +ATOM 5177 C PHE A 357 178.383 183.649 191.220 1.00 42.17 C +ATOM 5178 O PHE A 357 177.211 183.300 191.347 1.00 35.86 O +ATOM 5179 CB PHE A 357 178.471 185.493 189.522 1.00 33.58 C +ATOM 5180 CG PHE A 357 178.711 186.485 190.623 1.00 47.29 C +ATOM 5181 CD1 PHE A 357 179.989 186.938 190.899 1.00 43.84 C +ATOM 5182 CD2 PHE A 357 177.656 186.969 191.379 1.00 51.86 C +ATOM 5183 CE1 PHE A 357 180.211 187.850 191.910 1.00 54.47 C +ATOM 5184 CE2 PHE A 357 177.872 187.883 192.393 1.00 47.33 C +ATOM 5185 CZ PHE A 357 179.150 188.324 192.659 1.00 51.91 C +ATOM 5186 H PHE A 357 177.979 183.477 188.242 1.00 47.88 H +ATOM 5187 HA PHE A 357 179.896 184.068 189.906 1.00 49.53 H +ATOM 5188 HB2 PHE A 357 178.955 185.797 188.738 1.00 40.30 H +ATOM 5189 HB3 PHE A 357 177.519 185.480 189.336 1.00 40.30 H +ATOM 5190 HD1 PHE A 357 180.707 186.622 190.399 1.00 52.60 H +ATOM 5191 HD2 PHE A 357 176.791 186.674 191.204 1.00 62.24 H +ATOM 5192 HE1 PHE A 357 181.075 188.147 192.088 1.00 65.36 H +ATOM 5193 HE2 PHE A 357 177.157 188.200 192.895 1.00 56.79 H +ATOM 5194 HZ PHE A 357 179.298 188.939 193.340 1.00 62.29 H +ATOM 5195 N LYS A 358 179.248 183.678 192.227 1.00 41.96 N +ATOM 5196 CA LYS A 358 178.910 183.182 193.555 1.00 42.45 C +ATOM 5197 C LYS A 358 178.309 184.292 194.416 1.00 46.46 C +ATOM 5198 O LYS A 358 179.030 185.139 194.946 1.00 41.24 O +ATOM 5199 CB LYS A 358 180.158 182.596 194.220 1.00 36.80 C +ATOM 5200 CG LYS A 358 179.889 181.762 195.456 1.00 49.96 C +ATOM 5201 CD LYS A 358 181.183 181.172 195.996 1.00 60.71 C +ATOM 5202 CE LYS A 358 181.015 180.639 197.409 1.00 69.82 C +ATOM 5203 NZ LYS A 358 182.300 180.134 197.969 1.00 74.30 N +ATOM 5204 H LYS A 358 180.048 183.986 192.166 1.00 50.35 H +ATOM 5205 HA LYS A 358 178.252 182.474 193.472 1.00 50.94 H +ATOM 5206 HB2 LYS A 358 180.614 182.030 193.578 1.00 44.16 H +ATOM 5207 HB3 LYS A 358 180.741 183.327 194.481 1.00 44.16 H +ATOM 5208 HG2 LYS A 358 179.496 182.321 196.144 1.00 59.95 H +ATOM 5209 HG3 LYS A 358 179.291 181.033 195.229 1.00 59.95 H +ATOM 5210 HD2 LYS A 358 181.461 180.438 195.427 1.00 72.85 H +ATOM 5211 HD3 LYS A 358 181.866 181.861 196.012 1.00 72.85 H +ATOM 5212 HE2 LYS A 358 180.695 181.352 197.983 1.00 83.79 H +ATOM 5213 HE3 LYS A 358 180.380 179.906 197.400 1.00 83.79 H +ATOM 5214 HZ1 LYS A 358 182.173 179.828 198.795 1.00 89.15 H +ATOM 5215 HZ2 LYS A 358 182.614 179.473 197.462 1.00 89.15 H +ATOM 5216 HZ3 LYS A 358 182.900 180.790 197.993 1.00 89.15 H +ATOM 5217 N LEU A 359 176.984 184.284 194.540 1.00 39.24 N +ATOM 5218 CA LEU A 359 176.275 185.289 195.327 1.00 34.55 C +ATOM 5219 C LEU A 359 176.756 185.270 196.773 1.00 30.11 C +ATOM 5220 O LEU A 359 177.197 184.238 197.275 1.00 30.53 O +ATOM 5221 CB LEU A 359 174.765 185.056 195.269 1.00 30.94 C +ATOM 5222 CG LEU A 359 174.125 185.121 193.880 1.00 32.40 C +ATOM 5223 CD1 LEU A 359 172.676 184.675 193.947 1.00 35.93 C +ATOM 5224 CD2 LEU A 359 174.224 186.521 193.292 1.00 28.41 C +ATOM 5225 H LEU A 359 176.468 183.701 194.175 1.00 47.09 H +ATOM 5226 HA LEU A 359 176.460 186.167 194.959 1.00 41.47 H +ATOM 5227 HB2 LEU A 359 174.579 184.176 195.631 1.00 37.13 H +ATOM 5228 HB3 LEU A 359 174.332 185.729 195.817 1.00 37.13 H +ATOM 5229 HG LEU A 359 174.597 184.515 193.288 1.00 38.88 H +ATOM 5230 HD11 LEU A 359 172.290 184.723 193.059 1.00 43.12 H +ATOM 5231 HD12 LEU A 359 172.642 183.762 194.274 1.00 43.12 H +ATOM 5232 HD13 LEU A 359 172.193 185.261 194.551 1.00 43.12 H +ATOM 5233 HD21 LEU A 359 173.809 186.525 192.415 1.00 34.09 H +ATOM 5234 HD22 LEU A 359 173.764 187.142 193.878 1.00 34.09 H +ATOM 5235 HD23 LEU A 359 175.159 186.767 193.218 1.00 34.09 H +ATOM 5236 N LYS A 360 176.664 186.421 197.432 1.00 29.97 N +ATOM 5237 CA LYS A 360 177.217 186.596 198.769 1.00 40.22 C +ATOM 5238 C LYS A 360 176.238 187.309 199.695 1.00 39.72 C +ATOM 5239 O LYS A 360 175.663 188.334 199.332 1.00 33.46 O +ATOM 5240 CB LYS A 360 178.524 187.391 198.695 1.00 40.12 C +ATOM 5241 CG LYS A 360 179.308 187.434 199.998 1.00 36.10 C +ATOM 5242 CD LYS A 360 180.497 188.378 199.896 1.00 34.02 C +ATOM 5243 CE LYS A 360 181.441 188.228 201.078 1.00 32.41 C +ATOM 5244 NZ LYS A 360 182.267 189.450 201.298 1.00 31.47 N +ATOM 5245 H LYS A 360 176.281 187.125 197.120 1.00 35.96 H +ATOM 5246 HA LYS A 360 177.413 185.726 199.149 1.00 48.26 H +ATOM 5247 HB2 LYS A 360 179.094 186.989 198.022 1.00 48.15 H +ATOM 5248 HB3 LYS A 360 178.318 188.305 198.445 1.00 48.15 H +ATOM 5249 HG2 LYS A 360 178.730 187.748 200.711 1.00 43.32 H +ATOM 5250 HG3 LYS A 360 179.641 186.546 200.202 1.00 43.32 H +ATOM 5251 HD2 LYS A 360 180.992 188.181 199.086 1.00 40.82 H +ATOM 5252 HD3 LYS A 360 180.176 189.293 199.879 1.00 40.82 H +ATOM 5253 HE2 LYS A 360 180.922 188.066 201.881 1.00 38.90 H +ATOM 5254 HE3 LYS A 360 182.041 187.484 200.913 1.00 38.90 H +ATOM 5255 HZ1 LYS A 360 182.808 189.330 201.995 1.00 37.77 H +ATOM 5256 HZ2 LYS A 360 182.759 189.618 200.576 1.00 37.77 H +ATOM 5257 HZ3 LYS A 360 181.739 190.148 201.458 1.00 37.77 H +ATOM 5258 N PHE A 361 176.051 186.758 200.890 1.00 38.29 N +ATOM 5259 CA PHE A 361 175.342 187.466 201.944 1.00 39.51 C +ATOM 5260 C PHE A 361 176.353 188.250 202.761 1.00 30.46 C +ATOM 5261 O PHE A 361 177.138 187.674 203.512 1.00 27.90 O +ATOM 5262 CB PHE A 361 174.553 186.511 202.843 1.00 43.86 C +ATOM 5263 CG PHE A 361 173.889 187.194 204.007 1.00 34.84 C +ATOM 5264 CD1 PHE A 361 173.163 188.359 203.817 1.00 34.36 C +ATOM 5265 CD2 PHE A 361 173.990 186.678 205.286 1.00 33.35 C +ATOM 5266 CE1 PHE A 361 172.556 188.993 204.881 1.00 32.32 C +ATOM 5267 CE2 PHE A 361 173.383 187.308 206.350 1.00 31.82 C +ATOM 5268 CZ PHE A 361 172.665 188.465 206.148 1.00 31.35 C +ATOM 5269 H PHE A 361 176.326 185.975 201.114 1.00 45.95 H +ATOM 5270 HA PHE A 361 174.719 188.094 201.545 1.00 47.41 H +ATOM 5271 HB2 PHE A 361 173.861 186.083 202.316 1.00 52.63 H +ATOM 5272 HB3 PHE A 361 175.159 185.841 203.198 1.00 52.63 H +ATOM 5273 HD1 PHE A 361 173.087 188.720 202.963 1.00 41.24 H +ATOM 5274 HD2 PHE A 361 174.474 185.897 205.429 1.00 40.01 H +ATOM 5275 HE1 PHE A 361 172.070 189.774 204.742 1.00 38.78 H +ATOM 5276 HE2 PHE A 361 173.458 186.950 207.205 1.00 38.18 H +ATOM 5277 HZ PHE A 361 172.255 188.890 206.866 1.00 37.62 H +ATOM 5278 N ASP A 362 176.337 189.568 202.599 1.00 34.18 N +ATOM 5279 CA ASP A 362 177.278 190.433 203.290 1.00 38.30 C +ATOM 5280 C ASP A 362 176.705 191.840 203.434 1.00 35.07 C +ATOM 5281 O ASP A 362 176.873 192.673 202.548 1.00 34.18 O +ATOM 5282 CB ASP A 362 178.610 190.473 202.543 1.00 38.19 C +ATOM 5283 CG ASP A 362 179.671 191.265 203.284 1.00 36.84 C +ATOM 5284 OD1 ASP A 362 179.449 191.613 204.465 1.00 29.92 O +ATOM 5285 OD2 ASP A 362 180.734 191.534 202.688 1.00 39.84 O +ATOM 5286 H ASP A 362 175.785 189.987 202.090 1.00 41.02 H +ATOM 5287 HA ASP A 362 177.440 190.080 204.179 1.00 45.96 H +ATOM 5288 HB2 ASP A 362 178.937 189.567 202.430 1.00 45.83 H +ATOM 5289 HB3 ASP A 362 178.475 190.888 201.677 1.00 45.83 H +ATOM 5290 N PRO A 363 176.013 192.107 204.554 1.00 34.51 N +ATOM 5291 CA PRO A 363 175.416 193.422 204.809 1.00 36.04 C +ATOM 5292 C PRO A 363 176.390 194.591 204.676 1.00 29.57 C +ATOM 5293 O PRO A 363 175.960 195.707 204.387 1.00 30.45 O +ATOM 5294 CB PRO A 363 174.920 193.291 206.249 1.00 34.37 C +ATOM 5295 CG PRO A 363 174.574 191.865 206.375 1.00 30.58 C +ATOM 5296 CD PRO A 363 175.608 191.126 205.578 1.00 36.98 C +ATOM 5297 HA PRO A 363 174.658 193.567 204.221 1.00 43.24 H +ATOM 5298 HB2 PRO A 363 175.629 193.532 206.865 1.00 41.25 H +ATOM 5299 HB3 PRO A 363 174.139 193.851 206.382 1.00 41.25 H +ATOM 5300 HG2 PRO A 363 174.610 191.602 207.309 1.00 36.69 H +ATOM 5301 HG3 PRO A 363 173.688 191.711 206.011 1.00 36.69 H +ATOM 5302 HD2 PRO A 363 176.364 190.892 206.139 1.00 44.37 H +ATOM 5303 HD3 PRO A 363 175.218 190.342 205.160 1.00 44.37 H +ATOM 5304 N GLU A 364 177.678 194.340 204.872 1.00 34.63 N +ATOM 5305 CA GLU A 364 178.681 195.399 204.793 1.00 35.87 C +ATOM 5306 C GLU A 364 178.750 196.015 203.396 1.00 33.13 C +ATOM 5307 O GLU A 364 179.195 197.149 203.234 1.00 33.12 O +ATOM 5308 CB GLU A 364 180.051 194.859 205.200 1.00 37.14 C +ATOM 5309 CG GLU A 364 180.127 194.434 206.657 1.00 52.80 C +ATOM 5310 CD GLU A 364 181.455 193.806 207.021 1.00 62.23 C +ATOM 5311 OE1 GLU A 364 182.445 194.036 206.295 1.00 64.62 O +ATOM 5312 OE2 GLU A 364 181.506 193.078 208.035 1.00 62.71 O +ATOM 5313 H GLU A 364 178.000 193.564 205.054 1.00 41.55 H +ATOM 5314 HA GLU A 364 178.442 196.103 205.416 1.00 43.04 H +ATOM 5315 HB2 GLU A 364 180.258 194.084 204.653 1.00 44.57 H +ATOM 5316 HB3 GLU A 364 180.716 195.550 205.056 1.00 44.57 H +ATOM 5317 HG2 GLU A 364 180.001 195.214 207.220 1.00 63.37 H +ATOM 5318 HG3 GLU A 364 179.429 193.783 206.833 1.00 63.37 H +ATOM 5319 N LEU A 365 178.297 195.269 202.394 1.00 26.94 N +ATOM 5320 CA LEU A 365 178.304 195.747 201.017 1.00 30.31 C +ATOM 5321 C LEU A 365 177.436 196.989 200.818 1.00 32.28 C +ATOM 5322 O LEU A 365 177.662 197.762 199.891 1.00 41.35 O +ATOM 5323 CB LEU A 365 177.826 194.639 200.075 1.00 40.39 C +ATOM 5324 CG LEU A 365 178.645 193.345 200.053 1.00 36.21 C +ATOM 5325 CD1 LEU A 365 177.950 192.300 199.195 1.00 35.07 C +ATOM 5326 CD2 LEU A 365 180.055 193.593 199.553 1.00 33.47 C +ATOM 5327 H LEU A 365 177.978 194.476 202.486 1.00 32.33 H +ATOM 5328 HA LEU A 365 179.214 195.976 200.770 1.00 36.37 H +ATOM 5329 HB2 LEU A 365 176.920 194.400 200.326 1.00 48.47 H +ATOM 5330 HB3 LEU A 365 177.824 194.992 199.171 1.00 48.47 H +ATOM 5331 HG LEU A 365 178.706 192.997 200.956 1.00 43.45 H +ATOM 5332 HD11 LEU A 365 178.482 191.489 199.193 1.00 42.08 H +ATOM 5333 HD12 LEU A 365 177.072 192.120 199.568 1.00 42.08 H +ATOM 5334 HD13 LEU A 365 177.862 192.641 198.292 1.00 42.08 H +ATOM 5335 HD21 LEU A 365 180.541 192.753 199.554 1.00 40.16 H +ATOM 5336 HD22 LEU A 365 180.012 193.950 198.653 1.00 40.16 H +ATOM 5337 HD23 LEU A 365 180.491 194.228 200.142 1.00 40.16 H +ATOM 5338 N LEU A 366 176.448 197.179 201.688 1.00 33.85 N +ATOM 5339 CA LEU A 366 175.481 198.263 201.530 1.00 33.06 C +ATOM 5340 C LEU A 366 175.696 199.434 202.490 1.00 27.89 C +ATOM 5341 O LEU A 366 174.952 200.409 202.453 1.00 31.29 O +ATOM 5342 CB LEU A 366 174.063 197.720 201.713 1.00 37.05 C +ATOM 5343 CG LEU A 366 173.535 196.778 200.630 1.00 34.88 C +ATOM 5344 CD1 LEU A 366 172.232 196.137 201.085 1.00 37.14 C +ATOM 5345 CD2 LEU A 366 173.331 197.524 199.320 1.00 28.56 C +ATOM 5346 H LEU A 366 176.315 196.691 202.384 1.00 40.62 H +ATOM 5347 HA LEU A 366 175.549 198.608 200.627 1.00 39.68 H +ATOM 5348 HB2 LEU A 366 174.032 197.235 202.553 1.00 44.45 H +ATOM 5349 HB3 LEU A 366 173.455 198.474 201.757 1.00 44.45 H +ATOM 5350 HG LEU A 366 174.183 196.072 200.478 1.00 41.85 H +ATOM 5351 HD11 LEU A 366 171.911 195.544 200.388 1.00 44.57 H +ATOM 5352 HD12 LEU A 366 172.395 195.635 201.899 1.00 44.57 H +ATOM 5353 HD13 LEU A 366 171.579 196.835 201.253 1.00 44.57 H +ATOM 5354 HD21 LEU A 366 172.997 196.904 198.653 1.00 34.28 H +ATOM 5355 HD22 LEU A 366 172.689 198.237 199.461 1.00 34.28 H +ATOM 5356 HD23 LEU A 366 174.180 197.894 199.032 1.00 34.28 H +ATOM 5357 N PHE A 367 176.712 199.355 203.341 1.00 31.87 N +ATOM 5358 CA PHE A 367 176.917 200.379 204.365 1.00 33.33 C +ATOM 5359 C PHE A 367 177.335 201.735 203.795 1.00 33.60 C +ATOM 5360 O PHE A 367 177.126 202.765 204.434 1.00 42.85 O +ATOM 5361 CB PHE A 367 177.958 199.913 205.385 1.00 28.72 C +ATOM 5362 CG PHE A 367 177.476 198.814 206.303 1.00 34.95 C +ATOM 5363 CD1 PHE A 367 176.140 198.443 206.340 1.00 29.38 C +ATOM 5364 CD2 PHE A 367 178.366 198.159 207.138 1.00 30.22 C +ATOM 5365 CE1 PHE A 367 175.709 197.443 207.179 1.00 31.41 C +ATOM 5366 CE2 PHE A 367 177.935 197.157 207.981 1.00 35.47 C +ATOM 5367 CZ PHE A 367 176.605 196.799 208.003 1.00 31.51 C +ATOM 5368 H PHE A 367 177.296 198.723 203.348 1.00 38.24 H +ATOM 5369 HA PHE A 367 176.081 200.508 204.840 1.00 39.99 H +ATOM 5370 HB2 PHE A 367 178.734 199.579 204.908 1.00 34.47 H +ATOM 5371 HB3 PHE A 367 178.213 200.668 205.937 1.00 34.47 H +ATOM 5372 HD1 PHE A 367 175.529 198.873 205.786 1.00 35.25 H +ATOM 5373 HD2 PHE A 367 179.265 198.396 207.128 1.00 36.26 H +ATOM 5374 HE1 PHE A 367 174.810 197.203 207.193 1.00 37.69 H +ATOM 5375 HE2 PHE A 367 178.542 196.723 208.536 1.00 42.57 H +ATOM 5376 HZ PHE A 367 176.313 196.123 208.571 1.00 37.82 H +ATOM 5377 N ASN A 368 177.919 201.739 202.600 1.00 46.91 N +ATOM 5378 CA ASN A 368 178.280 202.985 201.924 1.00 57.66 C +ATOM 5379 C ASN A 368 177.265 203.370 200.851 1.00 44.82 C +ATOM 5380 O ASN A 368 177.467 204.332 200.113 1.00 55.85 O +ATOM 5381 CB ASN A 368 179.673 202.871 201.296 1.00 66.21 C +ATOM 5382 CG ASN A 368 180.789 203.107 202.294 1.00 93.15 C +ATOM 5383 OD1 ASN A 368 180.564 203.134 203.505 1.00 68.05 O +ATOM 5384 ND2 ASN A 368 182.003 203.280 201.787 1.00102.04 N +ATOM 5385 H ASN A 368 178.118 201.030 202.156 1.00 56.29 H +ATOM 5386 HA ASN A 368 178.306 203.700 202.579 1.00 69.19 H +ATOM 5387 HB2 ASN A 368 179.782 201.979 200.930 1.00 79.45 H +ATOM 5388 HB3 ASN A 368 179.756 203.532 200.591 1.00 79.45 H +ATOM 5389 HD21 ASN A 368 182.672 203.418 202.310 1.00122.45 H +ATOM 5390 HD22 ASN A 368 182.121 203.255 200.935 1.00122.45 H +ATOM 5391 N LYS A 369 176.172 202.618 200.770 1.00 45.06 N +ATOM 5392 CA LYS A 369 175.165 202.829 199.738 1.00 47.54 C +ATOM 5393 C LYS A 369 173.876 203.390 200.320 1.00 37.52 C +ATOM 5394 O LYS A 369 173.643 203.320 201.524 1.00 39.20 O +ATOM 5395 CB LYS A 369 174.864 201.517 199.010 1.00 44.26 C +ATOM 5396 CG LYS A 369 176.092 200.801 198.480 1.00 42.82 C +ATOM 5397 CD LYS A 369 176.810 201.628 197.432 1.00 47.54 C +ATOM 5398 CE LYS A 369 178.032 200.905 196.899 1.00 51.29 C +ATOM 5399 NZ LYS A 369 178.765 201.729 195.902 1.00 60.77 N +ATOM 5400 H LYS A 369 175.990 201.972 201.307 1.00 54.07 H +ATOM 5401 HA LYS A 369 175.504 203.464 199.088 1.00 57.05 H +ATOM 5402 HB2 LYS A 369 174.415 200.916 199.626 1.00 53.12 H +ATOM 5403 HB3 LYS A 369 174.284 201.706 198.256 1.00 53.12 H +ATOM 5404 HG2 LYS A 369 176.707 200.637 199.211 1.00 51.39 H +ATOM 5405 HG3 LYS A 369 175.822 199.963 198.073 1.00 51.39 H +ATOM 5406 HD2 LYS A 369 176.209 201.797 196.690 1.00 57.05 H +ATOM 5407 HD3 LYS A 369 177.100 202.465 197.828 1.00 57.05 H +ATOM 5408 HE2 LYS A 369 178.635 200.712 197.634 1.00 61.55 H +ATOM 5409 HE3 LYS A 369 177.754 200.083 196.467 1.00 61.55 H +ATOM 5410 HZ1 LYS A 369 179.476 201.285 195.604 1.00 72.93 H +ATOM 5411 HZ2 LYS A 369 178.233 201.917 195.213 1.00 72.93 H +ATOM 5412 HZ3 LYS A 369 179.035 202.490 196.275 1.00 72.93 H +ATOM 5413 N GLN A 370 173.043 203.955 199.455 1.00 42.25 N +ATOM 5414 CA GLN A 370 171.683 204.304 199.832 1.00 42.39 C +ATOM 5415 C GLN A 370 170.847 203.038 199.824 1.00 42.13 C +ATOM 5416 O GLN A 370 170.889 202.262 198.870 1.00 43.19 O +ATOM 5417 CB GLN A 370 171.093 205.342 198.883 1.00 34.87 C +ATOM 5418 CG GLN A 370 171.646 206.743 199.071 1.00 38.85 C +ATOM 5419 CD GLN A 370 171.139 207.708 198.019 1.00 42.47 C +ATOM 5420 OE1 GLN A 370 171.234 207.443 196.821 1.00 62.95 O +ATOM 5421 NE2 GLN A 370 170.585 208.830 198.462 1.00 47.12 N +ATOM 5422 H GLN A 370 173.243 204.147 198.641 1.00 50.70 H +ATOM 5423 HA GLN A 370 171.679 204.670 200.730 1.00 50.86 H +ATOM 5424 HB2 GLN A 370 171.280 205.072 197.970 1.00 41.85 H +ATOM 5425 HB3 GLN A 370 170.134 205.383 199.022 1.00 41.85 H +ATOM 5426 HG2 GLN A 370 171.377 207.076 199.941 1.00 46.62 H +ATOM 5427 HG3 GLN A 370 172.614 206.713 199.011 1.00 46.62 H +ATOM 5428 HE21 GLN A 370 170.529 208.978 199.307 1.00 56.55 H +ATOM 5429 HE22 GLN A 370 170.282 209.410 197.903 1.00 56.55 H +ATOM 5430 N PHE A 371 170.089 202.831 200.892 1.00 42.23 N +ATOM 5431 CA PHE A 371 169.305 201.617 201.050 1.00 34.10 C +ATOM 5432 C PHE A 371 168.405 201.765 202.266 1.00 25.13 C +ATOM 5433 O PHE A 371 168.829 202.287 203.290 1.00 29.09 O +ATOM 5434 CB PHE A 371 170.223 200.400 201.198 1.00 31.84 C +ATOM 5435 CG PHE A 371 169.509 199.085 201.134 1.00 28.86 C +ATOM 5436 CD1 PHE A 371 169.292 198.462 199.919 1.00 32.98 C +ATOM 5437 CD2 PHE A 371 169.072 198.462 202.286 1.00 32.47 C +ATOM 5438 CE1 PHE A 371 168.642 197.249 199.858 1.00 37.56 C +ATOM 5439 CE2 PHE A 371 168.422 197.248 202.228 1.00 27.54 C +ATOM 5440 CZ PHE A 371 168.207 196.642 201.015 1.00 28.89 C +ATOM 5441 H PHE A 371 170.012 203.384 201.546 1.00 50.67 H +ATOM 5442 HA PHE A 371 168.747 201.488 200.267 1.00 40.92 H +ATOM 5443 HB2 PHE A 371 170.879 200.415 200.484 1.00 38.20 H +ATOM 5444 HB3 PHE A 371 170.672 200.450 202.057 1.00 38.20 H +ATOM 5445 HD1 PHE A 371 169.583 198.868 199.135 1.00 39.57 H +ATOM 5446 HD2 PHE A 371 169.215 198.868 203.111 1.00 38.97 H +ATOM 5447 HE1 PHE A 371 168.497 196.840 199.035 1.00 45.08 H +ATOM 5448 HE2 PHE A 371 168.129 196.839 203.010 1.00 33.05 H +ATOM 5449 HZ PHE A 371 167.768 195.823 200.974 1.00 34.67 H +ATOM 5450 N GLN A 372 167.161 201.314 202.144 1.00 30.63 N +ATOM 5451 CA GLN A 372 166.211 201.361 203.250 1.00 29.75 C +ATOM 5452 C GLN A 372 166.108 200.000 203.930 1.00 23.34 C +ATOM 5453 O GLN A 372 165.780 199.001 203.292 1.00 19.20 O +ATOM 5454 CB GLN A 372 164.833 201.805 202.759 1.00 23.33 C +ATOM 5455 CG GLN A 372 164.836 203.124 202.023 1.00 17.76 C +ATOM 5456 CD GLN A 372 165.220 204.287 202.906 1.00 26.91 C +ATOM 5457 OE1 GLN A 372 164.649 204.485 203.977 1.00 28.84 O +ATOM 5458 NE2 GLN A 372 166.195 205.064 202.464 1.00 27.97 N +ATOM 5459 H GLN A 372 166.839 200.973 201.424 1.00 36.76 H +ATOM 5460 HA GLN A 372 166.519 202.005 203.907 1.00 35.70 H +ATOM 5461 HB2 GLN A 372 164.485 201.130 202.156 1.00 28.00 H +ATOM 5462 HB3 GLN A 372 164.244 201.896 203.525 1.00 28.00 H +ATOM 5463 HG2 GLN A 372 165.475 203.077 201.294 1.00 21.31 H +ATOM 5464 HG3 GLN A 372 163.947 203.293 201.673 1.00 21.31 H +ATOM 5465 HE21 GLN A 372 166.572 204.893 201.710 1.00 33.57 H +ATOM 5466 HE22 GLN A 372 166.451 205.740 202.930 1.00 33.57 H +ATOM 5467 N TYR A 373 166.394 199.970 205.227 1.00 21.40 N +ATOM 5468 CA TYR A 373 166.273 198.744 206.003 1.00 25.98 C +ATOM 5469 C TYR A 373 164.846 198.595 206.508 1.00 25.79 C +ATOM 5470 O TYR A 373 164.556 198.773 207.691 1.00 22.56 O +ATOM 5471 CB TYR A 373 167.280 198.735 207.151 1.00 22.86 C +ATOM 5472 CG TYR A 373 168.698 198.709 206.644 1.00 19.79 C +ATOM 5473 CD1 TYR A 373 169.215 197.568 206.051 1.00 24.24 C +ATOM 5474 CD2 TYR A 373 169.507 199.830 206.724 1.00 21.65 C +ATOM 5475 CE1 TYR A 373 170.503 197.539 205.568 1.00 26.46 C +ATOM 5476 CE2 TYR A 373 170.797 199.811 206.245 1.00 28.54 C +ATOM 5477 CZ TYR A 373 171.292 198.664 205.668 1.00 27.68 C +ATOM 5478 OH TYR A 373 172.579 198.642 205.190 1.00 23.67 O +ATOM 5479 H TYR A 373 166.661 200.649 205.682 1.00 25.68 H +ATOM 5480 HA TYR A 373 166.468 197.986 205.429 1.00 31.17 H +ATOM 5481 HB2 TYR A 373 167.163 199.537 207.685 1.00 27.43 H +ATOM 5482 HB3 TYR A 373 167.138 197.946 207.696 1.00 27.43 H +ATOM 5483 HD1 TYR A 373 168.684 196.807 205.983 1.00 29.09 H +ATOM 5484 HD2 TYR A 373 169.176 200.607 207.113 1.00 25.98 H +ATOM 5485 HE1 TYR A 373 170.839 196.765 205.179 1.00 31.76 H +ATOM 5486 HE2 TYR A 373 171.332 200.569 206.311 1.00 34.25 H +ATOM 5487 HH TYR A 373 172.753 197.886 204.867 1.00 28.41 H +ATOM 5488 N GLN A 374 163.964 198.279 205.567 1.00 28.08 N +ATOM 5489 CA GLN A 374 162.562 198.019 205.842 1.00 26.70 C +ATOM 5490 C GLN A 374 161.956 197.330 204.628 1.00 25.64 C +ATOM 5491 O GLN A 374 162.500 197.418 203.531 1.00 25.73 O +ATOM 5492 CB GLN A 374 161.810 199.313 206.163 1.00 24.90 C +ATOM 5493 CG GLN A 374 161.918 200.390 205.106 1.00 29.79 C +ATOM 5494 CD GLN A 374 161.023 201.579 205.404 1.00 28.78 C +ATOM 5495 OE1 GLN A 374 159.799 201.462 205.398 1.00 40.06 O +ATOM 5496 NE2 GLN A 374 161.630 202.729 205.671 1.00 33.00 N +ATOM 5497 H GLN A 374 164.164 198.208 204.733 1.00 33.69 H +ATOM 5498 HA GLN A 374 162.487 197.423 206.604 1.00 32.04 H +ATOM 5499 HB2 GLN A 374 160.870 199.105 206.274 1.00 29.88 H +ATOM 5500 HB3 GLN A 374 162.163 199.678 206.990 1.00 29.88 H +ATOM 5501 HG2 GLN A 374 162.835 200.705 205.066 1.00 35.75 H +ATOM 5502 HG3 GLN A 374 161.655 200.021 204.249 1.00 35.75 H +ATOM 5503 HE21 GLN A 374 162.489 202.772 205.669 1.00 39.60 H +ATOM 5504 HE22 GLN A 374 161.165 203.430 205.845 1.00 39.60 H +ATOM 5505 N ASN A 375 160.844 196.635 204.827 1.00 24.72 N +ATOM 5506 CA ASN A 375 160.192 195.928 203.734 1.00 22.79 C +ATOM 5507 C ASN A 375 158.688 195.822 203.938 1.00 20.49 C +ATOM 5508 O ASN A 375 158.194 195.891 205.058 1.00 25.53 O +ATOM 5509 CB ASN A 375 160.789 194.528 203.575 1.00 21.59 C +ATOM 5510 CG ASN A 375 160.394 193.872 202.265 1.00 24.22 C +ATOM 5511 OD1 ASN A 375 160.473 194.487 201.202 1.00 25.38 O +ATOM 5512 ND2 ASN A 375 159.949 192.624 202.337 1.00 16.23 N +ATOM 5513 H ASN A 375 160.447 196.557 205.585 1.00 29.66 H +ATOM 5514 HA ASN A 375 160.348 196.414 202.910 1.00 27.35 H +ATOM 5515 HB2 ASN A 375 161.757 194.592 203.599 1.00 25.90 H +ATOM 5516 HB3 ASN A 375 160.475 193.965 204.300 1.00 25.90 H +ATOM 5517 HD21 ASN A 375 159.713 192.210 201.621 1.00 19.47 H +ATOM 5518 HD22 ASN A 375 159.897 192.229 203.099 1.00 19.47 H +ATOM 5519 N ARG A 376 157.978 195.667 202.829 1.00 24.61 N +ATOM 5520 CA ARG A 376 156.539 195.458 202.828 1.00 20.68 C +ATOM 5521 C ARG A 376 156.225 194.471 201.710 1.00 19.47 C +ATOM 5522 O ARG A 376 156.577 194.703 200.555 1.00 23.00 O +ATOM 5523 CB ARG A 376 155.792 196.780 202.629 1.00 21.09 C +ATOM 5524 CG ARG A 376 154.296 196.714 202.915 1.00 22.08 C +ATOM 5525 CD ARG A 376 153.995 196.711 204.408 1.00 24.85 C +ATOM 5526 NE ARG A 376 154.441 197.938 205.063 1.00 26.76 N +ATOM 5527 CZ ARG A 376 153.742 199.067 205.118 1.00 23.84 C +ATOM 5528 NH1 ARG A 376 152.543 199.148 204.554 1.00 23.63 N +ATOM 5529 NH2 ARG A 376 154.247 200.124 205.738 1.00 26.23 N +ATOM 5530 H ARG A 376 158.319 195.679 202.040 1.00 29.53 H +ATOM 5531 HA ARG A 376 156.264 195.069 203.673 1.00 24.82 H +ATOM 5532 HB2 ARG A 376 156.175 197.444 203.223 1.00 25.31 H +ATOM 5533 HB3 ARG A 376 155.903 197.062 201.708 1.00 25.31 H +ATOM 5534 HG2 ARG A 376 153.863 197.487 202.521 1.00 26.49 H +ATOM 5535 HG3 ARG A 376 153.935 195.898 202.532 1.00 26.49 H +ATOM 5536 HD2 ARG A 376 153.037 196.630 204.539 1.00 29.82 H +ATOM 5537 HD3 ARG A 376 154.452 195.964 204.823 1.00 29.82 H +ATOM 5538 HE ARG A 376 155.213 197.929 205.441 1.00 32.11 H +ATOM 5539 HH11 ARG A 376 152.211 198.466 204.150 1.00 28.35 H +ATOM 5540 HH12 ARG A 376 152.097 199.883 204.594 1.00 28.35 H +ATOM 5541 HH21 ARG A 376 155.023 200.077 206.105 1.00 31.48 H +ATOM 5542 HH22 ARG A 376 153.797 200.856 205.776 1.00 31.48 H +ATOM 5543 N ILE A 377 155.584 193.364 202.061 1.00 20.76 N +ATOM 5544 CA ILE A 377 155.358 192.275 201.117 1.00 27.83 C +ATOM 5545 C ILE A 377 154.359 192.652 200.032 1.00 25.56 C +ATOM 5546 O ILE A 377 153.224 193.038 200.312 1.00 23.27 O +ATOM 5547 CB ILE A 377 154.868 191.007 201.845 1.00 22.76 C +ATOM 5548 CG1 ILE A 377 155.917 190.548 202.862 1.00 28.23 C +ATOM 5549 CG2 ILE A 377 154.558 189.883 200.852 1.00 23.38 C +ATOM 5550 CD1 ILE A 377 157.255 190.116 202.248 1.00 21.62 C +ATOM 5551 H ILE A 377 155.266 193.216 202.847 1.00 24.91 H +ATOM 5552 HA ILE A 377 156.199 192.061 200.683 1.00 33.39 H +ATOM 5553 HB ILE A 377 154.053 191.226 202.324 1.00 27.32 H +ATOM 5554 HG12 ILE A 377 156.097 191.279 203.474 1.00 33.87 H +ATOM 5555 HG13 ILE A 377 155.562 189.791 203.353 1.00 33.87 H +ATOM 5556 HG21 ILE A 377 154.253 189.104 201.343 1.00 28.06 H +ATOM 5557 HG22 ILE A 377 153.866 190.183 200.243 1.00 28.06 H +ATOM 5558 HG23 ILE A 377 155.365 189.669 200.358 1.00 28.06 H +ATOM 5559 HD11 ILE A 377 157.855 189.843 202.960 1.00 25.95 H +ATOM 5560 HD12 ILE A 377 157.100 189.374 201.643 1.00 25.95 H +ATOM 5561 HD13 ILE A 377 157.636 190.865 201.764 1.00 25.95 H +ATOM 5562 N ALA A 378 154.801 192.519 198.786 1.00 27.85 N +ATOM 5563 CA ALA A 378 153.983 192.859 197.630 1.00 21.72 C +ATOM 5564 C ALA A 378 153.075 191.704 197.229 1.00 19.78 C +ATOM 5565 O ALA A 378 153.514 190.557 197.152 1.00 25.15 O +ATOM 5566 CB ALA A 378 154.866 193.255 196.469 1.00 28.45 C +ATOM 5567 H ALA A 378 155.584 192.230 198.582 1.00 33.42 H +ATOM 5568 HA ALA A 378 153.422 193.618 197.853 1.00 26.06 H +ATOM 5569 HB1 ALA A 378 154.306 193.478 195.709 1.00 34.14 H +ATOM 5570 HB2 ALA A 378 155.398 194.024 196.726 1.00 34.14 H +ATOM 5571 HB3 ALA A 378 155.446 192.510 196.247 1.00 34.14 H +ATOM 5572 N ALA A 379 151.809 192.013 196.968 1.00 28.76 N +ATOM 5573 CA ALA A 379 150.845 191.011 196.525 1.00 25.91 C +ATOM 5574 C ALA A 379 151.311 190.326 195.245 1.00 27.14 C +ATOM 5575 O ALA A 379 151.057 189.143 195.043 1.00 28.56 O +ATOM 5576 CB ALA A 379 149.485 191.646 196.313 1.00 25.47 C +ATOM 5577 H ALA A 379 151.480 192.804 197.041 1.00 34.51 H +ATOM 5578 HA ALA A 379 150.756 190.333 197.212 1.00 31.09 H +ATOM 5579 HB1 ALA A 379 148.861 190.964 196.019 1.00 30.57 H +ATOM 5580 HB2 ALA A 379 149.184 192.032 197.150 1.00 30.57 H +ATOM 5581 HB3 ALA A 379 149.562 192.338 195.638 1.00 30.57 H +ATOM 5582 N GLU A 380 151.995 191.072 194.384 1.00 32.14 N +ATOM 5583 CA GLU A 380 152.467 190.521 193.119 1.00 28.20 C +ATOM 5584 C GLU A 380 153.566 189.500 193.357 1.00 29.08 C +ATOM 5585 O GLU A 380 153.671 188.507 192.635 1.00 33.70 O +ATOM 5586 CB GLU A 380 152.968 191.630 192.199 1.00 31.26 C +ATOM 5587 CG GLU A 380 151.889 192.614 191.791 1.00 34.69 C +ATOM 5588 CD GLU A 380 151.880 193.869 192.640 1.00 32.56 C +ATOM 5589 OE1 GLU A 380 152.345 193.817 193.795 1.00 32.50 O +ATOM 5590 OE2 GLU A 380 151.408 194.912 192.143 1.00 31.57 O +ATOM 5591 H GLU A 380 152.200 191.898 194.508 1.00 38.57 H +ATOM 5592 HA GLU A 380 151.730 190.072 192.675 1.00 33.85 H +ATOM 5593 HB2 GLU A 380 153.665 192.125 192.656 1.00 37.51 H +ATOM 5594 HB3 GLU A 380 153.324 191.229 191.391 1.00 37.51 H +ATOM 5595 HG2 GLU A 380 152.035 192.877 190.869 1.00 41.63 H +ATOM 5596 HG3 GLU A 380 151.023 192.187 191.880 1.00 41.63 H +ATOM 5597 N PHE A 381 154.387 189.756 194.371 1.00 29.65 N +ATOM 5598 CA PHE A 381 155.424 188.817 194.781 1.00 29.27 C +ATOM 5599 C PHE A 381 154.769 187.522 195.240 1.00 25.41 C +ATOM 5600 O PHE A 381 155.229 186.431 194.914 1.00 28.15 O +ATOM 5601 CB PHE A 381 156.281 189.427 195.895 1.00 29.46 C +ATOM 5602 CG PHE A 381 157.530 188.650 196.221 1.00 26.76 C +ATOM 5603 CD1 PHE A 381 158.298 188.076 195.223 1.00 32.22 C +ATOM 5604 CD2 PHE A 381 157.958 188.533 197.534 1.00 32.63 C +ATOM 5605 CE1 PHE A 381 159.453 187.378 195.532 1.00 29.24 C +ATOM 5606 CE2 PHE A 381 159.110 187.838 197.847 1.00 27.22 C +ATOM 5607 CZ PHE A 381 159.859 187.261 196.844 1.00 28.79 C +ATOM 5608 H PHE A 381 154.363 190.475 194.842 1.00 35.58 H +ATOM 5609 HA PHE A 381 155.999 188.620 194.025 1.00 35.12 H +ATOM 5610 HB2 PHE A 381 156.551 190.319 195.625 1.00 35.36 H +ATOM 5611 HB3 PHE A 381 155.747 189.479 196.704 1.00 35.36 H +ATOM 5612 HD1 PHE A 381 158.029 188.150 194.336 1.00 38.66 H +ATOM 5613 HD2 PHE A 381 157.456 188.920 198.216 1.00 39.15 H +ATOM 5614 HE1 PHE A 381 159.956 186.990 194.854 1.00 35.09 H +ATOM 5615 HE2 PHE A 381 159.381 187.761 198.733 1.00 32.67 H +ATOM 5616 HZ PHE A 381 160.634 186.792 197.052 1.00 34.54 H +ATOM 5617 N ASN A 382 153.686 187.654 195.999 1.00 33.27 N +ATOM 5618 CA ASN A 382 152.900 186.502 196.424 1.00 29.49 C +ATOM 5619 C ASN A 382 152.408 185.728 195.211 1.00 33.62 C +ATOM 5620 O ASN A 382 152.615 184.524 195.116 1.00 34.10 O +ATOM 5621 CB ASN A 382 151.721 186.949 197.294 1.00 33.77 C +ATOM 5622 CG ASN A 382 150.917 185.785 197.858 1.00 35.35 C +ATOM 5623 OD1 ASN A 382 150.724 184.762 197.209 1.00 40.36 O +ATOM 5624 ND2 ASN A 382 150.436 185.952 199.079 1.00 50.91 N +ATOM 5625 H ASN A 382 153.383 188.407 196.283 1.00 39.92 H +ATOM 5626 HA ASN A 382 153.460 185.912 196.953 1.00 35.38 H +ATOM 5627 HB2 ASN A 382 152.060 187.467 198.041 1.00 40.53 H +ATOM 5628 HB3 ASN A 382 151.123 187.493 196.758 1.00 40.53 H +ATOM 5629 HD21 ASN A 382 149.974 185.328 199.448 1.00 61.09 H +ATOM 5630 HD22 ASN A 382 150.586 186.685 199.503 1.00 61.09 H +ATOM 5631 N THR A 383 151.777 186.434 194.281 1.00 36.74 N +ATOM 5632 CA THR A 383 151.204 185.817 193.091 1.00 28.03 C +ATOM 5633 C THR A 383 152.236 185.052 192.266 1.00 34.14 C +ATOM 5634 O THR A 383 152.018 183.893 191.915 1.00 32.21 O +ATOM 5635 CB THR A 383 150.537 186.875 192.198 1.00 36.84 C +ATOM 5636 OG1 THR A 383 149.493 187.521 192.934 1.00 42.01 O +ATOM 5637 CG2 THR A 383 149.947 186.248 190.939 1.00 37.41 C +ATOM 5638 H THR A 383 151.665 187.286 194.316 1.00 44.09 H +ATOM 5639 HA THR A 383 150.519 185.187 193.365 1.00 33.63 H +ATOM 5640 HB THR A 383 151.198 187.533 191.931 1.00 44.20 H +ATOM 5641 HG1 THR A 383 149.121 188.103 192.456 1.00 50.41 H +ATOM 5642 HG21 THR A 383 149.532 186.932 190.391 1.00 44.89 H +ATOM 5643 HG22 THR A 383 150.646 185.814 190.426 1.00 44.89 H +ATOM 5644 HG23 THR A 383 149.277 185.589 191.180 1.00 44.89 H +ATOM 5645 N LEU A 384 153.358 185.694 191.956 1.00 33.79 N +ATOM 5646 CA LEU A 384 154.357 185.076 191.090 1.00 33.29 C +ATOM 5647 C LEU A 384 155.001 183.853 191.742 1.00 36.07 C +ATOM 5648 O LEU A 384 155.609 183.036 191.055 1.00 37.00 O +ATOM 5649 CB LEU A 384 155.436 186.094 190.694 1.00 28.78 C +ATOM 5650 CG LEU A 384 156.455 186.566 191.737 1.00 23.93 C +ATOM 5651 CD1 LEU A 384 157.657 185.633 191.824 1.00 27.97 C +ATOM 5652 CD2 LEU A 384 156.915 187.975 191.412 1.00 29.90 C +ATOM 5653 H LEU A 384 153.564 186.482 192.232 1.00 40.55 H +ATOM 5654 HA LEU A 384 153.920 184.779 190.276 1.00 39.94 H +ATOM 5655 HB2 LEU A 384 155.946 185.709 189.964 1.00 34.54 H +ATOM 5656 HB3 LEU A 384 154.983 186.889 190.372 1.00 34.54 H +ATOM 5657 HG LEU A 384 156.028 186.584 192.607 1.00 28.72 H +ATOM 5658 HD11 LEU A 384 158.271 185.972 192.494 1.00 33.56 H +ATOM 5659 HD12 LEU A 384 157.352 184.747 192.073 1.00 33.56 H +ATOM 5660 HD13 LEU A 384 158.096 185.602 190.959 1.00 33.56 H +ATOM 5661 HD21 LEU A 384 157.558 188.259 192.079 1.00 35.88 H +ATOM 5662 HD22 LEU A 384 157.326 187.978 190.533 1.00 35.88 H +ATOM 5663 HD23 LEU A 384 156.146 188.567 191.420 1.00 35.88 H +ATOM 5664 N TYR A 385 154.860 183.717 193.059 1.00 36.53 N +ATOM 5665 CA TYR A 385 155.519 182.626 193.775 1.00 33.34 C +ATOM 5666 C TYR A 385 154.667 181.358 193.872 1.00 32.51 C +ATOM 5667 O TYR A 385 155.037 180.419 194.573 1.00 32.92 O +ATOM 5668 CB TYR A 385 155.927 183.076 195.179 1.00 29.67 C +ATOM 5669 CG TYR A 385 157.392 182.829 195.465 1.00 29.64 C +ATOM 5670 CD1 TYR A 385 157.894 181.537 195.529 1.00 23.92 C +ATOM 5671 CD2 TYR A 385 158.274 183.886 195.653 1.00 22.72 C +ATOM 5672 CE1 TYR A 385 159.227 181.303 195.779 1.00 26.34 C +ATOM 5673 CE2 TYR A 385 159.611 183.660 195.905 1.00 23.08 C +ATOM 5674 CZ TYR A 385 160.083 182.365 195.966 1.00 28.45 C +ATOM 5675 OH TYR A 385 161.415 182.129 196.216 1.00 22.79 O +ATOM 5676 H TYR A 385 154.393 184.238 193.559 1.00 43.83 H +ATOM 5677 HA TYR A 385 156.330 182.393 193.297 1.00 40.01 H +ATOM 5678 HB2 TYR A 385 155.759 184.027 195.268 1.00 35.61 H +ATOM 5679 HB3 TYR A 385 155.406 182.584 195.833 1.00 35.61 H +ATOM 5680 HD1 TYR A 385 157.320 180.817 195.402 1.00 28.70 H +ATOM 5681 HD2 TYR A 385 157.957 184.759 195.611 1.00 27.26 H +ATOM 5682 HE1 TYR A 385 159.549 180.432 195.822 1.00 31.61 H +ATOM 5683 HE2 TYR A 385 160.190 184.376 196.031 1.00 27.69 H +ATOM 5684 HH TYR A 385 161.823 182.857 196.310 1.00 27.35 H +ATOM 5685 N HIS A 386 153.540 181.317 193.169 1.00 36.01 N +ATOM 5686 CA HIS A 386 152.732 180.101 193.127 1.00 47.62 C +ATOM 5687 C HIS A 386 153.366 179.082 192.183 1.00 46.23 C +ATOM 5688 O HIS A 386 152.832 178.797 191.113 1.00 47.84 O +ATOM 5689 CB HIS A 386 151.300 180.410 192.694 1.00 43.74 C +ATOM 5690 CG HIS A 386 150.523 181.194 193.703 1.00 45.49 C +ATOM 5691 ND1 HIS A 386 149.337 180.746 194.246 1.00 57.48 N +ATOM 5692 CD2 HIS A 386 150.768 182.395 194.277 1.00 46.79 C +ATOM 5693 CE1 HIS A 386 148.884 181.641 195.105 1.00 47.94 C +ATOM 5694 NE2 HIS A 386 149.733 182.651 195.142 1.00 39.23 N +ATOM 5695 H HIS A 386 153.223 181.972 192.710 1.00 43.22 H +ATOM 5696 HA HIS A 386 152.701 179.710 194.015 1.00 57.14 H +ATOM 5697 HB2 HIS A 386 151.327 180.926 191.873 1.00 52.49 H +ATOM 5698 HB3 HIS A 386 150.832 179.574 192.542 1.00 52.49 H +ATOM 5699 HD2 HIS A 386 151.499 182.945 194.112 1.00 56.15 H +ATOM 5700 HE1 HIS A 386 148.099 181.572 195.601 1.00 57.52 H +ATOM 5701 HE2 HIS A 386 149.653 183.355 195.630 1.00 47.07 H +ATOM 5702 N TRP A 387 154.511 178.540 192.594 1.00 43.70 N +ATOM 5703 CA TRP A 387 155.273 177.599 191.776 1.00 47.04 C +ATOM 5704 C TRP A 387 154.776 176.169 191.939 1.00 48.27 C +ATOM 5705 O TRP A 387 155.552 175.276 192.267 1.00 53.38 O +ATOM 5706 CB TRP A 387 156.759 177.644 192.144 1.00 46.27 C +ATOM 5707 CG TRP A 387 157.421 178.968 191.967 1.00 34.59 C +ATOM 5708 CD1 TRP A 387 156.926 180.059 191.317 1.00 37.59 C +ATOM 5709 CD2 TRP A 387 158.715 179.341 192.450 1.00 33.92 C +ATOM 5710 NE1 TRP A 387 157.832 181.090 191.368 1.00 32.33 N +ATOM 5711 CE2 TRP A 387 158.940 180.673 192.058 1.00 26.49 C +ATOM 5712 CE3 TRP A 387 159.706 178.676 193.178 1.00 26.34 C +ATOM 5713 CZ2 TRP A 387 160.112 181.353 192.369 1.00 25.40 C +ATOM 5714 CZ3 TRP A 387 160.867 179.351 193.485 1.00 28.94 C +ATOM 5715 CH2 TRP A 387 161.062 180.675 193.081 1.00 27.43 C +ATOM 5716 H TRP A 387 154.873 178.705 193.356 1.00 52.44 H +ATOM 5717 HA TRP A 387 155.185 177.845 190.842 1.00 56.45 H +ATOM 5718 HB2 TRP A 387 156.852 177.394 193.077 1.00 55.52 H +ATOM 5719 HB3 TRP A 387 157.232 177.005 191.589 1.00 55.52 H +ATOM 5720 HD1 TRP A 387 156.095 180.099 190.901 1.00 45.10 H +ATOM 5721 HE1 TRP A 387 157.722 181.870 191.022 1.00 38.79 H +ATOM 5722 HE3 TRP A 387 159.583 177.795 193.450 1.00 31.61 H +ATOM 5723 HZ2 TRP A 387 160.246 182.233 192.102 1.00 30.47 H +ATOM 5724 HZ3 TRP A 387 161.533 178.918 193.968 1.00 34.73 H +ATOM 5725 HH2 TRP A 387 161.856 181.106 193.302 1.00 32.92 H +ATOM 5726 N HIS A 388 153.491 175.942 191.709 1.00 54.66 N +ATOM 5727 CA HIS A 388 152.925 174.613 191.906 1.00 64.80 C +ATOM 5728 C HIS A 388 153.280 173.613 190.796 1.00 59.90 C +ATOM 5729 O HIS A 388 153.159 172.406 191.000 1.00 55.66 O +ATOM 5730 CB HIS A 388 151.411 174.730 192.063 1.00 53.34 C +ATOM 5731 CG HIS A 388 151.003 175.440 193.315 1.00 54.27 C +ATOM 5732 ND1 HIS A 388 150.498 176.721 193.315 1.00 56.40 N +ATOM 5733 CD2 HIS A 388 151.062 175.059 194.613 1.00 56.79 C +ATOM 5734 CE1 HIS A 388 150.248 177.093 194.558 1.00 62.86 C +ATOM 5735 NE2 HIS A 388 150.580 176.102 195.366 1.00 68.85 N +ATOM 5736 H HIS A 388 152.928 176.534 191.440 1.00 65.59 H +ATOM 5737 HA HIS A 388 153.274 174.256 192.737 1.00 77.76 H +ATOM 5738 HB2 HIS A 388 151.053 175.224 191.309 1.00 64.01 H +ATOM 5739 HB3 HIS A 388 151.027 173.839 192.086 1.00 64.01 H +ATOM 5740 HD1 HIS A 388 150.361 177.202 192.615 1.00 67.68 H +ATOM 5741 HD2 HIS A 388 151.364 174.240 194.934 1.00 68.14 H +ATOM 5742 HE1 HIS A 388 149.895 177.913 194.820 1.00 75.43 H +ATOM 5743 N PRO A 389 153.719 174.098 189.621 1.00 60.95 N +ATOM 5744 CA PRO A 389 154.293 173.138 188.673 1.00 58.56 C +ATOM 5745 C PRO A 389 155.538 172.411 189.195 1.00 54.55 C +ATOM 5746 O PRO A 389 155.950 171.426 188.586 1.00 54.90 O +ATOM 5747 CB PRO A 389 154.650 174.014 187.471 1.00 52.67 C +ATOM 5748 CG PRO A 389 153.665 175.114 187.513 1.00 52.55 C +ATOM 5749 CD PRO A 389 153.406 175.383 188.967 1.00 59.46 C +ATOM 5750 HA PRO A 389 153.626 172.485 188.407 1.00 70.28 H +ATOM 5751 HB2 PRO A 389 155.553 174.355 187.570 1.00 63.20 H +ATOM 5752 HB3 PRO A 389 154.560 173.502 186.653 1.00 63.20 H +ATOM 5753 HG2 PRO A 389 154.038 175.899 187.083 1.00 63.05 H +ATOM 5754 HG3 PRO A 389 152.849 174.836 187.068 1.00 63.05 H +ATOM 5755 HD2 PRO A 389 153.997 176.079 189.292 1.00 71.36 H +ATOM 5756 HD3 PRO A 389 152.474 175.614 189.107 1.00 71.36 H +ATOM 5757 N LEU A 390 156.131 172.892 190.283 1.00 57.56 N +ATOM 5758 CA LEU A 390 157.266 172.208 190.902 1.00 53.50 C +ATOM 5759 C LEU A 390 156.883 170.812 191.365 1.00 48.11 C +ATOM 5760 O LEU A 390 157.709 169.899 191.378 1.00 45.65 O +ATOM 5761 CB LEU A 390 157.794 172.997 192.104 1.00 52.02 C +ATOM 5762 CG LEU A 390 158.769 174.153 191.881 1.00 45.79 C +ATOM 5763 CD1 LEU A 390 159.000 174.875 193.194 1.00 42.02 C +ATOM 5764 CD2 LEU A 390 160.085 173.650 191.316 1.00 45.40 C +ATOM 5765 H LEU A 390 155.896 173.615 190.684 1.00 69.07 H +ATOM 5766 HA LEU A 390 157.983 172.127 190.254 1.00 64.20 H +ATOM 5767 HB2 LEU A 390 157.028 173.368 192.569 1.00 62.43 H +ATOM 5768 HB3 LEU A 390 158.241 172.369 192.693 1.00 62.43 H +ATOM 5769 HG LEU A 390 158.385 174.781 191.249 1.00 54.95 H +ATOM 5770 HD11 LEU A 390 159.619 175.607 193.047 1.00 50.43 H +ATOM 5771 HD12 LEU A 390 158.153 175.218 193.518 1.00 50.43 H +ATOM 5772 HD13 LEU A 390 159.372 174.250 193.836 1.00 50.43 H +ATOM 5773 HD21 LEU A 390 160.681 174.404 191.185 1.00 54.48 H +ATOM 5774 HD22 LEU A 390 160.478 173.022 191.942 1.00 54.48 H +ATOM 5775 HD23 LEU A 390 159.917 173.210 190.468 1.00 54.48 H +ATOM 5776 N LEU A 391 155.625 170.659 191.756 1.00 52.01 N +ATOM 5777 CA LEU A 391 155.183 169.456 192.443 1.00 67.61 C +ATOM 5778 C LEU A 391 155.139 168.241 191.514 1.00 64.64 C +ATOM 5779 O LEU A 391 154.721 168.355 190.363 1.00 60.69 O +ATOM 5780 CB LEU A 391 153.811 169.695 193.060 1.00 74.77 C +ATOM 5781 CG LEU A 391 153.748 170.789 194.125 1.00 69.74 C +ATOM 5782 CD1 LEU A 391 152.305 171.178 194.400 1.00 70.85 C +ATOM 5783 CD2 LEU A 391 154.429 170.328 195.407 1.00 60.53 C +ATOM 5784 H LEU A 391 155.004 171.241 191.633 1.00 62.41 H +ATOM 5785 HA LEU A 391 155.804 169.259 193.162 1.00 81.13 H +ATOM 5786 HB2 LEU A 391 153.195 169.942 192.353 1.00 89.73 H +ATOM 5787 HB3 LEU A 391 153.513 168.869 193.474 1.00 89.73 H +ATOM 5788 HG LEU A 391 154.215 171.575 193.800 1.00 83.69 H +ATOM 5789 HD11 LEU A 391 152.289 171.872 195.077 1.00 85.02 H +ATOM 5790 HD12 LEU A 391 151.905 171.505 193.579 1.00 85.02 H +ATOM 5791 HD13 LEU A 391 151.823 170.397 194.715 1.00 85.02 H +ATOM 5792 HD21 LEU A 391 154.376 171.038 196.066 1.00 72.64 H +ATOM 5793 HD22 LEU A 391 153.977 169.535 195.737 1.00 72.64 H +ATOM 5794 HD23 LEU A 391 155.357 170.123 195.215 1.00 72.64 H +ATOM 5795 N PRO A 392 155.564 167.066 192.014 1.00 63.55 N +ATOM 5796 CA PRO A 392 155.579 165.850 191.193 1.00 70.05 C +ATOM 5797 C PRO A 392 154.204 165.198 191.087 1.00 65.18 C +ATOM 5798 O PRO A 392 153.240 165.707 191.655 1.00 63.21 O +ATOM 5799 CB PRO A 392 156.556 164.946 191.943 1.00 68.31 C +ATOM 5800 CG PRO A 392 156.388 165.338 193.371 1.00 71.26 C +ATOM 5801 CD PRO A 392 156.048 166.805 193.383 1.00 60.90 C +ATOM 5802 HA PRO A 392 155.922 166.039 190.306 1.00 84.06 H +ATOM 5803 HB2 PRO A 392 156.315 164.016 191.809 1.00 81.97 H +ATOM 5804 HB3 PRO A 392 157.462 165.117 191.641 1.00 81.97 H +ATOM 5805 HG2 PRO A 392 155.667 164.821 193.764 1.00 85.52 H +ATOM 5806 HG3 PRO A 392 157.217 165.179 193.849 1.00 85.52 H +ATOM 5807 HD2 PRO A 392 155.346 166.984 194.028 1.00 73.08 H +ATOM 5808 HD3 PRO A 392 156.841 167.333 193.566 1.00 73.08 H +ATOM 5809 N ASP A 393 154.119 164.085 190.365 1.00 62.26 N +ATOM 5810 CA ASP A 393 152.872 163.335 190.259 1.00 61.51 C +ATOM 5811 C ASP A 393 152.664 162.498 191.515 1.00 58.90 C +ATOM 5812 O ASP A 393 151.546 162.371 192.011 1.00 59.56 O +ATOM 5813 CB ASP A 393 152.879 162.441 189.019 1.00 63.49 C +ATOM 5814 CG ASP A 393 152.957 163.232 187.731 1.00 66.18 C +ATOM 5815 OD1 ASP A 393 152.315 164.300 187.645 1.00 63.21 O +ATOM 5816 OD2 ASP A 393 153.664 162.787 186.804 1.00 63.03 O +ATOM 5817 H ASP A 393 154.773 163.741 189.924 1.00 74.71 H +ATOM 5818 HA ASP A 393 152.131 163.956 190.181 1.00 73.81 H +ATOM 5819 HB2 ASP A 393 153.650 161.853 189.058 1.00 76.19 H +ATOM 5820 HB3 ASP A 393 152.062 161.918 189.002 1.00 76.19 H +ATOM 5821 N THR A 394 153.754 161.924 192.013 1.00 56.67 N +ATOM 5822 CA THR A 394 153.748 161.204 193.280 1.00 58.93 C +ATOM 5823 C THR A 394 154.969 161.604 194.094 1.00 56.13 C +ATOM 5824 O THR A 394 155.959 162.082 193.543 1.00 58.42 O +ATOM 5825 CB THR A 394 153.753 159.674 193.083 1.00 67.17 C +ATOM 5826 OG1 THR A 394 154.973 159.274 192.446 1.00 70.39 O +ATOM 5827 CG2 THR A 394 152.571 159.236 192.235 1.00 73.01 C +ATOM 5828 H THR A 394 154.523 161.939 191.629 1.00 68.00 H +ATOM 5829 HA THR A 394 152.954 161.444 193.783 1.00 70.71 H +ATOM 5830 HB THR A 394 153.686 159.240 193.947 1.00 80.61 H +ATOM 5831 HG1 THR A 394 154.980 158.442 192.336 1.00 84.47 H +ATOM 5832 HG21 THR A 394 152.586 158.273 192.119 1.00 87.61 H +ATOM 5833 HG22 THR A 394 151.741 159.488 192.669 1.00 87.61 H +ATOM 5834 HG23 THR A 394 152.613 159.660 191.364 1.00 87.61 H +ATOM 5835 N PHE A 395 154.889 161.411 195.405 1.00 48.84 N +ATOM 5836 CA PHE A 395 156.012 161.677 196.294 1.00 61.76 C +ATOM 5837 C PHE A 395 156.695 160.368 196.658 1.00 65.64 C +ATOM 5838 O PHE A 395 156.074 159.475 197.235 1.00 54.74 O +ATOM 5839 CB PHE A 395 155.540 162.406 197.552 1.00 58.73 C +ATOM 5840 CG PHE A 395 154.830 163.694 197.266 1.00 53.23 C +ATOM 5841 CD1 PHE A 395 153.475 163.703 196.989 1.00 54.45 C +ATOM 5842 CD2 PHE A 395 155.518 164.894 197.266 1.00 57.75 C +ATOM 5843 CE1 PHE A 395 152.819 164.883 196.722 1.00 53.41 C +ATOM 5844 CE2 PHE A 395 154.864 166.079 196.999 1.00 61.68 C +ATOM 5845 CZ PHE A 395 153.512 166.073 196.727 1.00 55.64 C +ATOM 5846 H PHE A 395 154.187 161.122 195.809 1.00 58.61 H +ATOM 5847 HA PHE A 395 156.656 162.241 195.838 1.00 74.11 H +ATOM 5848 HB2 PHE A 395 154.929 161.831 198.037 1.00 70.48 H +ATOM 5849 HB3 PHE A 395 156.311 162.608 198.105 1.00 70.48 H +ATOM 5850 HD1 PHE A 395 153.002 162.903 196.985 1.00 65.34 H +ATOM 5851 HD2 PHE A 395 156.429 164.903 197.449 1.00 69.31 H +ATOM 5852 HE1 PHE A 395 151.907 164.877 196.539 1.00 64.10 H +ATOM 5853 HE2 PHE A 395 155.334 166.881 197.003 1.00 74.02 H +ATOM 5854 HZ PHE A 395 153.070 166.871 196.547 1.00 66.77 H +ATOM 5855 N GLN A 396 157.974 160.261 196.311 1.00 65.01 N +ATOM 5856 CA GLN A 396 158.722 159.026 196.515 1.00 63.17 C +ATOM 5857 C GLN A 396 159.658 159.117 197.713 1.00 58.13 C +ATOM 5858 O GLN A 396 160.744 159.683 197.614 1.00 59.52 O +ATOM 5859 CB GLN A 396 159.523 158.676 195.262 1.00 64.98 C +ATOM 5860 CG GLN A 396 158.659 158.266 194.078 1.00 68.77 C +ATOM 5861 CD GLN A 396 158.825 159.182 192.881 1.00 74.46 C +ATOM 5862 OE1 GLN A 396 159.941 159.559 192.521 1.00 67.61 O +ATOM 5863 NE2 GLN A 396 157.711 159.547 192.258 1.00 70.11 N +ATOM 5864 H GLN A 396 158.433 160.893 195.952 1.00 78.01 H +ATOM 5865 HA GLN A 396 158.096 158.304 196.681 1.00 75.81 H +ATOM 5866 HB2 GLN A 396 160.042 159.451 194.996 1.00 77.98 H +ATOM 5867 HB3 GLN A 396 160.117 157.937 195.467 1.00 77.98 H +ATOM 5868 HG2 GLN A 396 158.905 157.368 193.804 1.00 82.52 H +ATOM 5869 HG3 GLN A 396 157.727 158.287 194.345 1.00 82.52 H +ATOM 5870 HE21 GLN A 396 156.949 159.264 192.539 1.00 84.13 H +ATOM 5871 HE22 GLN A 396 157.751 160.066 191.574 1.00 84.13 H +ATOM 5872 N ILE A 397 159.227 158.557 198.840 1.00 61.97 N +ATOM 5873 CA ILE A 397 160.069 158.448 200.029 1.00 70.51 C +ATOM 5874 C ILE A 397 160.613 157.030 200.128 1.00 72.69 C +ATOM 5875 O ILE A 397 159.848 156.077 200.262 1.00 69.18 O +ATOM 5876 CB ILE A 397 159.307 158.776 201.327 1.00 70.28 C +ATOM 5877 CG1 ILE A 397 158.268 159.879 201.097 1.00 62.37 C +ATOM 5878 CG2 ILE A 397 160.292 159.161 202.426 1.00 55.57 C +ATOM 5879 CD1 ILE A 397 158.845 161.177 200.605 1.00 88.86 C +ATOM 5880 H ILE A 397 158.439 158.228 198.943 1.00 74.36 H +ATOM 5881 HA ILE A 397 160.818 159.060 199.950 1.00 84.61 H +ATOM 5882 HB ILE A 397 158.838 157.976 201.611 1.00 84.34 H +ATOM 5883 HG12 ILE A 397 157.629 159.571 200.436 1.00 74.85 H +ATOM 5884 HG13 ILE A 397 157.813 160.057 201.935 1.00 74.85 H +ATOM 5885 HG21 ILE A 397 159.797 159.365 203.235 1.00 66.68 H +ATOM 5886 HG22 ILE A 397 160.895 158.418 202.584 1.00 66.68 H +ATOM 5887 HG23 ILE A 397 160.794 159.941 202.140 1.00 66.68 H +ATOM 5888 HD11 ILE A 397 158.125 161.817 200.486 1.00106.63 H +ATOM 5889 HD12 ILE A 397 159.478 161.510 201.261 1.00106.63 H +ATOM 5890 HD13 ILE A 397 159.294 161.023 199.760 1.00106.63 H +ATOM 5891 N HIS A 398 161.934 156.898 200.067 1.00 75.64 N +ATOM 5892 CA HIS A 398 162.575 155.590 200.089 1.00 74.87 C +ATOM 5893 C HIS A 398 162.058 154.762 198.905 1.00 79.31 C +ATOM 5894 O HIS A 398 162.044 155.248 197.775 1.00 78.31 O +ATOM 5895 CB HIS A 398 162.323 154.893 201.431 1.00 68.03 C +ATOM 5896 CG HIS A 398 163.341 153.851 201.774 1.00 78.34 C +ATOM 5897 ND1 HIS A 398 164.695 154.053 201.616 1.00 77.04 N +ATOM 5898 CD2 HIS A 398 163.205 152.601 202.277 1.00 70.45 C +ATOM 5899 CE1 HIS A 398 165.349 152.972 202.001 1.00 80.52 C +ATOM 5900 NE2 HIS A 398 164.468 152.076 202.407 1.00 79.01 N +ATOM 5901 H HIS A 398 162.484 157.556 200.012 1.00 90.76 H +ATOM 5902 HA HIS A 398 163.533 155.704 199.984 1.00 89.85 H +ATOM 5903 HB2 HIS A 398 162.332 155.560 202.136 1.00 81.64 H +ATOM 5904 HB3 HIS A 398 161.455 154.461 201.399 1.00 81.64 H +ATOM 5905 HD1 HIS A 398 165.058 154.771 201.311 1.00 92.45 H +ATOM 5906 HD2 HIS A 398 162.406 152.176 202.492 1.00 84.54 H +ATOM 5907 HE1 HIS A 398 166.272 152.861 201.989 1.00 96.62 H +ATOM 5908 N ASP A 399 161.629 153.528 199.154 1.00 75.81 N +ATOM 5909 CA ASP A 399 161.113 152.665 198.094 1.00 69.16 C +ATOM 5910 C ASP A 399 159.583 152.687 198.032 1.00 68.96 C +ATOM 5911 O ASP A 399 158.958 151.700 197.640 1.00 81.51 O +ATOM 5912 CB ASP A 399 161.604 151.229 198.295 1.00 70.95 C +ATOM 5913 CG ASP A 399 161.319 150.704 199.691 1.00 93.33 C +ATOM 5914 OD1 ASP A 399 160.663 151.420 200.476 1.00 84.47 O +ATOM 5915 OD2 ASP A 399 161.748 149.572 200.000 1.00 93.66 O +ATOM 5916 H ASP A 399 161.626 153.165 199.934 1.00 90.97 H +ATOM 5917 HA ASP A 399 161.450 152.979 197.241 1.00 82.99 H +ATOM 5918 HB2 ASP A 399 161.157 150.650 197.659 1.00 85.14 H +ATOM 5919 HB3 ASP A 399 162.563 151.200 198.154 1.00 85.14 H +ATOM 5920 N GLN A 400 158.987 153.813 198.419 1.00 76.95 N +ATOM 5921 CA GLN A 400 157.533 153.959 198.415 1.00 61.32 C +ATOM 5922 C GLN A 400 157.084 155.160 197.596 1.00 49.80 C +ATOM 5923 O GLN A 400 157.759 156.181 197.564 1.00 55.67 O +ATOM 5924 CB GLN A 400 157.001 154.096 199.841 1.00 53.95 C +ATOM 5925 CG GLN A 400 157.292 152.900 200.726 1.00 62.46 C +ATOM 5926 CD GLN A 400 156.127 152.552 201.629 1.00 63.76 C +ATOM 5927 OE1 GLN A 400 155.020 152.286 201.158 1.00 69.60 O +ATOM 5928 NE2 GLN A 400 156.368 152.557 202.934 1.00 64.72 N +ATOM 5929 H GLN A 400 159.406 154.513 198.690 1.00 92.34 H +ATOM 5930 HA GLN A 400 157.137 153.164 198.023 1.00 73.59 H +ATOM 5931 HB2 GLN A 400 157.408 154.875 200.252 1.00 64.75 H +ATOM 5932 HB3 GLN A 400 156.038 154.210 199.805 1.00 64.75 H +ATOM 5933 HG2 GLN A 400 157.480 152.130 200.167 1.00 74.96 H +ATOM 5934 HG3 GLN A 400 158.059 153.099 201.286 1.00 74.96 H +ATOM 5935 HE21 GLN A 400 157.153 152.750 203.226 1.00 77.67 H +ATOM 5936 HE22 GLN A 400 155.739 152.366 203.488 1.00 77.67 H +ATOM 5937 N LYS A 401 155.941 155.016 196.933 1.00 51.62 N +ATOM 5938 CA LYS A 401 155.289 156.116 196.232 1.00 60.37 C +ATOM 5939 C LYS A 401 154.053 156.553 197.010 1.00 69.26 C +ATOM 5940 O LYS A 401 153.342 155.720 197.571 1.00 60.90 O +ATOM 5941 CB LYS A 401 154.894 155.707 194.810 1.00 56.97 C +ATOM 5942 CG LYS A 401 156.021 155.756 193.788 1.00 64.51 C +ATOM 5943 CD LYS A 401 155.586 155.114 192.476 1.00 77.16 C +ATOM 5944 CE LYS A 401 156.591 155.347 191.357 1.00 82.72 C +ATOM 5945 NZ LYS A 401 156.495 156.718 190.782 1.00 81.57 N +ATOM 5946 H LYS A 401 155.514 154.272 196.874 1.00 61.94 H +ATOM 5947 HA LYS A 401 155.899 156.869 196.177 1.00 72.44 H +ATOM 5948 HB2 LYS A 401 154.559 154.797 194.833 1.00 68.36 H +ATOM 5949 HB3 LYS A 401 154.194 156.303 194.501 1.00 68.36 H +ATOM 5950 HG2 LYS A 401 156.258 156.681 193.613 1.00 77.42 H +ATOM 5951 HG3 LYS A 401 156.787 155.269 194.129 1.00 77.42 H +ATOM 5952 HD2 LYS A 401 155.496 154.156 192.606 1.00 92.59 H +ATOM 5953 HD3 LYS A 401 154.736 155.494 192.202 1.00 92.59 H +ATOM 5954 HE2 LYS A 401 157.488 155.229 191.707 1.00 99.26 H +ATOM 5955 HE3 LYS A 401 156.425 154.709 190.644 1.00 99.26 H +ATOM 5956 HZ1 LYS A 401 157.095 156.818 190.133 1.00 97.88 H +ATOM 5957 HZ2 LYS A 401 155.681 156.851 190.447 1.00 97.88 H +ATOM 5958 HZ3 LYS A 401 156.649 157.324 191.415 1.00 97.88 H +ATOM 5959 N TYR A 402 153.810 157.859 197.051 1.00 68.97 N +ATOM 5960 CA TYR A 402 152.614 158.405 197.683 1.00 61.52 C +ATOM 5961 C TYR A 402 151.923 159.391 196.757 1.00 58.71 C +ATOM 5962 O TYR A 402 152.540 160.347 196.290 1.00 56.44 O +ATOM 5963 CB TYR A 402 152.955 159.109 198.998 1.00 67.10 C +ATOM 5964 CG TYR A 402 153.558 158.221 200.059 1.00 65.20 C +ATOM 5965 CD1 TYR A 402 152.766 157.344 200.788 1.00 75.85 C +ATOM 5966 CD2 TYR A 402 154.914 158.275 200.347 1.00 64.50 C +ATOM 5967 CE1 TYR A 402 153.311 156.537 201.764 1.00 63.78 C +ATOM 5968 CE2 TYR A 402 155.467 157.472 201.322 1.00 62.78 C +ATOM 5969 CZ TYR A 402 154.659 156.607 202.026 1.00 64.89 C +ATOM 5970 OH TYR A 402 155.199 155.803 202.999 1.00 64.48 O +ATOM 5971 H TYR A 402 154.330 158.457 196.716 1.00 82.77 H +ATOM 5972 HA TYR A 402 151.996 157.682 197.876 1.00 73.83 H +ATOM 5973 HB2 TYR A 402 153.592 159.817 198.813 1.00 80.52 H +ATOM 5974 HB3 TYR A 402 152.142 159.491 199.364 1.00 80.52 H +ATOM 5975 HD1 TYR A 402 151.854 157.296 200.611 1.00 91.02 H +ATOM 5976 HD2 TYR A 402 155.460 158.859 199.872 1.00 77.40 H +ATOM 5977 HE1 TYR A 402 152.770 155.951 202.243 1.00 76.53 H +ATOM 5978 HE2 TYR A 402 156.378 157.515 201.503 1.00 75.33 H +ATOM 5979 HH TYR A 402 156.025 155.942 203.060 1.00 77.37 H +ATOM 5980 N ASN A 403 150.642 159.161 196.492 1.00 61.38 N +ATOM 5981 CA ASN A 403 149.834 160.153 195.800 1.00 59.15 C +ATOM 5982 C ASN A 403 149.440 161.240 196.791 1.00 59.52 C +ATOM 5983 O ASN A 403 149.778 161.162 197.971 1.00 55.11 O +ATOM 5984 CB ASN A 403 148.595 159.519 195.164 1.00 65.86 C +ATOM 5985 CG ASN A 403 147.719 158.803 196.170 1.00 69.36 C +ATOM 5986 OD1 ASN A 403 147.122 159.426 197.045 1.00 68.85 O +ATOM 5987 ND2 ASN A 403 147.625 157.484 196.038 1.00 67.84 N +ATOM 5988 H ASN A 403 150.219 158.442 196.702 1.00 73.65 H +ATOM 5989 HA ASN A 403 150.362 160.560 195.096 1.00 70.98 H +ATOM 5990 HB2 ASN A 403 148.063 160.215 194.746 1.00 79.03 H +ATOM 5991 HB3 ASN A 403 148.877 158.873 194.498 1.00 79.03 H +ATOM 5992 HD21 ASN A 403 147.140 157.031 196.585 1.00 81.41 H +ATOM 5993 HD22 ASN A 403 148.049 157.084 195.406 1.00 81.41 H +ATOM 5994 N TYR A 404 148.721 162.249 196.317 1.00 55.81 N +ATOM 5995 CA TYR A 404 148.408 163.409 197.141 1.00 62.43 C +ATOM 5996 C TYR A 404 147.429 163.098 198.271 1.00 57.45 C +ATOM 5997 O TYR A 404 147.528 163.681 199.352 1.00 50.91 O +ATOM 5998 CB TYR A 404 147.857 164.532 196.264 1.00 60.10 C +ATOM 5999 CG TYR A 404 148.938 165.236 195.486 1.00 61.99 C +ATOM 6000 CD1 TYR A 404 149.530 164.631 194.388 1.00 64.56 C +ATOM 6001 CD2 TYR A 404 149.383 166.495 195.861 1.00 62.96 C +ATOM 6002 CE1 TYR A 404 150.524 165.263 193.680 1.00 60.88 C +ATOM 6003 CE2 TYR A 404 150.378 167.136 195.156 1.00 64.93 C +ATOM 6004 CZ TYR A 404 150.944 166.513 194.067 1.00 69.39 C +ATOM 6005 OH TYR A 404 151.935 167.141 193.357 1.00 70.76 O +ATOM 6006 H TYR A 404 148.402 162.287 195.519 1.00 66.97 H +ATOM 6007 HA TYR A 404 149.229 163.730 197.546 1.00 74.91 H +ATOM 6008 HB2 TYR A 404 147.225 164.158 195.631 1.00 72.12 H +ATOM 6009 HB3 TYR A 404 147.417 165.187 196.828 1.00 72.12 H +ATOM 6010 HD1 TYR A 404 149.248 163.785 194.124 1.00 77.47 H +ATOM 6011 HD2 TYR A 404 149.000 166.916 196.597 1.00 75.55 H +ATOM 6012 HE1 TYR A 404 150.910 164.847 192.942 1.00 73.06 H +ATOM 6013 HE2 TYR A 404 150.666 167.982 195.414 1.00 77.92 H +ATOM 6014 HH TYR A 404 152.187 166.653 192.723 1.00 84.91 H +ATOM 6015 N GLN A 405 146.493 162.188 198.026 1.00 62.59 N +ATOM 6016 CA GLN A 405 145.533 161.793 199.053 1.00 61.26 C +ATOM 6017 C GLN A 405 146.246 161.160 200.243 1.00 59.93 C +ATOM 6018 O GLN A 405 145.857 161.368 201.391 1.00 48.48 O +ATOM 6019 CB GLN A 405 144.498 160.819 198.486 1.00 66.12 C +ATOM 6020 CG GLN A 405 143.546 161.440 197.481 1.00 81.46 C +ATOM 6021 CD GLN A 405 142.520 160.451 196.965 1.00 83.49 C +ATOM 6022 OE1 GLN A 405 142.868 159.400 196.426 1.00 66.55 O +ATOM 6023 NE2 GLN A 405 141.244 160.780 197.132 1.00 91.71 N +ATOM 6024 H GLN A 405 146.392 161.783 197.274 1.00 75.11 H +ATOM 6025 HA GLN A 405 145.064 162.582 199.368 1.00 73.51 H +ATOM 6026 HB2 GLN A 405 144.964 160.094 198.043 1.00 79.35 H +ATOM 6027 HB3 GLN A 405 143.967 160.469 199.218 1.00 79.35 H +ATOM 6028 HG2 GLN A 405 143.071 162.172 197.905 1.00 97.75 H +ATOM 6029 HG3 GLN A 405 144.055 161.768 196.723 1.00 97.75 H +ATOM 6030 HE21 GLN A 405 141.038 161.522 197.517 1.00110.06 H +ATOM 6031 HE22 GLN A 405 140.624 160.252 196.857 1.00110.06 H +ATOM 6032 N GLN A 406 147.292 160.393 199.957 1.00 58.79 N +ATOM 6033 CA GLN A 406 148.055 159.708 200.993 1.00 61.38 C +ATOM 6034 C GLN A 406 149.043 160.635 201.698 1.00 66.31 C +ATOM 6035 O GLN A 406 149.357 160.445 202.873 1.00 55.81 O +ATOM 6036 CB GLN A 406 148.821 158.529 200.393 1.00 64.18 C +ATOM 6037 CG GLN A 406 147.954 157.475 199.736 1.00 59.29 C +ATOM 6038 CD GLN A 406 148.773 156.440 198.993 1.00 64.61 C +ATOM 6039 OE1 GLN A 406 149.149 156.641 197.839 1.00 68.79 O +ATOM 6040 NE2 GLN A 406 149.062 155.327 199.656 1.00 79.59 N +ATOM 6041 H GLN A 406 147.584 160.252 199.160 1.00 70.55 H +ATOM 6042 HA GLN A 406 147.442 159.361 201.660 1.00 73.66 H +ATOM 6043 HB2 GLN A 406 149.432 158.867 199.719 1.00 77.02 H +ATOM 6044 HB3 GLN A 406 149.324 158.095 201.100 1.00 77.02 H +ATOM 6045 HG2 GLN A 406 147.437 157.019 200.418 1.00 71.15 H +ATOM 6046 HG3 GLN A 406 147.361 157.904 199.099 1.00 71.15 H +ATOM 6047 HE21 GLN A 406 148.786 155.224 200.464 1.00 95.51 H +ATOM 6048 HE22 GLN A 406 149.524 154.709 199.278 1.00 95.51 H +ATOM 6049 N PHE A 407 149.530 161.633 200.970 1.00 62.42 N +ATOM 6050 CA PHE A 407 150.666 162.428 201.416 1.00 56.75 C +ATOM 6051 C PHE A 407 150.255 163.626 202.269 1.00 46.96 C +ATOM 6052 O PHE A 407 150.936 163.969 203.232 1.00 44.68 O +ATOM 6053 CB PHE A 407 151.463 162.904 200.198 1.00 59.24 C +ATOM 6054 CG PHE A 407 152.806 163.488 200.536 1.00 52.10 C +ATOM 6055 CD1 PHE A 407 153.808 162.693 201.065 1.00 46.70 C +ATOM 6056 CD2 PHE A 407 153.071 164.827 200.304 1.00 52.00 C +ATOM 6057 CE1 PHE A 407 155.043 163.225 201.368 1.00 49.44 C +ATOM 6058 CE2 PHE A 407 154.308 165.363 200.604 1.00 49.18 C +ATOM 6059 CZ PHE A 407 155.293 164.561 201.137 1.00 52.45 C +ATOM 6060 H PHE A 407 149.216 161.872 200.206 1.00 74.91 H +ATOM 6061 HA PHE A 407 151.248 161.868 201.952 1.00 68.10 H +ATOM 6062 HB2 PHE A 407 151.610 162.149 199.607 1.00 71.09 H +ATOM 6063 HB3 PHE A 407 150.951 163.587 199.737 1.00 71.09 H +ATOM 6064 HD1 PHE A 407 153.644 161.791 201.223 1.00 56.04 H +ATOM 6065 HD2 PHE A 407 152.409 165.372 199.945 1.00 62.40 H +ATOM 6066 HE1 PHE A 407 155.708 162.683 201.727 1.00 59.33 H +ATOM 6067 HE2 PHE A 407 154.475 166.264 200.449 1.00 59.02 H +ATOM 6068 HZ PHE A 407 156.126 164.921 201.341 1.00 62.94 H +ATOM 6069 N ILE A 408 149.138 164.254 201.922 1.00 51.19 N +ATOM 6070 CA ILE A 408 148.720 165.488 202.580 1.00 48.61 C +ATOM 6071 C ILE A 408 148.157 165.227 203.981 1.00 53.19 C +ATOM 6072 O ILE A 408 147.380 164.298 204.193 1.00 59.82 O +ATOM 6073 CB ILE A 408 147.685 166.238 201.707 1.00 44.86 C +ATOM 6074 CG1 ILE A 408 148.387 166.776 200.454 1.00 49.07 C +ATOM 6075 CG2 ILE A 408 147.022 167.372 202.479 1.00 54.42 C +ATOM 6076 CD1 ILE A 408 147.506 167.580 199.518 1.00 52.80 C +ATOM 6077 H ILE A 408 148.602 163.985 201.305 1.00 61.43 H +ATOM 6078 HA ILE A 408 149.494 166.064 202.677 1.00 58.33 H +ATOM 6079 HB ILE A 408 146.999 165.609 201.431 1.00 53.83 H +ATOM 6080 HG12 ILE A 408 149.117 167.349 200.733 1.00 58.88 H +ATOM 6081 HG13 ILE A 408 148.737 166.024 199.951 1.00 58.88 H +ATOM 6082 HG21 ILE A 408 146.382 167.816 201.900 1.00 65.30 H +ATOM 6083 HG22 ILE A 408 146.568 167.004 203.253 1.00 65.30 H +ATOM 6084 HG23 ILE A 408 147.704 168.001 202.763 1.00 65.30 H +ATOM 6085 HD11 ILE A 408 148.037 167.875 198.762 1.00 63.36 H +ATOM 6086 HD12 ILE A 408 146.776 167.020 199.213 1.00 63.36 H +ATOM 6087 HD13 ILE A 408 147.157 168.348 199.997 1.00 63.36 H +ATOM 6088 N TYR A 409 148.575 166.066 204.928 1.00 58.46 N +ATOM 6089 CA TYR A 409 148.168 165.979 206.335 1.00 51.15 C +ATOM 6090 C TYR A 409 148.571 164.657 206.988 1.00 50.43 C +ATOM 6091 O TYR A 409 148.057 164.302 208.048 1.00 61.44 O +ATOM 6092 CB TYR A 409 146.655 166.190 206.475 1.00 51.65 C +ATOM 6093 CG TYR A 409 146.231 167.631 206.328 1.00 57.13 C +ATOM 6094 CD1 TYR A 409 146.728 168.608 207.178 1.00 58.89 C +ATOM 6095 CD2 TYR A 409 145.326 168.011 205.350 1.00 59.25 C +ATOM 6096 CE1 TYR A 409 146.346 169.926 207.050 1.00 57.84 C +ATOM 6097 CE2 TYR A 409 144.938 169.328 205.213 1.00 65.30 C +ATOM 6098 CZ TYR A 409 145.451 170.281 206.067 1.00 62.63 C +ATOM 6099 OH TYR A 409 145.066 171.593 205.937 1.00 64.46 O +ATOM 6100 H TYR A 409 149.115 166.718 204.776 1.00 70.16 H +ATOM 6101 HA TYR A 409 148.608 166.691 206.825 1.00 61.38 H +ATOM 6102 HB2 TYR A 409 146.202 165.675 205.789 1.00 61.99 H +ATOM 6103 HB3 TYR A 409 146.376 165.886 207.353 1.00 61.99 H +ATOM 6104 HD1 TYR A 409 147.336 168.370 207.841 1.00 70.66 H +ATOM 6105 HD2 TYR A 409 144.981 167.370 204.771 1.00 71.10 H +ATOM 6106 HE1 TYR A 409 146.691 170.571 207.625 1.00 69.41 H +ATOM 6107 HE2 TYR A 409 144.332 169.570 204.550 1.00 78.36 H +ATOM 6108 HH TYR A 409 144.520 171.671 205.303 1.00 77.36 H +ATOM 6109 N ASN A 410 149.514 163.952 206.371 1.00 52.69 N +ATOM 6110 CA ASN A 410 149.945 162.649 206.860 1.00 62.97 C +ATOM 6111 C ASN A 410 151.337 162.691 207.499 1.00 56.12 C +ATOM 6112 O ASN A 410 152.335 162.360 206.859 1.00 51.68 O +ATOM 6113 CB ASN A 410 149.920 161.633 205.714 1.00 64.46 C +ATOM 6114 CG ASN A 410 149.886 160.207 206.210 1.00 53.14 C +ATOM 6115 OD1 ASN A 410 150.332 159.919 207.313 1.00 54.29 O +ATOM 6116 ND2 ASN A 410 149.353 159.304 205.398 1.00 68.77 N +ATOM 6117 H ASN A 410 149.923 164.210 205.659 1.00 63.23 H +ATOM 6118 HA ASN A 410 149.319 162.348 207.537 1.00 75.56 H +ATOM 6119 HB2 ASN A 410 149.128 161.784 205.175 1.00 77.35 H +ATOM 6120 HB3 ASN A 410 150.718 161.745 205.174 1.00 77.35 H +ATOM 6121 HD21 ASN A 410 149.044 159.531 204.629 1.00 82.52 H +ATOM 6122 N ASN A 411 151.400 163.091 208.766 1.00 56.41 N +ATOM 6123 CA ASN A 411 152.670 163.140 209.487 1.00 55.93 C +ATOM 6124 C ASN A 411 153.147 161.755 209.913 1.00 52.62 C +ATOM 6125 O ASN A 411 154.275 161.602 210.382 1.00 43.88 O +ATOM 6126 CB ASN A 411 152.558 164.042 210.718 1.00 61.67 C +ATOM 6127 CG ASN A 411 152.507 165.518 210.363 1.00 51.38 C +ATOM 6128 OD1 ASN A 411 153.014 165.941 209.323 1.00 44.76 O +ATOM 6129 ND2 ASN A 411 151.900 166.311 211.237 1.00 52.62 N +ATOM 6130 H ASN A 411 150.721 163.340 209.232 1.00 67.69 H +ATOM 6131 HA ASN A 411 153.345 163.519 208.902 1.00 67.11 H +ATOM 6132 HB2 ASN A 411 151.745 163.821 211.199 1.00 74.01 H +ATOM 6133 HB3 ASN A 411 153.330 163.897 211.287 1.00 74.01 H +ATOM 6134 HD21 ASN A 411 151.843 167.156 211.084 1.00 63.15 H +ATOM 6135 HD22 ASN A 411 151.562 165.981 211.956 1.00 63.15 H +ATOM 6136 N SER A 412 152.293 160.749 209.757 1.00 50.72 N +ATOM 6137 CA SER A 412 152.692 159.374 210.030 1.00 56.12 C +ATOM 6138 C SER A 412 153.786 158.949 209.054 1.00 50.39 C +ATOM 6139 O SER A 412 154.635 158.120 209.381 1.00 45.81 O +ATOM 6140 CB SER A 412 151.496 158.425 209.935 1.00 46.60 C +ATOM 6141 OG SER A 412 151.913 157.074 210.009 1.00 56.85 O +ATOM 6142 H SER A 412 151.478 160.836 209.495 1.00 60.87 H +ATOM 6143 HA SER A 412 153.051 159.319 210.929 1.00 67.34 H +ATOM 6144 HB2 SER A 412 150.890 158.608 210.670 1.00 55.92 H +ATOM 6145 HB3 SER A 412 151.044 158.570 209.089 1.00 55.92 H +ATOM 6146 HG SER A 412 152.439 156.901 209.377 1.00 68.23 H +ATOM 6147 N ILE A 413 153.760 159.523 207.855 1.00 42.70 N +ATOM 6148 CA ILE A 413 154.792 159.256 206.866 1.00 43.39 C +ATOM 6149 C ILE A 413 156.126 159.790 207.369 1.00 45.95 C +ATOM 6150 O ILE A 413 157.173 159.186 207.137 1.00 47.32 O +ATOM 6151 CB ILE A 413 154.452 159.891 205.498 1.00 45.09 C +ATOM 6152 CG1 ILE A 413 153.163 159.276 204.942 1.00 52.02 C +ATOM 6153 CG2 ILE A 413 155.605 159.697 204.509 1.00 52.97 C +ATOM 6154 CD1 ILE A 413 152.708 159.849 203.609 1.00 47.78 C +ATOM 6155 H ILE A 413 153.152 160.072 207.591 1.00 51.24 H +ATOM 6156 HA ILE A 413 154.875 158.298 206.742 1.00 52.07 H +ATOM 6157 HB ILE A 413 154.311 160.842 205.625 1.00 54.10 H +ATOM 6158 HG12 ILE A 413 153.302 158.324 204.820 1.00 62.43 H +ATOM 6159 HG13 ILE A 413 152.449 159.422 205.583 1.00 62.43 H +ATOM 6160 HG21 ILE A 413 155.366 160.104 203.662 1.00 63.56 H +ATOM 6161 HG22 ILE A 413 156.402 160.119 204.866 1.00 63.56 H +ATOM 6162 HG23 ILE A 413 155.760 158.747 204.388 1.00 63.56 H +ATOM 6163 HD11 ILE A 413 151.891 159.403 203.337 1.00 57.34 H +ATOM 6164 HD12 ILE A 413 152.548 160.800 203.713 1.00 57.34 H +ATOM 6165 HD13 ILE A 413 153.403 159.700 202.949 1.00 57.34 H +ATOM 6166 N LEU A 414 156.082 160.920 208.066 1.00 47.72 N +ATOM 6167 CA LEU A 414 157.296 161.552 208.564 1.00 43.35 C +ATOM 6168 C LEU A 414 157.960 160.711 209.649 1.00 40.23 C +ATOM 6169 O LEU A 414 159.177 160.538 209.648 1.00 40.45 O +ATOM 6170 CB LEU A 414 156.989 162.953 209.100 1.00 53.10 C +ATOM 6171 CG LEU A 414 158.210 163.816 209.433 1.00 48.38 C +ATOM 6172 CD1 LEU A 414 159.024 164.112 208.182 1.00 53.26 C +ATOM 6173 CD2 LEU A 414 157.788 165.108 210.113 1.00 54.17 C +ATOM 6174 H LEU A 414 155.359 161.341 208.265 1.00 57.26 H +ATOM 6175 HA LEU A 414 157.926 161.644 207.831 1.00 52.03 H +ATOM 6176 HB2 LEU A 414 156.470 163.430 208.433 1.00 63.72 H +ATOM 6177 HB3 LEU A 414 156.467 162.863 209.912 1.00 63.72 H +ATOM 6178 HG LEU A 414 158.779 163.328 210.049 1.00 58.06 H +ATOM 6179 HD11 LEU A 414 159.788 164.658 208.424 1.00 63.91 H +ATOM 6180 HD12 LEU A 414 159.325 163.274 207.796 1.00 63.91 H +ATOM 6181 HD13 LEU A 414 158.465 164.587 207.547 1.00 63.91 H +ATOM 6182 HD21 LEU A 414 158.580 165.633 210.312 1.00 65.01 H +ATOM 6183 HD22 LEU A 414 157.205 165.602 209.516 1.00 65.01 H +ATOM 6184 HD23 LEU A 414 157.318 164.894 210.934 1.00 65.01 H +ATOM 6185 N LEU A 415 157.164 160.190 210.579 1.00 44.38 N +ATOM 6186 CA LEU A 415 157.697 159.359 211.654 1.00 43.69 C +ATOM 6187 C LEU A 415 158.115 157.987 211.140 1.00 41.72 C +ATOM 6188 O LEU A 415 159.084 157.408 211.624 1.00 45.73 O +ATOM 6189 CB LEU A 415 156.672 159.191 212.775 1.00 38.60 C +ATOM 6190 CG LEU A 415 156.200 160.451 213.501 1.00 44.26 C +ATOM 6191 CD1 LEU A 415 155.294 160.058 214.653 1.00 40.06 C +ATOM 6192 CD2 LEU A 415 157.373 161.281 213.998 1.00 45.93 C +ATOM 6193 H LEU A 415 156.312 160.303 210.609 1.00 53.25 H +ATOM 6194 HA LEU A 415 158.482 159.791 212.027 1.00 52.43 H +ATOM 6195 HB2 LEU A 415 155.884 158.769 212.399 1.00 46.32 H +ATOM 6196 HB3 LEU A 415 157.056 158.605 213.446 1.00 46.32 H +ATOM 6197 HG LEU A 415 155.685 160.996 212.886 1.00 53.11 H +ATOM 6198 HD11 LEU A 415 154.998 160.862 215.109 1.00 48.08 H +ATOM 6199 HD12 LEU A 415 154.529 159.576 214.302 1.00 48.08 H +ATOM 6200 HD13 LEU A 415 155.789 159.493 215.266 1.00 48.08 H +ATOM 6201 HD21 LEU A 415 157.032 162.068 214.452 1.00 55.12 H +ATOM 6202 HD22 LEU A 415 157.899 160.747 214.613 1.00 55.12 H +ATOM 6203 HD23 LEU A 415 157.916 161.545 213.240 1.00 55.12 H +ATOM 6204 N GLU A 416 157.374 157.474 210.164 1.00 41.46 N +ATOM 6205 CA GLU A 416 157.654 156.162 209.592 1.00 49.76 C +ATOM 6206 C GLU A 416 159.052 156.103 208.983 1.00 51.86 C +ATOM 6207 O GLU A 416 159.810 155.170 209.243 1.00 59.64 O +ATOM 6208 CB GLU A 416 156.606 155.812 208.531 1.00 54.63 C +ATOM 6209 CG GLU A 416 156.835 154.474 207.839 1.00 72.10 C +ATOM 6210 CD GLU A 416 155.830 154.203 206.737 1.00 82.72 C +ATOM 6211 OE1 GLU A 416 154.941 155.052 206.516 1.00 84.49 O +ATOM 6212 OE2 GLU A 416 155.930 153.140 206.090 1.00 87.96 O +ATOM 6213 H GLU A 416 156.696 157.870 209.812 1.00 49.75 H +ATOM 6214 HA GLU A 416 157.604 155.494 210.295 1.00 59.72 H +ATOM 6215 HB2 GLU A 416 155.734 155.780 208.954 1.00 65.56 H +ATOM 6216 HB3 GLU A 416 156.613 156.502 207.849 1.00 65.56 H +ATOM 6217 HG2 GLU A 416 157.721 154.470 207.444 1.00 86.52 H +ATOM 6218 HG3 GLU A 416 156.760 153.763 208.494 1.00 86.52 H +ATOM 6219 N HIS A 417 159.391 157.106 208.178 1.00 50.05 N +ATOM 6220 CA HIS A 417 160.660 157.119 207.456 1.00 47.06 C +ATOM 6221 C HIS A 417 161.754 157.889 208.193 1.00 46.53 C +ATOM 6222 O HIS A 417 162.935 157.565 208.073 1.00 50.27 O +ATOM 6223 CB HIS A 417 160.460 157.715 206.064 1.00 53.62 C +ATOM 6224 CG HIS A 417 159.618 156.866 205.165 1.00 59.82 C +ATOM 6225 ND1 HIS A 417 160.147 155.867 204.377 1.00 67.95 N +ATOM 6226 CD2 HIS A 417 158.284 156.860 204.935 1.00 58.08 C +ATOM 6227 CE1 HIS A 417 159.176 155.286 203.697 1.00 61.29 C +ATOM 6228 NE2 HIS A 417 158.036 155.868 204.019 1.00 58.52 N +ATOM 6229 H HIS A 417 158.900 157.796 208.032 1.00 60.06 H +ATOM 6230 HA HIS A 417 160.965 156.205 207.346 1.00 56.48 H +ATOM 6231 HB2 HIS A 417 160.024 158.577 206.152 1.00 64.35 H +ATOM 6232 HB3 HIS A 417 161.326 157.825 205.642 1.00 64.35 H +ATOM 6233 HD1 HIS A 417 160.980 155.657 204.333 1.00 81.54 H +ATOM 6234 HD2 HIS A 417 157.654 157.423 205.324 1.00 69.70 H +ATOM 6235 HE1 HIS A 417 159.277 154.584 203.095 1.00 73.54 H +ATOM 6236 N GLY A 418 161.359 158.906 208.951 1.00 45.52 N +ATOM 6237 CA GLY A 418 162.313 159.735 209.666 1.00 49.45 C +ATOM 6238 C GLY A 418 162.873 160.828 208.774 1.00 47.44 C +ATOM 6239 O GLY A 418 162.733 160.772 207.552 1.00 39.53 O +ATOM 6240 H GLY A 418 160.539 159.136 209.067 1.00 54.62 H +ATOM 6241 HA2 GLY A 418 161.879 160.148 210.429 1.00 59.34 H +ATOM 6242 HA3 GLY A 418 163.047 159.187 209.985 1.00 59.34 H +ATOM 6243 N ILE A 419 163.508 161.823 209.384 1.00 48.87 N +ATOM 6244 CA ILE A 419 164.005 162.983 208.649 1.00 41.52 C +ATOM 6245 C ILE A 419 165.139 162.596 207.703 1.00 43.75 C +ATOM 6246 O ILE A 419 165.184 163.065 206.568 1.00 43.21 O +ATOM 6247 CB ILE A 419 164.504 164.094 209.601 1.00 41.07 C +ATOM 6248 CG1 ILE A 419 163.390 164.534 210.564 1.00 45.34 C +ATOM 6249 CG2 ILE A 419 165.040 165.287 208.804 1.00 48.91 C +ATOM 6250 CD1 ILE A 419 162.347 165.457 209.965 1.00 42.36 C +ATOM 6251 H ILE A 419 163.666 161.851 210.229 1.00 58.65 H +ATOM 6252 HA ILE A 419 163.282 163.349 208.115 1.00 49.83 H +ATOM 6253 HB ILE A 419 165.233 163.732 210.129 1.00 49.28 H +ATOM 6254 HG12 ILE A 419 162.930 163.742 210.884 1.00 54.41 H +ATOM 6255 HG13 ILE A 419 163.796 164.998 211.312 1.00 54.41 H +ATOM 6256 HG21 ILE A 419 165.346 165.968 209.423 1.00 58.69 H +ATOM 6257 HG22 ILE A 419 165.777 164.989 208.248 1.00 58.69 H +ATOM 6258 HG23 ILE A 419 164.328 165.641 208.248 1.00 58.69 H +ATOM 6259 HD11 ILE A 419 161.692 165.677 210.646 1.00 50.83 H +ATOM 6260 HD12 ILE A 419 162.784 166.265 209.652 1.00 50.83 H +ATOM 6261 HD13 ILE A 419 161.915 165.006 209.223 1.00 50.83 H +ATOM 6262 N THR A 420 166.052 161.753 208.177 1.00 41.99 N +ATOM 6263 CA THR A 420 167.199 161.331 207.377 1.00 34.98 C +ATOM 6264 C THR A 420 166.757 160.795 206.022 1.00 42.85 C +ATOM 6265 O THR A 420 167.273 161.210 204.985 1.00 36.95 O +ATOM 6266 CB THR A 420 168.027 160.247 208.098 1.00 40.83 C +ATOM 6267 OG1 THR A 420 168.502 160.758 209.349 1.00 41.99 O +ATOM 6268 CG2 THR A 420 169.221 159.812 207.248 1.00 39.78 C +ATOM 6269 H THR A 420 166.031 161.409 208.965 1.00 50.39 H +ATOM 6270 HA THR A 420 167.775 162.096 207.223 1.00 41.98 H +ATOM 6271 HB THR A 420 167.469 159.471 208.260 1.00 48.99 H +ATOM 6272 HG1 THR A 420 168.986 161.433 209.219 1.00 50.38 H +ATOM 6273 HG21 THR A 420 169.731 159.132 207.715 1.00 47.73 H +ATOM 6274 HG22 THR A 420 168.912 159.450 206.403 1.00 47.73 H +ATOM 6275 HG23 THR A 420 169.798 160.573 207.072 1.00 47.73 H +ATOM 6276 N GLN A 421 165.796 159.877 206.035 1.00 48.12 N +ATOM 6277 CA GLN A 421 165.287 159.291 204.801 1.00 50.52 C +ATOM 6278 C GLN A 421 164.606 160.345 203.937 1.00 48.69 C +ATOM 6279 O GLN A 421 164.733 160.331 202.713 1.00 48.69 O +ATOM 6280 CB GLN A 421 164.309 158.156 205.103 1.00 51.41 C +ATOM 6281 CG GLN A 421 163.839 157.410 203.863 1.00 63.52 C +ATOM 6282 CD GLN A 421 164.947 156.601 203.223 1.00 72.15 C +ATOM 6283 OE1 GLN A 421 165.334 156.849 202.080 1.00 59.43 O +ATOM 6284 NE2 GLN A 421 165.466 155.624 203.959 1.00 73.61 N +ATOM 6285 H GLN A 421 165.420 159.576 206.748 1.00 57.74 H +ATOM 6286 HA GLN A 421 166.029 158.922 204.297 1.00 60.63 H +ATOM 6287 HB2 GLN A 421 164.743 157.515 205.688 1.00 61.69 H +ATOM 6288 HB3 GLN A 421 163.527 158.525 205.542 1.00 61.69 H +ATOM 6289 HG2 GLN A 421 163.125 156.801 204.110 1.00 76.23 H +ATOM 6290 HG3 GLN A 421 163.518 158.052 203.209 1.00 76.23 H +ATOM 6291 HE21 GLN A 421 165.170 155.480 204.753 1.00 88.33 H +ATOM 6292 HE22 GLN A 421 166.098 155.135 203.640 1.00 88.33 H +ATOM 6293 N PHE A 422 163.877 161.253 204.577 1.00 46.13 N +ATOM 6294 CA PHE A 422 163.199 162.327 203.861 1.00 46.69 C +ATOM 6295 C PHE A 422 164.197 163.163 203.072 1.00 37.67 C +ATOM 6296 O PHE A 422 163.975 163.467 201.903 1.00 39.33 O +ATOM 6297 CB PHE A 422 162.418 163.214 204.830 1.00 47.08 C +ATOM 6298 CG PHE A 422 160.938 162.980 204.801 1.00 48.18 C +ATOM 6299 CD1 PHE A 422 160.402 161.791 205.263 1.00 53.00 C +ATOM 6300 CD2 PHE A 422 160.081 163.951 204.315 1.00 59.29 C +ATOM 6301 CE1 PHE A 422 159.038 161.573 205.236 1.00 53.70 C +ATOM 6302 CE2 PHE A 422 158.718 163.740 204.288 1.00 71.06 C +ATOM 6303 CZ PHE A 422 158.195 162.550 204.749 1.00 55.47 C +ATOM 6304 H PHE A 422 163.760 161.270 205.429 1.00 55.36 H +ATOM 6305 HA PHE A 422 162.568 161.940 203.233 1.00 56.03 H +ATOM 6306 HB2 PHE A 422 162.729 163.040 205.732 1.00 56.50 H +ATOM 6307 HB3 PHE A 422 162.577 164.143 204.600 1.00 56.50 H +ATOM 6308 HD1 PHE A 422 160.967 161.129 205.592 1.00 63.60 H +ATOM 6309 HD2 PHE A 422 160.428 164.755 204.003 1.00 71.15 H +ATOM 6310 HE1 PHE A 422 158.689 160.770 205.549 1.00 64.44 H +ATOM 6311 HE2 PHE A 422 158.152 164.399 203.958 1.00 85.27 H +ATOM 6312 HZ PHE A 422 157.277 162.406 204.731 1.00 66.56 H +ATOM 6313 N VAL A 423 165.301 163.522 203.717 1.00 40.70 N +ATOM 6314 CA VAL A 423 166.352 164.288 203.062 1.00 46.93 C +ATOM 6315 C VAL A 423 166.935 163.487 201.904 1.00 43.44 C +ATOM 6316 O VAL A 423 167.059 163.995 200.791 1.00 38.80 O +ATOM 6317 CB VAL A 423 167.471 164.672 204.055 1.00 41.06 C +ATOM 6318 CG1 VAL A 423 168.631 165.357 203.337 1.00 35.51 C +ATOM 6319 CG2 VAL A 423 166.918 165.576 205.144 1.00 42.61 C +ATOM 6320 H VAL A 423 165.466 163.333 204.540 1.00 48.84 H +ATOM 6321 HA VAL A 423 165.973 165.105 202.703 1.00 56.32 H +ATOM 6322 HB VAL A 423 167.811 163.868 204.477 1.00 49.28 H +ATOM 6323 HG11 VAL A 423 169.314 165.584 203.987 1.00 42.61 H +ATOM 6324 HG12 VAL A 423 168.994 164.749 202.674 1.00 42.61 H +ATOM 6325 HG13 VAL A 423 168.304 166.161 202.905 1.00 42.61 H +ATOM 6326 HG21 VAL A 423 167.634 165.807 205.756 1.00 51.14 H +ATOM 6327 HG22 VAL A 423 166.561 166.380 204.735 1.00 51.14 H +ATOM 6328 HG23 VAL A 423 166.215 165.106 205.618 1.00 51.14 H +ATOM 6329 N GLU A 424 167.287 162.234 202.174 1.00 47.47 N +ATOM 6330 CA GLU A 424 167.859 161.356 201.157 1.00 46.94 C +ATOM 6331 C GLU A 424 166.938 161.218 199.947 1.00 46.54 C +ATOM 6332 O GLU A 424 167.399 161.176 198.807 1.00 54.35 O +ATOM 6333 CB GLU A 424 168.147 159.972 201.748 1.00 48.51 C +ATOM 6334 CG GLU A 424 169.292 159.950 202.752 1.00 50.04 C +ATOM 6335 CD GLU A 424 169.492 158.584 203.388 1.00 62.16 C +ATOM 6336 OE1 GLU A 424 168.698 157.663 203.099 1.00 57.16 O +ATOM 6337 OE2 GLU A 424 170.446 158.432 204.180 1.00 55.25 O +ATOM 6338 H GLU A 424 167.205 161.865 202.946 1.00 56.96 H +ATOM 6339 HA GLU A 424 168.700 161.732 200.852 1.00 56.33 H +ATOM 6340 HB2 GLU A 424 167.351 159.655 202.202 1.00 58.21 H +ATOM 6341 HB3 GLU A 424 168.376 159.367 201.026 1.00 58.21 H +ATOM 6342 HG2 GLU A 424 170.114 160.192 202.299 1.00 60.05 H +ATOM 6343 HG3 GLU A 424 169.103 160.585 203.460 1.00 60.05 H +ATOM 6344 N SER A 425 165.636 161.160 200.203 1.00 44.20 N +ATOM 6345 CA SER A 425 164.654 160.947 199.147 1.00 42.98 C +ATOM 6346 C SER A 425 164.357 162.225 198.360 1.00 43.00 C +ATOM 6347 O SER A 425 164.320 162.206 197.131 1.00 39.34 O +ATOM 6348 CB SER A 425 163.361 160.390 199.742 1.00 52.10 C +ATOM 6349 OG SER A 425 163.584 159.133 200.358 1.00 56.58 O +ATOM 6350 H SER A 425 165.293 161.241 200.987 1.00 53.04 H +ATOM 6351 HA SER A 425 165.002 160.290 198.525 1.00 51.57 H +ATOM 6352 HB2 SER A 425 163.027 161.012 200.408 1.00 62.52 H +ATOM 6353 HB3 SER A 425 162.709 160.283 199.033 1.00 62.52 H +ATOM 6354 HG SER A 425 164.147 159.211 200.975 1.00 67.90 H +ATOM 6355 N PHE A 426 164.139 163.328 199.069 1.00 44.63 N +ATOM 6356 CA PHE A 426 163.831 164.603 198.424 1.00 41.09 C +ATOM 6357 C PHE A 426 165.011 165.131 197.623 1.00 40.03 C +ATOM 6358 O PHE A 426 164.823 165.821 196.625 1.00 41.40 O +ATOM 6359 CB PHE A 426 163.410 165.652 199.459 1.00 44.41 C +ATOM 6360 CG PHE A 426 162.026 165.449 200.019 1.00 47.84 C +ATOM 6361 CD1 PHE A 426 161.234 164.387 199.613 1.00 55.40 C +ATOM 6362 CD2 PHE A 426 161.514 166.336 200.949 1.00 64.76 C +ATOM 6363 CE1 PHE A 426 159.966 164.211 200.129 1.00 55.93 C +ATOM 6364 CE2 PHE A 426 160.245 166.165 201.468 1.00 62.50 C +ATOM 6365 CZ PHE A 426 159.471 165.100 201.056 1.00 63.90 C +ATOM 6366 H PHE A 426 164.163 163.366 199.928 1.00 53.55 H +ATOM 6367 HA PHE A 426 163.089 164.473 197.812 1.00 49.31 H +ATOM 6368 HB2 PHE A 426 164.035 165.627 200.200 1.00 53.29 H +ATOM 6369 HB3 PHE A 426 163.433 166.528 199.041 1.00 53.29 H +ATOM 6370 HD1 PHE A 426 161.563 163.782 198.987 1.00 66.47 H +ATOM 6371 HD2 PHE A 426 162.032 167.056 201.231 1.00 77.71 H +ATOM 6372 HE1 PHE A 426 159.446 163.493 199.850 1.00 67.12 H +ATOM 6373 HE2 PHE A 426 159.913 166.767 202.095 1.00 75.00 H +ATOM 6374 HZ PHE A 426 158.617 164.983 201.405 1.00 76.68 H +ATOM 6375 N THR A 427 166.225 164.811 198.058 1.00 41.43 N +ATOM 6376 CA THR A 427 167.421 165.244 197.349 1.00 44.37 C +ATOM 6377 C THR A 427 167.497 164.598 195.968 1.00 47.95 C +ATOM 6378 O THR A 427 167.976 165.210 195.014 1.00 43.12 O +ATOM 6379 CB THR A 427 168.698 164.900 198.137 1.00 44.17 C +ATOM 6380 OG1 THR A 427 168.602 165.435 199.463 1.00 43.63 O +ATOM 6381 CG2 THR A 427 169.936 165.472 197.451 1.00 41.28 C +ATOM 6382 H THR A 427 166.382 164.343 198.762 1.00 49.71 H +ATOM 6383 HA THR A 427 167.389 166.206 197.231 1.00 53.24 H +ATOM 6384 HB THR A 427 168.795 163.936 198.187 1.00 53.01 H +ATOM 6385 HG1 THR A 427 167.937 165.107 199.858 1.00 52.36 H +ATOM 6386 HG21 THR A 427 170.731 165.247 197.960 1.00 49.53 H +ATOM 6387 HG22 THR A 427 170.019 165.105 196.557 1.00 49.53 H +ATOM 6388 HG23 THR A 427 169.864 166.438 197.390 1.00 49.53 H +ATOM 6389 N ARG A 428 167.011 163.364 195.870 1.00 47.91 N +ATOM 6390 CA ARG A 428 167.121 162.582 194.641 1.00 47.52 C +ATOM 6391 C ARG A 428 165.929 162.761 193.701 1.00 49.55 C +ATOM 6392 O ARG A 428 166.033 162.465 192.511 1.00 50.86 O +ATOM 6393 CB ARG A 428 167.275 161.096 194.976 1.00 51.41 C +ATOM 6394 CG ARG A 428 168.577 160.745 195.684 1.00 60.88 C +ATOM 6395 CD ARG A 428 168.615 159.273 196.057 1.00 84.83 C +ATOM 6396 NE ARG A 428 167.565 158.929 197.019 1.00 83.35 N +ATOM 6397 CZ ARG A 428 166.814 157.831 196.977 1.00 92.42 C +ATOM 6398 NH1 ARG A 428 166.972 156.931 196.014 1.00103.49 N +ATOM 6399 NH2 ARG A 428 165.892 157.630 197.909 1.00 92.22 N +ATOM 6400 H ARG A 428 166.609 162.953 196.508 1.00 57.49 H +ATOM 6401 HA ARG A 428 167.918 162.862 194.164 1.00 57.02 H +ATOM 6402 HB2 ARG A 428 166.544 160.831 195.555 1.00 61.69 H +ATOM 6403 HB3 ARG A 428 167.241 160.587 194.151 1.00 61.69 H +ATOM 6404 HG2 ARG A 428 169.324 160.929 195.093 1.00 73.05 H +ATOM 6405 HG3 ARG A 428 168.653 161.268 196.497 1.00 73.05 H +ATOM 6406 HD2 ARG A 428 168.482 158.738 195.259 1.00101.80 H +ATOM 6407 HD3 ARG A 428 169.473 159.068 196.459 1.00101.80 H +ATOM 6408 HE ARG A 428 167.423 159.481 197.663 1.00100.03 H +ATOM 6409 HH11 ARG A 428 167.567 157.053 195.405 1.00124.19 H +ATOM 6410 HH12 ARG A 428 166.479 156.227 195.999 1.00124.19 H +ATOM 6411 HH21 ARG A 428 165.782 158.207 198.537 1.00110.66 H +ATOM 6412 HH22 ARG A 428 165.404 156.922 197.886 1.00110.66 H +ATOM 6413 N GLN A 429 164.801 163.233 194.228 1.00 42.42 N +ATOM 6414 CA GLN A 429 163.604 163.401 193.407 1.00 37.91 C +ATOM 6415 C GLN A 429 163.593 164.749 192.700 1.00 51.06 C +ATOM 6416 O GLN A 429 163.823 165.786 193.317 1.00 54.02 O +ATOM 6417 CB GLN A 429 162.334 163.254 194.247 1.00 47.71 C +ATOM 6418 CG GLN A 429 161.067 163.536 193.444 1.00 57.89 C +ATOM 6419 CD GLN A 429 159.837 162.843 193.996 1.00 59.19 C +ATOM 6420 OE1 GLN A 429 159.827 162.373 195.132 1.00 55.42 O +ATOM 6421 NE2 GLN A 429 158.789 162.775 193.184 1.00 61.36 N +ATOM 6422 H GLN A 429 164.703 163.461 195.051 1.00 50.90 H +ATOM 6423 HA GLN A 429 163.591 162.709 192.727 1.00 45.49 H +ATOM 6424 HB2 GLN A 429 162.280 162.347 194.586 1.00 57.25 H +ATOM 6425 HB3 GLN A 429 162.368 163.883 194.985 1.00 57.25 H +ATOM 6426 HG2 GLN A 429 160.898 164.491 193.450 1.00 69.47 H +ATOM 6427 HG3 GLN A 429 161.198 163.229 192.534 1.00 69.47 H +ATOM 6428 HE21 GLN A 429 158.833 163.113 192.395 1.00 73.63 H +ATOM 6429 HE22 GLN A 429 158.065 162.392 193.447 1.00 73.63 H +ATOM 6430 N ILE A 430 163.308 164.720 191.404 1.00 55.79 N +ATOM 6431 CA ILE A 430 163.312 165.917 190.573 1.00 54.01 C +ATOM 6432 C ILE A 430 161.996 166.683 190.698 1.00 49.27 C +ATOM 6433 O ILE A 430 160.930 166.084 190.831 1.00 46.38 O +ATOM 6434 CB ILE A 430 163.566 165.549 189.086 1.00 51.09 C +ATOM 6435 CG1 ILE A 430 163.871 166.793 188.251 1.00 56.23 C +ATOM 6436 CG2 ILE A 430 162.382 164.779 188.498 1.00 44.89 C +ATOM 6437 CD1 ILE A 430 165.263 167.315 188.425 1.00 51.46 C +ATOM 6438 H ILE A 430 163.106 164.003 190.973 1.00 66.95 H +ATOM 6439 HA ILE A 430 164.029 166.501 190.864 1.00 64.81 H +ATOM 6440 HB ILE A 430 164.343 164.970 189.052 1.00 61.30 H +ATOM 6441 HG12 ILE A 430 163.751 166.577 187.313 1.00 67.48 H +ATOM 6442 HG13 ILE A 430 163.256 167.499 188.507 1.00 67.48 H +ATOM 6443 HG21 ILE A 430 162.574 164.566 187.571 1.00 53.87 H +ATOM 6444 HG22 ILE A 430 162.254 163.963 189.006 1.00 53.87 H +ATOM 6445 HG23 ILE A 430 161.588 165.332 188.554 1.00 53.87 H +ATOM 6446 HD11 ILE A 430 165.378 168.100 187.867 1.00 61.75 H +ATOM 6447 HD12 ILE A 430 165.398 167.549 189.357 1.00 61.75 H +ATOM 6448 HD13 ILE A 430 165.894 166.627 188.162 1.00 61.75 H +ATOM 6449 N ALA A 431 162.082 168.010 190.664 1.00 46.60 N +ATOM 6450 CA ALA A 431 160.897 168.861 190.641 1.00 46.49 C +ATOM 6451 C ALA A 431 160.503 169.166 189.199 1.00 46.99 C +ATOM 6452 O ALA A 431 161.244 168.859 188.268 1.00 52.31 O +ATOM 6453 CB ALA A 431 161.147 170.148 191.406 1.00 44.72 C +ATOM 6454 H ALA A 431 162.823 168.445 190.654 1.00 55.92 H +ATOM 6455 HA ALA A 431 160.161 168.394 191.065 1.00 55.79 H +ATOM 6456 HB1 ALA A 431 160.345 170.694 191.375 1.00 53.67 H +ATOM 6457 HB2 ALA A 431 161.363 169.931 192.327 1.00 53.67 H +ATOM 6458 HB3 ALA A 431 161.887 170.622 190.995 1.00 53.67 H +ATOM 6459 N GLY A 432 159.333 169.768 189.021 1.00 46.50 N +ATOM 6460 CA GLY A 432 158.837 170.094 187.696 1.00 48.10 C +ATOM 6461 C GLY A 432 159.213 171.499 187.270 1.00 56.21 C +ATOM 6462 O GLY A 432 159.466 172.367 188.105 1.00 54.23 O +ATOM 6463 H GLY A 432 158.804 170.000 189.659 1.00 55.80 H +ATOM 6464 HA2 GLY A 432 159.202 169.469 187.051 1.00 57.72 H +ATOM 6465 HA3 GLY A 432 157.870 170.018 187.685 1.00 57.72 H +ATOM 6466 N ARG A 433 159.246 171.720 185.960 1.00 66.44 N +ATOM 6467 CA ARG A 433 159.565 173.027 185.398 1.00 73.22 C +ATOM 6468 C ARG A 433 158.387 173.980 185.582 1.00 58.23 C +ATOM 6469 O ARG A 433 157.234 173.582 185.426 1.00 59.35 O +ATOM 6470 CB ARG A 433 159.922 172.887 183.918 1.00 68.67 C +ATOM 6471 CG ARG A 433 160.640 174.081 183.320 1.00 69.23 C +ATOM 6472 CD ARG A 433 160.985 173.818 181.865 1.00 69.14 C +ATOM 6473 NE ARG A 433 162.035 174.705 181.373 1.00 82.88 N +ATOM 6474 CZ ARG A 433 162.607 174.596 180.179 1.00 81.36 C +ATOM 6475 NH1 ARG A 433 162.235 173.635 179.344 1.00 84.10 N +ATOM 6476 NH2 ARG A 433 163.557 175.447 179.818 1.00 74.32 N +ATOM 6477 H ARG A 433 159.083 171.119 185.367 1.00 79.73 H +ATOM 6478 HA ARG A 433 160.332 173.397 185.863 1.00 87.86 H +ATOM 6479 HB2 ARG A 433 160.499 172.115 183.811 1.00 82.40 H +ATOM 6480 HB3 ARG A 433 159.104 172.755 183.414 1.00 82.40 H +ATOM 6481 HG2 ARG A 433 160.064 174.860 183.363 1.00 83.07 H +ATOM 6482 HG3 ARG A 433 161.464 174.240 183.807 1.00 83.07 H +ATOM 6483 HD2 ARG A 433 161.295 172.904 181.773 1.00 82.97 H +ATOM 6484 HD3 ARG A 433 160.194 173.958 181.321 1.00 82.97 H +ATOM 6485 HE ARG A 433 162.300 175.340 181.890 1.00 99.45 H +ATOM 6486 HH11 ARG A 433 161.620 173.080 179.574 1.00100.92 H +ATOM 6487 HH12 ARG A 433 162.608 173.567 178.572 1.00100.92 H +ATOM 6488 HH21 ARG A 433 163.801 176.071 180.356 1.00 89.19 H +ATOM 6489 HH22 ARG A 433 163.926 175.376 179.045 1.00 89.19 H +ATOM 6490 N VAL A 434 158.678 175.236 185.912 1.00 50.67 N +ATOM 6491 CA VAL A 434 157.636 176.208 186.236 1.00 59.76 C +ATOM 6492 C VAL A 434 157.174 176.983 185.004 1.00 65.96 C +ATOM 6493 O VAL A 434 155.976 177.058 184.727 1.00 64.60 O +ATOM 6494 CB VAL A 434 158.119 177.195 187.317 1.00 54.24 C +ATOM 6495 CG1 VAL A 434 157.087 178.295 187.559 1.00 47.00 C +ATOM 6496 CG2 VAL A 434 158.401 176.443 188.609 1.00 50.30 C +ATOM 6497 H VAL A 434 159.476 175.552 185.955 1.00 60.81 H +ATOM 6498 HA VAL A 434 156.868 175.734 186.592 1.00 71.71 H +ATOM 6499 HB VAL A 434 158.943 177.612 187.022 1.00 65.09 H +ATOM 6500 HG11 VAL A 434 157.421 178.897 188.242 1.00 56.40 H +ATOM 6501 HG12 VAL A 434 156.943 178.781 186.732 1.00 56.40 H +ATOM 6502 HG13 VAL A 434 156.256 177.890 187.853 1.00 56.40 H +ATOM 6503 HG21 VAL A 434 158.704 177.074 189.281 1.00 60.36 H +ATOM 6504 HG22 VAL A 434 157.586 176.009 188.906 1.00 60.36 H +ATOM 6505 HG23 VAL A 434 159.088 175.779 188.444 1.00 60.36 H +ATOM 6506 N ALA A 435 158.117 177.568 184.273 1.00 63.95 N +ATOM 6507 CA ALA A 435 157.791 178.236 183.022 1.00 61.32 C +ATOM 6508 C ALA A 435 157.650 177.192 181.920 1.00 63.33 C +ATOM 6509 O ALA A 435 158.040 176.039 182.102 1.00 58.67 O +ATOM 6510 CB ALA A 435 158.853 179.260 182.663 1.00 61.23 C +ATOM 6511 H ALA A 435 158.951 177.591 184.480 1.00 76.73 H +ATOM 6512 HA ALA A 435 156.943 178.697 183.115 1.00 73.58 H +ATOM 6513 HB1 ALA A 435 158.609 179.687 181.827 1.00 73.48 H +ATOM 6514 HB2 ALA A 435 158.905 179.921 183.371 1.00 73.48 H +ATOM 6515 HB3 ALA A 435 159.706 178.809 182.568 1.00 73.48 H +ATOM 6516 N GLY A 436 157.086 177.593 180.785 1.00 55.30 N +ATOM 6517 CA GLY A 436 156.920 176.699 179.653 1.00 67.91 C +ATOM 6518 C GLY A 436 155.497 176.195 179.500 1.00 62.88 C +ATOM 6519 O GLY A 436 155.126 175.693 178.442 1.00 77.40 O +ATOM 6520 H GLY A 436 156.788 178.388 180.648 1.00 66.36 H +ATOM 6521 HA2 GLY A 436 157.170 177.163 178.839 1.00 81.49 H +ATOM 6522 HA3 GLY A 436 157.505 175.933 179.761 1.00 81.49 H +ATOM 6523 N GLY A 437 154.706 176.316 180.561 1.00 57.30 N +ATOM 6524 CA GLY A 437 153.291 175.995 180.502 1.00 54.68 C +ATOM 6525 C GLY A 437 152.959 174.526 180.686 1.00 46.00 C +ATOM 6526 O GLY A 437 153.832 173.663 180.612 1.00 45.29 O +ATOM 6527 H GLY A 437 154.970 176.585 181.334 1.00 68.76 H +ATOM 6528 HA2 GLY A 437 152.826 176.494 181.191 1.00 65.61 H +ATOM 6529 HA3 GLY A 437 152.941 176.274 179.641 1.00 65.61 H +ATOM 6530 N ARG A 438 151.680 174.262 180.943 1.00 58.04 N +ATOM 6531 CA ARG A 438 151.128 172.908 181.016 1.00 62.96 C +ATOM 6532 C ARG A 438 151.944 171.954 181.882 1.00 56.36 C +ATOM 6533 O ARG A 438 152.415 170.924 181.402 1.00 62.36 O +ATOM 6534 CB ARG A 438 150.995 172.330 179.605 1.00 76.62 C +ATOM 6535 CG ARG A 438 150.025 173.104 178.734 1.00 70.96 C +ATOM 6536 CD ARG A 438 150.044 172.654 177.293 1.00 80.13 C +ATOM 6537 NE ARG A 438 149.056 173.388 176.507 1.00 93.05 N +ATOM 6538 CZ ARG A 438 148.819 173.187 175.216 1.00 90.47 C +ATOM 6539 NH1 ARG A 438 149.501 172.267 174.547 1.00 84.87 N +ATOM 6540 NH2 ARG A 438 147.897 173.908 174.594 1.00 93.88 N +ATOM 6541 H ARG A 438 151.091 174.872 181.084 1.00 69.65 H +ATOM 6542 HA ARG A 438 150.238 172.959 181.398 1.00 75.55 H +ATOM 6543 HB2 ARG A 438 151.863 172.348 179.173 1.00 91.94 H +ATOM 6544 HB3 ARG A 438 150.676 171.416 179.668 1.00 91.94 H +ATOM 6545 HG2 ARG A 438 149.125 172.979 179.076 1.00 85.15 H +ATOM 6546 HG3 ARG A 438 150.261 174.045 178.758 1.00 85.15 H +ATOM 6547 HD2 ARG A 438 150.921 172.822 176.914 1.00 96.16 H +ATOM 6548 HD3 ARG A 438 149.831 171.709 177.247 1.00 96.16 H +ATOM 6549 HE ARG A 438 148.595 173.993 176.909 1.00111.66 H +ATOM 6550 HH11 ARG A 438 150.099 171.798 174.948 1.00101.84 H +ATOM 6551 HH12 ARG A 438 149.344 172.139 173.711 1.00101.84 H +ATOM 6552 HH21 ARG A 438 147.455 174.505 175.027 1.00112.66 H +ATOM 6553 HH22 ARG A 438 147.743 173.779 173.758 1.00112.66 H +ATOM 6554 N ASN A 439 152.098 172.295 183.158 1.00 59.84 N +ATOM 6555 CA ASN A 439 152.821 171.434 184.088 1.00 51.36 C +ATOM 6556 C ASN A 439 152.288 171.531 185.517 1.00 59.68 C +ATOM 6557 O ASN A 439 152.944 171.082 186.457 1.00 65.51 O +ATOM 6558 CB ASN A 439 154.314 171.773 184.064 1.00 49.12 C +ATOM 6559 CG ASN A 439 155.188 170.610 184.495 1.00 50.12 C +ATOM 6560 OD1 ASN A 439 154.843 169.448 184.287 1.00 49.45 O +ATOM 6561 ND2 ASN A 439 156.328 170.920 185.101 1.00 55.49 N +ATOM 6562 H ASN A 439 151.795 173.018 183.510 1.00 71.81 H +ATOM 6563 HA ASN A 439 152.723 170.513 183.799 1.00 61.63 H +ATOM 6564 HB2 ASN A 439 154.567 172.020 183.160 1.00 58.94 H +ATOM 6565 HB3 ASN A 439 154.479 172.514 184.668 1.00 58.94 H +ATOM 6566 HD21 ASN A 439 156.858 170.296 185.365 1.00 66.58 H +ATOM 6567 HD22 ASN A 439 156.536 171.745 185.230 1.00 66.58 H +ATOM 6568 N VAL A 440 151.096 172.100 185.680 1.00 63.53 N +ATOM 6569 CA VAL A 440 150.436 172.125 186.984 1.00 57.20 C +ATOM 6570 C VAL A 440 149.738 170.787 187.219 1.00 50.99 C +ATOM 6571 O VAL A 440 148.904 170.382 186.416 1.00 55.51 O +ATOM 6572 CB VAL A 440 149.398 173.259 187.088 1.00 61.11 C +ATOM 6573 CG1 VAL A 440 148.735 173.253 188.465 1.00 56.53 C +ATOM 6574 CG2 VAL A 440 150.052 174.603 186.827 1.00 62.87 C +ATOM 6575 H VAL A 440 150.648 172.479 185.051 1.00 76.23 H +ATOM 6576 HA VAL A 440 151.100 172.252 187.680 1.00 68.64 H +ATOM 6577 HB VAL A 440 148.708 173.122 186.420 1.00 73.33 H +ATOM 6578 HG11 VAL A 440 148.088 173.974 188.506 1.00 67.84 H +ATOM 6579 HG12 VAL A 440 148.292 172.401 188.598 1.00 67.84 H +ATOM 6580 HG13 VAL A 440 149.417 173.381 189.143 1.00 67.84 H +ATOM 6581 HG21 VAL A 440 149.380 175.299 186.898 1.00 75.45 H +ATOM 6582 HG22 VAL A 440 150.750 174.748 187.484 1.00 75.45 H +ATOM 6583 HG23 VAL A 440 150.433 174.600 185.935 1.00 75.45 H +ATOM 6584 N PRO A 441 150.073 170.087 188.318 1.00 54.49 N +ATOM 6585 CA PRO A 441 149.409 168.797 188.544 1.00 55.33 C +ATOM 6586 C PRO A 441 147.904 168.958 188.756 1.00 56.21 C +ATOM 6587 O PRO A 441 147.489 169.963 189.332 1.00 53.65 O +ATOM 6588 CB PRO A 441 150.087 168.266 189.813 1.00 59.52 C +ATOM 6589 CG PRO A 441 151.342 169.055 189.955 1.00 55.24 C +ATOM 6590 CD PRO A 441 151.051 170.392 189.374 1.00 55.55 C +ATOM 6591 HA PRO A 441 149.575 168.190 187.806 1.00 66.40 H +ATOM 6592 HB2 PRO A 441 149.505 168.409 190.577 1.00 71.42 H +ATOM 6593 HB3 PRO A 441 150.286 167.323 189.707 1.00 71.42 H +ATOM 6594 HG2 PRO A 441 151.572 169.134 190.894 1.00 66.29 H +ATOM 6595 HG3 PRO A 441 152.056 168.619 189.464 1.00 66.29 H +ATOM 6596 HD2 PRO A 441 150.657 170.974 190.043 1.00 66.66 H +ATOM 6597 HD3 PRO A 441 151.854 170.779 188.992 1.00 66.66 H +ATOM 6598 N PRO A 442 147.094 167.985 188.300 1.00 62.55 N +ATOM 6599 CA PRO A 442 145.641 168.062 188.494 1.00 59.91 C +ATOM 6600 C PRO A 442 145.251 168.245 189.958 1.00 51.47 C +ATOM 6601 O PRO A 442 144.214 168.835 190.255 1.00 50.85 O +ATOM 6602 CB PRO A 442 145.145 166.710 187.968 1.00 70.18 C +ATOM 6603 CG PRO A 442 146.190 166.262 187.022 1.00 77.52 C +ATOM 6604 CD PRO A 442 147.485 166.769 187.567 1.00 66.06 C +ATOM 6605 HA PRO A 442 145.262 168.779 187.962 1.00 71.89 H +ATOM 6606 HB2 PRO A 442 145.057 166.085 188.705 1.00 84.22 H +ATOM 6607 HB3 PRO A 442 144.296 166.828 187.513 1.00 84.22 H +ATOM 6608 HG2 PRO A 442 146.194 165.293 186.979 1.00 93.02 H +ATOM 6609 HG3 PRO A 442 146.018 166.640 186.146 1.00 93.02 H +ATOM 6610 HD2 PRO A 442 147.874 166.119 188.173 1.00 79.27 H +ATOM 6611 HD3 PRO A 442 148.093 166.990 186.844 1.00 79.27 H +ATOM 6612 N ALA A 443 146.095 167.745 190.854 1.00 56.54 N +ATOM 6613 CA ALA A 443 145.819 167.773 192.287 1.00 54.59 C +ATOM 6614 C ALA A 443 145.608 169.191 192.816 1.00 53.89 C +ATOM 6615 O ALA A 443 144.726 169.423 193.642 1.00 56.49 O +ATOM 6616 CB ALA A 443 146.952 167.097 193.042 1.00 51.87 C +ATOM 6617 H ALA A 443 146.846 167.377 190.655 1.00 67.85 H +ATOM 6618 HA ALA A 443 145.008 167.270 192.458 1.00 65.51 H +ATOM 6619 HB1 ALA A 443 146.757 167.123 193.991 1.00 62.25 H +ATOM 6620 HB2 ALA A 443 147.025 166.177 192.743 1.00 62.25 H +ATOM 6621 HB3 ALA A 443 147.779 167.571 192.860 1.00 62.25 H +ATOM 6622 N VAL A 444 146.420 170.131 192.342 1.00 59.34 N +ATOM 6623 CA VAL A 444 146.336 171.524 192.779 1.00 56.88 C +ATOM 6624 C VAL A 444 145.812 172.415 191.659 1.00 56.58 C +ATOM 6625 O VAL A 444 146.095 173.612 191.620 1.00 63.23 O +ATOM 6626 CB VAL A 444 147.706 172.054 193.256 1.00 57.26 C +ATOM 6627 CG1 VAL A 444 148.116 171.373 194.552 1.00 54.24 C +ATOM 6628 CG2 VAL A 444 148.767 171.858 192.182 1.00 53.49 C +ATOM 6629 H VAL A 444 147.036 169.987 191.759 1.00 71.21 H +ATOM 6630 HA VAL A 444 145.717 171.583 193.523 1.00 68.25 H +ATOM 6631 HB VAL A 444 147.631 173.006 193.431 1.00 68.71 H +ATOM 6632 HG11 VAL A 444 148.977 171.720 194.832 1.00 65.08 H +ATOM 6633 HG12 VAL A 444 147.447 171.557 195.230 1.00 65.08 H +ATOM 6634 HG13 VAL A 444 148.178 170.417 194.399 1.00 65.08 H +ATOM 6635 HG21 VAL A 444 149.614 172.199 192.509 1.00 64.19 H +ATOM 6636 HG22 VAL A 444 148.845 170.911 191.985 1.00 64.19 H +ATOM 6637 HG23 VAL A 444 148.501 172.341 191.384 1.00 64.19 H +ATOM 6638 N GLN A 445 145.042 171.823 190.754 1.00 61.69 N +ATOM 6639 CA GLN A 445 144.461 172.550 189.633 1.00 60.86 C +ATOM 6640 C GLN A 445 143.632 173.742 190.096 1.00 61.01 C +ATOM 6641 O GLN A 445 143.663 174.806 189.478 1.00 59.13 O +ATOM 6642 CB GLN A 445 143.600 171.605 188.790 1.00 69.81 C +ATOM 6643 CG GLN A 445 142.690 172.307 187.795 1.00 78.87 C +ATOM 6644 CD GLN A 445 141.991 171.347 186.855 1.00 84.65 C +ATOM 6645 OE1 GLN A 445 142.396 170.194 186.709 1.00 76.72 O +ATOM 6646 NE2 GLN A 445 140.929 171.821 186.211 1.00 69.10 N +ATOM 6647 H GLN A 445 144.838 170.987 190.768 1.00 74.03 H +ATOM 6648 HA GLN A 445 145.177 172.884 189.070 1.00 73.03 H +ATOM 6649 HB2 GLN A 445 144.184 171.015 188.289 1.00 83.77 H +ATOM 6650 HB3 GLN A 445 143.039 171.082 189.384 1.00 83.77 H +ATOM 6651 HG2 GLN A 445 142.010 172.799 188.282 1.00 94.64 H +ATOM 6652 HG3 GLN A 445 143.221 172.918 187.259 1.00 94.64 H +ATOM 6653 HE21 GLN A 445 140.674 172.632 186.340 1.00 82.92 H +ATOM 6654 HE22 GLN A 445 140.496 171.316 185.666 1.00 82.92 H +ATOM 6655 N LYS A 446 142.888 173.561 191.182 1.00 69.06 N +ATOM 6656 CA LYS A 446 142.016 174.615 191.687 1.00 68.75 C +ATOM 6657 C LYS A 446 142.808 175.746 192.330 1.00 61.45 C +ATOM 6658 O LYS A 446 142.363 176.893 192.339 1.00 60.44 O +ATOM 6659 CB LYS A 446 141.011 174.042 192.690 1.00 65.45 C +ATOM 6660 CG LYS A 446 139.927 173.185 192.057 1.00 69.92 C +ATOM 6661 CD LYS A 446 139.015 174.012 191.148 1.00 92.05 C +ATOM 6662 CE LYS A 446 138.309 173.148 190.124 1.00100.49 C +ATOM 6663 NZ LYS A 446 137.764 173.978 189.012 1.00 75.33 N +ATOM 6664 H LYS A 446 142.870 172.836 191.644 1.00 82.87 H +ATOM 6665 HA LYS A 446 141.515 174.988 190.946 1.00 82.50 H +ATOM 6666 HB2 LYS A 446 141.488 173.491 193.330 1.00 78.54 H +ATOM 6667 HB3 LYS A 446 140.576 174.777 193.151 1.00 78.54 H +ATOM 6668 HG2 LYS A 446 140.340 172.490 191.522 1.00 83.90 H +ATOM 6669 HG3 LYS A 446 139.382 172.791 192.756 1.00 83.90 H +ATOM 6670 HD2 LYS A 446 138.342 174.454 191.688 1.00110.46 H +ATOM 6671 HD3 LYS A 446 139.549 174.669 190.674 1.00110.46 H +ATOM 6672 HE2 LYS A 446 138.939 172.512 189.751 1.00120.58 H +ATOM 6673 HE3 LYS A 446 137.571 172.684 190.549 1.00120.58 H +ATOM 6674 HZ1 LYS A 446 137.352 173.457 188.418 1.00 90.40 H +ATOM 6675 HZ2 LYS A 446 137.181 174.569 189.331 1.00 90.40 H +ATOM 6676 HZ3 LYS A 446 138.425 174.413 188.605 1.00 90.40 H +ATOM 6677 N VAL A 447 143.977 175.424 192.869 1.00 62.85 N +ATOM 6678 CA VAL A 447 144.844 176.445 193.434 1.00 63.27 C +ATOM 6679 C VAL A 447 145.276 177.404 192.332 1.00 60.77 C +ATOM 6680 O VAL A 447 145.323 178.616 192.534 1.00 57.05 O +ATOM 6681 CB VAL A 447 146.087 175.833 194.109 1.00 62.45 C +ATOM 6682 CG1 VAL A 447 146.997 176.923 194.645 1.00 81.36 C +ATOM 6683 CG2 VAL A 447 145.674 174.896 195.234 1.00 59.59 C +ATOM 6684 H VAL A 447 144.290 174.624 192.919 1.00 75.42 H +ATOM 6685 HA VAL A 447 144.353 176.949 194.102 1.00 75.93 H +ATOM 6686 HB VAL A 447 146.585 175.318 193.454 1.00 74.94 H +ATOM 6687 HG11 VAL A 447 147.770 176.511 195.064 1.00 97.63 H +ATOM 6688 HG12 VAL A 447 147.281 177.487 193.909 1.00 97.63 H +ATOM 6689 HG13 VAL A 447 146.509 177.449 195.297 1.00 97.63 H +ATOM 6690 HG21 VAL A 447 146.470 174.523 195.643 1.00 71.50 H +ATOM 6691 HG22 VAL A 447 145.167 175.397 195.892 1.00 71.50 H +ATOM 6692 HG23 VAL A 447 145.126 174.184 194.867 1.00 71.50 H +ATOM 6693 N SER A 448 145.585 176.853 191.162 1.00 61.54 N +ATOM 6694 CA SER A 448 145.962 177.663 190.010 1.00 66.42 C +ATOM 6695 C SER A 448 144.840 178.614 189.616 1.00 60.45 C +ATOM 6696 O SER A 448 145.073 179.801 189.393 1.00 62.93 O +ATOM 6697 CB SER A 448 146.331 176.774 188.821 1.00 62.06 C +ATOM 6698 OG SER A 448 147.719 176.498 188.806 1.00 71.61 O +ATOM 6699 H SER A 448 145.583 176.007 191.009 1.00 73.85 H +ATOM 6700 HA SER A 448 146.740 178.196 190.239 1.00 79.71 H +ATOM 6701 HB2 SER A 448 145.844 175.938 188.890 1.00 74.48 H +ATOM 6702 HB3 SER A 448 146.091 177.230 188.000 1.00 74.48 H +ATOM 6703 HG SER A 448 147.908 176.009 188.150 1.00 85.93 H +ATOM 6704 N GLN A 449 143.624 178.086 189.527 1.00 50.84 N +ATOM 6705 CA GLN A 449 142.468 178.901 189.179 1.00 54.96 C +ATOM 6706 C GLN A 449 142.237 179.982 190.229 1.00 57.01 C +ATOM 6707 O GLN A 449 141.816 181.092 189.906 1.00 60.83 O +ATOM 6708 CB GLN A 449 141.218 178.034 189.035 1.00 59.14 C +ATOM 6709 CG GLN A 449 139.983 178.813 188.612 1.00 61.62 C +ATOM 6710 CD GLN A 449 138.784 177.925 188.359 1.00 63.05 C +ATOM 6711 OE1 GLN A 449 138.817 176.724 188.630 1.00 60.59 O +ATOM 6712 NE2 GLN A 449 137.715 178.512 187.835 1.00 60.03 N +ATOM 6713 H GLN A 449 143.441 177.256 189.664 1.00 61.01 H +ATOM 6714 HA GLN A 449 142.632 179.338 188.329 1.00 65.95 H +ATOM 6715 HB2 GLN A 449 141.384 177.353 188.364 1.00 70.97 H +ATOM 6716 HB3 GLN A 449 141.027 177.614 189.889 1.00 70.97 H +ATOM 6717 HG2 GLN A 449 139.749 179.439 189.316 1.00 73.95 H +ATOM 6718 HG3 GLN A 449 140.178 179.294 187.793 1.00 73.95 H +ATOM 6719 HE21 GLN A 449 137.730 179.354 187.658 1.00 72.04 H +ATOM 6720 HE22 GLN A 449 137.008 178.051 187.671 1.00 72.04 H +ATOM 6721 N ALA A 450 142.517 179.652 191.486 1.00 54.51 N +ATOM 6722 CA ALA A 450 142.344 180.598 192.582 1.00 57.15 C +ATOM 6723 C ALA A 450 143.270 181.796 192.413 1.00 63.51 C +ATOM 6724 O ALA A 450 142.879 182.935 192.670 1.00 60.09 O +ATOM 6725 CB ALA A 450 142.601 179.916 193.914 1.00 58.12 C +ATOM 6726 H ALA A 450 142.810 178.881 191.731 1.00 65.41 H +ATOM 6727 HA ALA A 450 141.430 180.921 192.581 1.00 68.58 H +ATOM 6728 HB1 ALA A 450 142.480 180.562 194.627 1.00 69.74 H +ATOM 6729 HB2 ALA A 450 141.972 179.185 194.020 1.00 69.74 H +ATOM 6730 HB3 ALA A 450 143.509 179.576 193.924 1.00 69.74 H +ATOM 6731 N SER A 451 144.498 181.533 191.978 1.00 53.14 N +ATOM 6732 CA SER A 451 145.476 182.590 191.760 1.00 54.32 C +ATOM 6733 C SER A 451 144.965 183.605 190.745 1.00 62.60 C +ATOM 6734 O SER A 451 145.061 184.814 190.958 1.00 64.43 O +ATOM 6735 CB SER A 451 146.801 181.998 191.285 1.00 58.41 C +ATOM 6736 OG SER A 451 147.274 181.024 192.197 1.00 65.56 O +ATOM 6737 H SER A 451 144.790 180.744 191.800 1.00 63.77 H +ATOM 6738 HA SER A 451 145.635 183.053 192.597 1.00 65.19 H +ATOM 6739 HB2 SER A 451 146.669 181.582 190.419 1.00 70.09 H +ATOM 6740 HB3 SER A 451 147.457 182.709 191.214 1.00 70.09 H +ATOM 6741 HG SER A 451 147.393 181.371 192.953 1.00 78.68 H +ATOM 6742 N ILE A 452 144.421 183.103 189.642 1.00 69.74 N +ATOM 6743 CA ILE A 452 143.868 183.957 188.600 1.00 68.75 C +ATOM 6744 C ILE A 452 142.677 184.746 189.136 1.00 56.40 C +ATOM 6745 O ILE A 452 142.624 185.966 188.999 1.00 57.96 O +ATOM 6746 CB ILE A 452 143.428 183.135 187.369 1.00 71.21 C +ATOM 6747 CG1 ILE A 452 144.624 182.382 186.780 1.00 71.80 C +ATOM 6748 CG2 ILE A 452 142.802 184.042 186.306 1.00 66.38 C +ATOM 6749 CD1 ILE A 452 144.252 181.359 185.728 1.00 72.67 C +ATOM 6750 H ILE A 452 144.360 182.262 189.472 1.00 83.68 H +ATOM 6751 HA ILE A 452 144.545 184.590 188.315 1.00 82.51 H +ATOM 6752 HB ILE A 452 142.764 182.487 187.652 1.00 85.46 H +ATOM 6753 HG12 ILE A 452 145.225 183.023 186.370 1.00 86.17 H +ATOM 6754 HG13 ILE A 452 145.082 181.915 187.497 1.00 86.17 H +ATOM 6755 HG21 ILE A 452 142.536 183.501 185.547 1.00 79.65 H +ATOM 6756 HG22 ILE A 452 142.027 184.484 186.686 1.00 79.65 H +ATOM 6757 HG23 ILE A 452 143.457 184.702 186.030 1.00 79.65 H +ATOM 6758 HD11 ILE A 452 145.059 180.929 185.407 1.00 87.20 H +ATOM 6759 HD12 ILE A 452 143.660 180.701 186.124 1.00 87.20 H +ATOM 6760 HD13 ILE A 452 143.803 181.810 184.996 1.00 87.20 H +ATOM 6761 N ASP A 453 141.729 184.039 189.742 1.00 59.62 N +ATOM 6762 CA ASP A 453 140.517 184.665 190.259 1.00 54.48 C +ATOM 6763 C ASP A 453 140.841 185.728 191.303 1.00 55.06 C +ATOM 6764 O ASP A 453 140.305 186.832 191.258 1.00 50.30 O +ATOM 6765 CB ASP A 453 139.583 183.613 190.864 1.00 59.09 C +ATOM 6766 CG ASP A 453 138.963 182.704 189.817 1.00 61.94 C +ATOM 6767 OD1 ASP A 453 138.834 183.125 188.649 1.00 57.41 O +ATOM 6768 OD2 ASP A 453 138.595 181.566 190.171 1.00 55.62 O +ATOM 6769 H ASP A 453 141.763 183.189 189.867 1.00 71.54 H +ATOM 6770 HA ASP A 453 140.048 185.097 189.528 1.00 65.38 H +ATOM 6771 HB2 ASP A 453 140.088 183.059 191.480 1.00 70.90 H +ATOM 6772 HB3 ASP A 453 138.864 184.062 191.335 1.00 70.90 H +ATOM 6773 N GLN A 454 141.725 185.393 192.237 1.00 60.21 N +ATOM 6774 CA GLN A 454 142.084 186.310 193.312 1.00 54.23 C +ATOM 6775 C GLN A 454 142.812 187.549 192.793 1.00 49.98 C +ATOM 6776 O GLN A 454 142.678 188.634 193.357 1.00 45.98 O +ATOM 6777 CB GLN A 454 142.949 185.595 194.349 1.00 64.44 C +ATOM 6778 CG GLN A 454 142.176 184.626 195.228 1.00 71.88 C +ATOM 6779 CD GLN A 454 143.085 183.737 196.049 1.00 58.48 C +ATOM 6780 OE1 GLN A 454 144.227 184.093 196.334 1.00 69.27 O +ATOM 6781 NE2 GLN A 454 142.583 182.570 196.430 1.00 77.55 N +ATOM 6782 H GLN A 454 142.133 184.636 192.270 1.00 72.25 H +ATOM 6783 HA GLN A 454 141.273 186.606 193.754 1.00 65.08 H +ATOM 6784 HB2 GLN A 454 143.639 185.092 193.887 1.00 77.33 H +ATOM 6785 HB3 GLN A 454 143.358 186.259 194.926 1.00 77.33 H +ATOM 6786 HG2 GLN A 454 141.616 185.130 195.839 1.00 86.26 H +ATOM 6787 HG3 GLN A 454 141.627 184.057 194.666 1.00 86.26 H +ATOM 6788 HE21 GLN A 454 141.781 182.353 196.208 1.00 93.07 H +ATOM 6789 HE22 GLN A 454 143.060 182.029 196.898 1.00 93.07 H +ATOM 6790 N SER A 455 143.583 187.391 191.721 1.00 49.77 N +ATOM 6791 CA SER A 455 144.295 188.522 191.139 1.00 47.73 C +ATOM 6792 C SER A 455 143.314 189.448 190.430 1.00 42.12 C +ATOM 6793 O SER A 455 143.527 190.656 190.362 1.00 36.86 O +ATOM 6794 CB SER A 455 145.378 188.046 190.168 1.00 51.15 C +ATOM 6795 OG SER A 455 144.817 187.326 189.087 1.00 66.26 O +ATOM 6796 H SER A 455 143.709 186.643 191.315 1.00 59.72 H +ATOM 6797 HA SER A 455 144.726 189.025 191.848 1.00 57.27 H +ATOM 6798 HB2 SER A 455 145.850 188.819 189.820 1.00 61.37 H +ATOM 6799 HB3 SER A 455 145.995 187.469 190.644 1.00 61.37 H +ATOM 6800 HG SER A 455 144.405 186.653 189.374 1.00 79.51 H +ATOM 6801 N ARG A 456 142.237 188.873 189.904 1.00 48.61 N +ATOM 6802 CA ARG A 456 141.174 189.661 189.293 1.00 45.29 C +ATOM 6803 C ARG A 456 140.405 190.431 190.360 1.00 39.45 C +ATOM 6804 O ARG A 456 140.037 191.585 190.154 1.00 46.19 O +ATOM 6805 CB ARG A 456 140.228 188.763 188.496 1.00 44.22 C +ATOM 6806 CG ARG A 456 140.842 188.216 187.220 1.00 47.22 C +ATOM 6807 CD ARG A 456 139.944 187.183 186.562 1.00 50.09 C +ATOM 6808 NE ARG A 456 140.552 186.630 185.355 1.00 57.63 N +ATOM 6809 CZ ARG A 456 139.987 185.708 184.582 1.00 46.44 C +ATOM 6810 NH1 ARG A 456 138.790 185.223 184.881 1.00 55.51 N +ATOM 6811 NH2 ARG A 456 140.621 185.270 183.505 1.00 53.11 N +ATOM 6812 H ARG A 456 142.098 188.024 189.889 1.00 58.34 H +ATOM 6813 HA ARG A 456 141.566 190.304 188.682 1.00 54.34 H +ATOM 6814 HB2 ARG A 456 139.971 188.009 189.050 1.00 53.07 H +ATOM 6815 HB3 ARG A 456 139.442 189.276 188.252 1.00 53.07 H +ATOM 6816 HG2 ARG A 456 140.978 188.944 186.593 1.00 56.67 H +ATOM 6817 HG3 ARG A 456 141.689 187.792 187.430 1.00 56.67 H +ATOM 6818 HD2 ARG A 456 139.786 186.455 187.184 1.00 60.11 H +ATOM 6819 HD3 ARG A 456 139.104 187.601 186.315 1.00 60.11 H +ATOM 6820 HE ARG A 456 141.329 186.920 185.129 1.00 69.16 H +ATOM 6821 HH11 ARG A 456 138.375 185.504 185.580 1.00 66.62 H +ATOM 6822 HH12 ARG A 456 138.430 184.627 184.378 1.00 66.62 H +ATOM 6823 HH21 ARG A 456 141.397 185.581 183.306 1.00 63.73 H +ATOM 6824 HH22 ARG A 456 140.256 184.673 183.004 1.00 63.73 H +ATOM 6825 N GLN A 457 140.166 189.785 191.499 1.00 36.14 N +ATOM 6826 CA GLN A 457 139.550 190.452 192.643 1.00 37.96 C +ATOM 6827 C GLN A 457 140.365 191.675 193.043 1.00 38.09 C +ATOM 6828 O GLN A 457 139.815 192.735 193.331 1.00 37.59 O +ATOM 6829 CB GLN A 457 139.435 189.503 193.838 1.00 44.96 C +ATOM 6830 CG GLN A 457 138.496 188.327 193.641 1.00 57.08 C +ATOM 6831 CD GLN A 457 138.485 187.395 194.837 1.00 64.19 C +ATOM 6832 OE1 GLN A 457 138.420 187.839 195.983 1.00 59.33 O +ATOM 6833 NE2 GLN A 457 138.561 186.095 194.578 1.00 57.38 N +ATOM 6834 H GLN A 457 140.351 188.956 191.635 1.00 43.37 H +ATOM 6835 HA GLN A 457 138.659 190.746 192.401 1.00 45.56 H +ATOM 6836 HB2 GLN A 457 140.315 189.144 194.033 1.00 53.96 H +ATOM 6837 HB3 GLN A 457 139.114 190.008 194.602 1.00 53.96 H +ATOM 6838 HG2 GLN A 457 137.594 188.659 193.509 1.00 68.49 H +ATOM 6839 HG3 GLN A 457 138.782 187.819 192.866 1.00 68.49 H +ATOM 6840 HE21 GLN A 457 138.612 185.821 193.764 1.00 68.86 H +ATOM 6841 HE22 GLN A 457 138.558 185.526 195.223 1.00 68.86 H +ATOM 6842 N MET A 458 141.685 191.514 193.056 1.00 35.65 N +ATOM 6843 CA MET A 458 142.588 192.584 193.453 1.00 37.17 C +ATOM 6844 C MET A 458 142.886 193.538 192.295 1.00 39.07 C +ATOM 6845 O MET A 458 143.617 194.512 192.463 1.00 41.93 O +ATOM 6846 CB MET A 458 143.888 191.991 194.003 1.00 46.75 C +ATOM 6847 CG MET A 458 143.715 191.283 195.344 1.00 38.25 C +ATOM 6848 SD MET A 458 145.245 190.607 196.022 1.00 45.80 S +ATOM 6849 CE MET A 458 145.727 189.454 194.738 1.00 45.15 C +ATOM 6850 H MET A 458 142.085 190.785 192.835 1.00 42.77 H +ATOM 6851 HA MET A 458 142.171 193.089 194.169 1.00 44.60 H +ATOM 6852 HB2 MET A 458 144.231 191.344 193.367 1.00 56.10 H +ATOM 6853 HB3 MET A 458 144.532 192.706 194.125 1.00 56.10 H +ATOM 6854 HG2 MET A 458 143.361 191.917 195.987 1.00 45.90 H +ATOM 6855 HG3 MET A 458 143.092 190.548 195.230 1.00 45.90 H +ATOM 6856 HE1 MET A 458 146.555 189.021 194.998 1.00 54.18 H +ATOM 6857 HE2 MET A 458 145.026 188.792 194.630 1.00 54.18 H +ATOM 6858 HE3 MET A 458 145.854 189.941 193.909 1.00 54.18 H +ATOM 6859 N LYS A 459 142.323 193.248 191.125 1.00 38.19 N +ATOM 6860 CA LYS A 459 142.418 194.136 189.966 1.00 40.56 C +ATOM 6861 C LYS A 459 143.858 194.401 189.528 1.00 33.62 C +ATOM 6862 O LYS A 459 144.297 195.548 189.469 1.00 34.87 O +ATOM 6863 CB LYS A 459 141.720 195.465 190.267 1.00 43.31 C +ATOM 6864 CG LYS A 459 140.248 195.317 190.624 1.00 56.95 C +ATOM 6865 CD LYS A 459 139.622 196.645 191.016 1.00 71.35 C +ATOM 6866 CE LYS A 459 140.206 197.182 192.314 1.00 80.01 C +ATOM 6867 NZ LYS A 459 139.515 198.416 192.770 1.00 88.50 N +ATOM 6868 H LYS A 459 141.874 192.531 190.973 1.00 45.83 H +ATOM 6869 HA LYS A 459 141.955 193.723 189.220 1.00 48.67 H +ATOM 6870 HB2 LYS A 459 142.166 195.890 191.016 1.00 51.98 H +ATOM 6871 HB3 LYS A 459 141.780 196.034 189.483 1.00 51.98 H +ATOM 6872 HG2 LYS A 459 139.767 194.971 189.856 1.00 68.35 H +ATOM 6873 HG3 LYS A 459 140.162 194.708 191.374 1.00 68.35 H +ATOM 6874 HD2 LYS A 459 139.788 197.296 190.317 1.00 85.62 H +ATOM 6875 HD3 LYS A 459 138.667 196.524 191.141 1.00 85.62 H +ATOM 6876 HE2 LYS A 459 140.112 196.510 193.007 1.00 96.02 H +ATOM 6877 HE3 LYS A 459 141.143 197.393 192.178 1.00 96.02 H +ATOM 6878 HZ1 LYS A 459 139.591 199.052 192.152 1.00106.20 H +ATOM 6879 HZ2 LYS A 459 138.652 198.248 192.908 1.00106.20 H +ATOM 6880 HZ3 LYS A 459 139.879 198.704 193.529 1.00106.20 H +ATOM 6881 N TYR A 460 144.585 193.335 189.218 1.00 39.98 N +ATOM 6882 CA TYR A 460 145.938 193.455 188.689 1.00 39.50 C +ATOM 6883 C TYR A 460 145.940 194.051 187.287 1.00 39.47 C +ATOM 6884 O TYR A 460 145.080 193.730 186.466 1.00 43.39 O +ATOM 6885 CB TYR A 460 146.625 192.090 188.644 1.00 39.34 C +ATOM 6886 CG TYR A 460 147.188 191.597 189.955 1.00 35.31 C +ATOM 6887 CD1 TYR A 460 146.772 192.127 191.167 1.00 37.37 C +ATOM 6888 CD2 TYR A 460 148.148 190.598 189.973 1.00 36.54 C +ATOM 6889 CE1 TYR A 460 147.295 191.668 192.357 1.00 35.18 C +ATOM 6890 CE2 TYR A 460 148.675 190.137 191.154 1.00 35.68 C +ATOM 6891 CZ TYR A 460 148.247 190.673 192.344 1.00 36.77 C +ATOM 6892 OH TYR A 460 148.774 190.209 193.524 1.00 34.80 O +ATOM 6893 H TYR A 460 144.316 192.523 189.305 1.00 47.98 H +ATOM 6894 HA TYR A 460 146.456 194.037 189.267 1.00 47.41 H +ATOM 6895 HB2 TYR A 460 145.979 191.433 188.340 1.00 47.21 H +ATOM 6896 HB3 TYR A 460 147.359 192.138 188.012 1.00 47.21 H +ATOM 6897 HD1 TYR A 460 146.129 192.798 191.178 1.00 44.85 H +ATOM 6898 HD2 TYR A 460 148.440 190.232 189.170 1.00 43.84 H +ATOM 6899 HE1 TYR A 460 147.007 192.030 193.164 1.00 42.21 H +ATOM 6900 HE2 TYR A 460 149.317 189.464 191.148 1.00 42.82 H +ATOM 6901 HH TYR A 460 149.340 189.607 193.369 1.00 41.76 H +ATOM 6902 N GLN A 461 146.919 194.905 187.007 1.00 35.44 N +ATOM 6903 CA GLN A 461 147.143 195.363 185.643 1.00 34.39 C +ATOM 6904 C GLN A 461 147.628 194.191 184.792 1.00 42.83 C +ATOM 6905 O GLN A 461 147.908 193.111 185.311 1.00 40.40 O +ATOM 6906 CB GLN A 461 148.155 196.508 185.603 1.00 32.54 C +ATOM 6907 CG GLN A 461 147.629 197.823 186.155 1.00 36.72 C +ATOM 6908 CD GLN A 461 148.563 198.985 185.880 1.00 38.07 C +ATOM 6909 OE1 GLN A 461 149.141 199.090 184.798 1.00 43.76 O +ATOM 6910 NE2 GLN A 461 148.717 199.864 186.861 1.00 36.85 N +ATOM 6911 H GLN A 461 147.464 195.233 187.586 1.00 42.52 H +ATOM 6912 HA GLN A 461 146.307 195.683 185.271 1.00 41.26 H +ATOM 6913 HB2 GLN A 461 148.930 196.256 186.129 1.00 39.05 H +ATOM 6914 HB3 GLN A 461 148.419 196.659 184.682 1.00 39.05 H +ATOM 6915 HG2 GLN A 461 146.774 198.020 185.741 1.00 44.07 H +ATOM 6916 HG3 GLN A 461 147.523 197.743 187.115 1.00 44.07 H +ATOM 6917 HE21 GLN A 461 148.297 199.758 187.604 1.00 44.22 H +ATOM 6918 HE22 GLN A 461 149.236 200.541 186.753 1.00 44.22 H +ATOM 6919 N SER A 462 147.728 194.404 183.485 1.00 49.44 N +ATOM 6920 CA SER A 462 148.094 193.328 182.572 1.00 48.37 C +ATOM 6921 C SER A 462 149.542 192.887 182.751 1.00 44.66 C +ATOM 6922 O SER A 462 150.327 193.533 183.446 1.00 43.51 O +ATOM 6923 CB SER A 462 147.870 193.760 181.126 1.00 51.32 C +ATOM 6924 OG SER A 462 148.862 194.682 180.720 1.00 48.71 O +ATOM 6925 H SER A 462 147.589 195.161 183.102 1.00 59.33 H +ATOM 6926 HA SER A 462 147.525 192.562 182.746 1.00 58.04 H +ATOM 6927 HB2 SER A 462 147.911 192.978 180.553 1.00 61.59 H +ATOM 6928 HB3 SER A 462 146.999 194.180 181.053 1.00 61.59 H +ATOM 6929 HG SER A 462 148.730 194.913 179.923 1.00 58.45 H +ATOM 6930 N PHE A 463 149.879 191.773 182.113 1.00 42.35 N +ATOM 6931 CA PHE A 463 151.227 191.227 182.144 1.00 37.25 C +ATOM 6932 C PHE A 463 152.242 192.197 181.551 1.00 46.01 C +ATOM 6933 O PHE A 463 153.357 192.324 182.054 1.00 41.35 O +ATOM 6934 CB PHE A 463 151.261 189.900 181.386 1.00 40.42 C +ATOM 6935 CG PHE A 463 152.619 189.268 181.315 1.00 46.12 C +ATOM 6936 CD1 PHE A 463 153.200 188.713 182.443 1.00 40.77 C +ATOM 6937 CD2 PHE A 463 153.305 189.207 180.113 1.00 50.49 C +ATOM 6938 CE1 PHE A 463 154.438 188.118 182.374 1.00 42.24 C +ATOM 6939 CE2 PHE A 463 154.548 188.614 180.041 1.00 46.72 C +ATOM 6940 CZ PHE A 463 155.117 188.069 181.172 1.00 49.33 C +ATOM 6941 H PHE A 463 149.330 191.305 181.644 1.00 50.82 H +ATOM 6942 HA PHE A 463 151.478 191.054 183.065 1.00 44.70 H +ATOM 6943 HB2 PHE A 463 150.666 189.274 181.828 1.00 48.51 H +ATOM 6944 HB3 PHE A 463 150.959 190.053 180.477 1.00 48.51 H +ATOM 6945 HD1 PHE A 463 152.747 188.742 183.255 1.00 48.93 H +ATOM 6946 HD2 PHE A 463 152.924 189.572 179.348 1.00 60.59 H +ATOM 6947 HE1 PHE A 463 154.821 187.753 183.139 1.00 50.69 H +ATOM 6948 HE2 PHE A 463 155.002 188.582 179.229 1.00 56.06 H +ATOM 6949 HZ PHE A 463 155.956 187.670 181.126 1.00 59.19 H +ATOM 6950 N ASN A 464 151.854 192.881 180.479 1.00 45.66 N +ATOM 6951 CA ASN A 464 152.758 193.807 179.807 1.00 48.20 C +ATOM 6952 C ASN A 464 152.976 195.090 180.600 1.00 48.46 C +ATOM 6953 O ASN A 464 154.028 195.713 180.487 1.00 44.33 O +ATOM 6954 CB ASN A 464 152.234 194.150 178.406 1.00 66.61 C +ATOM 6955 CG ASN A 464 152.844 193.279 177.313 1.00 50.81 C +ATOM 6956 OD1 ASN A 464 153.853 192.606 177.520 1.00 42.96 O +ATOM 6957 ND2 ASN A 464 152.234 193.307 176.132 1.00 75.97 N +ATOM 6958 H ASN A 464 151.073 192.827 180.123 1.00 54.79 H +ATOM 6959 HA ASN A 464 153.620 193.376 179.701 1.00 57.84 H +ATOM 6960 HB2 ASN A 464 151.273 194.022 178.389 1.00 79.93 H +ATOM 6961 HB3 ASN A 464 152.449 195.074 178.207 1.00 79.93 H +ATOM 6962 HD21 ASN A 464 152.536 192.834 175.480 1.00 91.16 H +ATOM 6963 HD22 ASN A 464 151.536 193.797 176.020 1.00 91.16 H +ATOM 6964 N GLU A 465 151.990 195.493 181.394 1.00 46.38 N +ATOM 6965 CA GLU A 465 152.154 196.667 182.242 1.00 41.90 C +ATOM 6966 C GLU A 465 153.198 196.383 183.313 1.00 45.75 C +ATOM 6967 O GLU A 465 153.968 197.266 183.692 1.00 43.43 O +ATOM 6968 CB GLU A 465 150.827 197.075 182.891 1.00 41.22 C +ATOM 6969 CG GLU A 465 149.797 197.647 181.921 1.00 48.81 C +ATOM 6970 CD GLU A 465 150.335 198.806 181.103 1.00 54.57 C +ATOM 6971 OE1 GLU A 465 150.740 199.824 181.697 1.00 48.23 O +ATOM 6972 OE2 GLU A 465 150.360 198.692 179.860 1.00 73.78 O +ATOM 6973 H GLU A 465 151.224 195.109 181.460 1.00 55.65 H +ATOM 6974 HA GLU A 465 152.468 197.409 181.702 1.00 50.28 H +ATOM 6975 HB2 GLU A 465 150.434 196.294 183.310 1.00 49.46 H +ATOM 6976 HB3 GLU A 465 151.006 197.752 183.563 1.00 49.46 H +ATOM 6977 HG2 GLU A 465 149.520 196.950 181.306 1.00 58.57 H +ATOM 6978 HG3 GLU A 465 149.032 197.967 182.425 1.00 58.57 H +ATOM 6979 N TYR A 466 153.226 195.142 183.788 1.00 44.10 N +ATOM 6980 CA TYR A 466 154.187 194.737 184.803 1.00 43.13 C +ATOM 6981 C TYR A 466 155.576 194.556 184.205 1.00 45.68 C +ATOM 6982 O TYR A 466 156.581 194.726 184.896 1.00 44.69 O +ATOM 6983 CB TYR A 466 153.728 193.450 185.494 1.00 39.61 C +ATOM 6984 CG TYR A 466 152.782 193.724 186.637 1.00 43.88 C +ATOM 6985 CD1 TYR A 466 153.252 194.259 187.826 1.00 33.24 C +ATOM 6986 CD2 TYR A 466 151.421 193.474 186.521 1.00 41.94 C +ATOM 6987 CE1 TYR A 466 152.399 194.531 188.865 1.00 37.87 C +ATOM 6988 CE2 TYR A 466 150.559 193.741 187.563 1.00 37.24 C +ATOM 6989 CZ TYR A 466 151.055 194.269 188.734 1.00 38.53 C +ATOM 6990 OH TYR A 466 150.210 194.540 189.781 1.00 34.25 O +ATOM 6991 H TYR A 466 152.695 194.514 183.537 1.00 52.92 H +ATOM 6992 HA TYR A 466 154.243 195.433 185.477 1.00 51.76 H +ATOM 6993 HB2 TYR A 466 153.268 192.890 184.849 1.00 47.53 H +ATOM 6994 HB3 TYR A 466 154.502 192.986 185.848 1.00 47.53 H +ATOM 6995 HD1 TYR A 466 154.159 194.440 187.920 1.00 39.88 H +ATOM 6996 HD2 TYR A 466 151.086 193.119 185.729 1.00 50.33 H +ATOM 6997 HE1 TYR A 466 152.730 194.885 189.659 1.00 45.44 H +ATOM 6998 HE2 TYR A 466 149.650 193.566 187.475 1.00 44.69 H +ATOM 6999 HH TYR A 466 150.645 194.856 190.426 1.00 41.11 H +ATOM 7000 N ARG A 467 155.632 194.214 182.921 1.00 49.90 N +ATOM 7001 CA ARG A 467 156.904 194.160 182.213 1.00 44.48 C +ATOM 7002 C ARG A 467 157.540 195.544 182.213 1.00 47.33 C +ATOM 7003 O ARG A 467 158.692 195.709 182.616 1.00 49.15 O +ATOM 7004 CB ARG A 467 156.718 193.672 180.775 1.00 46.92 C +ATOM 7005 CG ARG A 467 156.170 192.251 180.644 1.00 58.31 C +ATOM 7006 CD ARG A 467 157.259 191.219 180.384 1.00 52.03 C +ATOM 7007 NE ARG A 467 158.124 191.576 179.262 1.00 49.18 N +ATOM 7008 CZ ARG A 467 159.230 190.916 178.932 1.00 52.88 C +ATOM 7009 NH1 ARG A 467 159.958 191.316 177.901 1.00 51.13 N +ATOM 7010 NH2 ARG A 467 159.612 189.856 179.631 1.00 51.70 N +ATOM 7011 H ARG A 467 154.950 194.010 182.440 1.00 59.89 H +ATOM 7012 HA ARG A 467 157.501 193.548 182.669 1.00 53.37 H +ATOM 7013 HB2 ARG A 467 156.098 194.267 180.324 1.00 56.31 H +ATOM 7014 HB3 ARG A 467 157.578 193.697 180.327 1.00 56.31 H +ATOM 7015 HG2 ARG A 467 155.719 192.010 181.468 1.00 69.97 H +ATOM 7016 HG3 ARG A 467 155.545 192.221 179.903 1.00 69.97 H +ATOM 7017 HD2 ARG A 467 157.813 191.139 181.176 1.00 62.44 H +ATOM 7018 HD3 ARG A 467 156.843 190.366 180.182 1.00 62.44 H +ATOM 7019 HE ARG A 467 157.904 192.256 178.785 1.00 59.02 H +ATOM 7020 HH11 ARG A 467 159.714 192.002 177.443 1.00 61.36 H +ATOM 7021 HH12 ARG A 467 160.671 190.887 177.687 1.00 61.36 H +ATOM 7022 HH21 ARG A 467 159.145 189.593 180.303 1.00 62.04 H +ATOM 7023 HH22 ARG A 467 160.328 189.433 179.413 1.00 62.04 H +ATOM 7024 N LYS A 468 156.775 196.536 181.765 1.00 50.52 N +ATOM 7025 CA LYS A 468 157.262 197.907 181.675 1.00 55.99 C +ATOM 7026 C LYS A 468 157.663 198.440 183.048 1.00 51.60 C +ATOM 7027 O LYS A 468 158.624 199.198 183.169 1.00 49.13 O +ATOM 7028 CB LYS A 468 156.198 198.815 181.046 1.00 50.85 C +ATOM 7029 CG LYS A 468 155.865 198.467 179.599 1.00 53.99 C +ATOM 7030 CD LYS A 468 155.104 199.583 178.889 1.00 59.30 C +ATOM 7031 CE LYS A 468 153.623 199.585 179.238 1.00 65.85 C +ATOM 7032 NZ LYS A 468 152.872 200.603 178.446 1.00 69.89 N +ATOM 7033 H LYS A 468 155.962 196.438 181.504 1.00 60.63 H +ATOM 7034 HA LYS A 468 158.047 197.927 181.106 1.00 67.19 H +ATOM 7035 HB2 LYS A 468 155.381 198.743 181.563 1.00 61.02 H +ATOM 7036 HB3 LYS A 468 156.519 199.730 181.064 1.00 61.02 H +ATOM 7037 HG2 LYS A 468 156.690 198.309 179.113 1.00 64.79 H +ATOM 7038 HG3 LYS A 468 155.313 197.669 179.584 1.00 64.79 H +ATOM 7039 HD2 LYS A 468 155.477 200.438 179.152 1.00 71.16 H +ATOM 7040 HD3 LYS A 468 155.187 199.464 177.930 1.00 71.16 H +ATOM 7041 HE2 LYS A 468 153.248 198.712 179.043 1.00 79.02 H +ATOM 7042 HE3 LYS A 468 153.517 199.794 180.179 1.00 79.02 H +ATOM 7043 HZ1 LYS A 468 152.010 200.584 178.668 1.00 83.87 H +ATOM 7044 HZ2 LYS A 468 153.196 201.415 178.611 1.00 83.87 H +ATOM 7045 HZ3 LYS A 468 152.951 200.430 177.577 1.00 83.87 H +ATOM 7046 N ARG A 469 156.927 198.033 184.077 1.00 51.62 N +ATOM 7047 CA ARG A 469 157.186 198.491 185.439 1.00 50.43 C +ATOM 7048 C ARG A 469 158.562 198.046 185.927 1.00 45.13 C +ATOM 7049 O ARG A 469 159.181 198.715 186.750 1.00 40.69 O +ATOM 7050 CB ARG A 469 156.099 197.975 186.384 1.00 52.71 C +ATOM 7051 CG ARG A 469 156.379 198.178 187.872 1.00 51.61 C +ATOM 7052 CD ARG A 469 156.569 199.643 188.238 1.00 47.65 C +ATOM 7053 NE ARG A 469 156.641 199.823 189.684 1.00 45.34 N +ATOM 7054 CZ ARG A 469 157.738 199.643 190.414 1.00 53.44 C +ATOM 7055 NH1 ARG A 469 158.879 199.277 189.842 1.00 46.59 N +ATOM 7056 NH2 ARG A 469 157.695 199.829 191.726 1.00 54.31 N +ATOM 7057 H ARG A 469 156.265 197.487 184.012 1.00 61.94 H +ATOM 7058 HA ARG A 469 157.162 199.461 185.456 1.00 60.51 H +ATOM 7059 HB2 ARG A 469 155.269 198.434 186.178 1.00 63.25 H +ATOM 7060 HB3 ARG A 469 155.988 197.023 186.235 1.00 63.25 H +ATOM 7061 HG2 ARG A 469 155.630 197.835 188.385 1.00 61.94 H +ATOM 7062 HG3 ARG A 469 157.190 197.702 188.109 1.00 61.94 H +ATOM 7063 HD2 ARG A 469 157.396 199.966 187.849 1.00 57.18 H +ATOM 7064 HD3 ARG A 469 155.817 200.157 187.904 1.00 57.18 H +ATOM 7065 HE ARG A 469 155.924 200.063 190.093 1.00 54.40 H +ATOM 7066 HH11 ARG A 469 158.913 199.153 188.992 1.00 55.91 H +ATOM 7067 HH12 ARG A 469 159.583 199.163 190.322 1.00 55.91 H +ATOM 7068 HH21 ARG A 469 156.959 200.067 192.103 1.00 65.17 H +ATOM 7069 HH22 ARG A 469 158.403 199.715 192.201 1.00 65.17 H +ATOM 7070 N PHE A 470 159.035 196.917 185.414 1.00 45.61 N +ATOM 7071 CA PHE A 470 160.348 196.400 185.782 1.00 42.10 C +ATOM 7072 C PHE A 470 161.305 196.473 184.592 1.00 48.28 C +ATOM 7073 O PHE A 470 162.208 195.649 184.444 1.00 33.12 O +ATOM 7074 CB PHE A 470 160.214 194.978 186.325 1.00 41.40 C +ATOM 7075 CG PHE A 470 159.578 194.926 187.685 1.00 48.45 C +ATOM 7076 CD1 PHE A 470 158.206 194.803 187.821 1.00 46.45 C +ATOM 7077 CD2 PHE A 470 160.351 195.038 188.829 1.00 44.23 C +ATOM 7078 CE1 PHE A 470 157.620 194.772 189.069 1.00 39.17 C +ATOM 7079 CE2 PHE A 470 159.770 195.007 190.079 1.00 47.05 C +ATOM 7080 CZ PHE A 470 158.402 194.875 190.199 1.00 43.99 C +ATOM 7081 H PHE A 470 158.613 196.428 184.846 1.00 54.74 H +ATOM 7082 HA PHE A 470 160.714 196.954 186.490 1.00 50.52 H +ATOM 7083 HB2 PHE A 470 159.665 194.459 185.718 1.00 49.67 H +ATOM 7084 HB3 PHE A 470 161.097 194.582 186.393 1.00 49.67 H +ATOM 7085 HD1 PHE A 470 157.673 194.733 187.061 1.00 55.74 H +ATOM 7086 HD2 PHE A 470 161.273 195.128 188.753 1.00 53.08 H +ATOM 7087 HE1 PHE A 470 156.698 194.682 189.148 1.00 47.00 H +ATOM 7088 HE2 PHE A 470 160.300 195.076 190.840 1.00 56.46 H +ATOM 7089 HZ PHE A 470 158.008 194.852 191.042 1.00 52.79 H +ATOM 7090 N MET A 471 161.086 197.487 183.757 1.00 53.56 N +ATOM 7091 CA MET A 471 162.016 197.869 182.696 1.00 49.10 C +ATOM 7092 C MET A 471 162.267 196.752 181.686 1.00 37.88 C +ATOM 7093 O MET A 471 163.402 196.524 181.266 1.00 46.82 O +ATOM 7094 CB MET A 471 163.341 198.332 183.308 1.00 44.11 C +ATOM 7095 CG MET A 471 163.228 199.645 184.076 1.00 40.71 C +ATOM 7096 SD MET A 471 164.792 200.214 184.775 1.00 58.75 S +ATOM 7097 CE MET A 471 165.791 200.406 183.300 1.00 96.41 C +ATOM 7098 H MET A 471 160.384 197.984 183.787 1.00 64.27 H +ATOM 7099 HA MET A 471 161.639 198.626 182.221 1.00 58.92 H +ATOM 7100 HB2 MET A 471 163.656 197.653 183.924 1.00 52.93 H +ATOM 7101 HB3 MET A 471 163.988 198.458 182.597 1.00 52.93 H +ATOM 7102 HG2 MET A 471 162.904 200.333 183.474 1.00 48.85 H +ATOM 7103 HG3 MET A 471 162.602 199.526 184.807 1.00 48.85 H +ATOM 7104 HE1 MET A 471 166.674 200.715 183.555 1.00115.69 H +ATOM 7105 HE2 MET A 471 165.857 199.549 182.850 1.00115.69 H +ATOM 7106 HE3 MET A 471 165.369 201.056 182.716 1.00115.69 H +ATOM 7107 N LEU A 472 161.197 196.070 181.292 1.00 38.02 N +ATOM 7108 CA LEU A 472 161.263 195.076 180.228 1.00 46.20 C +ATOM 7109 C LEU A 472 160.447 195.538 179.029 1.00 41.11 C +ATOM 7110 O LEU A 472 159.442 196.230 179.181 1.00 41.48 O +ATOM 7111 CB LEU A 472 160.749 193.720 180.714 1.00 44.25 C +ATOM 7112 CG LEU A 472 161.305 193.215 182.047 1.00 44.86 C +ATOM 7113 CD1 LEU A 472 160.645 191.897 182.415 1.00 42.68 C +ATOM 7114 CD2 LEU A 472 162.815 193.067 181.984 1.00 42.65 C +ATOM 7115 H LEU A 472 160.413 196.166 181.630 1.00 45.62 H +ATOM 7116 HA LEU A 472 162.185 194.969 179.946 1.00 55.44 H +ATOM 7117 HB2 LEU A 472 159.786 193.777 180.808 1.00 53.10 H +ATOM 7118 HB3 LEU A 472 160.967 193.055 180.042 1.00 53.10 H +ATOM 7119 HG LEU A 472 161.096 193.859 182.741 1.00 53.83 H +ATOM 7120 HD11 LEU A 472 161.006 191.588 183.260 1.00 51.22 H +ATOM 7121 HD12 LEU A 472 159.688 192.034 182.494 1.00 51.22 H +ATOM 7122 HD13 LEU A 472 160.830 191.246 181.719 1.00 51.22 H +ATOM 7123 HD21 LEU A 472 163.137 192.746 182.841 1.00 51.18 H +ATOM 7124 HD22 LEU A 472 163.041 192.432 181.286 1.00 51.18 H +ATOM 7125 HD23 LEU A 472 163.209 193.931 181.785 1.00 51.18 H +ATOM 7126 N LYS A 473 160.892 195.157 177.839 1.00 48.65 N +ATOM 7127 CA LYS A 473 160.140 195.424 176.621 1.00 46.11 C +ATOM 7128 C LYS A 473 158.836 194.626 176.651 1.00 44.14 C +ATOM 7129 O LYS A 473 158.860 193.419 176.882 1.00 47.74 O +ATOM 7130 CB LYS A 473 160.965 195.045 175.388 1.00 48.76 C +ATOM 7131 CG LYS A 473 160.853 196.019 174.228 1.00 63.34 C +ATOM 7132 CD LYS A 473 161.819 195.655 173.106 1.00 83.26 C +ATOM 7133 CE LYS A 473 161.395 194.389 172.370 1.00 85.59 C +ATOM 7134 NZ LYS A 473 160.147 194.589 171.583 1.00 90.25 N +ATOM 7135 H LYS A 473 161.633 194.740 177.708 1.00 58.38 H +ATOM 7136 HA LYS A 473 159.924 196.368 176.571 1.00 55.33 H +ATOM 7137 HB2 LYS A 473 161.900 194.998 175.644 1.00 58.51 H +ATOM 7138 HB3 LYS A 473 160.670 194.177 175.073 1.00 58.51 H +ATOM 7139 HG2 LYS A 473 159.951 195.994 173.873 1.00 76.01 H +ATOM 7140 HG3 LYS A 473 161.069 196.913 174.537 1.00 76.01 H +ATOM 7141 HD2 LYS A 473 161.850 196.381 172.464 1.00 99.91 H +ATOM 7142 HD3 LYS A 473 162.701 195.504 173.481 1.00 99.91 H +ATOM 7143 HE2 LYS A 473 162.099 194.126 171.758 1.00102.71 H +ATOM 7144 HE3 LYS A 473 161.234 193.684 173.017 1.00102.71 H +ATOM 7145 HZ1 LYS A 473 159.926 193.834 171.166 1.00108.30 H +ATOM 7146 HZ2 LYS A 473 159.481 194.826 172.124 1.00108.30 H +ATOM 7147 HZ3 LYS A 473 160.269 195.229 170.976 1.00108.30 H +ATOM 7148 N PRO A 474 157.687 195.289 176.440 1.00 43.30 N +ATOM 7149 CA PRO A 474 156.452 194.496 176.378 1.00 46.42 C +ATOM 7150 C PRO A 474 156.434 193.546 175.183 1.00 55.34 C +ATOM 7151 O PRO A 474 157.036 193.845 174.153 1.00 73.51 O +ATOM 7152 CB PRO A 474 155.352 195.558 176.256 1.00 45.47 C +ATOM 7153 CG PRO A 474 156.043 196.797 175.795 1.00 46.16 C +ATOM 7154 CD PRO A 474 157.423 196.735 176.355 1.00 43.61 C +ATOM 7155 HA PRO A 474 156.329 193.992 177.198 1.00 55.71 H +ATOM 7156 HB2 PRO A 474 154.693 195.271 175.605 1.00 54.56 H +ATOM 7157 HB3 PRO A 474 154.938 195.699 177.122 1.00 54.56 H +ATOM 7158 HG2 PRO A 474 156.069 196.811 174.826 1.00 55.39 H +ATOM 7159 HG3 PRO A 474 155.573 197.575 176.134 1.00 55.39 H +ATOM 7160 HD2 PRO A 474 158.053 197.159 175.751 1.00 52.34 H +ATOM 7161 HD3 PRO A 474 157.449 197.137 177.238 1.00 52.34 H +ATOM 7162 N TYR A 475 155.759 192.411 175.328 1.00 63.33 N +ATOM 7163 CA TYR A 475 155.658 191.438 174.245 1.00 68.94 C +ATOM 7164 C TYR A 475 154.663 191.913 173.190 1.00 80.49 C +ATOM 7165 O TYR A 475 153.557 192.344 173.517 1.00 67.83 O +ATOM 7166 CB TYR A 475 155.245 190.068 174.788 1.00 62.75 C +ATOM 7167 CG TYR A 475 156.361 189.326 175.494 1.00 65.60 C +ATOM 7168 CD1 TYR A 475 157.435 188.815 174.782 1.00 68.10 C +ATOM 7169 CD2 TYR A 475 156.333 189.128 176.868 1.00 69.61 C +ATOM 7170 CE1 TYR A 475 158.456 188.134 175.417 1.00 72.61 C +ATOM 7171 CE2 TYR A 475 157.352 188.446 177.513 1.00 66.78 C +ATOM 7172 CZ TYR A 475 158.410 187.952 176.781 1.00 68.64 C +ATOM 7173 OH TYR A 475 159.426 187.273 177.413 1.00 66.12 O +ATOM 7174 H TYR A 475 155.348 192.179 176.047 1.00 75.99 H +ATOM 7175 HA TYR A 475 156.525 191.345 173.821 1.00 82.73 H +ATOM 7176 HB2 TYR A 475 154.522 190.189 175.423 1.00 75.30 H +ATOM 7177 HB3 TYR A 475 154.945 189.517 174.049 1.00 75.30 H +ATOM 7178 HD1 TYR A 475 157.471 188.936 173.860 1.00 81.72 H +ATOM 7179 HD2 TYR A 475 155.621 189.461 177.364 1.00 83.54 H +ATOM 7180 HE1 TYR A 475 159.171 187.799 174.925 1.00 87.14 H +ATOM 7181 HE2 TYR A 475 157.322 188.323 178.434 1.00 80.13 H +ATOM 7182 HH TYR A 475 159.275 187.234 178.239 1.00 79.35 H +ATOM 7183 N GLU A 476 155.064 191.826 171.925 1.00 96.52 N +ATOM 7184 CA GLU A 476 154.254 192.328 170.817 1.00 81.91 C +ATOM 7185 C GLU A 476 153.341 191.260 170.220 1.00 62.40 C +ATOM 7186 O GLU A 476 152.556 191.548 169.316 1.00 62.06 O +ATOM 7187 CB GLU A 476 155.160 192.897 169.723 1.00 77.13 C +ATOM 7188 CG GLU A 476 155.922 194.144 170.141 1.00 85.04 C +ATOM 7189 CD GLU A 476 156.911 194.603 169.091 1.00 95.13 C +ATOM 7190 OE1 GLU A 476 156.614 194.459 167.887 1.00100.38 O +ATOM 7191 OE2 GLU A 476 157.990 195.105 169.469 1.00 95.00 O +ATOM 7192 H GLU A 476 155.810 191.476 171.679 1.00115.83 H +ATOM 7193 HA GLU A 476 153.693 193.049 171.143 1.00 98.29 H +ATOM 7194 HB2 GLU A 476 155.810 192.222 169.473 1.00 92.56 H +ATOM 7195 HB3 GLU A 476 154.614 193.128 168.955 1.00 92.56 H +ATOM 7196 HG2 GLU A 476 155.290 194.864 170.295 1.00102.05 H +ATOM 7197 HG3 GLU A 476 156.414 193.955 170.955 1.00102.05 H +ATOM 7198 N SER A 477 153.442 190.032 170.716 1.00 64.39 N +ATOM 7199 CA SER A 477 152.598 188.948 170.224 1.00 66.39 C +ATOM 7200 C SER A 477 152.624 187.753 171.167 1.00 63.44 C +ATOM 7201 O SER A 477 153.504 187.636 172.018 1.00 66.84 O +ATOM 7202 CB SER A 477 153.043 188.509 168.829 1.00 66.78 C +ATOM 7203 OG SER A 477 154.242 187.758 168.893 1.00 65.61 O +ATOM 7204 H SER A 477 153.990 189.800 171.337 1.00 77.26 H +ATOM 7205 HA SER A 477 151.683 189.262 170.163 1.00 79.66 H +ATOM 7206 HB2 SER A 477 152.347 187.961 168.433 1.00 80.13 H +ATOM 7207 HB3 SER A 477 153.194 189.298 168.284 1.00 80.13 H +ATOM 7208 HG SER A 477 154.475 187.523 168.121 1.00 78.73 H +ATOM 7209 N PHE A 478 151.652 186.864 171.000 1.00 59.43 N +ATOM 7210 CA PHE A 478 151.540 185.678 171.836 1.00 58.05 C +ATOM 7211 C PHE A 478 152.661 184.692 171.539 1.00 58.38 C +ATOM 7212 O PHE A 478 153.026 183.880 172.388 1.00 69.60 O +ATOM 7213 CB PHE A 478 150.181 185.010 171.625 1.00 58.33 C +ATOM 7214 CG PHE A 478 149.016 185.918 171.889 1.00 70.76 C +ATOM 7215 CD1 PHE A 478 148.429 185.965 173.141 1.00 62.96 C +ATOM 7216 CD2 PHE A 478 148.513 186.731 170.886 1.00 69.70 C +ATOM 7217 CE1 PHE A 478 147.358 186.801 173.388 1.00 73.88 C +ATOM 7218 CE2 PHE A 478 147.442 187.569 171.128 1.00 71.25 C +ATOM 7219 CZ PHE A 478 146.866 187.604 172.381 1.00 77.41 C +ATOM 7220 H PHE A 478 151.038 186.926 170.401 1.00 71.32 H +ATOM 7221 HA PHE A 478 151.606 185.939 172.768 1.00 69.66 H +ATOM 7222 HB2 PHE A 478 150.120 184.708 170.705 1.00 69.99 H +ATOM 7223 HB3 PHE A 478 150.108 184.251 172.226 1.00 69.99 H +ATOM 7224 HD1 PHE A 478 148.757 185.425 173.823 1.00 75.55 H +ATOM 7225 HD2 PHE A 478 148.899 186.710 170.040 1.00 83.64 H +ATOM 7226 HE1 PHE A 478 146.971 186.823 174.233 1.00 88.65 H +ATOM 7227 HE2 PHE A 478 147.111 188.110 170.448 1.00 85.51 H +ATOM 7228 HZ PHE A 478 146.144 188.168 172.547 1.00 92.89 H +ATOM 7229 N GLU A 479 153.208 184.773 170.331 1.00 67.36 N +ATOM 7230 CA GLU A 479 154.262 183.860 169.904 1.00 73.07 C +ATOM 7231 C GLU A 479 155.609 184.287 170.475 1.00 69.28 C +ATOM 7232 O GLU A 479 156.420 183.448 170.868 1.00 61.65 O +ATOM 7233 CB GLU A 479 154.322 183.798 168.376 1.00 83.31 C +ATOM 7234 CG GLU A 479 154.365 182.385 167.820 1.00 86.66 C +ATOM 7235 CD GLU A 479 153.917 182.311 166.374 1.00 87.21 C +ATOM 7236 OE1 GLU A 479 152.741 181.965 166.137 1.00 87.07 O +ATOM 7237 OE2 GLU A 479 154.739 182.595 165.477 1.00 88.99 O +ATOM 7238 H GLU A 479 152.985 185.351 169.736 1.00 80.84 H +ATOM 7239 HA GLU A 479 154.063 182.970 170.234 1.00 87.69 H +ATOM 7240 HB2 GLU A 479 153.535 184.235 168.015 1.00 99.98 H +ATOM 7241 HB3 GLU A 479 155.120 184.259 168.076 1.00 99.98 H +ATOM 7242 HG2 GLU A 479 155.275 182.053 167.870 1.00104.00 H +ATOM 7243 HG3 GLU A 479 153.776 181.821 168.346 1.00104.00 H +ATOM 7244 N GLU A 480 155.842 185.594 170.520 1.00 72.39 N +ATOM 7245 CA GLU A 480 157.051 186.136 171.129 1.00 72.89 C +ATOM 7246 C GLU A 480 157.093 185.782 172.611 1.00 71.08 C +ATOM 7247 O GLU A 480 158.159 185.538 173.174 1.00 60.40 O +ATOM 7248 CB GLU A 480 157.114 187.654 170.944 1.00 64.84 C +ATOM 7249 CG GLU A 480 158.397 188.297 171.451 1.00 68.41 C +ATOM 7250 CD GLU A 480 158.349 189.812 171.391 1.00 74.33 C +ATOM 7251 OE1 GLU A 480 157.470 190.351 170.687 1.00 77.38 O +ATOM 7252 OE2 GLU A 480 159.186 190.464 172.051 1.00 77.66 O +ATOM 7253 H GLU A 480 155.312 186.192 170.203 1.00 86.87 H +ATOM 7254 HA GLU A 480 157.828 185.745 170.700 1.00 87.47 H +ATOM 7255 HB2 GLU A 480 157.037 187.855 169.999 1.00 77.80 H +ATOM 7256 HB3 GLU A 480 156.373 188.056 171.425 1.00 77.80 H +ATOM 7257 HG2 GLU A 480 158.538 188.037 172.375 1.00 82.09 H +ATOM 7258 HG3 GLU A 480 159.140 187.997 170.904 1.00 82.09 H +ATOM 7259 N LEU A 481 155.919 185.753 173.231 1.00 68.65 N +ATOM 7260 CA LEU A 481 155.799 185.426 174.646 1.00 56.85 C +ATOM 7261 C LEU A 481 156.151 183.965 174.907 1.00 55.79 C +ATOM 7262 O LEU A 481 157.046 183.668 175.698 1.00 54.39 O +ATOM 7263 CB LEU A 481 154.378 185.730 175.137 1.00 51.46 C +ATOM 7264 CG LEU A 481 153.919 185.125 176.469 1.00 59.85 C +ATOM 7265 CD1 LEU A 481 154.909 185.395 177.590 1.00 60.04 C +ATOM 7266 CD2 LEU A 481 152.550 185.670 176.837 1.00 53.72 C +ATOM 7267 H LEU A 481 155.167 185.921 172.849 1.00 82.38 H +ATOM 7268 HA LEU A 481 156.415 185.979 175.151 1.00 68.21 H +ATOM 7269 HB2 LEU A 481 154.295 186.693 175.223 1.00 61.75 H +ATOM 7270 HB3 LEU A 481 153.758 185.420 174.459 1.00 61.75 H +ATOM 7271 HG LEU A 481 153.840 184.163 176.366 1.00 71.82 H +ATOM 7272 HD11 LEU A 481 154.575 184.994 178.408 1.00 72.04 H +ATOM 7273 HD12 LEU A 481 155.766 185.006 177.356 1.00 72.04 H +ATOM 7274 HD13 LEU A 481 155.000 186.354 177.705 1.00 72.04 H +ATOM 7275 HD21 LEU A 481 152.271 185.280 177.680 1.00 64.47 H +ATOM 7276 HD22 LEU A 481 152.607 186.635 176.921 1.00 64.47 H +ATOM 7277 HD23 LEU A 481 151.919 185.436 176.138 1.00 64.47 H +ATOM 7278 N THR A 482 155.457 183.056 174.232 1.00 54.26 N +ATOM 7279 CA THR A 482 155.617 181.631 174.493 1.00 58.42 C +ATOM 7280 C THR A 482 156.773 181.019 173.698 1.00 60.84 C +ATOM 7281 O THR A 482 157.258 179.941 174.038 1.00 57.19 O +ATOM 7282 CB THR A 482 154.326 180.857 174.165 1.00 60.81 C +ATOM 7283 OG1 THR A 482 154.147 180.793 172.745 1.00 75.54 O +ATOM 7284 CG2 THR A 482 153.117 181.530 174.807 1.00 58.19 C +ATOM 7285 H THR A 482 154.885 183.239 173.617 1.00 65.11 H +ATOM 7286 HA THR A 482 155.807 181.506 175.436 1.00 70.11 H +ATOM 7287 HB THR A 482 154.396 179.956 174.519 1.00 72.97 H +ATOM 7288 HG1 THR A 482 153.443 180.371 172.563 1.00 90.65 H +ATOM 7289 HG21 THR A 482 152.310 181.035 174.594 1.00 69.83 H +ATOM 7290 HG22 THR A 482 153.225 181.557 175.771 1.00 69.83 H +ATOM 7291 HG23 THR A 482 153.027 182.437 174.474 1.00 69.83 H +ATOM 7292 N GLY A 483 157.215 181.710 172.649 1.00 64.98 N +ATOM 7293 CA GLY A 483 158.278 181.204 171.794 1.00 67.46 C +ATOM 7294 C GLY A 483 157.882 179.863 171.208 1.00 69.98 C +ATOM 7295 O GLY A 483 158.705 178.960 171.057 1.00 71.19 O +ATOM 7296 H GLY A 483 156.911 182.479 172.411 1.00 77.98 H +ATOM 7297 HA2 GLY A 483 158.446 181.828 171.071 1.00 80.95 H +ATOM 7298 HA3 GLY A 483 159.093 181.094 172.310 1.00 80.95 H +ATOM 7299 N GLU A 484 156.605 179.757 170.860 1.00 68.21 N +ATOM 7300 CA GLU A 484 155.978 178.480 170.575 1.00 63.67 C +ATOM 7301 C GLU A 484 154.644 178.767 169.871 1.00 75.56 C +ATOM 7302 O GLU A 484 154.219 179.919 169.827 1.00 71.14 O +ATOM 7303 CB GLU A 484 155.825 177.692 171.888 1.00 65.36 C +ATOM 7304 CG GLU A 484 154.824 176.555 171.899 1.00 72.16 C +ATOM 7305 CD GLU A 484 153.428 177.006 172.263 1.00 75.60 C +ATOM 7306 OE1 GLU A 484 152.568 176.127 172.454 1.00 78.23 O +ATOM 7307 OE2 GLU A 484 153.187 178.227 172.368 1.00 75.74 O +ATOM 7308 H GLU A 484 156.072 180.427 170.782 1.00 81.85 H +ATOM 7309 HA GLU A 484 156.541 177.969 169.973 1.00 76.40 H +ATOM 7310 HB2 GLU A 484 156.689 177.314 172.115 1.00 78.43 H +ATOM 7311 HB3 GLU A 484 155.557 178.314 172.583 1.00 78.43 H +ATOM 7312 HG2 GLU A 484 154.790 176.156 171.015 1.00 86.59 H +ATOM 7313 HG3 GLU A 484 155.105 175.893 172.550 1.00 86.59 H +ATOM 7314 N LYS A 485 154.002 177.750 169.300 1.00 85.35 N +ATOM 7315 CA LYS A 485 152.846 177.971 168.426 1.00 78.17 C +ATOM 7316 C LYS A 485 151.492 177.511 168.985 1.00 72.35 C +ATOM 7317 O LYS A 485 150.471 178.149 168.720 1.00 70.96 O +ATOM 7318 CB LYS A 485 153.095 177.274 167.084 1.00 81.02 C +ATOM 7319 CG LYS A 485 154.222 177.911 166.283 1.00 79.30 C +ATOM 7320 CD LYS A 485 153.745 178.295 164.891 1.00 74.25 C +ATOM 7321 CE LYS A 485 154.678 179.305 164.235 1.00 75.71 C +ATOM 7322 NZ LYS A 485 153.974 180.083 163.174 1.00 76.23 N +ATOM 7323 H LYS A 485 154.214 176.922 169.401 1.00102.42 H +ATOM 7324 HA LYS A 485 152.776 178.922 168.250 1.00 93.80 H +ATOM 7325 N GLU A 486 151.467 176.420 169.750 1.00 76.03 N +ATOM 7326 CA GLU A 486 150.197 175.881 170.237 1.00 76.82 C +ATOM 7327 C GLU A 486 149.545 176.779 171.291 1.00 74.21 C +ATOM 7328 O GLU A 486 148.428 177.260 171.103 1.00 71.22 O +ATOM 7329 CB GLU A 486 150.389 174.477 170.817 1.00 80.18 C +ATOM 7330 CG GLU A 486 151.063 173.498 169.872 1.00 85.78 C +ATOM 7331 CD GLU A 486 150.813 172.051 170.254 1.00100.43 C +ATOM 7332 OE1 GLU A 486 150.370 171.800 171.396 1.00 84.57 O +ATOM 7333 OE2 GLU A 486 151.055 171.164 169.408 1.00 94.05 O +ATOM 7334 H GLU A 486 152.162 175.978 169.998 1.00 91.24 H +ATOM 7335 HA GLU A 486 149.583 175.810 169.490 1.00 92.18 H +ATOM 7336 HB2 GLU A 486 150.938 174.543 171.614 1.00 96.22 H +ATOM 7337 HB3 GLU A 486 149.520 174.114 171.047 1.00 96.22 H +ATOM 7338 HG2 GLU A 486 150.718 173.635 168.976 1.00102.93 H +ATOM 7339 HG3 GLU A 486 152.020 173.652 169.887 1.00102.93 H +ATOM 7340 N MET A 487 150.244 176.986 172.404 1.00 80.56 N +ATOM 7341 CA MET A 487 149.735 177.801 173.501 1.00 77.76 C +ATOM 7342 C MET A 487 149.515 179.252 173.088 1.00 70.71 C +ATOM 7343 O MET A 487 148.559 179.891 173.530 1.00 67.87 O +ATOM 7344 CB MET A 487 150.697 177.750 174.687 1.00 79.52 C +ATOM 7345 CG MET A 487 150.889 176.363 175.280 1.00 79.75 C +ATOM 7346 SD MET A 487 151.966 176.377 176.725 1.00 70.27 S +ATOM 7347 CE MET A 487 153.471 177.055 176.030 1.00 73.08 C +ATOM 7348 H MET A 487 151.027 176.662 172.548 1.00 96.68 H +ATOM 7349 HA MET A 487 148.888 177.430 173.794 1.00 93.31 H +ATOM 7350 HB2 MET A 487 151.566 178.069 174.395 1.00 95.43 H +ATOM 7351 HB3 MET A 487 150.356 178.326 175.389 1.00 95.43 H +ATOM 7352 HG2 MET A 487 150.027 176.012 175.551 1.00 95.70 H +ATOM 7353 HG3 MET A 487 151.290 175.785 174.612 1.00 95.70 H +ATOM 7354 HE1 MET A 487 153.781 176.472 175.320 1.00 87.70 H +ATOM 7355 HE2 MET A 487 153.285 177.938 175.676 1.00 87.70 H +ATOM 7356 HE3 MET A 487 154.143 177.112 176.728 1.00 87.70 H +ATOM 7357 N SER A 488 150.409 179.776 172.255 1.00 60.74 N +ATOM 7358 CA SER A 488 150.273 181.140 171.756 1.00 68.92 C +ATOM 7359 C SER A 488 148.944 181.300 171.032 1.00 67.38 C +ATOM 7360 O SER A 488 148.260 182.312 171.180 1.00 65.54 O +ATOM 7361 CB SER A 488 151.428 181.495 170.823 1.00 70.18 C +ATOM 7362 OG SER A 488 151.567 180.528 169.798 1.00 75.63 O +ATOM 7363 H SER A 488 151.105 179.362 171.964 1.00 72.88 H +ATOM 7364 HA SER A 488 150.286 181.757 172.505 1.00 82.70 H +ATOM 7365 HB2 SER A 488 151.254 182.360 170.420 1.00 84.22 H +ATOM 7366 HB3 SER A 488 152.250 181.530 171.338 1.00 84.22 H +ATOM 7367 HG SER A 488 152.205 180.735 169.292 1.00 90.75 H +ATOM 7368 N ALA A 489 148.584 180.287 170.252 1.00 66.31 N +ATOM 7369 CA ALA A 489 147.303 180.271 169.559 1.00 66.31 C +ATOM 7370 C ALA A 489 146.158 180.170 170.561 1.00 67.86 C +ATOM 7371 O ALA A 489 145.119 180.808 170.394 1.00 72.39 O +ATOM 7372 CB ALA A 489 147.250 179.119 168.570 1.00 69.25 C +ATOM 7373 H ALA A 489 149.068 179.591 170.106 1.00 79.57 H +ATOM 7374 HA ALA A 489 147.200 181.099 169.064 1.00 79.57 H +ATOM 7375 HB1 ALA A 489 146.390 179.129 168.121 1.00 83.10 H +ATOM 7376 HB2 ALA A 489 147.964 179.227 167.922 1.00 83.10 H +ATOM 7377 HB3 ALA A 489 147.363 178.285 169.052 1.00 83.10 H +ATOM 7378 N GLU A 490 146.356 179.364 171.600 1.00 69.86 N +ATOM 7379 CA GLU A 490 145.366 179.212 172.661 1.00 66.43 C +ATOM 7380 C GLU A 490 145.156 180.523 173.412 1.00 67.43 C +ATOM 7381 O GLU A 490 144.034 180.859 173.790 1.00 61.28 O +ATOM 7382 CB GLU A 490 145.793 178.115 173.639 1.00 71.09 C +ATOM 7383 CG GLU A 490 145.542 176.698 173.144 1.00 85.14 C +ATOM 7384 CD GLU A 490 144.085 176.288 173.241 1.00 97.76 C +ATOM 7385 OE1 GLU A 490 143.266 177.094 173.729 1.00 99.40 O +ATOM 7386 OE2 GLU A 490 143.761 175.153 172.832 1.00104.26 O +ATOM 7387 H GLU A 490 147.064 178.890 171.714 1.00 83.84 H +ATOM 7388 HA GLU A 490 144.518 178.952 172.268 1.00 79.72 H +ATOM 7389 HB2 GLU A 490 146.744 178.203 173.808 1.00 85.30 H +ATOM 7390 HB3 GLU A 490 145.302 178.229 174.467 1.00 85.30 H +ATOM 7391 HG2 GLU A 490 145.809 176.638 172.213 1.00102.17 H +ATOM 7392 HG3 GLU A 490 146.064 176.080 173.679 1.00102.17 H +ATOM 7393 N LEU A 491 146.243 181.256 173.633 1.00 70.38 N +ATOM 7394 CA LEU A 491 146.175 182.523 174.352 1.00 78.67 C +ATOM 7395 C LEU A 491 145.396 183.566 173.565 1.00 76.04 C +ATOM 7396 O LEU A 491 144.535 184.253 174.113 1.00 65.07 O +ATOM 7397 CB LEU A 491 147.578 183.051 174.651 1.00 83.75 C +ATOM 7398 CG LEU A 491 148.325 182.470 175.850 1.00 61.15 C +ATOM 7399 CD1 LEU A 491 149.746 182.990 175.851 1.00 76.67 C +ATOM 7400 CD2 LEU A 491 147.628 182.830 177.155 1.00 53.24 C +ATOM 7401 H LEU A 491 147.034 181.040 173.376 1.00 84.45 H +ATOM 7402 HA LEU A 491 145.720 182.383 175.197 1.00 94.40 H +ATOM 7403 HB2 LEU A 491 148.130 182.888 173.870 1.00100.50 H +ATOM 7404 HB3 LEU A 491 147.512 184.007 174.797 1.00100.50 H +ATOM 7405 HG LEU A 491 148.353 181.503 175.775 1.00 73.38 H +ATOM 7406 HD11 LEU A 491 150.217 182.620 176.613 1.00 92.00 H +ATOM 7407 HD12 LEU A 491 150.182 182.719 175.028 1.00 92.00 H +ATOM 7408 HD13 LEU A 491 149.727 183.958 175.912 1.00 92.00 H +ATOM 7409 HD21 LEU A 491 148.125 182.447 177.895 1.00 63.89 H +ATOM 7410 HD22 LEU A 491 147.598 183.795 177.241 1.00 63.89 H +ATOM 7411 HD23 LEU A 491 146.727 182.470 177.141 1.00 63.89 H +ATOM 7412 N GLU A 492 145.707 183.689 172.278 1.00 76.86 N +ATOM 7413 CA GLU A 492 145.042 184.670 171.432 1.00 83.92 C +ATOM 7414 C GLU A 492 143.555 184.362 171.307 1.00 74.36 C +ATOM 7415 O GLU A 492 142.736 185.268 171.167 1.00 72.02 O +ATOM 7416 CB GLU A 492 145.687 184.717 170.047 1.00 75.67 C +ATOM 7417 CG GLU A 492 145.061 185.756 169.128 1.00 80.88 C +ATOM 7418 CD GLU A 492 145.974 186.166 167.990 1.00 78.72 C +ATOM 7419 OE1 GLU A 492 146.733 185.308 167.493 1.00 77.58 O +ATOM 7420 OE2 GLU A 492 145.936 187.352 167.597 1.00 79.99 O +ATOM 7421 H GLU A 492 146.299 183.216 171.872 1.00 92.24 H +ATOM 7422 HA GLU A 492 145.134 185.548 171.835 1.00100.71 H +ATOM 7423 HB2 GLU A 492 146.627 184.934 170.145 1.00 90.80 H +ATOM 7424 HB3 GLU A 492 145.590 183.849 169.626 1.00 90.80 H +ATOM 7425 HG2 GLU A 492 144.250 185.388 168.743 1.00 97.05 H +ATOM 7426 HG3 GLU A 492 144.852 186.550 169.645 1.00 97.05 H +ATOM 7427 N ALA A 493 143.210 183.082 171.361 1.00 68.76 N +ATOM 7428 CA ALA A 493 141.815 182.670 171.294 1.00 67.33 C +ATOM 7429 C ALA A 493 141.074 183.088 172.560 1.00 65.01 C +ATOM 7430 O ALA A 493 139.884 183.399 172.520 1.00 70.33 O +ATOM 7431 CB ALA A 493 141.715 181.171 171.090 1.00 68.58 C +ATOM 7432 H ALA A 493 143.767 182.431 171.437 1.00 82.51 H +ATOM 7433 HA ALA A 493 141.391 183.107 170.539 1.00 80.79 H +ATOM 7434 HB1 ALA A 493 140.779 180.920 171.049 1.00 82.30 H +ATOM 7435 HB2 ALA A 493 142.158 180.935 170.260 1.00 82.30 H +ATOM 7436 HB3 ALA A 493 142.146 180.722 171.834 1.00 82.30 H +ATOM 7437 N LEU A 494 141.789 183.098 173.680 1.00 77.00 N +ATOM 7438 CA LEU A 494 141.207 183.461 174.969 1.00 77.61 C +ATOM 7439 C LEU A 494 141.230 184.969 175.212 1.00 61.25 C +ATOM 7440 O LEU A 494 140.236 185.546 175.649 1.00 66.13 O +ATOM 7441 CB LEU A 494 141.950 182.749 176.103 1.00 70.36 C +ATOM 7442 CG LEU A 494 141.702 181.247 176.244 1.00 82.10 C +ATOM 7443 CD1 LEU A 494 142.761 180.616 177.135 1.00 72.48 C +ATOM 7444 CD2 LEU A 494 140.315 180.989 176.804 1.00 62.25 C +ATOM 7445 H LEU A 494 142.624 182.897 173.721 1.00 92.40 H +ATOM 7446 HA LEU A 494 140.282 183.169 174.990 1.00 93.13 H +ATOM 7447 HB2 LEU A 494 142.902 182.872 175.964 1.00 84.43 H +ATOM 7448 HB3 LEU A 494 141.692 183.163 176.941 1.00 84.43 H +ATOM 7449 HG LEU A 494 141.757 180.832 175.369 1.00 98.52 H +ATOM 7450 HD11 LEU A 494 142.584 179.665 177.210 1.00 86.97 H +ATOM 7451 HD12 LEU A 494 143.634 180.760 176.738 1.00 86.97 H +ATOM 7452 HD13 LEU A 494 142.723 181.030 178.012 1.00 86.97 H +ATOM 7453 HD21 LEU A 494 140.180 180.031 176.885 1.00 74.70 H +ATOM 7454 HD22 LEU A 494 140.243 181.408 177.676 1.00 74.70 H +ATOM 7455 HD23 LEU A 494 139.656 181.366 176.200 1.00 74.70 H +ATOM 7456 N TYR A 495 142.365 185.598 174.922 1.00 61.09 N +ATOM 7457 CA TYR A 495 142.573 187.008 175.247 1.00 66.68 C +ATOM 7458 C TYR A 495 142.378 187.937 174.053 1.00 70.14 C +ATOM 7459 O TYR A 495 141.895 189.059 174.208 1.00 64.95 O +ATOM 7460 CB TYR A 495 143.977 187.213 175.817 1.00 73.27 C +ATOM 7461 CG TYR A 495 144.141 186.731 177.240 1.00 78.47 C +ATOM 7462 CD1 TYR A 495 143.610 187.451 178.302 1.00 76.25 C +ATOM 7463 CD2 TYR A 495 144.838 185.564 177.525 1.00 70.79 C +ATOM 7464 CE1 TYR A 495 143.762 187.020 179.605 1.00 66.73 C +ATOM 7465 CE2 TYR A 495 144.994 185.127 178.827 1.00 70.24 C +ATOM 7466 CZ TYR A 495 144.454 185.859 179.860 1.00 62.21 C +ATOM 7467 OH TYR A 495 144.606 185.428 181.155 1.00 67.39 O +ATOM 7468 H TYR A 495 143.037 185.228 174.533 1.00 73.30 H +ATOM 7469 HA TYR A 495 141.936 187.268 175.931 1.00 80.02 H +ATOM 7470 HB2 TYR A 495 144.611 186.729 175.266 1.00 87.92 H +ATOM 7471 HB3 TYR A 495 144.185 188.161 175.800 1.00 87.92 H +ATOM 7472 HD1 TYR A 495 143.142 188.237 178.133 1.00 91.50 H +ATOM 7473 HD2 TYR A 495 145.204 185.068 176.829 1.00 84.94 H +ATOM 7474 HE1 TYR A 495 143.399 187.512 180.306 1.00 80.08 H +ATOM 7475 HE2 TYR A 495 145.461 184.342 179.003 1.00 84.29 H +ATOM 7476 HH TYR A 495 144.231 185.963 181.682 1.00 80.87 H +ATOM 7477 N GLY A 496 142.768 187.478 172.868 1.00 72.38 N +ATOM 7478 CA GLY A 496 142.666 188.288 171.665 1.00 73.30 C +ATOM 7479 C GLY A 496 143.822 189.261 171.519 1.00 76.04 C +ATOM 7480 O GLY A 496 144.519 189.261 170.505 1.00 76.60 O +ATOM 7481 H GLY A 496 143.097 186.694 172.735 1.00 86.86 H +ATOM 7482 HA2 GLY A 496 142.651 187.710 170.887 1.00 87.96 H +ATOM 7483 HA3 GLY A 496 141.839 188.795 171.687 1.00 87.96 H +ATOM 7484 N ASP A 497 144.019 190.090 172.540 1.00 79.85 N +ATOM 7485 CA ASP A 497 145.070 191.101 172.539 1.00 65.26 C +ATOM 7486 C ASP A 497 146.190 190.690 173.490 1.00 64.31 C +ATOM 7487 O ASP A 497 145.930 190.269 174.616 1.00 68.66 O +ATOM 7488 CB ASP A 497 144.492 192.460 172.945 1.00 66.88 C +ATOM 7489 CG ASP A 497 145.401 193.618 172.587 1.00 70.55 C +ATOM 7490 OD1 ASP A 497 146.638 193.448 172.612 1.00 71.27 O +ATOM 7491 OD2 ASP A 497 144.872 194.707 172.279 1.00 77.30 O +ATOM 7492 H ASP A 497 143.547 190.085 173.259 1.00 95.82 H +ATOM 7493 HA ASP A 497 145.441 191.181 171.646 1.00 78.31 H +ATOM 7494 HB2 ASP A 497 143.646 192.591 172.489 1.00 80.26 H +ATOM 7495 HB3 ASP A 497 144.356 192.471 173.905 1.00 80.26 H +ATOM 7496 N ILE A 498 147.433 190.801 173.034 1.00 65.00 N +ATOM 7497 CA ILE A 498 148.577 190.436 173.862 1.00 68.78 C +ATOM 7498 C ILE A 498 148.657 191.349 175.082 1.00 64.58 C +ATOM 7499 O ILE A 498 149.153 190.949 176.133 1.00 60.72 O +ATOM 7500 CB ILE A 498 149.906 190.499 173.063 1.00 58.28 C +ATOM 7501 CG1 ILE A 498 151.099 190.081 173.933 1.00 54.65 C +ATOM 7502 CG2 ILE A 498 150.132 191.892 172.493 1.00 64.50 C +ATOM 7503 CD1 ILE A 498 151.050 188.640 174.406 1.00 53.54 C +ATOM 7504 H ILE A 498 147.642 191.085 172.250 1.00 78.00 H +ATOM 7505 HA ILE A 498 148.461 189.525 174.177 1.00 82.54 H +ATOM 7506 HB ILE A 498 149.842 189.877 172.321 1.00 69.93 H +ATOM 7507 HG12 ILE A 498 151.914 190.194 173.419 1.00 65.58 H +ATOM 7508 HG13 ILE A 498 151.126 190.649 174.718 1.00 65.58 H +ATOM 7509 HG21 ILE A 498 150.968 191.899 172.001 1.00 77.40 H +ATOM 7510 HG22 ILE A 498 149.397 192.113 171.901 1.00 77.40 H +ATOM 7511 HG23 ILE A 498 150.172 192.529 173.224 1.00 77.40 H +ATOM 7512 HD11 ILE A 498 151.835 188.459 174.946 1.00 64.24 H +ATOM 7513 HD12 ILE A 498 150.247 188.510 174.935 1.00 64.24 H +ATOM 7514 HD13 ILE A 498 151.037 188.054 173.633 1.00 64.24 H +ATOM 7515 N ASP A 499 148.152 192.572 174.944 1.00 63.36 N +ATOM 7516 CA ASP A 499 148.125 193.518 176.055 1.00 56.67 C +ATOM 7517 C ASP A 499 147.009 193.194 177.050 1.00 63.17 C +ATOM 7518 O ASP A 499 146.848 193.890 178.051 1.00 57.58 O +ATOM 7519 CB ASP A 499 147.949 194.949 175.540 1.00 67.41 C +ATOM 7520 CG ASP A 499 149.073 195.384 174.622 1.00 86.95 C +ATOM 7521 OD1 ASP A 499 150.173 195.686 175.131 1.00 84.53 O +ATOM 7522 OD2 ASP A 499 148.857 195.434 173.392 1.00 95.64 O +ATOM 7523 H ASP A 499 147.817 192.879 174.213 1.00 76.04 H +ATOM 7524 HA ASP A 499 148.970 193.473 176.528 1.00 68.00 H +ATOM 7525 HB2 ASP A 499 147.117 195.006 175.044 1.00 80.89 H +ATOM 7526 HB3 ASP A 499 147.927 195.556 176.296 1.00 80.89 H +ATOM 7527 N ALA A 500 146.244 192.143 176.768 1.00 59.24 N +ATOM 7528 CA ALA A 500 145.141 191.733 177.636 1.00 55.69 C +ATOM 7529 C ALA A 500 145.496 190.493 178.453 1.00 53.28 C +ATOM 7530 O ALA A 500 144.729 190.079 179.321 1.00 60.17 O +ATOM 7531 CB ALA A 500 143.894 191.475 176.813 1.00 56.28 C +ATOM 7532 H ALA A 500 146.344 191.645 176.074 1.00 71.09 H +ATOM 7533 HA ALA A 500 144.946 192.453 178.256 1.00 66.83 H +ATOM 7534 HB1 ALA A 500 143.176 191.204 177.407 1.00 67.53 H +ATOM 7535 HB2 ALA A 500 143.650 192.289 176.347 1.00 67.53 H +ATOM 7536 HB3 ALA A 500 144.079 190.769 176.174 1.00 67.53 H +ATOM 7537 N VAL A 501 146.652 189.899 178.179 1.00 53.21 N +ATOM 7538 CA VAL A 501 147.077 188.716 178.916 1.00 62.16 C +ATOM 7539 C VAL A 501 147.355 189.080 180.371 1.00 57.96 C +ATOM 7540 O VAL A 501 148.003 190.085 180.657 1.00 46.66 O +ATOM 7541 CB VAL A 501 148.335 188.075 178.302 1.00 94.32 C +ATOM 7542 CG1 VAL A 501 148.669 186.772 179.020 1.00 89.10 C +ATOM 7543 CG2 VAL A 501 148.130 187.817 176.819 1.00 89.39 C +ATOM 7544 H VAL A 501 147.206 190.160 177.575 1.00 63.86 H +ATOM 7545 HA VAL A 501 146.364 188.058 178.899 1.00 74.59 H +ATOM 7546 HB VAL A 501 149.086 188.680 178.405 1.00113.19 H +ATOM 7547 HG11 VAL A 501 149.463 186.386 178.619 1.00106.92 H +ATOM 7548 HG12 VAL A 501 148.830 186.962 179.958 1.00106.92 H +ATOM 7549 HG13 VAL A 501 147.921 186.161 178.930 1.00106.92 H +ATOM 7550 HG21 VAL A 501 148.934 187.414 176.455 1.00107.27 H +ATOM 7551 HG22 VAL A 501 147.377 187.217 176.704 1.00107.27 H +ATOM 7552 HG23 VAL A 501 147.952 188.661 176.374 1.00107.27 H +ATOM 7553 N GLU A 502 146.860 188.251 181.283 1.00 61.87 N +ATOM 7554 CA GLU A 502 147.004 188.497 182.711 1.00 49.34 C +ATOM 7555 C GLU A 502 148.380 188.083 183.219 1.00 47.98 C +ATOM 7556 O GLU A 502 149.101 187.339 182.556 1.00 46.10 O +ATOM 7557 CB GLU A 502 145.914 187.758 183.483 1.00 50.97 C +ATOM 7558 CG GLU A 502 144.547 188.401 183.374 1.00 53.28 C +ATOM 7559 CD GLU A 502 143.434 187.470 183.800 1.00 52.68 C +ATOM 7560 OE1 GLU A 502 142.893 187.653 184.909 1.00 49.31 O +ATOM 7561 OE2 GLU A 502 143.097 186.554 183.021 1.00 60.97 O +ATOM 7562 H GLU A 502 146.430 187.530 181.097 1.00 74.24 H +ATOM 7563 HA GLU A 502 146.897 189.447 182.879 1.00 59.21 H +ATOM 7564 HB2 GLU A 502 145.845 186.854 183.138 1.00 61.16 H +ATOM 7565 HB3 GLU A 502 146.157 187.734 184.422 1.00 61.16 H +ATOM 7566 HG2 GLU A 502 144.519 189.185 183.945 1.00 63.93 H +ATOM 7567 HG3 GLU A 502 144.390 188.656 182.451 1.00 63.93 H +ATOM 7568 N LEU A 503 148.729 188.566 184.406 1.00 47.61 N +ATOM 7569 CA LEU A 503 150.059 188.365 184.969 1.00 44.35 C +ATOM 7570 C LEU A 503 150.392 186.896 185.228 1.00 44.22 C +ATOM 7571 O LEU A 503 151.380 186.380 184.706 1.00 41.91 O +ATOM 7572 CB LEU A 503 150.194 189.158 186.273 1.00 43.54 C +ATOM 7573 CG LEU A 503 151.463 188.921 187.097 1.00 47.41 C +ATOM 7574 CD1 LEU A 503 152.711 189.196 186.271 1.00 40.95 C +ATOM 7575 CD2 LEU A 503 151.452 189.779 188.353 1.00 33.18 C +ATOM 7576 H LEU A 503 148.204 189.021 184.914 1.00 57.13 H +ATOM 7577 HA LEU A 503 150.715 188.710 184.344 1.00 53.22 H +ATOM 7578 HB2 LEU A 503 150.165 190.103 186.056 1.00 52.25 H +ATOM 7579 HB3 LEU A 503 149.439 188.937 186.840 1.00 52.25 H +ATOM 7580 HG LEU A 503 151.488 187.992 187.372 1.00 56.89 H +ATOM 7581 HD11 LEU A 503 153.494 189.037 186.821 1.00 49.15 H +ATOM 7582 HD12 LEU A 503 152.718 188.601 185.504 1.00 49.15 H +ATOM 7583 HD13 LEU A 503 152.696 190.119 185.974 1.00 49.15 H +ATOM 7584 HD21 LEU A 503 152.264 189.612 188.857 1.00 39.81 H +ATOM 7585 HD22 LEU A 503 151.407 190.713 188.097 1.00 39.81 H +ATOM 7586 HD23 LEU A 503 150.677 189.545 188.888 1.00 39.81 H +ATOM 7587 N TYR A 504 149.575 186.228 186.037 1.00 45.89 N +ATOM 7588 CA TYR A 504 149.903 184.880 186.502 1.00 46.33 C +ATOM 7589 C TYR A 504 150.013 183.852 185.374 1.00 49.40 C +ATOM 7590 O TYR A 504 150.989 183.106 185.318 1.00 54.32 O +ATOM 7591 CB TYR A 504 148.875 184.400 187.526 1.00 43.89 C +ATOM 7592 CG TYR A 504 149.168 183.019 188.059 1.00 40.51 C +ATOM 7593 CD1 TYR A 504 148.291 181.966 187.843 1.00 50.75 C +ATOM 7594 CD2 TYR A 504 150.334 182.766 188.763 1.00 46.84 C +ATOM 7595 CE1 TYR A 504 148.562 180.700 188.326 1.00 56.27 C +ATOM 7596 CE2 TYR A 504 150.616 181.505 189.247 1.00 52.18 C +ATOM 7597 CZ TYR A 504 149.728 180.477 189.028 1.00 56.93 C +ATOM 7598 OH TYR A 504 150.010 179.221 189.511 1.00 61.56 O +ATOM 7599 H TYR A 504 148.826 186.531 186.332 1.00 55.07 H +ATOM 7600 HA TYR A 504 150.764 184.913 186.948 1.00 55.60 H +ATOM 7601 HB2 TYR A 504 148.867 185.014 188.277 1.00 52.67 H +ATOM 7602 HB3 TYR A 504 148.000 184.378 187.108 1.00 52.67 H +ATOM 7603 HD1 TYR A 504 147.504 182.117 187.371 1.00 60.90 H +ATOM 7604 HD2 TYR A 504 150.936 183.458 188.914 1.00 56.21 H +ATOM 7605 HE1 TYR A 504 147.964 180.003 188.178 1.00 67.53 H +ATOM 7606 HE2 TYR A 504 151.401 181.352 189.721 1.00 62.62 H +ATOM 7607 HH TYR A 504 150.746 179.228 189.916 1.00 73.87 H +ATOM 7608 N PRO A 505 149.017 183.800 184.472 1.00 49.48 N +ATOM 7609 CA PRO A 505 149.103 182.792 183.410 1.00 48.42 C +ATOM 7610 C PRO A 505 150.305 183.005 182.498 1.00 50.78 C +ATOM 7611 O PRO A 505 150.957 182.041 182.102 1.00 50.28 O +ATOM 7612 CB PRO A 505 147.792 182.982 182.634 1.00 54.58 C +ATOM 7613 CG PRO A 505 146.899 183.748 183.546 1.00 55.30 C +ATOM 7614 CD PRO A 505 147.804 184.624 184.338 1.00 53.09 C +ATOM 7615 HA PRO A 505 149.132 181.899 183.787 1.00 58.11 H +ATOM 7616 HB2 PRO A 505 147.964 183.484 181.822 1.00 65.49 H +ATOM 7617 HB3 PRO A 505 147.408 182.116 182.426 1.00 65.49 H +ATOM 7618 HG2 PRO A 505 146.278 184.279 183.024 1.00 66.36 H +ATOM 7619 HG3 PRO A 505 146.422 183.134 184.126 1.00 66.36 H +ATOM 7620 HD2 PRO A 505 147.999 185.440 183.852 1.00 63.71 H +ATOM 7621 HD3 PRO A 505 147.421 184.809 185.210 1.00 63.71 H +ATOM 7622 N ALA A 506 150.588 184.263 182.177 1.00 43.63 N +ATOM 7623 CA ALA A 506 151.702 184.604 181.305 1.00 43.35 C +ATOM 7624 C ALA A 506 153.029 184.138 181.898 1.00 47.18 C +ATOM 7625 O ALA A 506 153.902 183.664 181.176 1.00 56.59 O +ATOM 7626 CB ALA A 506 151.732 186.095 181.057 1.00 41.22 C +ATOM 7627 H ALA A 506 150.144 184.944 182.456 1.00 52.35 H +ATOM 7628 HA ALA A 506 151.583 184.160 180.451 1.00 52.02 H +ATOM 7629 HB1 ALA A 506 152.480 186.303 180.475 1.00 49.47 H +ATOM 7630 HB2 ALA A 506 150.900 186.362 180.636 1.00 49.47 H +ATOM 7631 HB3 ALA A 506 151.836 186.553 181.906 1.00 49.47 H +ATOM 7632 N LEU A 507 153.171 184.272 183.213 1.00 50.95 N +ATOM 7633 CA LEU A 507 154.395 183.870 183.903 1.00 49.55 C +ATOM 7634 C LEU A 507 154.693 182.387 183.729 1.00 54.08 C +ATOM 7635 O LEU A 507 155.855 181.989 183.654 1.00 48.81 O +ATOM 7636 CB LEU A 507 154.300 184.192 185.397 1.00 58.21 C +ATOM 7637 CG LEU A 507 154.512 185.643 185.829 1.00 44.70 C +ATOM 7638 CD1 LEU A 507 154.192 185.794 187.306 1.00 47.30 C +ATOM 7639 CD2 LEU A 507 155.934 186.091 185.545 1.00 45.34 C +ATOM 7640 H LEU A 507 152.568 184.596 183.734 1.00 61.14 H +ATOM 7641 HA LEU A 507 155.141 184.370 183.536 1.00 59.45 H +ATOM 7642 HB2 LEU A 507 153.416 183.932 185.702 1.00 69.85 H +ATOM 7643 HB3 LEU A 507 154.965 183.659 185.860 1.00 69.85 H +ATOM 7644 HG LEU A 507 153.909 186.215 185.329 1.00 53.64 H +ATOM 7645 HD11 LEU A 507 154.331 186.719 187.565 1.00 56.76 H +ATOM 7646 HD12 LEU A 507 153.267 185.544 187.456 1.00 56.76 H +ATOM 7647 HD13 LEU A 507 154.779 185.215 187.817 1.00 56.76 H +ATOM 7648 HD21 LEU A 507 156.037 187.013 185.829 1.00 54.41 H +ATOM 7649 HD22 LEU A 507 156.548 185.523 186.035 1.00 54.41 H +ATOM 7650 HD23 LEU A 507 156.104 186.018 184.592 1.00 54.41 H +ATOM 7651 N LEU A 508 153.645 181.572 183.673 1.00 48.80 N +ATOM 7652 CA LEU A 508 153.809 180.123 183.605 1.00 56.86 C +ATOM 7653 C LEU A 508 153.933 179.610 182.171 1.00 62.46 C +ATOM 7654 O LEU A 508 154.560 178.576 181.940 1.00 66.17 O +ATOM 7655 CB LEU A 508 152.643 179.427 184.308 1.00 54.82 C +ATOM 7656 CG LEU A 508 152.500 179.706 185.811 1.00 62.43 C +ATOM 7657 CD1 LEU A 508 151.410 178.838 186.408 1.00 65.56 C +ATOM 7658 CD2 LEU A 508 153.809 179.485 186.553 1.00 64.64 C +ATOM 7659 H LEU A 508 152.825 181.833 183.672 1.00 58.56 H +ATOM 7660 HA LEU A 508 154.623 179.882 184.074 1.00 68.23 H +ATOM 7661 HB2 LEU A 508 151.818 179.708 183.882 1.00 65.79 H +ATOM 7662 HB3 LEU A 508 152.751 178.469 184.201 1.00 65.79 H +ATOM 7663 HG LEU A 508 152.242 180.633 185.933 1.00 74.91 H +ATOM 7664 HD11 LEU A 508 151.338 179.031 187.356 1.00 78.67 H +ATOM 7665 HD12 LEU A 508 150.570 179.037 185.964 1.00 78.67 H +ATOM 7666 HD13 LEU A 508 151.642 177.906 186.276 1.00 78.67 H +ATOM 7667 HD21 LEU A 508 153.672 179.672 187.495 1.00 77.56 H +ATOM 7668 HD22 LEU A 508 154.087 178.563 186.436 1.00 77.56 H +ATOM 7669 HD23 LEU A 508 154.481 180.083 186.191 1.00 77.56 H +ATOM 7670 N VAL A 509 153.346 180.322 181.215 1.00 61.14 N +ATOM 7671 CA VAL A 509 153.454 179.931 179.811 1.00 69.07 C +ATOM 7672 C VAL A 509 154.617 180.637 179.120 1.00 60.53 C +ATOM 7673 O VAL A 509 154.857 180.419 177.933 1.00 59.82 O +ATOM 7674 CB VAL A 509 152.160 180.231 179.014 1.00 55.82 C +ATOM 7675 CG1 VAL A 509 150.969 179.526 179.642 1.00 47.72 C +ATOM 7676 CG2 VAL A 509 151.914 181.731 178.920 1.00 58.04 C +ATOM 7677 H VAL A 509 152.881 181.033 181.350 1.00 73.37 H +ATOM 7678 HA VAL A 509 153.617 178.976 179.764 1.00 82.88 H +ATOM 7679 HB VAL A 509 152.264 179.891 178.112 1.00 66.98 H +ATOM 7680 HG11 VAL A 509 150.173 179.730 179.125 1.00 57.27 H +ATOM 7681 HG12 VAL A 509 151.130 178.569 179.637 1.00 57.27 H +ATOM 7682 HG13 VAL A 509 150.861 179.839 180.553 1.00 57.27 H +ATOM 7683 HG21 VAL A 509 151.100 181.886 178.417 1.00 69.64 H +ATOM 7684 HG22 VAL A 509 151.825 182.092 179.816 1.00 69.64 H +ATOM 7685 HG23 VAL A 509 152.666 182.146 178.469 1.00 69.64 H +ATOM 7686 N GLU A 510 155.337 181.482 179.852 1.00 60.28 N +ATOM 7687 CA GLU A 510 156.422 182.253 179.252 1.00 56.73 C +ATOM 7688 C GLU A 510 157.558 181.351 178.791 1.00 56.94 C +ATOM 7689 O GLU A 510 157.893 180.365 179.445 1.00 49.25 O +ATOM 7690 CB GLU A 510 156.969 183.296 180.231 1.00 52.78 C +ATOM 7691 CG GLU A 510 158.006 184.221 179.601 1.00 57.66 C +ATOM 7692 CD GLU A 510 158.519 185.293 180.549 1.00 61.21 C +ATOM 7693 OE1 GLU A 510 158.547 185.054 181.776 1.00 53.40 O +ATOM 7694 OE2 GLU A 510 158.896 186.379 180.060 1.00 53.59 O +ATOM 7695 H GLU A 510 155.219 181.628 180.691 1.00 72.34 H +ATOM 7696 HA GLU A 510 156.081 182.723 178.476 1.00 68.07 H +ATOM 7697 HB2 GLU A 510 156.235 183.843 180.551 1.00 63.34 H +ATOM 7698 HB3 GLU A 510 157.390 182.838 180.976 1.00 63.34 H +ATOM 7699 HG2 GLU A 510 158.766 183.692 179.312 1.00 69.19 H +ATOM 7700 HG3 GLU A 510 157.606 184.667 178.837 1.00 69.19 H +ATOM 7701 N LYS A 511 158.133 181.704 177.647 1.00 55.06 N +ATOM 7702 CA LYS A 511 159.337 181.064 177.140 1.00 51.31 C +ATOM 7703 C LYS A 511 160.426 181.039 178.216 1.00 50.30 C +ATOM 7704 O LYS A 511 160.895 182.094 178.644 1.00 48.31 O +ATOM 7705 CB LYS A 511 159.832 181.810 175.901 1.00 59.35 C +ATOM 7706 CG LYS A 511 161.056 181.215 175.221 1.00 73.73 C +ATOM 7707 CD LYS A 511 161.768 182.281 174.402 1.00 87.62 C +ATOM 7708 CE LYS A 511 162.439 181.705 173.167 1.00101.94 C +ATOM 7709 NZ LYS A 511 163.435 180.650 173.492 1.00107.09 N +ATOM 7710 H LYS A 511 157.836 182.328 177.135 1.00 66.07 H +ATOM 7711 HA LYS A 511 159.134 180.149 176.887 1.00 61.57 H +ATOM 7712 HB2 LYS A 511 159.116 181.827 175.247 1.00 71.22 H +ATOM 7713 HB3 LYS A 511 160.056 182.718 176.159 1.00 71.22 H +ATOM 7714 HG2 LYS A 511 161.670 180.880 175.893 1.00 88.48 H +ATOM 7715 HG3 LYS A 511 160.781 180.501 174.625 1.00 88.48 H +ATOM 7716 HD2 LYS A 511 161.122 182.944 174.113 1.00105.15 H +ATOM 7717 HD3 LYS A 511 162.451 182.698 174.950 1.00105.15 H +ATOM 7718 HE2 LYS A 511 161.762 181.313 172.594 1.00122.32 H +ATOM 7719 HE3 LYS A 511 162.899 182.418 172.697 1.00122.32 H +ATOM 7720 HZ1 LYS A 511 163.804 180.340 172.744 1.00128.51 H +ATOM 7721 HZ2 LYS A 511 164.074 180.986 174.013 1.00128.51 H +ATOM 7722 HZ3 LYS A 511 163.037 179.978 173.919 1.00128.51 H +ATOM 7723 N PRO A 512 160.828 179.841 178.670 1.00 51.20 N +ATOM 7724 CA PRO A 512 161.907 179.808 179.663 1.00 52.03 C +ATOM 7725 C PRO A 512 163.237 180.282 179.096 1.00 48.21 C +ATOM 7726 O PRO A 512 163.405 180.320 177.878 1.00 62.01 O +ATOM 7727 CB PRO A 512 161.992 178.324 180.048 1.00 46.64 C +ATOM 7728 CG PRO A 512 160.718 177.715 179.586 1.00 45.72 C +ATOM 7729 CD PRO A 512 160.298 178.496 178.391 1.00 47.36 C +ATOM 7730 HA PRO A 512 161.673 180.336 180.443 1.00 62.44 H +ATOM 7731 HB2 PRO A 512 162.749 177.915 179.600 1.00 55.96 H +ATOM 7732 HB3 PRO A 512 162.080 178.242 181.011 1.00 55.96 H +ATOM 7733 HG2 PRO A 512 160.869 176.787 179.349 1.00 54.86 H +ATOM 7734 HG3 PRO A 512 160.052 177.784 180.288 1.00 54.86 H +ATOM 7735 HD2 PRO A 512 160.702 178.132 177.588 1.00 56.83 H +ATOM 7736 HD3 PRO A 512 159.330 178.520 178.324 1.00 56.83 H +ATOM 7737 N ARG A 513 164.170 180.641 179.971 1.00 54.50 N +ATOM 7738 CA ARG A 513 165.551 180.835 179.558 1.00 55.79 C +ATOM 7739 C ARG A 513 166.097 179.474 179.130 1.00 55.67 C +ATOM 7740 O ARG A 513 165.522 178.445 179.481 1.00 46.47 O +ATOM 7741 CB ARG A 513 166.394 181.433 180.688 1.00 68.69 C +ATOM 7742 CG ARG A 513 166.756 182.903 180.510 1.00 63.84 C +ATOM 7743 CD ARG A 513 165.555 183.819 180.682 1.00 76.98 C +ATOM 7744 NE ARG A 513 165.948 185.227 180.744 1.00 74.14 N +ATOM 7745 CZ ARG A 513 166.286 185.872 181.857 1.00 65.20 C +ATOM 7746 NH1 ARG A 513 166.286 185.249 183.028 1.00 69.87 N +ATOM 7747 NH2 ARG A 513 166.629 187.153 181.803 1.00 65.29 N +ATOM 7748 H ARG A 513 164.028 180.779 180.808 1.00 65.40 H +ATOM 7749 HA ARG A 513 165.583 181.435 178.797 1.00 66.95 H +ATOM 7750 HB2 ARG A 513 165.899 181.351 181.518 1.00 82.43 H +ATOM 7751 HB3 ARG A 513 167.223 180.933 180.753 1.00 82.43 H +ATOM 7752 HG2 ARG A 513 167.419 183.149 181.174 1.00 76.61 H +ATOM 7753 HG3 ARG A 513 167.111 183.037 179.618 1.00 76.61 H +ATOM 7754 HD2 ARG A 513 164.956 183.704 179.927 1.00 92.38 H +ATOM 7755 HD3 ARG A 513 165.099 183.595 181.508 1.00 92.38 H +ATOM 7756 HE ARG A 513 165.962 185.670 180.007 1.00 88.96 H +ATOM 7757 HH11 ARG A 513 166.066 184.419 183.074 1.00 83.84 H +ATOM 7758 HH12 ARG A 513 166.507 185.675 183.742 1.00 83.84 H +ATOM 7759 HH21 ARG A 513 166.631 187.566 181.049 1.00 78.35 H +ATOM 7760 HH22 ARG A 513 166.847 187.571 182.522 1.00 78.35 H +ATOM 7761 N PRO A 514 167.206 179.460 178.373 1.00 58.49 N +ATOM 7762 CA PRO A 514 167.762 178.198 177.868 1.00 60.58 C +ATOM 7763 C PRO A 514 168.051 177.182 178.974 1.00 60.17 C +ATOM 7764 O PRO A 514 168.916 177.414 179.816 1.00 57.06 O +ATOM 7765 CB PRO A 514 169.058 178.639 177.176 1.00 61.68 C +ATOM 7766 CG PRO A 514 168.840 180.068 176.832 1.00 71.52 C +ATOM 7767 CD PRO A 514 167.986 180.626 177.924 1.00 59.67 C +ATOM 7768 HA PRO A 514 167.166 177.803 177.213 1.00 72.70 H +ATOM 7769 HB2 PRO A 514 169.805 178.542 177.787 1.00 74.02 H +ATOM 7770 HB3 PRO A 514 169.198 178.110 176.375 1.00 74.02 H +ATOM 7771 HG2 PRO A 514 169.693 180.528 176.799 1.00 85.83 H +ATOM 7772 HG3 PRO A 514 168.385 180.130 175.978 1.00 85.83 H +ATOM 7773 HD2 PRO A 514 168.538 180.962 178.648 1.00 71.60 H +ATOM 7774 HD3 PRO A 514 167.397 181.313 177.576 1.00 71.60 H +ATOM 7775 N ASP A 515 167.321 176.068 178.958 1.00 66.50 N +ATOM 7776 CA ASP A 515 167.441 175.038 179.988 1.00 74.92 C +ATOM 7777 C ASP A 515 167.311 175.632 181.391 1.00 68.42 C +ATOM 7778 O ASP A 515 167.963 175.178 182.332 1.00 58.19 O +ATOM 7779 CB ASP A 515 168.771 174.294 179.855 1.00 80.82 C +ATOM 7780 CG ASP A 515 168.884 173.533 178.550 1.00 81.07 C +ATOM 7781 OD1 ASP A 515 168.260 172.458 178.433 1.00 82.15 O +ATOM 7782 OD2 ASP A 515 169.601 174.008 177.644 1.00 70.15 O +ATOM 7783 H ASP A 515 166.740 175.883 178.352 1.00 79.80 H +ATOM 7784 HA ASP A 515 166.726 174.393 179.871 1.00 89.91 H +ATOM 7785 HB2 ASP A 515 169.497 174.936 179.892 1.00 96.99 H +ATOM 7786 HB3 ASP A 515 168.852 173.657 180.582 1.00 96.99 H +ATOM 7787 N ALA A 516 166.468 176.652 181.516 1.00 68.94 N +ATOM 7788 CA ALA A 516 166.216 177.303 182.797 1.00 56.39 C +ATOM 7789 C ALA A 516 164.830 176.941 183.310 1.00 58.28 C +ATOM 7790 O ALA A 516 163.961 176.518 182.547 1.00 57.96 O +ATOM 7791 CB ALA A 516 166.355 178.805 182.666 1.00 48.64 C +ATOM 7792 H ALA A 516 166.023 176.991 180.863 1.00 82.72 H +ATOM 7793 HA ALA A 516 166.868 176.994 183.444 1.00 67.66 H +ATOM 7794 HB1 ALA A 516 166.183 179.214 183.529 1.00 58.37 H +ATOM 7795 HB2 ALA A 516 167.256 179.014 182.375 1.00 58.37 H +ATOM 7796 HB3 ALA A 516 165.713 179.126 182.014 1.00 58.37 H +ATOM 7797 N ILE A 517 164.629 177.114 184.611 1.00 61.72 N +ATOM 7798 CA ILE A 517 163.359 176.789 185.238 1.00 67.29 C +ATOM 7799 C ILE A 517 162.345 177.914 185.027 1.00 61.73 C +ATOM 7800 O ILE A 517 161.139 177.674 184.994 1.00 55.55 O +ATOM 7801 CB ILE A 517 163.541 176.517 186.751 1.00 62.11 C +ATOM 7802 CG1 ILE A 517 162.246 175.975 187.356 1.00 58.87 C +ATOM 7803 CG2 ILE A 517 163.994 177.780 187.475 1.00 60.82 C +ATOM 7804 CD1 ILE A 517 162.402 175.473 188.778 1.00 52.02 C +ATOM 7805 H ILE A 517 165.219 177.422 185.155 1.00 74.06 H +ATOM 7806 HA ILE A 517 163.002 175.984 184.830 1.00 80.75 H +ATOM 7807 HB ILE A 517 164.231 175.843 186.857 1.00 74.53 H +ATOM 7808 HG12 ILE A 517 161.583 176.683 187.363 1.00 70.65 H +ATOM 7809 HG13 ILE A 517 161.932 175.235 186.813 1.00 70.65 H +ATOM 7810 HG21 ILE A 517 164.100 177.582 188.419 1.00 72.98 H +ATOM 7811 HG22 ILE A 517 164.839 178.072 187.101 1.00 72.98 H +ATOM 7812 HG23 ILE A 517 163.322 178.470 187.356 1.00 72.98 H +ATOM 7813 HD11 ILE A 517 161.544 175.146 189.093 1.00 62.43 H +ATOM 7814 HD12 ILE A 517 163.054 174.755 188.789 1.00 62.43 H +ATOM 7815 HD13 ILE A 517 162.705 176.204 189.339 1.00 62.43 H +ATOM 7816 N PHE A 518 162.847 179.136 184.872 1.00 58.46 N +ATOM 7817 CA PHE A 518 162.000 180.322 184.747 1.00 56.68 C +ATOM 7818 C PHE A 518 162.201 181.056 183.428 1.00 49.78 C +ATOM 7819 O PHE A 518 163.226 180.905 182.764 1.00 46.19 O +ATOM 7820 CB PHE A 518 162.274 181.299 185.894 1.00 54.42 C +ATOM 7821 CG PHE A 518 161.949 180.756 187.252 1.00 48.14 C +ATOM 7822 CD1 PHE A 518 160.754 180.098 187.486 1.00 50.59 C +ATOM 7823 CD2 PHE A 518 162.843 180.902 188.298 1.00 53.81 C +ATOM 7824 CE1 PHE A 518 160.456 179.601 188.737 1.00 50.55 C +ATOM 7825 CE2 PHE A 518 162.552 180.403 189.550 1.00 59.95 C +ATOM 7826 CZ PHE A 518 161.357 179.752 189.771 1.00 51.68 C +ATOM 7827 H PHE A 518 163.689 179.309 184.836 1.00 70.16 H +ATOM 7828 HA PHE A 518 161.070 180.052 184.799 1.00 68.01 H +ATOM 7829 HB2 PHE A 518 163.216 181.532 185.886 1.00 65.30 H +ATOM 7830 HB3 PHE A 518 161.739 182.097 185.758 1.00 65.30 H +ATOM 7831 HD1 PHE A 518 160.143 179.994 186.793 1.00 60.71 H +ATOM 7832 HD2 PHE A 518 163.651 181.341 188.154 1.00 64.57 H +ATOM 7833 HE1 PHE A 518 159.650 179.160 188.883 1.00 60.67 H +ATOM 7834 HE2 PHE A 518 163.160 180.508 190.246 1.00 71.94 H +ATOM 7835 HZ PHE A 518 161.158 179.416 190.615 1.00 62.01 H +ATOM 7836 N GLY A 519 161.205 181.859 183.068 1.00 49.35 N +ATOM 7837 CA GLY A 519 161.321 182.788 181.963 1.00 53.49 C +ATOM 7838 C GLY A 519 161.857 184.115 182.462 1.00 54.51 C +ATOM 7839 O GLY A 519 162.063 184.294 183.662 1.00 59.46 O +ATOM 7840 H GLY A 519 160.439 181.880 183.459 1.00 59.22 H +ATOM 7841 HA2 GLY A 519 161.927 182.434 181.294 1.00 64.19 H +ATOM 7842 HA3 GLY A 519 160.451 182.931 181.558 1.00 64.19 H +ATOM 7843 N GLU A 520 162.079 185.042 181.539 1.00 54.87 N +ATOM 7844 CA GLU A 520 162.662 186.340 181.854 1.00 59.94 C +ATOM 7845 C GLU A 520 161.878 187.106 182.921 1.00 61.67 C +ATOM 7846 O GLU A 520 162.460 187.625 183.871 1.00 54.15 O +ATOM 7847 CB GLU A 520 162.755 187.183 180.579 1.00 64.73 C +ATOM 7848 CG GLU A 520 163.258 188.610 180.783 1.00 69.04 C +ATOM 7849 CD GLU A 520 163.209 189.433 179.512 1.00 69.89 C +ATOM 7850 OE1 GLU A 520 162.293 189.208 178.692 1.00 63.24 O +ATOM 7851 OE2 GLU A 520 164.085 190.306 179.332 1.00 63.41 O +ATOM 7852 H GLU A 520 161.896 184.941 180.705 1.00 65.84 H +ATOM 7853 HA GLU A 520 163.563 186.205 182.187 1.00 71.93 H +ATOM 7854 HB2 GLU A 520 163.362 186.744 179.962 1.00 77.68 H +ATOM 7855 HB3 GLU A 520 161.872 187.239 180.181 1.00 77.68 H +ATOM 7856 HG2 GLU A 520 162.703 189.049 181.447 1.00 82.85 H +ATOM 7857 HG3 GLU A 520 164.179 188.580 181.087 1.00 82.85 H +ATOM 7858 N THR A 521 160.561 187.169 182.761 1.00 52.43 N +ATOM 7859 CA THR A 521 159.735 188.036 183.595 1.00 51.49 C +ATOM 7860 C THR A 521 159.687 187.580 185.051 1.00 49.84 C +ATOM 7861 O THR A 521 159.675 188.411 185.958 1.00 44.69 O +ATOM 7862 CB THR A 521 158.297 188.118 183.058 1.00 48.98 C +ATOM 7863 OG1 THR A 521 158.324 188.416 181.657 1.00 50.78 O +ATOM 7864 CG2 THR A 521 157.517 189.202 183.788 1.00 38.86 C +ATOM 7865 H THR A 521 160.120 186.718 182.177 1.00 62.92 H +ATOM 7866 HA THR A 521 160.109 188.931 183.578 1.00 61.78 H +ATOM 7867 HB THR A 521 157.850 187.269 183.200 1.00 58.78 H +ATOM 7868 HG1 THR A 521 158.738 187.814 181.243 1.00 60.94 H +ATOM 7869 HG21 THR A 521 156.611 189.247 183.443 1.00 46.63 H +ATOM 7870 HG22 THR A 521 157.484 189.004 184.737 1.00 46.63 H +ATOM 7871 HG23 THR A 521 157.946 190.062 183.660 1.00 46.63 H +ATOM 7872 N MET A 522 159.647 186.270 185.272 1.00 45.86 N +ATOM 7873 CA MET A 522 159.633 185.727 186.626 1.00 41.96 C +ATOM 7874 C MET A 522 160.846 186.219 187.408 1.00 46.27 C +ATOM 7875 O MET A 522 160.723 186.657 188.549 1.00 45.77 O +ATOM 7876 CB MET A 522 159.614 184.198 186.596 1.00 57.47 C +ATOM 7877 CG MET A 522 159.572 183.540 187.974 1.00 43.80 C +ATOM 7878 SD MET A 522 157.954 183.648 188.755 1.00 38.25 S +ATOM 7879 CE MET A 522 157.078 182.354 187.881 1.00 43.20 C +ATOM 7880 H MET A 522 159.627 185.673 184.654 1.00 55.03 H +ATOM 7881 HA MET A 522 158.828 186.027 187.075 1.00 50.35 H +ATOM 7882 HB2 MET A 522 158.829 183.907 186.107 1.00 68.97 H +ATOM 7883 HB3 MET A 522 160.414 183.886 186.145 1.00 68.97 H +ATOM 7884 HG2 MET A 522 159.798 182.601 187.882 1.00 52.56 H +ATOM 7885 HG3 MET A 522 160.214 183.980 188.553 1.00 52.56 H +ATOM 7886 HE1 MET A 522 156.169 182.307 188.217 1.00 51.83 H +ATOM 7887 HE2 MET A 522 157.071 182.562 186.934 1.00 51.83 H +ATOM 7888 HE3 MET A 522 157.530 181.510 188.032 1.00 51.83 H +ATOM 7889 N VAL A 523 162.013 186.148 186.781 1.00 47.03 N +ATOM 7890 CA VAL A 523 163.257 186.553 187.422 1.00 45.84 C +ATOM 7891 C VAL A 523 163.319 188.058 187.664 1.00 42.03 C +ATOM 7892 O VAL A 523 163.590 188.500 188.778 1.00 45.59 O +ATOM 7893 CB VAL A 523 164.475 186.126 186.575 1.00 52.63 C +ATOM 7894 CG1 VAL A 523 165.768 186.780 187.086 1.00 61.37 C +ATOM 7895 CG2 VAL A 523 164.607 184.614 186.578 1.00 56.21 C +ATOM 7896 H VAL A 523 162.113 185.865 185.975 1.00 56.44 H +ATOM 7897 HA VAL A 523 163.324 186.110 188.283 1.00 55.01 H +ATOM 7898 HB VAL A 523 164.337 186.413 185.659 1.00 63.16 H +ATOM 7899 HG11 VAL A 523 166.508 186.489 186.531 1.00 73.65 H +ATOM 7900 HG12 VAL A 523 165.674 187.744 187.035 1.00 73.65 H +ATOM 7901 HG13 VAL A 523 165.916 186.509 188.005 1.00 73.65 H +ATOM 7902 HG21 VAL A 523 165.376 184.363 186.042 1.00 67.45 H +ATOM 7903 HG22 VAL A 523 164.727 184.309 187.491 1.00 67.45 H +ATOM 7904 HG23 VAL A 523 163.802 184.226 186.202 1.00 67.45 H +ATOM 7905 N GLU A 524 163.076 188.843 186.621 1.00 47.66 N +ATOM 7906 CA GLU A 524 163.295 190.284 186.693 1.00 54.69 C +ATOM 7907 C GLU A 524 162.274 190.983 187.587 1.00 41.60 C +ATOM 7908 O GLU A 524 162.542 192.065 188.106 1.00 38.84 O +ATOM 7909 CB GLU A 524 163.272 190.897 185.291 1.00 53.75 C +ATOM 7910 CG GLU A 524 164.323 190.323 184.346 1.00 72.75 C +ATOM 7911 CD GLU A 524 165.738 190.470 184.874 1.00 73.14 C +ATOM 7912 OE1 GLU A 524 166.072 191.552 185.399 1.00 62.35 O +ATOM 7913 OE2 GLU A 524 166.516 189.498 184.764 1.00 62.65 O +ATOM 7914 H GLU A 524 162.784 188.567 185.860 1.00 57.19 H +ATOM 7915 HA GLU A 524 164.175 190.445 187.070 1.00 65.63 H +ATOM 7916 HB2 GLU A 524 162.400 190.738 184.896 1.00 64.50 H +ATOM 7917 HB3 GLU A 524 163.430 191.851 185.365 1.00 64.50 H +ATOM 7918 HG2 GLU A 524 164.148 189.378 184.217 1.00 87.30 H +ATOM 7919 HG3 GLU A 524 164.270 190.788 183.497 1.00 87.30 H +ATOM 7920 N VAL A 525 161.110 190.366 187.769 1.00 46.69 N +ATOM 7921 CA VAL A 525 160.094 190.896 188.674 1.00 42.14 C +ATOM 7922 C VAL A 525 160.310 190.365 190.089 1.00 41.11 C +ATOM 7923 O VAL A 525 160.110 191.083 191.069 1.00 34.01 O +ATOM 7924 CB VAL A 525 158.667 190.538 188.207 1.00 39.20 C +ATOM 7925 CG1 VAL A 525 157.625 190.996 189.225 1.00 34.16 C +ATOM 7926 CG2 VAL A 525 158.383 191.163 186.849 1.00 45.39 C +ATOM 7927 H VAL A 525 160.883 189.635 187.378 1.00 56.03 H +ATOM 7928 HA VAL A 525 160.167 191.863 188.702 1.00 50.56 H +ATOM 7929 HB VAL A 525 158.596 189.575 188.116 1.00 47.04 H +ATOM 7930 HG11 VAL A 525 156.743 190.756 188.902 1.00 40.99 H +ATOM 7931 HG12 VAL A 525 157.799 190.557 190.073 1.00 40.99 H +ATOM 7932 HG13 VAL A 525 157.690 191.958 189.331 1.00 40.99 H +ATOM 7933 HG21 VAL A 525 157.483 190.925 186.575 1.00 54.47 H +ATOM 7934 HG22 VAL A 525 158.463 192.127 186.922 1.00 54.47 H +ATOM 7935 HG23 VAL A 525 159.025 190.825 186.206 1.00 54.47 H +ATOM 7936 N GLY A 526 160.726 189.107 190.185 1.00 36.81 N +ATOM 7937 CA GLY A 526 160.866 188.445 191.470 1.00 31.78 C +ATOM 7938 C GLY A 526 162.087 188.862 192.271 1.00 36.61 C +ATOM 7939 O GLY A 526 161.993 189.062 193.480 1.00 29.23 O +ATOM 7940 H GLY A 526 160.935 188.613 189.513 1.00 44.17 H +ATOM 7941 HA2 GLY A 526 160.079 188.629 192.007 1.00 38.13 H +ATOM 7942 HA3 GLY A 526 160.915 187.486 191.328 1.00 38.13 H +ATOM 7943 N ALA A 527 163.229 188.997 191.602 1.00 38.03 N +ATOM 7944 CA ALA A 527 164.501 189.236 192.284 1.00 37.73 C +ATOM 7945 C ALA A 527 164.505 190.481 193.181 1.00 34.20 C +ATOM 7946 O ALA A 527 165.047 190.438 194.283 1.00 30.96 O +ATOM 7947 CB ALA A 527 165.631 189.327 191.261 1.00 38.39 C +ATOM 7948 H ALA A 527 163.295 188.955 190.746 1.00 45.63 H +ATOM 7949 HA ALA A 527 164.688 188.473 192.853 1.00 45.28 H +ATOM 7950 HB1 ALA A 527 166.467 189.485 191.727 1.00 46.07 H +ATOM 7951 HB2 ALA A 527 165.679 188.492 190.769 1.00 46.07 H +ATOM 7952 HB3 ALA A 527 165.447 190.059 190.652 1.00 46.07 H +ATOM 7953 N PRO A 528 163.908 191.592 192.717 1.00 34.60 N +ATOM 7954 CA PRO A 528 163.844 192.797 193.554 1.00 37.05 C +ATOM 7955 C PRO A 528 163.071 192.610 194.863 1.00 33.72 C +ATOM 7956 O PRO A 528 163.559 193.004 195.921 1.00 35.88 O +ATOM 7957 CB PRO A 528 163.126 193.804 192.651 1.00 34.68 C +ATOM 7958 CG PRO A 528 163.399 193.340 191.282 1.00 33.84 C +ATOM 7959 CD PRO A 528 163.392 191.854 191.362 1.00 36.50 C +ATOM 7960 HA PRO A 528 164.737 193.120 193.750 1.00 44.46 H +ATOM 7961 HB2 PRO A 528 162.174 193.790 192.836 1.00 41.62 H +ATOM 7962 HB3 PRO A 528 163.493 194.691 192.793 1.00 41.62 H +ATOM 7963 HG2 PRO A 528 162.701 193.654 190.686 1.00 40.61 H +ATOM 7964 HG3 PRO A 528 164.267 193.663 190.994 1.00 40.61 H +ATOM 7965 HD2 PRO A 528 162.488 191.514 191.272 1.00 43.80 H +ATOM 7966 HD3 PRO A 528 163.985 191.476 190.694 1.00 43.80 H +ATOM 7967 N PHE A 529 161.874 192.040 194.782 1.00 24.72 N +ATOM 7968 CA PHE A 529 161.087 191.741 195.974 1.00 28.83 C +ATOM 7969 C PHE A 529 161.892 190.886 196.947 1.00 31.04 C +ATOM 7970 O PHE A 529 161.895 191.129 198.153 1.00 26.26 O +ATOM 7971 CB PHE A 529 159.794 191.013 195.600 1.00 28.12 C +ATOM 7972 CG PHE A 529 158.823 191.844 194.808 1.00 23.41 C +ATOM 7973 CD1 PHE A 529 158.480 193.120 195.217 1.00 24.91 C +ATOM 7974 CD2 PHE A 529 158.247 191.341 193.656 1.00 26.31 C +ATOM 7975 CE1 PHE A 529 157.584 193.876 194.492 1.00 27.68 C +ATOM 7976 CE2 PHE A 529 157.350 192.095 192.926 1.00 29.57 C +ATOM 7977 CZ PHE A 529 157.018 193.363 193.345 1.00 26.98 C +ATOM 7978 H PHE A 529 161.492 191.815 194.044 1.00 29.67 H +ATOM 7979 HA PHE A 529 160.853 192.570 196.419 1.00 34.60 H +ATOM 7980 HB2 PHE A 529 160.018 190.234 195.068 1.00 33.74 H +ATOM 7981 HB3 PHE A 529 159.347 190.735 196.415 1.00 33.74 H +ATOM 7982 HD1 PHE A 529 158.857 193.472 195.991 1.00 29.89 H +ATOM 7983 HD2 PHE A 529 158.467 190.484 193.369 1.00 31.57 H +ATOM 7984 HE1 PHE A 529 157.362 194.733 194.776 1.00 33.21 H +ATOM 7985 HE2 PHE A 529 156.970 191.746 192.152 1.00 35.48 H +ATOM 7986 HZ PHE A 529 156.415 193.873 192.854 1.00 32.38 H +ATOM 7987 N SER A 530 162.579 189.886 196.406 1.00 24.45 N +ATOM 7988 CA SER A 530 163.335 188.940 197.214 1.00 31.77 C +ATOM 7989 C SER A 530 164.488 189.614 197.948 1.00 24.33 C +ATOM 7990 O SER A 530 164.605 189.509 199.164 1.00 27.70 O +ATOM 7991 CB SER A 530 163.871 187.809 196.334 1.00 30.92 C +ATOM 7992 OG SER A 530 164.668 186.912 197.088 1.00 31.98 O +ATOM 7993 H SER A 530 162.622 189.733 195.561 1.00 29.33 H +ATOM 7994 HA SER A 530 162.745 188.549 197.877 1.00 38.12 H +ATOM 7995 HB2 SER A 530 163.122 187.323 195.954 1.00 37.10 H +ATOM 7996 HB3 SER A 530 164.412 188.191 195.625 1.00 37.10 H +ATOM 7997 HG SER A 530 164.955 186.298 196.592 1.00 38.37 H +ATOM 7998 N LEU A 531 165.339 190.304 197.200 1.00 33.20 N +ATOM 7999 CA LEU A 531 166.519 190.938 197.771 1.00 33.29 C +ATOM 8000 C LEU A 531 166.141 192.008 198.781 1.00 31.46 C +ATOM 8001 O LEU A 531 166.828 192.204 199.783 1.00 27.21 O +ATOM 8002 CB LEU A 531 167.375 191.544 196.667 1.00 31.19 C +ATOM 8003 CG LEU A 531 168.035 190.520 195.749 1.00 34.40 C +ATOM 8004 CD1 LEU A 531 168.548 191.195 194.489 1.00 56.22 C +ATOM 8005 CD2 LEU A 531 169.162 189.815 196.480 1.00 30.73 C +ATOM 8006 H LEU A 531 165.254 190.421 196.353 1.00 39.84 H +ATOM 8007 HA LEU A 531 167.049 190.266 198.228 1.00 39.95 H +ATOM 8008 HB2 LEU A 531 166.815 192.115 196.117 1.00 37.43 H +ATOM 8009 HB3 LEU A 531 168.080 192.072 197.074 1.00 37.43 H +ATOM 8010 HG LEU A 531 167.379 189.855 195.490 1.00 41.28 H +ATOM 8011 HD11 LEU A 531 168.963 190.528 193.920 1.00 67.46 H +ATOM 8012 HD12 LEU A 531 167.802 191.607 194.026 1.00 67.46 H +ATOM 8013 HD13 LEU A 531 169.198 191.871 194.735 1.00 67.46 H +ATOM 8014 HD21 LEU A 531 169.569 189.168 195.882 1.00 36.87 H +ATOM 8015 HD22 LEU A 531 169.820 190.472 196.755 1.00 36.87 H +ATOM 8016 HD23 LEU A 531 168.798 189.363 197.258 1.00 36.87 H +ATOM 8017 N LYS A 532 165.044 192.697 198.503 1.00 27.65 N +ATOM 8018 CA LYS A 532 164.569 193.761 199.370 1.00 25.70 C +ATOM 8019 C LYS A 532 164.067 193.187 200.695 1.00 31.72 C +ATOM 8020 O LYS A 532 164.187 193.819 201.744 1.00 34.66 O +ATOM 8021 CB LYS A 532 163.469 194.549 198.661 1.00 30.61 C +ATOM 8022 CG LYS A 532 162.951 195.738 199.425 1.00 45.05 C +ATOM 8023 CD LYS A 532 164.026 196.780 199.660 1.00 34.46 C +ATOM 8024 CE LYS A 532 163.453 197.947 200.427 1.00 31.88 C +ATOM 8025 NZ LYS A 532 164.480 198.658 201.207 1.00 39.49 N +ATOM 8026 H LYS A 532 164.553 192.565 197.810 1.00 33.17 H +ATOM 8027 HA LYS A 532 165.301 194.368 199.561 1.00 30.84 H +ATOM 8028 HB2 LYS A 532 163.817 194.873 197.815 1.00 36.73 H +ATOM 8029 HB3 LYS A 532 162.719 193.955 198.498 1.00 36.73 H +ATOM 8030 HG2 LYS A 532 162.233 196.152 198.920 1.00 54.06 H +ATOM 8031 HG3 LYS A 532 162.623 195.442 200.289 1.00 54.06 H +ATOM 8032 HD2 LYS A 532 164.747 196.392 200.180 1.00 41.36 H +ATOM 8033 HD3 LYS A 532 164.357 197.104 198.807 1.00 41.36 H +ATOM 8034 HE2 LYS A 532 163.060 198.577 199.803 1.00 38.25 H +ATOM 8035 HE3 LYS A 532 162.778 197.622 201.043 1.00 38.25 H +ATOM 8036 HZ1 LYS A 532 164.111 199.338 201.647 1.00 47.38 H +ATOM 8037 HZ2 LYS A 532 164.854 198.103 201.794 1.00 47.38 H +ATOM 8038 HZ3 LYS A 532 165.111 198.973 200.664 1.00 47.38 H +ATOM 8039 N GLY A 533 163.512 191.981 200.641 1.00 30.31 N +ATOM 8040 CA GLY A 533 163.054 191.302 201.838 1.00 25.77 C +ATOM 8041 C GLY A 533 164.218 190.746 202.637 1.00 33.28 C +ATOM 8042 O GLY A 533 164.170 190.687 203.865 1.00 33.19 O +ATOM 8043 H GLY A 533 163.390 191.535 199.916 1.00 36.37 H +ATOM 8044 HA2 GLY A 533 162.561 191.923 202.397 1.00 30.92 H +ATOM 8045 HA3 GLY A 533 162.467 190.570 201.593 1.00 30.92 H +ATOM 8046 N LEU A 534 165.271 190.347 201.934 1.00 29.03 N +ATOM 8047 CA LEU A 534 166.434 189.736 202.565 1.00 32.28 C +ATOM 8048 C LEU A 534 167.371 190.772 203.192 1.00 25.76 C +ATOM 8049 O LEU A 534 167.691 190.685 204.377 1.00 30.35 O +ATOM 8050 CB LEU A 534 167.195 188.889 201.542 1.00 29.72 C +ATOM 8051 CG LEU A 534 166.442 187.658 201.031 1.00 26.26 C +ATOM 8052 CD1 LEU A 534 167.065 187.136 199.749 1.00 32.55 C +ATOM 8053 CD2 LEU A 534 166.414 186.569 202.090 1.00 28.09 C +ATOM 8054 H LEU A 534 165.337 190.419 201.080 1.00 34.84 H +ATOM 8055 HA LEU A 534 166.131 189.145 203.272 1.00 38.74 H +ATOM 8056 HB2 LEU A 534 167.402 189.445 200.774 1.00 35.66 H +ATOM 8057 HB3 LEU A 534 168.019 188.579 201.950 1.00 35.66 H +ATOM 8058 HG LEU A 534 165.525 187.908 200.836 1.00 31.51 H +ATOM 8059 HD11 LEU A 534 166.568 186.358 199.450 1.00 39.06 H +ATOM 8060 HD12 LEU A 534 167.028 187.831 199.074 1.00 39.06 H +ATOM 8061 HD13 LEU A 534 167.987 186.892 199.923 1.00 39.06 H +ATOM 8062 HD21 LEU A 534 165.932 185.802 201.741 1.00 33.71 H +ATOM 8063 HD22 LEU A 534 167.325 186.316 202.307 1.00 33.71 H +ATOM 8064 HD23 LEU A 534 165.968 186.909 202.881 1.00 33.71 H +ATOM 8065 N MET A 535 167.805 191.750 202.403 1.00 27.88 N +ATOM 8066 CA MET A 535 168.753 192.751 202.884 1.00 29.91 C +ATOM 8067 C MET A 535 168.060 193.877 203.644 1.00 30.68 C +ATOM 8068 O MET A 535 168.704 194.617 204.387 1.00 29.98 O +ATOM 8069 CB MET A 535 169.557 193.331 201.720 1.00 28.22 C +ATOM 8070 CG MET A 535 170.387 192.306 200.951 1.00 33.10 C +ATOM 8071 SD MET A 535 171.418 191.253 201.994 1.00 31.93 S +ATOM 8072 CE MET A 535 172.508 192.456 202.751 1.00 30.75 C +ATOM 8073 H MET A 535 167.566 191.856 201.584 1.00 33.46 H +ATOM 8074 HA MET A 535 169.380 192.316 203.484 1.00 35.89 H +ATOM 8075 HB2 MET A 535 168.942 193.742 201.093 1.00 33.87 H +ATOM 8076 HB3 MET A 535 170.165 194.002 202.068 1.00 33.87 H +ATOM 8077 HG2 MET A 535 169.787 191.730 200.453 1.00 39.72 H +ATOM 8078 HG3 MET A 535 170.973 192.778 200.338 1.00 39.72 H +ATOM 8079 HE1 MET A 535 173.121 191.996 203.346 1.00 36.91 H +ATOM 8080 HE2 MET A 535 173.004 192.915 202.055 1.00 36.91 H +ATOM 8081 HE3 MET A 535 171.975 193.093 203.252 1.00 36.91 H +ATOM 8082 N GLY A 536 166.751 194.005 203.461 1.00 28.21 N +ATOM 8083 CA GLY A 536 165.982 195.014 204.166 1.00 32.78 C +ATOM 8084 C GLY A 536 165.719 194.641 205.612 1.00 28.91 C +ATOM 8085 O GLY A 536 165.145 195.425 206.365 1.00 38.24 O +ATOM 8086 H GLY A 536 166.285 193.515 202.929 1.00 33.85 H +ATOM 8087 HA2 GLY A 536 166.464 195.856 204.149 1.00 39.34 H +ATOM 8088 HA3 GLY A 536 165.130 195.139 203.721 1.00 39.34 H +ATOM 8089 N ASN A 537 166.132 193.440 205.999 1.00 32.06 N +ATOM 8090 CA ASN A 537 165.970 192.970 207.368 1.00 28.47 C +ATOM 8091 C ASN A 537 166.822 193.774 208.346 1.00 29.17 C +ATOM 8092 O ASN A 537 167.960 194.135 208.042 1.00 25.48 O +ATOM 8093 CB ASN A 537 166.330 191.487 207.452 1.00 31.53 C +ATOM 8094 CG ASN A 537 165.869 190.844 208.743 1.00 30.50 C +ATOM 8095 OD1 ASN A 537 166.513 190.975 209.781 1.00 22.83 O +ATOM 8096 ND2 ASN A 537 164.750 190.137 208.681 1.00 24.96 N +ATOM 8097 H ASN A 537 166.515 192.872 205.480 1.00 38.47 H +ATOM 8098 HA ASN A 537 165.041 193.069 207.628 1.00 34.17 H +ATOM 8099 HB2 ASN A 537 165.909 191.018 206.715 1.00 37.83 H +ATOM 8100 HB3 ASN A 537 167.294 191.393 207.398 1.00 37.83 H +ATOM 8101 HD21 ASN A 537 164.445 189.751 209.386 1.00 29.96 H +ATOM 8102 HD22 ASN A 537 164.328 190.063 207.935 1.00 29.96 H +ATOM 8103 N VAL A 538 166.266 194.043 209.524 1.00 23.28 N +ATOM 8104 CA VAL A 538 166.926 194.866 210.534 1.00 23.83 C +ATOM 8105 C VAL A 538 168.325 194.366 210.920 1.00 21.15 C +ATOM 8106 O VAL A 538 169.196 195.173 211.238 1.00 18.82 O +ATOM 8107 CB VAL A 538 166.054 194.969 211.827 1.00 26.78 C +ATOM 8108 CG1 VAL A 538 165.661 193.596 212.331 1.00 29.58 C +ATOM 8109 CG2 VAL A 538 166.771 195.752 212.920 1.00 22.37 C +ATOM 8110 H VAL A 538 165.492 193.755 209.766 1.00 27.93 H +ATOM 8111 HA VAL A 538 167.027 195.763 210.179 1.00 28.60 H +ATOM 8112 HB VAL A 538 165.238 195.447 211.611 1.00 32.14 H +ATOM 8113 HG11 VAL A 538 165.122 193.696 213.131 1.00 35.50 H +ATOM 8114 HG12 VAL A 538 165.150 193.142 211.642 1.00 35.50 H +ATOM 8115 HG13 VAL A 538 166.465 193.092 212.534 1.00 35.50 H +ATOM 8116 HG21 VAL A 538 166.201 195.795 213.703 1.00 26.84 H +ATOM 8117 HG22 VAL A 538 167.601 195.300 213.139 1.00 26.84 H +ATOM 8118 HG23 VAL A 538 166.957 196.648 212.596 1.00 26.84 H +ATOM 8119 N ILE A 539 168.548 193.055 210.894 1.00 22.28 N +ATOM 8120 CA ILE A 539 169.844 192.524 211.316 1.00 30.70 C +ATOM 8121 C ILE A 539 170.954 192.881 210.323 1.00 31.38 C +ATOM 8122 O ILE A 539 172.138 192.753 210.634 1.00 23.39 O +ATOM 8123 CB ILE A 539 169.827 190.986 211.509 1.00 24.80 C +ATOM 8124 CG1 ILE A 539 169.736 190.234 210.172 1.00 28.37 C +ATOM 8125 CG2 ILE A 539 168.689 190.576 212.437 1.00 25.69 C +ATOM 8126 CD1 ILE A 539 170.258 188.826 210.253 1.00 35.14 C +ATOM 8127 H ILE A 539 167.980 192.461 210.642 1.00 26.74 H +ATOM 8128 HA ILE A 539 170.077 192.923 212.169 1.00 36.85 H +ATOM 8129 HB ILE A 539 170.661 190.732 211.935 1.00 29.76 H +ATOM 8130 HG12 ILE A 539 168.807 190.193 209.896 1.00 34.04 H +ATOM 8131 HG13 ILE A 539 170.258 190.709 209.507 1.00 34.04 H +ATOM 8132 HG21 ILE A 539 168.700 189.612 212.542 1.00 30.83 H +ATOM 8133 HG22 ILE A 539 168.815 191.005 213.298 1.00 30.83 H +ATOM 8134 HG23 ILE A 539 167.847 190.858 212.047 1.00 30.83 H +ATOM 8135 HD11 ILE A 539 170.174 188.408 209.382 1.00 42.17 H +ATOM 8136 HD12 ILE A 539 171.190 188.851 210.520 1.00 42.17 H +ATOM 8137 HD13 ILE A 539 169.739 188.334 210.909 1.00 42.17 H +ATOM 8138 N CYS A 540 170.566 193.319 209.129 1.00 24.82 N +ATOM 8139 CA CYS A 540 171.525 193.725 208.109 1.00 25.56 C +ATOM 8140 C CYS A 540 171.925 195.190 208.266 1.00 27.27 C +ATOM 8141 O CYS A 540 172.855 195.655 207.607 1.00 32.01 O +ATOM 8142 CB CYS A 540 170.951 193.493 206.709 1.00 31.94 C +ATOM 8143 SG CYS A 540 170.522 191.778 206.346 1.00 26.87 S +ATOM 8144 H CYS A 540 169.744 193.390 208.884 1.00 29.78 H +ATOM 8145 HA CYS A 540 172.326 193.185 208.197 1.00 30.67 H +ATOM 8146 HB2 CYS A 540 170.144 194.024 206.614 1.00 38.33 H +ATOM 8147 HB3 CYS A 540 171.607 193.777 206.054 1.00 38.33 H +ATOM 8148 HG CYS A 540 171.508 191.101 206.439 1.00 32.24 H +ATOM 8149 N SER A 541 171.223 195.917 209.131 1.00 26.23 N +ATOM 8150 CA SER A 541 171.537 197.323 209.371 1.00 28.28 C +ATOM 8151 C SER A 541 172.813 197.433 210.212 1.00 24.13 C +ATOM 8152 O SER A 541 173.101 196.550 211.015 1.00 23.87 O +ATOM 8153 CB SER A 541 170.368 198.030 210.066 1.00 29.45 C +ATOM 8154 OG SER A 541 170.212 197.591 211.405 1.00 20.54 O +ATOM 8155 H SER A 541 170.560 195.620 209.591 1.00 31.47 H +ATOM 8156 HA SER A 541 171.696 197.764 208.522 1.00 33.93 H +ATOM 8157 HB2 SER A 541 170.536 198.986 210.067 1.00 35.33 H +ATOM 8158 HB3 SER A 541 169.552 197.840 209.577 1.00 35.33 H +ATOM 8159 HG SER A 541 170.064 196.765 211.421 1.00 24.65 H +ATOM 8160 N PRO A 542 173.584 198.518 210.027 1.00 21.08 N +ATOM 8161 CA PRO A 542 174.887 198.643 210.695 1.00 26.27 C +ATOM 8162 C PRO A 542 174.829 198.586 212.226 1.00 30.32 C +ATOM 8163 O PRO A 542 175.780 198.100 212.838 1.00 32.00 O +ATOM 8164 CB PRO A 542 175.397 200.013 210.224 1.00 23.51 C +ATOM 8165 CG PRO A 542 174.230 200.704 209.614 1.00 22.21 C +ATOM 8166 CD PRO A 542 173.326 199.641 209.111 1.00 23.44 C +ATOM 8167 HA PRO A 542 175.491 197.954 210.376 1.00 31.52 H +ATOM 8168 HB2 PRO A 542 175.729 200.514 210.986 1.00 28.21 H +ATOM 8169 HB3 PRO A 542 176.100 199.888 209.567 1.00 28.21 H +ATOM 8170 HG2 PRO A 542 173.782 201.238 210.289 1.00 26.65 H +ATOM 8171 HG3 PRO A 542 174.533 201.265 208.883 1.00 26.65 H +ATOM 8172 HD2 PRO A 542 172.400 199.925 209.175 1.00 28.12 H +ATOM 8173 HD3 PRO A 542 173.562 199.398 208.202 1.00 28.12 H +ATOM 8174 N ALA A 543 173.747 199.061 212.835 1.00 28.63 N +ATOM 8175 CA ALA A 543 173.617 199.002 214.290 1.00 29.08 C +ATOM 8176 C ALA A 543 173.533 197.559 214.793 1.00 31.70 C +ATOM 8177 O ALA A 543 173.963 197.257 215.906 1.00 19.99 O +ATOM 8178 CB ALA A 543 172.396 199.781 214.741 1.00 27.01 C +ATOM 8179 H ALA A 543 173.077 199.419 212.432 1.00 34.36 H +ATOM 8180 HA ALA A 543 174.398 199.413 214.692 1.00 34.89 H +ATOM 8181 HB1 ALA A 543 172.329 199.729 215.707 1.00 32.42 H +ATOM 8182 HB2 ALA A 543 172.492 200.706 214.465 1.00 32.42 H +ATOM 8183 HB3 ALA A 543 171.606 199.393 214.333 1.00 32.42 H +ATOM 8184 N TYR A 544 172.982 196.675 213.966 1.00 25.76 N +ATOM 8185 CA TYR A 544 172.762 195.284 214.354 1.00 26.29 C +ATOM 8186 C TYR A 544 173.880 194.337 213.921 1.00 31.82 C +ATOM 8187 O TYR A 544 174.222 193.406 214.646 1.00 28.39 O +ATOM 8188 CB TYR A 544 171.442 194.785 213.772 1.00 23.01 C +ATOM 8189 CG TYR A 544 170.225 195.146 214.588 1.00 23.00 C +ATOM 8190 CD1 TYR A 544 169.736 196.446 214.607 1.00 25.05 C +ATOM 8191 CD2 TYR A 544 169.556 194.184 215.332 1.00 20.65 C +ATOM 8192 CE1 TYR A 544 168.620 196.774 215.348 1.00 29.85 C +ATOM 8193 CE2 TYR A 544 168.444 194.503 216.073 1.00 23.08 C +ATOM 8194 CZ TYR A 544 167.978 195.797 216.078 1.00 19.93 C +ATOM 8195 OH TYR A 544 166.868 196.111 216.816 1.00 25.69 O +ATOM 8196 H TYR A 544 172.724 196.858 213.166 1.00 30.91 H +ATOM 8197 HA TYR A 544 172.695 195.238 215.320 1.00 31.55 H +ATOM 8198 HB2 TYR A 544 171.328 195.167 212.888 1.00 27.62 H +ATOM 8199 HB3 TYR A 544 171.477 193.817 213.707 1.00 27.62 H +ATOM 8200 HD1 TYR A 544 170.168 197.105 214.113 1.00 30.06 H +ATOM 8201 HD2 TYR A 544 169.867 193.307 215.330 1.00 24.78 H +ATOM 8202 HE1 TYR A 544 168.302 197.648 215.354 1.00 35.83 H +ATOM 8203 HE2 TYR A 544 168.007 193.847 216.567 1.00 27.69 H +ATOM 8204 HH TYR A 544 166.691 196.928 216.734 1.00 30.83 H +ATOM 8205 N TRP A 545 174.439 194.560 212.736 1.00 28.50 N +ATOM 8206 CA TRP A 545 175.385 193.611 212.161 1.00 35.08 C +ATOM 8207 C TRP A 545 176.721 193.678 212.902 1.00 35.30 C +ATOM 8208 O TRP A 545 177.714 194.195 212.393 1.00 29.00 O +ATOM 8209 CB TRP A 545 175.563 193.873 210.667 1.00 33.25 C +ATOM 8210 CG TRP A 545 176.274 192.773 209.934 1.00 40.57 C +ATOM 8211 CD1 TRP A 545 177.479 192.858 209.300 1.00 39.26 C +ATOM 8212 CD2 TRP A 545 175.825 191.422 209.760 1.00 37.47 C +ATOM 8213 NE1 TRP A 545 177.806 191.649 208.739 1.00 37.68 N +ATOM 8214 CE2 TRP A 545 176.809 190.750 209.008 1.00 37.59 C +ATOM 8215 CE3 TRP A 545 174.689 190.716 210.165 1.00 35.13 C +ATOM 8216 CZ2 TRP A 545 176.693 189.411 208.653 1.00 36.48 C +ATOM 8217 CZ3 TRP A 545 174.575 189.385 209.812 1.00 34.27 C +ATOM 8218 CH2 TRP A 545 175.572 188.746 209.063 1.00 33.73 C +ATOM 8219 H TRP A 545 174.288 195.251 212.246 1.00 34.20 H +ATOM 8220 HA TRP A 545 175.032 192.713 212.266 1.00 42.10 H +ATOM 8221 HB2 TRP A 545 174.688 193.981 210.263 1.00 39.90 H +ATOM 8222 HB3 TRP A 545 176.080 194.686 210.553 1.00 39.90 H +ATOM 8223 HD1 TRP A 545 178.001 193.626 209.250 1.00 47.11 H +ATOM 8224 HE1 TRP A 545 178.522 191.482 208.293 1.00 45.21 H +ATOM 8225 HE3 TRP A 545 174.023 191.134 210.662 1.00 42.16 H +ATOM 8226 HZ2 TRP A 545 177.353 188.984 208.157 1.00 43.78 H +ATOM 8227 HZ3 TRP A 545 173.824 188.905 210.076 1.00 41.13 H +ATOM 8228 HH2 TRP A 545 175.468 187.849 208.840 1.00 40.48 H +ATOM 8229 N LYS A 546 176.706 193.132 214.114 1.00 36.64 N +ATOM 8230 CA LYS A 546 177.815 193.169 215.055 1.00 32.34 C +ATOM 8231 C LYS A 546 177.899 191.804 215.724 1.00 36.49 C +ATOM 8232 O LYS A 546 176.867 191.175 215.943 1.00 37.62 O +ATOM 8233 CB LYS A 546 177.599 194.242 216.125 1.00 38.20 C +ATOM 8234 CG LYS A 546 177.813 195.682 215.709 1.00 41.07 C +ATOM 8235 CD LYS A 546 177.249 196.597 216.790 1.00 42.20 C +ATOM 8236 CE LYS A 546 177.925 197.957 216.839 1.00 63.98 C +ATOM 8237 NZ LYS A 546 177.466 198.870 215.768 1.00 58.72 N +ATOM 8238 H LYS A 546 176.023 192.713 214.427 1.00 43.97 H +ATOM 8239 HA LYS A 546 178.646 193.347 214.587 1.00 38.81 H +ATOM 8240 HB2 LYS A 546 176.686 194.170 216.445 1.00 45.84 H +ATOM 8241 HB3 LYS A 546 178.209 194.064 216.858 1.00 45.84 H +ATOM 8242 HG2 LYS A 546 178.762 195.859 215.613 1.00 49.29 H +ATOM 8243 HG3 LYS A 546 177.345 195.856 214.877 1.00 49.29 H +ATOM 8244 HD2 LYS A 546 176.305 196.740 216.621 1.00 50.64 H +ATOM 8245 HD3 LYS A 546 177.369 196.174 217.655 1.00 50.64 H +ATOM 8246 HE2 LYS A 546 177.730 198.376 217.693 1.00 76.77 H +ATOM 8247 HE3 LYS A 546 178.882 197.837 216.740 1.00 76.77 H +ATOM 8248 HZ1 LYS A 546 177.886 199.652 215.835 1.00 70.46 H +ATOM 8249 HZ2 LYS A 546 177.640 198.515 214.971 1.00 70.46 H +ATOM 8250 HZ3 LYS A 546 176.589 199.006 215.840 1.00 70.46 H +ATOM 8251 N PRO A 547 179.111 191.336 216.066 1.00 35.16 N +ATOM 8252 CA PRO A 547 179.155 190.054 216.781 1.00 36.57 C +ATOM 8253 C PRO A 547 178.420 190.084 218.124 1.00 29.65 C +ATOM 8254 O PRO A 547 177.826 189.077 218.506 1.00 27.50 O +ATOM 8255 CB PRO A 547 180.660 189.804 216.981 1.00 34.78 C +ATOM 8256 CG PRO A 547 181.348 191.078 216.615 1.00 43.31 C +ATOM 8257 CD PRO A 547 180.450 191.796 215.667 1.00 39.83 C +ATOM 8258 HA PRO A 547 178.785 189.348 216.228 1.00 43.88 H +ATOM 8259 HB2 PRO A 547 180.830 189.580 217.909 1.00 41.74 H +ATOM 8260 HB3 PRO A 547 180.948 189.083 216.399 1.00 41.74 H +ATOM 8261 HG2 PRO A 547 181.489 191.609 217.414 1.00 51.97 H +ATOM 8262 HG3 PRO A 547 182.196 190.876 216.189 1.00 51.97 H +ATOM 8263 HD2 PRO A 547 180.528 192.755 215.787 1.00 47.79 H +ATOM 8264 HD3 PRO A 547 180.641 191.533 214.753 1.00 47.79 H +ATOM 8265 N SER A 548 178.447 191.217 218.818 1.00 26.02 N +ATOM 8266 CA SER A 548 177.768 191.344 220.107 1.00 31.60 C +ATOM 8267 C SER A 548 176.265 191.090 220.004 1.00 30.99 C +ATOM 8268 O SER A 548 175.637 190.645 220.965 1.00 33.88 O +ATOM 8269 CB SER A 548 178.009 192.731 220.702 1.00 31.06 C +ATOM 8270 OG SER A 548 177.644 193.747 219.788 1.00 28.58 O +ATOM 8271 H SER A 548 178.852 191.932 218.564 1.00 31.23 H +ATOM 8272 HA SER A 548 178.138 190.690 220.721 1.00 37.92 H +ATOM 8273 HB2 SER A 548 177.476 192.826 221.507 1.00 37.27 H +ATOM 8274 HB3 SER A 548 178.951 192.823 220.915 1.00 37.27 H +ATOM 8275 HG SER A 548 178.099 193.678 219.085 1.00 34.30 H +ATOM 8276 N THR A 549 175.693 191.379 218.841 1.00 25.78 N +ATOM 8277 CA THR A 549 174.267 191.169 218.615 1.00 27.23 C +ATOM 8278 C THR A 549 173.923 189.684 218.670 1.00 27.94 C +ATOM 8279 O THR A 549 172.829 189.304 219.086 1.00 26.17 O +ATOM 8280 CB THR A 549 173.825 191.751 217.254 1.00 28.56 C +ATOM 8281 OG1 THR A 549 173.956 193.177 217.279 1.00 22.69 O +ATOM 8282 CG2 THR A 549 172.376 191.394 216.933 1.00 26.34 C +ATOM 8283 H THR A 549 176.112 191.700 218.162 1.00 30.93 H +ATOM 8284 HA THR A 549 173.766 191.621 219.313 1.00 32.67 H +ATOM 8285 HB THR A 549 174.389 191.390 216.552 1.00 34.27 H +ATOM 8286 HG1 THR A 549 173.717 193.501 216.541 1.00 27.23 H +ATOM 8287 HG21 THR A 549 172.124 191.770 216.075 1.00 31.61 H +ATOM 8288 HG22 THR A 549 172.272 190.430 216.897 1.00 31.61 H +ATOM 8289 HG23 THR A 549 171.788 191.749 217.618 1.00 31.61 H +ATOM 8290 N PHE A 550 174.871 188.850 218.258 1.00 23.44 N +ATOM 8291 CA PHE A 550 174.639 187.416 218.143 1.00 34.37 C +ATOM 8292 C PHE A 550 175.419 186.625 219.193 1.00 29.47 C +ATOM 8293 O PHE A 550 175.700 185.445 219.007 1.00 26.60 O +ATOM 8294 CB PHE A 550 175.002 186.949 216.734 1.00 36.77 C +ATOM 8295 CG PHE A 550 174.390 187.790 215.649 1.00 30.63 C +ATOM 8296 CD1 PHE A 550 173.066 187.613 215.281 1.00 31.31 C +ATOM 8297 CD2 PHE A 550 175.133 188.763 215.006 1.00 22.65 C +ATOM 8298 CE1 PHE A 550 172.500 188.388 214.288 1.00 31.87 C +ATOM 8299 CE2 PHE A 550 174.573 189.539 214.014 1.00 26.72 C +ATOM 8300 CZ PHE A 550 173.257 189.354 213.653 1.00 33.39 C +ATOM 8301 H PHE A 550 175.665 189.093 218.036 1.00 28.13 H +ATOM 8302 HA PHE A 550 173.695 187.240 218.281 1.00 41.25 H +ATOM 8303 HB2 PHE A 550 175.966 186.985 216.630 1.00 44.12 H +ATOM 8304 HB3 PHE A 550 174.692 186.038 216.616 1.00 44.12 H +ATOM 8305 HD1 PHE A 550 172.554 186.964 215.706 1.00 37.57 H +ATOM 8306 HD2 PHE A 550 176.022 188.893 215.245 1.00 27.18 H +ATOM 8307 HE1 PHE A 550 171.611 188.260 214.046 1.00 38.24 H +ATOM 8308 HE2 PHE A 550 175.085 190.189 213.589 1.00 32.06 H +ATOM 8309 HZ PHE A 550 172.879 189.878 212.983 1.00 40.07 H +ATOM 8310 N GLY A 551 175.767 187.285 220.293 1.00 30.50 N +ATOM 8311 CA GLY A 551 176.372 186.616 221.431 1.00 33.93 C +ATOM 8312 C GLY A 551 177.886 186.502 221.380 1.00 35.60 C +ATOM 8313 O GLY A 551 178.488 185.883 222.254 1.00 34.29 O +ATOM 8314 H GLY A 551 175.659 188.131 220.404 1.00 36.60 H +ATOM 8315 HA2 GLY A 551 176.137 187.097 222.240 1.00 40.72 H +ATOM 8316 HA3 GLY A 551 176.008 185.720 221.499 1.00 40.72 H +ATOM 8317 N GLY A 552 178.499 187.101 220.364 1.00 32.86 N +ATOM 8318 CA GLY A 552 179.942 187.050 220.194 1.00 28.15 C +ATOM 8319 C GLY A 552 180.340 186.489 218.843 1.00 31.62 C +ATOM 8320 O GLY A 552 179.499 186.289 217.971 1.00 32.66 O +ATOM 8321 H GLY A 552 178.093 187.549 219.753 1.00 39.43 H +ATOM 8322 HA2 GLY A 552 180.309 187.944 220.277 1.00 33.78 H +ATOM 8323 HA3 GLY A 552 180.330 186.492 220.886 1.00 33.78 H +ATOM 8324 N GLU A 553 181.629 186.222 218.677 1.00 36.81 N +ATOM 8325 CA GLU A 553 182.160 185.771 217.397 1.00 32.68 C +ATOM 8326 C GLU A 553 181.686 184.368 217.023 1.00 30.70 C +ATOM 8327 O GLU A 553 181.524 184.063 215.845 1.00 30.11 O +ATOM 8328 CB GLU A 553 183.688 185.806 217.420 1.00 30.36 C +ATOM 8329 CG GLU A 553 184.269 187.202 217.581 1.00 38.18 C +ATOM 8330 CD GLU A 553 184.069 188.079 216.357 1.00 46.63 C +ATOM 8331 OE1 GLU A 553 183.602 187.571 215.314 1.00 40.13 O +ATOM 8332 OE2 GLU A 553 184.387 189.284 216.439 1.00 45.85 O +ATOM 8333 H GLU A 553 182.223 186.295 219.295 1.00 44.17 H +ATOM 8334 HA GLU A 553 181.860 186.379 216.703 1.00 39.22 H +ATOM 8335 HB2 GLU A 553 184.001 185.267 218.164 1.00 36.43 H +ATOM 8336 HB3 GLU A 553 184.021 185.440 216.586 1.00 36.43 H +ATOM 8337 HG2 GLU A 553 183.840 187.637 218.333 1.00 45.81 H +ATOM 8338 HG3 GLU A 553 185.223 187.128 217.742 1.00 45.81 H +ATOM 8339 N VAL A 554 181.472 183.517 218.021 1.00 29.35 N +ATOM 8340 CA VAL A 554 181.026 182.154 217.766 1.00 29.49 C +ATOM 8341 C VAL A 554 179.629 182.171 217.167 1.00 30.96 C +ATOM 8342 O VAL A 554 179.386 181.554 216.132 1.00 30.89 O +ATOM 8343 CB VAL A 554 181.041 181.299 219.052 1.00 36.05 C +ATOM 8344 CG1 VAL A 554 180.417 179.921 218.808 1.00 32.69 C +ATOM 8345 CG2 VAL A 554 182.463 181.145 219.560 1.00 33.98 C +ATOM 8346 H VAL A 554 181.578 183.705 218.853 1.00 35.21 H +ATOM 8347 HA VAL A 554 181.624 181.740 217.123 1.00 35.38 H +ATOM 8348 HB VAL A 554 180.522 181.748 219.738 1.00 43.26 H +ATOM 8349 HG11 VAL A 554 180.443 179.413 219.633 1.00 39.23 H +ATOM 8350 HG12 VAL A 554 179.499 180.038 218.518 1.00 39.23 H +ATOM 8351 HG13 VAL A 554 180.926 179.463 218.121 1.00 39.23 H +ATOM 8352 HG21 VAL A 554 182.453 180.607 220.367 1.00 40.78 H +ATOM 8353 HG22 VAL A 554 182.996 180.709 218.877 1.00 40.78 H +ATOM 8354 HG23 VAL A 554 182.826 182.024 219.752 1.00 40.78 H +ATOM 8355 N GLY A 555 178.714 182.879 217.820 1.00 33.69 N +ATOM 8356 CA GLY A 555 177.364 183.022 217.314 1.00 30.50 C +ATOM 8357 C GLY A 555 177.362 183.676 215.949 1.00 28.99 C +ATOM 8358 O GLY A 555 176.619 183.276 215.053 1.00 22.08 O +ATOM 8359 H GLY A 555 178.856 183.288 218.563 1.00 40.42 H +ATOM 8360 HA2 GLY A 555 176.947 182.149 217.241 1.00 36.60 H +ATOM 8361 HA3 GLY A 555 176.841 183.567 217.922 1.00 36.60 H +ATOM 8362 N PHE A 556 178.206 184.690 215.796 1.00 31.29 N +ATOM 8363 CA PHE A 556 178.315 185.427 214.544 1.00 29.04 C +ATOM 8364 C PHE A 556 178.782 184.501 213.424 1.00 34.58 C +ATOM 8365 O PHE A 556 178.341 184.620 212.279 1.00 29.89 O +ATOM 8366 CB PHE A 556 179.288 186.603 214.717 1.00 31.45 C +ATOM 8367 CG PHE A 556 179.126 187.710 213.704 1.00 32.16 C +ATOM 8368 CD1 PHE A 556 177.884 188.051 213.203 1.00 31.08 C +ATOM 8369 CD2 PHE A 556 180.234 188.419 213.266 1.00 37.69 C +ATOM 8370 CE1 PHE A 556 177.748 189.069 212.282 1.00 33.41 C +ATOM 8371 CE2 PHE A 556 180.104 189.439 212.346 1.00 39.41 C +ATOM 8372 CZ PHE A 556 178.857 189.767 211.854 1.00 40.96 C +ATOM 8373 H PHE A 556 178.734 184.974 216.412 1.00 37.55 H +ATOM 8374 HA PHE A 556 177.445 185.782 214.303 1.00 34.85 H +ATOM 8375 HB2 PHE A 556 179.154 186.988 215.597 1.00 37.74 H +ATOM 8376 HB3 PHE A 556 180.195 186.267 214.643 1.00 37.74 H +ATOM 8377 HD1 PHE A 556 177.130 187.586 213.488 1.00 37.29 H +ATOM 8378 HD2 PHE A 556 181.076 188.204 213.595 1.00 45.23 H +ATOM 8379 HE1 PHE A 556 176.906 189.287 211.952 1.00 40.09 H +ATOM 8380 HE2 PHE A 556 180.855 189.906 212.059 1.00 47.30 H +ATOM 8381 HZ PHE A 556 178.766 190.452 211.232 1.00 49.15 H +ATOM 8382 N GLN A 557 179.675 183.575 213.763 1.00 29.42 N +ATOM 8383 CA GLN A 557 180.255 182.676 212.772 1.00 36.19 C +ATOM 8384 C GLN A 557 179.247 181.644 212.280 1.00 30.10 C +ATOM 8385 O GLN A 557 179.337 181.173 211.147 1.00 28.87 O +ATOM 8386 CB GLN A 557 181.480 181.959 213.346 1.00 39.73 C +ATOM 8387 CG GLN A 557 182.794 182.314 212.665 1.00 51.11 C +ATOM 8388 CD GLN A 557 183.571 181.090 212.228 1.00 61.89 C +ATOM 8389 OE1 GLN A 557 183.705 180.121 212.977 1.00 59.45 O +ATOM 8390 NE2 GLN A 557 184.082 181.124 211.004 1.00 63.36 N +ATOM 8391 H GLN A 557 179.962 183.448 214.564 1.00 35.30 H +ATOM 8392 HA GLN A 557 180.546 183.197 212.007 1.00 43.43 H +ATOM 8393 HB2 GLN A 557 181.563 182.190 214.284 1.00 47.68 H +ATOM 8394 HB3 GLN A 557 181.351 181.002 213.255 1.00 47.68 H +ATOM 8395 HG2 GLN A 557 182.608 182.849 211.878 1.00 61.33 H +ATOM 8396 HG3 GLN A 557 183.347 182.815 213.285 1.00 61.33 H +ATOM 8397 HE21 GLN A 557 183.963 181.816 210.508 1.00 76.03 H +ATOM 8398 HE22 GLN A 557 184.532 180.454 210.707 1.00 76.03 H +ATOM 8399 N ILE A 558 178.296 181.290 213.139 1.00 30.21 N +ATOM 8400 CA ILE A 558 177.241 180.359 212.763 1.00 27.96 C +ATOM 8401 C ILE A 558 176.491 180.909 211.556 1.00 29.38 C +ATOM 8402 O ILE A 558 176.189 180.181 210.615 1.00 30.35 O +ATOM 8403 CB ILE A 558 176.260 180.107 213.930 1.00 27.92 C +ATOM 8404 CG1 ILE A 558 176.975 179.364 215.063 1.00 26.77 C +ATOM 8405 CG2 ILE A 558 175.048 179.307 213.457 1.00 22.29 C +ATOM 8406 CD1 ILE A 558 176.146 179.183 216.317 1.00 25.84 C +ATOM 8407 H ILE A 558 178.240 181.576 213.948 1.00 36.26 H +ATOM 8408 HA ILE A 558 177.639 179.510 212.512 1.00 33.55 H +ATOM 8409 HB ILE A 558 175.953 180.963 214.267 1.00 33.51 H +ATOM 8410 HG12 ILE A 558 177.226 178.483 214.747 1.00 32.12 H +ATOM 8411 HG13 ILE A 558 177.771 179.863 215.307 1.00 32.12 H +ATOM 8412 HG21 ILE A 558 174.451 179.164 214.208 1.00 26.75 H +ATOM 8413 HG22 ILE A 558 174.591 179.807 212.762 1.00 26.75 H +ATOM 8414 HG23 ILE A 558 175.350 178.454 213.107 1.00 26.75 H +ATOM 8415 HD11 ILE A 558 176.673 178.707 216.977 1.00 31.00 H +ATOM 8416 HD12 ILE A 558 175.897 180.056 216.659 1.00 31.00 H +ATOM 8417 HD13 ILE A 558 175.351 178.673 216.097 1.00 31.00 H +ATOM 8418 N ILE A 559 176.205 182.204 211.588 1.00 28.24 N +ATOM 8419 CA ILE A 559 175.530 182.860 210.480 1.00 34.80 C +ATOM 8420 C ILE A 559 176.393 182.807 209.226 1.00 32.73 C +ATOM 8421 O ILE A 559 175.954 182.358 208.168 1.00 26.90 O +ATOM 8422 CB ILE A 559 175.200 184.331 210.818 1.00 34.66 C +ATOM 8423 CG1 ILE A 559 174.133 184.390 211.916 1.00 33.75 C +ATOM 8424 CG2 ILE A 559 174.726 185.086 209.571 1.00 34.24 C +ATOM 8425 CD1 ILE A 559 173.876 185.786 212.462 1.00 34.69 C +ATOM 8426 H ILE A 559 176.392 182.727 212.245 1.00 33.89 H +ATOM 8427 HA ILE A 559 174.698 182.397 210.295 1.00 41.76 H +ATOM 8428 HB ILE A 559 176.005 184.758 211.148 1.00 41.59 H +ATOM 8429 HG12 ILE A 559 173.297 184.056 211.556 1.00 40.50 H +ATOM 8430 HG13 ILE A 559 174.417 183.832 212.656 1.00 40.50 H +ATOM 8431 HG21 ILE A 559 174.527 186.004 209.815 1.00 41.09 H +ATOM 8432 HG22 ILE A 559 175.430 185.066 208.904 1.00 41.09 H +ATOM 8433 HG23 ILE A 559 173.930 184.655 209.224 1.00 41.09 H +ATOM 8434 HD11 ILE A 559 173.192 185.736 213.148 1.00 41.62 H +ATOM 8435 HD12 ILE A 559 174.699 186.134 212.840 1.00 41.62 H +ATOM 8436 HD13 ILE A 559 173.577 186.358 211.737 1.00 41.62 H +ATOM 8437 N ASN A 560 177.630 183.261 209.354 1.00 30.93 N +ATOM 8438 CA ASN A 560 178.472 183.476 208.191 1.00 37.96 C +ATOM 8439 C ASN A 560 179.083 182.198 207.610 1.00 33.60 C +ATOM 8440 O ASN A 560 179.734 182.252 206.574 1.00 36.61 O +ATOM 8441 CB ASN A 560 179.572 184.475 208.544 1.00 42.66 C +ATOM 8442 CG ASN A 560 179.026 185.875 208.777 1.00 42.04 C +ATOM 8443 OD1 ASN A 560 179.221 186.467 209.838 1.00 32.92 O +ATOM 8444 ND2 ASN A 560 178.324 186.403 207.783 1.00 31.73 N +ATOM 8445 H ASN A 560 178.006 183.453 210.104 1.00 37.11 H +ATOM 8446 HA ASN A 560 177.930 183.877 207.494 1.00 45.56 H +ATOM 8447 HB2 ASN A 560 180.016 184.186 209.357 1.00 51.19 H +ATOM 8448 HB3 ASN A 560 180.209 184.518 207.814 1.00 51.19 H +ATOM 8449 HD21 ASN A 560 177.992 187.193 207.863 1.00 38.07 H +ATOM 8450 HD22 ASN A 560 178.201 185.957 207.058 1.00 38.07 H +ATOM 8451 N THR A 561 178.858 181.057 208.262 1.00 32.71 N +ATOM 8452 CA THR A 561 179.291 179.761 207.733 1.00 32.23 C +ATOM 8453 C THR A 561 178.114 178.832 207.443 1.00 37.35 C +ATOM 8454 O THR A 561 178.306 177.642 207.194 1.00 43.11 O +ATOM 8455 CB THR A 561 180.246 179.031 208.704 1.00 32.29 C +ATOM 8456 OG1 THR A 561 179.586 178.809 209.958 1.00 33.01 O +ATOM 8457 CG2 THR A 561 181.510 179.839 208.930 1.00 32.83 C +ATOM 8458 H THR A 561 178.453 181.006 209.019 1.00 39.25 H +ATOM 8459 HA THR A 561 179.767 179.906 206.900 1.00 38.68 H +ATOM 8460 HB THR A 561 180.497 178.176 208.321 1.00 38.74 H +ATOM 8461 HG1 THR A 561 179.359 179.543 210.297 1.00 39.62 H +ATOM 8462 HG21 THR A 561 182.099 179.369 209.541 1.00 39.39 H +ATOM 8463 HG22 THR A 561 181.972 179.973 208.087 1.00 39.39 H +ATOM 8464 HG23 THR A 561 181.288 180.704 209.308 1.00 39.39 H +ATOM 8465 N ALA A 562 176.899 179.370 207.473 1.00 40.01 N +ATOM 8466 CA ALA A 562 175.702 178.554 207.290 1.00 35.70 C +ATOM 8467 C ALA A 562 175.487 178.157 205.833 1.00 31.25 C +ATOM 8468 O ALA A 562 175.778 178.921 204.914 1.00 31.17 O +ATOM 8469 CB ALA A 562 174.478 179.290 207.811 1.00 32.78 C +ATOM 8470 H ALA A 562 176.739 180.206 207.597 1.00 48.01 H +ATOM 8471 HA ALA A 562 175.799 177.739 207.807 1.00 42.84 H +ATOM 8472 HB1 ALA A 562 173.695 178.733 207.681 1.00 39.34 H +ATOM 8473 HB2 ALA A 562 174.599 179.475 208.756 1.00 39.34 H +ATOM 8474 HB3 ALA A 562 174.378 180.122 207.322 1.00 39.34 H +ATOM 8475 N SER A 563 174.968 176.949 205.641 1.00 30.97 N +ATOM 8476 CA SER A 563 174.596 176.456 204.321 1.00 28.66 C +ATOM 8477 C SER A 563 173.484 175.429 204.472 1.00 25.99 C +ATOM 8478 O SER A 563 173.270 174.903 205.564 1.00 26.45 O +ATOM 8479 CB SER A 563 175.799 175.840 203.611 1.00 27.70 C +ATOM 8480 OG SER A 563 176.276 174.706 204.313 1.00 30.55 O +ATOM 8481 H SER A 563 174.819 176.386 206.273 1.00 37.17 H +ATOM 8482 HA SER A 563 174.265 177.191 203.783 1.00 34.40 H +ATOM 8483 HB2 SER A 563 175.533 175.569 202.718 1.00 33.24 H +ATOM 8484 HB3 SER A 563 176.508 176.501 203.559 1.00 33.24 H +ATOM 8485 HG SER A 563 176.937 174.377 203.913 1.00 36.66 H +ATOM 8486 N ILE A 564 172.774 175.147 203.386 1.00 23.24 N +ATOM 8487 CA ILE A 564 171.735 174.127 203.412 1.00 34.02 C +ATOM 8488 C ILE A 564 172.336 172.786 203.830 1.00 32.70 C +ATOM 8489 O ILE A 564 171.690 171.998 204.515 1.00 34.79 O +ATOM 8490 CB ILE A 564 171.026 173.988 202.037 1.00 37.50 C +ATOM 8491 CG1 ILE A 564 169.856 173.000 202.117 1.00 39.62 C +ATOM 8492 CG2 ILE A 564 172.012 173.568 200.947 1.00 41.79 C +ATOM 8493 CD1 ILE A 564 168.679 173.501 202.925 1.00 42.15 C +ATOM 8494 H ILE A 564 172.875 175.530 202.623 1.00 27.89 H +ATOM 8495 HA ILE A 564 171.066 174.375 204.070 1.00 40.82 H +ATOM 8496 HB ILE A 564 170.667 174.857 201.796 1.00 45.01 H +ATOM 8497 HG12 ILE A 564 169.540 172.817 201.218 1.00 47.54 H +ATOM 8498 HG13 ILE A 564 170.169 172.179 202.528 1.00 47.54 H +ATOM 8499 HG21 ILE A 564 171.538 173.490 200.105 1.00 50.15 H +ATOM 8500 HG22 ILE A 564 172.708 174.240 200.876 1.00 50.15 H +ATOM 8501 HG23 ILE A 564 172.402 172.712 201.188 1.00 50.15 H +ATOM 8502 HD11 ILE A 564 167.986 172.823 202.928 1.00 50.57 H +ATOM 8503 HD12 ILE A 564 168.973 173.678 203.833 1.00 50.57 H +ATOM 8504 HD13 ILE A 564 168.344 174.317 202.521 1.00 50.57 H +ATOM 8505 N GLN A 565 173.582 172.543 203.435 1.00 38.37 N +ATOM 8506 CA GLN A 565 174.260 171.293 203.770 1.00 40.24 C +ATOM 8507 C GLN A 565 174.596 171.218 205.257 1.00 29.89 C +ATOM 8508 O GLN A 565 174.385 170.187 205.890 1.00 35.15 O +ATOM 8509 CB GLN A 565 175.535 171.130 202.934 1.00 37.75 C +ATOM 8510 CG GLN A 565 176.330 169.861 203.230 1.00 35.59 C +ATOM 8511 CD GLN A 565 175.541 168.587 202.963 1.00 53.15 C +ATOM 8512 OE1 GLN A 565 175.626 168.008 201.881 1.00 48.49 O +ATOM 8513 NE2 GLN A 565 174.773 168.142 203.954 1.00 42.69 N +ATOM 8514 H GLN A 565 174.059 173.086 202.969 1.00 46.05 H +ATOM 8515 HA GLN A 565 173.670 170.552 203.561 1.00 48.28 H +ATOM 8516 HB2 GLN A 565 175.290 171.111 201.995 1.00 45.29 H +ATOM 8517 HB3 GLN A 565 176.116 171.888 203.104 1.00 45.29 H +ATOM 8518 HG2 GLN A 565 177.121 169.846 202.669 1.00 42.71 H +ATOM 8519 HG3 GLN A 565 176.588 169.862 204.166 1.00 42.71 H +ATOM 8520 HE21 GLN A 565 174.740 168.571 204.699 1.00 51.23 H +ATOM 8521 HE22 GLN A 565 174.308 167.426 203.849 1.00 51.23 H +ATOM 8522 N SER A 566 175.119 172.305 205.814 1.00 33.61 N +ATOM 8523 CA SER A 566 175.492 172.326 207.227 1.00 31.97 C +ATOM 8524 C SER A 566 174.263 172.303 208.136 1.00 29.29 C +ATOM 8525 O SER A 566 174.321 171.777 209.246 1.00 31.48 O +ATOM 8526 CB SER A 566 176.348 173.552 207.543 1.00 29.63 C +ATOM 8527 OG SER A 566 175.569 174.734 207.545 1.00 39.62 O +ATOM 8528 H SER A 566 175.269 173.043 205.398 1.00 40.33 H +ATOM 8529 HA SER A 566 176.020 171.536 207.423 1.00 38.37 H +ATOM 8530 HB2 SER A 566 176.749 173.438 208.419 1.00 35.55 H +ATOM 8531 HB3 SER A 566 177.041 173.633 206.870 1.00 35.55 H +ATOM 8532 HG SER A 566 176.054 175.397 207.720 1.00 47.54 H +ATOM 8533 N LEU A 567 173.157 172.875 207.670 1.00 33.59 N +ATOM 8534 CA LEU A 567 171.903 172.816 208.414 1.00 34.17 C +ATOM 8535 C LEU A 567 171.467 171.366 208.561 1.00 32.02 C +ATOM 8536 O LEU A 567 171.140 170.913 209.656 1.00 34.26 O +ATOM 8537 CB LEU A 567 170.808 173.626 207.718 1.00 30.12 C +ATOM 8538 CG LEU A 567 169.459 173.679 208.447 1.00 30.51 C +ATOM 8539 CD1 LEU A 567 169.542 174.589 209.657 1.00 29.19 C +ATOM 8540 CD2 LEU A 567 168.337 174.122 207.516 1.00 30.65 C +ATOM 8541 H LEU A 567 173.107 173.303 206.926 1.00 40.31 H +ATOM 8542 HA LEU A 567 172.039 173.186 209.300 1.00 41.01 H +ATOM 8543 HB2 LEU A 567 171.119 174.539 207.616 1.00 36.14 H +ATOM 8544 HB3 LEU A 567 170.650 173.239 206.842 1.00 36.14 H +ATOM 8545 HG LEU A 567 169.243 172.788 208.763 1.00 36.61 H +ATOM 8546 HD11 LEU A 567 168.679 174.605 210.099 1.00 35.03 H +ATOM 8547 HD12 LEU A 567 170.218 174.247 210.263 1.00 35.03 H +ATOM 8548 HD13 LEU A 567 169.781 175.482 209.365 1.00 35.03 H +ATOM 8549 HD21 LEU A 567 167.504 174.143 208.013 1.00 36.78 H +ATOM 8550 HD22 LEU A 567 168.541 175.007 207.175 1.00 36.78 H +ATOM 8551 HD23 LEU A 567 168.269 173.492 206.782 1.00 36.78 H +ATOM 8552 N ILE A 568 171.467 170.645 207.446 1.00 37.43 N +ATOM 8553 CA ILE A 568 171.113 169.233 207.441 1.00 44.45 C +ATOM 8554 C ILE A 568 172.149 168.431 208.223 1.00 37.63 C +ATOM 8555 O ILE A 568 171.798 167.590 209.046 1.00 35.30 O +ATOM 8556 CB ILE A 568 170.983 168.699 205.991 1.00 34.79 C +ATOM 8557 CG1 ILE A 568 169.538 168.836 205.507 1.00 34.85 C +ATOM 8558 CG2 ILE A 568 171.399 167.228 205.881 1.00 48.34 C +ATOM 8559 CD1 ILE A 568 168.994 170.248 205.550 1.00 38.55 C +ATOM 8560 H ILE A 568 171.671 170.956 206.670 1.00 44.92 H +ATOM 8561 HA ILE A 568 170.255 169.121 207.879 1.00 53.34 H +ATOM 8562 HB ILE A 568 171.555 169.228 205.413 1.00 41.74 H +ATOM 8563 HG12 ILE A 568 169.488 168.529 204.588 1.00 41.83 H +ATOM 8564 HG13 ILE A 568 168.970 168.284 206.067 1.00 41.83 H +ATOM 8565 HG21 ILE A 568 171.301 166.940 204.960 1.00 58.01 H +ATOM 8566 HG22 ILE A 568 172.325 167.140 206.158 1.00 58.01 H +ATOM 8567 HG23 ILE A 568 170.829 166.695 206.457 1.00 58.01 H +ATOM 8568 HD11 ILE A 568 168.079 170.243 205.228 1.00 46.26 H +ATOM 8569 HD12 ILE A 568 169.022 170.568 206.465 1.00 46.26 H +ATOM 8570 HD13 ILE A 568 169.541 170.814 204.984 1.00 46.26 H +ATOM 8571 N CYS A 569 173.423 168.711 207.974 1.00 35.70 N +ATOM 8572 CA CYS A 569 174.508 167.965 208.604 1.00 41.80 C +ATOM 8573 C CYS A 569 174.487 168.075 210.127 1.00 36.30 C +ATOM 8574 O CYS A 569 174.811 167.118 210.826 1.00 40.65 O +ATOM 8575 CB CYS A 569 175.858 168.450 208.074 1.00 47.75 C +ATOM 8576 SG CYS A 569 177.265 167.452 208.613 1.00 61.01 S +ATOM 8577 H CYS A 569 173.688 169.331 207.440 1.00 42.84 H +ATOM 8578 HA CYS A 569 174.418 167.028 208.373 1.00 50.17 H +ATOM 8579 HB2 CYS A 569 175.837 168.431 207.104 1.00 57.30 H +ATOM 8580 HB3 CYS A 569 176.006 169.358 208.381 1.00 57.30 H +ATOM 8581 N ASN A 570 174.100 169.238 210.639 1.00 41.55 N +ATOM 8582 CA ASN A 570 174.105 169.475 212.080 1.00 40.49 C +ATOM 8583 C ASN A 570 172.899 168.891 212.811 1.00 38.90 C +ATOM 8584 O ASN A 570 172.991 168.572 213.994 1.00 38.37 O +ATOM 8585 CB ASN A 570 174.172 170.976 212.369 1.00 37.26 C +ATOM 8586 CG ASN A 570 175.572 171.542 212.225 1.00 37.31 C +ATOM 8587 OD1 ASN A 570 176.563 170.821 212.327 1.00 38.78 O +ATOM 8588 ND2 ASN A 570 175.658 172.848 211.998 1.00 44.09 N +ATOM 8589 H ASN A 570 173.831 169.908 210.173 1.00 49.86 H +ATOM 8590 HA ASN A 570 174.900 169.068 212.457 1.00 48.58 H +ATOM 8591 HB2 ASN A 570 173.594 171.443 211.745 1.00 44.72 H +ATOM 8592 HB3 ASN A 570 173.877 171.136 213.279 1.00 44.72 H +ATOM 8593 HD21 ASN A 570 176.428 173.220 211.909 1.00 52.91 H +ATOM 8594 HD22 ASN A 570 174.943 173.323 211.941 1.00 52.91 H +ATOM 8595 N ASN A 571 171.776 168.750 212.113 1.00 36.56 N +ATOM 8596 CA ASN A 571 170.510 168.411 212.761 1.00 40.20 C +ATOM 8597 C ASN A 571 169.851 167.132 212.250 1.00 44.45 C +ATOM 8598 O ASN A 571 168.791 166.743 212.741 1.00 41.48 O +ATOM 8599 CB ASN A 571 169.530 169.572 212.605 1.00 38.71 C +ATOM 8600 CG ASN A 571 170.048 170.853 213.226 1.00 36.08 C +ATOM 8601 OD1 ASN A 571 170.128 170.977 214.448 1.00 30.12 O +ATOM 8602 ND2 ASN A 571 170.404 171.815 212.386 1.00 30.97 N +ATOM 8603 H ASN A 571 171.719 168.846 211.260 1.00 43.87 H +ATOM 8604 HA ASN A 571 170.674 168.293 213.709 1.00 48.24 H +ATOM 8605 HB2 ASN A 571 169.379 169.735 211.661 1.00 46.45 H +ATOM 8606 HB3 ASN A 571 168.695 169.343 213.042 1.00 46.45 H +ATOM 8607 HD21 ASN A 571 170.705 172.562 212.689 1.00 37.16 H +ATOM 8608 HD22 ASN A 571 170.335 171.693 211.538 1.00 37.16 H +ATOM 8609 N VAL A 572 170.477 166.480 211.275 1.00 43.67 N +ATOM 8610 CA VAL A 572 169.950 165.237 210.717 1.00 45.91 C +ATOM 8611 C VAL A 572 170.921 164.088 210.974 1.00 47.67 C +ATOM 8612 O VAL A 572 172.116 164.195 210.704 1.00 47.56 O +ATOM 8613 CB VAL A 572 169.682 165.367 209.206 1.00 43.76 C +ATOM 8614 CG1 VAL A 572 169.123 164.068 208.642 1.00 41.73 C +ATOM 8615 CG2 VAL A 572 168.718 166.519 208.945 1.00 38.90 C +ATOM 8616 H VAL A 572 171.215 166.738 210.917 1.00 52.40 H +ATOM 8617 HA VAL A 572 169.111 165.025 211.153 1.00 55.09 H +ATOM 8618 HB VAL A 572 170.516 165.560 208.750 1.00 52.51 H +ATOM 8619 HG11 VAL A 572 168.964 164.179 207.692 1.00 50.07 H +ATOM 8620 HG12 VAL A 572 169.766 163.357 208.790 1.00 50.07 H +ATOM 8621 HG13 VAL A 572 168.290 163.861 209.095 1.00 50.07 H +ATOM 8622 HG21 VAL A 572 168.559 166.588 207.991 1.00 46.68 H +ATOM 8623 HG22 VAL A 572 167.884 166.343 209.408 1.00 46.68 H +ATOM 8624 HG23 VAL A 572 169.113 167.342 209.275 1.00 46.68 H +ATOM 8625 N LYS A 573 170.387 162.993 211.503 1.00 58.74 N +ATOM 8626 CA LYS A 573 171.184 161.825 211.855 1.00 46.18 C +ATOM 8627 C LYS A 573 171.875 161.240 210.630 1.00 47.95 C +ATOM 8628 O LYS A 573 171.251 161.059 209.585 1.00 37.25 O +ATOM 8629 CB LYS A 573 170.299 160.766 212.514 1.00 47.12 C +ATOM 8630 CG LYS A 573 171.060 159.650 213.201 1.00 57.18 C +ATOM 8631 CD LYS A 573 170.110 158.570 213.689 1.00 63.83 C +ATOM 8632 CE LYS A 573 170.824 157.534 214.536 1.00 70.03 C +ATOM 8633 NZ LYS A 573 169.926 156.401 214.883 1.00 74.81 N +ATOM 8634 H LYS A 573 169.548 162.901 211.671 1.00 70.49 H +ATOM 8635 HA LYS A 573 171.868 162.087 212.492 1.00 55.42 H +ATOM 8636 HB2 LYS A 573 169.743 161.198 213.182 1.00 56.54 H +ATOM 8637 HB3 LYS A 573 169.737 160.364 211.833 1.00 56.54 H +ATOM 8638 HG2 LYS A 573 171.682 159.250 212.573 1.00 68.62 H +ATOM 8639 HG3 LYS A 573 171.536 160.008 213.967 1.00 68.62 H +ATOM 8640 HD2 LYS A 573 169.415 158.977 214.229 1.00 76.59 H +ATOM 8641 HD3 LYS A 573 169.719 158.120 212.924 1.00 76.59 H +ATOM 8642 HE2 LYS A 573 171.580 157.182 214.041 1.00 84.04 H +ATOM 8643 HE3 LYS A 573 171.125 157.947 215.361 1.00 84.04 H +ATOM 8644 HZ1 LYS A 573 170.365 155.806 215.379 1.00 89.78 H +ATOM 8645 HZ2 LYS A 573 169.224 156.699 215.341 1.00 89.78 H +ATOM 8646 HZ3 LYS A 573 169.639 156.003 214.140 1.00 89.78 H +ATOM 8647 N GLY A 574 173.167 160.952 210.765 1.00 44.21 N +ATOM 8648 CA GLY A 574 173.945 160.378 209.682 1.00 50.25 C +ATOM 8649 C GLY A 574 174.587 161.426 208.791 1.00 58.77 C +ATOM 8650 O GLY A 574 175.459 161.105 207.982 1.00 53.77 O +ATOM 8651 H GLY A 574 173.618 161.083 211.486 1.00 53.05 H +ATOM 8652 HA2 GLY A 574 174.647 159.821 210.052 1.00 60.30 H +ATOM 8653 HA3 GLY A 574 173.370 159.822 209.134 1.00 60.30 H +ATOM 8654 N CYS A 575 174.155 162.676 208.940 1.00 59.50 N +ATOM 8655 CA CYS A 575 174.689 163.786 208.153 1.00 51.62 C +ATOM 8656 C CYS A 575 174.644 163.475 206.660 1.00 42.92 C +ATOM 8657 O CYS A 575 175.682 163.426 206.002 1.00 44.46 O +ATOM 8658 CB CYS A 575 176.124 164.103 208.585 1.00 48.11 C +ATOM 8659 SG CYS A 575 176.821 165.615 207.858 1.00 63.06 S +ATOM 8660 H CYS A 575 173.543 162.910 209.498 1.00 71.40 H +ATOM 8661 HA CYS A 575 174.146 164.575 208.312 1.00 61.94 H +ATOM 8662 HB2 CYS A 575 176.141 164.207 209.549 1.00 57.74 H +ATOM 8663 HB3 CYS A 575 176.695 163.363 208.327 1.00 57.74 H +ATOM 8664 N PRO A 576 173.437 163.262 206.120 1.00 41.12 N +ATOM 8665 CA PRO A 576 173.323 162.870 204.713 1.00 41.38 C +ATOM 8666 C PRO A 576 173.659 164.012 203.764 1.00 44.43 C +ATOM 8667 O PRO A 576 173.459 165.176 204.108 1.00 52.78 O +ATOM 8668 CB PRO A 576 171.854 162.466 204.585 1.00 38.23 C +ATOM 8669 CG PRO A 576 171.156 163.289 205.599 1.00 35.98 C +ATOM 8670 CD PRO A 576 172.118 163.448 206.748 1.00 41.67 C +ATOM 8671 HA PRO A 576 173.890 162.107 204.522 1.00 49.66 H +ATOM 8672 HB2 PRO A 576 171.533 162.671 203.693 1.00 45.87 H +ATOM 8673 HB3 PRO A 576 171.754 161.521 204.780 1.00 45.87 H +ATOM 8674 HG2 PRO A 576 170.936 164.154 205.218 1.00 43.18 H +ATOM 8675 HG3 PRO A 576 170.352 162.832 205.890 1.00 43.18 H +ATOM 8676 HD2 PRO A 576 172.047 164.338 207.127 1.00 50.00 H +ATOM 8677 HD3 PRO A 576 171.962 162.763 207.417 1.00 50.00 H +ATOM 8678 N PHE A 577 174.174 163.679 202.587 1.00 46.41 N +ATOM 8679 CA PHE A 577 174.408 164.678 201.557 1.00 40.92 C +ATOM 8680 C PHE A 577 173.081 165.289 201.141 1.00 39.47 C +ATOM 8681 O PHE A 577 172.094 164.577 200.968 1.00 38.31 O +ATOM 8682 CB PHE A 577 175.108 164.062 200.344 1.00 39.70 C +ATOM 8683 CG PHE A 577 175.086 164.939 199.121 1.00 36.62 C +ATOM 8684 CD1 PHE A 577 174.041 164.863 198.212 1.00 34.49 C +ATOM 8685 CD2 PHE A 577 176.109 165.840 198.880 1.00 34.89 C +ATOM 8686 CE1 PHE A 577 174.016 165.669 197.093 1.00 39.41 C +ATOM 8687 CE2 PHE A 577 176.091 166.648 197.760 1.00 38.77 C +ATOM 8688 CZ PHE A 577 175.043 166.562 196.865 1.00 36.74 C +ATOM 8689 H PHE A 577 174.397 162.880 202.360 1.00 55.70 H +ATOM 8690 HA PHE A 577 174.973 165.382 201.913 1.00 49.11 H +ATOM 8691 HB2 PHE A 577 176.036 163.892 200.570 1.00 47.63 H +ATOM 8692 HB3 PHE A 577 174.667 163.228 200.118 1.00 47.63 H +ATOM 8693 HD1 PHE A 577 173.345 164.263 198.362 1.00 41.38 H +ATOM 8694 HD2 PHE A 577 176.817 165.902 199.481 1.00 41.87 H +ATOM 8695 HE1 PHE A 577 173.310 165.608 196.491 1.00 47.29 H +ATOM 8696 HE2 PHE A 577 176.783 167.250 197.608 1.00 46.52 H +ATOM 8697 HZ PHE A 577 175.029 167.105 196.110 1.00 44.08 H +ATOM 8698 N THR A 578 173.053 166.609 200.991 1.00 41.41 N +ATOM 8699 CA THR A 578 171.887 167.269 200.426 1.00 37.37 C +ATOM 8700 C THR A 578 172.289 168.464 199.579 1.00 40.31 C +ATOM 8701 O THR A 578 173.392 168.996 199.701 1.00 40.30 O +ATOM 8702 CB THR A 578 170.894 167.727 201.519 1.00 38.60 C +ATOM 8703 OG1 THR A 578 169.596 167.898 200.938 1.00 40.66 O +ATOM 8704 CG2 THR A 578 171.339 169.035 202.185 1.00 39.84 C +ATOM 8705 H THR A 578 173.694 167.141 201.207 1.00 49.69 H +ATOM 8706 HA THR A 578 171.423 166.641 199.850 1.00 44.84 H +ATOM 8707 HB THR A 578 170.845 167.043 202.205 1.00 46.32 H +ATOM 8708 HG1 THR A 578 169.331 167.172 200.609 1.00 48.79 H +ATOM 8709 HG21 THR A 578 170.698 169.295 202.864 1.00 47.81 H +ATOM 8710 HG22 THR A 578 172.208 168.916 202.600 1.00 47.81 H +ATOM 8711 HG23 THR A 578 171.400 169.740 201.522 1.00 47.81 H +ATOM 8712 N SER A 579 171.365 168.871 198.721 1.00 33.58 N +ATOM 8713 CA SER A 579 171.576 169.957 197.786 1.00 33.41 C +ATOM 8714 C SER A 579 170.216 170.341 197.224 1.00 34.50 C +ATOM 8715 O SER A 579 169.234 169.634 197.450 1.00 36.64 O +ATOM 8716 CB SER A 579 172.543 169.538 196.676 1.00 35.01 C +ATOM 8717 OG SER A 579 172.271 170.221 195.466 1.00 42.77 O +ATOM 8718 H SER A 579 170.582 168.519 198.663 1.00 40.30 H +ATOM 8719 HA SER A 579 171.949 170.723 198.251 1.00 40.10 H +ATOM 8720 HB2 SER A 579 173.449 169.743 196.956 1.00 42.01 H +ATOM 8721 HB3 SER A 579 172.452 168.584 196.525 1.00 42.01 H +ATOM 8722 HG SER A 579 172.812 169.977 194.871 1.00 51.33 H +ATOM 8723 N PHE A 580 170.147 171.456 196.506 1.00 35.23 N +ATOM 8724 CA PHE A 580 168.887 171.894 195.916 1.00 35.01 C +ATOM 8725 C PHE A 580 168.735 171.383 194.491 1.00 33.37 C +ATOM 8726 O PHE A 580 167.727 171.650 193.841 1.00 34.99 O +ATOM 8727 CB PHE A 580 168.780 173.421 195.945 1.00 37.64 C +ATOM 8728 CG PHE A 580 168.474 173.985 197.305 1.00 36.32 C +ATOM 8729 CD1 PHE A 580 167.481 173.430 198.095 1.00 37.22 C +ATOM 8730 CD2 PHE A 580 169.181 175.067 197.793 1.00 33.80 C +ATOM 8731 CE1 PHE A 580 167.200 173.948 199.342 1.00 44.81 C +ATOM 8732 CE2 PHE A 580 168.903 175.587 199.040 1.00 46.75 C +ATOM 8733 CZ PHE A 580 167.913 175.027 199.816 1.00 40.43 C +ATOM 8734 H PHE A 580 170.813 171.975 196.346 1.00 42.27 H +ATOM 8735 HA PHE A 580 168.154 171.535 196.441 1.00 42.01 H +ATOM 8736 HB2 PHE A 580 169.623 173.798 195.651 1.00 45.17 H +ATOM 8737 HB3 PHE A 580 168.069 173.695 195.345 1.00 45.17 H +ATOM 8738 HD1 PHE A 580 166.997 172.702 197.780 1.00 44.66 H +ATOM 8739 HD2 PHE A 580 169.851 175.450 197.274 1.00 40.56 H +ATOM 8740 HE1 PHE A 580 166.531 173.567 199.863 1.00 53.78 H +ATOM 8741 HE2 PHE A 580 169.386 176.316 199.357 1.00 56.11 H +ATOM 8742 HZ PHE A 580 167.725 175.377 200.656 1.00 48.52 H +ATOM 8743 N SER A 581 169.735 170.650 194.012 1.00 41.39 N +ATOM 8744 CA SER A 581 169.645 169.989 192.715 1.00 39.44 C +ATOM 8745 C SER A 581 169.843 168.489 192.878 1.00 38.16 C +ATOM 8746 O SER A 581 170.466 168.042 193.842 1.00 36.20 O +ATOM 8747 CB SER A 581 170.681 170.555 191.742 1.00 37.58 C +ATOM 8748 OG SER A 581 171.996 170.228 192.147 1.00 48.30 O +ATOM 8749 H SER A 581 170.480 170.520 194.421 1.00 49.67 H +ATOM 8750 HA SER A 581 168.763 170.139 192.340 1.00 47.33 H +ATOM 8751 HB2 SER A 581 170.522 170.182 190.860 1.00 45.10 H +ATOM 8752 HB3 SER A 581 170.591 171.520 191.713 1.00 45.10 H +ATOM 8753 HG SER A 581 172.552 170.546 191.603 1.00 57.96 H +ATOM 8754 N VAL A 582 169.311 167.712 191.942 1.00 41.52 N +ATOM 8755 CA VAL A 582 169.488 166.266 191.985 1.00 48.45 C +ATOM 8756 C VAL A 582 170.925 165.910 191.594 1.00 44.31 C +ATOM 8757 O VAL A 582 171.515 166.578 190.745 1.00 43.01 O +ATOM 8758 CB VAL A 582 168.499 165.535 191.054 1.00 46.39 C +ATOM 8759 CG1 VAL A 582 167.065 165.848 191.452 1.00 47.85 C +ATOM 8760 CG2 VAL A 582 168.740 165.906 189.593 1.00 55.37 C +ATOM 8761 H VAL A 582 168.846 167.995 191.276 1.00 49.82 H +ATOM 8762 HA VAL A 582 169.335 165.954 192.891 1.00 58.14 H +ATOM 8763 HB VAL A 582 168.631 164.579 191.144 1.00 55.67 H +ATOM 8764 HG11 VAL A 582 166.462 165.379 190.854 1.00 57.42 H +ATOM 8765 HG12 VAL A 582 166.921 165.554 192.365 1.00 57.42 H +ATOM 8766 HG13 VAL A 582 166.921 166.804 191.385 1.00 57.42 H +ATOM 8767 HG21 VAL A 582 168.102 165.430 189.038 1.00 66.44 H +ATOM 8768 HG22 VAL A 582 168.622 166.863 189.487 1.00 66.44 H +ATOM 8769 HG23 VAL A 582 169.644 165.655 189.349 1.00 66.44 H +ATOM 8770 N PRO A 583 171.497 164.860 192.214 1.00 51.67 N +ATOM 8771 CA PRO A 583 172.859 164.401 191.906 1.00 55.99 C +ATOM 8772 C PRO A 583 173.141 164.249 190.412 1.00 52.57 C +ATOM 8773 O PRO A 583 172.248 163.840 189.673 1.00 54.20 O +ATOM 8774 CB PRO A 583 172.925 163.042 192.600 1.00 60.18 C +ATOM 8775 CG PRO A 583 172.014 163.184 193.761 1.00 58.17 C +ATOM 8776 CD PRO A 583 170.898 164.080 193.313 1.00 55.24 C +ATOM 8777 HA PRO A 583 173.515 164.997 192.300 1.00 67.19 H +ATOM 8778 HB2 PRO A 583 172.612 162.348 191.998 1.00 72.21 H +ATOM 8779 HB3 PRO A 583 173.832 162.864 192.892 1.00 72.21 H +ATOM 8780 HG2 PRO A 583 171.670 162.312 194.011 1.00 69.81 H +ATOM 8781 HG3 PRO A 583 172.495 163.585 194.502 1.00 69.81 H +ATOM 8782 HD2 PRO A 583 170.153 163.553 192.985 1.00 66.28 H +ATOM 8783 HD3 PRO A 583 170.627 164.669 194.035 1.00 66.28 H +TER 8784 PRO A 583 +ATOM 8784 N ASN B 34 176.784 191.459 237.580 1.00 50.01 N +ATOM 8785 CA ASN B 34 176.805 191.763 236.154 1.00 56.70 C +ATOM 8786 C ASN B 34 177.890 192.796 235.842 1.00 49.58 C +ATOM 8787 O ASN B 34 177.773 193.953 236.237 1.00 48.91 O +ATOM 8788 CB ASN B 34 175.436 192.273 235.705 1.00 61.64 C +ATOM 8789 CG ASN B 34 175.307 192.366 234.190 1.00 55.61 C +ATOM 8790 OD1 ASN B 34 176.295 192.504 233.470 1.00 52.29 O +ATOM 8791 ND2 ASN B 34 174.075 192.293 233.703 1.00 57.49 N +ATOM 8792 HA ASN B 34 177.005 190.954 235.658 1.00 68.03 H +ATOM 8793 HB2 ASN B 34 174.752 191.665 236.027 1.00 73.96 H +ATOM 8794 HB3 ASN B 34 175.293 193.158 236.073 1.00 73.96 H +ATOM 8795 HD21 ASN B 34 173.945 192.341 232.854 1.00 68.99 H +ATOM 8796 HD22 ASN B 34 173.407 192.198 234.236 1.00 68.99 H +ATOM 8797 N PRO B 35 178.948 192.389 235.118 1.00 51.07 N +ATOM 8798 CA PRO B 35 180.104 193.278 234.948 1.00 50.92 C +ATOM 8799 C PRO B 35 179.822 194.485 234.056 1.00 52.30 C +ATOM 8800 O PRO B 35 180.607 195.432 234.046 1.00 50.35 O +ATOM 8801 CB PRO B 35 181.151 192.362 234.309 1.00 47.32 C +ATOM 8802 CG PRO B 35 180.362 191.342 233.583 1.00 55.94 C +ATOM 8803 CD PRO B 35 179.099 191.135 234.358 1.00 50.79 C +ATOM 8804 HA PRO B 35 180.427 193.582 235.810 1.00 61.10 H +ATOM 8805 HB2 PRO B 35 181.703 192.872 233.696 1.00 56.79 H +ATOM 8806 HB3 PRO B 35 181.693 191.951 235.001 1.00 56.79 H +ATOM 8807 HG2 PRO B 35 180.161 191.666 232.691 1.00 67.12 H +ATOM 8808 HG3 PRO B 35 180.869 190.516 233.537 1.00 67.12 H +ATOM 8809 HD2 PRO B 35 178.349 191.013 233.756 1.00 60.95 H +ATOM 8810 HD3 PRO B 35 179.194 190.383 234.964 1.00 60.95 H +ATOM 8811 N CYS B 36 178.717 194.450 233.321 1.00 53.58 N +ATOM 8812 CA CYS B 36 178.345 195.561 232.454 1.00 54.32 C +ATOM 8813 C CYS B 36 177.615 196.664 233.219 1.00 46.68 C +ATOM 8814 O CYS B 36 177.309 197.715 232.658 1.00 36.57 O +ATOM 8815 CB CYS B 36 177.478 195.062 231.300 1.00 44.97 C +ATOM 8816 SG CYS B 36 178.408 194.194 230.015 1.00 41.54 S +ATOM 8817 H CYS B 36 178.163 193.792 233.307 1.00 64.29 H +ATOM 8818 HA CYS B 36 179.151 195.946 232.076 1.00 65.18 H +ATOM 8819 HB2 CYS B 36 176.813 194.449 231.651 1.00 53.96 H +ATOM 8820 HB3 CYS B 36 177.040 195.822 230.887 1.00 53.96 H +ATOM 8821 N CYS B 37 177.350 196.427 234.501 1.00 52.62 N +ATOM 8822 CA CYS B 37 176.639 197.394 235.336 1.00 46.62 C +ATOM 8823 C CYS B 37 177.354 198.741 235.416 1.00 40.53 C +ATOM 8824 O CYS B 37 176.718 199.770 235.637 1.00 41.84 O +ATOM 8825 CB CYS B 37 176.445 196.839 236.750 1.00 37.99 C +ATOM 8826 SG CYS B 37 174.953 195.840 236.963 1.00 52.64 S +ATOM 8827 H CYS B 37 177.574 195.707 234.915 1.00 63.14 H +ATOM 8828 HA CYS B 37 175.761 197.548 234.955 1.00 55.95 H +ATOM 8829 HB2 CYS B 37 177.207 196.281 236.971 1.00 45.59 H +ATOM 8830 HB3 CYS B 37 176.393 197.582 237.371 1.00 45.59 H +ATOM 8831 N SER B 38 178.671 198.733 235.238 1.00 34.17 N +ATOM 8832 CA SER B 38 179.462 199.956 235.343 1.00 36.46 C +ATOM 8833 C SER B 38 179.513 200.722 234.021 1.00 41.22 C +ATOM 8834 O SER B 38 180.063 201.820 233.956 1.00 35.23 O +ATOM 8835 CB SER B 38 180.884 199.630 235.804 1.00 37.58 C +ATOM 8836 OG SER B 38 181.587 198.897 234.818 1.00 43.50 O +ATOM 8837 H SER B 38 179.133 198.031 235.054 1.00 41.00 H +ATOM 8838 HA SER B 38 179.058 200.535 236.008 1.00 43.75 H +ATOM 8839 HB2 SER B 38 181.356 200.459 235.977 1.00 45.10 H +ATOM 8840 HB3 SER B 38 180.838 199.101 236.616 1.00 45.10 H +ATOM 8841 HG SER B 38 182.364 198.727 235.086 1.00 52.20 H +ATOM 8842 N HIS B 39 178.931 200.142 232.976 1.00 39.07 N +ATOM 8843 CA HIS B 39 178.944 200.746 231.647 1.00 40.32 C +ATOM 8844 C HIS B 39 180.377 200.997 231.180 1.00 40.59 C +ATOM 8845 O HIS B 39 180.744 202.131 230.882 1.00 38.10 O +ATOM 8846 CB HIS B 39 178.144 202.050 231.648 1.00 39.96 C +ATOM 8847 CG HIS B 39 176.823 201.943 232.344 1.00 34.52 C +ATOM 8848 ND1 HIS B 39 175.809 201.126 231.894 1.00 39.96 N +ATOM 8849 CD2 HIS B 39 176.355 202.543 233.463 1.00 31.23 C +ATOM 8850 CE1 HIS B 39 174.771 201.228 232.705 1.00 31.71 C +ATOM 8851 NE2 HIS B 39 175.077 202.083 233.665 1.00 36.59 N +ATOM 8852 H HIS B 39 178.518 199.389 233.011 1.00 46.88 H +ATOM 8853 HA HIS B 39 178.525 200.136 231.019 1.00 48.39 H +ATOM 8854 HB2 HIS B 39 178.662 202.735 232.098 1.00 47.96 H +ATOM 8855 HB3 HIS B 39 177.975 202.314 230.730 1.00 47.96 H +ATOM 8856 HD2 HIS B 39 176.812 203.153 233.995 1.00 37.48 H +ATOM 8857 HE1 HIS B 39 173.963 200.778 232.614 1.00 38.05 H +ATOM 8858 HE2 HIS B 39 174.559 202.314 234.311 1.00 43.91 H +ATOM 8859 N PRO B 40 181.188 199.930 231.101 1.00 41.38 N +ATOM 8860 CA PRO B 40 182.614 200.079 230.794 1.00 43.26 C +ATOM 8861 C PRO B 40 182.877 200.596 229.381 1.00 46.75 C +ATOM 8862 O PRO B 40 183.813 201.365 229.166 1.00 44.90 O +ATOM 8863 CB PRO B 40 183.163 198.651 230.946 1.00 46.95 C +ATOM 8864 CG PRO B 40 182.045 197.827 231.502 1.00 44.63 C +ATOM 8865 CD PRO B 40 180.787 198.515 231.146 1.00 37.71 C +ATOM 8866 HA PRO B 40 183.043 200.662 231.439 1.00 51.91 H +ATOM 8867 HB2 PRO B 40 183.434 198.315 230.077 1.00 56.34 H +ATOM 8868 HB3 PRO B 40 183.916 198.658 231.557 1.00 56.34 H +ATOM 8869 HG2 PRO B 40 182.070 196.942 231.105 1.00 53.56 H +ATOM 8870 HG3 PRO B 40 182.138 197.768 232.465 1.00 53.56 H +ATOM 8871 HD2 PRO B 40 180.475 198.223 230.275 1.00 45.25 H +ATOM 8872 HD3 PRO B 40 180.117 198.373 231.833 1.00 45.25 H +ATOM 8873 N CYS B 41 182.051 200.172 228.433 1.00 40.13 N +ATOM 8874 CA CYS B 41 182.288 200.459 227.025 1.00 40.12 C +ATOM 8875 C CYS B 41 181.984 201.911 226.671 1.00 35.89 C +ATOM 8876 O CYS B 41 180.876 202.393 226.892 1.00 35.12 O +ATOM 8877 CB CYS B 41 181.449 199.524 226.154 1.00 36.73 C +ATOM 8878 SG CYS B 41 181.697 197.772 226.520 1.00 45.74 S +ATOM 8879 H CYS B 41 181.339 199.712 228.580 1.00 48.15 H +ATOM 8880 HA CYS B 41 183.223 200.294 226.824 1.00 48.14 H +ATOM 8881 HB2 CYS B 41 180.511 199.726 226.293 1.00 44.07 H +ATOM 8882 HB3 CYS B 41 181.683 199.669 225.224 1.00 44.07 H +ATOM 8883 N GLN B 42 182.982 202.592 226.115 1.00 36.56 N +ATOM 8884 CA GLN B 42 182.853 203.987 225.709 1.00 36.36 C +ATOM 8885 C GLN B 42 182.503 204.110 224.231 1.00 35.99 C +ATOM 8886 O GLN B 42 182.606 203.145 223.476 1.00 38.84 O +ATOM 8887 CB GLN B 42 184.155 204.748 225.985 1.00 38.18 C +ATOM 8888 CG GLN B 42 184.644 204.657 227.415 1.00 43.79 C +ATOM 8889 CD GLN B 42 183.608 205.126 228.415 1.00 56.25 C +ATOM 8890 OE1 GLN B 42 183.145 206.265 228.360 1.00 58.32 O +ATOM 8891 NE2 GLN B 42 183.234 204.244 229.334 1.00 57.31 N +ATOM 8892 H GLN B 42 183.760 202.260 225.959 1.00 43.88 H +ATOM 8893 HA GLN B 42 182.144 204.404 226.223 1.00 43.63 H +ATOM 8894 HB2 GLN B 42 184.851 204.390 225.412 1.00 45.81 H +ATOM 8895 HB3 GLN B 42 184.015 205.686 225.781 1.00 45.81 H +ATOM 8896 HG2 GLN B 42 184.861 203.734 227.617 1.00 52.54 H +ATOM 8897 HG3 GLN B 42 185.432 205.214 227.516 1.00 52.54 H +ATOM 8898 HE21 GLN B 42 183.578 203.456 229.338 1.00 68.77 H +ATOM 8899 HE22 GLN B 42 182.648 204.461 229.924 1.00 68.77 H +ATOM 8900 N ASN B 43 182.086 205.308 223.835 1.00 41.02 N +ATOM 8901 CA ASN B 43 181.924 205.660 222.427 1.00 41.37 C +ATOM 8902 C ASN B 43 181.044 204.694 221.643 1.00 35.54 C +ATOM 8903 O ASN B 43 181.380 204.317 220.525 1.00 31.14 O +ATOM 8904 CB ASN B 43 183.299 205.746 221.764 1.00 39.82 C +ATOM 8905 CG ASN B 43 184.237 206.682 222.495 1.00 40.77 C +ATOM 8906 OD1 ASN B 43 183.868 207.801 222.847 1.00 43.90 O +ATOM 8907 ND2 ASN B 43 185.456 206.221 222.742 1.00 45.63 N +ATOM 8908 H ASN B 43 181.886 205.948 224.374 1.00 49.23 H +ATOM 8909 HA ASN B 43 181.515 206.538 222.373 1.00 49.65 H +ATOM 8910 HB2 ASN B 43 183.701 204.864 221.753 1.00 47.79 H +ATOM 8911 HB3 ASN B 43 183.193 206.075 220.857 1.00 47.79 H +ATOM 8912 HD21 ASN B 43 186.026 206.715 223.155 1.00 54.76 H +ATOM 8913 HD22 ASN B 43 185.676 205.430 222.489 1.00 54.76 H +ATOM 8914 N ARG B 44 179.926 204.297 222.248 1.00 38.06 N +ATOM 8915 CA ARG B 44 178.908 203.451 221.613 1.00 45.19 C +ATOM 8916 C ARG B 44 179.297 201.979 221.554 1.00 39.43 C +ATOM 8917 O ARG B 44 178.596 201.181 220.937 1.00 46.66 O +ATOM 8918 CB ARG B 44 178.585 203.938 220.192 1.00 40.90 C +ATOM 8919 CG ARG B 44 178.219 205.410 220.095 1.00 35.88 C +ATOM 8920 CD ARG B 44 176.986 205.731 220.910 1.00 35.81 C +ATOM 8921 NE ARG B 44 175.895 204.803 220.631 1.00 47.83 N +ATOM 8922 CZ ARG B 44 175.105 204.870 219.565 1.00 46.73 C +ATOM 8923 NH1 ARG B 44 175.277 205.822 218.657 1.00 35.58 N +ATOM 8924 NH2 ARG B 44 174.140 203.975 219.403 1.00 43.90 N +ATOM 8925 H ARG B 44 179.726 204.512 223.057 1.00 45.67 H +ATOM 8926 HA ARG B 44 178.092 203.514 222.133 1.00 54.23 H +ATOM 8927 HB2 ARG B 44 179.362 203.791 219.630 1.00 49.09 H +ATOM 8928 HB3 ARG B 44 177.835 203.426 219.852 1.00 49.09 H +ATOM 8929 HG2 ARG B 44 178.954 205.946 220.433 1.00 43.06 H +ATOM 8930 HG3 ARG B 44 178.038 205.635 219.169 1.00 43.06 H +ATOM 8931 HD2 ARG B 44 177.202 205.669 221.854 1.00 42.97 H +ATOM 8932 HD3 ARG B 44 176.684 206.627 220.694 1.00 42.97 H +ATOM 8933 HE ARG B 44 175.754 204.169 221.195 1.00 57.39 H +ATOM 8934 HH11 ARG B 44 175.902 206.404 218.758 1.00 42.70 H +ATOM 8935 HH12 ARG B 44 174.762 205.859 217.970 1.00 42.70 H +ATOM 8936 HH21 ARG B 44 174.026 203.355 219.989 1.00 52.68 H +ATOM 8937 HH22 ARG B 44 173.627 204.015 218.714 1.00 52.68 H +ATOM 8938 N GLY B 45 180.403 201.614 222.193 1.00 46.04 N +ATOM 8939 CA GLY B 45 180.791 200.218 222.257 1.00 40.94 C +ATOM 8940 C GLY B 45 179.717 199.410 222.958 1.00 40.57 C +ATOM 8941 O GLY B 45 179.135 199.873 223.938 1.00 45.54 O +ATOM 8942 H GLY B 45 180.940 202.154 222.594 1.00 55.24 H +ATOM 8943 HA2 GLY B 45 180.915 199.868 221.361 1.00 49.13 H +ATOM 8944 HA3 GLY B 45 181.623 200.129 222.748 1.00 49.13 H +ATOM 8945 N VAL B 46 179.444 198.209 222.458 1.00 39.39 N +ATOM 8946 CA VAL B 46 178.394 197.366 223.025 1.00 42.86 C +ATOM 8947 C VAL B 46 178.985 196.415 224.055 1.00 37.57 C +ATOM 8948 O VAL B 46 179.891 195.644 223.749 1.00 36.04 O +ATOM 8949 CB VAL B 46 177.662 196.553 221.941 1.00 37.25 C +ATOM 8950 CG1 VAL B 46 176.516 195.761 222.554 1.00 35.34 C +ATOM 8951 CG2 VAL B 46 177.142 197.472 220.846 1.00 30.58 C +ATOM 8952 H VAL B 46 179.853 197.858 221.788 1.00 47.26 H +ATOM 8953 HA VAL B 46 177.742 197.928 223.472 1.00 51.44 H +ATOM 8954 HB VAL B 46 178.283 195.925 221.540 1.00 44.70 H +ATOM 8955 HG11 VAL B 46 176.071 195.258 221.855 1.00 42.41 H +ATOM 8956 HG12 VAL B 46 176.874 195.155 223.222 1.00 42.41 H +ATOM 8957 HG13 VAL B 46 175.892 196.378 222.968 1.00 42.41 H +ATOM 8958 HG21 VAL B 46 176.686 196.939 220.176 1.00 36.70 H +ATOM 8959 HG22 VAL B 46 176.526 198.111 221.237 1.00 36.70 H +ATOM 8960 HG23 VAL B 46 177.892 197.938 220.444 1.00 36.70 H +ATOM 8961 N CYS B 47 178.464 196.476 225.276 1.00 45.07 N +ATOM 8962 CA CYS B 47 178.950 195.630 226.359 1.00 48.98 C +ATOM 8963 C CYS B 47 178.242 194.285 226.346 1.00 41.85 C +ATOM 8964 O CYS B 47 177.038 194.202 226.113 1.00 42.11 O +ATOM 8965 CB CYS B 47 178.755 196.307 227.715 1.00 48.53 C +ATOM 8966 SG CYS B 47 179.652 195.506 229.079 1.00 42.49 S +ATOM 8967 H CYS B 47 177.823 197.003 225.505 1.00 54.08 H +ATOM 8968 HA CYS B 47 179.899 195.472 226.235 1.00 58.78 H +ATOM 8969 HB2 CYS B 47 179.067 197.223 227.654 1.00 58.23 H +ATOM 8970 HB3 CYS B 47 177.810 196.296 227.936 1.00 58.23 H +ATOM 8971 N MET B 48 179.012 193.236 226.597 1.00 52.84 N +ATOM 8972 CA MET B 48 178.505 191.877 226.597 1.00 47.43 C +ATOM 8973 C MET B 48 179.192 191.116 227.715 1.00 45.72 C +ATOM 8974 O MET B 48 180.412 191.179 227.852 1.00 43.00 O +ATOM 8975 CB MET B 48 178.766 191.208 225.246 1.00 44.92 C +ATOM 8976 CG MET B 48 178.194 189.808 225.111 1.00 42.75 C +ATOM 8977 SD MET B 48 178.647 189.024 223.554 1.00 43.84 S +ATOM 8978 CE MET B 48 180.423 188.880 223.737 1.00 56.22 C +ATOM 8979 H MET B 48 179.852 193.290 226.775 1.00 63.41 H +ATOM 8980 HA MET B 48 177.548 191.889 226.754 1.00 56.91 H +ATOM 8981 HB2 MET B 48 178.372 191.755 224.548 1.00 53.91 H +ATOM 8982 HB3 MET B 48 179.724 191.147 225.110 1.00 53.91 H +ATOM 8983 HG2 MET B 48 178.531 189.257 225.835 1.00 51.30 H +ATOM 8984 HG3 MET B 48 177.226 189.857 225.153 1.00 51.30 H +ATOM 8985 HE1 MET B 48 180.790 188.462 222.942 1.00 67.47 H +ATOM 8986 HE2 MET B 48 180.802 189.766 223.849 1.00 67.47 H +ATOM 8987 HE3 MET B 48 180.617 188.336 224.516 1.00 67.47 H +ATOM 8988 N SER B 49 178.413 190.412 228.525 1.00 42.16 N +ATOM 8989 CA SER B 49 178.989 189.605 229.587 1.00 41.50 C +ATOM 8990 C SER B 49 179.630 188.367 228.976 1.00 47.00 C +ATOM 8991 O SER B 49 179.113 187.803 228.013 1.00 41.66 O +ATOM 8992 CB SER B 49 177.931 189.210 230.619 1.00 34.44 C +ATOM 8993 OG SER B 49 176.969 188.334 230.058 1.00 37.88 O +ATOM 8994 H SER B 49 177.554 190.384 228.481 1.00 50.59 H +ATOM 8995 HA SER B 49 179.680 190.115 230.039 1.00 49.80 H +ATOM 8996 HB2 SER B 49 178.366 188.765 231.362 1.00 41.33 H +ATOM 8997 HB3 SER B 49 177.481 190.012 230.930 1.00 41.33 H +ATOM 8998 HG SER B 49 177.344 187.634 229.783 1.00 45.45 H +ATOM 8999 N VAL B 50 180.770 187.968 229.528 1.00 43.51 N +ATOM 9000 CA VAL B 50 181.452 186.750 229.112 1.00 45.85 C +ATOM 9001 C VAL B 50 181.789 185.961 230.366 1.00 49.43 C +ATOM 9002 O VAL B 50 182.738 186.282 231.075 1.00 52.81 O +ATOM 9003 CB VAL B 50 182.727 187.048 228.304 1.00 44.18 C +ATOM 9004 CG1 VAL B 50 183.397 185.754 227.871 1.00 47.09 C +ATOM 9005 CG2 VAL B 50 182.396 187.903 227.091 1.00 47.75 C +ATOM 9006 H VAL B 50 181.175 188.393 230.156 1.00 52.21 H +ATOM 9007 HA VAL B 50 180.857 186.216 228.563 1.00 55.02 H +ATOM 9008 HB VAL B 50 183.350 187.540 228.862 1.00 53.02 H +ATOM 9009 HG11 VAL B 50 184.196 185.967 227.365 1.00 56.51 H +ATOM 9010 HG12 VAL B 50 183.631 185.240 228.660 1.00 56.51 H +ATOM 9011 HG13 VAL B 50 182.780 185.249 227.318 1.00 56.51 H +ATOM 9012 HG21 VAL B 50 183.212 188.078 226.597 1.00 57.30 H +ATOM 9013 HG22 VAL B 50 181.766 187.424 226.531 1.00 57.30 H +ATOM 9014 HG23 VAL B 50 182.005 188.738 227.392 1.00 57.30 H +ATOM 9015 N GLY B 51 181.000 184.932 230.640 1.00 43.94 N +ATOM 9016 CA GLY B 51 181.080 184.252 231.915 1.00 46.93 C +ATOM 9017 C GLY B 51 180.486 185.148 232.982 1.00 51.67 C +ATOM 9018 O GLY B 51 179.802 186.123 232.670 1.00 57.74 O +ATOM 9019 H GLY B 51 180.411 184.610 230.103 1.00 52.73 H +ATOM 9020 HA2 GLY B 51 180.582 183.420 231.883 1.00 56.32 H +ATOM 9021 HA3 GLY B 51 182.005 184.063 232.136 1.00 56.32 H +ATOM 9022 N PHE B 52 180.760 184.834 234.241 1.00 60.65 N +ATOM 9023 CA PHE B 52 180.137 185.543 235.353 1.00 57.80 C +ATOM 9024 C PHE B 52 180.911 186.781 235.802 1.00 65.39 C +ATOM 9025 O PHE B 52 180.328 187.698 236.377 1.00 63.24 O +ATOM 9026 CB PHE B 52 179.966 184.595 236.539 1.00 56.29 C +ATOM 9027 CG PHE B 52 178.979 183.491 236.292 1.00 55.75 C +ATOM 9028 CD1 PHE B 52 177.635 183.670 236.574 1.00 55.77 C +ATOM 9029 CD2 PHE B 52 179.393 182.277 235.772 1.00 56.77 C +ATOM 9030 CE1 PHE B 52 176.725 182.658 236.347 1.00 54.59 C +ATOM 9031 CE2 PHE B 52 178.485 181.262 235.543 1.00 56.80 C +ATOM 9032 CZ PHE B 52 177.150 181.454 235.831 1.00 53.29 C +ATOM 9033 H PHE B 52 181.305 184.213 234.481 1.00 72.78 H +ATOM 9034 HA PHE B 52 179.253 185.833 235.078 1.00 69.36 H +ATOM 9035 HB2 PHE B 52 180.823 184.187 236.740 1.00 67.55 H +ATOM 9036 HB3 PHE B 52 179.657 185.104 237.304 1.00 67.55 H +ATOM 9037 HD1 PHE B 52 177.343 184.481 236.923 1.00 66.92 H +ATOM 9038 HD2 PHE B 52 180.292 182.143 235.577 1.00 68.12 H +ATOM 9039 HE1 PHE B 52 175.825 182.789 236.541 1.00 65.51 H +ATOM 9040 HE2 PHE B 52 178.774 180.450 235.195 1.00 68.16 H +ATOM 9041 HZ PHE B 52 176.538 180.771 235.676 1.00 63.95 H +ATOM 9042 N ASP B 53 182.213 186.813 235.530 1.00 71.28 N +ATOM 9043 CA ASP B 53 183.086 187.845 236.092 1.00 74.81 C +ATOM 9044 C ASP B 53 183.768 188.733 235.049 1.00 63.64 C +ATOM 9045 O ASP B 53 184.533 189.628 235.406 1.00 72.36 O +ATOM 9046 CB ASP B 53 184.155 187.187 236.966 1.00 86.39 C +ATOM 9047 CG ASP B 53 185.068 186.264 236.180 1.00 89.11 C +ATOM 9048 OD1 ASP B 53 184.728 185.929 235.024 1.00 87.03 O +ATOM 9049 OD2 ASP B 53 186.123 185.870 236.720 1.00 93.70 O +ATOM 9050 H ASP B 53 182.618 186.248 235.023 1.00 85.53 H +ATOM 9051 HA ASP B 53 182.554 188.421 236.662 1.00 89.78 H +ATOM 9052 HB2 ASP B 53 184.703 187.878 237.370 1.00103.67 H +ATOM 9053 HB3 ASP B 53 183.720 186.662 237.656 1.00103.67 H +ATOM 9054 N GLN B 54 183.495 188.494 233.770 1.00 64.64 N +ATOM 9055 CA GLN B 54 184.129 189.260 232.700 1.00 69.79 C +ATOM 9056 C GLN B 54 183.126 189.849 231.719 1.00 52.38 C +ATOM 9057 O GLN B 54 181.978 189.416 231.646 1.00 44.88 O +ATOM 9058 CB GLN B 54 185.122 188.389 231.931 1.00 60.97 C +ATOM 9059 CG GLN B 54 186.378 188.050 232.698 1.00 55.98 C +ATOM 9060 CD GLN B 54 187.514 187.665 231.778 1.00 64.01 C +ATOM 9061 OE1 GLN B 54 187.905 186.500 231.705 1.00 69.47 O +ATOM 9062 NE2 GLN B 54 188.049 188.647 231.061 1.00 65.98 N +ATOM 9063 H GLN B 54 182.945 187.892 233.494 1.00 77.56 H +ATOM 9064 HA GLN B 54 184.624 189.995 233.094 1.00 83.75 H +ATOM 9065 HB2 GLN B 54 184.687 187.554 231.696 1.00 73.16 H +ATOM 9066 HB3 GLN B 54 185.388 188.857 231.124 1.00 73.16 H +ATOM 9067 HG2 GLN B 54 186.655 188.823 233.214 1.00 67.18 H +ATOM 9068 HG3 GLN B 54 186.199 187.301 233.288 1.00 67.18 H +ATOM 9069 HE21 GLN B 54 187.746 189.449 231.136 1.00 79.18 H +ATOM 9070 HE22 GLN B 54 188.698 188.482 230.522 1.00 79.18 H +ATOM 9071 N TYR B 55 183.583 190.846 230.969 1.00 46.87 N +ATOM 9072 CA TYR B 55 182.789 191.455 229.915 1.00 48.16 C +ATOM 9073 C TYR B 55 183.631 191.622 228.660 1.00 42.25 C +ATOM 9074 O TYR B 55 184.857 191.552 228.713 1.00 44.47 O +ATOM 9075 CB TYR B 55 182.231 192.813 230.358 1.00 42.38 C +ATOM 9076 CG TYR B 55 183.278 193.888 230.547 1.00 43.30 C +ATOM 9077 CD1 TYR B 55 183.858 194.111 231.787 1.00 50.50 C +ATOM 9078 CD2 TYR B 55 183.679 194.686 229.485 1.00 52.77 C +ATOM 9079 CE1 TYR B 55 184.813 195.094 231.964 1.00 40.76 C +ATOM 9080 CE2 TYR B 55 184.634 195.669 229.653 1.00 57.27 C +ATOM 9081 CZ TYR B 55 185.197 195.869 230.895 1.00 50.42 C +ATOM 9082 OH TYR B 55 186.145 196.846 231.070 1.00 51.82 O +ATOM 9083 H TYR B 55 184.365 191.192 231.055 1.00 56.25 H +ATOM 9084 HA TYR B 55 182.041 190.875 229.703 1.00 57.79 H +ATOM 9085 HB2 TYR B 55 181.605 193.126 229.686 1.00 50.86 H +ATOM 9086 HB3 TYR B 55 181.771 192.698 231.205 1.00 50.86 H +ATOM 9087 HD1 TYR B 55 183.601 193.588 232.512 1.00 60.60 H +ATOM 9088 HD2 TYR B 55 183.303 194.553 228.645 1.00 63.32 H +ATOM 9089 HE1 TYR B 55 185.194 195.230 232.802 1.00 48.91 H +ATOM 9090 HE2 TYR B 55 184.895 196.196 228.932 1.00 68.73 H +ATOM 9091 HH TYR B 55 186.286 197.242 230.342 1.00 62.18 H +ATOM 9092 N LYS B 56 182.959 191.832 227.535 1.00 50.12 N +ATOM 9093 CA LYS B 56 183.621 192.102 226.268 1.00 48.28 C +ATOM 9094 C LYS B 56 182.964 193.304 225.609 1.00 47.26 C +ATOM 9095 O LYS B 56 181.737 193.393 225.554 1.00 43.47 O +ATOM 9096 CB LYS B 56 183.556 190.880 225.348 1.00 49.83 C +ATOM 9097 CG LYS B 56 184.196 191.082 223.981 1.00 52.32 C +ATOM 9098 CD LYS B 56 185.672 191.425 224.097 1.00 60.32 C +ATOM 9099 CE LYS B 56 186.371 191.340 222.750 1.00 60.11 C +ATOM 9100 NZ LYS B 56 185.751 192.238 221.740 1.00 60.52 N +ATOM 9101 H LYS B 56 182.100 191.824 227.480 1.00 60.15 H +ATOM 9102 HA LYS B 56 184.554 192.313 226.431 1.00 57.93 H +ATOM 9103 HB2 LYS B 56 184.013 190.142 225.781 1.00 59.79 H +ATOM 9104 HB3 LYS B 56 182.625 190.649 225.206 1.00 59.79 H +ATOM 9105 HG2 LYS B 56 184.114 190.265 223.466 1.00 62.78 H +ATOM 9106 HG3 LYS B 56 183.750 191.813 223.524 1.00 62.78 H +ATOM 9107 HD2 LYS B 56 185.765 192.331 224.431 1.00 72.38 H +ATOM 9108 HD3 LYS B 56 186.100 190.798 224.701 1.00 72.38 H +ATOM 9109 HE2 LYS B 56 187.299 191.600 222.856 1.00 72.13 H +ATOM 9110 HE3 LYS B 56 186.315 190.430 222.419 1.00 72.13 H +ATOM 9111 HZ1 LYS B 56 186.182 192.165 220.964 1.00 72.63 H +ATOM 9112 HZ2 LYS B 56 184.898 192.016 221.619 1.00 72.63 H +ATOM 9113 HZ3 LYS B 56 185.794 193.082 222.017 1.00 72.63 H +ATOM 9114 N CYS B 57 183.783 194.232 225.125 1.00 39.95 N +ATOM 9115 CA CYS B 57 183.281 195.419 224.449 1.00 39.26 C +ATOM 9116 C CYS B 57 183.402 195.268 222.940 1.00 42.41 C +ATOM 9117 O CYS B 57 184.482 194.997 222.412 1.00 44.50 O +ATOM 9118 CB CYS B 57 184.032 196.668 224.906 1.00 40.98 C +ATOM 9119 SG CYS B 57 183.645 197.199 226.592 1.00 40.37 S +ATOM 9120 H CYS B 57 184.641 194.195 225.176 1.00 47.94 H +ATOM 9121 HA CYS B 57 182.343 195.535 224.666 1.00 47.11 H +ATOM 9122 HB2 CYS B 57 184.985 196.490 224.865 1.00 49.17 H +ATOM 9123 HB3 CYS B 57 183.811 197.400 224.309 1.00 49.17 H +ATOM 9124 N ASP B 58 182.278 195.438 222.257 1.00 37.33 N +ATOM 9125 CA ASP B 58 182.239 195.405 220.806 1.00 35.60 C +ATOM 9126 C ASP B 58 182.478 196.810 220.274 1.00 34.06 C +ATOM 9127 O ASP B 58 181.649 197.696 220.453 1.00 39.16 O +ATOM 9128 CB ASP B 58 180.898 194.861 220.322 1.00 40.44 C +ATOM 9129 CG ASP B 58 180.920 194.476 218.866 1.00 34.99 C +ATOM 9130 OD1 ASP B 58 181.863 194.881 218.154 1.00 37.45 O +ATOM 9131 OD2 ASP B 58 179.991 193.769 218.432 1.00 35.07 O +ATOM 9132 H ASP B 58 181.511 195.576 222.620 1.00 44.80 H +ATOM 9133 HA ASP B 58 182.944 194.826 220.475 1.00 42.72 H +ATOM 9134 HB2 ASP B 58 180.672 194.071 220.838 1.00 48.52 H +ATOM 9135 HB3 ASP B 58 180.219 195.543 220.442 1.00 48.52 H +ATOM 9136 N CYS B 59 183.621 197.007 219.626 1.00 36.52 N +ATOM 9137 CA CYS B 59 184.043 198.328 219.179 1.00 38.58 C +ATOM 9138 C CYS B 59 183.721 198.565 217.708 1.00 33.24 C +ATOM 9139 O CYS B 59 184.115 199.583 217.144 1.00 35.89 O +ATOM 9140 CB CYS B 59 185.546 198.506 219.417 1.00 43.88 C +ATOM 9141 SG CYS B 59 186.037 198.435 221.156 1.00 47.05 S +ATOM 9142 H CYS B 59 184.178 196.381 219.431 1.00 43.83 H +ATOM 9143 HA CYS B 59 183.576 199.000 219.699 1.00 46.29 H +ATOM 9144 HB2 CYS B 59 186.021 197.802 218.948 1.00 52.66 H +ATOM 9145 HB3 CYS B 59 185.816 199.371 219.070 1.00 52.66 H +ATOM 9146 N THR B 60 183.005 197.624 217.102 1.00 33.51 N +ATOM 9147 CA THR B 60 182.673 197.676 215.679 1.00 32.63 C +ATOM 9148 C THR B 60 182.123 199.033 215.238 1.00 28.18 C +ATOM 9149 O THR B 60 181.108 199.501 215.749 1.00 34.64 O +ATOM 9150 CB THR B 60 181.636 196.588 215.320 1.00 36.87 C +ATOM 9151 OG1 THR B 60 182.138 195.301 215.699 1.00 30.60 O +ATOM 9152 CG2 THR B 60 181.334 196.585 213.824 1.00 28.33 C +ATOM 9153 H THR B 60 182.693 196.929 217.501 1.00 40.21 H +ATOM 9154 HA THR B 60 183.476 197.501 215.165 1.00 39.15 H +ATOM 9155 HB THR B 60 180.810 196.763 215.797 1.00 44.24 H +ATOM 9156 HG1 THR B 60 182.282 195.281 216.526 1.00 36.72 H +ATOM 9157 HG21 THR B 60 180.682 195.896 213.619 1.00 34.00 H +ATOM 9158 HG22 THR B 60 180.977 197.446 213.556 1.00 34.00 H +ATOM 9159 HG23 THR B 60 182.145 196.410 213.322 1.00 34.00 H +ATOM 9160 N ARG B 61 182.815 199.648 214.284 1.00 33.40 N +ATOM 9161 CA ARG B 61 182.403 200.916 213.679 1.00 31.37 C +ATOM 9162 C ARG B 61 182.165 202.039 214.695 1.00 31.45 C +ATOM 9163 O ARG B 61 181.371 202.944 214.446 1.00 34.19 O +ATOM 9164 CB ARG B 61 181.140 200.703 212.836 1.00 29.09 C +ATOM 9165 CG ARG B 61 181.394 199.963 211.542 1.00 30.55 C +ATOM 9166 CD ARG B 61 180.134 199.840 210.709 1.00 26.72 C +ATOM 9167 NE ARG B 61 179.152 198.955 211.328 1.00 27.70 N +ATOM 9168 CZ ARG B 61 179.197 197.628 211.272 1.00 32.89 C +ATOM 9169 NH1 ARG B 61 178.257 196.907 211.867 1.00 29.34 N +ATOM 9170 NH2 ARG B 61 180.184 197.017 210.630 1.00 38.24 N +ATOM 9171 H ARG B 61 183.551 199.342 213.959 1.00 40.08 H +ATOM 9172 HA ARG B 61 183.106 201.211 213.080 1.00 37.64 H +ATOM 9173 HB2 ARG B 61 180.501 200.187 213.353 1.00 34.91 H +ATOM 9174 HB3 ARG B 61 180.762 201.569 212.615 1.00 34.91 H +ATOM 9175 HG2 ARG B 61 182.055 200.447 211.022 1.00 36.66 H +ATOM 9176 HG3 ARG B 61 181.714 199.070 211.742 1.00 36.66 H +ATOM 9177 HD2 ARG B 61 179.730 200.717 210.610 1.00 32.06 H +ATOM 9178 HD3 ARG B 61 180.361 199.477 209.839 1.00 32.06 H +ATOM 9179 HE ARG B 61 178.500 199.317 211.757 1.00 33.24 H +ATOM 9180 HH11 ARG B 61 177.616 197.298 212.286 1.00 35.20 H +ATOM 9181 HH12 ARG B 61 178.288 196.049 211.833 1.00 35.20 H +ATOM 9182 HH21 ARG B 61 180.796 197.480 210.243 1.00 45.88 H +ATOM 9183 HH22 ARG B 61 180.209 196.158 210.599 1.00 45.88 H +ATOM 9184 N THR B 62 182.861 201.992 215.827 1.00 35.11 N +ATOM 9185 CA THR B 62 182.795 203.075 216.806 1.00 31.06 C +ATOM 9186 C THR B 62 183.818 204.166 216.505 1.00 38.75 C +ATOM 9187 O THR B 62 183.673 205.303 216.955 1.00 35.92 O +ATOM 9188 CB THR B 62 183.040 202.571 218.240 1.00 37.61 C +ATOM 9189 OG1 THR B 62 184.337 201.965 218.327 1.00 38.32 O +ATOM 9190 CG2 THR B 62 181.972 201.565 218.649 1.00 39.63 C +ATOM 9191 H THR B 62 183.379 201.344 216.053 1.00 42.13 H +ATOM 9192 HA THR B 62 181.911 203.474 216.776 1.00 37.28 H +ATOM 9193 HB THR B 62 182.998 203.322 218.852 1.00 45.13 H +ATOM 9194 HG1 THR B 62 184.387 201.316 217.796 1.00 45.98 H +ATOM 9195 HG21 THR B 62 182.137 201.255 219.553 1.00 47.55 H +ATOM 9196 HG22 THR B 62 181.096 201.980 218.613 1.00 47.55 H +ATOM 9197 HG23 THR B 62 181.985 200.804 218.047 1.00 47.55 H +ATOM 9198 N GLY B 63 184.847 203.816 215.740 1.00 34.81 N +ATOM 9199 CA GLY B 63 185.964 204.712 215.499 1.00 43.08 C +ATOM 9200 C GLY B 63 187.018 204.573 216.581 1.00 40.95 C +ATOM 9201 O GLY B 63 188.001 205.314 216.600 1.00 44.38 O +ATOM 9202 H GLY B 63 184.920 203.055 215.346 1.00 41.77 H +ATOM 9203 HA2 GLY B 63 186.368 204.507 214.641 1.00 51.70 H +ATOM 9204 HA3 GLY B 63 185.650 205.629 215.485 1.00 51.70 H +ATOM 9205 N PHE B 64 186.809 203.618 217.482 1.00 36.17 N +ATOM 9206 CA PHE B 64 187.729 203.366 218.584 1.00 39.89 C +ATOM 9207 C PHE B 64 188.070 201.883 218.681 1.00 41.68 C +ATOM 9208 O PHE B 64 187.482 201.052 217.990 1.00 42.32 O +ATOM 9209 CB PHE B 64 187.124 203.841 219.908 1.00 37.87 C +ATOM 9210 CG PHE B 64 186.903 205.324 219.978 1.00 38.26 C +ATOM 9211 CD1 PHE B 64 185.785 205.899 219.400 1.00 40.48 C +ATOM 9212 CD2 PHE B 64 187.808 206.142 220.629 1.00 43.41 C +ATOM 9213 CE1 PHE B 64 185.580 207.266 219.466 1.00 43.41 C +ATOM 9214 CE2 PHE B 64 187.607 207.507 220.698 1.00 46.90 C +ATOM 9215 CZ PHE B 64 186.491 208.068 220.116 1.00 46.18 C +ATOM 9216 H PHE B 64 186.128 203.093 217.475 1.00 43.40 H +ATOM 9217 HA PHE B 64 188.551 203.857 218.433 1.00 47.87 H +ATOM 9218 HB2 PHE B 64 186.266 203.407 220.033 1.00 45.45 H +ATOM 9219 HB3 PHE B 64 187.724 203.597 220.630 1.00 45.45 H +ATOM 9220 HD1 PHE B 64 185.167 205.362 218.960 1.00 48.58 H +ATOM 9221 HD2 PHE B 64 188.563 205.768 221.023 1.00 52.09 H +ATOM 9222 HE1 PHE B 64 184.826 207.642 219.073 1.00 52.09 H +ATOM 9223 HE2 PHE B 64 188.224 208.046 221.137 1.00 56.27 H +ATOM 9224 HZ PHE B 64 186.354 208.987 220.161 1.00 55.41 H +ATOM 9225 N TYR B 65 189.029 201.566 219.542 1.00 39.29 N +ATOM 9226 CA TYR B 65 189.367 200.184 219.848 1.00 41.65 C +ATOM 9227 C TYR B 65 189.961 200.116 221.248 1.00 40.84 C +ATOM 9228 O TYR B 65 190.129 201.142 221.905 1.00 38.29 O +ATOM 9229 CB TYR B 65 190.341 199.608 218.817 1.00 38.04 C +ATOM 9230 CG TYR B 65 191.649 200.357 218.713 1.00 42.37 C +ATOM 9231 CD1 TYR B 65 191.796 201.408 217.821 1.00 45.62 C +ATOM 9232 CD2 TYR B 65 192.738 200.010 219.504 1.00 41.91 C +ATOM 9233 CE1 TYR B 65 192.986 202.095 217.720 1.00 58.44 C +ATOM 9234 CE2 TYR B 65 193.933 200.692 219.408 1.00 39.26 C +ATOM 9235 CZ TYR B 65 194.052 201.734 218.515 1.00 53.07 C +ATOM 9236 OH TYR B 65 195.237 202.419 218.412 1.00 54.18 O +ATOM 9237 H TYR B 65 189.505 202.143 219.967 1.00 47.14 H +ATOM 9238 HA TYR B 65 188.559 199.648 219.835 1.00 49.98 H +ATOM 9239 HB2 TYR B 65 190.545 198.692 219.060 1.00 45.65 H +ATOM 9240 HB3 TYR B 65 189.919 199.629 217.945 1.00 45.65 H +ATOM 9241 HD1 TYR B 65 191.079 201.655 217.283 1.00 54.74 H +ATOM 9242 HD2 TYR B 65 192.659 199.308 220.108 1.00 50.29 H +ATOM 9243 HE1 TYR B 65 193.070 202.798 217.118 1.00 70.13 H +ATOM 9244 HE2 TYR B 65 194.654 200.451 219.944 1.00 47.11 H +ATOM 9245 HH TYR B 65 195.800 202.101 218.948 1.00 65.02 H +ATOM 9246 N GLY B 66 190.274 198.905 221.694 1.00 35.88 N +ATOM 9247 CA GLY B 66 190.777 198.683 223.036 1.00 45.69 C +ATOM 9248 C GLY B 66 189.734 197.984 223.884 1.00 46.97 C +ATOM 9249 O GLY B 66 188.606 197.775 223.437 1.00 51.41 O +ATOM 9250 H GLY B 66 190.201 198.186 221.228 1.00 43.06 H +ATOM 9251 HA2 GLY B 66 191.574 198.131 223.002 1.00 54.83 H +ATOM 9252 HA3 GLY B 66 191.000 199.532 223.449 1.00 54.83 H +ATOM 9253 N GLU B 67 190.111 197.630 225.108 1.00 53.12 N +ATOM 9254 CA GLU B 67 189.235 196.880 226.003 1.00 58.80 C +ATOM 9255 C GLU B 67 187.895 197.577 226.221 1.00 57.82 C +ATOM 9256 O GLU B 67 186.865 196.919 226.354 1.00 49.14 O +ATOM 9257 CB GLU B 67 189.920 196.661 227.353 1.00 67.26 C +ATOM 9258 CG GLU B 67 189.085 195.868 228.349 1.00 76.03 C +ATOM 9259 CD GLU B 67 189.813 195.614 229.652 1.00 81.19 C +ATOM 9260 OE1 GLU B 67 190.766 196.361 229.957 1.00 85.06 O +ATOM 9261 OE2 GLU B 67 189.434 194.666 230.370 1.00 82.46 O +ATOM 9262 H GLU B 67 190.879 197.814 225.448 1.00 63.74 H +ATOM 9263 HA GLU B 67 189.059 196.010 225.613 1.00 70.56 H +ATOM 9264 HB2 GLU B 67 190.747 196.175 227.208 1.00 80.72 H +ATOM 9265 HB3 GLU B 67 190.112 197.525 227.749 1.00 80.72 H +ATOM 9266 HG2 GLU B 67 188.276 196.365 228.550 1.00 91.24 H +ATOM 9267 HG3 GLU B 67 188.859 195.009 227.960 1.00 91.24 H +ATOM 9268 N ASN B 68 187.918 198.905 226.251 1.00 65.57 N +ATOM 9269 CA ASN B 68 186.730 199.698 226.555 1.00 57.70 C +ATOM 9270 C ASN B 68 186.350 200.652 225.423 1.00 45.09 C +ATOM 9271 O ASN B 68 185.538 201.555 225.617 1.00 43.27 O +ATOM 9272 CB ASN B 68 186.954 200.488 227.845 1.00 56.00 C +ATOM 9273 CG ASN B 68 187.280 199.594 229.026 1.00 77.64 C +ATOM 9274 OD1 ASN B 68 186.686 198.529 229.196 1.00 72.66 O +ATOM 9275 ND2 ASN B 68 188.231 200.021 229.850 1.00107.67 N +ATOM 9276 H ASN B 68 188.619 199.378 226.097 1.00 78.68 H +ATOM 9277 HA ASN B 68 185.982 199.098 226.700 1.00 69.24 H +ATOM 9278 HB2 ASN B 68 187.696 201.100 227.717 1.00 67.19 H +ATOM 9279 HB3 ASN B 68 186.148 200.984 228.057 1.00 67.19 H +ATOM 9280 HD21 ASN B 68 188.622 200.771 229.699 1.00129.20 H +ATOM 9281 N CYS B 69 186.929 200.438 224.245 1.00 45.56 N +ATOM 9282 CA CYS B 69 186.671 201.295 223.088 1.00 43.77 C +ATOM 9283 C CYS B 69 186.982 202.759 223.391 1.00 43.85 C +ATOM 9284 O CYS B 69 186.203 203.643 223.043 1.00 46.88 O +ATOM 9285 CB CYS B 69 185.211 201.167 222.632 1.00 47.87 C +ATOM 9286 SG CYS B 69 184.683 199.488 222.246 1.00 54.95 S +ATOM 9287 H CYS B 69 187.481 199.798 224.087 1.00 54.67 H +ATOM 9288 HA CYS B 69 187.239 201.014 222.354 1.00 52.52 H +ATOM 9289 HB2 CYS B 69 184.636 201.499 223.339 1.00 57.44 H +ATOM 9290 HB3 CYS B 69 185.088 201.704 221.833 1.00 57.44 H +ATOM 9291 N SER B 70 188.119 203.011 224.035 1.00 47.15 N +ATOM 9292 CA SER B 70 188.482 204.362 224.453 1.00 43.39 C +ATOM 9293 C SER B 70 189.714 204.898 223.722 1.00 44.37 C +ATOM 9294 O SER B 70 190.047 206.076 223.849 1.00 46.89 O +ATOM 9295 CB SER B 70 188.722 204.399 225.965 1.00 34.38 C +ATOM 9296 OG SER B 70 189.727 203.479 226.350 1.00 60.52 O +ATOM 9297 H SER B 70 188.700 202.413 224.243 1.00 56.58 H +ATOM 9298 HA SER B 70 187.742 204.958 224.258 1.00 52.06 H +ATOM 9299 HB2 SER B 70 189.000 205.293 226.217 1.00 41.26 H +ATOM 9300 HB3 SER B 70 187.896 204.170 226.419 1.00 41.26 H +ATOM 9301 HG SER B 70 189.845 203.513 227.181 1.00 72.63 H +ATOM 9302 N THR B 71 190.384 204.044 222.954 1.00 45.39 N +ATOM 9303 CA THR B 71 191.519 204.478 222.144 1.00 47.53 C +ATOM 9304 C THR B 71 191.036 204.863 220.744 1.00 40.92 C +ATOM 9305 O THR B 71 190.429 204.046 220.055 1.00 43.89 O +ATOM 9306 CB THR B 71 192.594 203.386 222.023 1.00 45.96 C +ATOM 9307 OG1 THR B 71 192.970 202.939 223.331 1.00 49.90 O +ATOM 9308 CG2 THR B 71 193.828 203.923 221.296 1.00 42.09 C +ATOM 9309 H THR B 71 190.202 203.206 222.884 1.00 54.47 H +ATOM 9310 HA THR B 71 191.924 205.260 222.552 1.00 57.03 H +ATOM 9311 HB THR B 71 192.240 202.639 221.515 1.00 55.15 H +ATOM 9312 HG1 THR B 71 192.301 202.625 223.730 1.00 59.88 H +ATOM 9313 HG21 THR B 71 194.500 203.227 221.225 1.00 50.51 H +ATOM 9314 HG22 THR B 71 193.585 204.219 220.405 1.00 50.51 H +ATOM 9315 HG23 THR B 71 194.201 204.673 221.787 1.00 50.51 H +ATOM 9316 N PRO B 72 191.302 206.108 220.311 1.00 37.00 N +ATOM 9317 CA PRO B 72 190.806 206.529 218.997 1.00 46.37 C +ATOM 9318 C PRO B 72 191.676 206.058 217.838 1.00 49.71 C +ATOM 9319 O PRO B 72 192.898 206.010 217.961 1.00 57.40 O +ATOM 9320 CB PRO B 72 190.834 208.053 219.097 1.00 49.33 C +ATOM 9321 CG PRO B 72 191.976 208.330 220.009 1.00 44.22 C +ATOM 9322 CD PRO B 72 191.997 207.205 221.009 1.00 42.68 C +ATOM 9323 HA PRO B 72 189.894 206.228 218.863 1.00 55.64 H +ATOM 9324 HB2 PRO B 72 190.988 208.439 218.221 1.00 59.20 H +ATOM 9325 HB3 PRO B 72 190.001 208.374 219.477 1.00 59.20 H +ATOM 9326 HG2 PRO B 72 192.801 208.346 219.499 1.00 53.07 H +ATOM 9327 HG3 PRO B 72 191.836 209.179 220.456 1.00 53.07 H +ATOM 9328 HD2 PRO B 72 192.910 206.950 221.213 1.00 51.22 H +ATOM 9329 HD3 PRO B 72 191.511 207.456 221.810 1.00 51.22 H +ATOM 9330 N GLU B 73 191.041 205.712 216.724 1.00 48.18 N +ATOM 9331 CA GLU B 73 191.759 205.472 215.481 1.00 41.01 C +ATOM 9332 C GLU B 73 192.201 206.828 214.950 1.00 48.56 C +ATOM 9333 O GLU B 73 191.782 207.861 215.472 1.00 49.63 O +ATOM 9334 CB GLU B 73 190.878 204.734 214.478 1.00 44.85 C +ATOM 9335 CG GLU B 73 190.439 203.358 214.962 1.00 48.21 C +ATOM 9336 CD GLU B 73 189.262 202.801 214.187 1.00 53.05 C +ATOM 9337 OE1 GLU B 73 188.626 203.561 213.427 1.00 50.20 O +ATOM 9338 OE2 GLU B 73 188.971 201.597 214.341 1.00 58.08 O +ATOM 9339 H GLU B 73 190.190 205.610 216.662 1.00 57.82 H +ATOM 9340 HA GLU B 73 192.547 204.935 215.657 1.00 49.21 H +ATOM 9341 HB2 GLU B 73 190.080 205.261 214.313 1.00 53.82 H +ATOM 9342 HB3 GLU B 73 191.373 204.616 213.652 1.00 53.82 H +ATOM 9343 HG2 GLU B 73 191.180 202.739 214.865 1.00 57.86 H +ATOM 9344 HG3 GLU B 73 190.179 203.420 215.894 1.00 57.86 H +ATOM 9345 N PHE B 74 193.036 206.843 213.917 1.00 48.46 N +ATOM 9346 CA PHE B 74 193.694 208.086 213.530 1.00 65.49 C +ATOM 9347 C PHE B 74 192.731 209.142 212.989 1.00 51.87 C +ATOM 9348 O PHE B 74 192.859 210.318 213.319 1.00 49.43 O +ATOM 9349 CB PHE B 74 194.786 207.824 212.494 1.00 68.85 C +ATOM 9350 CG PHE B 74 195.756 208.960 212.357 1.00 74.85 C +ATOM 9351 CD1 PHE B 74 196.688 209.207 213.351 1.00 76.62 C +ATOM 9352 CD2 PHE B 74 195.725 209.793 211.254 1.00 77.17 C +ATOM 9353 CE1 PHE B 74 197.576 210.253 213.242 1.00 83.51 C +ATOM 9354 CE2 PHE B 74 196.616 210.844 211.140 1.00 85.08 C +ATOM 9355 CZ PHE B 74 197.541 211.073 212.135 1.00 86.24 C +ATOM 9356 H PHE B 74 193.235 206.162 213.432 1.00 58.15 H +ATOM 9357 HA PHE B 74 194.123 208.461 214.315 1.00 78.59 H +ATOM 9358 HB2 PHE B 74 195.285 207.035 212.756 1.00 82.62 H +ATOM 9359 HB3 PHE B 74 194.371 207.680 211.629 1.00 82.62 H +ATOM 9360 HD1 PHE B 74 196.716 208.657 214.100 1.00 91.95 H +ATOM 9361 HD2 PHE B 74 195.102 209.642 210.580 1.00 92.60 H +ATOM 9362 HE1 PHE B 74 198.200 210.406 213.914 1.00100.21 H +ATOM 9363 HE2 PHE B 74 196.590 211.396 210.392 1.00102.10 H +ATOM 9364 HZ PHE B 74 198.142 211.779 212.060 1.00103.49 H +ATOM 9365 N LEU B 75 191.778 208.736 212.157 1.00 51.21 N +ATOM 9366 CA LEU B 75 190.837 209.692 211.582 1.00 47.09 C +ATOM 9367 C LEU B 75 189.865 210.189 212.640 1.00 48.27 C +ATOM 9368 O LEU B 75 189.334 211.294 212.537 1.00 51.74 O +ATOM 9369 CB LEU B 75 190.074 209.074 210.412 1.00 48.74 C +ATOM 9370 CG LEU B 75 190.904 208.626 209.203 1.00 78.51 C +ATOM 9371 CD1 LEU B 75 190.022 208.595 207.965 1.00 60.21 C +ATOM 9372 CD2 LEU B 75 192.127 209.513 208.971 1.00 67.18 C +ATOM 9373 H LEU B 75 191.655 207.921 211.911 1.00 61.45 H +ATOM 9374 HA LEU B 75 191.331 210.457 211.247 1.00 56.51 H +ATOM 9375 HB2 LEU B 75 189.600 208.294 210.739 1.00 58.48 H +ATOM 9376 HB3 LEU B 75 189.432 209.727 210.091 1.00 58.48 H +ATOM 9377 HG LEU B 75 191.221 207.723 209.362 1.00 94.21 H +ATOM 9378 HD11 LEU B 75 190.555 208.311 207.206 1.00 72.25 H +ATOM 9379 HD12 LEU B 75 189.295 207.971 208.112 1.00 72.25 H +ATOM 9380 HD13 LEU B 75 189.669 209.485 207.807 1.00 72.25 H +ATOM 9381 HD21 LEU B 75 192.613 209.184 208.198 1.00 80.62 H +ATOM 9382 HD22 LEU B 75 191.832 210.423 208.814 1.00 80.62 H +ATOM 9383 HD23 LEU B 75 192.695 209.479 209.757 1.00 80.62 H +ATOM 9384 N THR B 76 189.633 209.367 213.655 1.00 40.69 N +ATOM 9385 CA THR B 76 188.827 209.785 214.789 1.00 49.30 C +ATOM 9386 C THR B 76 189.539 210.928 215.508 1.00 52.92 C +ATOM 9387 O THR B 76 188.918 211.928 215.863 1.00 40.70 O +ATOM 9388 CB THR B 76 188.572 208.622 215.762 1.00 44.43 C +ATOM 9389 OG1 THR B 76 188.059 207.499 215.037 1.00 47.48 O +ATOM 9390 CG2 THR B 76 187.580 209.021 216.838 1.00 42.41 C +ATOM 9391 H THR B 76 189.932 208.562 213.710 1.00 48.83 H +ATOM 9392 HA THR B 76 187.971 210.111 214.471 1.00 59.16 H +ATOM 9393 HB THR B 76 189.406 208.373 216.191 1.00 53.31 H +ATOM 9394 HG1 THR B 76 187.917 206.859 215.562 1.00 56.97 H +ATOM 9395 HG21 THR B 76 187.430 208.278 217.443 1.00 50.89 H +ATOM 9396 HG22 THR B 76 187.924 209.774 217.343 1.00 50.89 H +ATOM 9397 HG23 THR B 76 186.736 209.273 216.432 1.00 50.89 H +ATOM 9398 N ARG B 77 190.849 210.783 215.701 1.00 56.02 N +ATOM 9399 CA ARG B 77 191.653 211.817 216.352 1.00 51.57 C +ATOM 9400 C ARG B 77 191.600 213.134 215.591 1.00 41.12 C +ATOM 9401 O ARG B 77 191.515 214.202 216.194 1.00 47.77 O +ATOM 9402 CB ARG B 77 193.109 211.375 216.484 1.00 46.39 C +ATOM 9403 CG ARG B 77 193.333 210.212 217.424 1.00 56.30 C +ATOM 9404 CD ARG B 77 194.813 209.961 217.616 1.00 63.68 C +ATOM 9405 NE ARG B 77 195.453 211.038 218.363 1.00 67.19 N +ATOM 9406 CZ ARG B 77 196.768 211.189 218.483 1.00 68.15 C +ATOM 9407 NH1 ARG B 77 197.257 212.200 219.186 1.00 56.17 N +ATOM 9408 NH2 ARG B 77 197.595 210.333 217.896 1.00 55.41 N +ATOM 9409 H ARG B 77 191.299 210.090 215.462 1.00 67.22 H +ATOM 9410 HA ARG B 77 191.304 211.972 217.243 1.00 61.88 H +ATOM 9411 HB2 ARG B 77 193.434 211.112 215.609 1.00 55.67 H +ATOM 9412 HB3 ARG B 77 193.631 212.123 216.815 1.00 55.67 H +ATOM 9413 HG2 ARG B 77 192.941 210.414 218.288 1.00 67.56 H +ATOM 9414 HG3 ARG B 77 192.931 209.412 217.049 1.00 67.56 H +ATOM 9415 HD2 ARG B 77 194.936 209.135 218.110 1.00 76.41 H +ATOM 9416 HD3 ARG B 77 195.241 209.898 216.747 1.00 76.41 H +ATOM 9417 HE ARG B 77 194.946 211.613 218.752 1.00 80.63 H +ATOM 9418 HH11 ARG B 77 196.723 212.757 219.566 1.00 67.40 H +ATOM 9419 HH12 ARG B 77 198.108 212.300 219.262 1.00 67.40 H +ATOM 9420 HH21 ARG B 77 197.280 209.675 217.440 1.00 66.49 H +ATOM 9421 HH22 ARG B 77 198.445 210.434 217.975 1.00 66.49 H +ATOM 9422 N ILE B 78 191.664 213.052 214.266 1.00 43.91 N +ATOM 9423 CA ILE B 78 191.570 214.238 213.426 1.00 44.02 C +ATOM 9424 C ILE B 78 190.182 214.855 213.543 1.00 47.40 C +ATOM 9425 O ILE B 78 190.051 216.070 213.675 1.00 48.51 O +ATOM 9426 CB ILE B 78 191.872 213.914 211.952 1.00 47.21 C +ATOM 9427 CG1 ILE B 78 193.307 213.397 211.818 1.00 61.97 C +ATOM 9428 CG2 ILE B 78 191.666 215.153 211.074 1.00 49.40 C +ATOM 9429 CD1 ILE B 78 193.690 212.963 210.419 1.00 61.26 C +ATOM 9430 H ILE B 78 191.762 212.319 213.829 1.00 52.69 H +ATOM 9431 HA ILE B 78 192.218 214.894 213.729 1.00 52.82 H +ATOM 9432 HB ILE B 78 191.263 213.220 211.656 1.00 56.65 H +ATOM 9433 HG12 ILE B 78 193.917 214.102 212.084 1.00 74.36 H +ATOM 9434 HG13 ILE B 78 193.417 212.632 212.403 1.00 74.36 H +ATOM 9435 HG21 ILE B 78 191.862 214.922 210.152 1.00 59.28 H +ATOM 9436 HG22 ILE B 78 190.745 215.447 211.153 1.00 59.28 H +ATOM 9437 HG23 ILE B 78 192.265 215.855 211.374 1.00 59.28 H +ATOM 9438 HD11 ILE B 78 194.609 212.652 210.426 1.00 73.51 H +ATOM 9439 HD12 ILE B 78 193.100 212.246 210.138 1.00 73.51 H +ATOM 9440 HD13 ILE B 78 193.600 213.720 209.819 1.00 73.51 H +ATOM 9441 N LYS B 79 189.154 214.014 213.487 1.00 45.95 N +ATOM 9442 CA LYS B 79 187.781 214.479 213.640 1.00 44.82 C +ATOM 9443 C LYS B 79 187.599 215.216 214.960 1.00 49.39 C +ATOM 9444 O LYS B 79 187.042 216.313 214.999 1.00 46.20 O +ATOM 9445 CB LYS B 79 186.799 213.309 213.565 1.00 52.27 C +ATOM 9446 CG LYS B 79 186.413 212.900 212.150 1.00 59.45 C +ATOM 9447 CD LYS B 79 185.304 211.852 212.144 1.00 68.89 C +ATOM 9448 CE LYS B 79 183.983 212.416 212.662 1.00110.17 C +ATOM 9449 NZ LYS B 79 182.877 211.421 212.612 1.00 78.01 N +ATOM 9450 H LYS B 79 189.226 213.167 213.361 1.00 55.14 H +ATOM 9451 HA LYS B 79 187.573 215.095 212.920 1.00 53.78 H +ATOM 9452 HB2 LYS B 79 187.201 212.538 213.995 1.00 62.72 H +ATOM 9453 HB3 LYS B 79 185.985 213.557 214.032 1.00 62.72 H +ATOM 9454 HG2 LYS B 79 186.096 213.680 211.668 1.00 71.34 H +ATOM 9455 HG3 LYS B 79 187.188 212.523 211.704 1.00 71.34 H +ATOM 9456 HD2 LYS B 79 185.165 211.541 211.235 1.00 82.67 H +ATOM 9457 HD3 LYS B 79 185.562 211.112 212.715 1.00 82.67 H +ATOM 9458 HE2 LYS B 79 184.097 212.692 213.584 1.00132.20 H +ATOM 9459 HE3 LYS B 79 183.728 213.176 212.116 1.00132.20 H +ATOM 9460 HZ1 LYS B 79 182.127 211.785 212.921 1.00 93.61 H +ATOM 9461 HZ2 LYS B 79 182.746 211.154 211.773 1.00 93.61 H +ATOM 9462 HZ3 LYS B 79 183.082 210.713 213.112 1.00 93.61 H +ATOM 9463 N LEU B 80 188.075 214.609 216.041 1.00 45.39 N +ATOM 9464 CA LEU B 80 187.912 215.179 217.371 1.00 55.43 C +ATOM 9465 C LEU B 80 188.691 216.478 217.518 1.00 56.50 C +ATOM 9466 O LEU B 80 188.231 217.411 218.175 1.00 61.62 O +ATOM 9467 CB LEU B 80 188.351 214.177 218.441 1.00 53.16 C +ATOM 9468 CG LEU B 80 187.496 212.912 218.568 1.00 47.98 C +ATOM 9469 CD1 LEU B 80 188.065 211.990 219.631 1.00 52.83 C +ATOM 9470 CD2 LEU B 80 186.049 213.254 218.879 1.00 86.47 C +ATOM 9471 H LEU B 80 188.498 213.860 216.030 1.00 54.47 H +ATOM 9472 HA LEU B 80 186.973 215.377 217.515 1.00 66.52 H +ATOM 9473 HB2 LEU B 80 189.257 213.894 218.240 1.00 63.79 H +ATOM 9474 HB3 LEU B 80 188.337 214.624 219.301 1.00 63.79 H +ATOM 9475 HG LEU B 80 187.513 212.436 217.723 1.00 57.57 H +ATOM 9476 HD11 LEU B 80 187.508 211.198 219.693 1.00 63.40 H +ATOM 9477 HD12 LEU B 80 188.968 211.740 219.381 1.00 63.40 H +ATOM 9478 HD13 LEU B 80 188.074 212.456 220.482 1.00 63.40 H +ATOM 9479 HD21 LEU B 80 185.540 212.432 218.952 1.00103.76 H +ATOM 9480 HD22 LEU B 80 186.014 213.742 219.716 1.00103.76 H +ATOM 9481 HD23 LEU B 80 185.694 213.801 218.161 1.00103.76 H +ATOM 9482 N PHE B 81 189.866 216.541 216.904 1.00 49.29 N +ATOM 9483 CA PHE B 81 190.689 217.741 216.980 1.00 61.07 C +ATOM 9484 C PHE B 81 190.023 218.915 216.269 1.00 50.65 C +ATOM 9485 O PHE B 81 190.116 220.054 216.720 1.00 47.47 O +ATOM 9486 CB PHE B 81 192.074 217.487 216.380 1.00 67.79 C +ATOM 9487 CG PHE B 81 192.950 218.709 216.346 1.00 68.55 C +ATOM 9488 CD1 PHE B 81 193.417 219.275 217.520 1.00 58.46 C +ATOM 9489 CD2 PHE B 81 193.302 219.293 215.141 1.00 62.31 C +ATOM 9490 CE1 PHE B 81 194.216 220.400 217.493 1.00 80.64 C +ATOM 9491 CE2 PHE B 81 194.103 220.419 215.110 1.00 70.47 C +ATOM 9492 CZ PHE B 81 194.560 220.971 216.288 1.00 84.71 C +ATOM 9493 H PHE B 81 190.210 215.905 216.439 1.00 59.14 H +ATOM 9494 HA PHE B 81 190.806 217.984 217.911 1.00 73.29 H +ATOM 9495 HB2 PHE B 81 192.526 216.812 216.912 1.00 81.35 H +ATOM 9496 HB3 PHE B 81 191.968 217.171 215.469 1.00 81.35 H +ATOM 9497 HD1 PHE B 81 193.187 218.894 218.337 1.00 70.15 H +ATOM 9498 HD2 PHE B 81 192.995 218.925 214.344 1.00 74.77 H +ATOM 9499 HE1 PHE B 81 194.524 220.771 218.288 1.00 96.77 H +ATOM 9500 HE2 PHE B 81 194.334 220.803 214.296 1.00 84.56 H +ATOM 9501 HZ PHE B 81 195.100 221.728 216.269 1.00101.65 H +ATOM 9502 N LEU B 82 189.346 218.633 215.161 1.00 46.63 N +ATOM 9503 CA LEU B 82 188.741 219.681 214.342 1.00 51.09 C +ATOM 9504 C LEU B 82 187.338 220.072 214.800 1.00 53.77 C +ATOM 9505 O LEU B 82 186.895 221.192 214.548 1.00 55.92 O +ATOM 9506 CB LEU B 82 188.686 219.241 212.876 1.00 46.50 C +ATOM 9507 CG LEU B 82 190.024 219.004 212.165 1.00 51.79 C +ATOM 9508 CD1 LEU B 82 189.781 218.668 210.704 1.00 50.09 C +ATOM 9509 CD2 LEU B 82 190.946 220.206 212.288 1.00 54.03 C +ATOM 9510 H LEU B 82 189.221 217.838 214.859 1.00 55.96 H +ATOM 9511 HA LEU B 82 189.298 220.474 214.392 1.00 61.31 H +ATOM 9512 HB2 LEU B 82 188.188 218.410 212.830 1.00 55.80 H +ATOM 9513 HB3 LEU B 82 188.214 219.923 212.375 1.00 55.80 H +ATOM 9514 HG LEU B 82 190.467 218.246 212.575 1.00 62.15 H +ATOM 9515 HD11 LEU B 82 190.636 218.521 210.268 1.00 60.10 H +ATOM 9516 HD12 LEU B 82 189.240 217.865 210.650 1.00 60.10 H +ATOM 9517 HD13 LEU B 82 189.318 219.408 210.282 1.00 60.10 H +ATOM 9518 HD21 LEU B 82 191.777 220.015 211.825 1.00 64.83 H +ATOM 9519 HD22 LEU B 82 190.514 220.977 211.887 1.00 64.83 H +ATOM 9520 HD23 LEU B 82 191.120 220.375 213.227 1.00 64.83 H +ATOM 9521 N LYS B 83 186.642 219.159 215.467 1.00 53.05 N +ATOM 9522 CA LYS B 83 185.248 219.390 215.837 1.00 43.33 C +ATOM 9523 C LYS B 83 185.097 220.499 216.883 1.00 43.11 C +ATOM 9524 O LYS B 83 185.599 220.371 217.997 1.00 42.30 O +ATOM 9525 CB LYS B 83 184.616 218.103 216.367 1.00 54.55 C +ATOM 9526 CG LYS B 83 183.712 217.411 215.357 1.00 76.75 C +ATOM 9527 CD LYS B 83 183.171 216.092 215.888 1.00 95.68 C +ATOM 9528 CE LYS B 83 182.300 215.397 214.853 1.00107.80 C +ATOM 9529 NZ LYS B 83 181.935 214.010 215.254 1.00110.25 N +ATOM 9530 H LYS B 83 186.952 218.397 215.717 1.00 63.65 H +ATOM 9531 HA LYS B 83 184.756 219.660 215.046 1.00 51.99 H +ATOM 9532 HB2 LYS B 83 185.321 217.483 216.609 1.00 65.47 H +ATOM 9533 HB3 LYS B 83 184.081 218.315 217.148 1.00 65.47 H +ATOM 9534 HG2 LYS B 83 182.959 217.987 215.155 1.00 92.10 H +ATOM 9535 HG3 LYS B 83 184.219 217.227 214.550 1.00 92.10 H +ATOM 9536 HD2 LYS B 83 183.912 215.505 216.106 1.00114.82 H +ATOM 9537 HD3 LYS B 83 182.631 216.261 216.676 1.00114.82 H +ATOM 9538 HE2 LYS B 83 181.481 215.902 214.737 1.00129.36 H +ATOM 9539 HE3 LYS B 83 182.783 215.349 214.013 1.00129.36 H +ATOM 9540 HZ1 LYS B 83 181.427 213.636 214.626 1.00132.30 H +ATOM 9541 HZ2 LYS B 83 182.671 213.521 215.361 1.00132.30 H +ATOM 9542 HZ3 LYS B 83 181.483 214.025 216.021 1.00132.30 H +ATOM 9543 N PRO B 84 184.400 221.597 216.531 1.00 40.59 N +ATOM 9544 CA PRO B 84 184.106 222.619 217.542 1.00 38.31 C +ATOM 9545 C PRO B 84 183.080 222.128 218.556 1.00 36.82 C +ATOM 9546 O PRO B 84 182.285 221.247 218.236 1.00 36.12 O +ATOM 9547 CB PRO B 84 183.551 223.779 216.714 1.00 38.99 C +ATOM 9548 CG PRO B 84 182.984 223.131 215.507 1.00 40.02 C +ATOM 9549 CD PRO B 84 183.876 221.974 215.207 1.00 33.70 C +ATOM 9550 HA PRO B 84 184.915 222.898 217.998 1.00 45.97 H +ATOM 9551 HB2 PRO B 84 182.860 224.240 217.215 1.00 46.79 H +ATOM 9552 HB3 PRO B 84 184.269 224.386 216.476 1.00 46.79 H +ATOM 9553 HG2 PRO B 84 182.083 222.827 215.695 1.00 48.03 H +ATOM 9554 HG3 PRO B 84 182.985 223.762 214.770 1.00 48.03 H +ATOM 9555 HD2 PRO B 84 183.365 221.243 214.825 1.00 40.44 H +ATOM 9556 HD3 PRO B 84 184.600 222.247 214.621 1.00 40.44 H +ATOM 9557 N THR B 85 183.102 222.688 219.759 1.00 40.57 N +ATOM 9558 CA THR B 85 182.174 222.271 220.801 1.00 38.25 C +ATOM 9559 C THR B 85 180.769 222.781 220.470 1.00 49.68 C +ATOM 9560 O THR B 85 180.626 223.811 219.819 1.00 49.54 O +ATOM 9561 CB THR B 85 182.630 222.780 222.194 1.00 48.43 C +ATOM 9562 OG1 THR B 85 181.961 222.043 223.223 1.00 86.12 O +ATOM 9563 CG2 THR B 85 182.345 224.265 222.371 1.00 49.97 C +ATOM 9564 H THR B 85 183.644 223.312 219.997 1.00 48.69 H +ATOM 9565 HA THR B 85 182.143 221.302 220.830 1.00 45.91 H +ATOM 9566 HB THR B 85 183.586 222.646 222.282 1.00 58.12 H +ATOM 9567 HG1 THR B 85 181.130 222.142 223.153 1.00103.35 H +ATOM 9568 HG21 THR B 85 182.639 224.557 223.248 1.00 59.97 H +ATOM 9569 HG22 THR B 85 182.817 224.776 221.694 1.00 59.97 H +ATOM 9570 HG23 THR B 85 181.394 224.433 222.285 1.00 59.97 H +ATOM 9571 N PRO B 86 179.721 222.053 220.897 1.00 55.28 N +ATOM 9572 CA PRO B 86 178.356 222.508 220.598 1.00 54.25 C +ATOM 9573 C PRO B 86 178.045 223.920 221.099 1.00 37.58 C +ATOM 9574 O PRO B 86 177.270 224.630 220.462 1.00 35.40 O +ATOM 9575 CB PRO B 86 177.484 221.473 221.312 1.00 44.37 C +ATOM 9576 CG PRO B 86 178.317 220.245 221.335 1.00 51.31 C +ATOM 9577 CD PRO B 86 179.726 220.715 221.518 1.00 48.64 C +ATOM 9578 HA PRO B 86 178.189 222.463 219.643 1.00 65.10 H +ATOM 9579 HB2 PRO B 86 177.287 221.774 222.213 1.00 53.24 H +ATOM 9580 HB3 PRO B 86 176.667 221.328 220.809 1.00 53.24 H +ATOM 9581 HG2 PRO B 86 178.046 219.682 222.076 1.00 61.58 H +ATOM 9582 HG3 PRO B 86 178.222 219.772 220.493 1.00 61.58 H +ATOM 9583 HD2 PRO B 86 179.940 220.781 222.462 1.00 58.36 H +ATOM 9584 HD3 PRO B 86 180.342 220.128 221.053 1.00 58.36 H +ATOM 9585 N ASN B 87 178.637 224.324 222.216 1.00 42.53 N +ATOM 9586 CA ASN B 87 178.432 225.673 222.728 1.00 49.66 C +ATOM 9587 C ASN B 87 179.050 226.729 221.813 1.00 44.64 C +ATOM 9588 O ASN B 87 178.607 227.877 221.794 1.00 43.50 O +ATOM 9589 CB ASN B 87 179.009 225.807 224.138 1.00 41.96 C +ATOM 9590 CG ASN B 87 178.193 225.058 225.181 1.00 50.10 C +ATOM 9591 OD1 ASN B 87 177.011 224.771 224.980 1.00 46.33 O +ATOM 9592 ND2 ASN B 87 178.823 224.747 226.307 1.00 61.45 N +ATOM 9593 H ASN B 87 179.161 223.838 222.695 1.00 51.04 H +ATOM 9594 HA ASN B 87 177.479 225.847 222.780 1.00 59.60 H +ATOM 9595 HB2 ASN B 87 179.910 225.447 224.147 1.00 50.36 H +ATOM 9596 HB3 ASN B 87 179.024 226.745 224.386 1.00 50.36 H +ATOM 9597 HD21 ASN B 87 178.407 224.323 226.929 1.00 73.74 H +ATOM 9598 HD22 ASN B 87 179.647 224.968 226.415 1.00 73.74 H +ATOM 9599 N THR B 88 180.069 226.331 221.058 1.00 44.07 N +ATOM 9600 CA THR B 88 180.723 227.221 220.104 1.00 46.42 C +ATOM 9601 C THR B 88 179.849 227.353 218.870 1.00 42.23 C +ATOM 9602 O THR B 88 179.610 228.456 218.380 1.00 48.00 O +ATOM 9603 CB THR B 88 182.130 226.700 219.713 1.00 43.24 C +ATOM 9604 OG1 THR B 88 183.055 227.007 220.761 1.00 45.07 O +ATOM 9605 CG2 THR B 88 182.632 227.335 218.415 1.00 36.23 C +ATOM 9606 H THR B 88 180.405 225.539 221.080 1.00 52.89 H +ATOM 9607 HA THR B 88 180.823 228.099 220.503 1.00 55.70 H +ATOM 9608 HB THR B 88 182.093 225.739 219.588 1.00 51.88 H +ATOM 9609 HG1 THR B 88 183.821 226.729 220.558 1.00 54.08 H +ATOM 9610 HG21 THR B 88 183.512 226.990 218.197 1.00 43.47 H +ATOM 9611 HG22 THR B 88 182.024 227.129 217.688 1.00 43.47 H +ATOM 9612 HG23 THR B 88 182.687 228.298 218.517 1.00 43.47 H +ATOM 9613 N VAL B 89 179.377 226.214 218.373 1.00 41.55 N +ATOM 9614 CA VAL B 89 178.468 226.185 217.236 1.00 38.85 C +ATOM 9615 C VAL B 89 177.214 226.991 217.550 1.00 42.49 C +ATOM 9616 O VAL B 89 176.712 227.729 216.704 1.00 45.55 O +ATOM 9617 CB VAL B 89 178.078 224.740 216.865 1.00 37.01 C +ATOM 9618 CG1 VAL B 89 177.074 224.722 215.726 1.00 32.52 C +ATOM 9619 CG2 VAL B 89 179.316 223.943 216.490 1.00 39.42 C +ATOM 9620 H VAL B 89 179.571 225.436 218.682 1.00 49.86 H +ATOM 9621 HA VAL B 89 178.903 226.589 216.468 1.00 46.61 H +ATOM 9622 HB VAL B 89 177.669 224.314 217.634 1.00 44.42 H +ATOM 9623 HG11 VAL B 89 176.850 223.801 215.517 1.00 39.02 H +ATOM 9624 HG12 VAL B 89 176.277 225.202 216.000 1.00 39.02 H +ATOM 9625 HG13 VAL B 89 177.468 225.150 214.950 1.00 39.02 H +ATOM 9626 HG21 VAL B 89 179.051 223.039 216.260 1.00 47.31 H +ATOM 9627 HG22 VAL B 89 179.744 224.366 215.729 1.00 47.31 H +ATOM 9628 HG23 VAL B 89 179.923 223.928 217.246 1.00 47.31 H +ATOM 9629 N HIS B 90 176.717 226.843 218.773 1.00 37.52 N +ATOM 9630 CA HIS B 90 175.533 227.570 219.218 1.00 46.13 C +ATOM 9631 C HIS B 90 175.783 229.072 219.229 1.00 45.50 C +ATOM 9632 O HIS B 90 174.936 229.850 218.793 1.00 37.90 O +ATOM 9633 CB HIS B 90 175.107 227.104 220.610 1.00 54.00 C +ATOM 9634 CG HIS B 90 173.947 227.867 221.172 1.00 48.15 C +ATOM 9635 ND1 HIS B 90 172.637 227.499 220.950 1.00 41.46 N +ATOM 9636 CD2 HIS B 90 173.900 228.981 221.940 1.00 44.32 C +ATOM 9637 CE1 HIS B 90 171.834 228.351 221.560 1.00 48.37 C +ATOM 9638 NE2 HIS B 90 172.575 229.260 222.168 1.00 38.37 N +ATOM 9639 H HIS B 90 177.050 226.322 219.371 1.00 45.02 H +ATOM 9640 HA HIS B 90 174.803 227.391 218.604 1.00 55.36 H +ATOM 9641 HB2 HIS B 90 174.853 226.169 220.563 1.00 64.80 H +ATOM 9642 HB3 HIS B 90 175.855 227.212 221.218 1.00 64.80 H +ATOM 9643 HD1 HIS B 90 172.383 226.819 220.488 1.00 49.75 H +ATOM 9644 HD2 HIS B 90 174.628 229.465 222.255 1.00 53.18 H +ATOM 9645 HE1 HIS B 90 170.905 228.317 221.562 1.00 58.05 H +ATOM 9646 N TYR B 91 176.946 229.475 219.733 1.00 44.31 N +ATOM 9647 CA TYR B 91 177.317 230.883 219.764 1.00 45.21 C +ATOM 9648 C TYR B 91 177.306 231.464 218.359 1.00 41.57 C +ATOM 9649 O TYR B 91 176.744 232.531 218.119 1.00 42.04 O +ATOM 9650 CB TYR B 91 178.703 231.070 220.386 1.00 44.59 C +ATOM 9651 CG TYR B 91 179.129 232.519 220.469 1.00 47.68 C +ATOM 9652 CD1 TYR B 91 179.773 233.139 219.405 1.00 44.35 C +ATOM 9653 CD2 TYR B 91 178.881 233.268 221.609 1.00 53.38 C +ATOM 9654 CE1 TYR B 91 180.159 234.463 219.478 1.00 43.00 C +ATOM 9655 CE2 TYR B 91 179.264 234.591 221.690 1.00 53.77 C +ATOM 9656 CZ TYR B 91 179.901 235.183 220.623 1.00 48.43 C +ATOM 9657 OH TYR B 91 180.279 236.502 220.707 1.00 55.71 O +ATOM 9658 H TYR B 91 177.540 228.948 220.065 1.00 53.17 H +ATOM 9659 HA TYR B 91 176.674 231.372 220.301 1.00 54.25 H +ATOM 9660 HB2 TYR B 91 178.694 230.710 221.287 1.00 53.51 H +ATOM 9661 HB3 TYR B 91 179.356 230.597 219.847 1.00 53.51 H +ATOM 9662 HD1 TYR B 91 179.947 232.654 218.631 1.00 53.22 H +ATOM 9663 HD2 TYR B 91 178.450 232.872 222.332 1.00 64.06 H +ATOM 9664 HE1 TYR B 91 180.589 234.865 218.759 1.00 51.60 H +ATOM 9665 HE2 TYR B 91 179.091 235.081 222.462 1.00 64.53 H +ATOM 9666 HH TYR B 91 180.061 236.816 221.455 1.00 66.85 H +ATOM 9667 N ILE B 92 177.936 230.748 217.437 1.00 38.96 N +ATOM 9668 CA ILE B 92 178.079 231.200 216.061 1.00 45.83 C +ATOM 9669 C ILE B 92 176.728 231.296 215.356 1.00 43.39 C +ATOM 9670 O ILE B 92 176.484 232.232 214.596 1.00 40.42 O +ATOM 9671 CB ILE B 92 179.022 230.259 215.283 1.00 41.42 C +ATOM 9672 CG1 ILE B 92 180.455 230.441 215.792 1.00 43.53 C +ATOM 9673 CG2 ILE B 92 178.969 230.530 213.781 1.00 41.26 C +ATOM 9674 CD1 ILE B 92 181.358 229.260 215.546 1.00 39.22 C +ATOM 9675 H ILE B 92 178.296 229.981 217.588 1.00 46.75 H +ATOM 9676 HA ILE B 92 178.477 232.085 216.062 1.00 54.99 H +ATOM 9677 HB ILE B 92 178.749 229.342 215.444 1.00 49.71 H +ATOM 9678 HG12 ILE B 92 180.846 231.209 215.348 1.00 52.23 H +ATOM 9679 HG13 ILE B 92 180.427 230.597 216.749 1.00 52.23 H +ATOM 9680 HG21 ILE B 92 179.573 229.921 213.329 1.00 49.51 H +ATOM 9681 HG22 ILE B 92 178.062 230.391 213.467 1.00 49.51 H +ATOM 9682 HG23 ILE B 92 179.240 231.447 213.616 1.00 49.51 H +ATOM 9683 HD11 ILE B 92 182.240 229.459 215.898 1.00 47.07 H +ATOM 9684 HD12 ILE B 92 180.991 228.482 215.995 1.00 47.07 H +ATOM 9685 HD13 ILE B 92 181.411 229.096 214.592 1.00 47.07 H +ATOM 9686 N LEU B 93 175.854 230.330 215.616 1.00 41.80 N +ATOM 9687 CA LEU B 93 174.536 230.302 214.988 1.00 37.25 C +ATOM 9688 C LEU B 93 173.597 231.364 215.557 1.00 40.68 C +ATOM 9689 O LEU B 93 172.619 231.736 214.911 1.00 34.58 O +ATOM 9690 CB LEU B 93 173.906 228.918 215.149 1.00 38.02 C +ATOM 9691 CG LEU B 93 174.368 227.862 214.145 1.00 42.26 C +ATOM 9692 CD1 LEU B 93 174.113 226.472 214.683 1.00 40.88 C +ATOM 9693 CD2 LEU B 93 173.661 228.054 212.814 1.00 42.01 C +ATOM 9694 H LEU B 93 175.999 229.676 216.155 1.00 50.16 H +ATOM 9695 HA LEU B 93 174.639 230.473 214.039 1.00 44.70 H +ATOM 9696 HB2 LEU B 93 174.116 228.587 216.036 1.00 45.63 H +ATOM 9697 HB3 LEU B 93 172.945 229.006 215.056 1.00 45.63 H +ATOM 9698 HG LEU B 93 175.322 227.959 213.997 1.00 50.71 H +ATOM 9699 HD11 LEU B 93 174.413 225.820 214.030 1.00 49.05 H +ATOM 9700 HD12 LEU B 93 174.603 226.360 215.513 1.00 49.05 H +ATOM 9701 HD13 LEU B 93 173.162 226.365 214.844 1.00 49.05 H +ATOM 9702 HD21 LEU B 93 173.969 227.376 212.193 1.00 50.41 H +ATOM 9703 HD22 LEU B 93 172.704 227.970 212.950 1.00 50.41 H +ATOM 9704 HD23 LEU B 93 173.870 228.937 212.470 1.00 50.41 H +ATOM 9705 N THR B 94 173.900 231.855 216.756 1.00 39.59 N +ATOM 9706 CA THR B 94 173.039 232.824 217.434 1.00 36.57 C +ATOM 9707 C THR B 94 173.650 234.226 217.475 1.00 39.50 C +ATOM 9708 O THR B 94 173.108 235.123 218.118 1.00 38.18 O +ATOM 9709 CB THR B 94 172.725 232.381 218.872 1.00 34.92 C +ATOM 9710 OG1 THR B 94 173.936 232.320 219.638 1.00 37.68 O +ATOM 9711 CG2 THR B 94 172.046 231.016 218.873 1.00 37.61 C +ATOM 9712 H THR B 94 174.603 231.641 217.203 1.00 47.51 H +ATOM 9713 HA THR B 94 172.199 232.883 216.953 1.00 43.88 H +ATOM 9714 HB THR B 94 172.121 233.021 219.279 1.00 41.90 H +ATOM 9715 HG1 THR B 94 174.468 231.770 219.291 1.00 45.21 H +ATOM 9716 HG21 THR B 94 171.851 230.743 219.783 1.00 45.14 H +ATOM 9717 HG22 THR B 94 171.216 231.059 218.373 1.00 45.14 H +ATOM 9718 HG23 THR B 94 172.627 230.356 218.464 1.00 45.14 H +ATOM 9719 N HIS B 95 174.778 234.408 216.794 1.00 43.84 N +ATOM 9720 CA HIS B 95 175.393 235.725 216.641 1.00 42.71 C +ATOM 9721 C HIS B 95 175.649 236.006 215.165 1.00 42.99 C +ATOM 9722 O HIS B 95 175.344 235.178 214.309 1.00 39.36 O +ATOM 9723 CB HIS B 95 176.702 235.816 217.429 1.00 39.54 C +ATOM 9724 CG HIS B 95 176.519 235.820 218.915 1.00 43.02 C +ATOM 9725 ND1 HIS B 95 176.052 234.728 219.614 1.00 52.72 N +ATOM 9726 CD2 HIS B 95 176.747 236.786 219.836 1.00 47.35 C +ATOM 9727 CE1 HIS B 95 175.997 235.022 220.901 1.00 54.35 C +ATOM 9728 NE2 HIS B 95 176.413 236.264 221.063 1.00 49.86 N +ATOM 9729 H HIS B 95 175.212 233.776 216.405 1.00 52.61 H +ATOM 9730 HA HIS B 95 174.787 236.403 216.979 1.00 51.25 H +ATOM 9731 HB2 HIS B 95 177.257 235.053 217.202 1.00 47.45 H +ATOM 9732 HB3 HIS B 95 177.157 236.637 217.185 1.00 47.45 H +ATOM 9733 HD1 HIS B 95 175.829 233.973 219.266 1.00 63.26 H +ATOM 9734 HD2 HIS B 95 177.067 237.642 219.670 1.00 56.83 H +ATOM 9735 HE1 HIS B 95 175.713 234.450 221.578 1.00 65.22 H +ATOM 9736 N PHE B 96 176.202 237.179 214.876 1.00 41.52 N +ATOM 9737 CA PHE B 96 176.593 237.539 213.516 1.00 38.52 C +ATOM 9738 C PHE B 96 175.396 237.517 212.567 1.00 40.21 C +ATOM 9739 O PHE B 96 175.423 236.869 211.520 1.00 37.95 O +ATOM 9740 CB PHE B 96 177.690 236.595 213.023 1.00 37.26 C +ATOM 9741 CG PHE B 96 178.756 236.333 214.047 1.00 40.54 C +ATOM 9742 CD1 PHE B 96 179.577 237.356 214.487 1.00 42.17 C +ATOM 9743 CD2 PHE B 96 178.931 235.067 214.576 1.00 44.22 C +ATOM 9744 CE1 PHE B 96 180.554 237.119 215.432 1.00 51.31 C +ATOM 9745 CE2 PHE B 96 179.909 234.826 215.522 1.00 46.45 C +ATOM 9746 CZ PHE B 96 180.720 235.853 215.949 1.00 45.97 C +ATOM 9747 H PHE B 96 176.364 237.791 215.457 1.00 49.82 H +ATOM 9748 HA PHE B 96 176.954 238.440 213.520 1.00 46.22 H +ATOM 9749 HB2 PHE B 96 177.288 235.744 212.787 1.00 44.72 H +ATOM 9750 HB3 PHE B 96 178.115 236.987 212.244 1.00 44.72 H +ATOM 9751 HD1 PHE B 96 179.469 238.213 214.142 1.00 50.60 H +ATOM 9752 HD2 PHE B 96 178.386 234.370 214.291 1.00 53.07 H +ATOM 9753 HE1 PHE B 96 181.101 237.814 215.719 1.00 61.57 H +ATOM 9754 HE2 PHE B 96 180.019 233.970 215.870 1.00 55.74 H +ATOM 9755 HZ PHE B 96 181.379 235.693 216.585 1.00 55.16 H +ATOM 9756 N LYS B 97 174.350 238.239 212.951 1.00 40.00 N +ATOM 9757 CA LYS B 97 173.102 238.287 212.199 1.00 41.58 C +ATOM 9758 C LYS B 97 173.310 238.712 210.746 1.00 52.07 C +ATOM 9759 O LYS B 97 172.723 238.134 209.831 1.00 46.40 O +ATOM 9760 CB LYS B 97 172.131 239.252 212.877 1.00 54.69 C +ATOM 9761 CG LYS B 97 170.666 238.880 212.749 1.00 70.50 C +ATOM 9762 CD LYS B 97 169.770 240.109 212.810 1.00 86.76 C +ATOM 9763 CE LYS B 97 170.100 241.028 213.990 1.00 99.65 C +ATOM 9764 NZ LYS B 97 169.354 242.309 213.905 1.00106.51 N +ATOM 9765 H LYS B 97 174.339 238.722 213.663 1.00 48.00 H +ATOM 9766 HA LYS B 97 172.699 237.405 212.199 1.00 49.90 H +ATOM 9767 HB2 LYS B 97 172.342 239.288 213.823 1.00 65.63 H +ATOM 9768 HB3 LYS B 97 172.245 240.132 212.485 1.00 65.63 H +ATOM 9769 HG2 LYS B 97 170.521 238.440 211.897 1.00 84.60 H +ATOM 9770 HG3 LYS B 97 170.421 238.289 213.478 1.00 84.60 H +ATOM 9771 HD2 LYS B 97 169.878 240.620 211.993 1.00104.11 H +ATOM 9772 HD3 LYS B 97 168.848 239.822 212.903 1.00104.11 H +ATOM 9773 HE2 LYS B 97 169.854 240.587 214.819 1.00119.58 H +ATOM 9774 HE3 LYS B 97 171.049 241.227 213.985 1.00119.58 H +ATOM 9775 HZ1 LYS B 97 169.560 242.827 214.599 1.00127.81 H +ATOM 9776 HZ2 LYS B 97 169.566 242.735 213.153 1.00127.81 H +ATOM 9777 HZ3 LYS B 97 168.478 242.152 213.912 1.00127.81 H +ATOM 9778 N GLY B 98 174.138 239.733 210.544 1.00 51.08 N +ATOM 9779 CA GLY B 98 174.394 240.259 209.214 1.00 42.45 C +ATOM 9780 C GLY B 98 174.999 239.219 208.294 1.00 47.84 C +ATOM 9781 O GLY B 98 174.685 239.165 207.105 1.00 48.47 O +ATOM 9782 H GLY B 98 174.566 240.140 211.169 1.00 61.29 H +ATOM 9783 HA2 GLY B 98 173.563 240.570 208.823 1.00 50.94 H +ATOM 9784 HA3 GLY B 98 175.006 241.010 209.276 1.00 50.94 H +ATOM 9785 N PHE B 99 175.874 238.390 208.852 1.00 40.36 N +ATOM 9786 CA PHE B 99 176.505 237.313 208.102 1.00 45.45 C +ATOM 9787 C PHE B 99 175.475 236.273 207.666 1.00 46.38 C +ATOM 9788 O PHE B 99 175.488 235.815 206.524 1.00 47.12 O +ATOM 9789 CB PHE B 99 177.604 236.662 208.947 1.00 41.66 C +ATOM 9790 CG PHE B 99 178.056 235.324 208.439 1.00 40.20 C +ATOM 9791 CD1 PHE B 99 178.858 235.227 207.316 1.00 41.60 C +ATOM 9792 CD2 PHE B 99 177.692 234.164 209.098 1.00 45.42 C +ATOM 9793 CE1 PHE B 99 179.277 233.995 206.854 1.00 42.00 C +ATOM 9794 CE2 PHE B 99 178.109 232.931 208.640 1.00 39.05 C +ATOM 9795 CZ PHE B 99 178.903 232.848 207.517 1.00 44.43 C +ATOM 9796 H PHE B 99 176.121 238.431 209.675 1.00 48.44 H +ATOM 9797 HA PHE B 99 176.917 237.681 207.305 1.00 54.54 H +ATOM 9798 HB2 PHE B 99 178.376 237.249 208.960 1.00 49.99 H +ATOM 9799 HB3 PHE B 99 177.271 236.538 209.849 1.00 49.99 H +ATOM 9800 HD1 PHE B 99 179.112 235.999 206.864 1.00 49.92 H +ATOM 9801 HD2 PHE B 99 177.156 234.214 209.856 1.00 54.50 H +ATOM 9802 HE1 PHE B 99 179.813 233.941 206.096 1.00 50.40 H +ATOM 9803 HE2 PHE B 99 177.856 232.158 209.089 1.00 46.86 H +ATOM 9804 HZ PHE B 99 179.185 232.018 207.207 1.00 53.32 H +ATOM 9805 N TRP B 100 174.574 235.915 208.573 1.00 45.41 N +ATOM 9806 CA TRP B 100 173.563 234.907 208.277 1.00 45.51 C +ATOM 9807 C TRP B 100 172.511 235.422 207.298 1.00 42.80 C +ATOM 9808 O TRP B 100 171.946 234.645 206.532 1.00 37.77 O +ATOM 9809 CB TRP B 100 172.894 234.433 209.567 1.00 45.10 C +ATOM 9810 CG TRP B 100 173.805 233.607 210.422 1.00 36.32 C +ATOM 9811 CD1 TRP B 100 174.282 233.925 211.658 1.00 38.18 C +ATOM 9812 CD2 TRP B 100 174.363 232.331 210.093 1.00 27.69 C +ATOM 9813 NE1 TRP B 100 175.096 232.922 212.124 1.00 38.23 N +ATOM 9814 CE2 TRP B 100 175.162 231.931 211.180 1.00 34.78 C +ATOM 9815 CE3 TRP B 100 174.260 231.485 208.985 1.00 35.94 C +ATOM 9816 CZ2 TRP B 100 175.856 230.722 211.193 1.00 37.03 C +ATOM 9817 CZ3 TRP B 100 174.947 230.285 209.000 1.00 34.37 C +ATOM 9818 CH2 TRP B 100 175.735 229.916 210.095 1.00 31.27 C +ATOM 9819 H TRP B 100 174.526 236.240 209.368 1.00 54.49 H +ATOM 9820 HA TRP B 100 173.996 234.141 207.870 1.00 54.61 H +ATOM 9821 HB2 TRP B 100 172.619 235.207 210.083 1.00 54.12 H +ATOM 9822 HB3 TRP B 100 172.121 233.892 209.342 1.00 54.12 H +ATOM 9823 HD1 TRP B 100 174.082 234.707 212.120 1.00 45.81 H +ATOM 9824 HE1 TRP B 100 175.499 232.917 212.883 1.00 45.87 H +ATOM 9825 HE3 TRP B 100 173.738 231.723 208.254 1.00 43.12 H +ATOM 9826 HZ2 TRP B 100 176.379 230.473 211.920 1.00 44.44 H +ATOM 9827 HZ3 TRP B 100 174.886 229.715 208.268 1.00 41.24 H +ATOM 9828 HH2 TRP B 100 176.186 229.103 210.077 1.00 37.53 H +ATOM 9829 N ASN B 101 172.253 236.726 207.320 1.00 47.89 N +ATOM 9830 CA ASN B 101 171.351 237.337 206.349 1.00 48.39 C +ATOM 9831 C ASN B 101 171.839 237.094 204.929 1.00 48.69 C +ATOM 9832 O ASN B 101 171.040 236.910 204.011 1.00 58.02 O +ATOM 9833 CB ASN B 101 171.215 238.840 206.599 1.00 54.56 C +ATOM 9834 CG ASN B 101 170.279 239.163 207.752 1.00 66.75 C +ATOM 9835 OD1 ASN B 101 169.324 238.432 208.018 1.00 69.68 O +ATOM 9836 ND2 ASN B 101 170.546 240.270 208.436 1.00 67.24 N +ATOM 9837 H ASN B 101 172.588 237.280 207.887 1.00 57.47 H +ATOM 9838 HA ASN B 101 170.472 236.936 206.438 1.00 58.07 H +ATOM 9839 HB2 ASN B 101 172.088 239.205 206.811 1.00 65.47 H +ATOM 9840 HB3 ASN B 101 170.864 239.263 205.800 1.00 65.47 H +ATOM 9841 HD21 ASN B 101 170.046 240.497 209.098 1.00 80.69 H +ATOM 9842 HD22 ASN B 101 171.219 240.759 208.218 1.00 80.69 H +ATOM 9843 N VAL B 102 173.156 237.091 204.756 1.00 46.09 N +ATOM 9844 CA VAL B 102 173.755 236.833 203.453 1.00 49.88 C +ATOM 9845 C VAL B 102 173.691 235.346 203.130 1.00 47.64 C +ATOM 9846 O VAL B 102 173.224 234.965 202.058 1.00 48.54 O +ATOM 9847 CB VAL B 102 175.217 237.318 203.397 1.00 51.74 C +ATOM 9848 CG1 VAL B 102 175.886 236.894 202.088 1.00 54.71 C +ATOM 9849 CG2 VAL B 102 175.271 238.829 203.556 1.00 53.03 C +ATOM 9850 H VAL B 102 173.728 237.236 205.381 1.00 55.31 H +ATOM 9851 HA VAL B 102 173.253 237.311 202.774 1.00 59.85 H +ATOM 9852 HB VAL B 102 175.711 236.920 204.131 1.00 62.09 H +ATOM 9853 HG11 VAL B 102 176.802 237.213 202.085 1.00 65.65 H +ATOM 9854 HG12 VAL B 102 175.873 235.926 202.027 1.00 65.65 H +ATOM 9855 HG13 VAL B 102 175.398 237.280 201.345 1.00 65.65 H +ATOM 9856 HG21 VAL B 102 176.196 239.117 203.518 1.00 63.63 H +ATOM 9857 HG22 VAL B 102 174.766 239.240 202.836 1.00 63.63 H +ATOM 9858 HG23 VAL B 102 174.883 239.070 204.412 1.00 63.63 H +ATOM 9859 N VAL B 103 174.167 234.517 204.055 1.00 52.24 N +ATOM 9860 CA VAL B 103 174.110 233.065 203.897 1.00 56.06 C +ATOM 9861 C VAL B 103 172.690 232.619 203.571 1.00 50.45 C +ATOM 9862 O VAL B 103 172.479 231.793 202.684 1.00 42.41 O +ATOM 9863 CB VAL B 103 174.589 232.331 205.172 1.00 45.67 C +ATOM 9864 CG1 VAL B 103 174.372 230.819 205.052 1.00 47.67 C +ATOM 9865 CG2 VAL B 103 176.051 232.632 205.439 1.00 46.47 C +ATOM 9866 H VAL B 103 174.532 234.772 204.790 1.00 62.69 H +ATOM 9867 HA VAL B 103 174.686 232.802 203.162 1.00 67.28 H +ATOM 9868 HB VAL B 103 174.074 232.648 205.931 1.00 54.80 H +ATOM 9869 HG11 VAL B 103 174.682 230.390 205.865 1.00 57.20 H +ATOM 9870 HG12 VAL B 103 173.426 230.645 204.926 1.00 57.20 H +ATOM 9871 HG13 VAL B 103 174.874 230.488 204.291 1.00 57.20 H +ATOM 9872 HG21 VAL B 103 176.328 232.162 206.241 1.00 55.76 H +ATOM 9873 HG22 VAL B 103 176.578 232.333 204.682 1.00 55.76 H +ATOM 9874 HG23 VAL B 103 176.158 233.588 205.562 1.00 55.76 H +ATOM 9875 N ASN B 104 171.725 233.174 204.295 1.00 42.69 N +ATOM 9876 CA ASN B 104 170.324 232.805 204.127 1.00 48.36 C +ATOM 9877 C ASN B 104 169.813 233.064 202.714 1.00 49.10 C +ATOM 9878 O ASN B 104 168.911 232.375 202.241 1.00 47.52 O +ATOM 9879 CB ASN B 104 169.452 233.562 205.133 1.00 38.97 C +ATOM 9880 CG ASN B 104 169.553 232.996 206.538 1.00 38.00 C +ATOM 9881 OD1 ASN B 104 169.951 231.848 206.731 1.00 38.41 O +ATOM 9882 ND2 ASN B 104 169.189 233.803 207.527 1.00 36.63 N +ATOM 9883 H ASN B 104 171.857 233.774 204.897 1.00 51.23 H +ATOM 9884 HA ASN B 104 170.229 231.856 204.307 1.00 58.03 H +ATOM 9885 HB2 ASN B 104 169.735 234.489 205.162 1.00 46.76 H +ATOM 9886 HB3 ASN B 104 168.525 233.506 204.853 1.00 46.76 H +ATOM 9887 HD21 ASN B 104 169.228 233.529 208.342 1.00 43.95 H +ATOM 9888 HD22 ASN B 104 168.914 234.599 207.354 1.00 43.95 H +ATOM 9889 N ASN B 105 170.396 234.054 202.045 1.00 52.48 N +ATOM 9890 CA ASN B 105 169.969 234.435 200.701 1.00 47.14 C +ATOM 9891 C ASN B 105 170.843 233.825 199.608 1.00 49.78 C +ATOM 9892 O ASN B 105 170.697 234.159 198.434 1.00 53.28 O +ATOM 9893 CB ASN B 105 169.954 235.958 200.568 1.00 50.41 C +ATOM 9894 CG ASN B 105 168.797 236.596 201.308 1.00 47.68 C +ATOM 9895 OD1 ASN B 105 167.697 236.047 201.354 1.00 49.61 O +ATOM 9896 ND2 ASN B 105 169.038 237.760 201.893 1.00 56.19 N +ATOM 9897 H ASN B 105 171.048 234.526 202.350 1.00 62.98 H +ATOM 9898 HA ASN B 105 169.062 234.118 200.563 1.00 56.57 H +ATOM 9899 HB2 ASN B 105 170.778 236.316 200.934 1.00 60.50 H +ATOM 9900 HB3 ASN B 105 169.877 236.193 199.630 1.00 60.50 H +ATOM 9901 HD21 ASN B 105 168.413 238.162 202.326 1.00 67.43 H +ATOM 9902 HD22 ASN B 105 169.820 238.114 201.841 1.00 67.43 H +ATOM 9903 N ILE B 105A 171.748 232.934 200.002 1.00 51.27 N +ATOM 9904 CA ILE B 105A 172.535 232.148 199.057 1.00 45.59 C +ATOM 9905 C ILE B 105A 172.032 230.705 199.125 1.00 46.07 C +ATOM 9906 O ILE B 105A 172.491 229.935 199.963 1.00 48.42 O +ATOM 9907 CB ILE B 105A 174.039 232.203 199.368 1.00 48.70 C +ATOM 9908 CG1 ILE B 105A 174.533 233.650 199.310 1.00 48.27 C +ATOM 9909 CG2 ILE B 105A 174.818 231.347 198.373 1.00 41.06 C +ATOM 9910 CD1 ILE B 105A 175.949 233.848 199.814 1.00 41.19 C +ATOM 9911 H ILE B 105A 171.929 232.765 200.825 1.00 61.53 H +ATOM 9912 HA ILE B 105A 172.392 232.482 198.158 1.00 54.71 H +ATOM 9913 HB ILE B 105A 174.187 231.857 200.262 1.00 58.44 H +ATOM 9914 HG12 ILE B 105A 174.503 233.952 198.389 1.00 57.92 H +ATOM 9915 HG13 ILE B 105A 173.947 234.200 199.854 1.00 57.92 H +ATOM 9916 HG21 ILE B 105A 175.763 231.396 198.587 1.00 49.27 H +ATOM 9917 HG22 ILE B 105A 174.511 230.429 198.439 1.00 49.27 H +ATOM 9918 HG23 ILE B 105A 174.663 231.685 197.477 1.00 49.27 H +ATOM 9919 HD11 ILE B 105A 176.180 234.788 199.743 1.00 49.43 H +ATOM 9920 HD12 ILE B 105A 175.996 233.565 200.740 1.00 49.43 H +ATOM 9921 HD13 ILE B 105A 176.553 233.316 199.273 1.00 49.43 H +ATOM 9922 N PRO B 106 171.076 230.339 198.250 1.00 49.99 N +ATOM 9923 CA PRO B 106 170.408 229.032 198.344 1.00 51.65 C +ATOM 9924 C PRO B 106 171.384 227.863 198.396 1.00 44.72 C +ATOM 9925 O PRO B 106 171.188 226.930 199.174 1.00 47.99 O +ATOM 9926 CB PRO B 106 169.568 228.974 197.064 1.00 38.35 C +ATOM 9927 CG PRO B 106 169.372 230.387 196.670 1.00 41.95 C +ATOM 9928 CD PRO B 106 170.612 231.102 197.077 1.00 48.24 C +ATOM 9929 HA PRO B 106 169.824 229.003 199.118 1.00 61.98 H +ATOM 9930 HB2 PRO B 106 170.051 228.489 196.377 1.00 46.02 H +ATOM 9931 HB3 PRO B 106 168.716 228.549 197.251 1.00 46.02 H +ATOM 9932 HG2 PRO B 106 169.247 230.441 195.709 1.00 50.34 H +ATOM 9933 HG3 PRO B 106 168.601 230.749 197.134 1.00 50.34 H +ATOM 9934 HD2 PRO B 106 171.272 231.065 196.367 1.00 57.88 H +ATOM 9935 HD3 PRO B 106 170.408 232.016 197.327 1.00 57.88 H +ATOM 9936 N PHE B 107 172.423 227.923 197.572 1.00 50.48 N +ATOM 9937 CA PHE B 107 173.419 226.864 197.518 1.00 52.04 C +ATOM 9938 C PHE B 107 174.045 226.613 198.884 1.00 47.71 C +ATOM 9939 O PHE B 107 174.226 225.466 199.289 1.00 44.86 O +ATOM 9940 CB PHE B 107 174.506 227.211 196.503 1.00 60.03 C +ATOM 9941 CG PHE B 107 175.725 226.347 196.609 1.00 66.11 C +ATOM 9942 CD1 PHE B 107 175.741 225.079 196.054 1.00 69.61 C +ATOM 9943 CD2 PHE B 107 176.855 226.800 197.268 1.00 67.18 C +ATOM 9944 CE1 PHE B 107 176.862 224.279 196.154 1.00 69.67 C +ATOM 9945 CE2 PHE B 107 177.979 226.006 197.371 1.00 70.26 C +ATOM 9946 CZ PHE B 107 177.982 224.744 196.813 1.00 71.85 C +ATOM 9947 H PHE B 107 172.574 228.574 197.031 1.00 60.57 H +ATOM 9948 HA PHE B 107 172.990 226.043 197.229 1.00 62.45 H +ATOM 9949 HB2 PHE B 107 174.145 227.107 195.609 1.00 72.03 H +ATOM 9950 HB3 PHE B 107 174.782 228.131 196.641 1.00 72.03 H +ATOM 9951 HD1 PHE B 107 174.988 224.762 195.610 1.00 83.53 H +ATOM 9952 HD2 PHE B 107 176.857 227.650 197.646 1.00 80.61 H +ATOM 9953 HE1 PHE B 107 176.863 223.429 195.777 1.00 83.60 H +ATOM 9954 HE2 PHE B 107 178.732 226.321 197.815 1.00 84.31 H +ATOM 9955 HZ PHE B 107 178.739 224.207 196.881 1.00 86.21 H +ATOM 9956 N LEU B 108 174.378 227.691 199.587 1.00 46.91 N +ATOM 9957 CA LEU B 108 174.979 227.588 200.913 1.00 49.18 C +ATOM 9958 C LEU B 108 173.963 227.148 201.954 1.00 48.16 C +ATOM 9959 O LEU B 108 174.210 226.219 202.723 1.00 46.41 O +ATOM 9960 CB LEU B 108 175.590 228.925 201.331 1.00 52.78 C +ATOM 9961 CG LEU B 108 177.054 229.158 200.961 1.00 66.54 C +ATOM 9962 CD1 LEU B 108 177.442 230.589 201.285 1.00 70.38 C +ATOM 9963 CD2 LEU B 108 177.962 228.179 201.696 1.00 50.99 C +ATOM 9964 H LEU B 108 174.265 228.499 199.316 1.00 56.29 H +ATOM 9965 HA LEU B 108 175.689 226.927 200.888 1.00 59.02 H +ATOM 9966 HB2 LEU B 108 175.074 229.635 200.919 1.00 63.34 H +ATOM 9967 HB3 LEU B 108 175.523 228.999 202.296 1.00 63.34 H +ATOM 9968 HG LEU B 108 177.169 229.021 200.008 1.00 79.85 H +ATOM 9969 HD11 LEU B 108 178.372 230.725 201.046 1.00 84.46 H +ATOM 9970 HD12 LEU B 108 176.877 231.191 200.775 1.00 84.46 H +ATOM 9971 HD13 LEU B 108 177.318 230.743 202.234 1.00 84.46 H +ATOM 9972 HD21 LEU B 108 178.882 228.351 201.442 1.00 61.19 H +ATOM 9973 HD22 LEU B 108 177.853 228.304 202.651 1.00 61.19 H +ATOM 9974 HD23 LEU B 108 177.714 227.274 201.450 1.00 61.19 H +ATOM 9975 N ARG B 109 172.827 227.834 201.980 1.00 41.00 N +ATOM 9976 CA ARG B 109 171.768 227.537 202.931 1.00 42.26 C +ATOM 9977 C ARG B 109 171.367 226.064 202.874 1.00 41.13 C +ATOM 9978 O ARG B 109 171.214 225.413 203.906 1.00 35.86 O +ATOM 9979 CB ARG B 109 170.555 228.420 202.654 1.00 36.29 C +ATOM 9980 CG ARG B 109 169.473 228.335 203.710 1.00 37.94 C +ATOM 9981 CD ARG B 109 168.116 228.532 203.091 1.00 40.62 C +ATOM 9982 NE ARG B 109 167.043 228.440 204.073 1.00 45.94 N +ATOM 9983 CZ ARG B 109 165.754 228.560 203.775 1.00 48.04 C +ATOM 9984 NH1 ARG B 109 164.840 228.462 204.729 1.00 47.76 N +ATOM 9985 NH2 ARG B 109 165.380 228.777 202.520 1.00 43.65 N +ATOM 9986 H ARG B 109 172.644 228.484 201.448 1.00 49.20 H +ATOM 9987 HA ARG B 109 172.083 227.730 203.828 1.00 50.71 H +ATOM 9988 HB2 ARG B 109 170.846 229.343 202.604 1.00 43.55 H +ATOM 9989 HB3 ARG B 109 170.162 228.154 201.808 1.00 43.55 H +ATOM 9990 HG2 ARG B 109 169.496 227.459 204.127 1.00 45.53 H +ATOM 9991 HG3 ARG B 109 169.613 229.030 204.373 1.00 45.53 H +ATOM 9992 HD2 ARG B 109 168.078 229.412 202.684 1.00 48.75 H +ATOM 9993 HD3 ARG B 109 167.971 227.848 202.420 1.00 48.75 H +ATOM 9994 HE ARG B 109 167.251 228.219 204.877 1.00 55.13 H +ATOM 9995 HH11 ARG B 109 165.081 228.322 205.543 1.00 57.31 H +ATOM 9996 HH12 ARG B 109 164.006 228.540 204.536 1.00 57.31 H +ATOM 9997 HH21 ARG B 109 165.972 228.840 201.900 1.00 52.38 H +ATOM 9998 HH22 ARG B 109 164.545 228.854 202.328 1.00 52.38 H +ATOM 9999 N ASN B 110 171.204 225.546 201.662 1.00 38.18 N +ATOM 10000 CA ASN B 110 170.843 224.149 201.467 1.00 38.65 C +ATOM 10001 C ASN B 110 171.919 223.200 201.988 1.00 38.76 C +ATOM 10002 O ASN B 110 171.615 222.178 202.604 1.00 34.52 O +ATOM 10003 CB ASN B 110 170.583 223.871 199.985 1.00 35.00 C +ATOM 10004 CG ASN B 110 169.353 224.585 199.465 1.00 41.51 C +ATOM 10005 OD1 ASN B 110 168.416 224.863 200.214 1.00 35.46 O +ATOM 10006 ND2 ASN B 110 169.347 224.882 198.172 1.00 43.60 N +ATOM 10007 H ASN B 110 171.298 225.988 200.930 1.00 45.81 H +ATOM 10008 HA ASN B 110 170.024 223.965 201.953 1.00 46.38 H +ATOM 10009 HB2 ASN B 110 171.347 224.172 199.468 1.00 42.01 H +ATOM 10010 HB3 ASN B 110 170.453 222.917 199.860 1.00 42.01 H +ATOM 10011 HD21 ASN B 110 168.671 225.287 197.827 1.00 52.32 H +ATOM 10012 HD22 ASN B 110 170.018 224.669 197.678 1.00 52.32 H +ATOM 10013 N ALA B 111 173.177 223.545 201.736 1.00 34.42 N +ATOM 10014 CA ALA B 111 174.294 222.714 202.164 1.00 36.31 C +ATOM 10015 C ALA B 111 174.368 222.653 203.685 1.00 33.23 C +ATOM 10016 O ALA B 111 174.631 221.600 204.262 1.00 31.84 O +ATOM 10017 CB ALA B 111 175.597 223.243 201.589 1.00 34.27 C +ATOM 10018 H ALA B 111 173.411 224.259 201.318 1.00 41.30 H +ATOM 10019 HA ALA B 111 174.163 221.811 201.832 1.00 43.57 H +ATOM 10020 HB1 ALA B 111 176.326 222.675 201.886 1.00 41.12 H +ATOM 10021 HB2 ALA B 111 175.542 223.232 200.621 1.00 41.12 H +ATOM 10022 HB3 ALA B 111 175.734 224.150 201.903 1.00 41.12 H +ATOM 10023 N ILE B 112 174.132 223.791 204.329 1.00 34.41 N +ATOM 10024 CA ILE B 112 174.149 223.868 205.783 1.00 31.47 C +ATOM 10025 C ILE B 112 172.989 223.080 206.377 1.00 35.15 C +ATOM 10026 O ILE B 112 173.182 222.272 207.286 1.00 29.25 O +ATOM 10027 CB ILE B 112 174.086 225.329 206.266 1.00 34.67 C +ATOM 10028 CG1 ILE B 112 175.368 226.065 205.865 1.00 31.80 C +ATOM 10029 CG2 ILE B 112 173.891 225.397 207.784 1.00 35.20 C +ATOM 10030 CD1 ILE B 112 175.318 227.561 206.083 1.00 32.73 C +ATOM 10031 H ILE B 112 173.958 224.539 203.942 1.00 41.29 H +ATOM 10032 HA ILE B 112 174.976 223.479 206.110 1.00 37.76 H +ATOM 10033 HB ILE B 112 173.332 225.764 205.837 1.00 41.60 H +ATOM 10034 HG12 ILE B 112 176.105 225.715 206.389 1.00 38.16 H +ATOM 10035 HG13 ILE B 112 175.534 225.909 204.922 1.00 38.16 H +ATOM 10036 HG21 ILE B 112 173.855 226.327 208.056 1.00 42.24 H +ATOM 10037 HG22 ILE B 112 173.062 224.952 208.015 1.00 42.24 H +ATOM 10038 HG23 ILE B 112 174.638 224.954 208.217 1.00 42.24 H +ATOM 10039 HD11 ILE B 112 176.163 227.949 205.806 1.00 39.28 H +ATOM 10040 HD12 ILE B 112 174.594 227.933 205.555 1.00 39.28 H +ATOM 10041 HD13 ILE B 112 175.165 227.738 207.025 1.00 39.28 H +ATOM 10042 N MET B 113 171.785 223.322 205.869 1.00 34.24 N +ATOM 10043 CA MET B 113 170.605 222.626 206.361 1.00 29.75 C +ATOM 10044 C MET B 113 170.759 221.126 206.157 1.00 31.19 C +ATOM 10045 O MET B 113 170.417 220.333 207.029 1.00 27.55 O +ATOM 10046 CB MET B 113 169.342 223.122 205.657 1.00 30.04 C +ATOM 10047 CG MET B 113 168.060 222.536 206.229 1.00 27.03 C +ATOM 10048 SD MET B 113 167.756 223.103 207.911 1.00 27.77 S +ATOM 10049 CE MET B 113 166.810 221.733 208.573 1.00 30.16 C +ATOM 10050 H MET B 113 171.626 223.885 205.238 1.00 41.09 H +ATOM 10051 HA MET B 113 170.508 222.805 207.309 1.00 35.70 H +ATOM 10052 HB2 MET B 113 169.292 224.087 205.745 1.00 36.05 H +ATOM 10053 HB3 MET B 113 169.388 222.878 204.720 1.00 36.05 H +ATOM 10054 HG2 MET B 113 167.311 222.809 205.677 1.00 32.44 H +ATOM 10055 HG3 MET B 113 168.131 221.569 206.243 1.00 32.44 H +ATOM 10056 HE1 MET B 113 166.581 221.925 209.496 1.00 36.20 H +ATOM 10057 HE2 MET B 113 166.002 221.625 208.047 1.00 36.20 H +ATOM 10058 HE3 MET B 113 167.347 220.927 208.525 1.00 36.20 H +ATOM 10059 N SER B 114 171.276 220.744 204.997 1.00 34.44 N +ATOM 10060 CA SER B 114 171.521 219.342 204.697 1.00 37.75 C +ATOM 10061 C SER B 114 172.489 218.730 205.706 1.00 40.09 C +ATOM 10062 O SER B 114 172.315 217.588 206.131 1.00 42.00 O +ATOM 10063 CB SER B 114 172.070 219.188 203.282 1.00 37.90 C +ATOM 10064 OG SER B 114 172.424 217.843 203.024 1.00 46.77 O +ATOM 10065 H SER B 114 171.496 221.282 204.362 1.00 41.33 H +ATOM 10066 HA SER B 114 170.683 218.856 204.750 1.00 45.31 H +ATOM 10067 HB2 SER B 114 171.390 219.462 202.648 1.00 45.48 H +ATOM 10068 HB3 SER B 114 172.858 219.746 203.187 1.00 45.48 H +ATOM 10069 HG SER B 114 172.725 217.770 202.243 1.00 56.13 H +ATOM 10070 N TYR B 115 173.502 219.497 206.093 1.00 31.82 N +ATOM 10071 CA TYR B 115 174.475 219.020 207.065 1.00 37.18 C +ATOM 10072 C TYR B 115 173.854 218.881 208.447 1.00 36.45 C +ATOM 10073 O TYR B 115 174.136 217.923 209.166 1.00 43.30 O +ATOM 10074 CB TYR B 115 175.680 219.956 207.147 1.00 34.32 C +ATOM 10075 CG TYR B 115 176.586 219.599 208.297 1.00 35.93 C +ATOM 10076 CD1 TYR B 115 177.459 218.525 208.204 1.00 43.54 C +ATOM 10077 CD2 TYR B 115 176.548 220.314 209.486 1.00 38.07 C +ATOM 10078 CE1 TYR B 115 178.280 218.181 209.257 1.00 41.20 C +ATOM 10079 CE2 TYR B 115 177.367 219.978 210.545 1.00 39.67 C +ATOM 10080 CZ TYR B 115 178.230 218.911 210.425 1.00 41.46 C +ATOM 10081 OH TYR B 115 179.050 218.570 211.477 1.00 81.76 O +ATOM 10082 H TYR B 115 173.647 220.295 205.808 1.00 38.18 H +ATOM 10083 HA TYR B 115 174.793 218.146 206.790 1.00 44.62 H +ATOM 10084 HB2 TYR B 115 176.192 219.889 206.326 1.00 41.19 H +ATOM 10085 HB3 TYR B 115 175.370 220.866 207.276 1.00 41.19 H +ATOM 10086 HD1 TYR B 115 177.494 218.031 207.417 1.00 52.25 H +ATOM 10087 HD2 TYR B 115 175.965 221.034 209.568 1.00 45.68 H +ATOM 10088 HE1 TYR B 115 178.865 217.462 209.179 1.00 49.44 H +ATOM 10089 HE2 TYR B 115 177.335 220.469 211.335 1.00 47.60 H +ATOM 10090 HH TYR B 115 178.920 219.091 212.123 1.00 98.11 H +ATOM 10091 N VAL B 116 173.028 219.850 208.823 1.00 36.98 N +ATOM 10092 CA VAL B 116 172.323 219.806 210.098 1.00 35.84 C +ATOM 10093 C VAL B 116 171.508 218.525 210.213 1.00 37.44 C +ATOM 10094 O VAL B 116 171.505 217.874 211.256 1.00 35.54 O +ATOM 10095 CB VAL B 116 171.397 221.031 210.271 1.00 35.30 C +ATOM 10096 CG1 VAL B 116 170.372 220.809 211.390 1.00 35.86 C +ATOM 10097 CG2 VAL B 116 172.223 222.278 210.546 1.00 37.51 C +ATOM 10098 H VAL B 116 172.857 220.550 208.353 1.00 44.38 H +ATOM 10099 HA VAL B 116 172.972 219.815 210.819 1.00 43.00 H +ATOM 10100 HB VAL B 116 170.909 221.174 209.445 1.00 42.36 H +ATOM 10101 HG11 VAL B 116 169.812 221.597 211.466 1.00 43.03 H +ATOM 10102 HG12 VAL B 116 169.828 220.036 211.170 1.00 43.03 H +ATOM 10103 HG13 VAL B 116 170.843 220.655 212.224 1.00 43.03 H +ATOM 10104 HG21 VAL B 116 171.626 223.035 210.652 1.00 45.01 H +ATOM 10105 HG22 VAL B 116 172.735 222.143 211.359 1.00 45.01 H +ATOM 10106 HG23 VAL B 116 172.822 222.430 209.799 1.00 45.01 H +ATOM 10107 N LEU B 117 170.822 218.163 209.135 1.00 32.62 N +ATOM 10108 CA LEU B 117 169.942 217.002 209.143 1.00 39.88 C +ATOM 10109 C LEU B 117 170.710 215.688 209.273 1.00 43.39 C +ATOM 10110 O LEU B 117 170.365 214.848 210.099 1.00 40.66 O +ATOM 10111 CB LEU B 117 169.088 216.977 207.874 1.00 39.59 C +ATOM 10112 CG LEU B 117 168.081 218.122 207.729 1.00 35.80 C +ATOM 10113 CD1 LEU B 117 167.444 218.081 206.352 1.00 35.64 C +ATOM 10114 CD2 LEU B 117 167.020 218.067 208.821 1.00 29.24 C +ATOM 10115 H LEU B 117 170.849 218.577 208.381 1.00 39.15 H +ATOM 10116 HA LEU B 117 169.343 217.070 209.902 1.00 47.86 H +ATOM 10117 HB2 LEU B 117 169.679 217.012 207.106 1.00 47.51 H +ATOM 10118 HB3 LEU B 117 168.587 216.146 207.859 1.00 47.51 H +ATOM 10119 HG LEU B 117 168.551 218.965 207.814 1.00 42.96 H +ATOM 10120 HD11 LEU B 117 166.810 218.812 206.277 1.00 42.77 H +ATOM 10121 HD12 LEU B 117 168.138 218.175 205.681 1.00 42.77 H +ATOM 10122 HD13 LEU B 117 166.987 217.233 206.241 1.00 42.77 H +ATOM 10123 HD21 LEU B 117 166.402 218.804 208.697 1.00 35.09 H +ATOM 10124 HD22 LEU B 117 166.546 217.223 208.758 1.00 35.09 H +ATOM 10125 HD23 LEU B 117 167.453 218.139 209.685 1.00 35.09 H +ATOM 10126 N THR B 118 171.746 215.513 208.463 1.00 42.79 N +ATOM 10127 CA THR B 118 172.482 214.253 208.440 1.00 47.20 C +ATOM 10128 C THR B 118 173.361 214.065 209.676 1.00 49.01 C +ATOM 10129 O THR B 118 173.473 212.955 210.195 1.00 44.41 O +ATOM 10130 CB THR B 118 173.367 214.144 207.189 1.00 42.58 C +ATOM 10131 OG1 THR B 118 174.183 215.315 207.074 1.00 48.06 O +ATOM 10132 CG2 THR B 118 172.511 213.996 205.939 1.00 38.29 C +ATOM 10133 H THR B 118 172.045 216.106 207.916 1.00 51.35 H +ATOM 10134 HA THR B 118 171.845 213.522 208.417 1.00 56.64 H +ATOM 10135 HB THR B 118 173.935 213.361 207.264 1.00 51.10 H +ATOM 10136 HG1 THR B 118 174.669 215.261 206.391 1.00 57.68 H +ATOM 10137 HG21 THR B 118 173.079 213.928 205.155 1.00 45.95 H +ATOM 10138 HG22 THR B 118 171.965 213.197 206.004 1.00 45.95 H +ATOM 10139 HG23 THR B 118 171.931 214.767 205.842 1.00 45.95 H +ATOM 10140 N SER B 119 173.979 215.144 210.148 1.00 39.34 N +ATOM 10141 CA SER B 119 174.875 215.057 211.297 1.00 39.90 C +ATOM 10142 C SER B 119 174.109 214.690 212.569 1.00 41.71 C +ATOM 10143 O SER B 119 174.540 213.828 213.334 1.00 35.51 O +ATOM 10144 CB SER B 119 175.634 216.374 211.493 1.00 31.91 C +ATOM 10145 OG SER B 119 174.793 217.403 211.985 1.00 36.03 O +ATOM 10146 H SER B 119 173.897 215.935 209.823 1.00 47.21 H +ATOM 10147 HA SER B 119 175.528 214.359 211.132 1.00 47.88 H +ATOM 10148 HB2 SER B 119 176.353 216.229 212.128 1.00 38.30 H +ATOM 10149 HB3 SER B 119 176.002 216.653 210.640 1.00 38.30 H +ATOM 10150 HG SER B 119 174.166 217.544 211.444 1.00 43.23 H +ATOM 10151 N ARG B 120 172.970 215.337 212.792 1.00 44.42 N +ATOM 10152 CA ARG B 120 172.160 215.058 213.974 1.00 42.20 C +ATOM 10153 C ARG B 120 171.513 213.678 213.876 1.00 44.12 C +ATOM 10154 O ARG B 120 171.410 212.959 214.867 1.00 41.58 O +ATOM 10155 CB ARG B 120 171.083 216.127 214.156 1.00 31.14 C +ATOM 10156 CG ARG B 120 171.610 217.553 214.268 1.00 38.64 C +ATOM 10157 CD ARG B 120 171.855 217.973 215.708 1.00 44.94 C +ATOM 10158 NE ARG B 120 171.892 219.427 215.846 1.00 54.14 N +ATOM 10159 CZ ARG B 120 172.103 220.069 216.990 1.00 46.57 C +ATOM 10160 NH1 ARG B 120 172.303 219.391 218.111 1.00 44.41 N +ATOM 10161 NH2 ARG B 120 172.116 221.393 217.016 1.00 49.58 N +ATOM 10162 H ARG B 120 172.644 215.941 212.274 1.00 53.30 H +ATOM 10163 HA ARG B 120 172.730 215.069 214.759 1.00 50.64 H +ATOM 10164 HB2 ARG B 120 170.484 216.096 213.393 1.00 37.37 H +ATOM 10165 HB3 ARG B 120 170.588 215.933 214.967 1.00 37.37 H +ATOM 10166 HG2 ARG B 120 172.451 217.618 213.789 1.00 46.37 H +ATOM 10167 HG3 ARG B 120 170.961 218.162 213.884 1.00 46.37 H +ATOM 10168 HD2 ARG B 120 171.138 217.634 216.267 1.00 53.93 H +ATOM 10169 HD3 ARG B 120 172.708 217.618 216.005 1.00 53.93 H +ATOM 10170 HE ARG B 120 171.770 219.900 215.138 1.00 64.96 H +ATOM 10171 HH11 ARG B 120 172.296 218.531 218.101 1.00 53.29 H +ATOM 10172 HH12 ARG B 120 172.440 219.811 218.849 1.00 53.29 H +ATOM 10173 HH21 ARG B 120 171.987 221.838 216.291 1.00 59.49 H +ATOM 10174 HH22 ARG B 120 172.254 221.808 217.756 1.00 59.49 H +ATOM 10175 N SER B 121 171.088 213.309 212.673 1.00 44.34 N +ATOM 10176 CA SER B 121 170.404 212.039 212.457 1.00 48.08 C +ATOM 10177 C SER B 121 171.289 210.830 212.749 1.00 44.46 C +ATOM 10178 O SER B 121 170.791 209.783 213.154 1.00 46.05 O +ATOM 10179 CB SER B 121 169.889 211.956 211.020 1.00 49.55 C +ATOM 10180 OG SER B 121 168.797 212.838 210.819 1.00 53.98 O +ATOM 10181 H SER B 121 171.184 213.780 211.960 1.00 53.21 H +ATOM 10182 HA SER B 121 169.637 211.994 213.049 1.00 57.69 H +ATOM 10183 HB2 SER B 121 170.606 212.199 210.414 1.00 59.46 H +ATOM 10184 HB3 SER B 121 169.598 211.048 210.842 1.00 59.46 H +ATOM 10185 HG SER B 121 169.035 213.629 210.970 1.00 64.77 H +ATOM 10186 N HIS B 122 172.595 210.975 212.535 1.00 45.71 N +ATOM 10187 CA HIS B 122 173.537 209.881 212.765 1.00 45.34 C +ATOM 10188 C HIS B 122 173.559 209.433 214.224 1.00 31.74 C +ATOM 10189 O HIS B 122 174.060 208.355 214.537 1.00 30.94 O +ATOM 10190 CB HIS B 122 174.951 210.290 212.345 1.00 49.47 C +ATOM 10191 CG HIS B 122 175.157 210.345 210.863 1.00 66.74 C +ATOM 10192 ND1 HIS B 122 176.262 210.934 210.289 1.00 73.11 N +ATOM 10193 CD2 HIS B 122 174.405 209.880 209.838 1.00 73.50 C +ATOM 10194 CE1 HIS B 122 176.180 210.834 208.974 1.00 74.29 C +ATOM 10195 NE2 HIS B 122 175.062 210.198 208.674 1.00 75.79 N +ATOM 10196 H HIS B 122 172.963 211.700 212.255 1.00 54.86 H +ATOM 10197 HA HIS B 122 173.273 209.120 212.224 1.00 54.41 H +ATOM 10198 HB2 HIS B 122 175.140 211.171 212.703 1.00 59.36 H +ATOM 10199 HB3 HIS B 122 175.581 209.647 212.707 1.00 59.36 H +ATOM 10200 HD2 HIS B 122 173.593 209.432 209.908 1.00 88.20 H +ATOM 10201 HE1 HIS B 122 176.803 211.155 208.364 1.00 89.15 H +ATOM 10202 HE2 HIS B 122 174.790 210.013 207.880 1.00 90.94 H +ATOM 10203 N LEU B 123 173.027 210.265 215.112 1.00 31.40 N +ATOM 10204 CA LEU B 123 173.038 209.969 216.541 1.00 34.79 C +ATOM 10205 C LEU B 123 171.913 209.027 216.943 1.00 24.40 C +ATOM 10206 O LEU B 123 171.886 208.529 218.065 1.00 30.96 O +ATOM 10207 CB LEU B 123 172.939 211.264 217.347 1.00 37.88 C +ATOM 10208 CG LEU B 123 174.202 212.124 217.376 1.00 34.79 C +ATOM 10209 CD1 LEU B 123 173.903 213.481 217.991 1.00 39.88 C +ATOM 10210 CD2 LEU B 123 175.299 211.419 218.147 1.00 32.41 C +ATOM 10211 H LEU B 123 172.650 211.012 214.911 1.00 37.68 H +ATOM 10212 HA LEU B 123 173.879 209.542 216.766 1.00 41.75 H +ATOM 10213 HB2 LEU B 123 172.228 211.805 216.970 1.00 45.45 H +ATOM 10214 HB3 LEU B 123 172.721 211.037 218.264 1.00 45.45 H +ATOM 10215 HG LEU B 123 174.513 212.264 216.468 1.00 41.75 H +ATOM 10216 HD11 LEU B 123 174.716 214.010 217.999 1.00 47.86 H +ATOM 10217 HD12 LEU B 123 173.224 213.925 217.458 1.00 47.86 H +ATOM 10218 HD13 LEU B 123 173.581 213.353 218.897 1.00 47.86 H +ATOM 10219 HD21 LEU B 123 176.090 211.980 218.154 1.00 38.89 H +ATOM 10220 HD22 LEU B 123 174.995 211.263 219.055 1.00 38.89 H +ATOM 10221 HD23 LEU B 123 175.495 210.573 217.714 1.00 38.89 H +ATOM 10222 N ILE B 124 170.987 208.788 216.023 1.00 26.66 N +ATOM 10223 CA ILE B 124 169.847 207.920 216.278 1.00 26.98 C +ATOM 10224 C ILE B 124 170.006 206.604 215.535 1.00 26.59 C +ATOM 10225 O ILE B 124 170.291 206.587 214.340 1.00 29.23 O +ATOM 10226 CB ILE B 124 168.530 208.590 215.852 1.00 21.40 C +ATOM 10227 CG1 ILE B 124 168.401 209.970 216.506 1.00 28.24 C +ATOM 10228 CG2 ILE B 124 167.330 207.701 216.195 1.00 21.43 C +ATOM 10229 CD1 ILE B 124 168.436 209.948 218.019 1.00 24.40 C +ATOM 10230 H ILE B 124 170.998 209.122 215.230 1.00 32.00 H +ATOM 10231 HA ILE B 124 169.798 207.729 217.227 1.00 32.38 H +ATOM 10232 HB ILE B 124 168.550 208.712 214.890 1.00 25.68 H +ATOM 10233 HG12 ILE B 124 169.135 210.528 216.202 1.00 33.89 H +ATOM 10234 HG13 ILE B 124 167.557 210.365 216.236 1.00 33.89 H +ATOM 10235 HG21 ILE B 124 166.516 208.149 215.916 1.00 25.71 H +ATOM 10236 HG22 ILE B 124 167.420 206.856 215.728 1.00 25.71 H +ATOM 10237 HG23 ILE B 124 167.313 207.551 217.153 1.00 25.71 H +ATOM 10238 HD11 ILE B 124 168.349 210.856 218.350 1.00 29.28 H +ATOM 10239 HD12 ILE B 124 167.700 209.406 218.344 1.00 29.28 H +ATOM 10240 HD13 ILE B 124 169.280 209.569 218.310 1.00 29.28 H +ATOM 10241 N ASP B 125 169.831 205.497 216.250 1.00 24.95 N +ATOM 10242 CA ASP B 125 169.835 204.185 215.621 1.00 30.22 C +ATOM 10243 C ASP B 125 168.497 203.942 214.933 1.00 24.57 C +ATOM 10244 O ASP B 125 167.442 204.016 215.560 1.00 26.07 O +ATOM 10245 CB ASP B 125 170.121 203.085 216.647 1.00 29.09 C +ATOM 10246 CG ASP B 125 171.587 203.021 217.040 1.00 40.91 C +ATOM 10247 OD1 ASP B 125 172.438 203.482 216.248 1.00 36.43 O +ATOM 10248 OD2 ASP B 125 171.889 202.505 218.135 1.00 52.21 O +ATOM 10249 H ASP B 125 169.708 205.481 217.101 1.00 29.93 H +ATOM 10250 HA ASP B 125 170.531 204.158 214.946 1.00 36.27 H +ATOM 10251 HB2 ASP B 125 169.603 203.257 217.449 1.00 34.91 H +ATOM 10252 HB3 ASP B 125 169.874 202.227 216.269 1.00 34.91 H +ATOM 10253 N SER B 126 168.559 203.644 213.642 1.00 22.77 N +ATOM 10254 CA SER B 126 167.368 203.463 212.829 1.00 25.37 C +ATOM 10255 C SER B 126 167.636 202.422 211.742 1.00 18.77 C +ATOM 10256 O SER B 126 168.495 202.636 210.893 1.00 26.68 O +ATOM 10257 CB SER B 126 166.946 204.795 212.206 1.00 21.03 C +ATOM 10258 OG SER B 126 165.744 204.664 211.465 1.00 26.37 O +ATOM 10259 H SER B 126 169.294 203.539 213.207 1.00 27.32 H +ATOM 10260 HA SER B 126 166.642 203.143 213.387 1.00 30.45 H +ATOM 10261 HB2 SER B 126 166.809 205.443 212.915 1.00 25.24 H +ATOM 10262 HB3 SER B 126 167.649 205.101 211.612 1.00 25.24 H +ATOM 10263 HG SER B 126 165.124 204.401 211.968 1.00 31.65 H +ATOM 10264 N PRO B 127 166.914 201.288 211.756 1.00 22.69 N +ATOM 10265 CA PRO B 127 165.852 200.868 212.682 1.00 24.67 C +ATOM 10266 C PRO B 127 166.304 200.797 214.143 1.00 25.78 C +ATOM 10267 O PRO B 127 167.496 200.645 214.417 1.00 22.20 O +ATOM 10268 CB PRO B 127 165.459 199.477 212.163 1.00 30.67 C +ATOM 10269 CG PRO B 127 166.549 199.066 211.244 1.00 30.37 C +ATOM 10270 CD PRO B 127 167.092 200.316 210.665 1.00 21.34 C +ATOM 10271 HA PRO B 127 165.090 201.463 212.611 1.00 29.61 H +ATOM 10272 HB2 PRO B 127 165.390 198.860 212.908 1.00 36.80 H +ATOM 10273 HB3 PRO B 127 164.615 199.535 211.688 1.00 36.80 H +ATOM 10274 HG2 PRO B 127 167.235 198.597 211.744 1.00 36.44 H +ATOM 10275 HG3 PRO B 127 166.188 198.497 210.546 1.00 36.44 H +ATOM 10276 HD2 PRO B 127 168.033 200.212 210.454 1.00 25.61 H +ATOM 10277 HD3 PRO B 127 166.578 200.581 209.886 1.00 25.61 H +ATOM 10278 N PRO B 128 165.345 200.905 215.074 1.00 26.20 N +ATOM 10279 CA PRO B 128 165.607 201.061 216.506 1.00 20.11 C +ATOM 10280 C PRO B 128 166.161 199.798 217.152 1.00 21.52 C +ATOM 10281 O PRO B 128 166.137 198.733 216.537 1.00 15.31 O +ATOM 10282 CB PRO B 128 164.231 201.400 217.067 1.00 20.64 C +ATOM 10283 CG PRO B 128 163.295 200.692 216.171 1.00 28.49 C +ATOM 10284 CD PRO B 128 163.905 200.745 214.802 1.00 25.90 C +ATOM 10285 HA PRO B 128 166.214 201.801 216.664 1.00 24.13 H +ATOM 10286 HB2 PRO B 128 164.155 201.072 217.977 1.00 24.77 H +ATOM 10287 HB3 PRO B 128 164.087 202.359 217.030 1.00 24.77 H +ATOM 10288 HG2 PRO B 128 163.199 199.772 216.465 1.00 34.19 H +ATOM 10289 HG3 PRO B 128 162.436 201.143 216.178 1.00 34.19 H +ATOM 10290 HD2 PRO B 128 163.741 199.916 214.326 1.00 31.08 H +ATOM 10291 HD3 PRO B 128 163.567 201.510 214.310 1.00 31.08 H +ATOM 10292 N THR B 129 166.634 199.922 218.388 1.00 18.86 N +ATOM 10293 CA THR B 129 167.313 198.823 219.065 1.00 25.28 C +ATOM 10294 C THR B 129 166.642 198.444 220.391 1.00 20.77 C +ATOM 10295 O THR B 129 165.781 197.572 220.417 1.00 26.62 O +ATOM 10296 CB THR B 129 168.794 199.173 219.305 1.00 21.68 C +ATOM 10297 OG1 THR B 129 168.894 200.399 220.038 1.00 26.62 O +ATOM 10298 CG2 THR B 129 169.514 199.336 217.973 1.00 19.90 C +ATOM 10299 H THR B 129 166.574 200.639 218.860 1.00 22.64 H +ATOM 10300 HA THR B 129 167.286 198.043 218.490 1.00 30.34 H +ATOM 10301 HB THR B 129 169.222 198.459 219.804 1.00 26.01 H +ATOM 10302 HG1 THR B 129 169.702 200.590 220.169 1.00 31.94 H +ATOM 10303 HG21 THR B 129 170.446 199.556 218.125 1.00 23.87 H +ATOM 10304 HG22 THR B 129 169.463 198.511 217.466 1.00 23.87 H +ATOM 10305 HG23 THR B 129 169.102 200.048 217.459 1.00 23.87 H +ATOM 10306 N TYR B 130 167.028 199.099 221.481 1.00 20.87 N +ATOM 10307 CA TYR B 130 166.586 198.688 222.810 1.00 24.55 C +ATOM 10308 C TYR B 130 165.217 199.246 223.199 1.00 30.01 C +ATOM 10309 O TYR B 130 164.752 200.230 222.630 1.00 33.40 O +ATOM 10310 CB TYR B 130 167.608 199.125 223.863 1.00 27.40 C +ATOM 10311 CG TYR B 130 169.045 198.795 223.530 1.00 27.53 C +ATOM 10312 CD1 TYR B 130 169.518 197.492 223.610 1.00 26.23 C +ATOM 10313 CD2 TYR B 130 169.936 199.791 223.152 1.00 26.51 C +ATOM 10314 CE1 TYR B 130 170.829 197.189 223.312 1.00 26.06 C +ATOM 10315 CE2 TYR B 130 171.255 199.496 222.854 1.00 30.47 C +ATOM 10316 CZ TYR B 130 171.693 198.194 222.936 1.00 30.68 C +ATOM 10317 OH TYR B 130 172.999 197.890 222.642 1.00 33.61 O +ATOM 10318 H TYR B 130 167.547 199.785 221.479 1.00 25.05 H +ATOM 10319 HA TYR B 130 166.529 197.720 222.835 1.00 29.46 H +ATOM 10320 HB2 TYR B 130 167.546 200.086 223.973 1.00 32.88 H +ATOM 10321 HB3 TYR B 130 167.394 198.687 224.702 1.00 32.88 H +ATOM 10322 HD1 TYR B 130 168.938 196.810 223.863 1.00 31.47 H +ATOM 10323 HD2 TYR B 130 169.641 200.671 223.096 1.00 31.81 H +ATOM 10324 HE1 TYR B 130 171.130 196.311 223.368 1.00 31.28 H +ATOM 10325 HE2 TYR B 130 171.840 200.172 222.599 1.00 36.56 H +ATOM 10326 HH TYR B 130 173.415 198.588 222.428 1.00 40.33 H +ATOM 10327 N ASN B 131 164.578 198.596 224.168 1.00 26.15 N +ATOM 10328 CA ASN B 131 163.454 199.191 224.885 1.00 26.64 C +ATOM 10329 C ASN B 131 163.598 198.886 226.375 1.00 27.12 C +ATOM 10330 O ASN B 131 164.641 198.395 226.806 1.00 25.85 O +ATOM 10331 CB ASN B 131 162.104 198.704 224.334 1.00 24.25 C +ATOM 10332 CG ASN B 131 161.868 197.211 224.522 1.00 25.80 C +ATOM 10333 OD1 ASN B 131 162.311 196.598 225.493 1.00 29.21 O +ATOM 10334 ND2 ASN B 131 161.138 196.624 223.587 1.00 19.76 N +ATOM 10335 H ASN B 131 164.779 197.803 224.431 1.00 31.38 H +ATOM 10336 HA ASN B 131 163.488 200.154 224.776 1.00 31.96 H +ATOM 10337 HB2 ASN B 131 161.390 199.177 224.790 1.00 29.10 H +ATOM 10338 HB3 ASN B 131 162.068 198.893 223.383 1.00 29.10 H +ATOM 10339 HD21 ASN B 131 160.970 195.783 223.638 1.00 23.71 H +ATOM 10340 HD22 ASN B 131 160.831 197.085 222.929 1.00 23.71 H +ATOM 10341 N ALA B 132 162.561 199.176 227.155 1.00 27.13 N +ATOM 10342 CA ALA B 132 162.633 199.055 228.611 1.00 27.22 C +ATOM 10343 C ALA B 132 162.961 197.639 229.080 1.00 26.23 C +ATOM 10344 O ALA B 132 163.565 197.460 230.132 1.00 34.50 O +ATOM 10345 CB ALA B 132 161.323 199.510 229.240 1.00 23.22 C +ATOM 10346 H ALA B 132 161.798 199.447 226.865 1.00 32.55 H +ATOM 10347 HA ALA B 132 163.334 199.641 228.936 1.00 32.67 H +ATOM 10348 HB1 ALA B 132 161.389 199.423 230.204 1.00 27.87 H +ATOM 10349 HB2 ALA B 132 161.164 200.437 229.002 1.00 27.87 H +ATOM 10350 HB3 ALA B 132 160.602 198.954 228.906 1.00 27.87 H +ATOM 10351 N ASP B 133 162.566 196.640 228.300 1.00 29.76 N +ATOM 10352 CA ASP B 133 162.708 195.247 228.716 1.00 24.28 C +ATOM 10353 C ASP B 133 163.920 194.536 228.112 1.00 23.93 C +ATOM 10354 O ASP B 133 164.176 193.382 228.437 1.00 27.84 O +ATOM 10355 CB ASP B 133 161.436 194.467 228.363 1.00 22.02 C +ATOM 10356 CG ASP B 133 160.302 194.725 229.341 1.00 21.56 C +ATOM 10357 OD1 ASP B 133 160.577 195.091 230.499 1.00 32.22 O +ATOM 10358 OD2 ASP B 133 159.131 194.553 228.955 1.00 30.89 O +ATOM 10359 H ASP B 133 162.212 196.741 227.523 1.00 35.71 H +ATOM 10360 HA ASP B 133 162.807 195.223 229.680 1.00 29.14 H +ATOM 10361 HB2 ASP B 133 161.137 194.733 227.480 1.00 26.43 H +ATOM 10362 HB3 ASP B 133 161.634 193.518 228.376 1.00 26.43 H +ATOM 10363 N TYR B 134 164.670 195.217 227.252 1.00 27.52 N +ATOM 10364 CA TYR B 134 165.814 194.589 226.595 1.00 26.05 C +ATOM 10365 C TYR B 134 167.034 195.498 226.517 1.00 27.41 C +ATOM 10366 O TYR B 134 167.031 196.497 225.806 1.00 27.98 O +ATOM 10367 CB TYR B 134 165.415 194.123 225.194 1.00 23.02 C +ATOM 10368 CG TYR B 134 164.403 193.005 225.229 1.00 18.18 C +ATOM 10369 CD1 TYR B 134 164.808 191.683 225.334 1.00 18.25 C +ATOM 10370 CD2 TYR B 134 163.042 193.270 225.183 1.00 21.30 C +ATOM 10371 CE1 TYR B 134 163.889 190.659 225.375 1.00 17.92 C +ATOM 10372 CE2 TYR B 134 162.117 192.253 225.228 1.00 19.79 C +ATOM 10373 CZ TYR B 134 162.544 190.949 225.324 1.00 21.93 C +ATOM 10374 OH TYR B 134 161.618 189.936 225.371 1.00 27.32 O +ATOM 10375 H TYR B 134 164.540 196.038 227.031 1.00 33.02 H +ATOM 10376 HA TYR B 134 166.068 193.803 227.104 1.00 31.27 H +ATOM 10377 HB2 TYR B 134 165.024 194.868 224.711 1.00 27.63 H +ATOM 10378 HB3 TYR B 134 166.203 193.802 224.730 1.00 27.63 H +ATOM 10379 HD1 TYR B 134 165.716 191.484 225.369 1.00 21.90 H +ATOM 10380 HD2 TYR B 134 162.750 194.151 225.118 1.00 25.56 H +ATOM 10381 HE1 TYR B 134 164.175 189.776 225.443 1.00 21.50 H +ATOM 10382 HE2 TYR B 134 161.208 192.446 225.192 1.00 23.75 H +ATOM 10383 HH TYR B 134 162.006 189.194 225.430 1.00 32.79 H +ATOM 10384 N GLY B 135 168.074 195.131 227.262 1.00 24.85 N +ATOM 10385 CA GLY B 135 169.346 195.828 227.223 1.00 26.48 C +ATOM 10386 C GLY B 135 170.286 195.201 226.210 1.00 25.29 C +ATOM 10387 O GLY B 135 171.471 195.525 226.153 1.00 23.88 O +ATOM 10388 H GLY B 135 168.062 194.466 227.808 1.00 29.82 H +ATOM 10389 HA2 GLY B 135 169.202 196.757 226.981 1.00 31.78 H +ATOM 10390 HA3 GLY B 135 169.764 195.795 228.097 1.00 31.78 H +ATOM 10391 N TYR B 136 169.745 194.284 225.418 1.00 23.09 N +ATOM 10392 CA TYR B 136 170.473 193.671 224.316 1.00 28.74 C +ATOM 10393 C TYR B 136 169.552 193.644 223.107 1.00 24.57 C +ATOM 10394 O TYR B 136 168.333 193.646 223.263 1.00 26.33 O +ATOM 10395 CB TYR B 136 170.938 192.258 224.680 1.00 27.91 C +ATOM 10396 CG TYR B 136 169.824 191.359 225.158 1.00 21.59 C +ATOM 10397 CD1 TYR B 136 169.471 191.311 226.499 1.00 27.47 C +ATOM 10398 CD2 TYR B 136 169.118 190.563 224.269 1.00 19.93 C +ATOM 10399 CE1 TYR B 136 168.450 190.495 226.939 1.00 21.68 C +ATOM 10400 CE2 TYR B 136 168.096 189.745 224.702 1.00 25.74 C +ATOM 10401 CZ TYR B 136 167.767 189.715 226.039 1.00 23.46 C +ATOM 10402 OH TYR B 136 166.750 188.903 226.480 1.00 25.21 O +ATOM 10403 H TYR B 136 168.940 193.994 225.501 1.00 27.70 H +ATOM 10404 HA TYR B 136 171.252 194.208 224.101 1.00 34.49 H +ATOM 10405 HB2 TYR B 136 171.336 191.847 223.897 1.00 33.49 H +ATOM 10406 HB3 TYR B 136 171.597 192.318 225.390 1.00 33.49 H +ATOM 10407 HD1 TYR B 136 169.932 191.838 227.111 1.00 32.97 H +ATOM 10408 HD2 TYR B 136 169.337 190.581 223.365 1.00 23.92 H +ATOM 10409 HE1 TYR B 136 168.226 190.473 227.842 1.00 26.02 H +ATOM 10410 HE2 TYR B 136 167.632 189.216 224.094 1.00 30.89 H +ATOM 10411 HH TYR B 136 166.417 188.483 225.833 1.00 30.26 H +ATOM 10412 N LYS B 137 170.129 193.644 221.912 1.00 24.85 N +ATOM 10413 CA LYS B 137 169.330 193.574 220.694 1.00 21.87 C +ATOM 10414 C LYS B 137 168.528 192.282 220.669 1.00 22.99 C +ATOM 10415 O LYS B 137 169.051 191.207 220.964 1.00 29.83 O +ATOM 10416 CB LYS B 137 170.211 193.660 219.444 1.00 29.36 C +ATOM 10417 CG LYS B 137 170.580 195.070 219.009 1.00 26.41 C +ATOM 10418 CD LYS B 137 171.790 195.586 219.746 1.00 32.98 C +ATOM 10419 CE LYS B 137 172.440 196.737 219.003 1.00 27.29 C +ATOM 10420 NZ LYS B 137 173.672 197.187 219.699 1.00 30.40 N +ATOM 10421 H LYS B 137 170.977 193.685 221.778 1.00 29.81 H +ATOM 10422 HA LYS B 137 168.708 194.318 220.677 1.00 26.24 H +ATOM 10423 HB2 LYS B 137 171.037 193.181 219.616 1.00 35.23 H +ATOM 10424 HB3 LYS B 137 169.740 193.241 218.706 1.00 35.23 H +ATOM 10425 HG2 LYS B 137 170.781 195.069 218.060 1.00 31.69 H +ATOM 10426 HG3 LYS B 137 169.837 195.665 219.193 1.00 31.69 H +ATOM 10427 HD2 LYS B 137 171.521 195.902 220.623 1.00 39.58 H +ATOM 10428 HD3 LYS B 137 172.442 194.872 219.832 1.00 39.58 H +ATOM 10429 HE2 LYS B 137 172.681 196.449 218.109 1.00 32.75 H +ATOM 10430 HE3 LYS B 137 171.822 197.484 218.962 1.00 32.75 H +ATOM 10431 HZ1 LYS B 137 174.044 197.862 219.254 1.00 36.47 H +ATOM 10432 HZ2 LYS B 137 173.474 197.458 220.523 1.00 36.47 H +ATOM 10433 HZ3 LYS B 137 174.256 196.516 219.748 1.00 36.47 H +ATOM 10434 N SER B 138 167.253 192.398 220.321 1.00 22.94 N +ATOM 10435 CA SER B 138 166.375 191.246 220.211 1.00 22.95 C +ATOM 10436 C SER B 138 165.248 191.544 219.236 1.00 30.12 C +ATOM 10437 O SER B 138 164.929 192.707 218.977 1.00 24.06 O +ATOM 10438 CB SER B 138 165.803 190.872 221.574 1.00 25.94 C +ATOM 10439 OG SER B 138 164.994 191.915 222.075 1.00 28.09 O +ATOM 10440 H SER B 138 166.869 193.146 220.141 1.00 27.53 H +ATOM 10441 HA SER B 138 166.879 190.489 219.872 1.00 27.54 H +ATOM 10442 HB2 SER B 138 165.265 190.070 221.482 1.00 31.13 H +ATOM 10443 HB3 SER B 138 166.534 190.713 222.191 1.00 31.13 H +ATOM 10444 HG SER B 138 164.682 191.702 222.825 1.00 33.71 H +ATOM 10445 N TRP B 139 164.638 190.494 218.703 1.00 24.79 N +ATOM 10446 CA TRP B 139 163.550 190.678 217.762 1.00 23.90 C +ATOM 10447 C TRP B 139 162.311 191.239 218.451 1.00 25.08 C +ATOM 10448 O TRP B 139 161.523 191.951 217.832 1.00 22.11 O +ATOM 10449 CB TRP B 139 163.199 189.370 217.060 1.00 20.43 C +ATOM 10450 CG TRP B 139 162.351 189.631 215.872 1.00 22.82 C +ATOM 10451 CD1 TRP B 139 160.994 189.529 215.791 1.00 26.04 C +ATOM 10452 CD2 TRP B 139 162.797 190.089 214.595 1.00 17.39 C +ATOM 10453 NE1 TRP B 139 160.569 189.880 214.535 1.00 25.37 N +ATOM 10454 CE2 TRP B 139 161.658 190.228 213.781 1.00 26.36 C +ATOM 10455 CE3 TRP B 139 164.052 190.388 214.059 1.00 26.88 C +ATOM 10456 CZ2 TRP B 139 161.736 190.652 212.460 1.00 26.67 C +ATOM 10457 CZ3 TRP B 139 164.128 190.803 212.749 1.00 20.37 C +ATOM 10458 CH2 TRP B 139 162.977 190.933 211.963 1.00 25.53 C +ATOM 10459 H TRP B 139 164.834 189.673 218.868 1.00 29.74 H +ATOM 10460 HA TRP B 139 163.827 191.314 217.085 1.00 28.68 H +ATOM 10461 HB2 TRP B 139 164.013 188.932 216.766 1.00 24.51 H +ATOM 10462 HB3 TRP B 139 162.707 188.798 217.669 1.00 24.51 H +ATOM 10463 HD1 TRP B 139 160.437 189.258 216.486 1.00 31.25 H +ATOM 10464 HE1 TRP B 139 159.752 189.881 214.265 1.00 30.45 H +ATOM 10465 HE3 TRP B 139 164.820 190.304 214.575 1.00 32.25 H +ATOM 10466 HZ2 TRP B 139 160.974 190.736 211.933 1.00 32.01 H +ATOM 10467 HZ3 TRP B 139 164.958 191.005 212.382 1.00 24.44 H +ATOM 10468 HH2 TRP B 139 163.060 191.217 211.081 1.00 30.63 H +ATOM 10469 N GLU B 140 162.134 190.913 219.727 1.00 27.66 N +ATOM 10470 CA GLU B 140 161.020 191.453 220.494 1.00 28.51 C +ATOM 10471 C GLU B 140 161.154 192.968 220.608 1.00 25.89 C +ATOM 10472 O GLU B 140 160.191 193.701 220.398 1.00 18.29 O +ATOM 10473 CB GLU B 140 160.955 190.817 221.885 1.00 23.44 C +ATOM 10474 CG GLU B 140 159.771 191.268 222.736 1.00 23.64 C +ATOM 10475 CD GLU B 140 158.431 190.791 222.204 1.00 26.95 C +ATOM 10476 OE1 GLU B 140 158.391 189.772 221.484 1.00 31.02 O +ATOM 10477 OE2 GLU B 140 157.409 191.439 222.507 1.00 25.93 O +ATOM 10478 H GLU B 140 162.645 190.382 220.171 1.00 33.19 H +ATOM 10479 HA GLU B 140 160.190 191.256 220.032 1.00 34.21 H +ATOM 10480 HB2 GLU B 140 160.894 189.855 221.784 1.00 28.12 H +ATOM 10481 HB3 GLU B 140 161.766 191.043 222.367 1.00 28.12 H +ATOM 10482 HG2 GLU B 140 159.878 190.916 223.634 1.00 28.37 H +ATOM 10483 HG3 GLU B 140 159.754 192.238 222.762 1.00 28.37 H +ATOM 10484 N ALA B 141 162.356 193.429 220.934 1.00 17.70 N +ATOM 10485 CA ALA B 141 162.603 194.852 221.105 1.00 21.49 C +ATOM 10486 C ALA B 141 162.465 195.607 219.788 1.00 25.83 C +ATOM 10487 O ALA B 141 161.992 196.743 219.768 1.00 27.12 O +ATOM 10488 CB ALA B 141 163.981 195.083 221.702 1.00 22.85 C +ATOM 10489 H ALA B 141 163.048 192.934 221.062 1.00 21.24 H +ATOM 10490 HA ALA B 141 161.948 195.211 221.724 1.00 25.79 H +ATOM 10491 HB1 ALA B 141 164.123 196.037 221.807 1.00 27.42 H +ATOM 10492 HB2 ALA B 141 164.028 194.645 222.566 1.00 27.42 H +ATOM 10493 HB3 ALA B 141 164.649 194.712 221.105 1.00 27.42 H +ATOM 10494 N PHE B 142 162.875 194.982 218.690 1.00 19.35 N +ATOM 10495 CA PHE B 142 162.740 195.616 217.385 1.00 20.04 C +ATOM 10496 C PHE B 142 161.307 195.603 216.863 1.00 20.33 C +ATOM 10497 O PHE B 142 160.812 196.615 216.372 1.00 24.44 O +ATOM 10498 CB PHE B 142 163.628 194.944 216.339 1.00 23.13 C +ATOM 10499 CG PHE B 142 163.149 195.168 214.939 1.00 20.01 C +ATOM 10500 CD1 PHE B 142 163.307 196.402 214.332 1.00 21.57 C +ATOM 10501 CD2 PHE B 142 162.500 194.165 214.245 1.00 16.82 C +ATOM 10502 CE1 PHE B 142 162.844 196.623 213.053 1.00 20.56 C +ATOM 10503 CE2 PHE B 142 162.038 194.382 212.966 1.00 23.60 C +ATOM 10504 CZ PHE B 142 162.208 195.613 212.370 1.00 22.35 C +ATOM 10505 H PHE B 142 163.231 194.200 218.672 1.00 23.22 H +ATOM 10506 HA PHE B 142 163.019 196.542 217.459 1.00 24.05 H +ATOM 10507 HB2 PHE B 142 164.527 195.303 216.410 1.00 27.75 H +ATOM 10508 HB3 PHE B 142 163.640 193.988 216.502 1.00 27.75 H +ATOM 10509 HD1 PHE B 142 163.734 197.089 214.791 1.00 25.88 H +ATOM 10510 HD2 PHE B 142 162.379 193.333 214.643 1.00 20.18 H +ATOM 10511 HE1 PHE B 142 162.963 197.453 212.651 1.00 24.67 H +ATOM 10512 HE2 PHE B 142 161.609 193.697 212.504 1.00 28.32 H +ATOM 10513 HZ PHE B 142 161.900 195.757 211.504 1.00 26.82 H +ATOM 10514 N SER B 143 160.649 194.453 216.957 1.00 21.08 N +ATOM 10515 CA SER B 143 159.398 194.234 216.235 1.00 29.13 C +ATOM 10516 C SER B 143 158.149 194.746 216.953 1.00 21.10 C +ATOM 10517 O SER B 143 157.147 195.035 216.309 1.00 27.04 O +ATOM 10518 CB SER B 143 159.223 192.743 215.940 1.00 27.39 C +ATOM 10519 OG SER B 143 158.925 192.018 217.118 1.00 26.56 O +ATOM 10520 H SER B 143 160.905 193.783 217.431 1.00 25.30 H +ATOM 10521 HA SER B 143 159.452 194.695 215.383 1.00 34.96 H +ATOM 10522 HB2 SER B 143 158.495 192.631 215.309 1.00 32.86 H +ATOM 10523 HB3 SER B 143 160.046 192.399 215.558 1.00 32.86 H +ATOM 10524 HG SER B 143 159.549 192.105 217.674 1.00 31.87 H +ATOM 10525 N ASN B 144 158.205 194.850 218.276 1.00 23.89 N +ATOM 10526 CA ASN B 144 157.024 195.201 219.061 1.00 25.25 C +ATOM 10527 C ASN B 144 156.833 196.715 219.130 1.00 18.97 C +ATOM 10528 O ASN B 144 157.536 197.411 219.860 1.00 18.60 O +ATOM 10529 CB ASN B 144 157.132 194.602 220.466 1.00 21.04 C +ATOM 10530 CG ASN B 144 155.818 194.653 221.239 1.00 28.70 C +ATOM 10531 OD1 ASN B 144 154.978 195.524 221.020 1.00 24.93 O +ATOM 10532 ND2 ASN B 144 155.644 193.706 222.154 1.00 34.85 N +ATOM 10533 H ASN B 144 158.914 194.722 218.745 1.00 28.67 H +ATOM 10534 HA ASN B 144 156.240 194.822 218.635 1.00 30.30 H +ATOM 10535 HB2 ASN B 144 157.400 193.673 220.393 1.00 25.25 H +ATOM 10536 HB3 ASN B 144 157.795 195.099 220.970 1.00 25.25 H +ATOM 10537 HD21 ASN B 144 156.265 193.124 222.278 1.00 41.82 H +ATOM 10538 N LEU B 145 155.867 197.211 218.364 1.00 19.53 N +ATOM 10539 CA LEU B 145 155.658 198.647 218.208 1.00 23.24 C +ATOM 10540 C LEU B 145 154.965 199.292 219.412 1.00 28.02 C +ATOM 10541 O LEU B 145 154.847 200.513 219.480 1.00 28.69 O +ATOM 10542 CB LEU B 145 154.840 198.917 216.945 1.00 30.67 C +ATOM 10543 CG LEU B 145 155.433 198.424 215.620 1.00 32.17 C +ATOM 10544 CD1 LEU B 145 154.424 198.587 214.492 1.00 37.88 C +ATOM 10545 CD2 LEU B 145 156.719 199.161 215.288 1.00 29.10 C +ATOM 10546 H LEU B 145 155.311 196.730 217.917 1.00 23.43 H +ATOM 10547 HA LEU B 145 156.521 199.077 218.099 1.00 27.89 H +ATOM 10548 HB2 LEU B 145 153.975 198.491 217.048 1.00 36.81 H +ATOM 10549 HB3 LEU B 145 154.716 199.876 216.864 1.00 36.81 H +ATOM 10550 HG LEU B 145 155.641 197.480 215.700 1.00 38.61 H +ATOM 10551 HD11 LEU B 145 154.820 198.269 213.666 1.00 45.46 H +ATOM 10552 HD12 LEU B 145 153.631 198.069 214.700 1.00 45.46 H +ATOM 10553 HD13 LEU B 145 154.193 199.526 214.409 1.00 45.46 H +ATOM 10554 HD21 LEU B 145 157.067 198.826 214.447 1.00 34.92 H +ATOM 10555 HD22 LEU B 145 156.529 200.109 215.214 1.00 34.92 H +ATOM 10556 HD23 LEU B 145 157.363 199.007 215.997 1.00 34.92 H +ATOM 10557 N SER B 146 154.515 198.478 220.361 1.00 22.98 N +ATOM 10558 CA SER B 146 153.816 199.003 221.527 1.00 24.21 C +ATOM 10559 C SER B 146 154.785 199.637 222.518 1.00 23.35 C +ATOM 10560 O SER B 146 154.377 200.416 223.372 1.00 24.91 O +ATOM 10561 CB SER B 146 153.011 197.899 222.215 1.00 27.37 C +ATOM 10562 OG SER B 146 151.904 197.516 221.420 1.00 28.95 O +ATOM 10563 H SER B 146 154.600 197.623 220.353 1.00 27.57 H +ATOM 10564 HA SER B 146 153.195 199.689 221.238 1.00 29.05 H +ATOM 10565 HB2 SER B 146 153.584 197.129 222.351 1.00 32.84 H +ATOM 10566 HB3 SER B 146 152.688 198.228 223.068 1.00 32.84 H +ATOM 10567 HG SER B 146 151.470 196.910 221.806 1.00 34.74 H +ATOM 10568 N TYR B 147 156.064 199.292 222.406 1.00 22.98 N +ATOM 10569 CA TYR B 147 157.104 199.881 223.244 1.00 20.52 C +ATOM 10570 C TYR B 147 157.593 201.217 222.704 1.00 20.29 C +ATOM 10571 O TYR B 147 157.744 201.381 221.495 1.00 19.43 O +ATOM 10572 CB TYR B 147 158.324 198.962 223.338 1.00 25.35 C +ATOM 10573 CG TYR B 147 158.208 197.723 224.194 1.00 27.50 C +ATOM 10574 CD1 TYR B 147 158.678 197.715 225.500 1.00 33.98 C +ATOM 10575 CD2 TYR B 147 157.688 196.545 223.679 1.00 28.34 C +ATOM 10576 CE1 TYR B 147 158.604 196.574 226.280 1.00 33.99 C +ATOM 10577 CE2 TYR B 147 157.609 195.401 224.451 1.00 34.41 C +ATOM 10578 CZ TYR B 147 158.071 195.421 225.751 1.00 32.97 C +ATOM 10579 OH TYR B 147 157.998 194.285 226.524 1.00 29.32 O +ATOM 10580 H TYR B 147 156.359 198.712 221.844 1.00 27.58 H +ATOM 10581 HA TYR B 147 156.755 200.021 224.138 1.00 24.63 H +ATOM 10582 HB2 TYR B 147 158.545 198.667 222.442 1.00 30.41 H +ATOM 10583 HB3 TYR B 147 159.062 199.482 223.692 1.00 30.41 H +ATOM 10584 HD1 TYR B 147 159.041 198.492 225.860 1.00 40.77 H +ATOM 10585 HD2 TYR B 147 157.378 196.527 222.803 1.00 34.01 H +ATOM 10586 HE1 TYR B 147 158.914 196.586 227.157 1.00 40.79 H +ATOM 10587 HE2 TYR B 147 157.250 194.621 224.095 1.00 41.29 H +ATOM 10588 HH TYR B 147 158.311 194.438 227.289 1.00 35.18 H +ATOM 10589 N TYR B 148 157.863 202.159 223.601 1.00 21.55 N +ATOM 10590 CA TYR B 148 158.800 203.225 223.289 1.00 16.50 C +ATOM 10591 C TYR B 148 160.167 202.570 223.130 1.00 21.74 C +ATOM 10592 O TYR B 148 160.497 201.649 223.877 1.00 27.80 O +ATOM 10593 CB TYR B 148 158.862 204.282 224.391 1.00 18.56 C +ATOM 10594 CG TYR B 148 157.675 205.210 224.488 1.00 29.04 C +ATOM 10595 CD1 TYR B 148 157.367 206.093 223.463 1.00 21.83 C +ATOM 10596 CD2 TYR B 148 156.888 205.232 225.631 1.00 26.56 C +ATOM 10597 CE1 TYR B 148 156.292 206.952 223.565 1.00 28.13 C +ATOM 10598 CE2 TYR B 148 155.817 206.086 225.741 1.00 27.61 C +ATOM 10599 CZ TYR B 148 155.523 206.947 224.710 1.00 29.02 C +ATOM 10600 OH TYR B 148 154.449 207.797 224.827 1.00 29.09 O +ATOM 10601 H TYR B 148 157.521 202.202 224.388 1.00 25.86 H +ATOM 10602 HA TYR B 148 158.553 203.651 222.454 1.00 19.80 H +ATOM 10603 HB2 TYR B 148 158.945 203.829 225.244 1.00 22.27 H +ATOM 10604 HB3 TYR B 148 159.646 204.833 224.241 1.00 22.27 H +ATOM 10605 HD1 TYR B 148 157.886 206.098 222.691 1.00 26.20 H +ATOM 10606 HD2 TYR B 148 157.085 204.654 226.332 1.00 31.87 H +ATOM 10607 HE1 TYR B 148 156.090 207.535 222.869 1.00 33.75 H +ATOM 10608 HE2 TYR B 148 155.296 206.084 226.511 1.00 33.13 H +ATOM 10609 HH TYR B 148 154.075 207.686 225.571 1.00 34.91 H +ATOM 10610 N THR B 149 160.962 203.029 222.171 1.00 19.70 N +ATOM 10611 CA THR B 149 162.316 202.508 222.015 1.00 20.42 C +ATOM 10612 C THR B 149 163.253 203.269 222.951 1.00 17.62 C +ATOM 10613 O THR B 149 162.829 204.200 223.631 1.00 19.22 O +ATOM 10614 CB THR B 149 162.798 202.600 220.548 1.00 18.85 C +ATOM 10615 OG1 THR B 149 163.929 201.742 220.350 1.00 24.19 O +ATOM 10616 CG2 THR B 149 163.142 204.035 220.158 1.00 17.87 C +ATOM 10617 H THR B 149 160.745 203.636 221.603 1.00 23.65 H +ATOM 10618 HA THR B 149 162.326 201.574 222.275 1.00 24.51 H +ATOM 10619 HB THR B 149 162.080 202.303 219.967 1.00 22.62 H +ATOM 10620 HG1 THR B 149 164.557 201.972 220.859 1.00 29.02 H +ATOM 10621 HG21 THR B 149 163.440 204.065 219.235 1.00 21.45 H +ATOM 10622 HG22 THR B 149 162.360 204.601 220.255 1.00 21.45 H +ATOM 10623 HG23 THR B 149 163.849 204.373 220.729 1.00 21.45 H +ATOM 10624 N ARG B 150 164.515 202.856 222.997 1.00 23.38 N +ATOM 10625 CA ARG B 150 165.482 203.427 223.927 1.00 26.11 C +ATOM 10626 C ARG B 150 166.817 203.763 223.269 1.00 23.07 C +ATOM 10627 O ARG B 150 167.386 202.956 222.535 1.00 26.35 O +ATOM 10628 CB ARG B 150 165.711 202.459 225.087 1.00 22.28 C +ATOM 10629 CG ARG B 150 164.541 202.372 226.042 1.00 17.93 C +ATOM 10630 CD ARG B 150 164.507 203.571 226.969 1.00 22.72 C +ATOM 10631 NE ARG B 150 165.484 203.438 228.045 1.00 29.85 N +ATOM 10632 CZ ARG B 150 165.253 202.819 229.198 1.00 25.68 C +ATOM 10633 NH1 ARG B 150 164.070 202.272 229.445 1.00 24.19 N +ATOM 10634 NH2 ARG B 150 166.209 202.745 230.112 1.00 27.03 N +ATOM 10635 H ARG B 150 164.840 202.239 222.493 1.00 28.05 H +ATOM 10636 HA ARG B 150 165.117 204.248 224.293 1.00 31.33 H +ATOM 10637 HB2 ARG B 150 165.870 201.572 224.729 1.00 26.74 H +ATOM 10638 HB3 ARG B 150 166.486 202.753 225.592 1.00 26.74 H +ATOM 10639 HG2 ARG B 150 163.714 202.353 225.536 1.00 21.51 H +ATOM 10640 HG3 ARG B 150 164.625 201.570 226.581 1.00 21.51 H +ATOM 10641 HD2 ARG B 150 164.717 204.373 226.465 1.00 27.26 H +ATOM 10642 HD3 ARG B 150 163.625 203.645 227.366 1.00 27.26 H +ATOM 10643 HE ARG B 150 166.262 203.784 227.925 1.00 35.82 H +ATOM 10644 HH11 ARG B 150 163.445 202.315 228.855 1.00 29.03 H +ATOM 10645 HH12 ARG B 150 163.928 201.874 230.194 1.00 29.03 H +ATOM 10646 HH21 ARG B 150 166.977 203.099 229.959 1.00 32.44 H +ATOM 10647 HH22 ARG B 150 166.059 202.348 230.860 1.00 32.44 H +ATOM 10648 N ALA B 151 167.305 204.969 223.541 1.00 20.89 N +ATOM 10649 CA ALA B 151 168.586 205.421 223.022 1.00 27.47 C +ATOM 10650 C ALA B 151 169.719 204.767 223.799 1.00 29.20 C +ATOM 10651 O ALA B 151 170.745 204.398 223.226 1.00 32.73 O +ATOM 10652 CB ALA B 151 168.689 206.934 223.097 1.00 25.45 C +ATOM 10653 H ALA B 151 166.906 205.550 224.033 1.00 25.07 H +ATOM 10654 HA ALA B 151 168.664 205.157 222.091 1.00 32.96 H +ATOM 10655 HB1 ALA B 151 169.550 207.210 222.746 1.00 30.54 H +ATOM 10656 HB2 ALA B 151 167.975 207.326 222.570 1.00 30.54 H +ATOM 10657 HB3 ALA B 151 168.606 207.210 224.024 1.00 30.54 H +ATOM 10658 N LEU B 152 169.526 204.635 225.108 1.00 22.59 N +ATOM 10659 CA LEU B 152 170.434 203.866 225.951 1.00 30.34 C +ATOM 10660 C LEU B 152 169.687 202.687 226.558 1.00 29.59 C +ATOM 10661 O LEU B 152 168.531 202.825 226.957 1.00 26.07 O +ATOM 10662 CB LEU B 152 171.035 204.736 227.058 1.00 32.20 C +ATOM 10663 CG LEU B 152 172.259 205.588 226.704 1.00 31.37 C +ATOM 10664 CD1 LEU B 152 172.667 206.438 227.898 1.00 26.73 C +ATOM 10665 CD2 LEU B 152 173.431 204.724 226.243 1.00 28.30 C +ATOM 10666 H LEU B 152 168.868 204.985 225.536 1.00 27.11 H +ATOM 10667 HA LEU B 152 171.160 203.520 225.408 1.00 36.41 H +ATOM 10668 HB2 LEU B 152 170.346 205.345 227.368 1.00 38.64 H +ATOM 10669 HB3 LEU B 152 171.297 204.154 227.788 1.00 38.64 H +ATOM 10670 HG LEU B 152 172.026 206.187 225.977 1.00 37.64 H +ATOM 10671 HD11 LEU B 152 173.442 206.969 227.656 1.00 32.07 H +ATOM 10672 HD12 LEU B 152 171.929 207.018 228.138 1.00 32.07 H +ATOM 10673 HD13 LEU B 152 172.885 205.853 228.641 1.00 32.07 H +ATOM 10674 HD21 LEU B 152 174.182 205.299 226.030 1.00 33.96 H +ATOM 10675 HD22 LEU B 152 173.673 204.115 226.958 1.00 33.96 H +ATOM 10676 HD23 LEU B 152 173.163 204.223 225.457 1.00 33.96 H +ATOM 10677 N PRO B 153 170.340 201.517 226.628 1.00 31.87 N +ATOM 10678 CA PRO B 153 169.654 200.352 227.193 1.00 30.41 C +ATOM 10679 C PRO B 153 169.339 200.536 228.674 1.00 30.75 C +ATOM 10680 O PRO B 153 170.011 201.323 229.340 1.00 31.09 O +ATOM 10681 CB PRO B 153 170.659 199.213 226.982 1.00 31.41 C +ATOM 10682 CG PRO B 153 171.986 199.885 226.872 1.00 31.00 C +ATOM 10683 CD PRO B 153 171.718 201.202 226.214 1.00 31.04 C +ATOM 10684 HA PRO B 153 168.838 200.163 226.705 1.00 36.49 H +ATOM 10685 HB2 PRO B 153 170.639 198.614 227.745 1.00 37.69 H +ATOM 10686 HB3 PRO B 153 170.446 198.737 226.165 1.00 37.69 H +ATOM 10687 HG2 PRO B 153 172.360 200.015 227.757 1.00 37.20 H +ATOM 10688 HG3 PRO B 153 172.580 199.345 226.326 1.00 37.20 H +ATOM 10689 HD2 PRO B 153 172.333 201.876 226.544 1.00 37.25 H +ATOM 10690 HD3 PRO B 153 171.770 201.115 225.249 1.00 37.25 H +ATOM 10691 N PRO B 154 168.322 199.824 229.184 1.00 30.55 N +ATOM 10692 CA PRO B 154 168.015 199.877 230.616 1.00 40.36 C +ATOM 10693 C PRO B 154 169.163 199.368 231.470 1.00 42.10 C +ATOM 10694 O PRO B 154 169.942 198.527 231.021 1.00 43.12 O +ATOM 10695 CB PRO B 154 166.791 198.964 230.751 1.00 26.95 C +ATOM 10696 CG PRO B 154 166.836 198.084 229.556 1.00 37.76 C +ATOM 10697 CD PRO B 154 167.405 198.927 228.464 1.00 34.72 C +ATOM 10698 HA PRO B 154 167.781 200.780 230.884 1.00 48.43 H +ATOM 10699 HB2 PRO B 154 166.860 198.441 231.565 1.00 32.35 H +ATOM 10700 HB3 PRO B 154 165.982 199.499 230.753 1.00 32.35 H +ATOM 10701 HG2 PRO B 154 167.408 197.321 229.733 1.00 45.31 H +ATOM 10702 HG3 PRO B 154 165.938 197.793 229.331 1.00 45.31 H +ATOM 10703 HD2 PRO B 154 167.894 198.378 227.831 1.00 41.67 H +ATOM 10704 HD3 PRO B 154 166.704 199.436 228.028 1.00 41.67 H +ATOM 10705 N VAL B 155 169.266 199.881 232.687 1.00 49.91 N +ATOM 10706 CA VAL B 155 170.234 199.369 233.643 1.00 48.11 C +ATOM 10707 C VAL B 155 169.837 197.932 233.975 1.00 45.15 C +ATOM 10708 O VAL B 155 168.660 197.662 234.203 1.00 48.90 O +ATOM 10709 CB VAL B 155 170.282 200.222 234.923 1.00 44.26 C +ATOM 10710 CG1 VAL B 155 171.362 199.715 235.866 1.00 55.93 C +ATOM 10711 CG2 VAL B 155 170.528 201.682 234.575 1.00 36.52 C +ATOM 10712 H VAL B 155 168.785 200.529 232.985 1.00 59.89 H +ATOM 10713 HA VAL B 155 171.117 199.362 233.242 1.00 57.74 H +ATOM 10714 HB VAL B 155 169.429 200.160 235.379 1.00 53.11 H +ATOM 10715 HG11 VAL B 155 171.371 200.268 236.662 1.00 67.12 H +ATOM 10716 HG12 VAL B 155 171.166 198.795 236.104 1.00 67.12 H +ATOM 10717 HG13 VAL B 155 172.221 199.764 235.417 1.00 67.12 H +ATOM 10718 HG21 VAL B 155 170.555 202.201 235.394 1.00 43.82 H +ATOM 10719 HG22 VAL B 155 171.375 201.757 234.107 1.00 43.82 H +ATOM 10720 HG23 VAL B 155 169.807 201.996 234.007 1.00 43.82 H +ATOM 10721 N PRO B 156 170.804 196.997 233.981 1.00 42.93 N +ATOM 10722 CA PRO B 156 170.468 195.605 234.310 1.00 56.70 C +ATOM 10723 C PRO B 156 169.768 195.465 235.664 1.00 65.41 C +ATOM 10724 O PRO B 156 169.994 196.275 236.562 1.00 62.54 O +ATOM 10725 CB PRO B 156 171.832 194.912 234.319 1.00 62.50 C +ATOM 10726 CG PRO B 156 172.662 195.722 233.393 1.00 49.03 C +ATOM 10727 CD PRO B 156 172.214 197.136 233.574 1.00 44.39 C +ATOM 10728 HA PRO B 156 169.912 195.216 233.616 1.00 68.04 H +ATOM 10729 HB2 PRO B 156 172.201 194.925 235.216 1.00 75.00 H +ATOM 10730 HB3 PRO B 156 171.741 194.002 233.995 1.00 75.00 H +ATOM 10731 HG2 PRO B 156 173.598 195.628 233.631 1.00 58.84 H +ATOM 10732 HG3 PRO B 156 172.511 195.430 232.481 1.00 58.84 H +ATOM 10733 HD2 PRO B 156 172.727 197.567 234.275 1.00 53.27 H +ATOM 10734 HD3 PRO B 156 172.277 197.621 232.736 1.00 53.27 H +ATOM 10735 N ASP B 157 168.924 194.446 235.795 1.00 58.11 N +ATOM 10736 CA ASP B 157 168.105 194.264 236.991 1.00 80.78 C +ATOM 10737 C ASP B 157 168.930 194.070 238.263 1.00 89.47 C +ATOM 10738 O ASP B 157 168.525 194.501 239.343 1.00 61.39 O +ATOM 10739 CB ASP B 157 167.173 193.062 236.807 1.00 80.58 C +ATOM 10740 CG ASP B 157 165.915 193.408 236.033 1.00 88.98 C +ATOM 10741 OD1 ASP B 157 165.922 194.413 235.292 1.00 83.29 O +ATOM 10742 OD2 ASP B 157 164.916 192.668 236.165 1.00 88.67 O +ATOM 10743 H ASP B 157 168.806 193.839 235.198 1.00 69.73 H +ATOM 10744 HA ASP B 157 167.552 195.052 237.114 1.00 96.94 H +ATOM 10745 HB2 ASP B 157 167.644 192.369 236.319 1.00 96.69 H +ATOM 10746 HB3 ASP B 157 166.907 192.732 237.679 1.00 96.69 H +ATOM 10747 N ASP B 158 170.086 193.429 238.126 1.00 73.87 N +ATOM 10748 CA ASP B 158 170.877 193.001 239.279 1.00 65.90 C +ATOM 10749 C ASP B 158 172.150 193.826 239.464 1.00 72.20 C +ATOM 10750 O ASP B 158 173.253 193.277 239.479 1.00 84.61 O +ATOM 10751 CB ASP B 158 171.243 191.522 239.135 1.00 83.71 C +ATOM 10752 CG ASP B 158 172.003 191.234 237.855 1.00 94.60 C +ATOM 10753 OD1 ASP B 158 171.707 191.883 236.829 1.00 93.92 O +ATOM 10754 OD2 ASP B 158 172.901 190.367 237.877 1.00 99.60 O +ATOM 10755 H ASP B 158 170.439 193.226 237.369 1.00 88.64 H +ATOM 10756 HA ASP B 158 170.340 193.099 240.081 1.00 79.08 H +ATOM 10757 HB2 ASP B 158 171.802 191.260 239.883 1.00100.46 H +ATOM 10758 HB3 ASP B 158 170.429 190.994 239.126 1.00100.46 H +ATOM 10759 N CYS B 159 171.997 195.136 239.623 1.00 66.14 N +ATOM 10760 CA CYS B 159 173.144 196.021 239.799 1.00 60.04 C +ATOM 10761 C CYS B 159 173.263 196.490 241.248 1.00 55.48 C +ATOM 10762 O CYS B 159 172.267 196.548 241.969 1.00 52.29 O +ATOM 10763 CB CYS B 159 173.035 197.220 238.858 1.00 68.33 C +ATOM 10764 SG CYS B 159 173.158 196.784 237.108 1.00 59.36 S +ATOM 10765 H CYS B 159 171.237 195.539 239.633 1.00 79.37 H +ATOM 10766 HA CYS B 159 173.953 195.536 239.574 1.00 72.05 H +ATOM 10767 HB2 CYS B 159 172.177 197.651 238.998 1.00 81.99 H +ATOM 10768 HB3 CYS B 159 173.752 197.842 239.060 1.00 81.99 H +ATOM 10769 N PRO B 160 174.489 196.822 241.685 1.00 52.03 N +ATOM 10770 CA PRO B 160 174.708 197.257 243.071 1.00 50.53 C +ATOM 10771 C PRO B 160 174.033 198.588 243.407 1.00 52.25 C +ATOM 10772 O PRO B 160 173.768 198.847 244.579 1.00 68.74 O +ATOM 10773 CB PRO B 160 176.236 197.373 243.168 1.00 47.91 C +ATOM 10774 CG PRO B 160 176.716 197.479 241.774 1.00 41.26 C +ATOM 10775 CD PRO B 160 175.751 196.715 240.935 1.00 51.22 C +ATOM 10776 HA PRO B 160 174.399 196.576 243.690 1.00 60.64 H +ATOM 10777 HB2 PRO B 160 176.470 198.169 243.671 1.00 57.49 H +ATOM 10778 HB3 PRO B 160 176.596 196.580 243.595 1.00 57.49 H +ATOM 10779 HG2 PRO B 160 176.732 198.411 241.508 1.00 49.51 H +ATOM 10780 HG3 PRO B 160 177.603 197.091 241.708 1.00 49.51 H +ATOM 10781 HD2 PRO B 160 175.661 197.128 240.061 1.00 61.46 H +ATOM 10782 HD3 PRO B 160 176.024 195.787 240.863 1.00 61.46 H +ATOM 10783 N THR B 161 173.770 199.417 242.399 1.00 57.52 N +ATOM 10784 CA THR B 161 172.979 200.629 242.588 1.00 51.01 C +ATOM 10785 C THR B 161 171.968 200.731 241.452 1.00 52.25 C +ATOM 10786 O THR B 161 172.166 200.135 240.395 1.00 55.58 O +ATOM 10787 CB THR B 161 173.849 201.905 242.624 1.00 54.34 C +ATOM 10788 OG1 THR B 161 174.169 202.313 241.289 1.00 52.02 O +ATOM 10789 CG2 THR B 161 175.132 201.671 243.410 1.00 58.13 C +ATOM 10790 H THR B 161 174.041 199.299 241.592 1.00 69.03 H +ATOM 10791 HA THR B 161 172.493 200.568 243.425 1.00 61.21 H +ATOM 10792 HB THR B 161 173.353 202.614 243.062 1.00 65.21 H +ATOM 10793 HG1 THR B 161 174.642 203.007 241.306 1.00 62.43 H +ATOM 10794 HG21 THR B 161 175.666 202.481 243.423 1.00 69.76 H +ATOM 10795 HG22 THR B 161 174.920 201.419 244.323 1.00 69.76 H +ATOM 10796 HG23 THR B 161 175.648 200.960 242.999 1.00 69.76 H +ATOM 10797 N PRO B 162 170.871 201.474 241.666 1.00 55.15 N +ATOM 10798 CA PRO B 162 169.823 201.548 240.640 1.00 68.31 C +ATOM 10799 C PRO B 162 170.284 202.140 239.306 1.00 54.56 C +ATOM 10800 O PRO B 162 169.599 201.946 238.303 1.00 58.14 O +ATOM 10801 CB PRO B 162 168.753 202.441 241.289 1.00 63.81 C +ATOM 10802 CG PRO B 162 169.404 203.077 242.467 1.00 56.19 C +ATOM 10803 CD PRO B 162 170.473 202.150 242.912 1.00 50.46 C +ATOM 10804 HA PRO B 162 169.448 200.667 240.483 1.00 81.97 H +ATOM 10805 HB2 PRO B 162 168.465 203.116 240.653 1.00 76.57 H +ATOM 10806 HB3 PRO B 162 168.001 201.895 241.569 1.00 76.57 H +ATOM 10807 HG2 PRO B 162 169.784 203.930 242.204 1.00 67.42 H +ATOM 10808 HG3 PRO B 162 168.748 203.201 243.170 1.00 67.42 H +ATOM 10809 HD2 PRO B 162 171.220 202.646 243.282 1.00 60.55 H +ATOM 10810 HD3 PRO B 162 170.121 201.507 243.548 1.00 60.55 H +ATOM 10811 N LEU B 163 171.418 202.837 239.289 1.00 51.04 N +ATOM 10812 CA LEU B 163 171.932 203.440 238.058 1.00 49.70 C +ATOM 10813 C LEU B 163 173.157 202.709 237.515 1.00 41.37 C +ATOM 10814 O LEU B 163 173.722 203.109 236.501 1.00 35.94 O +ATOM 10815 CB LEU B 163 172.271 204.915 238.289 1.00 43.81 C +ATOM 10816 CG LEU B 163 171.083 205.859 238.503 1.00 44.53 C +ATOM 10817 CD1 LEU B 163 171.573 207.271 238.767 1.00 45.59 C +ATOM 10818 CD2 LEU B 163 170.145 205.843 237.307 1.00 47.78 C +ATOM 10819 H LEU B 163 171.911 202.976 239.980 1.00 61.25 H +ATOM 10820 HA LEU B 163 171.239 203.399 237.379 1.00 59.64 H +ATOM 10821 HB2 LEU B 163 172.834 204.978 239.077 1.00 52.57 H +ATOM 10822 HB3 LEU B 163 172.761 205.239 237.517 1.00 52.57 H +ATOM 10823 HG LEU B 163 170.582 205.565 239.280 1.00 53.43 H +ATOM 10824 HD11 LEU B 163 170.807 207.851 238.899 1.00 54.71 H +ATOM 10825 HD12 LEU B 163 172.128 207.269 239.562 1.00 54.71 H +ATOM 10826 HD13 LEU B 163 172.090 207.573 238.004 1.00 54.71 H +ATOM 10827 HD21 LEU B 163 169.408 206.449 237.477 1.00 57.33 H +ATOM 10828 HD22 LEU B 163 170.634 206.129 236.520 1.00 57.33 H +ATOM 10829 HD23 LEU B 163 169.811 204.941 237.181 1.00 57.33 H +ATOM 10830 N GLY B 164 173.554 201.634 238.185 1.00 49.86 N +ATOM 10831 CA GLY B 164 174.712 200.860 237.778 1.00 56.21 C +ATOM 10832 C GLY B 164 175.625 200.580 238.953 1.00 53.48 C +ATOM 10833 O GLY B 164 175.479 199.565 239.630 1.00 58.45 O +ATOM 10834 H GLY B 164 173.162 201.330 238.888 1.00 59.83 H +ATOM 10835 HA2 GLY B 164 174.425 200.015 237.399 1.00 67.45 H +ATOM 10836 HA3 GLY B 164 175.212 201.349 237.106 1.00 67.45 H +ATOM 10837 N VAL B 165 176.567 201.486 239.198 1.00 51.78 N +ATOM 10838 CA VAL B 165 177.476 201.362 240.332 1.00 52.19 C +ATOM 10839 C VAL B 165 177.676 202.692 241.058 1.00 54.08 C +ATOM 10840 O VAL B 165 178.170 202.717 242.184 1.00 64.27 O +ATOM 10841 CB VAL B 165 178.850 200.817 239.892 1.00 40.15 C +ATOM 10842 CG1 VAL B 165 178.708 199.406 239.337 1.00 36.83 C +ATOM 10843 CG2 VAL B 165 179.490 201.734 238.865 1.00 43.56 C +ATOM 10844 H VAL B 165 176.702 202.187 238.717 1.00 62.14 H +ATOM 10845 HA VAL B 165 177.097 200.733 240.967 1.00 62.63 H +ATOM 10846 HB VAL B 165 179.436 200.777 240.664 1.00 48.18 H +ATOM 10847 HG11 VAL B 165 179.582 199.084 239.067 1.00 44.20 H +ATOM 10848 HG12 VAL B 165 178.341 198.832 240.027 1.00 44.20 H +ATOM 10849 HG13 VAL B 165 178.112 199.427 238.572 1.00 44.20 H +ATOM 10850 HG21 VAL B 165 180.350 201.368 238.607 1.00 52.27 H +ATOM 10851 HG22 VAL B 165 178.909 201.793 238.090 1.00 52.27 H +ATOM 10852 HG23 VAL B 165 179.608 202.613 239.257 1.00 52.27 H +ATOM 10853 N LYS B 166 177.290 203.790 240.416 1.00 51.06 N +ATOM 10854 CA LYS B 166 177.423 205.114 241.015 1.00 42.95 C +ATOM 10855 C LYS B 166 176.211 205.467 241.873 1.00 44.37 C +ATOM 10856 O LYS B 166 175.118 204.942 241.671 1.00 41.93 O +ATOM 10857 CB LYS B 166 177.609 206.182 239.928 1.00 51.35 C +ATOM 10858 CG LYS B 166 178.837 205.998 239.043 1.00 49.81 C +ATOM 10859 CD LYS B 166 180.070 205.627 239.854 1.00 52.55 C +ATOM 10860 CE LYS B 166 181.344 206.154 239.225 1.00 51.92 C +ATOM 10861 NZ LYS B 166 181.648 207.529 239.708 1.00 73.22 N +ATOM 10862 H LYS B 166 176.947 203.796 239.628 1.00 61.28 H +ATOM 10863 HA LYS B 166 178.208 205.126 241.584 1.00 51.54 H +ATOM 10864 HB2 LYS B 166 176.830 206.172 239.350 1.00 61.62 H +ATOM 10865 HB3 LYS B 166 177.685 207.048 240.357 1.00 61.62 H +ATOM 10866 HG2 LYS B 166 178.668 205.287 238.406 1.00 59.77 H +ATOM 10867 HG3 LYS B 166 179.021 206.829 238.577 1.00 59.77 H +ATOM 10868 HD2 LYS B 166 179.993 206.006 240.743 1.00 63.06 H +ATOM 10869 HD3 LYS B 166 180.137 204.661 239.907 1.00 63.06 H +ATOM 10870 HE2 LYS B 166 182.085 205.575 239.465 1.00 62.30 H +ATOM 10871 HE3 LYS B 166 181.239 206.185 238.261 1.00 62.30 H +ATOM 10872 HZ1 LYS B 166 182.397 207.825 239.330 1.00 87.86 H +ATOM 10873 HZ2 LYS B 166 180.981 208.079 239.496 1.00 87.86 H +ATOM 10874 HZ3 LYS B 166 181.751 207.525 240.592 1.00 87.86 H +ATOM 10875 N GLY B 167 176.422 206.363 242.831 1.00 56.32 N +ATOM 10876 CA GLY B 167 175.352 206.836 243.688 1.00 52.37 C +ATOM 10877 C GLY B 167 175.056 205.892 244.836 1.00 66.12 C +ATOM 10878 O GLY B 167 175.629 204.805 244.927 1.00 60.81 O +ATOM 10879 H GLY B 167 177.187 206.715 243.003 1.00 67.59 H +ATOM 10880 HA2 GLY B 167 175.595 207.700 244.058 1.00 62.84 H +ATOM 10881 HA3 GLY B 167 174.543 206.944 243.164 1.00 62.84 H +ATOM 10882 N LYS B 168 174.153 206.311 245.716 1.00 80.21 N +ATOM 10883 CA LYS B 168 173.767 205.511 246.871 1.00 62.07 C +ATOM 10884 C LYS B 168 172.952 204.294 246.444 1.00 53.22 C +ATOM 10885 O LYS B 168 172.651 204.122 245.264 1.00 59.41 O +ATOM 10886 CB LYS B 168 172.969 206.359 247.863 1.00 59.73 C +ATOM 10887 CG LYS B 168 173.684 207.625 248.309 1.00 48.13 C +ATOM 10888 H LYS B 168 173.744 207.066 245.665 1.00 96.26 H +ATOM 10889 HA LYS B 168 174.567 205.196 247.320 1.00 74.49 H +ATOM 10890 HB2 LYS B 168 172.133 206.622 247.446 1.00 71.68 H +ATOM 10891 HB3 LYS B 168 172.788 205.826 248.653 1.00 71.68 H +ATOM 10892 N LYS B 169 172.599 203.453 247.411 1.00 52.89 N +ATOM 10893 CA LYS B 169 171.846 202.234 247.132 1.00 50.37 C +ATOM 10894 C LYS B 169 170.398 202.549 246.760 1.00 52.90 C +ATOM 10895 O LYS B 169 169.751 201.781 246.051 1.00 45.94 O +ATOM 10896 CB LYS B 169 171.883 201.296 248.340 1.00 49.26 C +ATOM 10897 H LYS B 169 172.784 203.566 248.244 1.00 63.47 H +ATOM 10898 HA LYS B 169 172.255 201.775 246.382 1.00 60.44 H +ATOM 10899 N GLN B 170 169.897 203.675 247.260 1.00 52.54 N +ATOM 10900 CA GLN B 170 168.560 204.154 246.921 1.00 56.45 C +ATOM 10901 C GLN B 170 168.632 205.578 246.392 1.00 63.53 C +ATOM 10902 O GLN B 170 169.378 206.407 246.913 1.00 62.27 O +ATOM 10903 CB GLN B 170 167.631 204.097 248.136 1.00 53.34 C +ATOM 10904 CG GLN B 170 167.259 202.679 248.572 1.00 71.99 C +ATOM 10905 CD GLN B 170 167.751 202.316 249.965 1.00 94.64 C +ATOM 10906 OE1 GLN B 170 168.583 203.009 250.552 1.00 81.19 O +ATOM 10907 NE2 GLN B 170 167.234 201.214 250.501 1.00 92.62 N +ATOM 10908 H GLN B 170 170.319 204.188 247.807 1.00 63.05 H +ATOM 10909 HA GLN B 170 168.185 203.591 246.226 1.00 67.74 H +ATOM 10910 HB2 GLN B 170 168.069 204.531 248.884 1.00 64.00 H +ATOM 10911 HB3 GLN B 170 166.809 204.565 247.921 1.00 64.00 H +ATOM 10912 HG2 GLN B 170 166.293 202.594 248.567 1.00 86.39 H +ATOM 10913 HG3 GLN B 170 167.649 202.048 247.946 1.00 86.39 H +ATOM 10914 HE21 GLN B 170 166.656 200.753 250.063 1.00111.14 H +ATOM 10915 HE22 GLN B 170 167.477 200.963 251.287 1.00111.14 H +ATOM 10916 N LEU B 171 167.856 205.856 245.351 1.00 76.94 N +ATOM 10917 CA LEU B 171 167.808 207.192 244.775 1.00 68.43 C +ATOM 10918 C LEU B 171 167.077 208.148 245.712 1.00 51.93 C +ATOM 10919 O LEU B 171 166.321 207.711 246.578 1.00 54.09 O +ATOM 10920 CB LEU B 171 167.125 207.158 243.407 1.00 65.10 C +ATOM 10921 CG LEU B 171 167.895 206.411 242.316 1.00 63.42 C +ATOM 10922 CD1 LEU B 171 166.996 206.132 241.123 1.00 52.94 C +ATOM 10923 CD2 LEU B 171 169.122 207.204 241.887 1.00 49.62 C +ATOM 10924 H LEU B 171 167.346 205.285 244.959 1.00 92.33 H +ATOM 10925 HA LEU B 171 168.713 207.520 244.654 1.00 82.12 H +ATOM 10926 HB2 LEU B 171 166.262 206.725 243.504 1.00 78.12 H +ATOM 10927 HB3 LEU B 171 166.999 208.070 243.103 1.00 78.12 H +ATOM 10928 HG LEU B 171 168.197 205.560 242.669 1.00 76.10 H +ATOM 10929 HD11 LEU B 171 167.507 205.659 240.447 1.00 63.53 H +ATOM 10930 HD12 LEU B 171 166.247 205.589 241.413 1.00 63.53 H +ATOM 10931 HD13 LEU B 171 166.676 206.975 240.766 1.00 63.53 H +ATOM 10932 HD21 LEU B 171 169.591 206.710 241.196 1.00 59.55 H +ATOM 10933 HD22 LEU B 171 168.837 208.065 241.543 1.00 59.55 H +ATOM 10934 HD23 LEU B 171 169.701 207.330 242.655 1.00 59.55 H +ATOM 10935 N PRO B 172 167.301 209.460 245.543 1.00 45.46 N +ATOM 10936 CA PRO B 172 166.623 210.447 246.391 1.00 43.61 C +ATOM 10937 C PRO B 172 165.106 210.365 246.277 1.00 53.08 C +ATOM 10938 O PRO B 172 164.589 209.949 245.241 1.00 59.13 O +ATOM 10939 CB PRO B 172 167.126 211.790 245.853 1.00 45.30 C +ATOM 10940 CG PRO B 172 168.327 211.480 245.045 1.00 46.68 C +ATOM 10941 CD PRO B 172 168.182 210.091 244.547 1.00 52.45 C +ATOM 10942 HA PRO B 172 166.889 210.345 247.318 1.00 52.34 H +ATOM 10943 HB2 PRO B 172 166.439 212.197 245.302 1.00 54.36 H +ATOM 10944 HB3 PRO B 172 167.356 212.371 246.595 1.00 54.36 H +ATOM 10945 HG2 PRO B 172 168.380 212.099 244.301 1.00 56.01 H +ATOM 10946 HG3 PRO B 172 169.116 211.556 245.603 1.00 56.01 H +ATOM 10947 HD2 PRO B 172 167.762 210.087 243.673 1.00 62.94 H +ATOM 10948 HD3 PRO B 172 169.045 209.647 244.529 1.00 62.94 H +ATOM 10949 N ASP B 173 164.408 210.764 247.333 1.00 52.15 N +ATOM 10950 CA ASP B 173 162.952 210.803 247.315 1.00 55.14 C +ATOM 10951 C ASP B 173 162.469 211.712 246.187 1.00 53.96 C +ATOM 10952 O ASP B 173 162.929 212.847 246.055 1.00 46.53 O +ATOM 10953 CB ASP B 173 162.416 211.289 248.663 1.00 54.01 C +ATOM 10954 CG ASP B 173 160.924 211.080 248.806 1.00 59.52 C +ATOM 10955 OD1 ASP B 173 160.521 210.054 249.393 1.00 66.20 O +ATOM 10956 OD2 ASP B 173 160.153 211.940 248.331 1.00 62.77 O +ATOM 10957 H ASP B 173 164.756 211.018 248.077 1.00 62.58 H +ATOM 10958 HA ASP B 173 162.610 209.910 247.155 1.00 66.16 H +ATOM 10959 HB2 ASP B 173 162.858 210.798 249.375 1.00 64.82 H +ATOM 10960 HB3 ASP B 173 162.597 212.238 248.752 1.00 64.82 H +ATOM 10961 N SER B 174 161.554 211.196 245.371 1.00 49.36 N +ATOM 10962 CA SER B 174 161.018 211.931 244.229 1.00 54.41 C +ATOM 10963 C SER B 174 160.498 213.306 244.629 1.00 58.98 C +ATOM 10964 O SER B 174 160.826 214.313 244.003 1.00 50.59 O +ATOM 10965 CB SER B 174 159.890 211.137 243.568 1.00 49.58 C +ATOM 10966 OG SER B 174 160.339 209.861 243.155 1.00 76.76 O +ATOM 10967 H SER B 174 161.221 210.408 245.461 1.00 59.24 H +ATOM 10968 HA SER B 174 161.722 212.055 243.574 1.00 65.29 H +ATOM 10969 HB2 SER B 174 159.167 211.026 244.206 1.00 59.50 H +ATOM 10970 HB3 SER B 174 159.574 211.626 242.792 1.00 59.50 H +ATOM 10971 HG SER B 174 160.965 209.942 242.602 1.00 92.11 H +ATOM 10972 N ASN B 175 159.686 213.334 245.680 1.00 63.07 N +ATOM 10973 CA ASN B 175 159.050 214.562 246.134 1.00 57.90 C +ATOM 10974 C ASN B 175 160.067 215.576 246.652 1.00 54.35 C +ATOM 10975 O ASN B 175 159.885 216.781 246.487 1.00 47.71 O +ATOM 10976 CB ASN B 175 158.020 214.240 247.217 1.00 63.98 C +ATOM 10977 CG ASN B 175 157.097 215.404 247.508 1.00 79.29 C +ATOM 10978 OD1 ASN B 175 156.247 215.756 246.690 1.00 73.41 O +ATOM 10979 ND2 ASN B 175 157.248 216.000 248.684 1.00 89.02 N +ATOM 10980 H ASN B 175 159.486 212.644 246.152 1.00 75.68 H +ATOM 10981 HA ASN B 175 158.581 214.966 245.387 1.00 69.47 H +ATOM 10982 HB2 ASN B 175 157.477 213.492 246.925 1.00 76.77 H +ATOM 10983 HB3 ASN B 175 158.485 214.014 248.038 1.00 76.77 H +ATOM 10984 HD21 ASN B 175 156.747 216.666 248.896 1.00106.82 H +ATOM 10985 HD22 ASN B 175 157.847 215.720 249.234 1.00106.82 H +ATOM 10986 N GLU B 176 161.135 215.087 247.276 1.00 50.74 N +ATOM 10987 CA GLU B 176 162.204 215.961 247.747 1.00 52.27 C +ATOM 10988 C GLU B 176 162.852 216.706 246.585 1.00 56.09 C +ATOM 10989 O GLU B 176 163.058 217.916 246.658 1.00 54.37 O +ATOM 10990 CB GLU B 176 163.270 215.167 248.507 1.00 59.30 C +ATOM 10991 CG GLU B 176 163.001 215.020 249.999 1.00 68.04 C +ATOM 10992 CD GLU B 176 164.269 214.797 250.804 1.00 88.22 C +ATOM 10993 OE1 GLU B 176 165.231 215.577 250.634 1.00 67.07 O +ATOM 10994 OE2 GLU B 176 164.302 213.844 251.612 1.00 82.38 O +ATOM 10995 H GLU B 176 161.264 214.253 247.438 1.00 60.89 H +ATOM 10996 HA GLU B 176 161.830 216.619 248.354 1.00 62.73 H +ATOM 10997 HB2 GLU B 176 163.322 214.276 248.128 1.00 71.16 H +ATOM 10998 HB3 GLU B 176 164.123 215.617 248.405 1.00 71.16 H +ATOM 10999 HG2 GLU B 176 162.577 215.829 250.325 1.00 81.64 H +ATOM 11000 HG3 GLU B 176 162.417 214.258 250.141 1.00 81.64 H +ATOM 11001 N ILE B 177 163.177 215.976 245.522 1.00 57.51 N +ATOM 11002 CA ILE B 177 163.793 216.563 244.338 1.00 56.34 C +ATOM 11003 C ILE B 177 162.902 217.657 243.761 1.00 53.45 C +ATOM 11004 O ILE B 177 163.363 218.765 243.488 1.00 46.61 O +ATOM 11005 CB ILE B 177 164.065 215.491 243.257 1.00 61.36 C +ATOM 11006 CG1 ILE B 177 165.186 214.556 243.711 1.00 50.42 C +ATOM 11007 CG2 ILE B 177 164.450 216.132 241.919 1.00 57.93 C +ATOM 11008 CD1 ILE B 177 165.228 213.250 242.954 1.00 55.15 C +ATOM 11009 H ILE B 177 163.049 215.127 245.462 1.00 69.01 H +ATOM 11010 HA ILE B 177 164.641 216.964 244.586 1.00 67.60 H +ATOM 11011 HB ILE B 177 163.258 214.968 243.129 1.00 73.64 H +ATOM 11012 HG12 ILE B 177 166.037 215.002 243.581 1.00 60.51 H +ATOM 11013 HG13 ILE B 177 165.061 214.351 244.650 1.00 60.51 H +ATOM 11014 HG21 ILE B 177 164.612 215.431 241.268 1.00 69.51 H +ATOM 11015 HG22 ILE B 177 163.722 216.699 241.620 1.00 69.51 H +ATOM 11016 HG23 ILE B 177 165.253 216.662 242.042 1.00 69.51 H +ATOM 11017 HD11 ILE B 177 165.960 212.712 243.294 1.00 66.18 H +ATOM 11018 HD12 ILE B 177 164.387 212.784 243.082 1.00 66.18 H +ATOM 11019 HD13 ILE B 177 165.363 213.435 242.012 1.00 66.18 H +ATOM 11020 N VAL B 178 161.627 217.332 243.575 1.00 42.95 N +ATOM 11021 CA VAL B 178 160.663 218.272 243.019 1.00 48.91 C +ATOM 11022 C VAL B 178 160.587 219.544 243.856 1.00 52.68 C +ATOM 11023 O VAL B 178 160.649 220.651 243.324 1.00 56.35 O +ATOM 11024 CB VAL B 178 159.260 217.637 242.923 1.00 52.65 C +ATOM 11025 CG1 VAL B 178 158.213 218.672 242.534 1.00 52.59 C +ATOM 11026 CG2 VAL B 178 159.264 216.494 241.917 1.00 54.74 C +ATOM 11027 H VAL B 178 161.293 216.563 243.766 1.00 51.54 H +ATOM 11028 HA VAL B 178 160.943 218.518 242.124 1.00 58.69 H +ATOM 11029 HB VAL B 178 159.016 217.274 243.789 1.00 63.18 H +ATOM 11030 HG11 VAL B 178 157.346 218.240 242.483 1.00 63.10 H +ATOM 11031 HG12 VAL B 178 158.196 219.371 243.207 1.00 63.10 H +ATOM 11032 HG13 VAL B 178 158.447 219.049 241.671 1.00 63.10 H +ATOM 11033 HG21 VAL B 178 158.375 216.110 241.872 1.00 65.69 H +ATOM 11034 HG22 VAL B 178 159.520 216.841 241.047 1.00 65.69 H +ATOM 11035 HG23 VAL B 178 159.901 215.822 242.205 1.00 65.69 H +ATOM 11036 N GLU B 179 160.453 219.381 245.167 1.00 59.68 N +ATOM 11037 CA GLU B 179 160.298 220.518 246.068 1.00 66.40 C +ATOM 11038 C GLU B 179 161.570 221.359 246.170 1.00 56.04 C +ATOM 11039 O GLU B 179 161.504 222.586 246.227 1.00 49.36 O +ATOM 11040 CB GLU B 179 159.889 220.038 247.463 1.00 68.80 C +ATOM 11041 CG GLU B 179 158.477 219.470 247.539 1.00 70.18 C +ATOM 11042 CD GLU B 179 158.104 219.024 248.940 1.00 81.52 C +ATOM 11043 OE1 GLU B 179 158.981 219.049 249.829 1.00 85.10 O +ATOM 11044 OE2 GLU B 179 156.931 218.651 249.153 1.00 84.85 O +ATOM 11045 H GLU B 179 160.449 218.617 245.563 1.00 71.61 H +ATOM 11046 HA GLU B 179 159.591 221.090 245.731 1.00 79.68 H +ATOM 11047 HB2 GLU B 179 160.502 219.341 247.744 1.00 82.56 H +ATOM 11048 HB3 GLU B 179 159.939 220.786 248.077 1.00 82.56 H +ATOM 11049 HG2 GLU B 179 157.846 220.153 247.263 1.00 84.22 H +ATOM 11050 HG3 GLU B 179 158.413 218.701 246.952 1.00 84.22 H +ATOM 11051 N LYS B 180 162.723 220.698 246.185 1.00 56.02 N +ATOM 11052 CA LYS B 180 163.993 221.382 246.425 1.00 52.95 C +ATOM 11053 C LYS B 180 164.607 222.013 245.176 1.00 54.29 C +ATOM 11054 O LYS B 180 165.350 222.988 245.281 1.00 52.86 O +ATOM 11055 CB LYS B 180 165.009 220.411 247.032 1.00 57.90 C +ATOM 11056 CG LYS B 180 164.874 220.207 248.533 1.00 61.58 C +ATOM 11057 CD LYS B 180 165.997 219.328 249.060 1.00 72.43 C +ATOM 11058 CE LYS B 180 166.144 219.435 250.572 1.00 78.08 C +ATOM 11059 NZ LYS B 180 164.961 218.900 251.299 1.00 80.07 N +ATOM 11060 H LYS B 180 162.799 219.851 246.058 1.00 67.23 H +ATOM 11061 HA LYS B 180 163.844 222.092 247.068 1.00 63.54 H +ATOM 11062 HB2 LYS B 180 164.902 219.545 246.608 1.00 69.48 H +ATOM 11063 HB3 LYS B 180 165.902 220.750 246.861 1.00 69.48 H +ATOM 11064 HG2 LYS B 180 164.922 221.067 248.980 1.00 73.89 H +ATOM 11065 HG3 LYS B 180 164.028 219.773 248.724 1.00 73.89 H +ATOM 11066 HD2 LYS B 180 165.807 218.402 248.840 1.00 86.91 H +ATOM 11067 HD3 LYS B 180 166.834 219.603 248.655 1.00 86.91 H +ATOM 11068 HE2 LYS B 180 166.922 218.928 250.851 1.00 93.69 H +ATOM 11069 HE3 LYS B 180 166.249 220.368 250.814 1.00 93.69 H +ATOM 11070 HZ1 LYS B 180 165.083 218.980 252.177 1.00 96.09 H +ATOM 11071 HZ2 LYS B 180 164.231 219.353 251.066 1.00 96.09 H +ATOM 11072 HZ3 LYS B 180 164.845 218.041 251.099 1.00 96.09 H +ATOM 11073 N LEU B 181 164.303 221.462 244.001 1.00 57.06 N +ATOM 11074 CA LEU B 181 165.010 221.841 242.776 1.00 49.34 C +ATOM 11075 C LEU B 181 164.111 222.291 241.626 1.00 41.36 C +ATOM 11076 O LEU B 181 164.567 223.003 240.734 1.00 46.40 O +ATOM 11077 CB LEU B 181 165.869 220.668 242.293 1.00 47.21 C +ATOM 11078 CG LEU B 181 167.005 220.222 243.215 1.00 47.12 C +ATOM 11079 CD1 LEU B 181 167.647 218.949 242.689 1.00 45.59 C +ATOM 11080 CD2 LEU B 181 168.045 221.318 243.355 1.00 50.81 C +ATOM 11081 H LEU B 181 163.693 220.868 243.886 1.00 68.47 H +ATOM 11082 HA LEU B 181 165.609 222.576 242.982 1.00 59.21 H +ATOM 11083 HB2 LEU B 181 165.289 219.902 242.163 1.00 56.65 H +ATOM 11084 HB3 LEU B 181 166.269 220.914 241.445 1.00 56.65 H +ATOM 11085 HG LEU B 181 166.644 220.035 244.096 1.00 56.55 H +ATOM 11086 HD11 LEU B 181 168.363 218.686 243.289 1.00 54.70 H +ATOM 11087 HD12 LEU B 181 166.975 218.250 242.650 1.00 54.70 H +ATOM 11088 HD13 LEU B 181 168.002 219.118 241.803 1.00 54.70 H +ATOM 11089 HD21 LEU B 181 168.751 221.008 243.943 1.00 60.97 H +ATOM 11090 HD22 LEU B 181 168.408 221.521 242.479 1.00 60.97 H +ATOM 11091 HD23 LEU B 181 167.623 222.106 243.730 1.00 60.97 H +ATOM 11092 N LEU B 182 162.845 221.882 241.641 1.00 44.92 N +ATOM 11093 CA LEU B 182 161.975 222.062 240.477 1.00 48.79 C +ATOM 11094 C LEU B 182 160.744 222.931 240.729 1.00 38.90 C +ATOM 11095 O LEU B 182 160.217 223.550 239.805 1.00 38.26 O +ATOM 11096 CB LEU B 182 161.521 220.694 239.960 1.00 44.18 C +ATOM 11097 CG LEU B 182 162.631 219.680 239.672 1.00 41.39 C +ATOM 11098 CD1 LEU B 182 162.028 218.404 239.116 1.00 43.14 C +ATOM 11099 CD2 LEU B 182 163.673 220.246 238.713 1.00 43.31 C +ATOM 11100 H LEU B 182 162.465 221.499 242.310 1.00 53.90 H +ATOM 11101 HA LEU B 182 162.490 222.485 239.772 1.00 58.55 H +ATOM 11102 HB2 LEU B 182 160.933 220.298 240.622 1.00 53.01 H +ATOM 11103 HB3 LEU B 182 161.031 220.828 239.134 1.00 53.01 H +ATOM 11104 HG LEU B 182 163.080 219.461 240.504 1.00 49.67 H +ATOM 11105 HD11 LEU B 182 162.740 217.770 238.938 1.00 51.77 H +ATOM 11106 HD12 LEU B 182 161.412 218.036 239.769 1.00 51.77 H +ATOM 11107 HD13 LEU B 182 161.554 218.611 238.295 1.00 51.77 H +ATOM 11108 HD21 LEU B 182 164.356 219.575 238.557 1.00 51.97 H +ATOM 11109 HD22 LEU B 182 163.240 220.477 237.876 1.00 51.97 H +ATOM 11110 HD23 LEU B 182 164.071 221.037 239.109 1.00 51.97 H +ATOM 11111 N LEU B 183 160.277 222.974 241.970 1.00 41.77 N +ATOM 11112 CA LEU B 183 159.051 223.695 242.286 1.00 48.30 C +ATOM 11113 C LEU B 183 159.231 225.206 242.131 1.00 42.27 C +ATOM 11114 O LEU B 183 160.231 225.770 242.571 1.00 37.26 O +ATOM 11115 CB LEU B 183 158.592 223.361 243.705 1.00 55.17 C +ATOM 11116 CG LEU B 183 157.176 223.801 244.083 1.00 61.11 C +ATOM 11117 CD1 LEU B 183 156.134 223.070 243.246 1.00 75.06 C +ATOM 11118 CD2 LEU B 183 156.934 223.565 245.562 1.00 72.16 C +ATOM 11119 H LEU B 183 160.650 222.595 242.646 1.00 50.13 H +ATOM 11120 HA LEU B 183 158.354 223.413 241.673 1.00 57.96 H +ATOM 11121 HB2 LEU B 183 158.635 222.398 243.819 1.00 66.21 H +ATOM 11122 HB3 LEU B 183 159.202 223.785 244.329 1.00 66.21 H +ATOM 11123 HG LEU B 183 157.085 224.751 243.912 1.00 73.33 H +ATOM 11124 HD11 LEU B 183 155.250 223.371 243.509 1.00 90.07 H +ATOM 11125 HD12 LEU B 183 156.286 223.269 242.309 1.00 90.07 H +ATOM 11126 HD13 LEU B 183 156.219 222.116 243.399 1.00 90.07 H +ATOM 11127 HD21 LEU B 183 156.033 223.849 245.783 1.00 86.59 H +ATOM 11128 HD22 LEU B 183 157.039 222.619 245.752 1.00 86.59 H +ATOM 11129 HD23 LEU B 183 157.578 224.079 246.073 1.00 86.59 H +ATOM 11130 N ARG B 184 158.252 225.849 241.500 1.00 40.32 N +ATOM 11131 CA ARG B 184 158.300 227.285 241.238 1.00 44.17 C +ATOM 11132 C ARG B 184 157.905 228.107 242.463 1.00 46.32 C +ATOM 11133 O ARG B 184 156.874 227.856 243.085 1.00 39.55 O +ATOM 11134 CB ARG B 184 157.380 227.637 240.065 1.00 37.87 C +ATOM 11135 CG ARG B 184 157.269 229.128 239.760 1.00 45.09 C +ATOM 11136 CD ARG B 184 156.239 229.388 238.674 1.00 38.18 C +ATOM 11137 NE ARG B 184 156.644 228.835 237.384 1.00 41.89 N +ATOM 11138 CZ ARG B 184 155.836 228.700 236.337 1.00 44.25 C +ATOM 11139 NH1 ARG B 184 154.565 229.068 236.416 1.00 42.33 N +ATOM 11140 NH2 ARG B 184 156.299 228.190 235.207 1.00 47.91 N +ATOM 11141 H ARG B 184 157.538 225.469 241.209 1.00 48.39 H +ATOM 11142 HA ARG B 184 159.206 227.531 240.993 1.00 53.01 H +ATOM 11143 HB2 ARG B 184 157.716 227.199 239.268 1.00 45.45 H +ATOM 11144 HB3 ARG B 184 156.488 227.312 240.264 1.00 45.45 H +ATOM 11145 HG2 ARG B 184 156.995 229.601 240.561 1.00 54.11 H +ATOM 11146 HG3 ARG B 184 158.128 229.457 239.451 1.00 54.11 H +ATOM 11147 HD2 ARG B 184 155.399 228.976 238.928 1.00 45.81 H +ATOM 11148 HD3 ARG B 184 156.123 230.345 238.568 1.00 45.81 H +ATOM 11149 HE ARG B 184 157.460 228.580 237.296 1.00 50.27 H +ATOM 11150 HH11 ARG B 184 154.258 229.401 237.147 1.00 50.80 H +ATOM 11151 HH12 ARG B 184 154.048 228.976 235.735 1.00 50.80 H +ATOM 11152 HH21 ARG B 184 157.122 227.948 235.150 1.00 57.49 H +ATOM 11153 HH22 ARG B 184 155.776 228.100 234.531 1.00 57.49 H +ATOM 11154 N ARG B 185 158.739 229.088 242.795 1.00 47.87 N +ATOM 11155 CA ARG B 185 158.423 230.072 243.827 1.00 44.43 C +ATOM 11156 C ARG B 185 158.017 231.368 243.144 1.00 41.35 C +ATOM 11157 O ARG B 185 156.935 231.907 243.370 1.00 40.36 O +ATOM 11158 CB ARG B 185 159.624 230.317 244.740 1.00 46.46 C +ATOM 11159 CG ARG B 185 160.302 229.056 245.245 1.00 46.27 C +ATOM 11160 CD ARG B 185 159.389 228.250 246.150 1.00 55.22 C +ATOM 11161 NE ARG B 185 158.932 229.024 247.299 1.00 59.35 N +ATOM 11162 CZ ARG B 185 159.673 229.286 248.372 1.00 59.98 C +ATOM 11163 NH1 ARG B 185 160.921 228.845 248.448 1.00 57.57 N +ATOM 11164 NH2 ARG B 185 159.166 229.997 249.369 1.00 52.92 N +ATOM 11165 H ARG B 185 159.508 229.206 242.431 1.00 57.44 H +ATOM 11166 HA ARG B 185 157.681 229.756 244.366 1.00 53.32 H +ATOM 11167 HB2 ARG B 185 160.286 230.831 244.251 1.00 55.75 H +ATOM 11168 HB3 ARG B 185 159.327 230.821 245.514 1.00 55.75 H +ATOM 11169 HG2 ARG B 185 160.546 228.500 244.488 1.00 55.52 H +ATOM 11170 HG3 ARG B 185 161.093 229.299 245.751 1.00 55.52 H +ATOM 11171 HD2 ARG B 185 158.609 227.969 245.646 1.00 66.26 H +ATOM 11172 HD3 ARG B 185 159.870 227.476 246.479 1.00 66.26 H +ATOM 11173 HE ARG B 185 158.129 229.332 247.282 1.00 71.22 H +ATOM 11174 HH11 ARG B 185 161.254 228.383 247.804 1.00 69.08 H +ATOM 11175 HH12 ARG B 185 161.396 229.018 249.144 1.00 69.08 H +ATOM 11176 HH21 ARG B 185 158.358 230.287 249.323 1.00 63.50 H +ATOM 11177 HH22 ARG B 185 159.646 230.169 250.062 1.00 63.50 H +ATOM 11178 N LYS B 186 158.920 231.846 242.298 1.00 45.36 N +ATOM 11179 CA LYS B 186 158.734 233.052 241.510 1.00 41.30 C +ATOM 11180 C LYS B 186 158.744 232.661 240.038 1.00 44.14 C +ATOM 11181 O LYS B 186 159.646 231.954 239.591 1.00 42.21 O +ATOM 11182 CB LYS B 186 159.842 234.054 241.835 1.00 40.37 C +ATOM 11183 CG LYS B 186 159.922 235.286 240.955 1.00 47.28 C +ATOM 11184 CD LYS B 186 160.948 236.252 241.541 1.00 48.16 C +ATOM 11185 CE LYS B 186 161.428 237.283 240.535 1.00 50.22 C +ATOM 11186 NZ LYS B 186 160.364 238.242 240.145 1.00 67.59 N +ATOM 11187 H LYS B 186 159.681 231.469 242.160 1.00 54.43 H +ATOM 11188 HA LYS B 186 157.877 233.454 241.721 1.00 49.56 H +ATOM 11189 HB2 LYS B 186 159.716 234.360 242.747 1.00 48.45 H +ATOM 11190 HB3 LYS B 186 160.694 233.596 241.766 1.00 48.45 H +ATOM 11191 HG2 LYS B 186 160.206 235.033 240.063 1.00 56.73 H +ATOM 11192 HG3 LYS B 186 159.058 235.727 240.930 1.00 56.73 H +ATOM 11193 HD2 LYS B 186 160.547 236.725 242.286 1.00 57.80 H +ATOM 11194 HD3 LYS B 186 161.719 235.748 241.844 1.00 57.80 H +ATOM 11195 HE2 LYS B 186 162.159 237.788 240.924 1.00 60.26 H +ATOM 11196 HE3 LYS B 186 161.729 236.827 239.733 1.00 60.26 H +ATOM 11197 HZ1 LYS B 186 160.683 238.828 239.556 1.00 81.11 H +ATOM 11198 HZ2 LYS B 186 159.681 237.805 239.777 1.00 81.11 H +ATOM 11199 HZ3 LYS B 186 160.073 238.681 240.862 1.00 81.11 H +ATOM 11200 N PHE B 187 157.730 233.086 239.292 1.00 38.77 N +ATOM 11201 CA PHE B 187 157.659 232.753 237.878 1.00 34.71 C +ATOM 11202 C PHE B 187 158.853 233.339 237.147 1.00 45.69 C +ATOM 11203 O PHE B 187 159.167 234.517 237.302 1.00 63.36 O +ATOM 11204 CB PHE B 187 156.359 233.263 237.254 1.00 37.84 C +ATOM 11205 CG PHE B 187 156.313 233.125 235.757 1.00 39.70 C +ATOM 11206 CD1 PHE B 187 156.018 231.907 235.169 1.00 41.32 C +ATOM 11207 CD2 PHE B 187 156.567 234.212 234.939 1.00 39.79 C +ATOM 11208 CE1 PHE B 187 155.976 231.776 233.795 1.00 34.99 C +ATOM 11209 CE2 PHE B 187 156.526 234.087 233.565 1.00 43.27 C +ATOM 11210 CZ PHE B 187 156.230 232.865 232.993 1.00 40.15 C +ATOM 11211 H PHE B 187 157.076 233.564 239.579 1.00 46.52 H +ATOM 11212 HA PHE B 187 157.685 231.789 237.776 1.00 41.65 H +ATOM 11213 HB2 PHE B 187 155.617 232.759 237.622 1.00 45.41 H +ATOM 11214 HB3 PHE B 187 156.257 234.203 237.468 1.00 45.41 H +ATOM 11215 HD1 PHE B 187 155.846 231.168 235.706 1.00 49.58 H +ATOM 11216 HD2 PHE B 187 156.767 235.037 235.319 1.00 47.74 H +ATOM 11217 HE1 PHE B 187 155.777 230.953 233.412 1.00 41.99 H +ATOM 11218 HE2 PHE B 187 156.698 234.824 233.025 1.00 51.93 H +ATOM 11219 HZ PHE B 187 156.202 232.778 232.067 1.00 48.18 H +ATOM 11220 N ILE B 188 159.518 232.507 236.352 1.00 45.13 N +ATOM 11221 CA ILE B 188 160.671 232.939 235.576 1.00 39.57 C +ATOM 11222 C ILE B 188 160.315 232.919 234.092 1.00 41.93 C +ATOM 11223 O ILE B 188 160.159 231.849 233.510 1.00 40.44 O +ATOM 11224 CB ILE B 188 161.894 232.048 235.829 1.00 42.95 C +ATOM 11225 CG1 ILE B 188 162.248 232.073 237.317 1.00 37.32 C +ATOM 11226 CG2 ILE B 188 163.080 232.525 234.989 1.00 42.00 C +ATOM 11227 CD1 ILE B 188 163.382 231.150 237.703 1.00 54.22 C +ATOM 11228 H ILE B 188 159.317 231.678 236.245 1.00 54.15 H +ATOM 11229 HA ILE B 188 160.901 233.849 235.822 1.00 47.49 H +ATOM 11230 HB ILE B 188 161.676 231.138 235.574 1.00 51.54 H +ATOM 11231 HG12 ILE B 188 162.507 232.975 237.559 1.00 44.79 H +ATOM 11232 HG13 ILE B 188 161.466 231.808 237.826 1.00 44.79 H +ATOM 11233 HG21 ILE B 188 163.842 231.949 235.163 1.00 50.40 H +ATOM 11234 HG22 ILE B 188 162.840 232.481 234.050 1.00 50.40 H +ATOM 11235 HG23 ILE B 188 163.293 233.439 235.234 1.00 50.40 H +ATOM 11236 HD11 ILE B 188 163.540 231.227 238.657 1.00 65.06 H +ATOM 11237 HD12 ILE B 188 163.136 230.238 237.481 1.00 65.06 H +ATOM 11238 HD13 ILE B 188 164.178 231.407 237.213 1.00 65.06 H +ATOM 11239 N PRO B 189 160.181 234.104 233.470 1.00 40.39 N +ATOM 11240 CA PRO B 189 159.798 234.141 232.055 1.00 34.47 C +ATOM 11241 C PRO B 189 160.901 233.637 231.133 1.00 39.71 C +ATOM 11242 O PRO B 189 162.082 233.741 231.459 1.00 39.02 O +ATOM 11243 CB PRO B 189 159.517 235.627 231.814 1.00 38.19 C +ATOM 11244 CG PRO B 189 160.373 236.326 232.798 1.00 34.40 C +ATOM 11245 CD PRO B 189 160.384 235.458 234.015 1.00 38.36 C +ATOM 11246 HA PRO B 189 158.988 233.629 231.906 1.00 41.37 H +ATOM 11247 HB2 PRO B 189 159.768 235.866 230.907 1.00 45.82 H +ATOM 11248 HB3 PRO B 189 158.580 235.816 231.975 1.00 45.82 H +ATOM 11249 HG2 PRO B 189 161.270 236.422 232.440 1.00 41.27 H +ATOM 11250 HG3 PRO B 189 159.992 237.194 233.002 1.00 41.27 H +ATOM 11251 HD2 PRO B 189 161.241 235.516 234.465 1.00 46.03 H +ATOM 11252 HD3 PRO B 189 159.654 235.697 234.608 1.00 46.03 H +ATOM 11253 N ASP B 190 160.508 233.087 229.991 1.00 42.53 N +ATOM 11254 CA ASP B 190 161.465 232.644 228.992 1.00 40.96 C +ATOM 11255 C ASP B 190 162.169 233.848 228.362 1.00 34.79 C +ATOM 11256 O ASP B 190 161.509 234.721 227.806 1.00 32.60 O +ATOM 11257 CB ASP B 190 160.764 231.818 227.915 1.00 47.62 C +ATOM 11258 CG ASP B 190 161.654 231.541 226.724 1.00 42.41 C +ATOM 11259 OD1 ASP B 190 162.859 231.297 226.927 1.00 43.08 O +ATOM 11260 OD2 ASP B 190 161.154 231.579 225.586 1.00 40.77 O +ATOM 11261 H ASP B 190 159.686 232.960 229.771 1.00 51.04 H +ATOM 11262 HA ASP B 190 162.136 232.086 229.416 1.00 49.15 H +ATOM 11263 HB2 ASP B 190 160.495 230.966 228.294 1.00 57.15 H +ATOM 11264 HB3 ASP B 190 159.984 232.303 227.601 1.00 57.15 H +ATOM 11265 N PRO B 191 163.512 233.897 228.430 1.00 34.70 N +ATOM 11266 CA PRO B 191 164.186 235.069 227.862 1.00 29.66 C +ATOM 11267 C PRO B 191 164.157 235.104 226.335 1.00 30.48 C +ATOM 11268 O PRO B 191 164.439 236.150 225.758 1.00 32.50 O +ATOM 11269 CB PRO B 191 165.632 234.931 228.368 1.00 47.41 C +ATOM 11270 CG PRO B 191 165.672 233.711 229.230 1.00 43.36 C +ATOM 11271 CD PRO B 191 164.474 232.901 228.931 1.00 41.95 C +ATOM 11272 HA PRO B 191 163.798 235.886 228.213 1.00 35.60 H +ATOM 11273 HB2 PRO B 191 166.230 234.830 227.611 1.00 56.89 H +ATOM 11274 HB3 PRO B 191 165.869 235.718 228.884 1.00 56.89 H +ATOM 11275 HG2 PRO B 191 166.475 233.206 229.030 1.00 52.03 H +ATOM 11276 HG3 PRO B 191 165.669 233.980 230.162 1.00 52.03 H +ATOM 11277 HD2 PRO B 191 164.672 232.246 228.244 1.00 50.34 H +ATOM 11278 HD3 PRO B 191 164.138 232.482 229.738 1.00 50.34 H +ATOM 11279 N GLN B 192 163.838 233.981 225.700 1.00 37.04 N +ATOM 11280 CA GLN B 192 163.717 233.930 224.244 1.00 36.31 C +ATOM 11281 C GLN B 192 162.362 234.469 223.793 1.00 36.22 C +ATOM 11282 O GLN B 192 162.125 234.664 222.601 1.00 32.37 O +ATOM 11283 CB GLN B 192 163.919 232.502 223.727 1.00 38.41 C +ATOM 11284 CG GLN B 192 165.371 232.043 223.757 1.00 45.21 C +ATOM 11285 CD GLN B 192 165.579 230.673 223.149 1.00 39.77 C +ATOM 11286 OE1 GLN B 192 166.253 229.826 223.730 1.00 38.64 O +ATOM 11287 NE2 GLN B 192 165.016 230.451 221.966 1.00 35.07 N +ATOM 11288 H GLN B 192 163.686 233.230 226.090 1.00 44.44 H +ATOM 11289 HA GLN B 192 164.406 234.490 223.852 1.00 43.57 H +ATOM 11290 HB2 GLN B 192 163.403 231.893 224.278 1.00 46.09 H +ATOM 11291 HB3 GLN B 192 163.612 232.455 222.808 1.00 46.09 H +ATOM 11292 HG2 GLN B 192 165.911 232.676 223.258 1.00 54.25 H +ATOM 11293 HG3 GLN B 192 165.670 232.008 224.679 1.00 54.25 H +ATOM 11294 HE21 GLN B 192 164.560 231.072 221.584 1.00 42.08 H +ATOM 11295 HE22 GLN B 192 165.108 229.687 221.582 1.00 42.08 H +ATOM 11296 N GLY B 193 161.472 234.701 224.751 1.00 40.44 N +ATOM 11297 CA GLY B 193 160.200 235.340 224.474 1.00 43.19 C +ATOM 11298 C GLY B 193 159.085 234.402 224.048 1.00 45.21 C +ATOM 11299 O GLY B 193 158.077 234.865 223.518 1.00 44.11 O +ATOM 11300 H GLY B 193 161.586 234.494 225.578 1.00 48.53 H +ATOM 11301 HA2 GLY B 193 159.905 235.810 225.270 1.00 51.82 H +ATOM 11302 HA3 GLY B 193 160.325 235.994 223.769 1.00 51.82 H +ATOM 11303 N SER B 194 159.256 233.102 224.279 1.00 39.54 N +ATOM 11304 CA SER B 194 158.232 232.116 223.926 1.00 38.50 C +ATOM 11305 C SER B 194 156.894 232.493 224.544 1.00 41.70 C +ATOM 11306 O SER B 194 156.836 232.880 225.710 1.00 37.28 O +ATOM 11307 CB SER B 194 158.629 230.714 224.396 1.00 42.81 C +ATOM 11308 OG SER B 194 159.894 230.330 223.890 1.00 34.79 O +ATOM 11309 H SER B 194 159.958 232.762 224.640 1.00 47.45 H +ATOM 11310 HA SER B 194 158.127 232.095 222.962 1.00 46.20 H +ATOM 11311 HB2 SER B 194 158.665 230.708 225.365 1.00 51.37 H +ATOM 11312 HB3 SER B 194 157.963 230.081 224.087 1.00 51.37 H +ATOM 11313 HG SER B 194 160.483 230.868 224.152 1.00 41.75 H +ATOM 11314 N ASN B 195 155.827 232.378 223.759 1.00 41.57 N +ATOM 11315 CA ASN B 195 154.490 232.713 224.231 1.00 42.33 C +ATOM 11316 C ASN B 195 153.612 231.470 224.383 1.00 42.10 C +ATOM 11317 O ASN B 195 154.084 230.351 224.207 1.00 45.51 O +ATOM 11318 CB ASN B 195 153.835 233.727 223.288 1.00 36.73 C +ATOM 11319 CG ASN B 195 153.721 233.222 221.859 1.00 39.65 C +ATOM 11320 OD1 ASN B 195 153.795 232.022 221.595 1.00 41.59 O +ATOM 11321 ND2 ASN B 195 153.540 234.148 220.925 1.00 37.47 N +ATOM 11322 H ASN B 195 155.852 232.106 222.943 1.00 49.88 H +ATOM 11323 HA ASN B 195 154.565 233.129 225.105 1.00 50.80 H +ATOM 11324 HB2 ASN B 195 152.941 233.924 223.608 1.00 44.07 H +ATOM 11325 HB3 ASN B 195 154.368 234.537 223.277 1.00 44.07 H +ATOM 11326 HD21 ASN B 195 153.469 233.918 220.099 1.00 44.96 H +ATOM 11327 HD22 ASN B 195 153.494 234.978 221.145 1.00 44.96 H +ATOM 11328 N MET B 196 152.340 231.663 224.714 1.00 41.52 N +ATOM 11329 CA MET B 196 151.457 230.531 224.969 1.00 45.38 C +ATOM 11330 C MET B 196 151.042 229.834 223.679 1.00 40.11 C +ATOM 11331 O MET B 196 150.656 228.666 223.701 1.00 36.49 O +ATOM 11332 CB MET B 196 150.218 230.980 225.746 1.00 48.01 C +ATOM 11333 CG MET B 196 150.492 231.338 227.203 1.00 58.45 C +ATOM 11334 SD MET B 196 151.435 230.080 228.098 1.00 44.22 S +ATOM 11335 CE MET B 196 150.352 228.662 227.960 1.00 84.49 C +ATOM 11336 H MET B 196 151.967 232.433 224.799 1.00 49.82 H +ATOM 11337 HA MET B 196 151.931 229.891 225.523 1.00 54.46 H +ATOM 11338 HB2 MET B 196 149.846 231.765 225.314 1.00 57.61 H +ATOM 11339 HB3 MET B 196 149.567 230.261 225.737 1.00 57.61 H +ATOM 11340 HG2 MET B 196 150.999 232.165 227.231 1.00 70.14 H +ATOM 11341 HG3 MET B 196 149.645 231.456 227.661 1.00 70.14 H +ATOM 11342 HE1 MET B 196 150.760 227.908 228.413 1.00101.39 H +ATOM 11343 HE2 MET B 196 149.500 228.875 228.372 1.00101.39 H +ATOM 11344 HE3 MET B 196 150.223 228.454 227.021 1.00101.39 H +ATOM 11345 N MET B 197 151.119 230.542 222.558 1.00 31.47 N +ATOM 11346 CA MET B 197 150.923 229.906 221.266 1.00 40.81 C +ATOM 11347 C MET B 197 152.002 228.846 221.060 1.00 40.46 C +ATOM 11348 O MET B 197 151.738 227.778 220.511 1.00 33.53 O +ATOM 11349 CB MET B 197 150.961 230.931 220.131 1.00 40.00 C +ATOM 11350 CG MET B 197 149.772 231.878 220.104 1.00 55.84 C +ATOM 11351 SD MET B 197 148.212 231.066 219.702 1.00 37.21 S +ATOM 11352 CE MET B 197 148.473 230.631 217.986 1.00 29.39 C +ATOM 11353 H MET B 197 151.282 231.386 222.520 1.00 37.77 H +ATOM 11354 HA MET B 197 150.053 229.477 221.253 1.00 48.97 H +ATOM 11355 HB2 MET B 197 151.764 231.468 220.225 1.00 48.00 H +ATOM 11356 HB3 MET B 197 150.981 230.458 219.285 1.00 48.00 H +ATOM 11357 HG2 MET B 197 149.677 232.287 220.979 1.00 67.01 H +ATOM 11358 HG3 MET B 197 149.931 232.563 219.436 1.00 67.01 H +ATOM 11359 HE1 MET B 197 148.632 231.441 217.476 1.00 35.27 H +ATOM 11360 HE2 MET B 197 149.243 230.044 217.923 1.00 35.27 H +ATOM 11361 HE3 MET B 197 147.683 230.178 217.651 1.00 35.27 H +ATOM 11362 N PHE B 198 153.216 229.145 221.516 1.00 38.40 N +ATOM 11363 CA PHE B 198 154.327 228.205 221.416 1.00 38.44 C +ATOM 11364 C PHE B 198 154.145 227.026 222.368 1.00 33.45 C +ATOM 11365 O PHE B 198 154.344 225.876 221.984 1.00 27.29 O +ATOM 11366 CB PHE B 198 155.661 228.903 221.708 1.00 32.26 C +ATOM 11367 CG PHE B 198 156.823 227.959 221.822 1.00 37.21 C +ATOM 11368 CD1 PHE B 198 157.457 227.482 220.690 1.00 35.57 C +ATOM 11369 CD2 PHE B 198 157.274 227.540 223.062 1.00 33.90 C +ATOM 11370 CE1 PHE B 198 158.518 226.609 220.792 1.00 30.96 C +ATOM 11371 CE2 PHE B 198 158.335 226.666 223.166 1.00 35.20 C +ATOM 11372 CZ PHE B 198 158.956 226.201 222.031 1.00 31.00 C +ATOM 11373 H PHE B 198 153.422 229.891 221.891 1.00 46.08 H +ATOM 11374 HA PHE B 198 154.364 227.856 220.512 1.00 46.13 H +ATOM 11375 HB2 PHE B 198 155.853 229.525 220.988 1.00 38.71 H +ATOM 11376 HB3 PHE B 198 155.586 229.384 222.547 1.00 38.71 H +ATOM 11377 HD1 PHE B 198 157.163 227.753 219.850 1.00 42.69 H +ATOM 11378 HD2 PHE B 198 156.856 227.850 223.832 1.00 40.68 H +ATOM 11379 HE1 PHE B 198 158.938 226.295 220.024 1.00 37.15 H +ATOM 11380 HE2 PHE B 198 158.632 226.392 224.004 1.00 42.24 H +ATOM 11381 HZ PHE B 198 159.674 225.614 222.100 1.00 37.20 H +ATOM 11382 N ALA B 199 153.762 227.318 223.606 1.00 30.52 N +ATOM 11383 CA ALA B 199 153.616 226.286 224.626 1.00 29.68 C +ATOM 11384 C ALA B 199 152.536 225.264 224.265 1.00 37.65 C +ATOM 11385 O ALA B 199 152.755 224.059 224.393 1.00 33.79 O +ATOM 11386 CB ALA B 199 153.307 226.920 225.972 1.00 30.90 C +ATOM 11387 H ALA B 199 153.580 228.111 223.882 1.00 36.62 H +ATOM 11388 HA ALA B 199 154.457 225.810 224.710 1.00 35.62 H +ATOM 11389 HB1 ALA B 199 153.213 226.219 226.636 1.00 37.08 H +ATOM 11390 HB2 ALA B 199 154.035 227.512 226.216 1.00 37.08 H +ATOM 11391 HB3 ALA B 199 152.480 227.423 225.902 1.00 37.08 H +ATOM 11392 N PHE B 200 151.378 225.736 223.816 1.00 33.10 N +ATOM 11393 CA PHE B 200 150.279 224.835 223.480 1.00 35.11 C +ATOM 11394 C PHE B 200 150.501 224.148 222.138 1.00 27.33 C +ATOM 11395 O PHE B 200 149.997 223.050 221.911 1.00 24.04 O +ATOM 11396 CB PHE B 200 148.944 225.583 223.469 1.00 37.90 C +ATOM 11397 CG PHE B 200 148.403 225.869 224.839 1.00 46.49 C +ATOM 11398 CD1 PHE B 200 148.118 224.833 225.712 1.00 43.82 C +ATOM 11399 CD2 PHE B 200 148.177 227.168 225.254 1.00 47.95 C +ATOM 11400 CE1 PHE B 200 147.625 225.089 226.973 1.00 37.88 C +ATOM 11401 CE2 PHE B 200 147.679 227.427 226.514 1.00 50.03 C +ATOM 11402 CZ PHE B 200 147.404 226.385 227.374 1.00 51.03 C +ATOM 11403 H PHE B 200 151.202 226.570 223.697 1.00 39.72 H +ATOM 11404 HA PHE B 200 150.225 224.145 224.160 1.00 42.13 H +ATOM 11405 HB2 PHE B 200 149.064 226.431 223.014 1.00 45.48 H +ATOM 11406 HB3 PHE B 200 148.288 225.046 222.996 1.00 45.48 H +ATOM 11407 HD1 PHE B 200 148.267 223.954 225.447 1.00 52.58 H +ATOM 11408 HD2 PHE B 200 148.362 227.874 224.678 1.00 57.53 H +ATOM 11409 HE1 PHE B 200 147.438 224.384 227.551 1.00 45.45 H +ATOM 11410 HE2 PHE B 200 147.532 228.304 226.784 1.00 60.04 H +ATOM 11411 HZ PHE B 200 147.069 226.559 228.224 1.00 61.24 H +ATOM 11412 N PHE B 201 151.248 224.786 221.246 1.00 27.54 N +ATOM 11413 CA PHE B 201 151.617 224.131 220.002 1.00 28.02 C +ATOM 11414 C PHE B 201 152.530 222.954 220.318 1.00 28.05 C +ATOM 11415 O PHE B 201 152.387 221.873 219.751 1.00 25.51 O +ATOM 11416 CB PHE B 201 152.309 225.089 219.038 1.00 20.46 C +ATOM 11417 CG PHE B 201 152.590 224.483 217.693 1.00 26.19 C +ATOM 11418 CD1 PHE B 201 153.728 223.727 217.483 1.00 24.94 C +ATOM 11419 CD2 PHE B 201 151.706 224.659 216.643 1.00 23.82 C +ATOM 11420 CE1 PHE B 201 153.984 223.165 216.251 1.00 27.68 C +ATOM 11421 CE2 PHE B 201 151.958 224.099 215.409 1.00 26.73 C +ATOM 11422 CZ PHE B 201 153.099 223.349 215.214 1.00 28.36 C +ATOM 11423 H PHE B 201 151.550 225.587 221.336 1.00 33.04 H +ATOM 11424 HA PHE B 201 150.818 223.789 219.570 1.00 33.62 H +ATOM 11425 HB2 PHE B 201 151.741 225.863 218.903 1.00 24.55 H +ATOM 11426 HB3 PHE B 201 153.156 225.364 219.423 1.00 24.55 H +ATOM 11427 HD1 PHE B 201 154.330 223.598 218.181 1.00 29.93 H +ATOM 11428 HD2 PHE B 201 150.935 225.163 216.770 1.00 28.59 H +ATOM 11429 HE1 PHE B 201 154.754 222.660 216.121 1.00 33.21 H +ATOM 11430 HE2 PHE B 201 151.358 224.225 214.709 1.00 32.08 H +ATOM 11431 HZ PHE B 201 153.271 222.971 214.382 1.00 34.04 H +ATOM 11432 N ALA B 202 153.466 223.180 221.232 1.00 28.84 N +ATOM 11433 CA ALA B 202 154.364 222.131 221.693 1.00 27.30 C +ATOM 11434 C ALA B 202 153.570 220.960 222.261 1.00 29.85 C +ATOM 11435 O ALA B 202 153.788 219.812 221.883 1.00 21.97 O +ATOM 11436 CB ALA B 202 155.328 222.678 222.736 1.00 26.63 C +ATOM 11437 H ALA B 202 153.603 223.943 221.605 1.00 34.61 H +ATOM 11438 HA ALA B 202 154.885 221.806 220.942 1.00 32.76 H +ATOM 11439 HB1 ALA B 202 155.915 221.964 223.029 1.00 31.96 H +ATOM 11440 HB2 ALA B 202 155.849 223.394 222.339 1.00 31.96 H +ATOM 11441 HB3 ALA B 202 154.818 223.018 223.489 1.00 31.96 H +ATOM 11442 N GLN B 203 152.637 221.255 223.162 1.00 35.11 N +ATOM 11443 CA GLN B 203 151.818 220.217 223.778 1.00 35.45 C +ATOM 11444 C GLN B 203 150.957 219.505 222.739 1.00 35.05 C +ATOM 11445 O GLN B 203 150.866 218.280 222.730 1.00 31.73 O +ATOM 11446 CB GLN B 203 150.928 220.810 224.870 1.00 34.04 C +ATOM 11447 CG GLN B 203 150.246 219.767 225.741 1.00 43.33 C +ATOM 11448 CD GLN B 203 149.232 220.368 226.697 1.00 51.23 C +ATOM 11449 OE1 GLN B 203 148.896 221.547 226.604 1.00 52.12 O +ATOM 11450 NE2 GLN B 203 148.739 219.555 227.623 1.00 51.85 N +ATOM 11451 H GLN B 203 152.458 222.051 223.434 1.00 42.13 H +ATOM 11452 HA GLN B 203 152.400 219.558 224.189 1.00 42.54 H +ATOM 11453 HB2 GLN B 203 151.472 221.369 225.448 1.00 40.84 H +ATOM 11454 HB3 GLN B 203 150.236 221.345 224.452 1.00 40.84 H +ATOM 11455 HG2 GLN B 203 149.782 219.134 225.171 1.00 51.99 H +ATOM 11456 HG3 GLN B 203 150.918 219.307 226.268 1.00 51.99 H +ATOM 11457 HE21 GLN B 203 148.998 218.735 227.658 1.00 62.22 H +ATOM 11458 HE22 GLN B 203 148.161 219.847 228.189 1.00 62.22 H +ATOM 11459 N HIS B 204 150.333 220.281 221.861 1.00 30.56 N +ATOM 11460 CA HIS B 204 149.434 219.728 220.856 1.00 30.58 C +ATOM 11461 C HIS B 204 150.181 218.831 219.875 1.00 33.63 C +ATOM 11462 O HIS B 204 149.784 217.690 219.635 1.00 27.19 O +ATOM 11463 CB HIS B 204 148.728 220.854 220.100 1.00 26.44 C +ATOM 11464 CG HIS B 204 147.714 220.374 219.110 1.00 23.03 C +ATOM 11465 ND1 HIS B 204 147.972 220.293 217.758 1.00 24.48 N +ATOM 11466 CD2 HIS B 204 146.438 219.953 219.275 1.00 24.47 C +ATOM 11467 CE1 HIS B 204 146.899 219.841 217.135 1.00 27.04 C +ATOM 11468 NE2 HIS B 204 145.955 219.627 218.032 1.00 22.94 N +ATOM 11469 H HIS B 204 150.413 221.136 221.827 1.00 36.67 H +ATOM 11470 HA HIS B 204 148.757 219.192 221.298 1.00 36.70 H +ATOM 11471 HB2 HIS B 204 148.272 221.422 220.740 1.00 31.72 H +ATOM 11472 HB3 HIS B 204 149.393 221.370 219.616 1.00 31.72 H +ATOM 11473 HD1 HIS B 204 148.716 220.503 217.380 1.00 29.38 H +ATOM 11474 HD2 HIS B 204 145.976 219.895 220.080 1.00 29.36 H +ATOM 11475 HE1 HIS B 204 146.822 219.698 216.219 1.00 32.44 H +ATOM 11476 N PHE B 205 151.264 219.358 219.315 1.00 29.68 N +ATOM 11477 CA PHE B 205 152.037 218.651 218.300 1.00 32.70 C +ATOM 11478 C PHE B 205 152.645 217.352 218.824 1.00 27.85 C +ATOM 11479 O PHE B 205 152.517 216.312 218.186 1.00 23.90 O +ATOM 11480 CB PHE B 205 153.139 219.564 217.750 1.00 30.91 C +ATOM 11481 CG PHE B 205 154.178 218.849 216.936 1.00 25.59 C +ATOM 11482 CD1 PHE B 205 153.861 218.299 215.706 1.00 31.18 C +ATOM 11483 CD2 PHE B 205 155.478 218.740 217.397 1.00 32.26 C +ATOM 11484 CE1 PHE B 205 154.821 217.646 214.959 1.00 25.96 C +ATOM 11485 CE2 PHE B 205 156.442 218.090 216.650 1.00 29.55 C +ATOM 11486 CZ PHE B 205 156.114 217.544 215.432 1.00 25.78 C +ATOM 11487 H PHE B 205 151.577 220.135 219.509 1.00 35.62 H +ATOM 11488 HA PHE B 205 151.447 218.423 217.563 1.00 39.24 H +ATOM 11489 HB2 PHE B 205 152.732 220.238 217.183 1.00 37.09 H +ATOM 11490 HB3 PHE B 205 153.590 219.992 218.495 1.00 37.09 H +ATOM 11491 HD1 PHE B 205 152.992 218.365 215.382 1.00 37.42 H +ATOM 11492 HD2 PHE B 205 155.706 219.108 218.220 1.00 38.71 H +ATOM 11493 HE1 PHE B 205 154.597 217.278 214.134 1.00 31.15 H +ATOM 11494 HE2 PHE B 205 157.312 218.021 216.972 1.00 35.46 H +ATOM 11495 HZ PHE B 205 156.761 217.104 214.929 1.00 30.94 H +ATOM 11496 N THR B 206 153.295 217.404 219.983 1.00 26.23 N +ATOM 11497 CA THR B 206 154.020 216.241 220.488 1.00 27.43 C +ATOM 11498 C THR B 206 153.097 215.149 221.018 1.00 33.53 C +ATOM 11499 O THR B 206 153.488 213.984 221.085 1.00 29.08 O +ATOM 11500 CB THR B 206 155.005 216.615 221.618 1.00 28.76 C +ATOM 11501 OG1 THR B 206 154.283 217.090 222.763 1.00 30.30 O +ATOM 11502 CG2 THR B 206 156.002 217.665 221.151 1.00 26.89 C +ATOM 11503 H THR B 206 153.332 218.096 220.493 1.00 31.48 H +ATOM 11504 HA THR B 206 154.537 215.861 219.761 1.00 32.92 H +ATOM 11505 HB THR B 206 155.505 215.823 221.871 1.00 34.51 H +ATOM 11506 HG1 THR B 206 153.834 217.770 222.557 1.00 36.36 H +ATOM 11507 HG21 THR B 206 156.611 217.887 221.871 1.00 32.27 H +ATOM 11508 HG22 THR B 206 156.512 217.325 220.399 1.00 32.27 H +ATOM 11509 HG23 THR B 206 155.532 218.468 220.876 1.00 32.27 H +ATOM 11510 N HIS B 207 151.876 215.516 221.390 1.00 32.48 N +ATOM 11511 CA HIS B 207 150.954 214.549 221.977 1.00 28.23 C +ATOM 11512 C HIS B 207 150.315 213.651 220.926 1.00 23.46 C +ATOM 11513 O HIS B 207 149.426 212.866 221.238 1.00 31.72 O +ATOM 11514 CB HIS B 207 149.878 215.262 222.790 1.00 35.85 C +ATOM 11515 CG HIS B 207 150.285 215.531 224.204 1.00 42.23 C +ATOM 11516 ND1 HIS B 207 151.475 216.145 224.530 1.00 46.71 N +ATOM 11517 CD2 HIS B 207 149.672 215.250 225.377 1.00 42.83 C +ATOM 11518 CE1 HIS B 207 151.572 216.240 225.844 1.00 45.02 C +ATOM 11519 NE2 HIS B 207 150.490 215.706 226.382 1.00 53.15 N +ATOM 11520 H HIS B 207 151.557 216.311 221.314 1.00 38.97 H +ATOM 11521 HA HIS B 207 151.451 213.980 222.585 1.00 33.88 H +ATOM 11522 HB2 HIS B 207 149.679 216.114 222.370 1.00 43.02 H +ATOM 11523 HB3 HIS B 207 149.081 214.710 222.809 1.00 43.02 H +ATOM 11524 HD2 HIS B 207 148.848 214.832 225.483 1.00 51.39 H +ATOM 11525 HE1 HIS B 207 152.280 216.620 226.311 1.00 54.03 H +ATOM 11526 HE2 HIS B 207 150.326 215.651 227.224 1.00 63.78 H +ATOM 11527 N GLN B 208 150.774 213.747 219.684 1.00 22.65 N +ATOM 11528 CA GLN B 208 150.369 212.778 218.677 1.00 26.43 C +ATOM 11529 C GLN B 208 151.293 211.558 218.709 1.00 22.33 C +ATOM 11530 O GLN B 208 150.885 210.468 218.313 1.00 18.86 O +ATOM 11531 CB GLN B 208 150.349 213.408 217.285 1.00 19.63 C +ATOM 11532 CG GLN B 208 151.707 213.619 216.647 1.00 27.32 C +ATOM 11533 CD GLN B 208 151.609 214.446 215.382 1.00 21.49 C +ATOM 11534 OE1 GLN B 208 151.219 213.944 214.329 1.00 18.30 O +ATOM 11535 NE2 GLN B 208 151.946 215.723 215.484 1.00 19.60 N +ATOM 11536 H GLN B 208 151.312 214.356 219.402 1.00 27.18 H +ATOM 11537 HA GLN B 208 149.470 212.474 218.878 1.00 31.72 H +ATOM 11538 HB2 GLN B 208 149.837 212.833 216.695 1.00 23.55 H +ATOM 11539 HB3 GLN B 208 149.919 214.275 217.347 1.00 23.55 H +ATOM 11540 HG2 GLN B 208 152.284 214.087 217.271 1.00 32.78 H +ATOM 11541 HG3 GLN B 208 152.090 212.758 216.417 1.00 32.78 H +ATOM 11542 HE21 GLN B 208 152.203 216.042 216.240 1.00 23.52 H +ATOM 11543 HE22 GLN B 208 151.907 216.235 214.793 1.00 23.52 H +ATOM 11544 N PHE B 209 152.524 211.730 219.193 1.00 21.09 N +ATOM 11545 CA PHE B 209 153.446 210.596 219.309 1.00 31.88 C +ATOM 11546 C PHE B 209 153.916 210.320 220.745 1.00 23.37 C +ATOM 11547 O PHE B 209 154.504 209.272 221.005 1.00 28.27 O +ATOM 11548 CB PHE B 209 154.660 210.773 218.380 1.00 21.88 C +ATOM 11549 CG PHE B 209 155.313 212.124 218.434 1.00 18.58 C +ATOM 11550 CD1 PHE B 209 156.074 212.504 219.523 1.00 15.24 C +ATOM 11551 CD2 PHE B 209 155.217 212.989 217.356 1.00 22.40 C +ATOM 11552 CE1 PHE B 209 156.693 213.736 219.553 1.00 18.79 C +ATOM 11553 CE2 PHE B 209 155.837 214.221 217.381 1.00 21.95 C +ATOM 11554 CZ PHE B 209 156.576 214.594 218.479 1.00 22.25 C +ATOM 11555 H PHE B 209 152.847 212.482 219.458 1.00 25.31 H +ATOM 11556 HA PHE B 209 152.977 209.802 219.010 1.00 38.26 H +ATOM 11557 HB2 PHE B 209 155.331 210.115 218.621 1.00 26.26 H +ATOM 11558 HB3 PHE B 209 154.373 210.624 217.466 1.00 26.26 H +ATOM 11559 HD1 PHE B 209 156.156 211.930 220.250 1.00 18.29 H +ATOM 11560 HD2 PHE B 209 154.718 212.741 216.612 1.00 26.88 H +ATOM 11561 HE1 PHE B 209 157.193 213.987 220.296 1.00 22.54 H +ATOM 11562 HE2 PHE B 209 155.755 214.799 216.657 1.00 26.34 H +ATOM 11563 HZ PHE B 209 156.992 215.426 218.501 1.00 26.70 H +ATOM 11564 N PHE B 210 153.646 211.232 221.674 1.00 23.68 N +ATOM 11565 CA PHE B 210 153.776 210.919 223.098 1.00 23.64 C +ATOM 11566 C PHE B 210 152.401 210.541 223.633 1.00 30.28 C +ATOM 11567 O PHE B 210 151.614 211.405 224.017 1.00 31.32 O +ATOM 11568 CB PHE B 210 154.346 212.093 223.896 1.00 30.62 C +ATOM 11569 CG PHE B 210 155.735 212.492 223.492 1.00 27.72 C +ATOM 11570 CD1 PHE B 210 156.659 211.547 223.081 1.00 26.53 C +ATOM 11571 CD2 PHE B 210 156.118 213.820 223.533 1.00 23.82 C +ATOM 11572 CE1 PHE B 210 157.935 211.925 222.716 1.00 26.56 C +ATOM 11573 CE2 PHE B 210 157.390 214.201 223.168 1.00 27.06 C +ATOM 11574 CZ PHE B 210 158.300 213.253 222.758 1.00 28.17 C +ATOM 11575 H PHE B 210 153.387 212.036 221.510 1.00 28.42 H +ATOM 11576 HA PHE B 210 154.368 210.158 223.208 1.00 28.37 H +ATOM 11577 HB2 PHE B 210 153.770 212.863 223.772 1.00 36.75 H +ATOM 11578 HB3 PHE B 210 154.370 211.849 224.835 1.00 36.75 H +ATOM 11579 HD1 PHE B 210 156.418 210.650 223.050 1.00 31.84 H +ATOM 11580 HD2 PHE B 210 155.507 214.465 223.809 1.00 28.58 H +ATOM 11581 HE1 PHE B 210 158.548 211.283 222.439 1.00 31.87 H +ATOM 11582 HE2 PHE B 210 157.634 215.098 223.199 1.00 32.47 H +ATOM 11583 HZ PHE B 210 159.160 213.509 222.512 1.00 33.81 H +ATOM 11584 N LYS B 211 152.118 209.242 223.637 1.00 29.54 N +ATOM 11585 CA LYS B 211 150.811 208.725 224.021 1.00 25.67 C +ATOM 11586 C LYS B 211 150.981 207.511 224.916 1.00 29.34 C +ATOM 11587 O LYS B 211 150.681 206.383 224.528 1.00 26.76 O +ATOM 11588 CB LYS B 211 149.993 208.369 222.781 1.00 33.37 C +ATOM 11589 CG LYS B 211 149.569 209.581 221.973 1.00 30.70 C +ATOM 11590 CD LYS B 211 149.078 209.197 220.593 1.00 28.27 C +ATOM 11591 CE LYS B 211 147.859 208.314 220.656 1.00 28.32 C +ATOM 11592 NZ LYS B 211 147.409 207.929 219.296 1.00 35.14 N +ATOM 11593 H LYS B 211 152.679 208.629 223.416 1.00 35.44 H +ATOM 11594 HA LYS B 211 150.330 209.405 224.518 1.00 30.80 H +ATOM 11595 HB2 LYS B 211 150.528 207.799 222.205 1.00 40.05 H +ATOM 11596 HB3 LYS B 211 149.191 207.899 223.057 1.00 40.05 H +ATOM 11597 HG2 LYS B 211 148.847 210.035 222.436 1.00 36.84 H +ATOM 11598 HG3 LYS B 211 150.327 210.177 221.870 1.00 36.84 H +ATOM 11599 HD2 LYS B 211 148.845 210.000 220.102 1.00 33.92 H +ATOM 11600 HD3 LYS B 211 149.779 208.713 220.129 1.00 33.92 H +ATOM 11601 HE2 LYS B 211 148.073 207.505 221.147 1.00 33.99 H +ATOM 11602 HE3 LYS B 211 147.138 208.793 221.092 1.00 33.99 H +ATOM 11603 HZ1 LYS B 211 146.689 207.408 219.350 1.00 42.17 H +ATOM 11604 HZ2 LYS B 211 147.205 208.657 218.826 1.00 42.17 H +ATOM 11605 HZ3 LYS B 211 148.056 207.485 218.876 1.00 42.17 H +ATOM 11606 N THR B 212 151.471 207.770 226.122 1.00 34.42 N +ATOM 11607 CA THR B 212 151.820 206.727 227.072 1.00 33.71 C +ATOM 11608 C THR B 212 150.608 205.868 227.437 1.00 35.24 C +ATOM 11609 O THR B 212 149.566 206.385 227.833 1.00 36.98 O +ATOM 11610 CB THR B 212 152.415 207.341 228.353 1.00 33.31 C +ATOM 11611 OG1 THR B 212 153.313 208.411 228.012 1.00 48.21 O +ATOM 11612 CG2 THR B 212 153.137 206.279 229.167 1.00 32.59 C +ATOM 11613 H THR B 212 151.613 208.564 226.419 1.00 41.30 H +ATOM 11614 HA THR B 212 152.490 206.149 226.676 1.00 40.45 H +ATOM 11615 HB THR B 212 151.694 207.695 228.896 1.00 39.98 H +ATOM 11616 HG21 THR B 212 153.508 206.675 229.971 1.00 39.11 H +ATOM 11617 HG22 THR B 212 152.518 205.576 229.418 1.00 39.11 H +ATOM 11618 HG23 THR B 212 153.857 205.894 228.643 1.00 39.11 H +ATOM 11619 N ASP B 213 150.753 204.555 227.291 1.00 42.41 N +ATOM 11620 CA ASP B 213 149.682 203.614 227.606 1.00 42.75 C +ATOM 11621 C ASP B 213 149.793 203.178 229.064 1.00 41.38 C +ATOM 11622 O ASP B 213 150.451 202.189 229.380 1.00 43.53 O +ATOM 11623 CB ASP B 213 149.743 202.402 226.670 1.00 47.29 C +ATOM 11624 CG ASP B 213 148.534 201.487 226.807 1.00 50.24 C +ATOM 11625 OD1 ASP B 213 147.718 201.699 227.726 1.00 42.05 O +ATOM 11626 OD2 ASP B 213 148.402 200.550 225.992 1.00 46.29 O +ATOM 11627 H ASP B 213 151.472 204.178 227.008 1.00 50.90 H +ATOM 11628 HA ASP B 213 148.824 204.051 227.483 1.00 51.30 H +ATOM 11629 HB2 ASP B 213 149.781 202.714 225.753 1.00 56.75 H +ATOM 11630 HB3 ASP B 213 150.536 201.884 226.878 1.00 56.75 H +ATOM 11631 N HIS B 214 149.142 203.918 229.953 1.00 40.60 N +ATOM 11632 CA HIS B 214 149.305 203.696 231.383 1.00 47.55 C +ATOM 11633 C HIS B 214 148.588 202.439 231.868 1.00 50.62 C +ATOM 11634 O HIS B 214 148.832 201.981 232.984 1.00 52.41 O +ATOM 11635 CB HIS B 214 148.821 204.920 232.158 1.00 45.38 C +ATOM 11636 CG HIS B 214 149.710 206.112 231.999 1.00 51.42 C +ATOM 11637 ND1 HIS B 214 151.032 206.109 232.390 1.00 48.04 N +ATOM 11638 CD2 HIS B 214 149.475 207.339 231.479 1.00 46.05 C +ATOM 11639 CE1 HIS B 214 151.570 207.285 232.125 1.00 51.55 C +ATOM 11640 NE2 HIS B 214 150.647 208.050 231.571 1.00 57.48 N +ATOM 11641 H HIS B 214 148.600 204.556 229.753 1.00 48.71 H +ATOM 11642 HA HIS B 214 150.250 203.585 231.572 1.00 57.06 H +ATOM 11643 HB2 HIS B 214 147.937 205.163 231.840 1.00 54.46 H +ATOM 11644 HB3 HIS B 214 148.784 204.700 233.102 1.00 54.46 H +ATOM 11645 HD2 HIS B 214 148.670 207.645 231.128 1.00 55.26 H +ATOM 11646 HE1 HIS B 214 152.450 207.533 232.298 1.00 61.85 H +ATOM 11647 HE2 HIS B 214 150.760 208.862 231.312 1.00 68.97 H +ATOM 11648 N LYS B 215 147.711 201.881 231.038 1.00 53.68 N +ATOM 11649 CA LYS B 215 147.157 200.557 231.302 1.00 54.55 C +ATOM 11650 C LYS B 215 148.291 199.541 231.373 1.00 60.36 C +ATOM 11651 O LYS B 215 148.288 198.647 232.218 1.00 77.52 O +ATOM 11652 CB LYS B 215 146.152 200.149 230.220 1.00 56.53 C +ATOM 11653 CG LYS B 215 144.698 200.365 230.594 1.00 71.88 C +ATOM 11654 CD LYS B 215 144.389 201.836 230.826 1.00 87.34 C +ATOM 11655 CE LYS B 215 143.064 202.014 231.543 1.00 95.48 C +ATOM 11656 NZ LYS B 215 142.907 203.399 232.063 1.00100.44 N +ATOM 11657 H LYS B 215 147.422 202.248 230.315 1.00 64.42 H +ATOM 11658 HA LYS B 215 146.700 200.565 232.158 1.00 65.46 H +ATOM 11659 HB2 LYS B 215 146.330 200.669 229.421 1.00 67.84 H +ATOM 11660 HB3 LYS B 215 146.268 199.206 230.028 1.00 67.84 H +ATOM 11661 HG2 LYS B 215 144.132 200.047 229.873 1.00 86.25 H +ATOM 11662 HG3 LYS B 215 144.503 199.881 231.412 1.00 86.25 H +ATOM 11663 HD2 LYS B 215 145.087 202.227 231.375 1.00104.81 H +ATOM 11664 HD3 LYS B 215 144.337 202.291 229.972 1.00104.81 H +ATOM 11665 HE2 LYS B 215 142.339 201.838 230.924 1.00114.58 H +ATOM 11666 HE3 LYS B 215 143.021 201.401 232.294 1.00114.58 H +ATOM 11667 HZ1 LYS B 215 142.124 203.480 232.479 1.00120.53 H +ATOM 11668 HZ2 LYS B 215 143.561 203.584 232.638 1.00120.53 H +ATOM 11669 HZ3 LYS B 215 142.940 203.981 231.391 1.00120.53 H +ATOM 11670 N ARG B 216 149.262 199.700 230.480 1.00 50.75 N +ATOM 11671 CA ARG B 216 150.393 198.788 230.384 1.00 40.82 C +ATOM 11672 C ARG B 216 151.554 199.208 231.272 1.00 33.46 C +ATOM 11673 O ARG B 216 152.182 198.380 231.929 1.00 43.55 O +ATOM 11674 CB ARG B 216 150.890 198.707 228.942 1.00 56.36 C +ATOM 11675 CG ARG B 216 149.867 198.237 227.928 1.00 49.10 C +ATOM 11676 CD ARG B 216 150.364 197.039 227.165 1.00 52.07 C +ATOM 11677 NE ARG B 216 149.966 197.035 225.761 1.00 63.56 N +ATOM 11678 CZ ARG B 216 149.890 195.938 225.013 1.00 74.62 C +ATOM 11679 NH1 ARG B 216 150.167 194.747 225.535 1.00 79.80 N +ATOM 11680 NH2 ARG B 216 149.526 196.026 223.744 1.00 78.25 N +ATOM 11681 H ARG B 216 149.287 200.342 229.908 1.00 60.90 H +ATOM 11682 HA ARG B 216 150.110 197.901 230.656 1.00 48.98 H +ATOM 11683 HB2 ARG B 216 151.187 199.589 228.670 1.00 67.63 H +ATOM 11684 HB3 ARG B 216 151.637 198.089 228.910 1.00 67.63 H +ATOM 11685 HG2 ARG B 216 149.050 197.989 228.388 1.00 58.93 H +ATOM 11686 HG3 ARG B 216 149.693 198.951 227.295 1.00 58.93 H +ATOM 11687 HD2 ARG B 216 151.333 197.025 227.199 1.00 62.49 H +ATOM 11688 HD3 ARG B 216 150.008 196.236 227.577 1.00 62.49 H +ATOM 11689 HE ARG B 216 149.695 197.776 225.418 1.00 76.27 H +ATOM 11690 HH11 ARG B 216 150.405 194.683 226.358 1.00 95.75 H +ATOM 11691 HH12 ARG B 216 150.113 194.041 225.046 1.00 95.75 H +ATOM 11692 HH21 ARG B 216 149.342 196.793 223.402 1.00 93.90 H +ATOM 11693 HH22 ARG B 216 149.471 195.316 223.262 1.00 93.90 H +ATOM 11694 N GLY B 217 151.849 200.502 231.261 1.00 36.42 N +ATOM 11695 CA GLY B 217 152.999 201.040 231.963 1.00 31.84 C +ATOM 11696 C GLY B 217 153.667 202.121 231.138 1.00 30.23 C +ATOM 11697 O GLY B 217 153.367 202.272 229.956 1.00 27.71 O +ATOM 11698 H GLY B 217 151.387 201.098 230.846 1.00 43.70 H +ATOM 11699 HA2 GLY B 217 152.720 201.420 232.811 1.00 38.21 H +ATOM 11700 HA3 GLY B 217 153.642 200.333 232.132 1.00 38.21 H +ATOM 11701 N PRO B 218 154.582 202.878 231.756 1.00 25.63 N +ATOM 11702 CA PRO B 218 155.260 204.000 231.096 1.00 28.02 C +ATOM 11703 C PRO B 218 156.115 203.590 229.895 1.00 31.24 C +ATOM 11704 O PRO B 218 156.454 204.439 229.073 1.00 26.16 O +ATOM 11705 CB PRO B 218 156.136 204.583 232.212 1.00 28.65 C +ATOM 11706 CG PRO B 218 156.283 203.499 233.205 1.00 27.46 C +ATOM 11707 CD PRO B 218 155.019 202.717 233.153 1.00 27.12 C +ATOM 11708 HA PRO B 218 154.612 204.666 230.817 1.00 33.63 H +ATOM 11709 HB2 PRO B 218 157.000 204.834 231.850 1.00 34.38 H +ATOM 11710 HB3 PRO B 218 155.694 205.351 232.607 1.00 34.38 H +ATOM 11711 HG2 PRO B 218 157.038 202.940 232.966 1.00 32.95 H +ATOM 11712 HG3 PRO B 218 156.409 203.882 234.087 1.00 32.95 H +ATOM 11713 HD2 PRO B 218 155.190 201.782 233.349 1.00 32.55 H +ATOM 11714 HD3 PRO B 218 154.362 203.094 233.759 1.00 32.55 H +ATOM 11715 N ALA B 219 156.452 202.309 229.797 1.00 30.96 N +ATOM 11716 CA ALA B 219 157.305 201.815 228.722 1.00 27.92 C +ATOM 11717 C ALA B 219 156.554 201.693 227.402 1.00 26.56 C +ATOM 11718 O ALA B 219 157.170 201.516 226.351 1.00 26.71 O +ATOM 11719 CB ALA B 219 157.900 200.469 229.103 1.00 26.89 C +ATOM 11720 H ALA B 219 156.197 201.699 230.347 1.00 37.15 H +ATOM 11721 HA ALA B 219 158.037 202.438 228.591 1.00 33.51 H +ATOM 11722 HB1 ALA B 219 158.463 200.156 228.378 1.00 32.27 H +ATOM 11723 HB2 ALA B 219 158.427 200.575 229.911 1.00 32.27 H +ATOM 11724 HB3 ALA B 219 157.179 199.839 229.258 1.00 32.27 H +ATOM 11725 N PHE B 220 155.230 201.792 227.463 1.00 21.30 N +ATOM 11726 CA PHE B 220 154.381 201.501 226.314 1.00 23.16 C +ATOM 11727 C PHE B 220 153.674 202.736 225.763 1.00 28.26 C +ATOM 11728 O PHE B 220 153.429 203.703 226.486 1.00 28.37 O +ATOM 11729 CB PHE B 220 153.352 200.438 226.698 1.00 32.46 C +ATOM 11730 CG PHE B 220 153.966 199.143 227.135 1.00 32.84 C +ATOM 11731 CD1 PHE B 220 154.226 198.901 228.473 1.00 39.70 C +ATOM 11732 CD2 PHE B 220 154.305 198.173 226.206 1.00 38.14 C +ATOM 11733 CE1 PHE B 220 154.799 197.709 228.879 1.00 47.54 C +ATOM 11734 CE2 PHE B 220 154.878 196.979 226.604 1.00 43.14 C +ATOM 11735 CZ PHE B 220 155.127 196.747 227.943 1.00 45.79 C +ATOM 11736 H PHE B 220 154.795 202.028 228.166 1.00 25.57 H +ATOM 11737 HA PHE B 220 154.932 201.136 225.604 1.00 27.79 H +ATOM 11738 HB2 PHE B 220 152.813 200.774 227.431 1.00 38.95 H +ATOM 11739 HB3 PHE B 220 152.788 200.256 225.930 1.00 38.95 H +ATOM 11740 HD1 PHE B 220 154.006 199.545 229.107 1.00 47.64 H +ATOM 11741 HD2 PHE B 220 154.139 198.324 225.303 1.00 45.77 H +ATOM 11742 HE1 PHE B 220 154.965 197.556 229.782 1.00 57.05 H +ATOM 11743 HE2 PHE B 220 155.098 196.334 225.971 1.00 51.77 H +ATOM 11744 HZ PHE B 220 155.512 195.946 228.214 1.00 54.94 H +ATOM 11745 N THR B 221 153.348 202.688 224.474 1.00 21.02 N +ATOM 11746 CA THR B 221 152.710 203.804 223.785 1.00 27.96 C +ATOM 11747 C THR B 221 151.503 203.347 222.977 1.00 28.05 C +ATOM 11748 O THR B 221 151.442 202.201 222.531 1.00 27.41 O +ATOM 11749 CB THR B 221 153.700 204.523 222.836 1.00 28.20 C +ATOM 11750 OG1 THR B 221 153.041 205.618 222.188 1.00 24.81 O +ATOM 11751 CG2 THR B 221 154.244 203.566 221.779 1.00 28.22 C +ATOM 11752 H THR B 221 153.490 202.006 223.969 1.00 25.23 H +ATOM 11753 HA THR B 221 152.404 204.447 224.443 1.00 33.55 H +ATOM 11754 HB THR B 221 154.448 204.862 223.352 1.00 33.84 H +ATOM 11755 HG1 THR B 221 152.763 206.166 222.761 1.00 29.77 H +ATOM 11756 HG21 THR B 221 154.861 204.034 221.195 1.00 33.86 H +ATOM 11757 HG22 THR B 221 154.711 202.831 222.207 1.00 33.86 H +ATOM 11758 HG23 THR B 221 153.515 203.210 221.248 1.00 33.86 H +ATOM 11759 N ASN B 222 150.546 204.253 222.796 1.00 30.16 N +ATOM 11760 CA ASN B 222 149.396 204.012 221.933 1.00 32.93 C +ATOM 11761 C ASN B 222 149.598 204.577 220.531 1.00 31.97 C +ATOM 11762 O ASN B 222 148.768 204.363 219.648 1.00 34.30 O +ATOM 11763 CB ASN B 222 148.132 204.620 222.543 1.00 39.20 C +ATOM 11764 CG ASN B 222 147.657 203.866 223.764 1.00 36.31 C +ATOM 11765 OD1 ASN B 222 147.619 202.637 223.774 1.00 40.11 O +ATOM 11766 ND2 ASN B 222 147.302 204.600 224.809 1.00 38.76 N +ATOM 11767 H ASN B 222 150.541 205.027 223.170 1.00 36.19 H +ATOM 11768 HA ASN B 222 149.258 203.055 221.852 1.00 39.51 H +ATOM 11769 HB2 ASN B 222 148.317 205.535 222.808 1.00 47.04 H +ATOM 11770 HB3 ASN B 222 147.421 204.602 221.884 1.00 47.04 H +ATOM 11771 HD21 ASN B 222 147.024 204.219 225.528 1.00 46.52 H +ATOM 11772 HD22 ASN B 222 147.349 205.458 224.767 1.00 46.52 H +ATOM 11773 N GLY B 223 150.696 205.304 220.337 1.00 27.88 N +ATOM 11774 CA GLY B 223 151.006 205.913 219.055 1.00 32.65 C +ATOM 11775 C GLY B 223 151.838 204.994 218.183 1.00 29.00 C +ATOM 11776 O GLY B 223 153.050 205.176 218.050 1.00 25.60 O +ATOM 11777 H GLY B 223 151.284 205.460 220.945 1.00 33.46 H +ATOM 11778 HA2 GLY B 223 150.182 206.122 218.587 1.00 39.19 H +ATOM 11779 HA3 GLY B 223 151.499 206.736 219.196 1.00 39.19 H +ATOM 11780 N LEU B 224 151.180 204.009 217.579 1.00 24.82 N +ATOM 11781 CA LEU B 224 151.865 202.974 216.815 1.00 32.57 C +ATOM 11782 C LEU B 224 152.351 203.477 215.459 1.00 34.54 C +ATOM 11783 O LEU B 224 153.017 202.748 214.724 1.00 34.68 O +ATOM 11784 CB LEU B 224 150.944 201.769 216.629 1.00 30.52 C +ATOM 11785 CG LEU B 224 150.392 201.155 217.922 1.00 36.44 C +ATOM 11786 CD1 LEU B 224 149.526 199.951 217.603 1.00 32.52 C +ATOM 11787 CD2 LEU B 224 151.509 200.767 218.886 1.00 29.20 C +ATOM 11788 H LEU B 224 150.325 203.918 217.597 1.00 29.79 H +ATOM 11789 HA LEU B 224 152.642 202.679 217.317 1.00 39.09 H +ATOM 11790 HB2 LEU B 224 150.185 202.043 216.090 1.00 36.62 H +ATOM 11791 HB3 LEU B 224 151.437 201.074 216.165 1.00 36.62 H +ATOM 11792 HG LEU B 224 149.834 201.812 218.365 1.00 43.73 H +ATOM 11793 HD11 LEU B 224 149.188 199.578 218.432 1.00 39.03 H +ATOM 11794 HD12 LEU B 224 148.788 200.234 217.041 1.00 39.03 H +ATOM 11795 HD13 LEU B 224 150.063 199.291 217.137 1.00 39.03 H +ATOM 11796 HD21 LEU B 224 151.116 200.385 219.686 1.00 35.04 H +ATOM 11797 HD22 LEU B 224 152.085 200.116 218.456 1.00 35.04 H +ATOM 11798 HD23 LEU B 224 152.018 201.560 219.114 1.00 35.04 H +ATOM 11799 N GLY B 225 152.008 204.716 215.127 1.00 29.33 N +ATOM 11800 CA GLY B 225 152.540 205.358 213.940 1.00 25.51 C +ATOM 11801 C GLY B 225 153.954 205.853 214.187 1.00 23.10 C +ATOM 11802 O GLY B 225 154.727 206.047 213.250 1.00 26.97 O +ATOM 11803 H GLY B 225 151.466 205.208 215.578 1.00 35.19 H +ATOM 11804 HA2 GLY B 225 152.554 204.728 213.203 1.00 30.61 H +ATOM 11805 HA3 GLY B 225 151.982 206.113 213.696 1.00 30.61 H +ATOM 11806 N HIS B 226 154.278 206.060 215.460 1.00 21.89 N +ATOM 11807 CA HIS B 226 155.612 206.476 215.888 1.00 25.54 C +ATOM 11808 C HIS B 226 156.138 207.672 215.100 1.00 27.46 C +ATOM 11809 O HIS B 226 157.237 207.639 214.546 1.00 28.42 O +ATOM 11810 CB HIS B 226 156.586 205.301 215.782 1.00 22.96 C +ATOM 11811 CG HIS B 226 156.419 204.290 216.871 1.00 17.66 C +ATOM 11812 ND1 HIS B 226 157.077 204.386 218.077 1.00 21.62 N +ATOM 11813 CD2 HIS B 226 155.660 203.172 216.945 1.00 18.94 C +ATOM 11814 CE1 HIS B 226 156.737 203.368 218.844 1.00 22.32 C +ATOM 11815 NE2 HIS B 226 155.877 202.616 218.181 1.00 22.51 N +ATOM 11816 H HIS B 226 153.727 205.963 216.113 1.00 26.27 H +ATOM 11817 HA HIS B 226 155.569 206.737 216.821 1.00 30.65 H +ATOM 11818 HB2 HIS B 226 156.444 204.851 214.934 1.00 27.55 H +ATOM 11819 HB3 HIS B 226 157.494 205.640 215.828 1.00 27.55 H +ATOM 11820 HD2 HIS B 226 155.098 202.841 216.281 1.00 22.73 H +ATOM 11821 HE1 HIS B 226 157.049 203.207 219.706 1.00 26.79 H +ATOM 11822 HE2 HIS B 226 155.514 201.895 218.476 1.00 27.02 H +ATOM 11823 N GLY B 227 155.347 208.737 215.063 1.00 27.17 N +ATOM 11824 CA GLY B 227 155.773 209.960 214.418 1.00 29.09 C +ATOM 11825 C GLY B 227 154.624 210.889 214.105 1.00 28.91 C +ATOM 11826 O GLY B 227 153.604 210.903 214.794 1.00 21.87 O +ATOM 11827 H GLY B 227 154.559 208.772 215.405 1.00 32.60 H +ATOM 11828 HA2 GLY B 227 156.396 210.428 214.996 1.00 34.91 H +ATOM 11829 HA3 GLY B 227 156.227 209.745 213.589 1.00 34.91 H +ATOM 11830 N VAL B 228 154.798 211.665 213.045 1.00 28.42 N +ATOM 11831 CA VAL B 228 153.841 212.693 212.672 1.00 28.40 C +ATOM 11832 C VAL B 228 152.834 212.154 211.658 1.00 25.01 C +ATOM 11833 O VAL B 228 152.956 212.396 210.459 1.00 24.78 O +ATOM 11834 CB VAL B 228 154.560 213.924 212.097 1.00 31.35 C +ATOM 11835 CG1 VAL B 228 153.578 215.066 211.871 1.00 24.61 C +ATOM 11836 CG2 VAL B 228 155.684 214.364 213.034 1.00 22.14 C +ATOM 11837 H VAL B 228 155.474 211.614 212.516 1.00 34.11 H +ATOM 11838 HA VAL B 228 153.353 212.972 213.462 1.00 34.08 H +ATOM 11839 HB VAL B 228 154.954 213.691 211.242 1.00 37.62 H +ATOM 11840 HG11 VAL B 228 154.057 215.827 211.508 1.00 29.53 H +ATOM 11841 HG12 VAL B 228 152.896 214.775 211.245 1.00 29.53 H +ATOM 11842 HG13 VAL B 228 153.170 215.304 212.718 1.00 29.53 H +ATOM 11843 HG21 VAL B 228 156.125 215.140 212.654 1.00 26.57 H +ATOM 11844 HG22 VAL B 228 155.304 214.588 213.898 1.00 26.57 H +ATOM 11845 HG23 VAL B 228 156.318 213.636 213.129 1.00 26.57 H +ATOM 11846 N ASP B 229 151.847 211.408 212.150 1.00 23.97 N +ATOM 11847 CA ASP B 229 150.789 210.867 211.303 1.00 27.01 C +ATOM 11848 C ASP B 229 149.482 211.639 211.482 1.00 24.82 C +ATOM 11849 O ASP B 229 148.493 211.366 210.805 1.00 23.71 O +ATOM 11850 CB ASP B 229 150.571 209.378 211.594 1.00 29.08 C +ATOM 11851 CG ASP B 229 150.200 209.100 213.040 1.00 21.85 C +ATOM 11852 OD1 ASP B 229 149.996 210.052 213.818 1.00 24.05 O +ATOM 11853 OD2 ASP B 229 150.102 207.908 213.395 1.00 27.55 O +ATOM 11854 H ASP B 229 151.768 211.199 212.980 1.00 28.77 H +ATOM 11855 HA ASP B 229 151.058 210.952 210.375 1.00 32.41 H +ATOM 11856 HB2 ASP B 229 149.852 209.049 211.032 1.00 34.89 H +ATOM 11857 HB3 ASP B 229 151.390 208.896 211.398 1.00 34.89 H +ATOM 11858 N LEU B 230 149.492 212.601 212.399 1.00 25.12 N +ATOM 11859 CA LEU B 230 148.333 213.444 212.674 1.00 31.00 C +ATOM 11860 C LEU B 230 147.145 212.613 213.179 1.00 33.81 C +ATOM 11861 O LEU B 230 145.986 212.909 212.880 1.00 28.55 O +ATOM 11862 CB LEU B 230 147.953 214.256 211.425 1.00 30.50 C +ATOM 11863 CG LEU B 230 148.513 215.685 211.395 1.00 27.33 C +ATOM 11864 CD1 LEU B 230 150.033 215.701 211.537 1.00 20.76 C +ATOM 11865 CD2 LEU B 230 148.087 216.387 210.124 1.00 26.62 C +ATOM 11866 H LEU B 230 150.175 212.790 212.886 1.00 30.14 H +ATOM 11867 HA LEU B 230 148.567 214.074 213.373 1.00 37.20 H +ATOM 11868 HB2 LEU B 230 148.288 213.793 210.641 1.00 36.60 H +ATOM 11869 HB3 LEU B 230 146.986 214.319 211.378 1.00 36.60 H +ATOM 11870 HG LEU B 230 148.143 216.179 212.143 1.00 32.80 H +ATOM 11871 HD11 LEU B 230 150.342 216.620 211.513 1.00 24.92 H +ATOM 11872 HD12 LEU B 230 150.275 215.292 212.382 1.00 24.92 H +ATOM 11873 HD13 LEU B 230 150.423 215.202 210.803 1.00 24.92 H +ATOM 11874 HD21 LEU B 230 148.450 217.286 210.124 1.00 31.95 H +ATOM 11875 HD22 LEU B 230 148.426 215.892 209.362 1.00 31.95 H +ATOM 11876 HD23 LEU B 230 147.118 216.420 210.093 1.00 31.95 H +ATOM 11877 N ASN B 231 147.441 211.581 213.964 1.00 22.92 N +ATOM 11878 CA ASN B 231 146.395 210.789 214.596 1.00 31.08 C +ATOM 11879 C ASN B 231 145.654 211.603 215.652 1.00 25.20 C +ATOM 11880 O ASN B 231 144.525 211.284 216.023 1.00 21.30 O +ATOM 11881 CB ASN B 231 146.981 209.530 215.234 1.00 26.55 C +ATOM 11882 CG ASN B 231 147.790 209.827 216.480 1.00 26.91 C +ATOM 11883 OD1 ASN B 231 147.247 209.912 217.579 1.00 26.37 O +ATOM 11884 ND2 ASN B 231 149.096 209.985 216.314 1.00 27.40 N +ATOM 11885 H ASN B 231 148.241 211.320 214.145 1.00 27.51 H +ATOM 11886 HA ASN B 231 145.754 210.516 213.922 1.00 37.29 H +ATOM 11887 HB2 ASN B 231 146.256 208.935 215.481 1.00 31.86 H +ATOM 11888 HB3 ASN B 231 147.565 209.094 214.594 1.00 31.86 H +ATOM 11889 HD21 ASN B 231 149.598 210.155 216.992 1.00 32.88 H +ATOM 11890 HD22 ASN B 231 149.441 209.917 215.530 1.00 32.88 H +ATOM 11891 N HIS B 232 146.297 212.657 216.140 1.00 22.04 N +ATOM 11892 CA HIS B 232 145.676 213.515 217.137 1.00 30.13 C +ATOM 11893 C HIS B 232 144.578 214.387 216.515 1.00 28.87 C +ATOM 11894 O HIS B 232 143.844 215.068 217.229 1.00 24.51 O +ATOM 11895 CB HIS B 232 146.730 214.379 217.838 1.00 26.46 C +ATOM 11896 CG HIS B 232 147.449 215.334 216.937 1.00 24.70 C +ATOM 11897 ND1 HIS B 232 147.640 215.104 215.592 1.00 24.48 N +ATOM 11898 CD2 HIS B 232 148.040 216.524 217.200 1.00 23.80 C +ATOM 11899 CE1 HIS B 232 148.310 216.113 215.064 1.00 22.24 C +ATOM 11900 NE2 HIS B 232 148.566 216.987 216.019 1.00 23.97 N +ATOM 11901 H HIS B 232 147.091 212.896 215.911 1.00 26.45 H +ATOM 11902 HA HIS B 232 145.260 212.955 217.811 1.00 36.16 H +ATOM 11903 HB2 HIS B 232 146.293 214.900 218.531 1.00 31.76 H +ATOM 11904 HB3 HIS B 232 147.393 213.795 218.238 1.00 31.76 H +ATOM 11905 HD2 HIS B 232 148.081 216.949 218.026 1.00 28.56 H +ATOM 11906 HE1 HIS B 232 148.559 216.193 214.172 1.00 26.69 H +ATOM 11907 HE2 HIS B 232 148.991 217.728 215.918 1.00 28.76 H +ATOM 11908 N ILE B 233 144.467 214.339 215.189 1.00 27.14 N +ATOM 11909 CA ILE B 233 143.374 214.979 214.459 1.00 26.55 C +ATOM 11910 C ILE B 233 142.396 213.937 213.917 1.00 30.86 C +ATOM 11911 O ILE B 233 141.179 214.094 214.038 1.00 30.65 O +ATOM 11912 CB ILE B 233 143.901 215.826 213.281 1.00 27.03 C +ATOM 11913 CG1 ILE B 233 144.678 217.035 213.798 1.00 26.78 C +ATOM 11914 CG2 ILE B 233 142.747 216.298 212.378 1.00 32.92 C +ATOM 11915 CD1 ILE B 233 145.460 217.757 212.721 1.00 35.77 C +ATOM 11916 H ILE B 233 145.026 213.933 214.678 1.00 32.57 H +ATOM 11917 HA ILE B 233 142.890 215.565 215.061 1.00 31.86 H +ATOM 11918 HB ILE B 233 144.501 215.278 212.751 1.00 32.43 H +ATOM 11919 HG12 ILE B 233 144.052 217.668 214.185 1.00 32.13 H +ATOM 11920 HG13 ILE B 233 145.307 216.738 214.474 1.00 32.13 H +ATOM 11921 HG21 ILE B 233 143.111 216.826 211.650 1.00 39.50 H +ATOM 11922 HG22 ILE B 233 142.284 215.521 212.026 1.00 39.50 H +ATOM 11923 HG23 ILE B 233 142.135 216.837 212.905 1.00 39.50 H +ATOM 11924 HD11 ILE B 233 145.925 218.509 213.120 1.00 42.92 H +ATOM 11925 HD12 ILE B 233 146.100 217.141 212.330 1.00 42.92 H +ATOM 11926 HD13 ILE B 233 144.844 218.071 212.041 1.00 42.92 H +ATOM 11927 N TYR B 234 142.934 212.875 213.323 1.00 21.82 N +ATOM 11928 CA TYR B 234 142.123 211.908 212.588 1.00 26.76 C +ATOM 11929 C TYR B 234 141.821 210.632 213.368 1.00 25.04 C +ATOM 11930 O TYR B 234 140.979 209.840 212.955 1.00 24.77 O +ATOM 11931 CB TYR B 234 142.818 211.534 211.280 1.00 27.74 C +ATOM 11932 CG TYR B 234 143.099 212.714 210.387 1.00 30.60 C +ATOM 11933 CD1 TYR B 234 142.071 213.363 209.713 1.00 30.89 C +ATOM 11934 CD2 TYR B 234 144.393 213.181 210.214 1.00 31.69 C +ATOM 11935 CE1 TYR B 234 142.331 214.444 208.894 1.00 35.63 C +ATOM 11936 CE2 TYR B 234 144.658 214.257 209.401 1.00 32.15 C +ATOM 11937 CZ TYR B 234 143.629 214.883 208.743 1.00 34.60 C +ATOM 11938 OH TYR B 234 143.914 215.955 207.937 1.00 35.09 O +ATOM 11939 H TYR B 234 143.774 212.691 213.331 1.00 26.19 H +ATOM 11940 HA TYR B 234 141.276 212.323 212.363 1.00 32.11 H +ATOM 11941 HB2 TYR B 234 143.665 211.109 211.486 1.00 33.29 H +ATOM 11942 HB3 TYR B 234 142.251 210.918 210.790 1.00 33.29 H +ATOM 11943 HD1 TYR B 234 141.196 213.064 209.815 1.00 37.07 H +ATOM 11944 HD2 TYR B 234 145.094 212.760 210.657 1.00 38.03 H +ATOM 11945 HE1 TYR B 234 141.636 214.871 208.447 1.00 42.76 H +ATOM 11946 HE2 TYR B 234 145.531 214.558 209.295 1.00 38.58 H +ATOM 11947 HH TYR B 234 143.207 216.252 207.594 1.00 42.11 H +ATOM 11948 N GLY B 235 142.509 210.434 214.485 1.00 25.63 N +ATOM 11949 CA GLY B 235 142.347 209.226 215.272 1.00 28.48 C +ATOM 11950 C GLY B 235 143.394 208.176 214.944 1.00 31.22 C +ATOM 11951 O GLY B 235 143.867 208.077 213.810 1.00 24.85 O +ATOM 11952 H GLY B 235 143.080 210.990 214.809 1.00 30.75 H +ATOM 11953 HA2 GLY B 235 142.414 209.443 216.215 1.00 34.17 H +ATOM 11954 HA3 GLY B 235 141.470 208.847 215.105 1.00 34.17 H +ATOM 11955 N GLU B 236 143.749 207.388 215.951 1.00 34.15 N +ATOM 11956 CA GLU B 236 144.761 206.350 215.808 1.00 34.35 C +ATOM 11957 C GLU B 236 144.258 205.202 214.935 1.00 36.54 C +ATOM 11958 O GLU B 236 144.964 204.741 214.040 1.00 42.61 O +ATOM 11959 CB GLU B 236 145.173 205.833 217.191 1.00 27.97 C +ATOM 11960 CG GLU B 236 146.192 204.701 217.187 1.00 39.64 C +ATOM 11961 CD GLU B 236 147.596 205.144 216.805 1.00 41.27 C +ATOM 11962 OE1 GLU B 236 147.928 206.341 216.964 1.00 29.13 O +ATOM 11963 OE2 GLU B 236 148.374 204.282 216.349 1.00 38.82 O +ATOM 11964 H GLU B 236 143.412 207.435 216.740 1.00 40.98 H +ATOM 11965 HA GLU B 236 145.546 206.729 215.383 1.00 41.22 H +ATOM 11966 HB2 GLU B 236 145.556 206.569 217.693 1.00 33.56 H +ATOM 11967 HB3 GLU B 236 144.380 205.509 217.646 1.00 33.56 H +ATOM 11968 HG2 GLU B 236 146.234 204.315 218.076 1.00 47.57 H +ATOM 11969 HG3 GLU B 236 145.910 204.028 216.549 1.00 47.57 H +ATOM 11970 N THR B 237 143.035 204.751 215.195 1.00 33.52 N +ATOM 11971 CA THR B 237 142.459 203.614 214.481 1.00 30.36 C +ATOM 11972 C THR B 237 141.500 204.050 213.379 1.00 33.76 C +ATOM 11973 O THR B 237 140.998 205.176 213.382 1.00 31.48 O +ATOM 11974 CB THR B 237 141.700 202.679 215.439 1.00 36.91 C +ATOM 11975 OG1 THR B 237 140.519 203.333 215.919 1.00 39.40 O +ATOM 11976 CG2 THR B 237 142.582 202.284 216.616 1.00 48.36 C +ATOM 11977 H THR B 237 142.512 205.091 215.787 1.00 40.22 H +ATOM 11978 HA THR B 237 143.175 203.105 214.070 1.00 36.43 H +ATOM 11979 HB THR B 237 141.448 201.872 214.964 1.00 44.29 H +ATOM 11980 HG1 THR B 237 140.102 202.825 216.442 1.00 47.28 H +ATOM 11981 HG21 THR B 237 142.094 201.695 217.213 1.00 58.03 H +ATOM 11982 HG22 THR B 237 143.374 201.823 216.297 1.00 58.03 H +ATOM 11983 HG23 THR B 237 142.854 203.075 217.107 1.00 58.03 H +ATOM 11984 N LEU B 238 141.248 203.148 212.436 1.00 29.60 N +ATOM 11985 CA LEU B 238 140.307 203.418 211.358 1.00 33.71 C +ATOM 11986 C LEU B 238 138.897 203.584 211.907 1.00 37.05 C +ATOM 11987 O LEU B 238 138.120 204.394 211.408 1.00 33.20 O +ATOM 11988 CB LEU B 238 140.334 202.297 210.321 1.00 29.64 C +ATOM 11989 CG LEU B 238 139.342 202.458 209.164 1.00 40.16 C +ATOM 11990 CD1 LEU B 238 139.663 203.701 208.348 1.00 38.61 C +ATOM 11991 CD2 LEU B 238 139.332 201.220 208.281 1.00 43.63 C +ATOM 11992 H LEU B 238 141.610 202.369 212.398 1.00 35.52 H +ATOM 11993 HA LEU B 238 140.558 204.245 210.916 1.00 40.46 H +ATOM 11994 HB2 LEU B 238 141.225 202.253 209.938 1.00 35.56 H +ATOM 11995 HB3 LEU B 238 140.130 201.460 210.766 1.00 35.56 H +ATOM 11996 HG LEU B 238 138.451 202.567 209.530 1.00 48.19 H +ATOM 11997 HD11 LEU B 238 139.021 203.778 207.624 1.00 46.33 H +ATOM 11998 HD12 LEU B 238 139.607 204.480 208.924 1.00 46.33 H +ATOM 11999 HD13 LEU B 238 140.560 203.619 207.987 1.00 46.33 H +ATOM 12000 HD21 LEU B 238 138.697 201.352 207.560 1.00 52.35 H +ATOM 12001 HD22 LEU B 238 140.221 201.085 207.918 1.00 52.35 H +ATOM 12002 HD23 LEU B 238 139.072 200.454 208.816 1.00 52.35 H +ATOM 12003 N ALA B 239 138.573 202.808 212.935 1.00 39.09 N +ATOM 12004 CA ALA B 239 137.257 202.873 213.560 1.00 33.36 C +ATOM 12005 C ALA B 239 136.978 204.272 214.094 1.00 33.07 C +ATOM 12006 O ALA B 239 135.888 204.812 213.902 1.00 34.46 O +ATOM 12007 CB ALA B 239 137.154 201.851 214.678 1.00 24.91 C +ATOM 12008 H ALA B 239 139.101 202.231 213.292 1.00 46.91 H +ATOM 12009 HA ALA B 239 136.581 202.663 212.897 1.00 40.03 H +ATOM 12010 HB1 ALA B 239 136.273 201.911 215.079 1.00 29.89 H +ATOM 12011 HB2 ALA B 239 137.290 200.964 214.308 1.00 29.89 H +ATOM 12012 HB3 ALA B 239 137.834 202.041 215.343 1.00 29.89 H +ATOM 12013 N ARG B 240 137.966 204.857 214.761 1.00 30.53 N +ATOM 12014 CA ARG B 240 137.809 206.190 215.326 1.00 32.46 C +ATOM 12015 C ARG B 240 137.743 207.232 214.216 1.00 30.37 C +ATOM 12016 O ARG B 240 136.942 208.161 214.282 1.00 33.63 O +ATOM 12017 CB ARG B 240 138.954 206.511 216.289 1.00 32.35 C +ATOM 12018 CG ARG B 240 138.776 207.831 217.031 1.00 40.15 C +ATOM 12019 CD ARG B 240 139.764 207.970 218.176 1.00 36.74 C +ATOM 12020 NE ARG B 240 139.652 209.265 218.844 1.00 42.08 N +ATOM 12021 CZ ARG B 240 138.842 209.526 219.867 1.00 42.85 C +ATOM 12022 NH1 ARG B 240 138.052 208.582 220.364 1.00 42.20 N +ATOM 12023 NH2 ARG B 240 138.820 210.740 220.396 1.00 41.85 N +ATOM 12024 H ARG B 240 138.737 204.503 214.900 1.00 36.64 H +ATOM 12025 HA ARG B 240 136.978 206.228 215.823 1.00 38.95 H +ATOM 12026 HB2 ARG B 240 139.014 205.804 216.950 1.00 38.82 H +ATOM 12027 HB3 ARG B 240 139.781 206.563 215.785 1.00 38.82 H +ATOM 12028 HG2 ARG B 240 138.921 208.566 216.415 1.00 48.18 H +ATOM 12029 HG3 ARG B 240 137.879 207.872 217.398 1.00 48.18 H +ATOM 12030 HD2 ARG B 240 139.590 207.276 218.831 1.00 44.09 H +ATOM 12031 HD3 ARG B 240 140.666 207.885 217.830 1.00 44.09 H +ATOM 12032 HE ARG B 240 140.146 209.906 218.554 1.00 50.49 H +ATOM 12033 HH11 ARG B 240 138.060 207.792 220.025 1.00 50.64 H +ATOM 12034 HH12 ARG B 240 137.532 208.761 221.025 1.00 50.64 H +ATOM 12035 HH21 ARG B 240 139.329 211.356 220.079 1.00 50.22 H +ATOM 12036 HH22 ARG B 240 138.298 210.911 221.057 1.00 50.22 H +ATOM 12037 N GLN B 241 138.586 207.068 213.200 1.00 30.67 N +ATOM 12038 CA GLN B 241 138.578 207.947 212.035 1.00 32.21 C +ATOM 12039 C GLN B 241 137.188 208.034 211.419 1.00 34.35 C +ATOM 12040 O GLN B 241 136.729 209.111 211.043 1.00 28.43 O +ATOM 12041 CB GLN B 241 139.578 207.455 210.986 1.00 27.76 C +ATOM 12042 CG GLN B 241 139.628 208.294 209.712 1.00 27.63 C +ATOM 12043 CD GLN B 241 140.259 207.560 208.545 1.00 31.03 C +ATOM 12044 OE1 GLN B 241 139.587 207.242 207.564 1.00 35.15 O +ATOM 12045 NE2 GLN B 241 141.554 207.294 208.639 1.00 36.12 N +ATOM 12046 H GLN B 241 139.179 206.447 213.161 1.00 36.80 H +ATOM 12047 HA GLN B 241 138.842 208.839 212.309 1.00 38.65 H +ATOM 12048 HB2 GLN B 241 140.466 207.461 211.377 1.00 33.31 H +ATOM 12049 HB3 GLN B 241 139.341 206.549 210.732 1.00 33.31 H +ATOM 12050 HG2 GLN B 241 138.724 208.538 209.459 1.00 33.16 H +ATOM 12051 HG3 GLN B 241 140.152 209.093 209.880 1.00 33.16 H +ATOM 12052 HE21 GLN B 241 141.994 207.538 209.337 1.00 43.34 H +ATOM 12053 HE22 GLN B 241 141.955 206.879 208.001 1.00 43.34 H +ATOM 12054 N ARG B 242 136.524 206.889 211.319 1.00 34.12 N +ATOM 12055 CA ARG B 242 135.221 206.818 210.679 1.00 34.55 C +ATOM 12056 C ARG B 242 134.150 207.536 211.493 1.00 34.09 C +ATOM 12057 O ARG B 242 133.205 208.087 210.934 1.00 32.04 O +ATOM 12058 CB ARG B 242 134.830 205.361 210.452 1.00 30.40 C +ATOM 12059 CG ARG B 242 135.600 204.711 209.321 1.00 33.07 C +ATOM 12060 CD ARG B 242 135.194 203.271 209.121 1.00 39.25 C +ATOM 12061 NE ARG B 242 135.758 202.726 207.893 1.00 50.28 N +ATOM 12062 CZ ARG B 242 135.460 201.530 207.396 1.00 60.08 C +ATOM 12063 NH1 ARG B 242 134.593 200.742 208.020 1.00 74.55 N +ATOM 12064 NH2 ARG B 242 136.027 201.123 206.271 1.00 72.80 N +ATOM 12065 H ARG B 242 136.811 206.135 211.617 1.00 40.94 H +ATOM 12066 HA ARG B 242 135.274 207.250 209.812 1.00 41.46 H +ATOM 12067 HB2 ARG B 242 135.006 204.858 211.262 1.00 36.48 H +ATOM 12068 HB3 ARG B 242 133.885 205.318 210.235 1.00 36.48 H +ATOM 12069 HG2 ARG B 242 135.424 205.192 208.497 1.00 39.69 H +ATOM 12070 HG3 ARG B 242 136.548 204.732 209.526 1.00 39.69 H +ATOM 12071 HD2 ARG B 242 135.517 202.741 209.866 1.00 47.10 H +ATOM 12072 HD3 ARG B 242 134.228 203.216 209.062 1.00 47.10 H +ATOM 12073 HE ARG B 242 136.323 203.210 207.461 1.00 60.34 H +ATOM 12074 HH11 ARG B 242 134.223 201.004 208.751 1.00 89.46 H +ATOM 12075 HH12 ARG B 242 134.403 199.970 207.695 1.00 89.46 H +ATOM 12076 HH21 ARG B 242 136.589 201.632 205.864 1.00 87.36 H +ATOM 12077 HH22 ARG B 242 135.834 200.350 205.947 1.00 87.36 H +ATOM 12078 N LYS B 243 134.305 207.531 212.812 1.00 31.55 N +ATOM 12079 CA LYS B 243 133.393 208.253 213.688 1.00 29.97 C +ATOM 12080 C LYS B 243 133.515 209.760 213.491 1.00 36.03 C +ATOM 12081 O LYS B 243 132.531 210.489 213.591 1.00 43.24 O +ATOM 12082 CB LYS B 243 133.664 207.906 215.150 1.00 26.46 C +ATOM 12083 CG LYS B 243 133.310 206.486 215.536 1.00 29.34 C +ATOM 12084 CD LYS B 243 133.653 206.225 216.990 1.00 38.54 C +ATOM 12085 CE LYS B 243 133.060 204.917 217.482 1.00 42.19 C +ATOM 12086 NZ LYS B 243 133.412 204.659 218.904 1.00 55.83 N +ATOM 12087 H LYS B 243 134.934 207.115 213.226 1.00 37.86 H +ATOM 12088 HA LYS B 243 132.481 207.994 213.480 1.00 35.96 H +ATOM 12089 HB2 LYS B 243 134.610 208.032 215.328 1.00 31.75 H +ATOM 12090 HB3 LYS B 243 133.144 208.502 215.712 1.00 31.75 H +ATOM 12091 HG2 LYS B 243 132.358 206.347 215.415 1.00 35.21 H +ATOM 12092 HG3 LYS B 243 133.815 205.867 214.985 1.00 35.21 H +ATOM 12093 HD2 LYS B 243 134.617 206.176 217.087 1.00 46.25 H +ATOM 12094 HD3 LYS B 243 133.297 206.943 217.536 1.00 46.25 H +ATOM 12095 HE2 LYS B 243 132.094 204.957 217.411 1.00 50.63 H +ATOM 12096 HE3 LYS B 243 133.407 204.187 216.946 1.00 50.63 H +ATOM 12097 HZ1 LYS B 243 133.055 203.889 219.171 1.00 66.99 H +ATOM 12098 HZ2 LYS B 243 134.297 204.615 218.995 1.00 66.99 H +ATOM 12099 HZ3 LYS B 243 133.101 205.316 219.418 1.00 66.99 H +ATOM 12100 N LEU B 244 134.730 210.221 213.215 1.00 39.52 N +ATOM 12101 CA LEU B 244 135.010 211.652 213.136 1.00 37.31 C +ATOM 12102 C LEU B 244 134.742 212.234 211.754 1.00 31.77 C +ATOM 12103 O LEU B 244 134.528 213.437 211.618 1.00 33.60 O +ATOM 12104 CB LEU B 244 136.462 211.924 213.528 1.00 33.79 C +ATOM 12105 CG LEU B 244 136.837 211.608 214.977 1.00 37.82 C +ATOM 12106 CD1 LEU B 244 138.335 211.787 215.185 1.00 33.00 C +ATOM 12107 CD2 LEU B 244 136.049 212.480 215.945 1.00 42.69 C +ATOM 12108 H LEU B 244 135.415 209.722 213.068 1.00 47.42 H +ATOM 12109 HA LEU B 244 134.440 212.116 213.768 1.00 44.77 H +ATOM 12110 HB2 LEU B 244 137.037 211.390 212.958 1.00 40.55 H +ATOM 12111 HB3 LEU B 244 136.647 212.865 213.381 1.00 40.55 H +ATOM 12112 HG LEU B 244 136.618 210.681 215.164 1.00 45.38 H +ATOM 12113 HD11 LEU B 244 138.552 211.582 216.108 1.00 39.60 H +ATOM 12114 HD12 LEU B 244 138.810 211.185 214.592 1.00 39.60 H +ATOM 12115 HD13 LEU B 244 138.573 212.706 214.985 1.00 39.60 H +ATOM 12116 HD21 LEU B 244 136.308 212.257 216.853 1.00 51.23 H +ATOM 12117 HD22 LEU B 244 136.248 213.412 215.763 1.00 51.23 H +ATOM 12118 HD23 LEU B 244 135.102 212.313 215.820 1.00 51.23 H +ATOM 12119 N ARG B 245 134.757 211.385 210.734 1.00 25.51 N +ATOM 12120 CA ARG B 245 134.590 211.850 209.363 1.00 29.85 C +ATOM 12121 C ARG B 245 133.127 212.105 209.015 1.00 33.54 C +ATOM 12122 O ARG B 245 132.219 211.540 209.625 1.00 32.69 O +ATOM 12123 CB ARG B 245 135.193 210.838 208.388 1.00 30.39 C +ATOM 12124 CG ARG B 245 136.705 210.949 208.249 1.00 27.68 C +ATOM 12125 CD ARG B 245 137.266 209.849 207.364 1.00 31.24 C +ATOM 12126 NE ARG B 245 136.793 209.940 205.986 1.00 30.28 N +ATOM 12127 CZ ARG B 245 137.054 209.038 205.044 1.00 35.40 C +ATOM 12128 NH1 ARG B 245 137.785 207.967 205.325 1.00 34.57 N +ATOM 12129 NH2 ARG B 245 136.584 209.205 203.818 1.00 28.61 N +ATOM 12130 H ARG B 245 134.862 210.535 210.809 1.00 30.61 H +ATOM 12131 HA ARG B 245 135.070 212.686 209.257 1.00 35.82 H +ATOM 12132 HB2 ARG B 245 134.989 209.942 208.700 1.00 36.47 H +ATOM 12133 HB3 ARG B 245 134.803 210.978 207.511 1.00 36.47 H +ATOM 12134 HG2 ARG B 245 136.927 211.804 207.848 1.00 33.22 H +ATOM 12135 HG3 ARG B 245 137.114 210.873 209.125 1.00 33.22 H +ATOM 12136 HD2 ARG B 245 138.234 209.913 207.354 1.00 37.49 H +ATOM 12137 HD3 ARG B 245 136.994 208.988 207.719 1.00 37.49 H +ATOM 12138 HE ARG B 245 136.314 210.620 205.769 1.00 36.33 H +ATOM 12139 HH11 ARG B 245 138.094 207.853 206.119 1.00 41.48 H +ATOM 12140 HH12 ARG B 245 137.951 207.387 204.712 1.00 41.48 H +ATOM 12141 HH21 ARG B 245 136.109 209.896 203.630 1.00 34.34 H +ATOM 12142 HH22 ARG B 245 136.753 208.620 203.210 1.00 34.34 H +ATOM 12143 N LEU B 246 132.914 212.970 208.029 1.00 34.24 N +ATOM 12144 CA LEU B 246 131.575 213.324 207.571 1.00 35.30 C +ATOM 12145 C LEU B 246 131.163 212.466 206.383 1.00 33.41 C +ATOM 12146 O LEU B 246 129.978 212.264 206.131 1.00 42.01 O +ATOM 12147 CB LEU B 246 131.518 214.805 207.193 1.00 34.81 C +ATOM 12148 CG LEU B 246 130.152 215.345 206.767 1.00 44.23 C +ATOM 12149 CD1 LEU B 246 129.151 215.252 207.910 1.00 35.54 C +ATOM 12150 CD2 LEU B 246 130.282 216.778 206.277 1.00 34.53 C +ATOM 12151 H LEU B 246 133.541 213.372 207.600 1.00 41.08 H +ATOM 12152 HA LEU B 246 130.941 213.170 208.289 1.00 42.35 H +ATOM 12153 HB2 LEU B 246 131.807 215.325 207.959 1.00 41.77 H +ATOM 12154 HB3 LEU B 246 132.129 214.953 206.455 1.00 41.77 H +ATOM 12155 HG LEU B 246 129.816 214.808 206.032 1.00 53.07 H +ATOM 12156 HD11 LEU B 246 128.297 215.601 207.611 1.00 42.65 H +ATOM 12157 HD12 LEU B 246 129.056 214.323 208.171 1.00 42.65 H +ATOM 12158 HD13 LEU B 246 129.478 215.774 208.659 1.00 42.65 H +ATOM 12159 HD21 LEU B 246 129.407 217.102 206.012 1.00 41.44 H +ATOM 12160 HD22 LEU B 246 130.635 217.326 206.996 1.00 41.44 H +ATOM 12161 HD23 LEU B 246 130.887 216.798 205.519 1.00 41.44 H +ATOM 12162 N PHE B 247 132.162 211.973 205.656 1.00 34.91 N +ATOM 12163 CA PHE B 247 131.958 211.147 204.467 1.00 39.66 C +ATOM 12164 C PHE B 247 131.195 211.906 203.386 1.00 39.50 C +ATOM 12165 O PHE B 247 130.537 211.309 202.537 1.00 44.73 O +ATOM 12166 CB PHE B 247 131.252 209.840 204.837 1.00 33.72 C +ATOM 12167 CG PHE B 247 132.112 208.919 205.648 1.00 37.40 C +ATOM 12168 CD1 PHE B 247 133.186 208.269 205.063 1.00 35.90 C +ATOM 12169 CD2 PHE B 247 131.872 208.726 206.996 1.00 33.17 C +ATOM 12170 CE1 PHE B 247 133.997 207.433 205.803 1.00 31.45 C +ATOM 12171 CE2 PHE B 247 132.678 207.889 207.742 1.00 44.84 C +ATOM 12172 CZ PHE B 247 133.744 207.243 207.142 1.00 38.76 C +ATOM 12173 H PHE B 247 132.992 212.108 205.838 1.00 41.89 H +ATOM 12174 HA PHE B 247 132.826 210.916 204.102 1.00 47.59 H +ATOM 12175 HB2 PHE B 247 130.460 210.046 205.358 1.00 40.46 H +ATOM 12176 HB3 PHE B 247 131.002 209.375 204.023 1.00 40.46 H +ATOM 12177 HD1 PHE B 247 133.362 208.396 204.159 1.00 43.08 H +ATOM 12178 HD2 PHE B 247 131.157 209.160 207.404 1.00 39.80 H +ATOM 12179 HE1 PHE B 247 134.711 206.998 205.397 1.00 37.74 H +ATOM 12180 HE2 PHE B 247 132.506 207.761 208.647 1.00 53.81 H +ATOM 12181 HZ PHE B 247 134.287 206.677 207.642 1.00 46.51 H +ATOM 12182 N LYS B 248 131.308 213.229 203.436 1.00 40.68 N +ATOM 12183 CA LYS B 248 130.905 214.100 202.343 1.00 44.37 C +ATOM 12184 C LYS B 248 132.070 215.032 202.030 1.00 44.02 C +ATOM 12185 O LYS B 248 132.576 215.714 202.919 1.00 41.75 O +ATOM 12186 CB LYS B 248 129.652 214.905 202.703 1.00 44.15 C +ATOM 12187 CG LYS B 248 129.350 216.054 201.739 1.00 58.71 C +ATOM 12188 CD LYS B 248 128.098 216.824 202.133 1.00 72.18 C +ATOM 12189 CE LYS B 248 127.892 218.035 201.230 1.00 79.28 C +ATOM 12190 NZ LYS B 248 126.801 218.927 201.709 1.00 84.08 N +ATOM 12191 H LYS B 248 131.625 213.655 204.112 1.00 48.82 H +ATOM 12192 HA LYS B 248 130.714 213.567 201.555 1.00 53.24 H +ATOM 12193 HB2 LYS B 248 128.887 214.309 202.700 1.00 52.97 H +ATOM 12194 HB3 LYS B 248 129.769 215.285 203.587 1.00 52.97 H +ATOM 12195 HG2 LYS B 248 130.097 216.673 201.738 1.00 70.45 H +ATOM 12196 HG3 LYS B 248 129.214 215.694 200.848 1.00 70.45 H +ATOM 12197 HD2 LYS B 248 127.324 216.245 202.050 1.00 86.62 H +ATOM 12198 HD3 LYS B 248 128.187 217.137 203.047 1.00 86.62 H +ATOM 12199 HE2 LYS B 248 128.712 218.551 201.200 1.00 95.14 H +ATOM 12200 HE3 LYS B 248 127.659 217.729 200.339 1.00 95.14 H +ATOM 12201 HZ1 LYS B 248 126.711 219.620 201.158 1.00100.90 H +ATOM 12202 HZ2 LYS B 248 126.033 218.480 201.740 1.00100.90 H +ATOM 12203 HZ3 LYS B 248 126.992 219.229 202.525 1.00100.90 H +ATOM 12204 N ASP B 249 132.504 215.037 200.774 1.00 40.13 N +ATOM 12205 CA ASP B 249 133.546 215.952 200.312 1.00 53.41 C +ATOM 12206 C ASP B 249 134.871 215.779 201.064 1.00 53.77 C +ATOM 12207 O ASP B 249 135.667 216.712 201.149 1.00 48.05 O +ATOM 12208 CB ASP B 249 133.066 217.403 200.440 1.00 72.58 C +ATOM 12209 CG ASP B 249 131.836 217.689 199.597 1.00 61.00 C +ATOM 12210 OD1 ASP B 249 131.654 217.019 198.558 1.00 57.72 O +ATOM 12211 OD2 ASP B 249 131.054 218.587 199.971 1.00 55.80 O +ATOM 12212 H ASP B 249 132.208 214.513 200.160 1.00 48.15 H +ATOM 12213 HA ASP B 249 133.717 215.780 199.373 1.00 64.09 H +ATOM 12214 HB2 ASP B 249 132.843 217.582 201.367 1.00 87.10 H +ATOM 12215 HB3 ASP B 249 133.775 217.997 200.148 1.00 87.10 H +ATOM 12216 N GLY B 250 135.101 214.585 201.604 1.00 43.29 N +ATOM 12217 CA GLY B 250 136.352 214.276 202.276 1.00 42.10 C +ATOM 12218 C GLY B 250 136.523 214.949 203.625 1.00 39.94 C +ATOM 12219 O GLY B 250 137.599 214.893 204.219 1.00 31.94 O +ATOM 12220 H GLY B 250 134.540 213.933 201.593 1.00 51.94 H +ATOM 12221 HA2 GLY B 250 136.412 213.317 202.409 1.00 50.52 H +ATOM 12222 HA3 GLY B 250 137.091 214.548 201.709 1.00 50.52 H +ATOM 12223 N LYS B 251 135.459 215.571 204.121 1.00 29.05 N +ATOM 12224 CA LYS B 251 135.558 216.429 205.294 1.00 35.16 C +ATOM 12225 C LYS B 251 135.367 215.701 206.619 1.00 29.28 C +ATOM 12226 O LYS B 251 134.943 214.548 206.664 1.00 32.56 O +ATOM 12227 CB LYS B 251 134.538 217.562 205.191 1.00 36.37 C +ATOM 12228 CG LYS B 251 134.801 218.501 204.030 1.00 33.19 C +ATOM 12229 CD LYS B 251 133.893 219.711 204.083 1.00 33.19 C +ATOM 12230 CE LYS B 251 134.240 220.699 202.990 1.00 41.04 C +ATOM 12231 NZ LYS B 251 133.342 221.880 203.008 1.00 58.12 N +ATOM 12232 H LYS B 251 134.665 215.511 203.795 1.00 34.86 H +ATOM 12233 HA LYS B 251 136.441 216.831 205.307 1.00 42.19 H +ATOM 12234 HB2 LYS B 251 133.655 217.179 205.070 1.00 43.64 H +ATOM 12235 HB3 LYS B 251 134.563 218.083 206.008 1.00 43.64 H +ATOM 12236 HG2 LYS B 251 135.720 218.809 204.070 1.00 39.83 H +ATOM 12237 HG3 LYS B 251 134.638 218.034 203.196 1.00 39.83 H +ATOM 12238 HD2 LYS B 251 132.974 219.428 203.958 1.00 39.82 H +ATOM 12239 HD3 LYS B 251 133.997 220.154 204.939 1.00 39.82 H +ATOM 12240 HE2 LYS B 251 135.150 221.009 203.118 1.00 49.24 H +ATOM 12241 HE3 LYS B 251 134.152 220.264 202.127 1.00 49.24 H +ATOM 12242 HZ1 LYS B 251 133.567 222.443 202.357 1.00 69.75 H +ATOM 12243 HZ2 LYS B 251 132.498 221.622 202.888 1.00 69.75 H +ATOM 12244 HZ3 LYS B 251 133.407 222.300 203.790 1.00 69.75 H +ATOM 12245 N MET B 252 135.706 216.405 207.692 1.00 29.84 N +ATOM 12246 CA MET B 252 135.510 215.927 209.050 1.00 30.48 C +ATOM 12247 C MET B 252 134.259 216.570 209.624 1.00 35.25 C +ATOM 12248 O MET B 252 133.931 217.704 209.276 1.00 30.84 O +ATOM 12249 CB MET B 252 136.726 216.263 209.917 1.00 32.68 C +ATOM 12250 CG MET B 252 138.016 215.588 209.478 1.00 35.86 C +ATOM 12251 SD MET B 252 138.291 214.005 210.295 1.00 30.18 S +ATOM 12252 CE MET B 252 138.710 214.550 211.948 1.00 38.74 C +ATOM 12253 H MET B 252 136.062 217.187 207.655 1.00 35.81 H +ATOM 12254 HA MET B 252 135.401 214.963 209.039 1.00 36.58 H +ATOM 12255 HB2 MET B 252 136.871 217.222 209.889 1.00 39.21 H +ATOM 12256 HB3 MET B 252 136.543 215.986 210.828 1.00 39.21 H +ATOM 12257 HG2 MET B 252 137.979 215.429 208.522 1.00 43.03 H +ATOM 12258 HG3 MET B 252 138.764 216.168 209.690 1.00 43.03 H +ATOM 12259 HE1 MET B 252 138.886 213.773 212.501 1.00 46.49 H +ATOM 12260 HE2 MET B 252 139.501 215.111 211.904 1.00 46.49 H +ATOM 12261 HE3 MET B 252 137.966 215.054 212.312 1.00 46.49 H +ATOM 12262 N LYS B 253 133.557 215.853 210.498 1.00 32.38 N +ATOM 12263 CA LYS B 253 132.364 216.393 211.137 1.00 35.46 C +ATOM 12264 C LYS B 253 132.689 217.680 211.879 1.00 37.02 C +ATOM 12265 O LYS B 253 133.828 217.905 212.284 1.00 36.18 O +ATOM 12266 CB LYS B 253 131.754 215.380 212.105 1.00 27.92 C +ATOM 12267 CG LYS B 253 130.996 214.251 211.431 1.00 37.09 C +ATOM 12268 CD LYS B 253 130.189 213.471 212.445 1.00 36.69 C +ATOM 12269 CE LYS B 253 129.082 212.666 211.791 1.00 38.42 C +ATOM 12270 NZ LYS B 253 128.092 212.181 212.791 1.00 52.35 N +ATOM 12271 H LYS B 253 133.752 215.050 210.737 1.00 38.86 H +ATOM 12272 HA LYS B 253 131.704 216.596 210.457 1.00 42.56 H +ATOM 12273 HB2 LYS B 253 132.467 214.985 212.631 1.00 33.50 H +ATOM 12274 HB3 LYS B 253 131.134 215.844 212.690 1.00 33.50 H +ATOM 12275 HG2 LYS B 253 130.388 214.619 210.771 1.00 44.51 H +ATOM 12276 HG3 LYS B 253 131.627 213.646 211.009 1.00 44.51 H +ATOM 12277 HD2 LYS B 253 130.775 212.856 212.913 1.00 44.03 H +ATOM 12278 HD3 LYS B 253 129.783 214.090 213.072 1.00 44.03 H +ATOM 12279 HE2 LYS B 253 128.616 213.225 211.149 1.00 46.11 H +ATOM 12280 HE3 LYS B 253 129.467 211.895 211.346 1.00 46.11 H +ATOM 12281 HZ1 LYS B 253 127.454 211.712 212.384 1.00 62.82 H +ATOM 12282 HZ2 LYS B 253 128.495 211.661 213.390 1.00 62.82 H +ATOM 12283 HZ3 LYS B 253 127.720 212.872 213.211 1.00 62.82 H +ATOM 12284 N TYR B 254 131.681 218.526 212.048 1.00 43.33 N +ATOM 12285 CA TYR B 254 131.860 219.776 212.767 1.00 43.54 C +ATOM 12286 C TYR B 254 130.534 220.355 213.221 1.00 39.36 C +ATOM 12287 O TYR B 254 129.466 219.871 212.852 1.00 43.33 O +ATOM 12288 CB TYR B 254 132.595 220.800 211.896 1.00 41.93 C +ATOM 12289 CG TYR B 254 131.887 221.150 210.605 1.00 41.46 C +ATOM 12290 CD1 TYR B 254 130.962 222.184 210.553 1.00 42.06 C +ATOM 12291 CD2 TYR B 254 132.157 220.455 209.437 1.00 39.70 C +ATOM 12292 CE1 TYR B 254 130.322 222.509 209.373 1.00 35.42 C +ATOM 12293 CE2 TYR B 254 131.524 220.772 208.256 1.00 43.66 C +ATOM 12294 CZ TYR B 254 130.609 221.798 208.228 1.00 46.71 C +ATOM 12295 OH TYR B 254 129.980 222.109 207.048 1.00 44.46 O +ATOM 12296 H TYR B 254 130.882 218.398 211.756 1.00 51.99 H +ATOM 12297 HA TYR B 254 132.400 219.611 213.555 1.00 52.25 H +ATOM 12298 HB2 TYR B 254 132.701 221.619 212.405 1.00 50.32 H +ATOM 12299 HB3 TYR B 254 133.467 220.442 211.666 1.00 50.32 H +ATOM 12300 HD1 TYR B 254 130.768 222.665 211.325 1.00 50.47 H +ATOM 12301 HD2 TYR B 254 132.776 219.761 209.451 1.00 47.64 H +ATOM 12302 HE1 TYR B 254 129.702 223.202 209.351 1.00 42.50 H +ATOM 12303 HE2 TYR B 254 131.715 220.295 207.481 1.00 52.40 H +ATOM 12304 HH TYR B 254 130.249 221.599 206.436 1.00 53.36 H +ATOM 12305 N GLN B 255 130.630 221.397 214.036 1.00 39.86 N +ATOM 12306 CA GLN B 255 129.480 222.169 214.468 1.00 39.45 C +ATOM 12307 C GLN B 255 129.677 223.611 214.031 1.00 44.09 C +ATOM 12308 O GLN B 255 130.808 224.044 213.817 1.00 35.00 O +ATOM 12309 CB GLN B 255 129.307 222.082 215.985 1.00 37.72 C +ATOM 12310 CG GLN B 255 128.912 220.704 216.480 1.00 35.48 C +ATOM 12311 CD GLN B 255 128.694 220.662 217.978 1.00 38.91 C +ATOM 12312 OE1 GLN B 255 127.564 220.536 218.448 1.00 38.46 O +ATOM 12313 NE2 GLN B 255 129.779 220.764 218.737 1.00 38.08 N +ATOM 12314 H GLN B 255 131.373 221.683 214.360 1.00 47.83 H +ATOM 12315 HA GLN B 255 128.679 221.823 214.045 1.00 47.33 H +ATOM 12316 HB2 GLN B 255 130.147 222.320 216.409 1.00 45.27 H +ATOM 12317 HB3 GLN B 255 128.614 222.704 216.256 1.00 45.27 H +ATOM 12318 HG2 GLN B 255 128.085 220.438 216.048 1.00 42.57 H +ATOM 12319 HG3 GLN B 255 129.618 220.075 216.261 1.00 42.57 H +ATOM 12320 HE21 GLN B 255 130.553 220.848 218.372 1.00 45.70 H +ATOM 12321 HE22 GLN B 255 129.707 220.746 219.594 1.00 45.70 H +ATOM 12322 N ILE B 256 128.576 224.338 213.874 1.00 48.94 N +ATOM 12323 CA ILE B 256 128.633 225.776 213.649 1.00 35.96 C +ATOM 12324 C ILE B 256 128.081 226.476 214.879 1.00 40.55 C +ATOM 12325 O ILE B 256 126.883 226.433 215.140 1.00 43.75 O +ATOM 12326 CB ILE B 256 127.841 226.213 212.404 1.00 42.67 C +ATOM 12327 CG1 ILE B 256 128.364 225.500 211.152 1.00 41.15 C +ATOM 12328 CG2 ILE B 256 127.925 227.732 212.225 1.00 45.76 C +ATOM 12329 CD1 ILE B 256 129.814 225.805 210.812 1.00 45.83 C +ATOM 12330 H ILE B 256 127.777 224.019 213.894 1.00 58.73 H +ATOM 12331 HA ILE B 256 129.557 226.047 213.532 1.00 43.15 H +ATOM 12332 HB ILE B 256 126.911 225.969 212.530 1.00 51.20 H +ATOM 12333 HG12 ILE B 256 128.288 224.542 211.286 1.00 49.38 H +ATOM 12334 HG13 ILE B 256 127.822 225.767 210.394 1.00 49.38 H +ATOM 12335 HG21 ILE B 256 127.421 227.985 211.437 1.00 54.91 H +ATOM 12336 HG22 ILE B 256 127.552 228.162 213.010 1.00 54.91 H +ATOM 12337 HG23 ILE B 256 128.855 227.986 212.119 1.00 54.91 H +ATOM 12338 HD11 ILE B 256 130.060 225.315 210.011 1.00 54.99 H +ATOM 12339 HD12 ILE B 256 129.909 226.758 210.659 1.00 54.99 H +ATOM 12340 HD13 ILE B 256 130.376 225.531 211.553 1.00 54.99 H +ATOM 12341 N ILE B 257 128.970 227.105 215.638 1.00 39.06 N +ATOM 12342 CA ILE B 257 128.597 227.807 216.857 1.00 43.01 C +ATOM 12343 C ILE B 257 129.018 229.264 216.748 1.00 46.30 C +ATOM 12344 O ILE B 257 130.190 229.565 216.529 1.00 49.58 O +ATOM 12345 CB ILE B 257 129.237 227.156 218.093 1.00 40.15 C +ATOM 12346 CG1 ILE B 257 128.686 225.741 218.281 1.00 43.37 C +ATOM 12347 CG2 ILE B 257 128.965 227.980 219.345 1.00 39.22 C +ATOM 12348 CD1 ILE B 257 129.618 224.817 219.031 1.00 40.51 C +ATOM 12349 H ILE B 257 129.811 227.140 215.463 1.00 46.87 H +ATOM 12350 HA ILE B 257 127.633 227.775 216.962 1.00 51.61 H +ATOM 12351 HB ILE B 257 130.196 227.102 217.957 1.00 48.19 H +ATOM 12352 HG12 ILE B 257 127.856 225.793 218.780 1.00 52.04 H +ATOM 12353 HG13 ILE B 257 128.522 225.352 217.408 1.00 52.04 H +ATOM 12354 HG21 ILE B 257 129.381 227.544 220.106 1.00 47.06 H +ATOM 12355 HG22 ILE B 257 129.339 228.867 219.226 1.00 47.06 H +ATOM 12356 HG23 ILE B 257 128.007 228.040 219.481 1.00 47.06 H +ATOM 12357 HD11 ILE B 257 129.200 223.944 219.109 1.00 48.61 H +ATOM 12358 HD12 ILE B 257 130.451 224.742 218.540 1.00 48.61 H +ATOM 12359 HD13 ILE B 257 129.784 225.184 219.913 1.00 48.61 H +ATOM 12360 N ASP B 258 128.045 230.158 216.905 1.00 45.37 N +ATOM 12361 CA ASP B 258 128.254 231.591 216.726 1.00 43.15 C +ATOM 12362 C ASP B 258 128.991 231.881 215.420 1.00 40.62 C +ATOM 12363 O ASP B 258 129.938 232.663 215.382 1.00 42.99 O +ATOM 12364 CB ASP B 258 129.013 232.175 217.919 1.00 49.70 C +ATOM 12365 CG ASP B 258 128.171 232.214 219.185 1.00 54.52 C +ATOM 12366 OD1 ASP B 258 126.938 232.043 219.091 1.00 58.24 O +ATOM 12367 OD2 ASP B 258 128.741 232.428 220.274 1.00 54.85 O +ATOM 12368 H ASP B 258 127.238 229.954 217.119 1.00 54.44 H +ATOM 12369 HA ASP B 258 127.390 232.029 216.682 1.00 51.78 H +ATOM 12370 HB2 ASP B 258 129.795 231.629 218.096 1.00 59.64 H +ATOM 12371 HB3 ASP B 258 129.283 233.083 217.710 1.00 59.64 H +ATOM 12372 N GLY B 259 128.548 231.226 214.354 1.00 41.63 N +ATOM 12373 CA GLY B 259 129.022 231.524 213.016 1.00 43.46 C +ATOM 12374 C GLY B 259 130.320 230.853 212.606 1.00 48.13 C +ATOM 12375 O GLY B 259 130.745 230.996 211.461 1.00 41.58 O +ATOM 12376 H GLY B 259 127.964 230.595 214.383 1.00 49.95 H +ATOM 12377 HA2 GLY B 259 128.340 231.261 212.379 1.00 52.15 H +ATOM 12378 HA3 GLY B 259 129.147 232.483 212.937 1.00 52.15 H +ATOM 12379 N GLU B 260 130.952 230.119 213.521 1.00 43.36 N +ATOM 12380 CA GLU B 260 132.267 229.534 213.257 1.00 54.64 C +ATOM 12381 C GLU B 260 132.298 228.016 213.417 1.00 43.69 C +ATOM 12382 O GLU B 260 131.469 227.434 214.110 1.00 42.00 O +ATOM 12383 CB GLU B 260 133.314 230.162 214.176 1.00 53.46 C +ATOM 12384 CG GLU B 260 133.483 231.658 213.975 1.00 54.65 C +ATOM 12385 CD GLU B 260 134.824 232.160 214.469 1.00 59.21 C +ATOM 12386 OE1 GLU B 260 135.854 231.813 213.853 1.00 67.36 O +ATOM 12387 OE2 GLU B 260 134.851 232.896 215.476 1.00 60.50 O +ATOM 12388 H GLU B 260 130.640 229.945 214.304 1.00 52.03 H +ATOM 12389 HA GLU B 260 132.518 229.738 212.342 1.00 65.57 H +ATOM 12390 HB2 GLU B 260 133.050 230.015 215.098 1.00 64.15 H +ATOM 12391 HB3 GLU B 260 134.171 229.741 214.008 1.00 64.15 H +ATOM 12392 HG2 GLU B 260 133.416 231.860 213.029 1.00 65.57 H +ATOM 12393 HG3 GLU B 260 132.788 232.124 214.465 1.00 65.57 H +ATOM 12394 N MET B 261 133.277 227.390 212.772 1.00 46.17 N +ATOM 12395 CA MET B 261 133.403 225.937 212.772 1.00 40.46 C +ATOM 12396 C MET B 261 134.128 225.427 214.013 1.00 32.32 C +ATOM 12397 O MET B 261 135.203 225.912 214.360 1.00 35.76 O +ATOM 12398 CB MET B 261 134.140 225.470 211.514 1.00 37.97 C +ATOM 12399 CG MET B 261 134.350 223.963 211.441 1.00 35.64 C +ATOM 12400 SD MET B 261 135.262 223.447 209.977 1.00 39.04 S +ATOM 12401 CE MET B 261 134.098 223.869 208.685 1.00 41.93 C +ATOM 12402 H MET B 261 133.890 227.791 212.321 1.00 55.41 H +ATOM 12403 HA MET B 261 132.514 225.550 212.753 1.00 48.55 H +ATOM 12404 HB2 MET B 261 133.626 225.734 210.736 1.00 45.56 H +ATOM 12405 HB3 MET B 261 135.013 225.892 211.490 1.00 45.56 H +ATOM 12406 HG2 MET B 261 134.851 223.677 212.221 1.00 42.77 H +ATOM 12407 HG3 MET B 261 133.485 223.524 211.424 1.00 42.77 H +ATOM 12408 HE1 MET B 261 134.482 223.634 207.826 1.00 50.31 H +ATOM 12409 HE2 MET B 261 133.276 223.374 208.828 1.00 50.31 H +ATOM 12410 HE3 MET B 261 133.921 224.822 208.720 1.00 50.31 H +ATOM 12411 N TYR B 262 133.520 224.445 214.671 1.00 34.41 N +ATOM 12412 CA TYR B 262 134.106 223.794 215.836 1.00 34.83 C +ATOM 12413 C TYR B 262 134.032 222.280 215.673 1.00 42.00 C +ATOM 12414 O TYR B 262 133.290 221.778 214.830 1.00 35.18 O +ATOM 12415 CB TYR B 262 133.388 224.228 217.113 1.00 32.19 C +ATOM 12416 CG TYR B 262 133.744 225.622 217.569 1.00 49.43 C +ATOM 12417 CD1 TYR B 262 132.978 226.717 217.190 1.00 47.91 C +ATOM 12418 CD2 TYR B 262 134.844 225.842 218.382 1.00 52.90 C +ATOM 12419 CE1 TYR B 262 133.303 227.991 217.610 1.00 49.07 C +ATOM 12420 CE2 TYR B 262 135.176 227.110 218.805 1.00 62.50 C +ATOM 12421 CZ TYR B 262 134.405 228.181 218.418 1.00 64.60 C +ATOM 12422 OH TYR B 262 134.743 229.445 218.843 1.00 51.92 O +ATOM 12423 H TYR B 262 132.748 224.132 214.456 1.00 41.29 H +ATOM 12424 HA TYR B 262 135.039 224.048 215.909 1.00 41.79 H +ATOM 12425 HB2 TYR B 262 132.431 224.202 216.958 1.00 38.63 H +ATOM 12426 HB3 TYR B 262 133.622 223.614 217.827 1.00 38.63 H +ATOM 12427 HD1 TYR B 262 132.235 226.590 216.646 1.00 57.50 H +ATOM 12428 HD2 TYR B 262 135.368 225.121 218.646 1.00 63.48 H +ATOM 12429 HE1 TYR B 262 132.783 228.717 217.349 1.00 58.88 H +ATOM 12430 HE2 TYR B 262 135.919 227.241 219.350 1.00 75.01 H +ATOM 12431 HH TYR B 262 135.430 229.413 219.324 1.00 62.30 H +ATOM 12432 N PRO B 263 134.812 221.541 216.473 1.00 42.73 N +ATOM 12433 CA PRO B 263 134.720 220.080 216.378 1.00 53.39 C +ATOM 12434 C PRO B 263 133.364 219.559 216.842 1.00 50.75 C +ATOM 12435 O PRO B 263 132.652 220.270 217.551 1.00 37.84 O +ATOM 12436 CB PRO B 263 135.848 219.586 217.294 1.00 47.66 C +ATOM 12437 CG PRO B 263 136.256 220.756 218.116 1.00 46.11 C +ATOM 12438 CD PRO B 263 135.914 221.980 217.344 1.00 41.67 C +ATOM 12439 HA PRO B 263 134.888 219.787 215.469 1.00 64.07 H +ATOM 12440 HB2 PRO B 263 135.516 218.872 217.860 1.00 57.19 H +ATOM 12441 HB3 PRO B 263 136.591 219.275 216.754 1.00 57.19 H +ATOM 12442 HG2 PRO B 263 135.771 220.742 218.956 1.00 55.33 H +ATOM 12443 HG3 PRO B 263 137.212 220.716 218.278 1.00 55.33 H +ATOM 12444 HD2 PRO B 263 135.613 222.683 217.941 1.00 50.01 H +ATOM 12445 HD3 PRO B 263 136.672 222.267 216.812 1.00 50.01 H +ATOM 12446 N PRO B 264 133.012 218.328 216.440 1.00 42.93 N +ATOM 12447 CA PRO B 264 131.737 217.718 216.822 1.00 39.44 C +ATOM 12448 C PRO B 264 131.783 217.216 218.258 1.00 40.52 C +ATOM 12449 O PRO B 264 132.820 217.348 218.908 1.00 35.60 O +ATOM 12450 CB PRO B 264 131.599 216.564 215.832 1.00 40.07 C +ATOM 12451 CG PRO B 264 133.008 216.139 215.596 1.00 43.82 C +ATOM 12452 CD PRO B 264 133.842 217.399 215.652 1.00 37.80 C +ATOM 12453 HA PRO B 264 131.004 218.343 216.710 1.00 47.33 H +ATOM 12454 HB2 PRO B 264 131.081 215.847 216.229 1.00 48.08 H +ATOM 12455 HB3 PRO B 264 131.188 216.879 215.012 1.00 48.08 H +ATOM 12456 HG2 PRO B 264 133.281 215.520 216.291 1.00 52.58 H +ATOM 12457 HG3 PRO B 264 133.079 215.724 214.723 1.00 52.58 H +ATOM 12458 HD2 PRO B 264 134.682 217.229 216.106 1.00 45.36 H +ATOM 12459 HD3 PRO B 264 133.985 217.750 214.759 1.00 45.36 H +ATOM 12460 N THR B 265 130.686 216.643 218.740 1.00 38.68 N +ATOM 12461 CA THR B 265 130.622 216.163 220.114 1.00 42.83 C +ATOM 12462 C THR B 265 130.796 214.652 220.195 1.00 35.41 C +ATOM 12463 O THR B 265 130.745 213.950 219.186 1.00 30.86 O +ATOM 12464 CB THR B 265 129.285 216.532 220.781 1.00 45.33 C +ATOM 12465 OG1 THR B 265 128.215 215.833 220.133 1.00 40.73 O +ATOM 12466 CG2 THR B 265 129.043 218.030 220.703 1.00 45.60 C +ATOM 12467 H THR B 265 129.963 216.521 218.290 1.00 46.41 H +ATOM 12468 HA THR B 265 131.336 216.574 220.626 1.00 51.40 H +ATOM 12469 HB THR B 265 129.313 216.277 221.717 1.00 54.40 H +ATOM 12470 HG1 THR B 265 127.483 216.031 220.493 1.00 48.87 H +ATOM 12471 HG21 THR B 265 128.198 218.251 221.126 1.00 54.72 H +ATOM 12472 HG22 THR B 265 129.757 218.505 221.156 1.00 54.72 H +ATOM 12473 HG23 THR B 265 129.015 218.313 219.776 1.00 54.72 H +ATOM 12474 N VAL B 266 131.006 214.168 221.413 1.00 30.86 N +ATOM 12475 CA VAL B 266 131.036 212.741 221.691 1.00 34.08 C +ATOM 12476 C VAL B 266 129.719 212.088 221.278 1.00 33.93 C +ATOM 12477 O VAL B 266 129.718 210.991 220.722 1.00 37.70 O +ATOM 12478 CB VAL B 266 131.304 212.475 223.188 1.00 35.80 C +ATOM 12479 CG1 VAL B 266 131.150 210.992 223.526 1.00 34.49 C +ATOM 12480 CG2 VAL B 266 132.691 212.967 223.565 1.00 40.00 C +ATOM 12481 H VAL B 266 131.137 214.658 222.108 1.00 37.03 H +ATOM 12482 HA VAL B 266 131.750 212.332 221.178 1.00 40.90 H +ATOM 12483 HB VAL B 266 130.659 212.970 223.716 1.00 42.96 H +ATOM 12484 HG11 VAL B 266 131.326 210.865 224.472 1.00 41.38 H +ATOM 12485 HG12 VAL B 266 130.245 210.714 223.317 1.00 41.38 H +ATOM 12486 HG13 VAL B 266 131.784 210.481 223.000 1.00 41.38 H +ATOM 12487 HG21 VAL B 266 132.842 212.792 224.508 1.00 48.00 H +ATOM 12488 HG22 VAL B 266 133.349 212.495 223.031 1.00 48.00 H +ATOM 12489 HG23 VAL B 266 132.746 213.920 223.392 1.00 48.00 H +ATOM 12490 N LYS B 267 128.608 212.767 221.557 1.00 40.00 N +ATOM 12491 CA LYS B 267 127.278 212.255 221.232 1.00 38.55 C +ATOM 12492 C LYS B 267 127.129 211.985 219.743 1.00 34.90 C +ATOM 12493 O LYS B 267 126.725 210.897 219.339 1.00 43.05 O +ATOM 12494 CB LYS B 267 126.198 213.247 221.688 1.00 45.58 C +ATOM 12495 CG LYS B 267 124.779 212.978 221.145 1.00 46.71 C +ATOM 12496 CD LYS B 267 123.883 212.321 222.173 1.00 60.22 C +ATOM 12497 CE LYS B 267 122.963 213.337 222.830 1.00 60.98 C +ATOM 12498 NZ LYS B 267 122.177 212.730 223.935 1.00 82.23 N +ATOM 12499 H LYS B 267 128.599 213.538 221.939 1.00 48.00 H +ATOM 12500 HA LYS B 267 127.137 211.420 221.705 1.00 46.25 H +ATOM 12501 HB2 LYS B 267 126.148 213.224 222.656 1.00 54.70 H +ATOM 12502 HB3 LYS B 267 126.456 214.136 221.399 1.00 54.70 H +ATOM 12503 HG2 LYS B 267 124.373 213.820 220.886 1.00 56.05 H +ATOM 12504 HG3 LYS B 267 124.840 212.388 220.378 1.00 56.05 H +ATOM 12505 HD2 LYS B 267 123.334 211.649 221.738 1.00 72.26 H +ATOM 12506 HD3 LYS B 267 124.430 211.914 222.862 1.00 72.26 H +ATOM 12507 HE2 LYS B 267 123.496 214.059 223.197 1.00 73.17 H +ATOM 12508 HE3 LYS B 267 122.342 213.680 222.169 1.00 73.17 H +ATOM 12509 HZ1 LYS B 267 121.647 213.344 224.303 1.00 98.68 H +ATOM 12510 HZ2 LYS B 267 121.675 212.065 223.622 1.00 98.68 H +ATOM 12511 HZ3 LYS B 267 122.726 212.410 224.558 1.00 98.68 H +ATOM 12512 N ASP B 268 127.444 212.989 218.934 1.00 38.02 N +ATOM 12513 CA ASP B 268 127.229 212.911 217.496 1.00 37.82 C +ATOM 12514 C ASP B 268 128.180 211.925 216.819 1.00 40.72 C +ATOM 12515 O ASP B 268 127.801 211.254 215.859 1.00 39.32 O +ATOM 12516 CB ASP B 268 127.380 214.304 216.877 1.00 44.54 C +ATOM 12517 CG ASP B 268 127.062 214.325 215.399 1.00 53.56 C +ATOM 12518 OD1 ASP B 268 125.871 214.210 215.039 1.00 52.21 O +ATOM 12519 OD2 ASP B 268 128.001 214.475 214.595 1.00 50.85 O +ATOM 12520 H ASP B 268 127.787 213.732 219.197 1.00 45.63 H +ATOM 12521 HA ASP B 268 126.322 212.610 217.331 1.00 45.38 H +ATOM 12522 HB2 ASP B 268 126.774 214.915 217.324 1.00 53.44 H +ATOM 12523 HB3 ASP B 268 128.296 214.602 216.991 1.00 53.44 H +ATOM 12524 N THR B 269 129.408 211.830 217.325 1.00 44.46 N +ATOM 12525 CA THR B 269 130.434 210.987 216.711 1.00 43.48 C +ATOM 12526 C THR B 269 130.498 209.582 217.304 1.00 42.40 C +ATOM 12527 O THR B 269 130.835 208.630 216.603 1.00 37.18 O +ATOM 12528 CB THR B 269 131.837 211.611 216.850 1.00 40.65 C +ATOM 12529 OG1 THR B 269 132.198 211.687 218.236 1.00 31.10 O +ATOM 12530 CG2 THR B 269 131.873 212.997 216.236 1.00 43.04 C +ATOM 12531 H THR B 269 129.675 212.247 218.028 1.00 53.35 H +ATOM 12532 HA THR B 269 130.240 210.900 215.765 1.00 52.17 H +ATOM 12533 HB THR B 269 132.480 211.055 216.383 1.00 48.78 H +ATOM 12534 HG1 THR B 269 131.644 212.162 218.651 1.00 37.32 H +ATOM 12535 HG21 THR B 269 132.761 213.378 216.330 1.00 51.65 H +ATOM 12536 HG22 THR B 269 131.650 212.948 215.294 1.00 51.65 H +ATOM 12537 HG23 THR B 269 131.234 213.574 216.683 1.00 51.65 H +ATOM 12538 N GLN B 270 130.174 209.469 218.591 1.00 39.72 N +ATOM 12539 CA GLN B 270 130.361 208.239 219.372 1.00 45.12 C +ATOM 12540 C GLN B 270 131.844 207.946 219.587 1.00 47.28 C +ATOM 12541 O GLN B 270 132.211 206.838 219.967 1.00 51.07 O +ATOM 12542 CB GLN B 270 129.675 207.035 218.709 1.00 50.19 C +ATOM 12543 CG GLN B 270 128.164 207.142 218.655 1.00 51.53 C +ATOM 12544 CD GLN B 270 127.541 207.261 220.033 1.00 73.24 C +ATOM 12545 OE1 GLN B 270 126.593 208.022 220.233 1.00 88.22 O +ATOM 12546 NE2 GLN B 270 128.069 206.509 220.993 1.00 62.07 N +ATOM 12547 H GLN B 270 129.832 210.111 219.050 1.00 47.67 H +ATOM 12548 HA GLN B 270 129.957 208.364 220.245 1.00 54.15 H +ATOM 12549 HB2 GLN B 270 129.999 206.954 217.799 1.00 60.23 H +ATOM 12550 HB3 GLN B 270 129.897 206.235 219.210 1.00 60.23 H +ATOM 12551 HG2 GLN B 270 127.919 207.930 218.145 1.00 61.83 H +ATOM 12552 HG3 GLN B 270 127.805 206.346 218.231 1.00 61.83 H +ATOM 12553 HE21 GLN B 270 128.730 205.988 220.816 1.00 74.49 H +ATOM 12554 HE22 GLN B 270 127.749 206.543 221.790 1.00 74.49 H +ATOM 12555 N ALA B 271 132.687 208.949 219.356 1.00 47.22 N +ATOM 12556 CA ALA B 271 134.116 208.829 219.617 1.00 41.44 C +ATOM 12557 C ALA B 271 134.417 209.219 221.061 1.00 36.26 C +ATOM 12558 O ALA B 271 134.204 210.363 221.459 1.00 42.04 O +ATOM 12559 CB ALA B 271 134.907 209.695 218.653 1.00 40.21 C +ATOM 12560 H ALA B 271 132.453 209.717 219.046 1.00 56.66 H +ATOM 12561 HA ALA B 271 134.387 207.906 219.489 1.00 49.72 H +ATOM 12562 HB1 ALA B 271 135.853 209.598 218.846 1.00 48.25 H +ATOM 12563 HB2 ALA B 271 134.722 209.406 217.746 1.00 48.25 H +ATOM 12564 HB3 ALA B 271 134.639 210.620 218.768 1.00 48.25 H +ATOM 12565 N GLU B 272 134.907 208.263 221.841 1.00 47.16 N +ATOM 12566 CA GLU B 272 135.149 208.478 223.264 1.00 44.64 C +ATOM 12567 C GLU B 272 136.177 209.577 223.518 1.00 39.36 C +ATOM 12568 O GLU B 272 137.116 209.762 222.742 1.00 36.41 O +ATOM 12569 CB GLU B 272 135.611 207.176 223.925 1.00 63.91 C +ATOM 12570 CG GLU B 272 134.509 206.138 224.093 1.00 87.93 C +ATOM 12571 CD GLU B 272 134.966 204.918 224.868 1.00104.59 C +ATOM 12572 OE1 GLU B 272 134.100 204.125 225.293 1.00111.43 O +ATOM 12573 OE2 GLU B 272 136.190 204.751 225.052 1.00107.31 O +ATOM 12574 H GLU B 272 135.109 207.472 221.569 1.00 56.59 H +ATOM 12575 HA GLU B 272 134.318 208.747 223.685 1.00 53.57 H +ATOM 12576 HB2 GLU B 272 136.308 206.780 223.380 1.00 76.69 H +ATOM 12577 HB3 GLU B 272 135.961 207.381 224.806 1.00 76.69 H +ATOM 12578 HG2 GLU B 272 133.768 206.539 224.575 1.00105.51 H +ATOM 12579 HG3 GLU B 272 134.215 205.844 223.217 1.00105.51 H +ATOM 12580 N MET B 273 135.976 210.306 224.611 1.00 38.60 N +ATOM 12581 CA MET B 273 136.898 211.345 225.051 1.00 32.33 C +ATOM 12582 C MET B 273 137.043 211.286 226.567 1.00 34.97 C +ATOM 12583 O MET B 273 136.165 210.781 227.261 1.00 40.71 O +ATOM 12584 CB MET B 273 136.408 212.731 224.632 1.00 29.35 C +ATOM 12585 CG MET B 273 136.414 212.994 223.129 1.00 39.06 C +ATOM 12586 SD MET B 273 138.048 213.280 222.414 1.00 33.68 S +ATOM 12587 CE MET B 273 138.615 214.708 223.331 1.00 32.16 C +ATOM 12588 H MET B 273 135.293 210.215 225.126 1.00 46.32 H +ATOM 12589 HA MET B 273 137.765 211.194 224.643 1.00 38.80 H +ATOM 12590 HB2 MET B 273 135.497 212.843 224.944 1.00 35.22 H +ATOM 12591 HB3 MET B 273 136.978 213.398 225.047 1.00 35.22 H +ATOM 12592 HG2 MET B 273 136.029 212.226 222.679 1.00 46.87 H +ATOM 12593 HG3 MET B 273 135.875 213.780 222.950 1.00 46.87 H +ATOM 12594 HE1 MET B 273 139.501 214.951 223.020 1.00 38.59 H +ATOM 12595 HE2 MET B 273 137.999 215.442 223.182 1.00 38.59 H +ATOM 12596 HE3 MET B 273 138.644 214.485 224.274 1.00 38.59 H +ATOM 12597 N ILE B 274 138.157 211.802 227.074 1.00 40.59 N +ATOM 12598 CA ILE B 274 138.370 211.897 228.511 1.00 38.86 C +ATOM 12599 C ILE B 274 137.795 213.209 229.032 1.00 43.09 C +ATOM 12600 O ILE B 274 138.338 214.281 228.770 1.00 48.07 O +ATOM 12601 CB ILE B 274 139.866 211.814 228.876 1.00 34.08 C +ATOM 12602 CG1 ILE B 274 140.518 210.600 228.204 1.00 45.86 C +ATOM 12603 CG2 ILE B 274 140.048 211.756 230.385 1.00 35.62 C +ATOM 12604 CD1 ILE B 274 139.855 209.276 228.519 1.00 52.46 C +ATOM 12605 H ILE B 274 138.809 212.106 226.603 1.00 48.70 H +ATOM 12606 HA ILE B 274 137.909 211.167 228.952 1.00 46.63 H +ATOM 12607 HB ILE B 274 140.304 212.615 228.548 1.00 40.89 H +ATOM 12608 HG12 ILE B 274 140.486 210.724 227.242 1.00 55.04 H +ATOM 12609 HG13 ILE B 274 141.442 210.543 228.495 1.00 55.04 H +ATOM 12610 HG21 ILE B 274 140.995 211.704 230.587 1.00 42.74 H +ATOM 12611 HG22 ILE B 274 139.668 212.556 230.780 1.00 42.74 H +ATOM 12612 HG23 ILE B 274 139.593 210.970 230.727 1.00 42.74 H +ATOM 12613 HD11 ILE B 274 140.329 208.568 228.056 1.00 62.95 H +ATOM 12614 HD12 ILE B 274 139.889 209.126 229.477 1.00 62.95 H +ATOM 12615 HD13 ILE B 274 138.932 209.307 228.221 1.00 62.95 H +ATOM 12616 N TYR B 275 136.690 213.116 229.766 1.00 47.46 N +ATOM 12617 CA TYR B 275 136.058 214.287 230.359 1.00 45.40 C +ATOM 12618 C TYR B 275 135.595 213.989 231.781 1.00 54.73 C +ATOM 12619 O TYR B 275 135.059 212.915 232.046 1.00 63.53 O +ATOM 12620 CB TYR B 275 134.866 214.747 229.518 1.00 40.94 C +ATOM 12621 CG TYR B 275 135.236 215.547 228.289 1.00 35.31 C +ATOM 12622 CD1 TYR B 275 135.761 216.828 228.403 1.00 39.83 C +ATOM 12623 CD2 TYR B 275 135.044 215.029 227.017 1.00 32.32 C +ATOM 12624 CE1 TYR B 275 136.094 217.564 227.285 1.00 32.33 C +ATOM 12625 CE2 TYR B 275 135.374 215.761 225.895 1.00 35.52 C +ATOM 12626 CZ TYR B 275 135.897 217.026 226.036 1.00 37.67 C +ATOM 12627 OH TYR B 275 136.226 217.756 224.923 1.00 35.10 O +ATOM 12628 H TYR B 275 136.284 212.377 229.936 1.00 56.96 H +ATOM 12629 HA TYR B 275 136.701 215.013 230.396 1.00 54.48 H +ATOM 12630 HB2 TYR B 275 134.375 213.964 229.222 1.00 49.13 H +ATOM 12631 HB3 TYR B 275 134.294 215.303 230.069 1.00 49.13 H +ATOM 12632 HD1 TYR B 275 135.895 217.194 229.248 1.00 47.80 H +ATOM 12633 HD2 TYR B 275 134.690 214.174 226.919 1.00 38.78 H +ATOM 12634 HE1 TYR B 275 136.447 218.419 227.376 1.00 38.79 H +ATOM 12635 HE2 TYR B 275 135.243 215.401 225.048 1.00 42.62 H +ATOM 12636 HH TYR B 275 136.057 217.313 224.229 1.00 42.12 H +ATOM 12637 N PRO B 276 135.806 214.936 232.708 1.00 60.13 N +ATOM 12638 CA PRO B 276 135.213 214.749 234.035 1.00 70.08 C +ATOM 12639 C PRO B 276 133.688 214.852 233.978 1.00 69.37 C +ATOM 12640 O PRO B 276 133.167 215.488 233.062 1.00 65.79 O +ATOM 12641 CB PRO B 276 135.822 215.886 234.860 1.00 54.02 C +ATOM 12642 CG PRO B 276 136.287 216.890 233.868 1.00 59.55 C +ATOM 12643 CD PRO B 276 136.672 216.126 232.649 1.00 60.28 C +ATOM 12644 HA PRO B 276 135.472 213.893 234.411 1.00 84.10 H +ATOM 12645 HB2 PRO B 276 135.144 216.267 235.440 1.00 64.82 H +ATOM 12646 HB3 PRO B 276 136.568 215.548 235.380 1.00 64.82 H +ATOM 12647 HG2 PRO B 276 135.566 217.507 233.668 1.00 71.46 H +ATOM 12648 HG3 PRO B 276 137.053 217.367 234.225 1.00 71.46 H +ATOM 12649 HD2 PRO B 276 136.482 216.643 231.851 1.00 72.33 H +ATOM 12650 HD3 PRO B 276 137.606 215.867 232.693 1.00 72.33 H +ATOM 12651 N PRO B 277 132.980 214.236 234.940 1.00 67.66 N +ATOM 12652 CA PRO B 277 131.511 214.221 234.946 1.00 73.28 C +ATOM 12653 C PRO B 277 130.870 215.607 234.874 1.00 69.68 C +ATOM 12654 O PRO B 277 129.756 215.739 234.366 1.00 61.22 O +ATOM 12655 CB PRO B 277 131.173 213.552 236.283 1.00 66.18 C +ATOM 12656 CG PRO B 277 132.356 212.736 236.610 1.00 79.95 C +ATOM 12657 CD PRO B 277 133.539 213.474 236.070 1.00 58.06 C +ATOM 12658 HA PRO B 277 131.175 213.673 234.219 1.00 87.93 H +ATOM 12659 HB2 PRO B 277 131.026 214.231 236.960 1.00 79.41 H +ATOM 12660 HB3 PRO B 277 130.387 212.993 236.180 1.00 79.41 H +ATOM 12661 HG2 PRO B 277 132.427 212.640 237.573 1.00 95.94 H +ATOM 12662 HG3 PRO B 277 132.277 211.867 236.187 1.00 95.94 H +ATOM 12663 HD2 PRO B 277 133.896 214.077 236.740 1.00 69.68 H +ATOM 12664 HD3 PRO B 277 134.213 212.850 235.757 1.00 69.68 H +ATOM 12665 N GLN B 278 131.567 216.620 235.378 1.00 64.71 N +ATOM 12666 CA GLN B 278 131.019 217.971 235.455 1.00 61.21 C +ATOM 12667 C GLN B 278 130.693 218.538 234.078 1.00 58.30 C +ATOM 12668 O GLN B 278 129.674 219.206 233.899 1.00 63.46 O +ATOM 12669 CB GLN B 278 132.000 218.905 236.167 1.00 67.64 C +ATOM 12670 CG GLN B 278 132.508 218.383 237.502 1.00 73.05 C +ATOM 12671 CD GLN B 278 133.840 217.672 237.384 1.00 71.94 C +ATOM 12672 OE1 GLN B 278 133.939 216.471 237.635 1.00 73.40 O +ATOM 12673 NE2 GLN B 278 134.876 218.412 237.008 1.00 68.50 N +ATOM 12674 H GLN B 278 132.367 216.550 235.685 1.00 77.65 H +ATOM 12675 HA GLN B 278 130.199 217.949 235.971 1.00 73.46 H +ATOM 12676 HB2 GLN B 278 132.769 219.045 235.593 1.00 81.16 H +ATOM 12677 HB3 GLN B 278 131.557 219.753 236.332 1.00 81.16 H +ATOM 12678 HG2 GLN B 278 132.619 219.129 238.112 1.00 87.66 H +ATOM 12679 HG3 GLN B 278 131.863 217.754 237.862 1.00 87.66 H +ATOM 12680 HE21 GLN B 278 134.769 219.250 236.846 1.00 82.21 H +ATOM 12681 HE22 GLN B 278 135.654 218.054 236.926 1.00 82.21 H +ATOM 12682 N VAL B 279 131.566 218.274 233.112 1.00 53.97 N +ATOM 12683 CA VAL B 279 131.402 218.798 231.760 1.00 57.16 C +ATOM 12684 C VAL B 279 130.067 218.354 231.169 1.00 52.28 C +ATOM 12685 O VAL B 279 129.805 217.157 231.071 1.00 60.94 O +ATOM 12686 CB VAL B 279 132.534 218.330 230.827 1.00 57.73 C +ATOM 12687 CG1 VAL B 279 132.396 218.975 229.451 1.00 45.57 C +ATOM 12688 CG2 VAL B 279 133.896 218.653 231.430 1.00 51.72 C +ATOM 12689 H VAL B 279 132.269 217.790 233.216 1.00 64.76 H +ATOM 12690 HA VAL B 279 131.414 219.767 231.790 1.00 68.60 H +ATOM 12691 HB VAL B 279 132.475 217.369 230.715 1.00 69.27 H +ATOM 12692 HG11 VAL B 279 133.120 218.665 228.884 1.00 54.68 H +ATOM 12693 HG12 VAL B 279 131.542 218.721 229.068 1.00 54.68 H +ATOM 12694 HG13 VAL B 279 132.442 219.939 229.549 1.00 54.68 H +ATOM 12695 HG21 VAL B 279 134.589 218.348 230.823 1.00 62.06 H +ATOM 12696 HG22 VAL B 279 133.966 219.612 231.557 1.00 62.06 H +ATOM 12697 HG23 VAL B 279 133.980 218.198 232.282 1.00 62.06 H +ATOM 12698 N PRO B 280 129.212 219.310 230.770 1.00 56.51 N +ATOM 12699 CA PRO B 280 127.958 218.885 230.140 1.00 61.13 C +ATOM 12700 C PRO B 280 128.186 218.269 228.762 1.00 50.08 C +ATOM 12701 O PRO B 280 129.139 218.632 228.075 1.00 55.27 O +ATOM 12702 CB PRO B 280 127.153 220.185 230.045 1.00 73.27 C +ATOM 12703 CG PRO B 280 128.164 221.259 230.044 1.00 49.40 C +ATOM 12704 CD PRO B 280 129.294 220.775 230.899 1.00 47.64 C +ATOM 12705 HA PRO B 280 127.489 218.252 230.707 1.00 73.36 H +ATOM 12706 HB2 PRO B 280 126.642 220.194 229.220 1.00 87.92 H +ATOM 12707 HB3 PRO B 280 126.567 220.264 230.814 1.00 87.92 H +ATOM 12708 HG2 PRO B 280 128.468 221.416 229.137 1.00 59.28 H +ATOM 12709 HG3 PRO B 280 127.777 222.066 230.418 1.00 59.28 H +ATOM 12710 HD2 PRO B 280 130.141 221.098 230.555 1.00 57.16 H +ATOM 12711 HD3 PRO B 280 129.159 221.042 231.822 1.00 57.16 H +ATOM 12712 N GLU B 281 127.309 217.345 228.383 1.00 59.63 N +ATOM 12713 CA GLU B 281 127.402 216.614 227.120 1.00 57.79 C +ATOM 12714 C GLU B 281 127.732 217.490 225.913 1.00 51.41 C +ATOM 12715 O GLU B 281 128.684 217.217 225.182 1.00 56.29 O +ATOM 12716 CB GLU B 281 126.086 215.881 226.857 1.00 64.43 C +ATOM 12717 CG GLU B 281 125.877 214.645 227.711 1.00 78.77 C +ATOM 12718 CD GLU B 281 126.437 213.393 227.066 1.00 99.70 C +ATOM 12719 OE1 GLU B 281 125.633 212.527 226.661 1.00 90.35 O +ATOM 12720 OE2 GLU B 281 127.677 213.275 226.964 1.00 79.10 O +ATOM 12721 H GLU B 281 126.628 217.115 228.856 1.00 71.55 H +ATOM 12722 HA GLU B 281 128.102 215.947 227.199 1.00 69.35 H +ATOM 12723 HB2 GLU B 281 125.350 216.488 227.033 1.00 77.31 H +ATOM 12724 HB3 GLU B 281 126.065 215.603 225.927 1.00 77.31 H +ATOM 12725 HG2 GLU B 281 126.324 214.770 228.563 1.00 94.52 H +ATOM 12726 HG3 GLU B 281 124.927 214.512 227.850 1.00 94.52 H +ATOM 12727 N HIS B 282 126.942 218.539 225.710 1.00 45.87 N +ATOM 12728 CA HIS B 282 127.055 219.363 224.509 1.00 53.78 C +ATOM 12729 C HIS B 282 128.381 220.125 224.433 1.00 47.12 C +ATOM 12730 O HIS B 282 128.699 220.711 223.399 1.00 39.17 O +ATOM 12731 CB HIS B 282 125.884 220.345 224.432 1.00 51.66 C +ATOM 12732 CG HIS B 282 125.750 221.225 225.634 1.00 60.46 C +ATOM 12733 ND1 HIS B 282 126.399 222.435 225.748 1.00 49.74 N +ATOM 12734 CD2 HIS B 282 125.043 221.068 226.778 1.00 64.92 C +ATOM 12735 CE1 HIS B 282 126.096 222.986 226.910 1.00 49.88 C +ATOM 12736 NE2 HIS B 282 125.275 222.177 227.554 1.00 75.94 N +ATOM 12737 H HIS B 282 126.328 218.797 226.255 1.00 55.04 H +ATOM 12738 HA HIS B 282 127.005 218.784 223.732 1.00 64.54 H +ATOM 12739 HB2 HIS B 282 126.007 220.918 223.658 1.00 61.99 H +ATOM 12740 HB3 HIS B 282 125.060 219.842 224.340 1.00 61.99 H +ATOM 12741 HD2 HIS B 282 124.501 220.344 226.997 1.00 77.90 H +ATOM 12742 HE1 HIS B 282 126.408 223.805 227.221 1.00 59.86 H +ATOM 12743 HE2 HIS B 282 124.940 222.321 228.333 1.00 91.12 H +ATOM 12744 N LEU B 283 129.148 220.115 225.519 1.00 44.84 N +ATOM 12745 CA LEU B 283 130.469 220.742 225.533 1.00 50.75 C +ATOM 12746 C LEU B 283 131.593 219.718 225.384 1.00 50.88 C +ATOM 12747 O LEU B 283 132.767 220.084 225.346 1.00 48.51 O +ATOM 12748 CB LEU B 283 130.668 221.545 226.821 1.00 44.19 C +ATOM 12749 CG LEU B 283 129.891 222.864 226.933 1.00 54.72 C +ATOM 12750 CD1 LEU B 283 130.200 223.555 228.255 1.00 48.66 C +ATOM 12751 CD2 LEU B 283 130.202 223.796 225.770 1.00 48.75 C +ATOM 12752 H LEU B 283 128.926 219.751 226.266 1.00 53.80 H +ATOM 12753 HA LEU B 283 130.530 221.359 224.786 1.00 60.90 H +ATOM 12754 HB2 LEU B 283 130.399 220.989 227.569 1.00 53.03 H +ATOM 12755 HB3 LEU B 283 131.610 221.758 226.903 1.00 53.03 H +ATOM 12756 HG LEU B 283 128.941 222.670 226.914 1.00 65.67 H +ATOM 12757 HD11 LEU B 283 129.699 224.384 228.301 1.00 58.39 H +ATOM 12758 HD12 LEU B 283 129.942 222.970 228.984 1.00 58.39 H +ATOM 12759 HD13 LEU B 283 131.151 223.740 228.299 1.00 58.39 H +ATOM 12760 HD21 LEU B 283 129.694 224.615 225.878 1.00 58.50 H +ATOM 12761 HD22 LEU B 283 131.152 223.994 225.769 1.00 58.50 H +ATOM 12762 HD23 LEU B 283 129.954 223.359 224.940 1.00 58.50 H +ATOM 12763 N ARG B 284 131.237 218.441 225.293 1.00 47.42 N +ATOM 12764 CA ARG B 284 132.238 217.389 225.156 1.00 41.64 C +ATOM 12765 C ARG B 284 132.669 217.234 223.699 1.00 37.66 C +ATOM 12766 O ARG B 284 132.207 216.344 222.989 1.00 31.98 O +ATOM 12767 CB ARG B 284 131.700 216.067 225.707 1.00 40.13 C +ATOM 12768 CG ARG B 284 131.468 216.117 227.208 1.00 53.65 C +ATOM 12769 CD ARG B 284 131.040 214.787 227.786 1.00 45.90 C +ATOM 12770 NE ARG B 284 130.806 214.895 229.224 1.00 55.06 N +ATOM 12771 CZ ARG B 284 130.714 213.861 230.054 1.00 73.41 C +ATOM 12772 NH1 ARG B 284 130.842 212.621 229.603 1.00 80.84 N +ATOM 12773 NH2 ARG B 284 130.500 214.071 231.346 1.00 68.98 N +ATOM 12774 H ARG B 284 130.426 218.158 225.308 1.00 56.91 H +ATOM 12775 HA ARG B 284 133.021 217.631 225.674 1.00 49.97 H +ATOM 12776 HB2 ARG B 284 130.854 215.865 225.278 1.00 48.16 H +ATOM 12777 HB3 ARG B 284 132.342 215.363 225.525 1.00 48.16 H +ATOM 12778 HG2 ARG B 284 132.291 216.383 227.646 1.00 64.38 H +ATOM 12779 HG3 ARG B 284 130.769 216.763 227.397 1.00 64.38 H +ATOM 12780 HD2 ARG B 284 130.216 214.501 227.362 1.00 55.08 H +ATOM 12781 HD3 ARG B 284 131.740 214.132 227.638 1.00 55.08 H +ATOM 12782 HE ARG B 284 130.722 215.683 229.556 1.00 66.07 H +ATOM 12783 HH11 ARG B 284 130.982 212.481 228.766 1.00 97.01 H +ATOM 12784 HH12 ARG B 284 130.783 211.957 230.146 1.00 97.01 H +ATOM 12785 HH21 ARG B 284 130.417 214.873 231.643 1.00 82.78 H +ATOM 12786 HH22 ARG B 284 130.441 213.404 231.885 1.00 82.78 H +ATOM 12787 N PHE B 285 133.554 218.124 223.266 1.00 41.15 N +ATOM 12788 CA PHE B 285 134.084 218.095 221.910 1.00 39.41 C +ATOM 12789 C PHE B 285 134.894 216.827 221.660 1.00 37.41 C +ATOM 12790 O PHE B 285 135.632 216.366 222.530 1.00 32.39 O +ATOM 12791 CB PHE B 285 134.956 219.329 221.655 1.00 43.93 C +ATOM 12792 CG PHE B 285 134.180 220.614 221.527 1.00 51.34 C +ATOM 12793 CD1 PHE B 285 133.065 220.693 220.712 1.00 49.70 C +ATOM 12794 CD2 PHE B 285 134.575 221.745 222.221 1.00 50.72 C +ATOM 12795 CE1 PHE B 285 132.358 221.873 220.593 1.00 49.50 C +ATOM 12796 CE2 PHE B 285 133.869 222.927 222.106 1.00 59.17 C +ATOM 12797 CZ PHE B 285 132.760 222.991 221.291 1.00 50.70 C +ATOM 12798 H PHE B 285 133.868 218.765 223.747 1.00 49.38 H +ATOM 12799 HA PHE B 285 133.347 218.111 221.280 1.00 47.29 H +ATOM 12800 HB2 PHE B 285 135.577 219.430 222.393 1.00 52.72 H +ATOM 12801 HB3 PHE B 285 135.448 219.197 220.829 1.00 52.72 H +ATOM 12802 HD1 PHE B 285 132.788 219.942 220.238 1.00 59.64 H +ATOM 12803 HD2 PHE B 285 135.323 221.708 222.773 1.00 60.86 H +ATOM 12804 HE1 PHE B 285 131.609 221.914 220.043 1.00 59.41 H +ATOM 12805 HE2 PHE B 285 134.143 223.680 222.578 1.00 71.00 H +ATOM 12806 HZ PHE B 285 132.284 223.786 221.213 1.00 60.84 H +ATOM 12807 N ALA B 286 134.750 216.276 220.459 1.00 41.10 N +ATOM 12808 CA ALA B 286 135.446 215.055 220.072 1.00 41.90 C +ATOM 12809 C ALA B 286 136.460 215.332 218.968 1.00 35.02 C +ATOM 12810 O ALA B 286 136.118 215.873 217.917 1.00 32.21 O +ATOM 12811 CB ALA B 286 134.453 214.004 219.624 1.00 37.97 C +ATOM 12812 H ALA B 286 134.246 216.597 219.840 1.00 49.32 H +ATOM 12813 HA ALA B 286 135.926 214.707 220.840 1.00 50.28 H +ATOM 12814 HB1 ALA B 286 134.936 213.202 219.371 1.00 45.56 H +ATOM 12815 HB2 ALA B 286 133.848 213.810 220.356 1.00 45.56 H +ATOM 12816 HB3 ALA B 286 133.956 214.345 218.864 1.00 45.56 H +ATOM 12817 N VAL B 287 137.712 214.969 219.226 1.00 34.29 N +ATOM 12818 CA VAL B 287 138.783 215.117 218.250 1.00 33.57 C +ATOM 12819 C VAL B 287 139.655 213.864 218.246 1.00 35.33 C +ATOM 12820 O VAL B 287 139.393 212.920 218.992 1.00 31.53 O +ATOM 12821 CB VAL B 287 139.645 216.364 218.540 1.00 37.92 C +ATOM 12822 CG1 VAL B 287 138.809 217.633 218.385 1.00 38.79 C +ATOM 12823 CG2 VAL B 287 140.254 216.291 219.933 1.00 33.70 C +ATOM 12824 H VAL B 287 137.970 214.628 219.972 1.00 41.15 H +ATOM 12825 HA VAL B 287 138.395 215.218 217.366 1.00 40.28 H +ATOM 12826 HB VAL B 287 140.370 216.403 217.897 1.00 45.50 H +ATOM 12827 HG11 VAL B 287 139.368 218.404 218.572 1.00 46.55 H +ATOM 12828 HG12 VAL B 287 138.472 217.680 217.477 1.00 46.55 H +ATOM 12829 HG13 VAL B 287 138.069 217.601 219.012 1.00 46.55 H +ATOM 12830 HG21 VAL B 287 140.789 217.086 220.085 1.00 40.44 H +ATOM 12831 HG22 VAL B 287 139.540 216.241 220.587 1.00 40.44 H +ATOM 12832 HG23 VAL B 287 140.813 215.500 219.991 1.00 40.44 H +ATOM 12833 N GLY B 288 140.680 213.860 217.399 1.00 36.13 N +ATOM 12834 CA GLY B 288 141.546 212.705 217.235 1.00 38.01 C +ATOM 12835 C GLY B 288 142.109 212.173 218.541 1.00 29.42 C +ATOM 12836 O GLY B 288 141.959 210.993 218.850 1.00 28.82 O +ATOM 12837 H GLY B 288 140.895 214.527 216.900 1.00 43.36 H +ATOM 12838 HA2 GLY B 288 141.048 211.991 216.807 1.00 45.62 H +ATOM 12839 HA3 GLY B 288 142.290 212.944 216.660 1.00 45.62 H +ATOM 12840 N GLN B 289 142.742 213.050 219.310 1.00 27.59 N +ATOM 12841 CA GLN B 289 143.340 212.674 220.586 1.00 36.15 C +ATOM 12842 C GLN B 289 142.313 212.719 221.713 1.00 42.81 C +ATOM 12843 O GLN B 289 141.631 213.725 221.907 1.00 40.35 O +ATOM 12844 CB GLN B 289 144.517 213.596 220.911 1.00 34.34 C +ATOM 12845 CG GLN B 289 145.837 212.872 221.108 1.00 34.34 C +ATOM 12846 CD GLN B 289 145.953 212.221 222.468 1.00 34.60 C +ATOM 12847 OE1 GLN B 289 144.967 211.742 223.027 1.00 31.62 O +ATOM 12848 NE2 GLN B 289 147.165 212.205 223.013 1.00 42.10 N +ATOM 12849 H GLN B 289 142.841 213.882 219.113 1.00 33.11 H +ATOM 12850 HA GLN B 289 143.677 211.767 220.522 1.00 43.38 H +ATOM 12851 HB2 GLN B 289 144.631 214.225 220.181 1.00 41.21 H +ATOM 12852 HB3 GLN B 289 144.319 214.076 221.730 1.00 41.21 H +ATOM 12853 HG2 GLN B 289 145.921 212.179 220.435 1.00 41.21 H +ATOM 12854 HG3 GLN B 289 146.563 213.510 221.018 1.00 41.21 H +ATOM 12855 HE21 GLN B 289 147.830 212.553 222.593 1.00 50.52 H +ATOM 12856 HE22 GLN B 289 147.284 211.846 223.785 1.00 50.52 H +ATOM 12857 N GLU B 290 142.228 211.623 222.459 1.00 45.69 N +ATOM 12858 CA GLU B 290 141.233 211.466 223.516 1.00 39.85 C +ATOM 12859 C GLU B 290 141.419 212.436 224.685 1.00 45.40 C +ATOM 12860 O GLU B 290 140.476 212.686 225.437 1.00 44.36 O +ATOM 12861 CB GLU B 290 141.263 210.031 224.053 1.00 39.99 C +ATOM 12862 CG GLU B 290 140.776 208.973 223.072 1.00 67.90 C +ATOM 12863 CD GLU B 290 141.853 208.500 222.102 1.00 85.92 C +ATOM 12864 OE1 GLU B 290 142.865 209.213 221.915 1.00 58.33 O +ATOM 12865 OE2 GLU B 290 141.684 207.404 221.525 1.00 72.51 O +ATOM 12866 H GLU B 290 142.746 210.942 222.370 1.00 54.82 H +ATOM 12867 HA GLU B 290 140.353 211.622 223.139 1.00 47.82 H +ATOM 12868 HB2 GLU B 290 142.177 209.809 224.293 1.00 47.99 H +ATOM 12869 HB3 GLU B 290 140.699 209.983 224.840 1.00 47.99 H +ATOM 12870 HG2 GLU B 290 140.465 208.201 223.571 1.00 81.48 H +ATOM 12871 HG3 GLU B 290 140.047 209.342 222.549 1.00 81.48 H +ATOM 12872 N VAL B 291 142.625 212.977 224.838 1.00 39.71 N +ATOM 12873 CA VAL B 291 142.958 213.779 226.015 1.00 43.93 C +ATOM 12874 C VAL B 291 142.888 215.285 225.776 1.00 38.93 C +ATOM 12875 O VAL B 291 143.092 216.071 226.699 1.00 34.23 O +ATOM 12876 CB VAL B 291 144.379 213.447 226.535 1.00 43.26 C +ATOM 12877 CG1 VAL B 291 144.529 211.948 226.745 1.00 42.98 C +ATOM 12878 CG2 VAL B 291 145.452 213.961 225.573 1.00 40.23 C +ATOM 12879 H VAL B 291 143.269 212.896 224.274 1.00 47.65 H +ATOM 12880 HA VAL B 291 142.329 213.565 226.722 1.00 52.71 H +ATOM 12881 HB VAL B 291 144.511 213.883 227.391 1.00 51.91 H +ATOM 12882 HG11 VAL B 291 145.425 211.763 227.070 1.00 51.58 H +ATOM 12883 HG12 VAL B 291 143.874 211.653 227.397 1.00 51.58 H +ATOM 12884 HG13 VAL B 291 144.384 211.494 225.900 1.00 51.58 H +ATOM 12885 HG21 VAL B 291 146.326 213.737 225.928 1.00 48.28 H +ATOM 12886 HG22 VAL B 291 145.327 213.541 224.708 1.00 48.28 H +ATOM 12887 HG23 VAL B 291 145.365 214.924 225.490 1.00 48.28 H +ATOM 12888 N PHE B 292 142.605 215.692 224.544 1.00 33.64 N +ATOM 12889 CA PHE B 292 142.738 217.096 224.165 1.00 41.15 C +ATOM 12890 C PHE B 292 141.624 217.979 224.724 1.00 46.91 C +ATOM 12891 O PHE B 292 141.620 219.187 224.503 1.00 40.80 O +ATOM 12892 CB PHE B 292 142.797 217.229 222.640 1.00 31.21 C +ATOM 12893 CG PHE B 292 144.164 216.974 222.050 1.00 33.60 C +ATOM 12894 CD1 PHE B 292 145.228 216.567 222.840 1.00 35.41 C +ATOM 12895 CD2 PHE B 292 144.383 217.156 220.697 1.00 31.46 C +ATOM 12896 CE1 PHE B 292 146.473 216.346 222.292 1.00 35.81 C +ATOM 12897 CE2 PHE B 292 145.626 216.933 220.145 1.00 31.58 C +ATOM 12898 CZ PHE B 292 146.673 216.528 220.943 1.00 32.61 C +ATOM 12899 H PHE B 292 142.334 215.178 223.910 1.00 40.37 H +ATOM 12900 HA PHE B 292 143.578 217.430 224.519 1.00 49.38 H +ATOM 12901 HB2 PHE B 292 142.182 216.590 222.248 1.00 37.46 H +ATOM 12902 HB3 PHE B 292 142.533 218.130 222.396 1.00 37.46 H +ATOM 12903 HD1 PHE B 292 145.101 216.443 223.753 1.00 42.49 H +ATOM 12904 HD2 PHE B 292 143.681 217.430 220.151 1.00 37.75 H +ATOM 12905 HE1 PHE B 292 147.178 216.071 222.833 1.00 42.97 H +ATOM 12906 HE2 PHE B 292 145.759 217.058 219.233 1.00 37.90 H +ATOM 12907 HZ PHE B 292 147.511 216.377 220.571 1.00 39.13 H +ATOM 12908 N GLY B 293 140.696 217.381 225.463 1.00 55.91 N +ATOM 12909 CA GLY B 293 139.710 218.145 226.199 1.00 48.77 C +ATOM 12910 C GLY B 293 140.289 218.672 227.502 1.00 54.19 C +ATOM 12911 O GLY B 293 139.647 219.455 228.202 1.00 56.69 O +ATOM 12912 H GLY B 293 140.619 216.529 225.552 1.00 67.09 H +ATOM 12913 HA2 GLY B 293 139.412 218.898 225.664 1.00 58.52 H +ATOM 12914 HA3 GLY B 293 138.945 217.585 226.402 1.00 58.52 H +ATOM 12915 N LEU B 294 141.506 218.238 227.822 1.00 60.96 N +ATOM 12916 CA LEU B 294 142.194 218.624 229.054 1.00 63.28 C +ATOM 12917 C LEU B 294 142.266 220.135 229.237 1.00 58.97 C +ATOM 12918 O LEU B 294 141.866 220.652 230.280 1.00 64.27 O +ATOM 12919 CB LEU B 294 143.608 218.035 229.067 1.00 79.39 C +ATOM 12920 CG LEU B 294 144.498 218.353 230.273 1.00 82.63 C +ATOM 12921 CD1 LEU B 294 143.870 217.856 231.566 1.00 67.98 C +ATOM 12922 CD2 LEU B 294 145.887 217.750 230.084 1.00 59.90 C +ATOM 12923 H LEU B 294 141.966 217.705 227.327 1.00 73.15 H +ATOM 12924 HA LEU B 294 141.711 218.255 229.810 1.00 75.94 H +ATOM 12925 HB2 LEU B 294 143.531 217.069 229.020 1.00 95.26 H +ATOM 12926 HB3 LEU B 294 144.073 218.355 228.279 1.00 95.26 H +ATOM 12927 HG LEU B 294 144.599 219.316 230.342 1.00 99.16 H +ATOM 12928 HD11 LEU B 294 144.458 218.073 232.307 1.00 81.58 H +ATOM 12929 HD12 LEU B 294 143.011 218.290 231.687 1.00 81.58 H +ATOM 12930 HD13 LEU B 294 143.751 216.895 231.510 1.00 81.58 H +ATOM 12931 HD21 LEU B 294 146.431 217.964 230.858 1.00 71.88 H +ATOM 12932 HD22 LEU B 294 145.803 216.788 229.994 1.00 71.88 H +ATOM 12933 HD23 LEU B 294 146.287 218.124 229.284 1.00 71.88 H +ATOM 12934 N VAL B 295 142.771 220.839 228.229 1.00 52.33 N +ATOM 12935 CA VAL B 295 142.876 222.293 228.295 1.00 56.92 C +ATOM 12936 C VAL B 295 142.345 222.953 227.022 1.00 50.56 C +ATOM 12937 O VAL B 295 142.462 222.393 225.935 1.00 47.52 O +ATOM 12938 CB VAL B 295 144.328 222.748 228.523 1.00 53.99 C +ATOM 12939 CG1 VAL B 295 144.722 222.540 229.966 1.00 66.77 C +ATOM 12940 CG2 VAL B 295 145.275 222.019 227.590 1.00 54.16 C +ATOM 12941 H VAL B 295 143.061 220.498 227.494 1.00 62.80 H +ATOM 12942 HA VAL B 295 142.343 222.611 229.040 1.00 68.30 H +ATOM 12943 HB VAL B 295 144.392 223.697 228.331 1.00 64.79 H +ATOM 12944 HG11 VAL B 295 145.639 222.833 230.087 1.00 80.13 H +ATOM 12945 HG12 VAL B 295 144.131 223.059 230.533 1.00 80.13 H +ATOM 12946 HG13 VAL B 295 144.645 221.597 230.181 1.00 80.13 H +ATOM 12947 HG21 VAL B 295 146.180 222.327 227.757 1.00 64.99 H +ATOM 12948 HG22 VAL B 295 145.213 221.066 227.759 1.00 64.99 H +ATOM 12949 HG23 VAL B 295 145.024 222.211 226.673 1.00 64.99 H +ATOM 12950 N PRO B 296 141.755 224.155 227.153 1.00 50.42 N +ATOM 12951 CA PRO B 296 141.223 224.886 225.995 1.00 48.37 C +ATOM 12952 C PRO B 296 142.289 225.232 224.962 1.00 42.22 C +ATOM 12953 O PRO B 296 141.968 225.411 223.787 1.00 32.93 O +ATOM 12954 CB PRO B 296 140.645 226.162 226.622 1.00 67.43 C +ATOM 12955 CG PRO B 296 140.408 225.819 228.037 1.00 62.86 C +ATOM 12956 CD PRO B 296 141.481 224.868 228.413 1.00 61.36 C +ATOM 12957 HA PRO B 296 140.511 224.382 225.572 1.00 58.04 H +ATOM 12958 HB2 PRO B 296 141.289 226.884 226.547 1.00 80.91 H +ATOM 12959 HB3 PRO B 296 139.814 226.396 226.181 1.00 80.91 H +ATOM 12960 HG2 PRO B 296 140.460 226.622 228.578 1.00 75.43 H +ATOM 12961 HG3 PRO B 296 139.536 225.403 228.127 1.00 75.43 H +ATOM 12962 HD2 PRO B 296 142.270 225.347 228.709 1.00 73.63 H +ATOM 12963 HD3 PRO B 296 141.163 224.250 229.089 1.00 73.63 H +ATOM 12964 N GLY B 297 143.539 225.332 225.404 1.00 45.54 N +ATOM 12965 CA GLY B 297 144.643 225.628 224.510 1.00 36.80 C +ATOM 12966 C GLY B 297 144.850 224.517 223.502 1.00 31.17 C +ATOM 12967 O GLY B 297 145.192 224.766 222.346 1.00 33.84 O +ATOM 12968 H GLY B 297 143.772 225.230 226.225 1.00 54.64 H +ATOM 12969 HA2 GLY B 297 144.464 226.452 224.032 1.00 44.16 H +ATOM 12970 HA3 GLY B 297 145.459 225.737 225.024 1.00 44.16 H +ATOM 12971 N LEU B 298 144.648 223.281 223.941 1.00 29.07 N +ATOM 12972 CA LEU B 298 144.733 222.137 223.047 1.00 33.97 C +ATOM 12973 C LEU B 298 143.531 222.108 222.117 1.00 38.42 C +ATOM 12974 O LEU B 298 143.663 221.857 220.918 1.00 31.62 O +ATOM 12975 CB LEU B 298 144.816 220.833 223.841 1.00 29.87 C +ATOM 12976 CG LEU B 298 146.133 220.573 224.572 1.00 40.80 C +ATOM 12977 CD1 LEU B 298 146.002 219.346 225.461 1.00 46.27 C +ATOM 12978 CD2 LEU B 298 147.279 220.403 223.586 1.00 34.14 C +ATOM 12979 H LEU B 298 144.458 223.079 224.756 1.00 34.89 H +ATOM 12980 HA LEU B 298 145.534 222.214 222.505 1.00 40.77 H +ATOM 12981 HB2 LEU B 298 144.111 220.837 224.507 1.00 35.85 H +ATOM 12982 HB3 LEU B 298 144.675 220.094 223.228 1.00 35.85 H +ATOM 12983 HG LEU B 298 146.335 221.334 225.139 1.00 48.96 H +ATOM 12984 HD11 LEU B 298 146.844 219.195 225.917 1.00 55.52 H +ATOM 12985 HD12 LEU B 298 145.297 219.501 226.109 1.00 55.52 H +ATOM 12986 HD13 LEU B 298 145.782 218.579 224.909 1.00 55.52 H +ATOM 12987 HD21 LEU B 298 148.098 220.240 224.079 1.00 40.97 H +ATOM 12988 HD22 LEU B 298 147.086 219.650 223.006 1.00 40.97 H +ATOM 12989 HD23 LEU B 298 147.365 221.213 223.060 1.00 40.97 H +ATOM 12990 N MET B 299 142.357 222.369 222.677 1.00 36.04 N +ATOM 12991 CA MET B 299 141.130 222.352 221.898 1.00 29.58 C +ATOM 12992 C MET B 299 141.143 223.478 220.866 1.00 27.87 C +ATOM 12993 O MET B 299 140.498 223.377 219.824 1.00 29.13 O +ATOM 12994 CB MET B 299 139.915 222.465 222.819 1.00 36.24 C +ATOM 12995 CG MET B 299 138.582 222.155 222.149 1.00 66.10 C +ATOM 12996 SD MET B 299 138.510 220.532 221.362 1.00 38.57 S +ATOM 12997 CE MET B 299 138.835 219.457 222.751 1.00 40.07 C +ATOM 12998 H MET B 299 142.244 222.560 223.508 1.00 43.25 H +ATOM 12999 HA MET B 299 141.069 221.503 221.432 1.00 35.50 H +ATOM 13000 HB2 MET B 299 140.025 221.844 223.556 1.00 43.49 H +ATOM 13001 HB3 MET B 299 139.868 223.372 223.160 1.00 43.49 H +ATOM 13002 HG2 MET B 299 137.881 222.190 222.818 1.00 79.33 H +ATOM 13003 HG3 MET B 299 138.415 222.822 221.465 1.00 79.33 H +ATOM 13004 HE1 MET B 299 139.707 219.672 223.118 1.00 48.08 H +ATOM 13005 HE2 MET B 299 138.150 219.594 223.423 1.00 48.08 H +ATOM 13006 HE3 MET B 299 138.822 218.536 222.447 1.00 48.08 H +ATOM 13007 N MET B 300 141.891 224.541 221.150 1.00 28.55 N +ATOM 13008 CA MET B 300 142.058 225.629 220.194 1.00 30.16 C +ATOM 13009 C MET B 300 142.767 225.134 218.940 1.00 36.10 C +ATOM 13010 O MET B 300 142.279 225.323 217.829 1.00 36.10 O +ATOM 13011 CB MET B 300 142.849 226.785 220.814 1.00 29.99 C +ATOM 13012 CG MET B 300 143.059 227.975 219.875 1.00 27.63 C +ATOM 13013 SD MET B 300 144.362 229.099 220.417 1.00 40.12 S +ATOM 13014 CE MET B 300 145.812 228.069 220.193 1.00 44.15 C +ATOM 13015 H MET B 300 142.312 224.655 221.891 1.00 34.26 H +ATOM 13016 HA MET B 300 141.183 225.967 219.947 1.00 36.19 H +ATOM 13017 HB2 MET B 300 142.372 227.105 221.595 1.00 35.99 H +ATOM 13018 HB3 MET B 300 143.724 226.458 221.076 1.00 35.99 H +ATOM 13019 HG2 MET B 300 143.300 227.642 218.996 1.00 33.15 H +ATOM 13020 HG3 MET B 300 142.233 228.480 219.821 1.00 33.15 H +ATOM 13021 HE1 MET B 300 145.724 227.277 220.746 1.00 52.99 H +ATOM 13022 HE2 MET B 300 145.878 227.816 219.259 1.00 52.99 H +ATOM 13023 HE3 MET B 300 146.599 228.571 220.456 1.00 52.99 H +ATOM 13024 N TYR B 301 143.925 224.506 219.118 1.00 30.89 N +ATOM 13025 CA TYR B 301 144.694 224.013 217.982 1.00 28.50 C +ATOM 13026 C TYR B 301 143.954 222.896 217.258 1.00 25.74 C +ATOM 13027 O TYR B 301 144.020 222.793 216.034 1.00 25.98 O +ATOM 13028 CB TYR B 301 146.074 223.528 218.429 1.00 31.08 C +ATOM 13029 CG TYR B 301 147.111 224.623 218.452 1.00 20.27 C +ATOM 13030 CD1 TYR B 301 147.555 225.202 217.273 1.00 24.13 C +ATOM 13031 CD2 TYR B 301 147.644 225.080 219.647 1.00 25.71 C +ATOM 13032 CE1 TYR B 301 148.497 226.205 217.282 1.00 24.49 C +ATOM 13033 CE2 TYR B 301 148.590 226.084 219.666 1.00 24.88 C +ATOM 13034 CZ TYR B 301 149.013 226.642 218.480 1.00 24.53 C +ATOM 13035 OH TYR B 301 149.956 227.640 218.492 1.00 29.77 O +ATOM 13036 H TYR B 301 144.286 224.352 219.883 1.00 37.07 H +ATOM 13037 HA TYR B 301 144.824 224.740 217.353 1.00 34.20 H +ATOM 13038 HB2 TYR B 301 146.004 223.164 219.325 1.00 37.30 H +ATOM 13039 HB3 TYR B 301 146.380 222.841 217.816 1.00 37.30 H +ATOM 13040 HD1 TYR B 301 147.207 224.910 216.461 1.00 28.96 H +ATOM 13041 HD2 TYR B 301 147.359 224.705 220.449 1.00 30.85 H +ATOM 13042 HE1 TYR B 301 148.785 226.583 216.483 1.00 29.39 H +ATOM 13043 HE2 TYR B 301 148.940 226.381 220.474 1.00 29.85 H +ATOM 13044 HH TYR B 301 150.184 227.810 219.282 1.00 35.72 H +ATOM 13045 N ALA B 302 143.252 222.064 218.016 1.00 25.23 N +ATOM 13046 CA ALA B 302 142.431 221.016 217.429 1.00 27.42 C +ATOM 13047 C ALA B 302 141.369 221.646 216.536 1.00 32.42 C +ATOM 13048 O ALA B 302 141.116 221.172 215.428 1.00 26.31 O +ATOM 13049 CB ALA B 302 141.789 220.169 218.508 1.00 30.06 C +ATOM 13050 H ALA B 302 143.235 222.085 218.876 1.00 30.28 H +ATOM 13051 HA ALA B 302 142.988 220.441 216.881 1.00 32.90 H +ATOM 13052 HB1 ALA B 302 141.249 219.481 218.088 1.00 36.07 H +ATOM 13053 HB2 ALA B 302 142.486 219.761 219.045 1.00 36.07 H +ATOM 13054 HB3 ALA B 302 141.231 220.736 219.063 1.00 36.07 H +ATOM 13055 N THR B 303 140.762 222.723 217.025 1.00 30.94 N +ATOM 13056 CA THR B 303 139.784 223.475 216.251 1.00 27.86 C +ATOM 13057 C THR B 303 140.424 224.046 214.989 1.00 30.07 C +ATOM 13058 O THR B 303 139.890 223.892 213.892 1.00 27.40 O +ATOM 13059 CB THR B 303 139.168 224.621 217.082 1.00 33.70 C +ATOM 13060 OG1 THR B 303 138.433 224.072 218.182 1.00 31.53 O +ATOM 13061 CG2 THR B 303 138.231 225.477 216.237 1.00 38.31 C +ATOM 13062 H THR B 303 140.902 223.041 217.812 1.00 37.12 H +ATOM 13063 HA THR B 303 139.068 222.880 215.982 1.00 33.43 H +ATOM 13064 HB THR B 303 139.877 225.189 217.422 1.00 40.44 H +ATOM 13065 HG1 THR B 303 138.944 223.619 218.672 1.00 37.83 H +ATOM 13066 HG21 THR B 303 137.855 226.189 216.778 1.00 45.97 H +ATOM 13067 HG22 THR B 303 138.718 225.868 215.495 1.00 45.97 H +ATOM 13068 HG23 THR B 303 137.509 224.932 215.888 1.00 45.97 H +ATOM 13069 N ILE B 304 141.573 224.694 215.151 1.00 29.00 N +ATOM 13070 CA ILE B 304 142.267 225.317 214.029 1.00 27.68 C +ATOM 13071 C ILE B 304 142.617 224.294 212.954 1.00 31.75 C +ATOM 13072 O ILE B 304 142.379 224.527 211.768 1.00 28.96 O +ATOM 13073 CB ILE B 304 143.555 226.036 214.492 1.00 32.03 C +ATOM 13074 CG1 ILE B 304 143.194 227.267 215.326 1.00 30.30 C +ATOM 13075 CG2 ILE B 304 144.414 226.452 213.287 1.00 41.54 C +ATOM 13076 CD1 ILE B 304 144.381 228.018 215.899 1.00 38.61 C +ATOM 13077 H ILE B 304 141.974 224.787 215.906 1.00 34.79 H +ATOM 13078 HA ILE B 304 141.683 225.981 213.629 1.00 33.21 H +ATOM 13079 HB ILE B 304 144.070 225.427 215.044 1.00 38.43 H +ATOM 13080 HG12 ILE B 304 142.698 227.885 214.766 1.00 36.36 H +ATOM 13081 HG13 ILE B 304 142.639 226.985 216.070 1.00 36.36 H +ATOM 13082 HG21 ILE B 304 145.213 226.899 213.608 1.00 49.85 H +ATOM 13083 HG22 ILE B 304 144.658 225.659 212.785 1.00 49.85 H +ATOM 13084 HG23 ILE B 304 143.901 227.054 212.726 1.00 49.85 H +ATOM 13085 HD11 ILE B 304 144.058 228.777 216.409 1.00 46.34 H +ATOM 13086 HD12 ILE B 304 144.884 227.421 216.475 1.00 46.34 H +ATOM 13087 HD13 ILE B 304 144.943 228.324 215.169 1.00 46.34 H +ATOM 13088 N TRP B 305 143.183 223.164 213.368 1.00 31.20 N +ATOM 13089 CA TRP B 305 143.604 222.138 212.420 1.00 28.06 C +ATOM 13090 C TRP B 305 142.403 221.459 211.759 1.00 22.22 C +ATOM 13091 O TRP B 305 142.480 221.067 210.598 1.00 28.14 O +ATOM 13092 CB TRP B 305 144.494 221.092 213.107 1.00 27.33 C +ATOM 13093 CG TRP B 305 145.917 221.541 213.293 1.00 21.81 C +ATOM 13094 CD1 TRP B 305 146.526 221.873 214.469 1.00 28.42 C +ATOM 13095 CD2 TRP B 305 146.906 221.713 212.270 1.00 18.29 C +ATOM 13096 NE1 TRP B 305 147.831 222.238 214.242 1.00 23.61 N +ATOM 13097 CE2 TRP B 305 148.088 222.149 212.899 1.00 20.77 C +ATOM 13098 CE3 TRP B 305 146.907 221.540 210.883 1.00 24.77 C +ATOM 13099 CZ2 TRP B 305 149.257 222.414 212.190 1.00 21.90 C +ATOM 13100 CZ3 TRP B 305 148.068 221.803 210.182 1.00 23.02 C +ATOM 13101 CH2 TRP B 305 149.227 222.236 210.836 1.00 22.06 C +ATOM 13102 H TRP B 305 143.334 222.968 214.191 1.00 37.44 H +ATOM 13103 HA TRP B 305 144.128 222.557 211.720 1.00 33.67 H +ATOM 13104 HB2 TRP B 305 144.128 220.895 213.983 1.00 32.80 H +ATOM 13105 HB3 TRP B 305 144.506 220.287 212.566 1.00 32.80 H +ATOM 13106 HD1 TRP B 305 146.117 221.854 215.304 1.00 34.10 H +ATOM 13107 HE1 TRP B 305 148.394 222.483 214.844 1.00 28.33 H +ATOM 13108 HE3 TRP B 305 146.140 221.254 210.440 1.00 29.73 H +ATOM 13109 HZ2 TRP B 305 150.030 222.700 212.623 1.00 26.29 H +ATOM 13110 HZ3 TRP B 305 148.079 221.692 209.258 1.00 27.62 H +ATOM 13111 HH2 TRP B 305 149.995 222.405 210.338 1.00 26.47 H +ATOM 13112 N LEU B 306 141.301 221.324 212.488 1.00 27.35 N +ATOM 13113 CA LEU B 306 140.070 220.790 211.903 1.00 29.93 C +ATOM 13114 C LEU B 306 139.593 221.682 210.760 1.00 30.69 C +ATOM 13115 O LEU B 306 139.227 221.197 209.689 1.00 31.24 O +ATOM 13116 CB LEU B 306 138.968 220.666 212.956 1.00 30.08 C +ATOM 13117 CG LEU B 306 137.619 220.154 212.435 1.00 42.73 C +ATOM 13118 CD1 LEU B 306 137.682 218.668 212.134 1.00 43.63 C +ATOM 13119 CD2 LEU B 306 136.505 220.453 213.416 1.00 41.22 C +ATOM 13120 H LEU B 306 141.236 221.531 213.320 1.00 32.83 H +ATOM 13121 HA LEU B 306 140.246 219.906 211.544 1.00 35.91 H +ATOM 13122 HB2 LEU B 306 139.268 220.051 213.644 1.00 36.10 H +ATOM 13123 HB3 LEU B 306 138.817 221.541 213.348 1.00 36.10 H +ATOM 13124 HG LEU B 306 137.412 220.614 211.606 1.00 51.28 H +ATOM 13125 HD11 LEU B 306 136.816 218.375 211.808 1.00 52.36 H +ATOM 13126 HD12 LEU B 306 138.361 218.511 211.460 1.00 52.36 H +ATOM 13127 HD13 LEU B 306 137.907 218.191 212.948 1.00 52.36 H +ATOM 13128 HD21 LEU B 306 135.669 220.118 213.056 1.00 49.46 H +ATOM 13129 HD22 LEU B 306 136.702 220.017 214.259 1.00 49.46 H +ATOM 13130 HD23 LEU B 306 136.448 221.413 213.545 1.00 49.46 H +ATOM 13131 N ARG B 307 139.594 222.987 211.001 1.00 31.55 N +ATOM 13132 CA ARG B 307 139.197 223.954 209.986 1.00 30.88 C +ATOM 13133 C ARG B 307 140.103 223.867 208.764 1.00 32.82 C +ATOM 13134 O ARG B 307 139.638 223.960 207.628 1.00 26.35 O +ATOM 13135 CB ARG B 307 139.225 225.370 210.559 1.00 30.42 C +ATOM 13136 CG ARG B 307 138.212 225.605 211.662 1.00 32.73 C +ATOM 13137 CD ARG B 307 138.437 226.946 212.333 1.00 34.33 C +ATOM 13138 NE ARG B 307 137.467 227.205 213.391 1.00 35.29 N +ATOM 13139 CZ ARG B 307 137.360 228.360 214.039 1.00 41.79 C +ATOM 13140 NH1 ARG B 307 138.160 229.373 213.736 1.00 38.85 N +ATOM 13141 NH2 ARG B 307 136.448 228.504 214.991 1.00 38.11 N +ATOM 13142 H ARG B 307 139.823 223.342 211.750 1.00 37.86 H +ATOM 13143 HA ARG B 307 138.290 223.761 209.703 1.00 37.06 H +ATOM 13144 HB2 ARG B 307 140.107 225.541 210.925 1.00 36.50 H +ATOM 13145 HB3 ARG B 307 139.038 225.999 209.845 1.00 36.50 H +ATOM 13146 HG2 ARG B 307 137.318 225.599 211.284 1.00 39.28 H +ATOM 13147 HG3 ARG B 307 138.299 224.910 212.332 1.00 39.28 H +ATOM 13148 HD2 ARG B 307 139.323 226.959 212.726 1.00 41.20 H +ATOM 13149 HD3 ARG B 307 138.355 227.650 211.670 1.00 41.20 H +ATOM 13150 HE ARG B 307 136.918 226.576 213.597 1.00 42.35 H +ATOM 13151 HH11 ARG B 307 138.753 229.282 213.119 1.00 46.62 H +ATOM 13152 HH12 ARG B 307 138.087 230.119 214.157 1.00 46.62 H +ATOM 13153 HH21 ARG B 307 135.927 227.849 215.189 1.00 45.73 H +ATOM 13154 HH22 ARG B 307 136.378 229.252 215.409 1.00 45.73 H +ATOM 13155 N GLU B 308 141.398 223.684 209.003 1.00 29.02 N +ATOM 13156 CA GLU B 308 142.361 223.565 207.916 1.00 30.48 C +ATOM 13157 C GLU B 308 142.064 222.355 207.033 1.00 33.64 C +ATOM 13158 O GLU B 308 142.149 222.447 205.810 1.00 33.82 O +ATOM 13159 CB GLU B 308 143.788 223.475 208.468 1.00 31.58 C +ATOM 13160 CG GLU B 308 144.869 223.278 207.406 1.00 33.46 C +ATOM 13161 CD GLU B 308 144.967 224.435 206.429 1.00 37.10 C +ATOM 13162 OE1 GLU B 308 144.408 225.515 206.712 1.00 39.87 O +ATOM 13163 OE2 GLU B 308 145.610 224.262 205.374 1.00 34.24 O +ATOM 13164 H GLU B 308 141.745 223.626 209.788 1.00 34.82 H +ATOM 13165 HA GLU B 308 142.306 224.358 207.361 1.00 36.57 H +ATOM 13166 HB2 GLU B 308 143.989 224.297 208.942 1.00 37.90 H +ATOM 13167 HB3 GLU B 308 143.837 222.724 209.080 1.00 37.90 H +ATOM 13168 HG2 GLU B 308 145.729 223.185 207.846 1.00 40.15 H +ATOM 13169 HG3 GLU B 308 144.669 222.475 206.899 1.00 40.15 H +ATOM 13170 N HIS B 309 141.721 221.223 207.642 1.00 29.21 N +ATOM 13171 CA HIS B 309 141.412 220.030 206.861 1.00 29.73 C +ATOM 13172 C HIS B 309 140.232 220.274 205.929 1.00 29.73 C +ATOM 13173 O HIS B 309 140.286 219.943 204.746 1.00 33.50 O +ATOM 13174 CB HIS B 309 141.097 218.831 207.755 1.00 28.37 C +ATOM 13175 CG HIS B 309 140.587 217.648 206.993 1.00 25.14 C +ATOM 13176 ND1 HIS B 309 141.422 216.768 206.340 1.00 26.25 N +ATOM 13177 CD2 HIS B 309 139.326 217.226 206.742 1.00 28.44 C +ATOM 13178 CE1 HIS B 309 140.699 215.841 205.739 1.00 29.51 C +ATOM 13179 NE2 HIS B 309 139.424 216.097 205.965 1.00 26.45 N +ATOM 13180 H HIS B 309 141.659 221.120 208.494 1.00 35.05 H +ATOM 13181 HA HIS B 309 142.181 219.803 206.316 1.00 35.67 H +ATOM 13182 HB2 HIS B 309 141.906 218.562 208.218 1.00 34.05 H +ATOM 13183 HB3 HIS B 309 140.418 219.088 208.398 1.00 34.05 H +ATOM 13184 HD2 HIS B 309 138.541 217.620 207.046 1.00 34.13 H +ATOM 13185 HE1 HIS B 309 141.031 215.131 205.239 1.00 35.41 H +ATOM 13186 HE2 HIS B 309 138.761 215.630 205.677 1.00 31.74 H +ATOM 13187 N ASN B 310 139.161 220.848 206.466 1.00 33.83 N +ATOM 13188 CA ASN B 310 137.969 221.103 205.671 1.00 35.91 C +ATOM 13189 C ASN B 310 138.203 222.221 204.659 1.00 38.36 C +ATOM 13190 O ASN B 310 137.587 222.235 203.594 1.00 37.69 O +ATOM 13191 CB ASN B 310 136.783 221.437 206.579 1.00 35.75 C +ATOM 13192 CG ASN B 310 136.310 220.234 207.385 1.00 37.92 C +ATOM 13193 OD1 ASN B 310 136.643 219.091 207.071 1.00 30.04 O +ATOM 13194 ND2 ASN B 310 135.526 220.489 208.426 1.00 31.83 N +ATOM 13195 H ASN B 310 139.100 221.097 207.286 1.00 40.59 H +ATOM 13196 HA ASN B 310 137.746 220.299 205.177 1.00 43.09 H +ATOM 13197 HB2 ASN B 310 137.046 222.132 207.202 1.00 42.90 H +ATOM 13198 HB3 ASN B 310 136.042 221.743 206.032 1.00 42.90 H +ATOM 13199 HD21 ASN B 310 135.233 219.844 208.912 1.00 38.19 H +ATOM 13200 HD22 ASN B 310 135.312 221.301 208.614 1.00 38.19 H +ATOM 13201 N ARG B 311 139.104 223.145 204.981 1.00 34.90 N +ATOM 13202 CA ARG B 311 139.503 224.174 204.028 1.00 27.10 C +ATOM 13203 C ARG B 311 140.245 223.548 202.849 1.00 35.27 C +ATOM 13204 O ARG B 311 139.988 223.887 201.696 1.00 38.61 O +ATOM 13205 CB ARG B 311 140.386 225.231 204.695 1.00 32.49 C +ATOM 13206 CG ARG B 311 140.682 226.434 203.802 1.00 28.13 C +ATOM 13207 CD ARG B 311 141.768 227.326 204.385 1.00 35.05 C +ATOM 13208 NE ARG B 311 143.088 226.705 204.301 1.00 34.11 N +ATOM 13209 CZ ARG B 311 143.909 226.802 203.259 1.00 36.76 C +ATOM 13210 NH1 ARG B 311 143.565 227.506 202.189 1.00 40.93 N +ATOM 13211 NH2 ARG B 311 145.085 226.192 203.285 1.00 48.31 N +ATOM 13212 H ARG B 311 139.497 223.197 205.744 1.00 41.88 H +ATOM 13213 HA ARG B 311 138.710 224.615 203.686 1.00 32.52 H +ATOM 13214 HB2 ARG B 311 139.938 225.556 205.492 1.00 38.99 H +ATOM 13215 HB3 ARG B 311 141.233 224.824 204.936 1.00 38.99 H +ATOM 13216 HG2 ARG B 311 140.982 226.120 202.935 1.00 33.75 H +ATOM 13217 HG3 ARG B 311 139.876 226.964 203.705 1.00 33.75 H +ATOM 13218 HD2 ARG B 311 141.794 228.160 203.890 1.00 42.06 H +ATOM 13219 HD3 ARG B 311 141.572 227.498 205.319 1.00 42.06 H +ATOM 13220 HE ARG B 311 143.354 226.242 204.976 1.00 40.93 H +ATOM 13221 HH11 ARG B 311 142.802 227.903 202.163 1.00 49.12 H +ATOM 13222 HH12 ARG B 311 144.103 227.563 201.520 1.00 49.12 H +ATOM 13223 HH21 ARG B 311 145.317 225.735 203.976 1.00 57.97 H +ATOM 13224 HH22 ARG B 311 145.618 226.256 202.614 1.00 57.97 H +ATOM 13225 N VAL B 312 141.167 222.635 203.144 1.00 34.02 N +ATOM 13226 CA VAL B 312 141.947 221.972 202.104 1.00 28.80 C +ATOM 13227 C VAL B 312 141.036 221.110 201.236 1.00 25.45 C +ATOM 13228 O VAL B 312 141.267 220.967 200.036 1.00 31.37 O +ATOM 13229 CB VAL B 312 143.085 221.109 202.708 1.00 35.24 C +ATOM 13230 CG1 VAL B 312 143.688 220.166 201.662 1.00 36.59 C +ATOM 13231 CG2 VAL B 312 144.167 222.001 203.289 1.00 28.85 C +ATOM 13232 H VAL B 312 141.361 222.381 203.943 1.00 40.83 H +ATOM 13233 HA VAL B 312 142.352 222.646 201.536 1.00 34.56 H +ATOM 13234 HB VAL B 312 142.724 220.568 203.427 1.00 42.29 H +ATOM 13235 HG11 VAL B 312 144.394 219.645 202.077 1.00 43.91 H +ATOM 13236 HG12 VAL B 312 142.993 219.577 201.331 1.00 43.91 H +ATOM 13237 HG13 VAL B 312 144.051 220.694 200.934 1.00 43.91 H +ATOM 13238 HG21 VAL B 312 144.869 221.444 203.661 1.00 34.61 H +ATOM 13239 HG22 VAL B 312 144.528 222.560 202.583 1.00 34.61 H +ATOM 13240 HG23 VAL B 312 143.780 222.554 203.984 1.00 34.61 H +ATOM 13241 N CYS B 313 140.005 220.536 201.844 1.00 33.37 N +ATOM 13242 CA CYS B 313 139.016 219.768 201.096 1.00 40.12 C +ATOM 13243 C CYS B 313 138.327 220.640 200.053 1.00 37.07 C +ATOM 13244 O CYS B 313 138.138 220.220 198.912 1.00 33.42 O +ATOM 13245 CB CYS B 313 137.980 219.162 202.039 1.00 38.34 C +ATOM 13246 SG CYS B 313 138.552 217.703 202.909 1.00 40.46 S +ATOM 13247 H CYS B 313 139.854 220.576 202.690 1.00 40.05 H +ATOM 13248 HA CYS B 313 139.463 219.042 200.634 1.00 48.14 H +ATOM 13249 HB2 CYS B 313 137.736 219.826 202.703 1.00 46.00 H +ATOM 13250 HB3 CYS B 313 137.198 218.911 201.523 1.00 46.00 H +ATOM 13251 HG CYS B 313 137.673 217.303 203.621 1.00 48.55 H +ATOM 13252 N ASP B 314 137.951 221.854 200.450 1.00 33.94 N +ATOM 13253 CA ASP B 314 137.342 222.807 199.528 1.00 31.60 C +ATOM 13254 C ASP B 314 138.280 223.103 198.365 1.00 34.17 C +ATOM 13255 O ASP B 314 137.860 223.109 197.209 1.00 39.65 O +ATOM 13256 CB ASP B 314 136.979 224.109 200.247 1.00 33.54 C +ATOM 13257 CG ASP B 314 135.793 223.957 201.179 1.00 35.76 C +ATOM 13258 OD1 ASP B 314 134.948 223.070 200.938 1.00 39.22 O +ATOM 13259 OD2 ASP B 314 135.704 224.734 202.151 1.00 36.61 O +ATOM 13260 H ASP B 314 138.039 222.150 201.252 1.00 40.72 H +ATOM 13261 HA ASP B 314 136.527 222.423 199.169 1.00 37.92 H +ATOM 13262 HB2 ASP B 314 137.739 224.401 200.775 1.00 40.25 H +ATOM 13263 HB3 ASP B 314 136.756 224.783 199.586 1.00 40.25 H +ATOM 13264 N VAL B 315 139.548 223.349 198.676 1.00 32.59 N +ATOM 13265 CA VAL B 315 140.546 223.626 197.653 1.00 31.25 C +ATOM 13266 C VAL B 315 140.652 222.468 196.666 1.00 39.09 C +ATOM 13267 O VAL B 315 140.599 222.670 195.455 1.00 44.93 O +ATOM 13268 CB VAL B 315 141.931 223.893 198.276 1.00 32.46 C +ATOM 13269 CG1 VAL B 315 143.001 224.048 197.194 1.00 35.01 C +ATOM 13270 CG2 VAL B 315 141.886 225.133 199.153 1.00 33.83 C +ATOM 13271 H VAL B 315 139.856 223.360 199.479 1.00 39.11 H +ATOM 13272 HA VAL B 315 140.281 224.418 197.160 1.00 37.50 H +ATOM 13273 HB VAL B 315 142.177 223.139 198.835 1.00 38.96 H +ATOM 13274 HG11 VAL B 315 143.857 224.214 197.618 1.00 42.01 H +ATOM 13275 HG12 VAL B 315 143.042 223.231 196.672 1.00 42.01 H +ATOM 13276 HG13 VAL B 315 142.764 224.794 196.621 1.00 42.01 H +ATOM 13277 HG21 VAL B 315 142.766 225.282 199.534 1.00 40.60 H +ATOM 13278 HG22 VAL B 315 141.627 225.894 198.610 1.00 40.60 H +ATOM 13279 HG23 VAL B 315 141.238 224.995 199.861 1.00 40.60 H +ATOM 13280 N LEU B 316 140.797 221.257 197.191 1.00 40.12 N +ATOM 13281 CA LEU B 316 141.027 220.086 196.353 1.00 38.34 C +ATOM 13282 C LEU B 316 139.825 219.763 195.471 1.00 39.15 C +ATOM 13283 O LEU B 316 139.983 219.257 194.360 1.00 31.97 O +ATOM 13284 CB LEU B 316 141.377 218.879 197.223 1.00 37.49 C +ATOM 13285 CG LEU B 316 142.802 218.867 197.783 1.00 31.83 C +ATOM 13286 CD1 LEU B 316 142.948 217.786 198.839 1.00 35.89 C +ATOM 13287 CD2 LEU B 316 143.815 218.660 196.669 1.00 31.65 C +ATOM 13288 H LEU B 316 140.766 221.086 198.033 1.00 48.15 H +ATOM 13289 HA LEU B 316 141.783 220.262 195.771 1.00 46.00 H +ATOM 13290 HB2 LEU B 316 140.768 218.857 197.978 1.00 44.99 H +ATOM 13291 HB3 LEU B 316 141.266 218.075 196.693 1.00 44.99 H +ATOM 13292 HG LEU B 316 142.986 219.722 198.202 1.00 38.19 H +ATOM 13293 HD11 LEU B 316 143.857 217.797 199.178 1.00 43.07 H +ATOM 13294 HD12 LEU B 316 142.323 217.963 199.560 1.00 43.07 H +ATOM 13295 HD13 LEU B 316 142.755 216.924 198.437 1.00 43.07 H +ATOM 13296 HD21 LEU B 316 144.707 218.656 197.051 1.00 37.97 H +ATOM 13297 HD22 LEU B 316 143.637 217.811 196.235 1.00 37.97 H +ATOM 13298 HD23 LEU B 316 143.732 219.384 196.029 1.00 37.97 H +ATOM 13299 N LYS B 317 138.628 220.055 195.965 1.00 43.93 N +ATOM 13300 CA LYS B 317 137.412 219.796 195.204 1.00 51.88 C +ATOM 13301 C LYS B 317 137.355 220.688 193.968 1.00 53.90 C +ATOM 13302 O LYS B 317 136.950 220.249 192.892 1.00 50.95 O +ATOM 13303 CB LYS B 317 136.176 220.018 196.072 1.00 50.29 C +ATOM 13304 CG LYS B 317 134.882 219.640 195.382 1.00 58.62 C +ATOM 13305 CD LYS B 317 133.718 219.603 196.358 1.00 65.54 C +ATOM 13306 CE LYS B 317 132.672 218.588 195.935 1.00 69.74 C +ATOM 13307 NZ LYS B 317 133.210 217.198 195.929 1.00 72.04 N +ATOM 13308 H LYS B 317 138.492 220.403 196.739 1.00 52.72 H +ATOM 13309 HA LYS B 317 137.412 218.872 194.909 1.00 62.25 H +ATOM 13310 HB2 LYS B 317 136.255 219.479 196.874 1.00 60.35 H +ATOM 13311 HB3 LYS B 317 136.123 220.957 196.309 1.00 60.35 H +ATOM 13312 HG2 LYS B 317 134.682 220.295 194.695 1.00 70.34 H +ATOM 13313 HG3 LYS B 317 134.976 218.758 194.987 1.00 70.34 H +ATOM 13314 HD2 LYS B 317 134.045 219.355 197.237 1.00 78.65 H +ATOM 13315 HD3 LYS B 317 133.299 220.477 196.389 1.00 78.65 H +ATOM 13316 HE2 LYS B 317 131.928 218.621 196.556 1.00 83.69 H +ATOM 13317 HE3 LYS B 317 132.369 218.799 195.038 1.00 83.69 H +ATOM 13318 HZ1 LYS B 317 132.575 216.627 195.677 1.00 86.45 H +ATOM 13319 HZ2 LYS B 317 133.893 217.139 195.361 1.00 86.45 H +ATOM 13320 HZ3 LYS B 317 133.491 216.977 196.744 1.00 86.45 H +ATOM 13321 N GLN B 318 137.757 221.942 194.135 1.00 50.61 N +ATOM 13322 CA GLN B 318 137.864 222.870 193.020 1.00 53.54 C +ATOM 13323 C GLN B 318 138.861 222.340 191.996 1.00 53.04 C +ATOM 13324 O GLN B 318 138.671 222.488 190.790 1.00 69.97 O +ATOM 13325 CB GLN B 318 138.298 224.252 193.513 1.00 61.72 C +ATOM 13326 CG GLN B 318 138.398 225.315 192.419 1.00 81.23 C +ATOM 13327 CD GLN B 318 139.446 226.371 192.717 1.00 89.93 C +ATOM 13328 OE1 GLN B 318 139.904 226.511 193.851 1.00 89.51 O +ATOM 13329 NE2 GLN B 318 139.836 227.118 191.692 1.00 94.49 N +ATOM 13330 H GLN B 318 137.977 222.282 194.893 1.00 60.73 H +ATOM 13331 HA GLN B 318 137.000 222.956 192.589 1.00 64.25 H +ATOM 13332 HB2 GLN B 318 137.654 224.564 194.168 1.00 74.06 H +ATOM 13333 HB3 GLN B 318 139.172 224.174 193.927 1.00 74.06 H +ATOM 13334 HG2 GLN B 318 138.634 224.885 191.582 1.00 97.48 H +ATOM 13335 HG3 GLN B 318 137.540 225.760 192.333 1.00 97.48 H +ATOM 13336 HE21 GLN B 318 139.497 226.989 190.912 1.00113.39 H +ATOM 13337 HE22 GLN B 318 140.428 227.731 191.807 1.00113.39 H +ATOM 13338 N GLU B 319 139.927 221.721 192.490 1.00 49.46 N +ATOM 13339 CA GLU B 319 140.970 221.182 191.625 1.00 50.41 C +ATOM 13340 C GLU B 319 140.531 219.875 190.986 1.00 44.30 C +ATOM 13341 O GLU B 319 140.906 219.572 189.856 1.00 49.83 O +ATOM 13342 CB GLU B 319 142.259 220.964 192.417 1.00 48.27 C +ATOM 13343 CG GLU B 319 142.888 222.245 192.923 1.00 53.81 C +ATOM 13344 CD GLU B 319 143.260 223.184 191.796 1.00 58.48 C +ATOM 13345 OE1 GLU B 319 144.133 222.815 190.983 1.00 45.29 O +ATOM 13346 OE2 GLU B 319 142.672 224.284 191.716 1.00 63.95 O +ATOM 13347 H GLU B 319 140.071 221.599 193.329 1.00 59.35 H +ATOM 13348 HA GLU B 319 141.154 221.818 190.916 1.00 60.49 H +ATOM 13349 HB2 GLU B 319 142.064 220.406 193.186 1.00 57.92 H +ATOM 13350 HB3 GLU B 319 142.906 220.522 191.846 1.00 57.92 H +ATOM 13351 HG2 GLU B 319 142.257 222.702 193.501 1.00 64.57 H +ATOM 13352 HG3 GLU B 319 143.696 222.030 193.416 1.00 64.57 H +ATOM 13353 N HIS B 320 139.731 219.107 191.716 1.00 46.36 N +ATOM 13354 CA HIS B 320 139.330 217.776 191.277 1.00 54.72 C +ATOM 13355 C HIS B 320 137.844 217.539 191.502 1.00 53.77 C +ATOM 13356 O HIS B 320 137.459 216.810 192.415 1.00 48.21 O +ATOM 13357 CB HIS B 320 140.148 216.712 192.007 1.00 44.34 C +ATOM 13358 CG HIS B 320 141.622 216.827 191.776 1.00 41.69 C +ATOM 13359 ND1 HIS B 320 142.239 216.328 190.651 1.00 38.45 N +ATOM 13360 CD2 HIS B 320 142.600 217.389 192.524 1.00 38.41 C +ATOM 13361 CE1 HIS B 320 143.534 216.574 190.716 1.00 40.26 C +ATOM 13362 NE2 HIS B 320 143.780 217.216 191.844 1.00 46.42 N +ATOM 13363 H HIS B 320 139.404 219.335 192.478 1.00 55.63 H +ATOM 13364 HA HIS B 320 139.507 217.691 190.327 1.00 65.66 H +ATOM 13365 HB2 HIS B 320 139.989 216.795 192.960 1.00 53.20 H +ATOM 13366 HB3 HIS B 320 139.867 215.836 191.701 1.00 53.20 H +ATOM 13367 HD1 HIS B 320 141.842 215.919 190.006 1.00 46.14 H +ATOM 13368 HD2 HIS B 320 142.493 217.810 193.347 1.00 46.09 H +ATOM 13369 HE1 HIS B 320 144.167 216.336 190.077 1.00 48.31 H +ATOM 13370 HE2 HIS B 320 144.553 217.484 192.108 1.00 55.71 H +ATOM 13371 N PRO B 321 136.999 218.151 190.660 1.00 55.45 N +ATOM 13372 CA PRO B 321 135.551 217.937 190.767 1.00 53.93 C +ATOM 13373 C PRO B 321 135.154 216.479 190.553 1.00 47.46 C +ATOM 13374 O PRO B 321 134.019 216.112 190.847 1.00 52.42 O +ATOM 13375 CB PRO B 321 134.977 218.834 189.657 1.00 49.04 C +ATOM 13376 CG PRO B 321 136.112 219.091 188.728 1.00 52.23 C +ATOM 13377 CD PRO B 321 137.342 219.085 189.574 1.00 58.64 C +ATOM 13378 HA PRO B 321 135.226 218.240 191.629 1.00 64.72 H +ATOM 13379 HB2 PRO B 321 134.260 218.368 189.201 1.00 58.85 H +ATOM 13380 HB3 PRO B 321 134.656 219.664 190.043 1.00 58.85 H +ATOM 13381 HG2 PRO B 321 136.153 218.386 188.062 1.00 62.68 H +ATOM 13382 HG3 PRO B 321 135.995 219.955 188.303 1.00 62.68 H +ATOM 13383 HD2 PRO B 321 138.100 218.753 189.069 1.00 70.37 H +ATOM 13384 HD3 PRO B 321 137.512 219.971 189.931 1.00 70.37 H +ATOM 13385 N GLU B 322 136.085 215.665 190.060 1.00 43.84 N +ATOM 13386 CA GLU B 322 135.817 214.261 189.762 1.00 44.18 C +ATOM 13387 C GLU B 322 136.170 213.332 190.922 1.00 48.88 C +ATOM 13388 O GLU B 322 135.893 212.135 190.868 1.00 47.69 O +ATOM 13389 CB GLU B 322 136.584 213.829 188.502 1.00 46.06 C +ATOM 13390 CG GLU B 322 138.096 213.619 188.680 1.00 41.34 C +ATOM 13391 CD GLU B 322 138.872 214.913 188.842 1.00 45.01 C +ATOM 13392 OE1 GLU B 322 138.250 215.995 188.862 1.00 50.69 O +ATOM 13393 OE2 GLU B 322 140.113 214.849 188.949 1.00 46.20 O +ATOM 13394 H GLU B 322 136.892 215.907 189.886 1.00 52.61 H +ATOM 13395 HA GLU B 322 134.869 214.158 189.580 1.00 53.02 H +ATOM 13396 HB2 GLU B 322 136.210 212.991 188.189 1.00 55.28 H +ATOM 13397 HB3 GLU B 322 136.465 214.511 187.822 1.00 55.28 H +ATOM 13398 HG2 GLU B 322 138.246 213.081 189.473 1.00 49.61 H +ATOM 13399 HG3 GLU B 322 138.443 213.160 187.900 1.00 49.61 H +ATOM 13400 N TRP B 323 136.786 213.878 191.968 1.00 55.25 N +ATOM 13401 CA TRP B 323 137.228 213.071 193.105 1.00 45.21 C +ATOM 13402 C TRP B 323 136.097 212.738 194.069 1.00 46.99 C +ATOM 13403 O TRP B 323 135.223 213.562 194.331 1.00 36.24 O +ATOM 13404 CB TRP B 323 138.339 213.789 193.874 1.00 37.02 C +ATOM 13405 CG TRP B 323 139.710 213.600 193.309 1.00 32.97 C +ATOM 13406 CD1 TRP B 323 140.040 212.985 192.137 1.00 37.62 C +ATOM 13407 CD2 TRP B 323 140.941 214.027 193.899 1.00 34.28 C +ATOM 13408 NE1 TRP B 323 141.401 213.004 191.960 1.00 34.66 N +ATOM 13409 CE2 TRP B 323 141.977 213.639 193.029 1.00 38.24 C +ATOM 13410 CE3 TRP B 323 141.268 214.700 195.078 1.00 30.70 C +ATOM 13411 CZ2 TRP B 323 143.315 213.902 193.300 1.00 31.06 C +ATOM 13412 CZ3 TRP B 323 142.593 214.959 195.345 1.00 27.20 C +ATOM 13413 CH2 TRP B 323 143.602 214.561 194.460 1.00 28.13 C +ATOM 13414 H TRP B 323 136.960 214.717 192.045 1.00 66.30 H +ATOM 13415 HA TRP B 323 137.590 212.235 192.772 1.00 54.26 H +ATOM 13416 HB2 TRP B 323 138.151 214.741 193.875 1.00 44.42 H +ATOM 13417 HB3 TRP B 323 138.349 213.458 194.786 1.00 44.42 H +ATOM 13418 HD1 TRP B 323 139.431 212.608 191.544 1.00 45.15 H +ATOM 13419 HE1 TRP B 323 141.822 212.673 191.288 1.00 41.59 H +ATOM 13420 HE3 TRP B 323 140.604 214.968 195.672 1.00 36.84 H +ATOM 13421 HZ2 TRP B 323 143.988 213.639 192.715 1.00 37.27 H +ATOM 13422 HZ3 TRP B 323 142.822 215.407 196.127 1.00 32.64 H +ATOM 13423 HH2 TRP B 323 144.489 214.751 194.668 1.00 33.75 H +ATOM 13424 N GLY B 324 136.140 211.523 194.604 1.00 39.78 N +ATOM 13425 CA GLY B 324 135.196 211.098 195.617 1.00 36.85 C +ATOM 13426 C GLY B 324 135.614 211.559 196.999 1.00 35.16 C +ATOM 13427 O GLY B 324 136.700 212.111 197.179 1.00 31.79 O +ATOM 13428 H GLY B 324 136.716 210.921 194.391 1.00 47.74 H +ATOM 13429 HA2 GLY B 324 134.320 211.465 195.419 1.00 44.22 H +ATOM 13430 HA3 GLY B 324 135.134 210.130 195.618 1.00 44.22 H +ATOM 13431 N ASP B 325 134.744 211.326 197.975 1.00 31.43 N +ATOM 13432 CA ASP B 325 135.001 211.695 199.362 1.00 35.34 C +ATOM 13433 C ASP B 325 136.292 211.077 199.894 1.00 38.18 C +ATOM 13434 O ASP B 325 137.038 211.718 200.632 1.00 37.10 O +ATOM 13435 CB ASP B 325 133.813 211.273 200.234 1.00 29.43 C +ATOM 13436 CG ASP B 325 134.144 211.253 201.713 1.00 36.58 C +ATOM 13437 OD1 ASP B 325 134.156 212.332 202.336 1.00 33.06 O +ATOM 13438 OD2 ASP B 325 134.376 210.154 202.257 1.00 35.83 O +ATOM 13439 H ASP B 325 133.981 210.947 197.856 1.00 37.71 H +ATOM 13440 HA ASP B 325 135.086 212.660 199.420 1.00 42.40 H +ATOM 13441 HB2 ASP B 325 133.084 211.898 200.099 1.00 35.32 H +ATOM 13442 HB3 ASP B 325 133.536 210.379 199.978 1.00 35.32 H +ATOM 13443 N GLU B 326 136.558 209.833 199.513 1.00 35.27 N +ATOM 13444 CA GLU B 326 137.704 209.106 200.048 1.00 38.88 C +ATOM 13445 C GLU B 326 139.032 209.756 199.662 1.00 37.10 C +ATOM 13446 O GLU B 326 139.867 210.022 200.526 1.00 34.01 O +ATOM 13447 CB GLU B 326 137.678 207.650 199.574 1.00 36.39 C +ATOM 13448 CG GLU B 326 138.804 206.783 200.131 1.00 36.25 C +ATOM 13449 CD GLU B 326 138.733 206.610 201.635 1.00 29.66 C +ATOM 13450 OE1 GLU B 326 137.693 206.954 202.233 1.00 39.01 O +ATOM 13451 OE2 GLU B 326 139.720 206.126 202.223 1.00 34.72 O +ATOM 13452 H GLU B 326 136.091 209.387 198.946 1.00 42.32 H +ATOM 13453 HA GLU B 326 137.646 209.103 201.016 1.00 46.66 H +ATOM 13454 HB2 GLU B 326 136.837 207.250 199.845 1.00 43.67 H +ATOM 13455 HB3 GLU B 326 137.749 207.638 198.606 1.00 43.67 H +ATOM 13456 HG2 GLU B 326 138.753 205.902 199.726 1.00 43.50 H +ATOM 13457 HG3 GLU B 326 139.655 207.196 199.918 1.00 43.50 H +ATOM 13458 N GLN B 327 139.233 210.008 198.372 1.00 31.22 N +ATOM 13459 CA GLN B 327 140.497 210.565 197.904 1.00 33.86 C +ATOM 13460 C GLN B 327 140.681 212.000 198.391 1.00 33.07 C +ATOM 13461 O GLN B 327 141.803 212.436 198.637 1.00 34.77 O +ATOM 13462 CB GLN B 327 140.588 210.512 196.378 1.00 33.19 C +ATOM 13463 CG GLN B 327 141.944 210.938 195.840 1.00 32.61 C +ATOM 13464 CD GLN B 327 142.162 210.548 194.390 1.00 33.21 C +ATOM 13465 OE1 GLN B 327 141.223 210.185 193.681 1.00 36.73 O +ATOM 13466 NE2 GLN B 327 143.410 210.617 193.945 1.00 31.87 N +ATOM 13467 H GLN B 327 138.655 209.867 197.750 1.00 37.47 H +ATOM 13468 HA GLN B 327 141.225 210.034 198.264 1.00 40.64 H +ATOM 13469 HB2 GLN B 327 140.424 209.602 196.085 1.00 39.82 H +ATOM 13470 HB3 GLN B 327 139.918 211.105 196.002 1.00 39.82 H +ATOM 13471 HG2 GLN B 327 142.018 211.903 195.904 1.00 39.13 H +ATOM 13472 HG3 GLN B 327 142.639 210.518 196.370 1.00 39.13 H +ATOM 13473 HE21 GLN B 327 144.041 210.872 194.470 1.00 38.25 H +ATOM 13474 HE22 GLN B 327 143.588 210.406 193.130 1.00 38.25 H +ATOM 13475 N LEU B 328 139.578 212.726 198.532 1.00 38.05 N +ATOM 13476 CA LEU B 328 139.624 214.084 199.060 1.00 35.33 C +ATOM 13477 C LEU B 328 140.103 214.085 200.509 1.00 34.72 C +ATOM 13478 O LEU B 328 140.939 214.903 200.893 1.00 30.74 O +ATOM 13479 CB LEU B 328 138.251 214.747 198.957 1.00 32.57 C +ATOM 13480 CG LEU B 328 137.799 215.121 197.544 1.00 42.98 C +ATOM 13481 CD1 LEU B 328 136.291 215.292 197.495 1.00 45.72 C +ATOM 13482 CD2 LEU B 328 138.498 216.393 197.076 1.00 36.28 C +ATOM 13483 H LEU B 328 138.788 212.454 198.328 1.00 45.66 H +ATOM 13484 HA LEU B 328 140.250 214.607 198.535 1.00 42.40 H +ATOM 13485 HB2 LEU B 328 137.589 214.138 199.322 1.00 39.09 H +ATOM 13486 HB3 LEU B 328 138.264 215.562 199.483 1.00 39.09 H +ATOM 13487 HG LEU B 328 138.040 214.405 196.935 1.00 51.57 H +ATOM 13488 HD11 LEU B 328 136.030 215.528 196.591 1.00 54.87 H +ATOM 13489 HD12 LEU B 328 135.871 214.457 197.754 1.00 54.87 H +ATOM 13490 HD13 LEU B 328 136.034 215.997 198.109 1.00 54.87 H +ATOM 13491 HD21 LEU B 328 138.195 216.608 196.180 1.00 43.54 H +ATOM 13492 HD22 LEU B 328 138.275 217.116 197.683 1.00 43.54 H +ATOM 13493 HD23 LEU B 328 139.456 216.245 197.075 1.00 43.54 H +ATOM 13494 N PHE B 329 139.572 213.167 201.312 1.00 30.57 N +ATOM 13495 CA PHE B 329 139.996 213.044 202.701 1.00 32.83 C +ATOM 13496 C PHE B 329 141.471 212.674 202.807 1.00 30.87 C +ATOM 13497 O PHE B 329 142.244 213.364 203.470 1.00 27.26 O +ATOM 13498 CB PHE B 329 139.163 211.996 203.444 1.00 32.18 C +ATOM 13499 CG PHE B 329 139.689 211.679 204.814 1.00 30.44 C +ATOM 13500 CD1 PHE B 329 139.427 212.520 205.881 1.00 27.22 C +ATOM 13501 CD2 PHE B 329 140.462 210.552 205.031 1.00 27.00 C +ATOM 13502 CE1 PHE B 329 139.919 212.238 207.140 1.00 26.51 C +ATOM 13503 CE2 PHE B 329 140.957 210.266 206.288 1.00 27.41 C +ATOM 13504 CZ PHE B 329 140.684 211.111 207.345 1.00 22.87 C +ATOM 13505 H PHE B 329 138.967 212.604 201.076 1.00 36.69 H +ATOM 13506 HA PHE B 329 139.868 213.897 203.146 1.00 39.39 H +ATOM 13507 HB2 PHE B 329 138.256 212.327 203.542 1.00 38.62 H +ATOM 13508 HB3 PHE B 329 139.160 211.175 202.928 1.00 38.62 H +ATOM 13509 HD1 PHE B 329 138.912 213.283 205.749 1.00 32.67 H +ATOM 13510 HD2 PHE B 329 140.650 209.980 204.322 1.00 32.40 H +ATOM 13511 HE1 PHE B 329 139.733 212.809 207.851 1.00 31.81 H +ATOM 13512 HE2 PHE B 329 141.473 209.504 206.423 1.00 32.89 H +ATOM 13513 HZ PHE B 329 141.014 210.919 208.193 1.00 27.44 H +ATOM 13514 N GLN B 330 141.849 211.578 202.157 1.00 31.33 N +ATOM 13515 CA GLN B 330 143.211 211.063 202.238 1.00 34.58 C +ATOM 13516 C GLN B 330 144.230 212.083 201.740 1.00 30.31 C +ATOM 13517 O GLN B 330 145.266 212.287 202.366 1.00 27.46 O +ATOM 13518 CB GLN B 330 143.345 209.769 201.431 1.00 29.95 C +ATOM 13519 CG GLN B 330 142.464 208.626 201.914 1.00 20.37 C +ATOM 13520 CD GLN B 330 142.914 208.036 203.233 1.00 26.20 C +ATOM 13521 OE1 GLN B 330 144.013 208.309 203.712 1.00 31.41 O +ATOM 13522 NE2 GLN B 330 142.061 207.216 203.828 1.00 32.90 N +ATOM 13523 H GLN B 330 141.328 211.110 201.658 1.00 37.60 H +ATOM 13524 HA GLN B 330 143.417 210.861 203.164 1.00 41.50 H +ATOM 13525 HB2 GLN B 330 143.108 209.953 200.509 1.00 35.94 H +ATOM 13526 HB3 GLN B 330 144.266 209.469 201.478 1.00 35.94 H +ATOM 13527 HG2 GLN B 330 141.558 208.955 202.028 1.00 24.44 H +ATOM 13528 HG3 GLN B 330 142.477 207.918 201.251 1.00 24.44 H +ATOM 13529 HE21 GLN B 330 141.302 207.046 203.462 1.00 39.48 H +ATOM 13530 HE22 GLN B 330 142.267 206.853 204.580 1.00 39.48 H +ATOM 13531 N THR B 331 143.934 212.724 200.616 1.00 34.78 N +ATOM 13532 CA THR B 331 144.866 213.678 200.029 1.00 31.87 C +ATOM 13533 C THR B 331 145.018 214.900 200.931 1.00 29.88 C +ATOM 13534 O THR B 331 146.102 215.469 201.036 1.00 32.05 O +ATOM 13535 CB THR B 331 144.415 214.115 198.624 1.00 29.76 C +ATOM 13536 OG1 THR B 331 144.270 212.960 197.790 1.00 27.35 O +ATOM 13537 CG2 THR B 331 145.435 215.058 197.992 1.00 31.88 C +ATOM 13538 H THR B 331 143.202 212.625 200.174 1.00 41.74 H +ATOM 13539 HA THR B 331 145.736 213.258 199.946 1.00 38.25 H +ATOM 13540 HB THR B 331 143.565 214.578 198.686 1.00 35.72 H +ATOM 13541 HG1 THR B 331 143.696 212.441 198.115 1.00 32.82 H +ATOM 13542 HG21 THR B 331 145.137 215.324 197.108 1.00 38.25 H +ATOM 13543 HG22 THR B 331 145.538 215.850 198.542 1.00 38.25 H +ATOM 13544 HG23 THR B 331 146.293 214.613 197.915 1.00 38.25 H +ATOM 13545 N SER B 332 143.932 215.290 201.591 1.00 26.42 N +ATOM 13546 CA SER B 332 143.970 216.407 202.527 1.00 29.79 C +ATOM 13547 C SER B 332 144.875 216.089 203.708 1.00 29.48 C +ATOM 13548 O SER B 332 145.621 216.945 204.176 1.00 29.81 O +ATOM 13549 CB SER B 332 142.564 216.748 203.028 1.00 34.67 C +ATOM 13550 OG SER B 332 141.826 217.452 202.047 1.00 35.81 O +ATOM 13551 H SER B 332 143.158 214.923 201.513 1.00 31.70 H +ATOM 13552 HA SER B 332 144.327 217.188 202.076 1.00 35.75 H +ATOM 13553 HB2 SER B 332 142.098 215.924 203.241 1.00 41.60 H +ATOM 13554 HB3 SER B 332 142.639 217.300 203.822 1.00 41.60 H +ATOM 13555 HG SER B 332 141.058 217.631 202.338 1.00 42.98 H +ATOM 13556 N ARG B 333 144.797 214.853 204.189 1.00 35.68 N +ATOM 13557 CA ARG B 333 145.607 214.418 205.317 1.00 29.08 C +ATOM 13558 C ARG B 333 147.094 214.476 204.977 1.00 26.90 C +ATOM 13559 O ARG B 333 147.906 214.920 205.788 1.00 20.88 O +ATOM 13560 CB ARG B 333 145.213 213.004 205.743 1.00 37.03 C +ATOM 13561 CG ARG B 333 146.099 212.409 206.831 1.00 38.87 C +ATOM 13562 CD ARG B 333 145.522 211.115 207.383 1.00 31.01 C +ATOM 13563 NE ARG B 333 146.159 210.735 208.640 1.00 29.33 N +ATOM 13564 CZ ARG B 333 145.768 209.723 209.407 1.00 26.84 C +ATOM 13565 NH1 ARG B 333 144.735 208.969 209.053 1.00 27.10 N +ATOM 13566 NH2 ARG B 333 146.414 209.465 210.534 1.00 29.64 N +ATOM 13567 H ARG B 333 144.278 214.243 203.876 1.00 42.82 H +ATOM 13568 HA ARG B 333 145.448 215.012 206.067 1.00 34.90 H +ATOM 13569 HB2 ARG B 333 144.304 213.023 206.081 1.00 44.43 H +ATOM 13570 HB3 ARG B 333 145.263 212.421 204.970 1.00 44.43 H +ATOM 13571 HG2 ARG B 333 146.974 212.216 206.460 1.00 46.64 H +ATOM 13572 HG3 ARG B 333 146.177 213.042 207.562 1.00 46.64 H +ATOM 13573 HD2 ARG B 333 144.573 211.233 207.547 1.00 37.21 H +ATOM 13574 HD3 ARG B 333 145.666 210.402 206.742 1.00 37.21 H +ATOM 13575 HE ARG B 333 146.834 211.199 208.902 1.00 35.20 H +ATOM 13576 HH11 ARG B 333 144.312 209.134 208.323 1.00 32.51 H +ATOM 13577 HH12 ARG B 333 144.488 208.315 209.554 1.00 32.51 H +ATOM 13578 HH21 ARG B 333 147.084 209.950 210.766 1.00 35.56 H +ATOM 13579 HH22 ARG B 333 146.165 208.809 211.031 1.00 35.56 H +ATOM 13580 N LEU B 334 147.449 214.031 203.777 1.00 22.37 N +ATOM 13581 CA LEU B 334 148.836 214.072 203.337 1.00 24.98 C +ATOM 13582 C LEU B 334 149.331 215.512 203.251 1.00 33.25 C +ATOM 13583 O LEU B 334 150.492 215.796 203.545 1.00 34.89 O +ATOM 13584 CB LEU B 334 148.997 213.374 201.985 1.00 26.60 C +ATOM 13585 CG LEU B 334 148.801 211.853 201.951 1.00 28.96 C +ATOM 13586 CD1 LEU B 334 149.087 211.322 200.557 1.00 29.45 C +ATOM 13587 CD2 LEU B 334 149.681 211.150 202.972 1.00 28.78 C +ATOM 13588 H LEU B 334 146.904 213.700 203.199 1.00 26.85 H +ATOM 13589 HA LEU B 334 149.387 213.603 203.984 1.00 29.98 H +ATOM 13590 HB2 LEU B 334 148.353 213.758 201.370 1.00 31.92 H +ATOM 13591 HB3 LEU B 334 149.893 213.552 201.659 1.00 31.92 H +ATOM 13592 HG LEU B 334 147.876 211.650 202.163 1.00 34.75 H +ATOM 13593 HD11 LEU B 334 148.958 210.361 200.553 1.00 35.35 H +ATOM 13594 HD12 LEU B 334 148.478 211.741 199.928 1.00 35.35 H +ATOM 13595 HD13 LEU B 334 150.004 211.535 200.320 1.00 35.35 H +ATOM 13596 HD21 LEU B 334 149.526 210.194 202.917 1.00 34.54 H +ATOM 13597 HD22 LEU B 334 150.610 211.347 202.776 1.00 34.54 H +ATOM 13598 HD23 LEU B 334 149.454 211.472 203.858 1.00 34.54 H +ATOM 13599 N ILE B 335 148.448 216.423 202.858 1.00 35.96 N +ATOM 13600 CA ILE B 335 148.807 217.829 202.773 1.00 32.49 C +ATOM 13601 C ILE B 335 149.013 218.410 204.168 1.00 32.54 C +ATOM 13602 O ILE B 335 149.987 219.122 204.410 1.00 29.95 O +ATOM 13603 CB ILE B 335 147.735 218.635 202.006 1.00 35.63 C +ATOM 13604 CG1 ILE B 335 147.868 218.364 200.505 1.00 37.28 C +ATOM 13605 CG2 ILE B 335 147.874 220.135 202.270 1.00 26.74 C +ATOM 13606 CD1 ILE B 335 146.698 218.843 199.679 1.00 35.33 C +ATOM 13607 H ILE B 335 147.635 216.251 202.636 1.00 43.15 H +ATOM 13608 HA ILE B 335 149.644 217.910 202.289 1.00 38.98 H +ATOM 13609 HB ILE B 335 146.857 218.346 202.299 1.00 42.76 H +ATOM 13610 HG12 ILE B 335 148.663 218.812 200.178 1.00 44.74 H +ATOM 13611 HG13 ILE B 335 147.953 217.407 200.369 1.00 44.74 H +ATOM 13612 HG21 ILE B 335 147.187 220.608 201.774 1.00 32.09 H +ATOM 13613 HG22 ILE B 335 147.769 220.299 203.220 1.00 32.09 H +ATOM 13614 HG23 ILE B 335 148.753 220.426 201.978 1.00 32.09 H +ATOM 13615 HD11 ILE B 335 146.863 218.632 198.747 1.00 42.40 H +ATOM 13616 HD12 ILE B 335 145.893 218.394 199.982 1.00 42.40 H +ATOM 13617 HD13 ILE B 335 146.605 219.802 199.791 1.00 42.40 H +ATOM 13618 N LEU B 336 148.104 218.100 205.086 1.00 27.56 N +ATOM 13619 CA LEU B 336 148.194 218.634 206.440 1.00 32.37 C +ATOM 13620 C LEU B 336 149.406 218.071 207.184 1.00 28.89 C +ATOM 13621 O LEU B 336 149.968 218.740 208.048 1.00 25.91 O +ATOM 13622 CB LEU B 336 146.911 218.348 207.224 1.00 29.61 C +ATOM 13623 CG LEU B 336 145.904 219.505 207.255 1.00 32.01 C +ATOM 13624 CD1 LEU B 336 145.288 219.731 205.884 1.00 28.30 C +ATOM 13625 CD2 LEU B 336 144.820 219.255 208.289 1.00 25.98 C +ATOM 13626 H LEU B 336 147.429 217.585 204.952 1.00 33.08 H +ATOM 13627 HA LEU B 336 148.300 219.597 206.388 1.00 38.84 H +ATOM 13628 HB2 LEU B 336 146.468 217.584 206.824 1.00 35.53 H +ATOM 13629 HB3 LEU B 336 147.149 218.142 208.142 1.00 35.53 H +ATOM 13630 HG LEU B 336 146.371 220.317 207.506 1.00 38.41 H +ATOM 13631 HD11 LEU B 336 144.659 220.467 205.939 1.00 33.96 H +ATOM 13632 HD12 LEU B 336 145.993 219.944 205.253 1.00 33.96 H +ATOM 13633 HD13 LEU B 336 144.830 218.922 205.607 1.00 33.96 H +ATOM 13634 HD21 LEU B 336 144.201 220.002 208.284 1.00 31.18 H +ATOM 13635 HD22 LEU B 336 144.352 218.435 208.064 1.00 31.18 H +ATOM 13636 HD23 LEU B 336 145.231 219.172 209.164 1.00 31.18 H +ATOM 13637 N ILE B 337 149.812 216.850 206.844 1.00 28.50 N +ATOM 13638 CA ILE B 337 151.038 216.276 207.390 1.00 38.18 C +ATOM 13639 C ILE B 337 152.227 217.121 206.945 1.00 28.99 C +ATOM 13640 O ILE B 337 153.073 217.492 207.755 1.00 27.53 O +ATOM 13641 CB ILE B 337 151.227 214.804 206.949 1.00 31.57 C +ATOM 13642 CG1 ILE B 337 150.263 213.897 207.718 1.00 21.85 C +ATOM 13643 CG2 ILE B 337 152.672 214.332 207.181 1.00 28.89 C +ATOM 13644 CD1 ILE B 337 150.174 212.491 207.179 1.00 25.89 C +ATOM 13645 H ILE B 337 149.394 216.333 206.298 1.00 34.20 H +ATOM 13646 HA ILE B 337 150.996 216.298 208.359 1.00 45.81 H +ATOM 13647 HB ILE B 337 151.028 214.736 206.002 1.00 37.88 H +ATOM 13648 HG12 ILE B 337 150.558 213.842 208.641 1.00 26.22 H +ATOM 13649 HG13 ILE B 337 149.375 214.285 207.681 1.00 26.22 H +ATOM 13650 HG21 ILE B 337 152.752 213.409 206.894 1.00 34.67 H +ATOM 13651 HG22 ILE B 337 153.273 214.893 206.667 1.00 34.67 H +ATOM 13652 HG23 ILE B 337 152.878 214.405 208.126 1.00 34.67 H +ATOM 13653 HD11 ILE B 337 149.546 211.986 207.719 1.00 31.07 H +ATOM 13654 HD12 ILE B 337 149.867 212.524 206.259 1.00 31.07 H +ATOM 13655 HD13 ILE B 337 151.051 212.080 207.221 1.00 31.07 H +ATOM 13656 N GLY B 338 152.278 217.424 205.653 1.00 30.85 N +ATOM 13657 CA GLY B 338 153.322 218.271 205.105 1.00 29.78 C +ATOM 13658 C GLY B 338 153.333 219.656 205.722 1.00 28.71 C +ATOM 13659 O GLY B 338 154.397 220.199 206.015 1.00 28.97 O +ATOM 13660 H GLY B 338 151.710 217.148 205.069 1.00 37.02 H +ATOM 13661 HA2 GLY B 338 154.186 217.859 205.261 1.00 35.73 H +ATOM 13662 HA3 GLY B 338 153.194 218.362 204.148 1.00 35.73 H +ATOM 13663 N GLU B 339 152.150 220.231 205.911 1.00 33.85 N +ATOM 13664 CA GLU B 339 152.021 221.530 206.564 1.00 29.67 C +ATOM 13665 C GLU B 339 152.616 221.495 207.961 1.00 29.37 C +ATOM 13666 O GLU B 339 153.270 222.445 208.391 1.00 25.60 O +ATOM 13667 CB GLU B 339 150.556 221.958 206.657 1.00 34.71 C +ATOM 13668 CG GLU B 339 149.916 222.347 205.340 1.00 38.07 C +ATOM 13669 CD GLU B 339 148.504 222.857 205.525 1.00 41.67 C +ATOM 13670 OE1 GLU B 339 148.313 223.800 206.320 1.00 39.98 O +ATOM 13671 OE2 GLU B 339 147.585 222.309 204.884 1.00 38.80 O +ATOM 13672 H GLU B 339 151.400 219.886 205.669 1.00 40.61 H +ATOM 13673 HA GLU B 339 152.499 222.196 206.046 1.00 35.60 H +ATOM 13674 HB2 GLU B 339 150.042 221.222 207.025 1.00 41.65 H +ATOM 13675 HB3 GLU B 339 150.495 222.724 207.249 1.00 41.65 H +ATOM 13676 HG2 GLU B 339 150.440 223.052 204.927 1.00 45.68 H +ATOM 13677 HG3 GLU B 339 149.883 221.571 204.760 1.00 45.68 H +ATOM 13678 N THR B 340 152.371 220.397 208.666 1.00 23.46 N +ATOM 13679 CA THR B 340 152.839 220.246 210.038 1.00 29.39 C +ATOM 13680 C THR B 340 154.358 220.258 210.090 1.00 22.98 C +ATOM 13681 O THR B 340 154.955 221.038 210.827 1.00 23.36 O +ATOM 13682 CB THR B 340 152.316 218.940 210.670 1.00 31.55 C +ATOM 13683 OG1 THR B 340 150.893 218.877 210.530 1.00 28.38 O +ATOM 13684 CG2 THR B 340 152.676 218.868 212.148 1.00 27.75 C +ATOM 13685 H THR B 340 151.933 219.719 208.370 1.00 28.15 H +ATOM 13686 HA THR B 340 152.512 220.989 210.569 1.00 35.27 H +ATOM 13687 HB THR B 340 152.718 218.180 210.220 1.00 37.86 H +ATOM 13688 HG1 THR B 340 150.683 218.894 209.717 1.00 34.05 H +ATOM 13689 HG21 THR B 340 152.341 218.043 212.531 1.00 33.30 H +ATOM 13690 HG22 THR B 340 153.639 218.898 212.256 1.00 33.30 H +ATOM 13691 HG23 THR B 340 152.282 219.618 212.621 1.00 33.30 H +ATOM 13692 N ILE B 341 154.978 219.393 209.297 1.00 23.01 N +ATOM 13693 CA ILE B 341 156.431 219.287 209.259 1.00 31.69 C +ATOM 13694 C ILE B 341 157.049 220.623 208.839 1.00 28.92 C +ATOM 13695 O ILE B 341 158.043 221.066 209.414 1.00 25.47 O +ATOM 13696 CB ILE B 341 156.872 218.158 208.301 1.00 27.63 C +ATOM 13697 CG1 ILE B 341 156.355 216.810 208.819 1.00 20.27 C +ATOM 13698 CG2 ILE B 341 158.390 218.129 208.151 1.00 25.01 C +ATOM 13699 CD1 ILE B 341 156.551 215.656 207.863 1.00 26.71 C +ATOM 13700 H ILE B 341 154.575 218.850 208.766 1.00 27.62 H +ATOM 13701 HA ILE B 341 156.756 219.071 210.147 1.00 38.03 H +ATOM 13702 HB ILE B 341 156.480 218.324 207.430 1.00 33.15 H +ATOM 13703 HG12 ILE B 341 156.821 216.594 209.641 1.00 24.33 H +ATOM 13704 HG13 ILE B 341 155.404 216.889 208.994 1.00 24.33 H +ATOM 13705 HG21 ILE B 341 158.634 217.412 207.545 1.00 30.01 H +ATOM 13706 HG22 ILE B 341 158.688 218.980 207.793 1.00 30.01 H +ATOM 13707 HG23 ILE B 341 158.791 217.978 209.022 1.00 30.01 H +ATOM 13708 HD11 ILE B 341 156.198 214.848 208.268 1.00 32.05 H +ATOM 13709 HD12 ILE B 341 156.079 215.847 207.038 1.00 32.05 H +ATOM 13710 HD13 ILE B 341 157.499 215.551 207.686 1.00 32.05 H +ATOM 13711 N LYS B 342 156.443 221.258 207.843 1.00 34.52 N +ATOM 13712 CA LYS B 342 156.865 222.573 207.375 1.00 36.86 C +ATOM 13713 C LYS B 342 156.900 223.600 208.507 1.00 29.97 C +ATOM 13714 O LYS B 342 157.912 224.266 208.723 1.00 25.56 O +ATOM 13715 CB LYS B 342 155.927 223.051 206.264 1.00 33.13 C +ATOM 13716 CG LYS B 342 156.151 224.481 205.792 1.00 37.22 C +ATOM 13717 CD LYS B 342 157.454 224.623 205.038 1.00 43.81 C +ATOM 13718 CE LYS B 342 157.531 225.965 204.330 1.00 38.12 C +ATOM 13719 NZ LYS B 342 158.697 226.040 203.415 1.00 41.73 N +ATOM 13720 H LYS B 342 155.770 220.941 207.412 1.00 41.42 H +ATOM 13721 HA LYS B 342 157.759 222.505 207.004 1.00 44.23 H +ATOM 13722 HB2 LYS B 342 156.039 222.469 205.496 1.00 39.76 H +ATOM 13723 HB3 LYS B 342 155.014 222.990 206.586 1.00 39.76 H +ATOM 13724 HG2 LYS B 342 155.428 224.739 205.200 1.00 44.66 H +ATOM 13725 HG3 LYS B 342 156.181 225.070 206.562 1.00 44.66 H +ATOM 13726 HD2 LYS B 342 158.194 224.563 205.661 1.00 52.57 H +ATOM 13727 HD3 LYS B 342 157.517 223.922 204.370 1.00 52.57 H +ATOM 13728 HE2 LYS B 342 156.726 226.097 203.806 1.00 45.74 H +ATOM 13729 HE3 LYS B 342 157.620 226.670 204.991 1.00 45.74 H +ATOM 13730 HZ1 LYS B 342 158.718 226.834 203.014 1.00 50.08 H +ATOM 13731 HZ2 LYS B 342 159.451 225.926 203.873 1.00 50.08 H +ATOM 13732 HZ3 LYS B 342 158.636 225.404 202.794 1.00 50.08 H +ATOM 13733 N ILE B 343 155.784 223.725 209.216 1.00 29.18 N +ATOM 13734 CA ILE B 343 155.649 224.702 210.291 1.00 25.13 C +ATOM 13735 C ILE B 343 156.599 224.396 211.440 1.00 22.75 C +ATOM 13736 O ILE B 343 157.240 225.298 211.972 1.00 26.33 O +ATOM 13737 CB ILE B 343 154.190 224.754 210.819 1.00 30.79 C +ATOM 13738 CG1 ILE B 343 153.273 225.353 209.751 1.00 29.91 C +ATOM 13739 CG2 ILE B 343 154.092 225.578 212.109 1.00 22.66 C +ATOM 13740 CD1 ILE B 343 151.803 225.277 210.080 1.00 28.83 C +ATOM 13741 H ILE B 343 155.080 223.247 209.092 1.00 35.02 H +ATOM 13742 HA ILE B 343 155.872 225.580 209.945 1.00 30.15 H +ATOM 13743 HB ILE B 343 153.897 223.849 211.007 1.00 36.94 H +ATOM 13744 HG12 ILE B 343 153.501 226.288 209.634 1.00 35.90 H +ATOM 13745 HG13 ILE B 343 153.413 224.875 208.918 1.00 35.90 H +ATOM 13746 HG21 ILE B 343 153.169 225.587 212.408 1.00 27.19 H +ATOM 13747 HG22 ILE B 343 154.655 225.171 212.787 1.00 27.19 H +ATOM 13748 HG23 ILE B 343 154.391 226.483 211.929 1.00 27.19 H +ATOM 13749 HD11 ILE B 343 151.297 225.676 209.355 1.00 34.60 H +ATOM 13750 HD12 ILE B 343 151.552 224.347 210.187 1.00 34.60 H +ATOM 13751 HD13 ILE B 343 151.640 225.762 210.904 1.00 34.60 H +ATOM 13752 N VAL B 344 156.679 223.127 211.824 1.00 30.58 N +ATOM 13753 CA VAL B 344 157.529 222.725 212.939 1.00 27.39 C +ATOM 13754 C VAL B 344 158.990 223.084 212.669 1.00 22.81 C +ATOM 13755 O VAL B 344 159.663 223.650 213.525 1.00 19.69 O +ATOM 13756 CB VAL B 344 157.406 221.214 213.224 1.00 28.63 C +ATOM 13757 CG1 VAL B 344 158.541 220.720 214.131 1.00 23.53 C +ATOM 13758 CG2 VAL B 344 156.058 220.917 213.860 1.00 27.22 C +ATOM 13759 H VAL B 344 156.252 222.479 211.455 1.00 36.70 H +ATOM 13760 HA VAL B 344 157.248 223.202 213.735 1.00 32.87 H +ATOM 13761 HB VAL B 344 157.457 220.728 212.386 1.00 34.35 H +ATOM 13762 HG11 VAL B 344 158.429 219.770 214.287 1.00 28.23 H +ATOM 13763 HG12 VAL B 344 159.390 220.887 213.692 1.00 28.23 H +ATOM 13764 HG13 VAL B 344 158.503 221.201 214.973 1.00 28.23 H +ATOM 13765 HG21 VAL B 344 155.994 219.965 214.033 1.00 32.67 H +ATOM 13766 HG22 VAL B 344 155.986 221.410 214.692 1.00 32.67 H +ATOM 13767 HG23 VAL B 344 155.354 221.190 213.250 1.00 32.67 H +ATOM 13768 N ILE B 345 159.483 222.756 211.481 1.00 20.51 N +ATOM 13769 CA ILE B 345 160.872 223.050 211.149 1.00 29.40 C +ATOM 13770 C ILE B 345 161.114 224.558 211.045 1.00 29.27 C +ATOM 13771 O ILE B 345 162.027 225.083 211.678 1.00 35.73 O +ATOM 13772 CB ILE B 345 161.294 222.359 209.829 1.00 25.76 C +ATOM 13773 CG1 ILE B 345 161.369 220.842 210.042 1.00 27.74 C +ATOM 13774 CG2 ILE B 345 162.648 222.891 209.335 1.00 26.90 C +ATOM 13775 CD1 ILE B 345 161.707 220.043 208.798 1.00 30.54 C +ATOM 13776 H ILE B 345 159.040 222.367 210.855 1.00 24.61 H +ATOM 13777 HA ILE B 345 161.440 222.707 211.857 1.00 35.28 H +ATOM 13778 HB ILE B 345 160.623 222.544 209.154 1.00 30.91 H +ATOM 13779 HG12 ILE B 345 162.052 220.656 210.705 1.00 33.29 H +ATOM 13780 HG13 ILE B 345 160.508 220.532 210.365 1.00 33.29 H +ATOM 13781 HG21 ILE B 345 162.882 222.439 208.509 1.00 32.29 H +ATOM 13782 HG22 ILE B 345 162.574 223.846 209.181 1.00 32.29 H +ATOM 13783 HG23 ILE B 345 163.321 222.716 210.011 1.00 32.29 H +ATOM 13784 HD11 ILE B 345 161.733 219.100 209.026 1.00 36.65 H +ATOM 13785 HD12 ILE B 345 161.027 220.203 208.125 1.00 36.65 H +ATOM 13786 HD13 ILE B 345 162.574 220.327 208.467 1.00 36.65 H +ATOM 13787 N GLU B 346 160.289 225.256 210.271 1.00 28.39 N +ATOM 13788 CA GLU B 346 160.606 226.633 209.882 1.00 35.74 C +ATOM 13789 C GLU B 346 160.005 227.729 210.765 1.00 26.54 C +ATOM 13790 O GLU B 346 160.306 228.901 210.568 1.00 32.07 O +ATOM 13791 CB GLU B 346 160.180 226.861 208.435 1.00 24.21 C +ATOM 13792 CG GLU B 346 161.015 226.061 207.440 1.00 34.42 C +ATOM 13793 CD GLU B 346 160.746 226.433 205.997 1.00 36.12 C +ATOM 13794 OE1 GLU B 346 160.101 227.475 205.755 1.00 44.49 O +ATOM 13795 OE2 GLU B 346 161.182 225.678 205.103 1.00 33.09 O +ATOM 13796 H GLU B 346 159.544 224.962 209.959 1.00 34.06 H +ATOM 13797 HA GLU B 346 161.570 226.738 209.917 1.00 42.88 H +ATOM 13798 HB2 GLU B 346 159.253 226.593 208.332 1.00 29.05 H +ATOM 13799 HB3 GLU B 346 160.279 227.802 208.221 1.00 29.05 H +ATOM 13800 HG2 GLU B 346 161.955 226.222 207.619 1.00 41.31 H +ATOM 13801 HG3 GLU B 346 160.815 225.119 207.548 1.00 41.31 H +ATOM 13802 N ASP B 347 159.178 227.360 211.737 1.00 29.64 N +ATOM 13803 CA ASP B 347 158.646 228.328 212.700 1.00 31.52 C +ATOM 13804 C ASP B 347 158.924 227.899 214.133 1.00 27.70 C +ATOM 13805 O ASP B 347 159.466 228.666 214.926 1.00 33.76 O +ATOM 13806 CB ASP B 347 157.140 228.522 212.508 1.00 42.72 C +ATOM 13807 CG ASP B 347 156.806 229.282 211.241 1.00 33.16 C +ATOM 13808 OD1 ASP B 347 157.467 230.304 210.965 1.00 43.53 O +ATOM 13809 OD2 ASP B 347 155.886 228.853 210.520 1.00 42.38 O +ATOM 13810 H ASP B 347 158.906 226.554 211.864 1.00 35.57 H +ATOM 13811 HA ASP B 347 159.079 229.185 212.556 1.00 37.83 H +ATOM 13812 HB2 ASP B 347 156.713 227.653 212.457 1.00 51.27 H +ATOM 13813 HB3 ASP B 347 156.787 229.022 213.260 1.00 51.27 H +ATOM 13814 N TYR B 348 158.545 226.668 214.455 1.00 29.32 N +ATOM 13815 CA TYR B 348 158.658 226.147 215.811 1.00 28.39 C +ATOM 13816 C TYR B 348 160.115 225.914 216.222 1.00 27.93 C +ATOM 13817 O TYR B 348 160.592 226.509 217.188 1.00 25.87 O +ATOM 13818 CB TYR B 348 157.850 224.853 215.922 1.00 26.80 C +ATOM 13819 CG TYR B 348 157.890 224.173 217.265 1.00 22.57 C +ATOM 13820 CD1 TYR B 348 157.086 224.601 218.307 1.00 25.12 C +ATOM 13821 CD2 TYR B 348 158.713 223.078 217.481 1.00 28.77 C +ATOM 13822 CE1 TYR B 348 157.110 223.967 219.532 1.00 35.04 C +ATOM 13823 CE2 TYR B 348 158.745 222.439 218.702 1.00 29.95 C +ATOM 13824 CZ TYR B 348 157.942 222.888 219.724 1.00 35.64 C +ATOM 13825 OH TYR B 348 157.972 222.256 220.940 1.00 36.88 O +ATOM 13826 H TYR B 348 158.214 226.105 213.895 1.00 35.19 H +ATOM 13827 HA TYR B 348 158.275 226.791 216.427 1.00 34.07 H +ATOM 13828 HB2 TYR B 348 156.922 225.054 215.726 1.00 32.16 H +ATOM 13829 HB3 TYR B 348 158.190 224.223 215.268 1.00 32.16 H +ATOM 13830 HD1 TYR B 348 156.522 225.330 218.180 1.00 30.15 H +ATOM 13831 HD2 TYR B 348 159.256 222.773 216.792 1.00 34.53 H +ATOM 13832 HE1 TYR B 348 156.569 224.270 220.226 1.00 42.05 H +ATOM 13833 HE2 TYR B 348 159.307 221.709 218.833 1.00 35.94 H +ATOM 13834 HH TYR B 348 158.519 221.618 220.919 1.00 44.26 H +ATOM 13835 N VAL B 349 160.823 225.055 215.491 1.00 28.80 N +ATOM 13836 CA VAL B 349 162.230 224.793 215.781 1.00 30.79 C +ATOM 13837 C VAL B 349 163.062 226.043 215.528 1.00 28.88 C +ATOM 13838 O VAL B 349 164.019 226.312 216.252 1.00 22.22 O +ATOM 13839 CB VAL B 349 162.789 223.624 214.939 1.00 37.82 C +ATOM 13840 CG1 VAL B 349 164.297 223.443 215.177 1.00 27.19 C +ATOM 13841 CG2 VAL B 349 162.053 222.337 215.274 1.00 26.82 C +ATOM 13842 H VAL B 349 160.512 224.611 214.823 1.00 34.56 H +ATOM 13843 HA VAL B 349 162.320 224.557 216.718 1.00 36.95 H +ATOM 13844 HB VAL B 349 162.652 223.815 213.998 1.00 45.38 H +ATOM 13845 HG11 VAL B 349 164.615 222.704 214.636 1.00 32.63 H +ATOM 13846 HG12 VAL B 349 164.756 224.260 214.925 1.00 32.63 H +ATOM 13847 HG13 VAL B 349 164.448 223.255 216.117 1.00 32.63 H +ATOM 13848 HG21 VAL B 349 162.417 221.616 214.737 1.00 32.19 H +ATOM 13849 HG22 VAL B 349 162.173 222.141 216.216 1.00 32.19 H +ATOM 13850 HG23 VAL B 349 161.110 222.453 215.077 1.00 32.19 H +ATOM 13851 N GLN B 350 162.697 226.799 214.497 1.00 36.36 N +ATOM 13852 CA GLN B 350 163.385 228.047 214.183 1.00 26.93 C +ATOM 13853 C GLN B 350 163.389 228.968 215.391 1.00 31.56 C +ATOM 13854 O GLN B 350 164.437 229.460 215.804 1.00 35.53 O +ATOM 13855 CB GLN B 350 162.727 228.751 212.999 1.00 29.35 C +ATOM 13856 CG GLN B 350 163.413 230.048 212.589 1.00 24.56 C +ATOM 13857 CD GLN B 350 164.807 229.819 212.046 1.00 21.35 C +ATOM 13858 OE1 GLN B 350 165.002 229.033 211.121 1.00 26.66 O +ATOM 13859 NE2 GLN B 350 165.785 230.497 212.625 1.00 22.21 N +ATOM 13860 H GLN B 350 162.051 226.611 213.962 1.00 43.64 H +ATOM 13861 HA GLN B 350 164.305 227.852 213.947 1.00 32.31 H +ATOM 13862 HB2 GLN B 350 162.741 228.155 212.234 1.00 35.22 H +ATOM 13863 HB3 GLN B 350 161.809 228.963 213.232 1.00 35.22 H +ATOM 13864 HG2 GLN B 350 162.888 230.479 211.897 1.00 29.47 H +ATOM 13865 HG3 GLN B 350 163.483 230.627 213.363 1.00 29.47 H +ATOM 13866 HE21 GLN B 350 165.611 231.033 213.275 1.00 26.65 H +ATOM 13867 HE22 GLN B 350 166.595 230.401 212.352 1.00 26.65 H +ATOM 13868 N HIS B 351 162.208 229.210 215.949 1.00 28.52 N +ATOM 13869 CA HIS B 351 162.099 230.021 217.152 1.00 32.96 C +ATOM 13870 C HIS B 351 162.843 229.361 218.295 1.00 24.25 C +ATOM 13871 O HIS B 351 163.563 230.007 219.052 1.00 32.28 O +ATOM 13872 CB HIS B 351 160.641 230.224 217.557 1.00 24.71 C +ATOM 13873 CG HIS B 351 160.481 230.661 218.977 1.00 25.82 C +ATOM 13874 ND1 HIS B 351 160.672 231.965 219.379 1.00 26.04 N +ATOM 13875 CD2 HIS B 351 160.186 229.961 220.097 1.00 28.37 C +ATOM 13876 CE1 HIS B 351 160.483 232.053 220.683 1.00 28.24 C +ATOM 13877 NE2 HIS B 351 160.187 230.851 221.142 1.00 33.49 N +ATOM 13878 H HIS B 351 161.457 228.916 215.650 1.00 34.23 H +ATOM 13879 HA HIS B 351 162.496 230.892 216.990 1.00 39.56 H +ATOM 13880 HB2 HIS B 351 160.249 230.904 216.988 1.00 29.65 H +ATOM 13881 HB3 HIS B 351 160.165 229.386 217.447 1.00 29.65 H +ATOM 13882 HD2 HIS B 351 160.007 229.050 220.147 1.00 34.05 H +ATOM 13883 HE1 HIS B 351 160.547 232.829 221.191 1.00 33.88 H +ATOM 13884 HE2 HIS B 351 160.021 230.657 221.963 1.00 40.18 H +ATOM 13885 N LEU B 352 162.645 228.058 218.410 1.00 31.52 N +ATOM 13886 CA LEU B 352 163.194 227.284 219.507 1.00 32.67 C +ATOM 13887 C LEU B 352 164.721 227.331 219.558 1.00 34.13 C +ATOM 13888 O LEU B 352 165.312 227.441 220.630 1.00 33.67 O +ATOM 13889 CB LEU B 352 162.721 225.838 219.383 1.00 32.18 C +ATOM 13890 CG LEU B 352 163.063 224.903 220.531 1.00 31.40 C +ATOM 13891 CD1 LEU B 352 162.584 225.505 221.830 1.00 48.97 C +ATOM 13892 CD2 LEU B 352 162.415 223.555 220.281 1.00 39.37 C +ATOM 13893 H LEU B 352 162.186 227.591 217.854 1.00 37.83 H +ATOM 13894 HA LEU B 352 162.856 227.640 220.344 1.00 39.21 H +ATOM 13895 HB2 LEU B 352 161.755 225.843 219.296 1.00 38.62 H +ATOM 13896 HB3 LEU B 352 163.113 225.460 218.580 1.00 38.62 H +ATOM 13897 HG LEU B 352 164.024 224.782 220.579 1.00 37.67 H +ATOM 13898 HD11 LEU B 352 162.806 224.902 222.557 1.00 58.77 H +ATOM 13899 HD12 LEU B 352 163.024 226.359 221.963 1.00 58.77 H +ATOM 13900 HD13 LEU B 352 161.623 225.629 221.785 1.00 58.77 H +ATOM 13901 HD21 LEU B 352 162.633 222.959 221.015 1.00 47.25 H +ATOM 13902 HD22 LEU B 352 161.453 223.672 220.226 1.00 47.25 H +ATOM 13903 HD23 LEU B 352 162.753 223.192 219.448 1.00 47.25 H +ATOM 13904 N SER B 353 165.350 227.241 218.391 1.00 33.60 N +ATOM 13905 CA SER B 353 166.802 227.171 218.295 1.00 31.27 C +ATOM 13906 C SER B 353 167.473 228.489 218.659 1.00 39.43 C +ATOM 13907 O SER B 353 168.561 228.503 219.234 1.00 31.52 O +ATOM 13908 CB SER B 353 167.211 226.772 216.878 1.00 33.96 C +ATOM 13909 OG SER B 353 167.014 227.852 215.976 1.00 27.16 O +ATOM 13910 H SER B 353 164.951 227.219 217.629 1.00 40.32 H +ATOM 13911 HA SER B 353 167.127 226.490 218.905 1.00 37.52 H +ATOM 13912 HB2 SER B 353 168.150 226.527 216.878 1.00 40.75 H +ATOM 13913 HB3 SER B 353 166.671 226.019 216.593 1.00 40.75 H +ATOM 13914 HG SER B 353 166.204 228.075 215.968 1.00 32.59 H +ATOM 13915 N GLY B 354 166.821 229.594 218.312 1.00 34.24 N +ATOM 13916 CA GLY B 354 167.397 230.912 218.504 1.00 34.63 C +ATOM 13917 C GLY B 354 168.347 231.280 217.379 1.00 26.91 C +ATOM 13918 O GLY B 354 168.976 232.334 217.406 1.00 30.24 O +ATOM 13919 H GLY B 354 166.036 229.603 217.961 1.00 41.09 H +ATOM 13920 HA2 GLY B 354 166.689 231.574 218.540 1.00 41.55 H +ATOM 13921 HA3 GLY B 354 167.885 230.935 219.341 1.00 41.55 H +ATOM 13922 N TYR B 355 168.445 230.407 216.383 1.00 33.50 N +ATOM 13923 CA TYR B 355 169.397 230.582 215.291 1.00 37.74 C +ATOM 13924 C TYR B 355 169.032 231.746 214.374 1.00 36.82 C +ATOM 13925 O TYR B 355 167.853 232.025 214.152 1.00 34.22 O +ATOM 13926 CB TYR B 355 169.487 229.302 214.454 1.00 37.64 C +ATOM 13927 CG TYR B 355 169.993 228.078 215.188 1.00 40.35 C +ATOM 13928 CD1 TYR B 355 170.617 228.180 216.424 1.00 37.31 C +ATOM 13929 CD2 TYR B 355 169.853 226.815 214.631 1.00 35.44 C +ATOM 13930 CE1 TYR B 355 171.082 227.056 217.084 1.00 40.55 C +ATOM 13931 CE2 TYR B 355 170.314 225.691 215.282 1.00 38.83 C +ATOM 13932 CZ TYR B 355 170.927 225.815 216.507 1.00 41.43 C +ATOM 13933 OH TYR B 355 171.385 224.688 217.152 1.00 47.93 O +ATOM 13934 H TYR B 355 167.966 229.696 216.316 1.00 40.20 H +ATOM 13935 HA TYR B 355 170.275 230.759 215.664 1.00 45.28 H +ATOM 13936 HB2 TYR B 355 168.602 229.093 214.116 1.00 45.17 H +ATOM 13937 HB3 TYR B 355 170.088 229.464 213.710 1.00 45.17 H +ATOM 13938 HD1 TYR B 355 170.723 229.017 216.815 1.00 44.77 H +ATOM 13939 HD2 TYR B 355 169.440 226.726 213.803 1.00 42.52 H +ATOM 13940 HE1 TYR B 355 171.497 227.138 217.913 1.00 48.66 H +ATOM 13941 HE2 TYR B 355 170.210 224.852 214.895 1.00 46.59 H +ATOM 13942 HH TYR B 355 171.737 224.900 217.885 1.00 57.51 H +ATOM 13943 N HIS B 356 170.053 232.414 213.842 1.00 37.03 N +ATOM 13944 CA HIS B 356 169.866 233.413 212.792 1.00 28.10 C +ATOM 13945 C HIS B 356 169.871 232.737 211.427 1.00 27.75 C +ATOM 13946 O HIS B 356 169.323 233.265 210.461 1.00 30.88 O +ATOM 13947 CB HIS B 356 170.956 234.483 212.841 1.00 33.83 C +ATOM 13948 CG HIS B 356 170.939 235.308 214.087 1.00 30.68 C +ATOM 13949 ND1 HIS B 356 169.813 235.969 214.528 1.00 31.21 N +ATOM 13950 CD2 HIS B 356 171.914 235.585 214.984 1.00 40.45 C +ATOM 13951 CE1 HIS B 356 170.094 236.613 215.646 1.00 33.42 C +ATOM 13952 NE2 HIS B 356 171.363 236.398 215.944 1.00 37.67 N +ATOM 13953 H HIS B 356 170.874 232.305 214.074 1.00 44.43 H +ATOM 13954 HA HIS B 356 169.008 233.848 212.913 1.00 33.72 H +ATOM 13955 HB2 HIS B 356 171.822 234.049 212.785 1.00 40.59 H +ATOM 13956 HB3 HIS B 356 170.840 235.082 212.087 1.00 40.59 H +ATOM 13957 HD2 HIS B 356 172.793 235.281 214.957 1.00 48.54 H +ATOM 13958 HE1 HIS B 356 169.500 237.132 216.138 1.00 40.10 H +ATOM 13959 HE2 HIS B 356 171.776 236.715 216.628 1.00 45.20 H +ATOM 13960 N PHE B 357 170.513 231.575 211.346 1.00 33.61 N +ATOM 13961 CA PHE B 357 170.430 230.751 210.149 1.00 28.34 C +ATOM 13962 C PHE B 357 168.991 230.295 209.969 1.00 30.48 C +ATOM 13963 O PHE B 357 168.351 229.853 210.920 1.00 31.47 O +ATOM 13964 CB PHE B 357 171.364 229.544 210.235 1.00 27.02 C +ATOM 13965 CG PHE B 357 171.123 228.521 209.162 1.00 29.44 C +ATOM 13966 CD1 PHE B 357 171.586 228.726 207.874 1.00 34.56 C +ATOM 13967 CD2 PHE B 357 170.425 227.359 209.441 1.00 34.08 C +ATOM 13968 CE1 PHE B 357 171.361 227.789 206.886 1.00 35.25 C +ATOM 13969 CE2 PHE B 357 170.197 226.418 208.454 1.00 29.32 C +ATOM 13970 CZ PHE B 357 170.666 226.634 207.176 1.00 35.09 C +ATOM 13971 H PHE B 357 171.003 231.244 211.970 1.00 40.34 H +ATOM 13972 HA PHE B 357 170.683 231.280 209.376 1.00 34.00 H +ATOM 13973 HB2 PHE B 357 172.281 229.850 210.153 1.00 32.42 H +ATOM 13974 HB3 PHE B 357 171.237 229.110 211.093 1.00 32.42 H +ATOM 13975 HD1 PHE B 357 172.055 229.503 207.673 1.00 41.47 H +ATOM 13976 HD2 PHE B 357 170.107 227.210 210.301 1.00 40.90 H +ATOM 13977 HE1 PHE B 357 171.678 227.936 206.024 1.00 42.30 H +ATOM 13978 HE2 PHE B 357 169.728 225.640 208.653 1.00 35.18 H +ATOM 13979 HZ PHE B 357 170.514 226.002 206.511 1.00 42.10 H +ATOM 13980 N LYS B 358 168.486 230.408 208.747 1.00 35.18 N +ATOM 13981 CA LYS B 358 167.089 230.108 208.468 1.00 41.53 C +ATOM 13982 C LYS B 358 166.901 228.636 208.117 1.00 38.02 C +ATOM 13983 O LYS B 358 167.311 228.184 207.048 1.00 32.48 O +ATOM 13984 CB LYS B 358 166.582 230.995 207.333 1.00 46.50 C +ATOM 13985 CG LYS B 358 165.082 230.965 207.134 1.00 55.66 C +ATOM 13986 CD LYS B 358 164.666 231.972 206.077 1.00 65.00 C +ATOM 13987 CE LYS B 358 163.173 231.936 205.809 1.00 70.12 C +ATOM 13988 NZ LYS B 358 162.793 232.914 204.753 1.00 91.20 N +ATOM 13989 H LYS B 358 168.936 230.657 208.058 1.00 42.21 H +ATOM 13990 HA LYS B 358 166.560 230.299 209.258 1.00 49.84 H +ATOM 13991 HB2 LYS B 358 166.835 231.913 207.519 1.00 55.80 H +ATOM 13992 HB3 LYS B 358 166.994 230.705 206.504 1.00 55.80 H +ATOM 13993 HG2 LYS B 358 164.812 230.081 206.839 1.00 66.80 H +ATOM 13994 HG3 LYS B 358 164.640 231.194 207.967 1.00 66.80 H +ATOM 13995 HD2 LYS B 358 164.897 232.865 206.379 1.00 78.01 H +ATOM 13996 HD3 LYS B 358 165.127 231.771 205.247 1.00 78.01 H +ATOM 13997 HE2 LYS B 358 162.923 231.048 205.507 1.00 84.14 H +ATOM 13998 HE3 LYS B 358 162.695 232.163 206.622 1.00 84.14 H +ATOM 13999 HZ1 LYS B 358 161.916 232.879 204.609 1.00109.43 H +ATOM 14000 HZ2 LYS B 358 163.012 233.737 205.009 1.00109.43 H +ATOM 14001 HZ3 LYS B 358 163.219 232.723 203.995 1.00109.43 H +ATOM 14002 N LEU B 359 166.282 227.894 209.028 1.00 28.34 N +ATOM 14003 CA LEU B 359 166.029 226.477 208.811 1.00 34.24 C +ATOM 14004 C LEU B 359 165.094 226.281 207.622 1.00 29.50 C +ATOM 14005 O LEU B 359 164.290 227.154 207.302 1.00 35.03 O +ATOM 14006 CB LEU B 359 165.439 225.840 210.071 1.00 29.39 C +ATOM 14007 CG LEU B 359 166.323 225.933 211.319 1.00 32.65 C +ATOM 14008 CD1 LEU B 359 165.585 225.416 212.549 1.00 27.77 C +ATOM 14009 CD2 LEU B 359 167.624 225.175 211.123 1.00 25.95 C +ATOM 14010 H LEU B 359 165.998 228.190 209.784 1.00 34.01 H +ATOM 14011 HA LEU B 359 166.867 226.032 208.612 1.00 41.09 H +ATOM 14012 HB2 LEU B 359 164.599 226.279 210.274 1.00 35.27 H +ATOM 14013 HB3 LEU B 359 165.280 224.899 209.895 1.00 35.27 H +ATOM 14014 HG LEU B 359 166.544 226.864 211.477 1.00 39.17 H +ATOM 14015 HD11 LEU B 359 166.169 225.488 213.320 1.00 33.32 H +ATOM 14016 HD12 LEU B 359 164.787 225.950 212.686 1.00 33.32 H +ATOM 14017 HD13 LEU B 359 165.341 224.488 212.404 1.00 33.32 H +ATOM 14018 HD21 LEU B 359 168.159 225.253 211.928 1.00 31.15 H +ATOM 14019 HD22 LEU B 359 167.422 224.242 210.948 1.00 31.15 H +ATOM 14020 HD23 LEU B 359 168.101 225.557 210.370 1.00 31.15 H +ATOM 14021 N LYS B 360 165.214 225.130 206.973 1.00 31.49 N +ATOM 14022 CA LYS B 360 164.463 224.849 205.758 1.00 37.03 C +ATOM 14023 C LYS B 360 163.902 223.433 205.766 1.00 40.30 C +ATOM 14024 O LYS B 360 164.632 222.471 206.007 1.00 36.01 O +ATOM 14025 CB LYS B 360 165.358 225.045 204.532 1.00 32.87 C +ATOM 14026 CG LYS B 360 164.646 224.877 203.202 1.00 34.45 C +ATOM 14027 CD LYS B 360 165.577 225.188 202.037 1.00 43.20 C +ATOM 14028 CE LYS B 360 164.834 225.199 200.712 1.00 47.40 C +ATOM 14029 NZ LYS B 360 165.681 224.707 199.593 1.00 45.32 N +ATOM 14030 H LYS B 360 165.730 224.488 207.220 1.00 37.79 H +ATOM 14031 HA LYS B 360 163.720 225.468 205.693 1.00 44.44 H +ATOM 14032 HB2 LYS B 360 165.727 225.942 204.557 1.00 39.44 H +ATOM 14033 HB3 LYS B 360 166.077 224.395 204.565 1.00 39.44 H +ATOM 14034 HG2 LYS B 360 164.342 223.960 203.114 1.00 41.34 H +ATOM 14035 HG3 LYS B 360 163.892 225.486 203.162 1.00 41.34 H +ATOM 14036 HD2 LYS B 360 165.973 226.064 202.170 1.00 51.84 H +ATOM 14037 HD3 LYS B 360 166.269 224.510 201.991 1.00 51.84 H +ATOM 14038 HE2 LYS B 360 164.056 224.624 200.778 1.00 56.88 H +ATOM 14039 HE3 LYS B 360 164.561 226.107 200.507 1.00 56.88 H +ATOM 14040 HZ1 LYS B 360 165.219 224.725 198.832 1.00 54.38 H +ATOM 14041 HZ2 LYS B 360 166.401 225.223 199.507 1.00 54.38 H +ATOM 14042 HZ3 LYS B 360 165.941 223.871 199.753 1.00 54.38 H +ATOM 14043 N PHE B 361 162.602 223.317 205.513 1.00 32.53 N +ATOM 14044 CA PHE B 361 161.997 222.022 205.250 1.00 27.93 C +ATOM 14045 C PHE B 361 162.072 221.733 203.759 1.00 29.88 C +ATOM 14046 O PHE B 361 161.330 222.313 202.965 1.00 29.10 O +ATOM 14047 CB PHE B 361 160.543 221.970 205.722 1.00 30.27 C +ATOM 14048 CG PHE B 361 159.822 220.723 205.290 1.00 29.31 C +ATOM 14049 CD1 PHE B 361 160.364 219.475 205.549 1.00 24.19 C +ATOM 14050 CD2 PHE B 361 158.615 220.797 204.621 1.00 25.72 C +ATOM 14051 CE1 PHE B 361 159.716 218.328 205.152 1.00 22.74 C +ATOM 14052 CE2 PHE B 361 157.961 219.650 204.223 1.00 28.93 C +ATOM 14053 CZ PHE B 361 158.514 218.412 204.491 1.00 28.63 C +ATOM 14054 H PHE B 361 162.050 223.976 205.489 1.00 39.04 H +ATOM 14055 HA PHE B 361 162.495 221.334 205.719 1.00 33.51 H +ATOM 14056 HB2 PHE B 361 160.526 222.004 206.691 1.00 36.33 H +ATOM 14057 HB3 PHE B 361 160.067 222.731 205.356 1.00 36.33 H +ATOM 14058 HD1 PHE B 361 161.177 219.411 205.996 1.00 29.03 H +ATOM 14059 HD2 PHE B 361 158.239 221.628 204.439 1.00 30.86 H +ATOM 14060 HE1 PHE B 361 160.089 217.496 205.334 1.00 27.29 H +ATOM 14061 HE2 PHE B 361 157.148 219.709 203.775 1.00 34.72 H +ATOM 14062 HZ PHE B 361 158.074 217.638 204.223 1.00 34.36 H +ATOM 14063 N ASP B 362 162.979 220.837 203.387 1.00 34.75 N +ATOM 14064 CA ASP B 362 163.171 220.469 201.994 1.00 36.57 C +ATOM 14065 C ASP B 362 163.691 219.035 201.904 1.00 30.66 C +ATOM 14066 O ASP B 362 164.889 218.795 202.046 1.00 25.53 O +ATOM 14067 CB ASP B 362 164.134 221.439 201.311 1.00 33.13 C +ATOM 14068 CG ASP B 362 164.322 221.134 199.838 1.00 41.32 C +ATOM 14069 OD1 ASP B 362 163.481 220.407 199.267 1.00 43.87 O +ATOM 14070 OD2 ASP B 362 165.307 221.625 199.248 1.00 39.68 O +ATOM 14071 H ASP B 362 163.501 220.424 203.931 1.00 41.70 H +ATOM 14072 HA ASP B 362 162.319 220.512 201.532 1.00 43.88 H +ATOM 14073 HB2 ASP B 362 163.784 222.341 201.388 1.00 39.75 H +ATOM 14074 HB3 ASP B 362 165.001 221.381 201.743 1.00 39.75 H +ATOM 14075 N PRO B 363 162.783 218.071 201.693 1.00 31.42 N +ATOM 14076 CA PRO B 363 163.159 216.657 201.568 1.00 32.33 C +ATOM 14077 C PRO B 363 164.224 216.383 200.508 1.00 30.18 C +ATOM 14078 O PRO B 363 164.932 215.383 200.606 1.00 31.66 O +ATOM 14079 CB PRO B 363 161.835 215.990 201.193 1.00 29.15 C +ATOM 14080 CG PRO B 363 160.812 216.830 201.867 1.00 29.25 C +ATOM 14081 CD PRO B 363 161.318 218.238 201.749 1.00 29.23 C +ATOM 14082 HA PRO B 363 163.461 216.312 202.423 1.00 38.79 H +ATOM 14083 HB2 PRO B 363 161.717 216.006 200.231 1.00 34.98 H +ATOM 14084 HB3 PRO B 363 161.815 215.081 201.532 1.00 34.98 H +ATOM 14085 HG2 PRO B 363 159.960 216.733 201.413 1.00 35.10 H +ATOM 14086 HG3 PRO B 363 160.737 216.569 202.798 1.00 35.10 H +ATOM 14087 HD2 PRO B 363 160.993 218.647 200.932 1.00 35.08 H +ATOM 14088 HD3 PRO B 363 161.067 218.754 202.530 1.00 35.08 H +ATOM 14089 N GLU B 364 164.342 217.257 199.513 1.00 42.14 N +ATOM 14090 CA GLU B 364 165.316 217.058 198.443 1.00 43.73 C +ATOM 14091 C GLU B 364 166.755 217.175 198.941 1.00 32.85 C +ATOM 14092 O GLU B 364 167.674 216.651 198.316 1.00 30.62 O +ATOM 14093 CB GLU B 364 165.073 218.054 197.310 1.00 64.15 C +ATOM 14094 CG GLU B 364 163.912 217.677 196.406 1.00 72.64 C +ATOM 14095 CD GLU B 364 163.589 218.749 195.385 1.00 72.42 C +ATOM 14096 OE1 GLU B 364 164.533 219.368 194.854 1.00 75.40 O +ATOM 14097 OE2 GLU B 364 162.389 218.975 195.117 1.00 68.63 O +ATOM 14098 H GLU B 364 163.871 217.972 199.434 1.00 50.56 H +ATOM 14099 HA GLU B 364 165.201 216.165 198.081 1.00 52.48 H +ATOM 14100 HB2 GLU B 364 164.880 218.924 197.694 1.00 76.98 H +ATOM 14101 HB3 GLU B 364 165.871 218.106 196.762 1.00 76.98 H +ATOM 14102 HG2 GLU B 364 164.136 216.864 195.926 1.00 87.17 H +ATOM 14103 HG3 GLU B 364 163.122 217.534 196.950 1.00 87.17 H +ATOM 14104 N LEU B 365 166.948 217.856 200.066 1.00 22.68 N +ATOM 14105 CA LEU B 365 168.273 217.976 200.669 1.00 31.31 C +ATOM 14106 C LEU B 365 168.887 216.608 200.976 1.00 36.71 C +ATOM 14107 O LEU B 365 170.107 216.469 201.014 1.00 37.83 O +ATOM 14108 CB LEU B 365 168.209 218.801 201.957 1.00 32.46 C +ATOM 14109 CG LEU B 365 167.687 220.238 201.860 1.00 37.14 C +ATOM 14110 CD1 LEU B 365 167.633 220.868 203.246 1.00 34.17 C +ATOM 14111 CD2 LEU B 365 168.536 221.079 200.925 1.00 36.26 C +ATOM 14112 H LEU B 365 166.327 218.260 200.502 1.00 27.22 H +ATOM 14113 HA LEU B 365 168.861 218.434 200.048 1.00 37.57 H +ATOM 14114 HB2 LEU B 365 167.633 218.334 202.583 1.00 38.95 H +ATOM 14115 HB3 LEU B 365 169.104 218.850 202.326 1.00 38.95 H +ATOM 14116 HG LEU B 365 166.784 220.220 201.506 1.00 44.57 H +ATOM 14117 HD11 LEU B 365 167.301 221.776 203.167 1.00 41.00 H +ATOM 14118 HD12 LEU B 365 167.037 220.346 203.806 1.00 41.00 H +ATOM 14119 HD13 LEU B 365 168.525 220.873 203.625 1.00 41.00 H +ATOM 14120 HD21 LEU B 365 168.173 221.978 200.892 1.00 43.51 H +ATOM 14121 HD22 LEU B 365 169.446 221.101 201.259 1.00 43.51 H +ATOM 14122 HD23 LEU B 365 168.518 220.682 200.040 1.00 43.51 H +ATOM 14123 N LEU B 366 168.039 215.604 201.191 1.00 38.49 N +ATOM 14124 CA LEU B 366 168.487 214.291 201.654 1.00 30.43 C +ATOM 14125 C LEU B 366 168.490 213.210 200.573 1.00 29.44 C +ATOM 14126 O LEU B 366 168.900 212.082 200.829 1.00 34.67 O +ATOM 14127 CB LEU B 366 167.605 213.819 202.815 1.00 29.08 C +ATOM 14128 CG LEU B 366 167.662 214.613 204.120 1.00 34.44 C +ATOM 14129 CD1 LEU B 366 166.674 214.033 205.123 1.00 29.59 C +ATOM 14130 CD2 LEU B 366 169.070 214.617 204.696 1.00 28.03 C +ATOM 14131 H LEU B 366 167.188 215.659 201.073 1.00 46.18 H +ATOM 14132 HA LEU B 366 169.394 214.374 201.988 1.00 36.52 H +ATOM 14133 HB2 LEU B 366 166.683 213.834 202.514 1.00 34.90 H +ATOM 14134 HB3 LEU B 366 167.855 212.906 203.027 1.00 34.90 H +ATOM 14135 HG LEU B 366 167.407 215.532 203.944 1.00 41.32 H +ATOM 14136 HD11 LEU B 366 166.721 214.546 205.945 1.00 35.51 H +ATOM 14137 HD12 LEU B 366 165.780 214.086 204.750 1.00 35.51 H +ATOM 14138 HD13 LEU B 366 166.907 213.108 205.296 1.00 35.51 H +ATOM 14139 HD21 LEU B 366 169.071 215.127 205.521 1.00 33.64 H +ATOM 14140 HD22 LEU B 366 169.341 213.702 204.872 1.00 33.64 H +ATOM 14141 HD23 LEU B 366 169.672 215.024 204.054 1.00 33.64 H +ATOM 14142 N PHE B 367 168.036 213.545 199.372 1.00 32.87 N +ATOM 14143 CA PHE B 367 167.867 212.540 198.323 1.00 36.44 C +ATOM 14144 C PHE B 367 169.186 211.919 197.844 1.00 38.37 C +ATOM 14145 O PHE B 367 169.190 210.797 197.341 1.00 39.75 O +ATOM 14146 CB PHE B 367 167.121 213.142 197.129 1.00 31.16 C +ATOM 14147 CG PHE B 367 165.636 213.327 197.353 1.00 38.86 C +ATOM 14148 CD1 PHE B 367 165.002 212.797 198.466 1.00 31.81 C +ATOM 14149 CD2 PHE B 367 164.871 214.025 196.433 1.00 38.50 C +ATOM 14150 CE1 PHE B 367 163.648 212.967 198.658 1.00 32.31 C +ATOM 14151 CE2 PHE B 367 163.515 214.196 196.625 1.00 33.06 C +ATOM 14152 CZ PHE B 367 162.905 213.666 197.738 1.00 33.95 C +ATOM 14153 H PHE B 367 167.819 214.343 199.136 1.00 39.45 H +ATOM 14154 HA PHE B 367 167.320 211.820 198.675 1.00 43.72 H +ATOM 14155 HB2 PHE B 367 167.500 214.013 196.933 1.00 37.40 H +ATOM 14156 HB3 PHE B 367 167.233 212.557 196.364 1.00 37.40 H +ATOM 14157 HD1 PHE B 367 165.498 212.323 199.094 1.00 38.17 H +ATOM 14158 HD2 PHE B 367 165.277 214.387 195.679 1.00 46.20 H +ATOM 14159 HE1 PHE B 367 163.237 212.609 199.411 1.00 38.78 H +ATOM 14160 HE2 PHE B 367 163.013 214.669 196.001 1.00 39.68 H +ATOM 14161 HZ PHE B 367 161.991 213.781 197.867 1.00 40.75 H +ATOM 14162 N ASN B 368 170.296 212.638 197.997 1.00 37.53 N +ATOM 14163 CA ASN B 368 171.611 212.093 197.656 1.00 52.74 C +ATOM 14164 C ASN B 368 172.389 211.636 198.892 1.00 52.76 C +ATOM 14165 O ASN B 368 173.579 211.334 198.808 1.00 53.07 O +ATOM 14166 CB ASN B 368 172.439 213.122 196.881 1.00 54.51 C +ATOM 14167 CG ASN B 368 171.930 213.344 195.470 1.00 94.80 C +ATOM 14168 OD1 ASN B 368 171.122 212.567 194.958 1.00 78.09 O +ATOM 14169 ND2 ASN B 368 172.414 214.400 194.829 1.00115.57 N +ATOM 14170 H ASN B 368 170.316 213.444 198.296 1.00 45.03 H +ATOM 14171 HA ASN B 368 171.488 211.320 197.083 1.00 63.29 H +ATOM 14172 HB2 ASN B 368 172.406 213.971 197.349 1.00 65.41 H +ATOM 14173 HB3 ASN B 368 173.356 212.810 196.823 1.00 65.41 H +ATOM 14174 HD21 ASN B 368 172.157 214.570 194.026 1.00138.69 H +ATOM 14175 HD22 ASN B 368 172.984 214.914 195.216 1.00138.69 H +ATOM 14176 N LYS B 369 171.712 211.576 200.033 1.00 46.24 N +ATOM 14177 CA LYS B 369 172.343 211.174 201.284 1.00 37.58 C +ATOM 14178 C LYS B 369 171.841 209.808 201.730 1.00 31.65 C +ATOM 14179 O LYS B 369 170.785 209.355 201.298 1.00 37.86 O +ATOM 14180 CB LYS B 369 172.063 212.199 202.383 1.00 37.48 C +ATOM 14181 CG LYS B 369 172.313 213.638 201.982 1.00 48.93 C +ATOM 14182 CD LYS B 369 173.783 213.907 201.723 1.00 60.46 C +ATOM 14183 CE LYS B 369 174.005 215.359 201.343 1.00 69.49 C +ATOM 14184 NZ LYS B 369 175.431 215.667 201.063 1.00 78.35 N +ATOM 14185 H LYS B 369 170.877 211.766 200.109 1.00 55.49 H +ATOM 14186 HA LYS B 369 173.303 211.119 201.156 1.00 45.10 H +ATOM 14187 HB2 LYS B 369 171.133 212.124 202.647 1.00 44.97 H +ATOM 14188 HB3 LYS B 369 172.634 212.002 203.143 1.00 44.97 H +ATOM 14189 HG2 LYS B 369 171.822 213.832 201.169 1.00 58.71 H +ATOM 14190 HG3 LYS B 369 172.020 214.223 202.698 1.00 58.71 H +ATOM 14191 HD2 LYS B 369 174.292 213.719 202.527 1.00 72.55 H +ATOM 14192 HD3 LYS B 369 174.088 213.349 200.991 1.00 72.55 H +ATOM 14193 HE2 LYS B 369 173.493 215.559 200.544 1.00 83.38 H +ATOM 14194 HE3 LYS B 369 173.714 215.925 202.075 1.00 83.38 H +ATOM 14195 HZ1 LYS B 369 175.519 216.526 200.845 1.00 94.02 H +ATOM 14196 HZ2 LYS B 369 175.925 215.500 201.784 1.00 94.02 H +ATOM 14197 HZ3 LYS B 369 175.724 215.166 200.389 1.00 94.02 H +ATOM 14198 N GLN B 370 172.611 209.152 202.590 1.00 37.14 N +ATOM 14199 CA GLN B 370 172.123 207.976 203.298 1.00 39.82 C +ATOM 14200 C GLN B 370 171.151 208.436 204.369 1.00 34.58 C +ATOM 14201 O GLN B 370 171.490 209.288 205.188 1.00 33.79 O +ATOM 14202 CB GLN B 370 173.267 207.189 203.934 1.00 39.03 C +ATOM 14203 CG GLN B 370 174.217 206.527 202.956 1.00 38.96 C +ATOM 14204 CD GLN B 370 175.315 205.760 203.668 1.00 40.03 C +ATOM 14205 OE1 GLN B 370 176.308 206.340 204.103 1.00 42.23 O +ATOM 14206 NE2 GLN B 370 175.132 204.451 203.807 1.00 43.51 N +ATOM 14207 H GLN B 370 173.422 209.367 202.781 1.00 44.57 H +ATOM 14208 HA GLN B 370 171.652 207.395 202.680 1.00 47.78 H +ATOM 14209 HB2 GLN B 370 173.789 207.795 204.483 1.00 46.84 H +ATOM 14210 HB3 GLN B 370 172.888 206.491 204.491 1.00 46.84 H +ATOM 14211 HG2 GLN B 370 173.721 205.904 202.402 1.00 46.75 H +ATOM 14212 HG3 GLN B 370 174.632 207.208 202.404 1.00 46.75 H +ATOM 14213 HE21 GLN B 370 174.418 204.082 203.500 1.00 52.22 H +ATOM 14214 HE22 GLN B 370 175.727 203.974 204.204 1.00 52.22 H +ATOM 14215 N PHE B 371 169.945 207.882 204.366 1.00 32.88 N +ATOM 14216 CA PHE B 371 168.932 208.285 205.332 1.00 31.12 C +ATOM 14217 C PHE B 371 167.799 207.267 205.395 1.00 24.75 C +ATOM 14218 O PHE B 371 167.302 206.821 204.365 1.00 32.90 O +ATOM 14219 CB PHE B 371 168.383 209.669 204.976 1.00 32.52 C +ATOM 14220 CG PHE B 371 167.542 210.281 206.054 1.00 32.54 C +ATOM 14221 CD1 PHE B 371 168.128 211.000 207.079 1.00 28.39 C +ATOM 14222 CD2 PHE B 371 166.166 210.136 206.046 1.00 33.53 C +ATOM 14223 CE1 PHE B 371 167.359 211.558 208.075 1.00 30.11 C +ATOM 14224 CE2 PHE B 371 165.393 210.695 207.042 1.00 26.42 C +ATOM 14225 CZ PHE B 371 165.991 211.406 208.057 1.00 30.38 C +ATOM 14226 H PHE B 371 169.689 207.271 203.817 1.00 39.46 H +ATOM 14227 HA PHE B 371 169.336 208.340 206.212 1.00 37.34 H +ATOM 14228 HB2 PHE B 371 169.128 210.267 204.806 1.00 39.02 H +ATOM 14229 HB3 PHE B 371 167.834 209.593 204.180 1.00 39.02 H +ATOM 14230 HD1 PHE B 371 169.052 211.104 207.098 1.00 34.06 H +ATOM 14231 HD2 PHE B 371 165.758 209.654 205.363 1.00 40.24 H +ATOM 14232 HE1 PHE B 371 167.764 212.040 208.760 1.00 36.13 H +ATOM 14233 HE2 PHE B 371 164.469 210.592 207.028 1.00 31.71 H +ATOM 14234 HZ PHE B 371 165.471 211.785 208.728 1.00 36.46 H +ATOM 14235 N GLN B 372 167.400 206.901 206.610 1.00 24.05 N +ATOM 14236 CA GLN B 372 166.326 205.929 206.809 1.00 27.26 C +ATOM 14237 C GLN B 372 164.980 206.621 207.007 1.00 19.95 C +ATOM 14238 O GLN B 372 164.784 207.354 207.973 1.00 22.28 O +ATOM 14239 CB GLN B 372 166.632 205.033 208.010 1.00 20.77 C +ATOM 14240 CG GLN B 372 167.918 204.245 207.879 1.00 19.81 C +ATOM 14241 CD GLN B 372 167.901 203.274 206.717 1.00 21.65 C +ATOM 14242 OE1 GLN B 372 166.998 202.448 206.591 1.00 23.41 O +ATOM 14243 NE2 GLN B 372 168.904 203.372 205.857 1.00 29.26 N +ATOM 14244 H GLN B 372 167.737 207.203 207.341 1.00 28.86 H +ATOM 14245 HA GLN B 372 166.261 205.365 206.023 1.00 32.71 H +ATOM 14246 HB2 GLN B 372 166.705 205.588 208.803 1.00 24.93 H +ATOM 14247 HB3 GLN B 372 165.906 204.399 208.119 1.00 24.93 H +ATOM 14248 HG2 GLN B 372 168.653 204.862 207.743 1.00 23.77 H +ATOM 14249 HG3 GLN B 372 168.059 203.735 208.692 1.00 23.77 H +ATOM 14250 HE21 GLN B 372 169.517 203.963 205.977 1.00 35.11 H +ATOM 14251 HE22 GLN B 372 168.942 202.844 205.179 1.00 35.11 H +ATOM 14252 N TYR B 373 164.056 206.384 206.086 1.00 20.31 N +ATOM 14253 CA TYR B 373 162.725 206.967 206.187 1.00 24.30 C +ATOM 14254 C TYR B 373 161.841 206.099 207.069 1.00 19.34 C +ATOM 14255 O TYR B 373 160.933 205.422 206.600 1.00 24.02 O +ATOM 14256 CB TYR B 373 162.113 207.149 204.799 1.00 23.58 C +ATOM 14257 CG TYR B 373 162.857 208.167 203.976 1.00 20.98 C +ATOM 14258 CD1 TYR B 373 162.771 209.520 204.275 1.00 23.69 C +ATOM 14259 CD2 TYR B 373 163.657 207.779 202.914 1.00 27.11 C +ATOM 14260 CE1 TYR B 373 163.456 210.454 203.535 1.00 24.62 C +ATOM 14261 CE2 TYR B 373 164.345 208.708 202.165 1.00 25.99 C +ATOM 14262 CZ TYR B 373 164.243 210.045 202.480 1.00 32.02 C +ATOM 14263 OH TYR B 373 164.932 210.974 201.732 1.00 28.90 O +ATOM 14264 H TYR B 373 164.174 205.890 205.392 1.00 24.38 H +ATOM 14265 HA TYR B 373 162.794 207.841 206.600 1.00 29.16 H +ATOM 14266 HB2 TYR B 373 162.139 206.302 204.327 1.00 28.29 H +ATOM 14267 HB3 TYR B 373 161.195 207.449 204.893 1.00 28.29 H +ATOM 14268 HD1 TYR B 373 162.242 209.798 204.987 1.00 28.43 H +ATOM 14269 HD2 TYR B 373 163.728 206.876 202.701 1.00 32.53 H +ATOM 14270 HE1 TYR B 373 163.387 211.358 203.744 1.00 29.54 H +ATOM 14271 HE2 TYR B 373 164.877 208.434 201.454 1.00 31.19 H +ATOM 14272 HH TYR B 373 164.783 211.746 202.026 1.00 34.68 H +ATOM 14273 N GLN B 374 162.145 206.120 208.359 1.00 22.09 N +ATOM 14274 CA GLN B 374 161.357 205.435 209.366 1.00 24.98 C +ATOM 14275 C GLN B 374 161.711 206.038 210.714 1.00 19.64 C +ATOM 14276 O GLN B 374 162.703 206.751 210.832 1.00 16.50 O +ATOM 14277 CB GLN B 374 161.613 203.924 209.349 1.00 21.73 C +ATOM 14278 CG GLN B 374 163.070 203.523 209.493 1.00 26.70 C +ATOM 14279 CD GLN B 374 163.253 202.014 209.566 1.00 28.45 C +ATOM 14280 OE1 GLN B 374 162.815 201.370 210.519 1.00 35.73 O +ATOM 14281 NE2 GLN B 374 163.896 201.445 208.555 1.00 29.66 N +ATOM 14282 H GLN B 374 162.823 206.538 208.682 1.00 26.51 H +ATOM 14283 HA GLN B 374 160.414 205.589 209.199 1.00 29.98 H +ATOM 14284 HB2 GLN B 374 161.123 203.519 210.082 1.00 26.08 H +ATOM 14285 HB3 GLN B 374 161.292 203.566 208.506 1.00 26.08 H +ATOM 14286 HG2 GLN B 374 163.567 203.850 208.726 1.00 32.03 H +ATOM 14287 HG3 GLN B 374 163.426 203.909 210.309 1.00 32.03 H +ATOM 14288 HE21 GLN B 374 164.185 201.926 207.903 1.00 35.59 H +ATOM 14289 HE22 GLN B 374 164.024 200.594 208.551 1.00 35.59 H +ATOM 14290 N ASN B 375 160.895 205.764 211.722 1.00 22.66 N +ATOM 14291 CA ASN B 375 161.120 206.314 213.048 1.00 19.53 C +ATOM 14292 C ASN B 375 160.468 205.465 214.125 1.00 22.70 C +ATOM 14293 O ASN B 375 159.446 204.824 213.898 1.00 19.61 O +ATOM 14294 CB ASN B 375 160.587 207.746 213.129 1.00 18.77 C +ATOM 14295 CG ASN B 375 161.101 208.497 214.345 1.00 19.94 C +ATOM 14296 OD1 ASN B 375 162.298 208.504 214.625 1.00 18.61 O +ATOM 14297 ND2 ASN B 375 160.193 209.130 215.075 1.00 25.47 N +ATOM 14298 H ASN B 375 160.200 205.261 211.663 1.00 27.19 H +ATOM 14299 HA ASN B 375 162.074 206.339 213.223 1.00 23.44 H +ATOM 14300 HB2 ASN B 375 160.864 208.231 212.337 1.00 22.52 H +ATOM 14301 HB3 ASN B 375 159.618 207.720 213.181 1.00 22.52 H +ATOM 14302 HD21 ASN B 375 160.433 209.570 215.774 1.00 30.57 H +ATOM 14303 HD22 ASN B 375 159.363 209.101 214.850 1.00 30.57 H +ATOM 14304 N ARG B 376 161.090 205.457 215.297 1.00 20.23 N +ATOM 14305 CA ARG B 376 160.517 204.853 216.485 1.00 23.57 C +ATOM 14306 C ARG B 376 160.716 205.836 217.629 1.00 18.56 C +ATOM 14307 O ARG B 376 161.829 206.300 217.866 1.00 21.24 O +ATOM 14308 CB ARG B 376 161.174 203.508 216.792 1.00 25.56 C +ATOM 14309 CG ARG B 376 160.419 202.651 217.799 1.00 24.18 C +ATOM 14310 CD ARG B 376 159.198 201.984 217.187 1.00 17.45 C +ATOM 14311 NE ARG B 376 159.554 201.077 216.101 1.00 20.51 N +ATOM 14312 CZ ARG B 376 160.007 199.837 216.266 1.00 18.34 C +ATOM 14313 NH1 ARG B 376 160.174 199.332 217.480 1.00 20.04 N +ATOM 14314 NH2 ARG B 376 160.300 199.097 215.207 1.00 19.89 N +ATOM 14315 H ARG B 376 161.865 205.805 215.429 1.00 24.28 H +ATOM 14316 HA ARG B 376 159.566 204.713 216.356 1.00 28.28 H +ATOM 14317 HB2 ARG B 376 161.243 203.001 215.968 1.00 30.68 H +ATOM 14318 HB3 ARG B 376 162.061 203.670 217.151 1.00 30.68 H +ATOM 14319 HG2 ARG B 376 161.009 201.955 218.129 1.00 29.01 H +ATOM 14320 HG3 ARG B 376 160.121 203.212 218.532 1.00 29.01 H +ATOM 14321 HD2 ARG B 376 158.739 201.472 217.871 1.00 20.94 H +ATOM 14322 HD3 ARG B 376 158.609 202.667 216.829 1.00 20.94 H +ATOM 14323 HE ARG B 376 159.465 201.364 215.295 1.00 24.61 H +ATOM 14324 HH11 ARG B 376 159.986 199.806 218.173 1.00 24.05 H +ATOM 14325 HH12 ARG B 376 160.468 198.530 217.575 1.00 24.05 H +ATOM 14326 HH21 ARG B 376 160.195 199.418 214.416 1.00 23.86 H +ATOM 14327 HH22 ARG B 376 160.594 198.296 215.310 1.00 23.86 H +ATOM 14328 N ILE B 377 159.631 206.172 218.315 1.00 18.35 N +ATOM 14329 CA ILE B 377 159.672 207.182 219.363 1.00 16.95 C +ATOM 14330 C ILE B 377 160.452 206.682 220.572 1.00 18.78 C +ATOM 14331 O ILE B 377 160.147 205.631 221.132 1.00 18.82 O +ATOM 14332 CB ILE B 377 158.250 207.592 219.797 1.00 19.22 C +ATOM 14333 CG1 ILE B 377 157.478 208.160 218.601 1.00 23.86 C +ATOM 14334 CG2 ILE B 377 158.293 208.602 220.943 1.00 19.46 C +ATOM 14335 CD1 ILE B 377 158.089 209.414 217.980 1.00 21.40 C +ATOM 14336 H ILE B 377 158.853 205.827 218.191 1.00 22.02 H +ATOM 14337 HA ILE B 377 160.121 207.972 219.023 1.00 20.34 H +ATOM 14338 HB ILE B 377 157.787 206.799 220.109 1.00 23.07 H +ATOM 14339 HG12 ILE B 377 157.436 207.481 217.909 1.00 28.64 H +ATOM 14340 HG13 ILE B 377 156.580 208.385 218.891 1.00 28.64 H +ATOM 14341 HG21 ILE B 377 157.385 208.838 221.190 1.00 23.35 H +ATOM 14342 HG22 ILE B 377 158.749 208.202 221.700 1.00 23.35 H +ATOM 14343 HG23 ILE B 377 158.772 209.393 220.649 1.00 23.35 H +ATOM 14344 HD11 ILE B 377 157.536 209.699 217.236 1.00 25.68 H +ATOM 14345 HD12 ILE B 377 158.126 210.112 218.652 1.00 25.68 H +ATOM 14346 HD13 ILE B 377 158.984 209.207 217.668 1.00 25.68 H +ATOM 14347 N ALA B 378 161.460 207.453 220.961 1.00 16.62 N +ATOM 14348 CA ALA B 378 162.292 207.120 222.109 1.00 17.79 C +ATOM 14349 C ALA B 378 161.643 207.594 223.400 1.00 22.47 C +ATOM 14350 O ALA B 378 161.101 208.697 223.463 1.00 24.96 O +ATOM 14351 CB ALA B 378 163.671 207.735 221.958 1.00 20.78 C +ATOM 14352 H ALA B 378 161.686 208.185 220.570 1.00 19.94 H +ATOM 14353 HA ALA B 378 162.395 206.157 222.159 1.00 21.34 H +ATOM 14354 HB1 ALA B 378 164.207 207.501 222.732 1.00 24.94 H +ATOM 14355 HB2 ALA B 378 164.085 207.388 221.152 1.00 24.94 H +ATOM 14356 HB3 ALA B 378 163.582 208.699 221.897 1.00 24.94 H +ATOM 14357 N ALA B 379 161.704 206.755 224.427 1.00 24.53 N +ATOM 14358 CA ALA B 379 161.152 207.093 225.730 1.00 17.61 C +ATOM 14359 C ALA B 379 161.846 208.318 226.310 1.00 22.81 C +ATOM 14360 O ALA B 379 161.226 209.120 227.007 1.00 24.43 O +ATOM 14361 CB ALA B 379 161.281 205.914 226.677 1.00 22.43 C +ATOM 14362 H ALA B 379 162.064 205.974 224.393 1.00 29.44 H +ATOM 14363 HA ALA B 379 160.210 207.299 225.631 1.00 21.13 H +ATOM 14364 HB1 ALA B 379 160.908 206.159 227.538 1.00 26.91 H +ATOM 14365 HB2 ALA B 379 160.795 205.159 226.308 1.00 26.91 H +ATOM 14366 HB3 ALA B 379 162.219 205.688 226.774 1.00 26.91 H +ATOM 14367 N GLU B 380 163.133 208.461 226.021 1.00 27.29 N +ATOM 14368 CA GLU B 380 163.902 209.592 226.521 1.00 24.39 C +ATOM 14369 C GLU B 380 163.470 210.892 225.851 1.00 29.24 C +ATOM 14370 O GLU B 380 163.556 211.964 226.451 1.00 29.33 O +ATOM 14371 CB GLU B 380 165.397 209.360 226.311 1.00 27.64 C +ATOM 14372 CG GLU B 380 165.936 208.158 227.072 1.00 30.41 C +ATOM 14373 CD GLU B 380 166.159 206.938 226.190 1.00 31.02 C +ATOM 14374 OE1 GLU B 380 165.482 206.808 225.150 1.00 20.17 O +ATOM 14375 OE2 GLU B 380 167.019 206.105 226.544 1.00 25.72 O +ATOM 14376 H GLU B 380 163.587 207.916 225.535 1.00 32.74 H +ATOM 14377 HA GLU B 380 163.745 209.682 227.475 1.00 29.27 H +ATOM 14378 HB2 GLU B 380 165.561 209.212 225.367 1.00 33.17 H +ATOM 14379 HB3 GLU B 380 165.882 210.144 226.611 1.00 33.17 H +ATOM 14380 HG2 GLU B 380 166.787 208.396 227.473 1.00 36.49 H +ATOM 14381 HG3 GLU B 380 165.302 207.914 227.764 1.00 36.49 H +ATOM 14382 N PHE B 381 163.016 210.795 224.605 1.00 25.58 N +ATOM 14383 CA PHE B 381 162.482 211.953 223.901 1.00 26.10 C +ATOM 14384 C PHE B 381 161.222 212.427 224.615 1.00 23.90 C +ATOM 14385 O PHE B 381 160.988 213.623 224.762 1.00 20.21 O +ATOM 14386 CB PHE B 381 162.178 211.606 222.442 1.00 23.41 C +ATOM 14387 CG PHE B 381 161.873 212.797 221.571 1.00 17.38 C +ATOM 14388 CD1 PHE B 381 162.486 214.019 221.788 1.00 25.14 C +ATOM 14389 CD2 PHE B 381 160.976 212.686 220.523 1.00 21.97 C +ATOM 14390 CE1 PHE B 381 162.207 215.102 220.981 1.00 17.28 C +ATOM 14391 CE2 PHE B 381 160.697 213.767 219.713 1.00 19.17 C +ATOM 14392 CZ PHE B 381 161.312 214.976 219.944 1.00 20.75 C +ATOM 14393 H PHE B 381 163.007 210.068 224.146 1.00 30.69 H +ATOM 14394 HA PHE B 381 163.133 212.671 223.917 1.00 31.32 H +ATOM 14395 HB2 PHE B 381 162.948 211.154 222.063 1.00 28.09 H +ATOM 14396 HB3 PHE B 381 161.408 211.017 222.416 1.00 28.09 H +ATOM 14397 HD1 PHE B 381 163.092 214.111 222.487 1.00 30.17 H +ATOM 14398 HD2 PHE B 381 160.558 211.871 220.361 1.00 26.37 H +ATOM 14399 HE1 PHE B 381 162.623 215.918 221.139 1.00 20.73 H +ATOM 14400 HE2 PHE B 381 160.090 213.680 219.013 1.00 23.01 H +ATOM 14401 HZ PHE B 381 161.123 215.707 219.401 1.00 24.90 H +ATOM 14402 N ASN B 382 160.412 211.471 225.053 1.00 27.75 N +ATOM 14403 CA ASN B 382 159.213 211.763 225.827 1.00 26.50 C +ATOM 14404 C ASN B 382 159.587 212.443 227.138 1.00 26.56 C +ATOM 14405 O ASN B 382 159.006 213.461 227.500 1.00 33.64 O +ATOM 14406 CB ASN B 382 158.420 210.471 226.075 1.00 29.47 C +ATOM 14407 CG ASN B 382 157.133 210.694 226.857 1.00 30.62 C +ATOM 14408 OD1 ASN B 382 157.119 211.353 227.892 1.00 42.70 O +ATOM 14409 ND2 ASN B 382 156.045 210.126 226.363 1.00 37.36 N +ATOM 14410 H ASN B 382 160.537 210.632 224.913 1.00 33.30 H +ATOM 14411 HA ASN B 382 158.649 212.371 225.322 1.00 31.80 H +ATOM 14412 HB2 ASN B 382 158.185 210.078 225.220 1.00 35.36 H +ATOM 14413 HB3 ASN B 382 158.973 209.856 226.581 1.00 35.36 H +ATOM 14414 HD21 ASN B 382 155.290 210.220 226.765 1.00 44.83 H +ATOM 14415 HD22 ASN B 382 156.092 209.662 225.641 1.00 44.83 H +ATOM 14416 N THR B 383 160.574 211.887 227.830 1.00 33.48 N +ATOM 14417 CA THR B 383 160.995 212.398 229.132 1.00 25.99 C +ATOM 14418 C THR B 383 161.502 213.838 229.071 1.00 26.90 C +ATOM 14419 O THR B 383 161.129 214.665 229.902 1.00 29.86 O +ATOM 14420 CB THR B 383 162.098 211.508 229.739 1.00 25.37 C +ATOM 14421 OG1 THR B 383 161.567 210.201 229.985 1.00 28.06 O +ATOM 14422 CG2 THR B 383 162.630 212.088 231.056 1.00 26.01 C +ATOM 14423 H THR B 383 161.022 211.203 227.565 1.00 40.18 H +ATOM 14424 HA THR B 383 160.234 212.379 229.734 1.00 31.18 H +ATOM 14425 HB THR B 383 162.837 211.442 229.115 1.00 30.44 H +ATOM 14426 HG1 THR B 383 160.922 210.249 230.521 1.00 33.68 H +ATOM 14427 HG21 THR B 383 163.321 211.511 231.417 1.00 31.21 H +ATOM 14428 HG22 THR B 383 163.004 212.970 230.902 1.00 31.21 H +ATOM 14429 HG23 THR B 383 161.909 212.160 231.701 1.00 31.21 H +ATOM 14430 N LEU B 384 162.355 214.138 228.097 1.00 26.20 N +ATOM 14431 CA LEU B 384 162.947 215.468 227.998 1.00 30.16 C +ATOM 14432 C LEU B 384 161.920 216.512 227.557 1.00 28.54 C +ATOM 14433 O LEU B 384 162.145 217.709 227.719 1.00 30.77 O +ATOM 14434 CB LEU B 384 164.140 215.459 227.031 1.00 27.06 C +ATOM 14435 CG LEU B 384 163.862 215.249 225.539 1.00 28.87 C +ATOM 14436 CD1 LEU B 384 163.653 216.575 224.818 1.00 25.06 C +ATOM 14437 CD2 LEU B 384 165.009 214.483 224.893 1.00 32.07 C +ATOM 14438 H LEU B 384 162.606 213.592 227.482 1.00 31.44 H +ATOM 14439 HA LEU B 384 163.276 215.728 228.873 1.00 36.19 H +ATOM 14440 HB2 LEU B 384 164.596 216.311 227.115 1.00 32.47 H +ATOM 14441 HB3 LEU B 384 164.741 214.751 227.307 1.00 32.47 H +ATOM 14442 HG LEU B 384 163.054 214.722 225.439 1.00 34.64 H +ATOM 14443 HD11 LEU B 384 163.481 216.399 223.879 1.00 30.07 H +ATOM 14444 HD12 LEU B 384 162.895 217.033 225.213 1.00 30.07 H +ATOM 14445 HD13 LEU B 384 164.453 217.115 224.912 1.00 30.07 H +ATOM 14446 HD21 LEU B 384 164.815 214.361 223.951 1.00 38.49 H +ATOM 14447 HD22 LEU B 384 165.828 214.993 225.000 1.00 38.49 H +ATOM 14448 HD23 LEU B 384 165.097 213.621 225.329 1.00 38.49 H +ATOM 14449 N TYR B 385 160.794 216.064 227.008 1.00 33.25 N +ATOM 14450 CA TYR B 385 159.787 216.989 226.490 1.00 36.20 C +ATOM 14451 C TYR B 385 158.735 217.377 227.531 1.00 34.65 C +ATOM 14452 O TYR B 385 157.748 218.031 227.202 1.00 29.14 O +ATOM 14453 CB TYR B 385 159.094 216.398 225.262 1.00 25.48 C +ATOM 14454 CG TYR B 385 159.140 217.321 224.068 1.00 30.68 C +ATOM 14455 CD1 TYR B 385 159.753 216.934 222.885 1.00 31.59 C +ATOM 14456 CD2 TYR B 385 158.592 218.593 224.136 1.00 32.51 C +ATOM 14457 CE1 TYR B 385 159.803 217.787 221.798 1.00 29.06 C +ATOM 14458 CE2 TYR B 385 158.638 219.447 223.060 1.00 30.66 C +ATOM 14459 CZ TYR B 385 159.244 219.042 221.894 1.00 30.49 C +ATOM 14460 OH TYR B 385 159.288 219.901 220.823 1.00 27.86 O +ATOM 14461 H TYR B 385 160.589 215.233 226.923 1.00 39.89 H +ATOM 14462 HA TYR B 385 160.233 217.803 226.210 1.00 43.44 H +ATOM 14463 HB2 TYR B 385 159.535 215.569 225.018 1.00 30.58 H +ATOM 14464 HB3 TYR B 385 158.163 216.229 225.475 1.00 30.58 H +ATOM 14465 HD1 TYR B 385 160.131 216.086 222.820 1.00 37.91 H +ATOM 14466 HD2 TYR B 385 158.181 218.872 224.922 1.00 39.01 H +ATOM 14467 HE1 TYR B 385 160.213 217.516 221.008 1.00 34.87 H +ATOM 14468 HE2 TYR B 385 158.262 220.295 223.120 1.00 36.80 H +ATOM 14469 HH TYR B 385 159.682 219.536 220.178 1.00 33.43 H +ATOM 14470 N HIS B 386 158.945 216.987 228.781 1.00 31.27 N +ATOM 14471 CA HIS B 386 158.063 217.427 229.853 1.00 46.68 C +ATOM 14472 C HIS B 386 158.390 218.875 230.206 1.00 48.14 C +ATOM 14473 O HIS B 386 159.014 219.154 231.227 1.00 49.40 O +ATOM 14474 CB HIS B 386 158.195 216.517 231.073 1.00 58.70 C +ATOM 14475 CG HIS B 386 157.536 215.183 230.899 1.00 50.23 C +ATOM 14476 ND1 HIS B 386 156.334 214.863 231.491 1.00 71.18 N +ATOM 14477 CD2 HIS B 386 157.904 214.095 230.183 1.00 43.79 C +ATOM 14478 CE1 HIS B 386 155.994 213.631 231.155 1.00 64.10 C +ATOM 14479 NE2 HIS B 386 156.930 213.144 230.361 1.00 46.80 N +ATOM 14480 H HIS B 386 159.586 216.472 229.034 1.00 37.52 H +ATOM 14481 HA HIS B 386 157.144 217.390 229.545 1.00 56.01 H +ATOM 14482 HB2 HIS B 386 159.136 216.363 231.250 1.00 70.44 H +ATOM 14483 HB3 HIS B 386 157.784 216.954 231.836 1.00 70.44 H +ATOM 14484 HD2 HIS B 386 158.674 214.007 229.669 1.00 52.54 H +ATOM 14485 HE1 HIS B 386 155.227 213.184 231.430 1.00 76.92 H +ATOM 14486 HE2 HIS B 386 156.930 212.357 230.013 1.00 56.16 H +ATOM 14487 N TRP B 387 157.967 219.788 229.334 1.00 47.01 N +ATOM 14488 CA TRP B 387 158.273 221.208 229.469 1.00 52.37 C +ATOM 14489 C TRP B 387 157.179 221.946 230.220 1.00 51.00 C +ATOM 14490 O TRP B 387 156.635 222.931 229.726 1.00 43.90 O +ATOM 14491 CB TRP B 387 158.454 221.852 228.096 1.00 47.55 C +ATOM 14492 CG TRP B 387 159.585 221.311 227.297 1.00 39.95 C +ATOM 14493 CD1 TRP B 387 160.542 220.433 227.711 1.00 34.63 C +ATOM 14494 CD2 TRP B 387 159.882 221.620 225.935 1.00 41.34 C +ATOM 14495 NE1 TRP B 387 161.418 220.173 226.687 1.00 33.24 N +ATOM 14496 CE2 TRP B 387 161.034 220.890 225.584 1.00 39.20 C +ATOM 14497 CE3 TRP B 387 159.285 222.442 224.976 1.00 32.03 C +ATOM 14498 CZ2 TRP B 387 161.599 220.956 224.314 1.00 35.31 C +ATOM 14499 CZ3 TRP B 387 159.847 222.508 223.719 1.00 42.08 C +ATOM 14500 CH2 TRP B 387 160.994 221.770 223.398 1.00 39.80 C +ATOM 14501 H TRP B 387 157.492 219.604 228.641 1.00 56.41 H +ATOM 14502 HA TRP B 387 159.102 221.310 229.964 1.00 62.84 H +ATOM 14503 HB2 TRP B 387 157.642 221.718 227.582 1.00 57.06 H +ATOM 14504 HB3 TRP B 387 158.609 222.802 228.218 1.00 57.06 H +ATOM 14505 HD1 TRP B 387 160.593 220.063 228.563 1.00 41.55 H +ATOM 14506 HE1 TRP B 387 162.096 219.646 226.730 1.00 39.89 H +ATOM 14507 HE3 TRP B 387 158.523 222.935 225.181 1.00 38.43 H +ATOM 14508 HZ2 TRP B 387 162.361 220.469 224.098 1.00 42.38 H +ATOM 14509 HZ3 TRP B 387 159.458 223.052 223.072 1.00 50.49 H +ATOM 14510 HH2 TRP B 387 161.351 221.835 222.541 1.00 47.76 H +ATOM 14511 N HIS B 388 156.854 221.474 231.414 1.00 63.28 N +ATOM 14512 CA HIS B 388 155.806 222.098 232.204 1.00 67.85 C +ATOM 14513 C HIS B 388 156.230 223.432 232.836 1.00 62.15 C +ATOM 14514 O HIS B 388 155.372 224.215 233.235 1.00 55.61 O +ATOM 14515 CB HIS B 388 155.327 221.118 233.272 1.00 61.66 C +ATOM 14516 CG HIS B 388 154.627 219.923 232.702 1.00 67.86 C +ATOM 14517 ND1 HIS B 388 155.191 218.666 232.682 1.00 59.39 N +ATOM 14518 CD2 HIS B 388 153.421 219.803 232.098 1.00 64.30 C +ATOM 14519 CE1 HIS B 388 154.356 217.821 232.104 1.00 74.53 C +ATOM 14520 NE2 HIS B 388 153.273 218.485 231.741 1.00 62.85 N +ATOM 14521 H HIS B 388 157.224 220.794 231.789 1.00 75.93 H +ATOM 14522 HA HIS B 388 155.054 222.282 231.620 1.00 81.42 H +ATOM 14523 HB2 HIS B 388 156.092 220.803 233.777 1.00 73.99 H +ATOM 14524 HB3 HIS B 388 154.706 221.574 233.862 1.00 73.99 H +ATOM 14525 HD1 HIS B 388 155.964 218.463 233.000 1.00 71.27 H +ATOM 14526 HD2 HIS B 388 152.804 220.485 231.958 1.00 77.16 H +ATOM 14527 HE1 HIS B 388 154.504 216.912 231.977 1.00 89.44 H +ATOM 14528 N PRO B 389 157.545 223.706 232.926 1.00 47.52 N +ATOM 14529 CA PRO B 389 157.887 225.064 233.359 1.00 47.28 C +ATOM 14530 C PRO B 389 157.447 226.145 232.367 1.00 43.89 C +ATOM 14531 O PRO B 389 157.447 227.320 232.728 1.00 41.24 O +ATOM 14532 CB PRO B 389 159.413 225.023 233.471 1.00 44.95 C +ATOM 14533 CG PRO B 389 159.742 223.597 233.695 1.00 41.91 C +ATOM 14534 CD PRO B 389 158.726 222.822 232.926 1.00 45.47 C +ATOM 14535 HA PRO B 389 157.504 225.249 234.231 1.00 56.74 H +ATOM 14536 HB2 PRO B 389 159.810 225.342 232.645 1.00 53.94 H +ATOM 14537 HB3 PRO B 389 159.700 225.564 234.222 1.00 53.94 H +ATOM 14538 HG2 PRO B 389 160.635 223.413 233.363 1.00 50.29 H +ATOM 14539 HG3 PRO B 389 159.681 223.394 234.641 1.00 50.29 H +ATOM 14540 HD2 PRO B 389 159.033 222.670 232.018 1.00 54.56 H +ATOM 14541 HD3 PRO B 389 158.524 221.988 233.378 1.00 54.56 H +ATOM 14542 N LEU B 390 157.096 225.759 231.145 1.00 43.66 N +ATOM 14543 CA LEU B 390 156.537 226.695 230.171 1.00 45.44 C +ATOM 14544 C LEU B 390 155.248 227.314 230.691 1.00 49.77 C +ATOM 14545 O LEU B 390 154.915 228.454 230.362 1.00 43.52 O +ATOM 14546 CB LEU B 390 156.241 225.999 228.840 1.00 40.11 C +ATOM 14547 CG LEU B 390 157.371 225.700 227.856 1.00 43.07 C +ATOM 14548 CD1 LEU B 390 156.807 224.906 226.694 1.00 41.65 C +ATOM 14549 CD2 LEU B 390 158.022 226.973 227.359 1.00 34.51 C +ATOM 14550 H LEU B 390 157.173 224.954 230.851 1.00 52.39 H +ATOM 14551 HA LEU B 390 157.174 227.408 230.009 1.00 54.52 H +ATOM 14552 HB2 LEU B 390 155.825 225.147 229.046 1.00 48.13 H +ATOM 14553 HB3 LEU B 390 155.601 226.549 228.362 1.00 48.13 H +ATOM 14554 HG LEU B 390 158.048 225.161 228.296 1.00 51.69 H +ATOM 14555 HD11 LEU B 390 157.522 224.715 226.067 1.00 49.98 H +ATOM 14556 HD12 LEU B 390 156.431 224.078 227.030 1.00 49.98 H +ATOM 14557 HD13 LEU B 390 156.117 225.432 226.259 1.00 49.98 H +ATOM 14558 HD21 LEU B 390 158.732 226.743 226.739 1.00 41.41 H +ATOM 14559 HD22 LEU B 390 157.354 227.515 226.911 1.00 41.41 H +ATOM 14560 HD23 LEU B 390 158.388 227.457 228.116 1.00 41.41 H +ATOM 14561 N LEU B 391 154.521 226.543 231.489 1.00 53.94 N +ATOM 14562 CA LEU B 391 153.181 226.924 231.905 1.00 58.13 C +ATOM 14563 C LEU B 391 153.191 228.125 232.857 1.00 62.47 C +ATOM 14564 O LEU B 391 154.053 228.219 233.732 1.00 51.38 O +ATOM 14565 CB LEU B 391 152.492 225.738 232.571 1.00 54.72 C +ATOM 14566 CG LEU B 391 152.252 224.511 231.694 1.00 48.88 C +ATOM 14567 CD1 LEU B 391 151.794 223.336 232.544 1.00 53.20 C +ATOM 14568 CD2 LEU B 391 151.228 224.819 230.616 1.00 54.71 C +ATOM 14569 H LEU B 391 154.783 225.787 231.805 1.00 64.73 H +ATOM 14570 HA LEU B 391 152.666 227.169 231.121 1.00 69.75 H +ATOM 14571 HB2 LEU B 391 153.036 225.453 233.322 1.00 65.67 H +ATOM 14572 HB3 LEU B 391 151.627 226.032 232.895 1.00 65.67 H +ATOM 14573 HG LEU B 391 153.083 224.263 231.259 1.00 58.66 H +ATOM 14574 HD11 LEU B 391 151.648 222.569 231.969 1.00 63.84 H +ATOM 14575 HD12 LEU B 391 152.481 223.134 233.198 1.00 63.84 H +ATOM 14576 HD13 LEU B 391 150.969 223.575 232.993 1.00 63.84 H +ATOM 14577 HD21 LEU B 391 151.093 224.026 230.074 1.00 65.65 H +ATOM 14578 HD22 LEU B 391 150.394 225.077 231.039 1.00 65.65 H +ATOM 14579 HD23 LEU B 391 151.559 225.545 230.065 1.00 65.65 H +ATOM 14580 N PRO B 392 152.226 229.049 232.693 1.00 60.00 N +ATOM 14581 CA PRO B 392 152.131 230.233 233.555 1.00 55.48 C +ATOM 14582 C PRO B 392 151.386 229.957 234.857 1.00 53.23 C +ATOM 14583 O PRO B 392 150.887 228.852 235.058 1.00 53.00 O +ATOM 14584 CB PRO B 392 151.357 231.220 232.687 1.00 59.94 C +ATOM 14585 CG PRO B 392 150.446 230.351 231.890 1.00 59.97 C +ATOM 14586 CD PRO B 392 151.193 229.066 231.640 1.00 62.85 C +ATOM 14587 HA PRO B 392 153.013 230.588 233.749 1.00 66.58 H +ATOM 14588 HB2 PRO B 392 150.853 231.829 233.248 1.00 71.93 H +ATOM 14589 HB3 PRO B 392 151.969 231.704 232.110 1.00 71.93 H +ATOM 14590 HG2 PRO B 392 149.637 230.180 232.397 1.00 71.96 H +ATOM 14591 HG3 PRO B 392 150.234 230.788 231.050 1.00 71.96 H +ATOM 14592 HD2 PRO B 392 150.598 228.305 231.739 1.00 75.42 H +ATOM 14593 HD3 PRO B 392 151.606 229.081 230.763 1.00 75.42 H +ATOM 14594 N ASP B 393 151.312 230.955 235.730 1.00 55.09 N +ATOM 14595 CA ASP B 393 150.573 230.820 236.980 1.00 62.02 C +ATOM 14596 C ASP B 393 149.078 231.015 236.741 1.00 53.49 C +ATOM 14597 O ASP B 393 148.250 230.419 237.428 1.00 61.41 O +ATOM 14598 CB ASP B 393 151.087 231.819 238.017 1.00 63.62 C +ATOM 14599 CG ASP B 393 152.478 231.475 238.518 1.00 74.00 C +ATOM 14600 OD1 ASP B 393 152.791 230.271 238.644 1.00 57.21 O +ATOM 14601 OD2 ASP B 393 153.258 232.412 238.787 1.00 62.03 O +ATOM 14602 H ASP B 393 151.681 231.724 235.621 1.00 66.11 H +ATOM 14603 HA ASP B 393 150.707 229.926 237.331 1.00 74.43 H +ATOM 14604 HB2 ASP B 393 151.122 232.702 237.616 1.00 76.35 H +ATOM 14605 HB3 ASP B 393 150.486 231.823 238.778 1.00 76.35 H +ATOM 14606 N THR B 394 148.742 231.852 235.764 1.00 48.05 N +ATOM 14607 CA THR B 394 147.361 232.023 235.330 1.00 61.56 C +ATOM 14608 C THR B 394 147.321 232.255 233.824 1.00 60.37 C +ATOM 14609 O THR B 394 148.308 232.688 233.230 1.00 57.53 O +ATOM 14610 CB THR B 394 146.663 233.204 236.041 1.00 65.88 C +ATOM 14611 OG1 THR B 394 147.348 234.426 235.740 1.00 74.83 O +ATOM 14612 CG2 THR B 394 146.639 232.992 237.547 1.00 55.23 C +ATOM 14613 H THR B 394 149.305 232.339 235.333 1.00 57.66 H +ATOM 14614 HA THR B 394 146.862 231.214 235.525 1.00 73.87 H +ATOM 14615 HB THR B 394 145.747 233.267 235.729 1.00 79.05 H +ATOM 14616 HG1 THR B 394 146.970 235.069 236.126 1.00 89.79 H +ATOM 14617 HG21 THR B 394 146.198 233.741 237.979 1.00 66.27 H +ATOM 14618 HG22 THR B 394 146.157 232.177 237.759 1.00 66.27 H +ATOM 14619 HG23 THR B 394 147.545 232.921 237.886 1.00 66.27 H +ATOM 14620 N PHE B 395 146.176 231.961 233.215 1.00 54.74 N +ATOM 14621 CA PHE B 395 145.990 232.142 231.779 1.00 59.97 C +ATOM 14622 C PHE B 395 145.164 233.393 231.505 1.00 55.15 C +ATOM 14623 O PHE B 395 144.079 233.564 232.055 1.00 66.36 O +ATOM 14624 CB PHE B 395 145.315 230.914 231.170 1.00 62.19 C +ATOM 14625 CG PHE B 395 146.038 229.628 231.449 1.00 66.73 C +ATOM 14626 CD1 PHE B 395 146.967 229.130 230.550 1.00 50.57 C +ATOM 14627 CD2 PHE B 395 145.798 228.922 232.615 1.00 59.84 C +ATOM 14628 CE1 PHE B 395 147.635 227.949 230.808 1.00 51.55 C +ATOM 14629 CE2 PHE B 395 146.465 227.742 232.876 1.00 62.94 C +ATOM 14630 CZ PHE B 395 147.384 227.256 231.972 1.00 51.86 C +ATOM 14631 H PHE B 395 145.483 231.650 233.618 1.00 65.69 H +ATOM 14632 HA PHE B 395 146.856 232.252 231.357 1.00 71.96 H +ATOM 14633 HB2 PHE B 395 144.419 230.836 231.535 1.00 74.63 H +ATOM 14634 HB3 PHE B 395 145.269 231.027 230.208 1.00 74.63 H +ATOM 14635 HD1 PHE B 395 147.139 229.594 229.763 1.00 60.69 H +ATOM 14636 HD2 PHE B 395 145.179 229.246 233.229 1.00 71.81 H +ATOM 14637 HE1 PHE B 395 148.255 227.623 230.196 1.00 61.86 H +ATOM 14638 HE2 PHE B 395 146.294 227.275 233.662 1.00 75.53 H +ATOM 14639 HZ PHE B 395 147.833 226.461 232.146 1.00 62.23 H +ATOM 14640 N GLN B 396 145.693 234.262 230.651 1.00 55.37 N +ATOM 14641 CA GLN B 396 145.050 235.530 230.327 1.00 59.53 C +ATOM 14642 C GLN B 396 144.401 235.479 228.950 1.00 64.76 C +ATOM 14643 O GLN B 396 145.095 235.455 227.937 1.00 67.10 O +ATOM 14644 CB GLN B 396 146.073 236.668 230.379 1.00 74.27 C +ATOM 14645 CG GLN B 396 146.686 236.885 231.758 1.00 90.58 C +ATOM 14646 CD GLN B 396 148.115 237.393 231.698 1.00 99.54 C +ATOM 14647 OE1 GLN B 396 148.564 237.909 230.674 1.00100.60 O +ATOM 14648 NE2 GLN B 396 148.839 237.244 232.801 1.00103.74 N +ATOM 14649 H GLN B 396 146.438 234.138 230.239 1.00 66.44 H +ATOM 14650 HA GLN B 396 144.359 235.714 230.982 1.00 71.44 H +ATOM 14651 HB2 GLN B 396 146.794 236.467 229.762 1.00 89.12 H +ATOM 14652 HB3 GLN B 396 145.635 237.493 230.116 1.00 89.12 H +ATOM 14653 HG2 GLN B 396 146.156 237.539 232.239 1.00108.70 H +ATOM 14654 HG3 GLN B 396 146.688 236.042 232.238 1.00108.70 H +ATOM 14655 HE21 GLN B 396 148.493 236.876 233.497 1.00124.49 H +ATOM 14656 HE22 GLN B 396 149.655 237.515 232.820 1.00124.49 H +ATOM 14657 N ILE B 397 143.071 235.448 228.920 1.00 75.32 N +ATOM 14658 CA ILE B 397 142.321 235.541 227.669 1.00 93.67 C +ATOM 14659 C ILE B 397 141.581 236.872 227.633 1.00 93.94 C +ATOM 14660 O ILE B 397 140.782 237.172 228.517 1.00 90.26 O +ATOM 14661 CB ILE B 397 141.306 234.396 227.496 1.00 79.91 C +ATOM 14662 CG1 ILE B 397 141.940 233.039 227.820 1.00 70.08 C +ATOM 14663 CG2 ILE B 397 140.745 234.403 226.076 1.00 63.53 C +ATOM 14664 CD1 ILE B 397 143.041 232.623 226.882 1.00 70.44 C +ATOM 14665 H ILE B 397 142.574 235.373 229.618 1.00 90.38 H +ATOM 14666 HA ILE B 397 142.940 235.515 226.922 1.00112.40 H +ATOM 14667 HB ILE B 397 140.572 234.545 228.114 1.00 95.89 H +ATOM 14668 HG12 ILE B 397 142.315 233.077 228.714 1.00 84.10 H +ATOM 14669 HG13 ILE B 397 141.251 232.358 227.785 1.00 84.10 H +ATOM 14670 HG21 ILE B 397 140.109 233.677 225.985 1.00 76.24 H +ATOM 14671 HG22 ILE B 397 140.305 235.252 225.915 1.00 76.24 H +ATOM 14672 HG23 ILE B 397 141.475 234.284 225.449 1.00 76.24 H +ATOM 14673 HD11 ILE B 397 143.383 231.759 227.160 1.00 84.52 H +ATOM 14674 HD12 ILE B 397 142.683 232.564 225.982 1.00 84.52 H +ATOM 14675 HD13 ILE B 397 143.750 233.285 226.914 1.00 84.52 H +ATOM 14676 N HIS B 398 141.856 237.659 226.599 1.00 88.35 N +ATOM 14677 CA HIS B 398 141.304 239.000 226.471 1.00104.68 C +ATOM 14678 C HIS B 398 141.664 239.845 227.698 1.00 97.27 C +ATOM 14679 O HIS B 398 142.773 240.369 227.784 1.00114.09 O +ATOM 14680 CB HIS B 398 139.787 238.949 226.261 1.00114.51 C +ATOM 14681 CG HIS B 398 139.190 240.263 225.860 1.00107.52 C +ATOM 14682 ND1 HIS B 398 139.940 241.413 225.737 1.00107.74 N +ATOM 14683 CD2 HIS B 398 137.919 240.608 225.545 1.00107.07 C +ATOM 14684 CE1 HIS B 398 139.157 242.410 225.368 1.00 83.63 C +ATOM 14685 NE2 HIS B 398 137.926 241.949 225.244 1.00 97.75 N +ATOM 14686 H HIS B 398 142.370 237.433 225.947 1.00106.03 H +ATOM 14687 HA HIS B 398 141.697 239.426 225.693 1.00125.62 H +ATOM 14688 HB2 HIS B 398 139.590 238.308 225.560 1.00137.41 H +ATOM 14689 HB3 HIS B 398 139.366 238.672 227.089 1.00137.41 H +ATOM 14690 HD2 HIS B 398 137.180 240.043 225.535 1.00128.48 H +ATOM 14691 HE1 HIS B 398 139.426 243.288 225.221 1.00100.35 H +ATOM 14692 HE2 HIS B 398 137.239 242.412 225.013 1.00117.30 H +ATOM 14693 N ASP B 399 140.737 239.969 228.644 1.00 91.23 N +ATOM 14694 CA ASP B 399 140.944 240.791 229.834 1.00 86.09 C +ATOM 14695 C ASP B 399 140.578 240.030 231.106 1.00 77.84 C +ATOM 14696 O ASP B 399 140.419 240.631 232.170 1.00105.30 O +ATOM 14697 CB ASP B 399 140.121 242.077 229.736 1.00102.39 C +ATOM 14698 CG ASP B 399 138.649 241.809 229.492 1.00114.63 C +ATOM 14699 OD1 ASP B 399 138.324 240.730 228.954 1.00116.05 O +ATOM 14700 OD2 ASP B 399 137.822 242.679 229.834 1.00120.41 O +ATOM 14701 H ASP B 399 139.970 239.582 228.620 1.00109.47 H +ATOM 14702 HA ASP B 399 141.881 241.037 229.889 1.00103.31 H +ATOM 14703 HB2 ASP B 399 140.203 242.569 230.568 1.00122.86 H +ATOM 14704 HB3 ASP B 399 140.456 242.612 228.999 1.00122.86 H +ATOM 14705 N GLN B 400 140.449 238.710 230.992 1.00 85.49 N +ATOM 14706 CA GLN B 400 140.109 237.860 232.129 1.00 78.77 C +ATOM 14707 C GLN B 400 141.260 236.918 232.467 1.00 67.45 C +ATOM 14708 O GLN B 400 141.987 236.469 231.581 1.00 75.69 O +ATOM 14709 CB GLN B 400 138.843 237.051 231.839 1.00 74.36 C +ATOM 14710 CG GLN B 400 137.643 237.898 231.436 1.00 90.21 C +ATOM 14711 CD GLN B 400 136.356 237.096 231.369 1.00 77.48 C +ATOM 14712 OE1 GLN B 400 136.057 236.305 232.263 1.00 79.28 O +ATOM 14713 NE2 GLN B 400 135.590 237.293 230.303 1.00 77.25 N +ATOM 14714 H GLN B 400 140.554 238.278 230.256 1.00102.59 H +ATOM 14715 HA GLN B 400 139.939 238.419 232.903 1.00 94.52 H +ATOM 14716 HB2 GLN B 400 139.027 236.435 231.113 1.00 89.23 H +ATOM 14717 HB3 GLN B 400 138.601 236.555 232.636 1.00 89.23 H +ATOM 14718 HG2 GLN B 400 137.522 238.606 232.088 1.00108.26 H +ATOM 14719 HG3 GLN B 400 137.805 238.280 230.559 1.00108.26 H +ATOM 14720 HE21 GLN B 400 135.833 237.852 229.696 1.00 92.70 H +ATOM 14721 HE22 GLN B 400 134.851 236.862 230.219 1.00 92.70 H +ATOM 14722 N LYS B 401 141.419 236.628 233.755 1.00 62.99 N +ATOM 14723 CA LYS B 401 142.443 235.700 234.226 1.00 55.66 C +ATOM 14724 C LYS B 401 141.806 234.423 234.758 1.00 61.07 C +ATOM 14725 O LYS B 401 140.772 234.469 235.423 1.00 60.39 O +ATOM 14726 CB LYS B 401 143.305 236.347 235.313 1.00 61.80 C +ATOM 14727 CG LYS B 401 144.216 237.459 234.808 1.00 80.43 C +ATOM 14728 CD LYS B 401 145.236 237.858 235.865 1.00 95.90 C +ATOM 14729 CE LYS B 401 146.169 238.949 235.363 1.00106.65 C +ATOM 14730 NZ LYS B 401 145.464 240.245 235.168 1.00114.19 N +ATOM 14731 H LYS B 401 140.938 236.961 234.386 1.00 75.58 H +ATOM 14732 HA LYS B 401 143.022 235.463 233.484 1.00 66.79 H +ATOM 14733 HB2 LYS B 401 142.722 236.728 235.988 1.00 74.16 H +ATOM 14734 HB3 LYS B 401 143.867 235.664 235.713 1.00 74.16 H +ATOM 14735 HG2 LYS B 401 144.694 237.150 234.023 1.00 96.52 H +ATOM 14736 HG3 LYS B 401 143.681 238.238 234.591 1.00 96.52 H +ATOM 14737 HD2 LYS B 401 144.772 238.192 236.647 1.00115.08 H +ATOM 14738 HD3 LYS B 401 145.773 237.084 236.098 1.00115.08 H +ATOM 14739 HE2 LYS B 401 146.877 239.086 236.012 1.00127.99 H +ATOM 14740 HE3 LYS B 401 146.545 238.679 234.511 1.00127.99 H +ATOM 14741 HZ1 LYS B 401 146.036 240.861 234.875 1.00137.03 H +ATOM 14742 HZ2 LYS B 401 144.811 240.149 234.570 1.00137.03 H +ATOM 14743 HZ3 LYS B 401 145.113 240.520 235.938 1.00137.03 H +ATOM 14744 N TYR B 402 142.428 233.289 234.454 1.00 64.33 N +ATOM 14745 CA TYR B 402 141.938 231.988 234.899 1.00 52.93 C +ATOM 14746 C TYR B 402 143.027 231.205 235.621 1.00 55.83 C +ATOM 14747 O TYR B 402 144.126 231.042 235.095 1.00 65.95 O +ATOM 14748 CB TYR B 402 141.430 231.171 233.710 1.00 54.07 C +ATOM 14749 CG TYR B 402 140.362 231.858 232.897 1.00 58.07 C +ATOM 14750 CD1 TYR B 402 139.027 231.795 233.274 1.00 54.82 C +ATOM 14751 CD2 TYR B 402 140.685 232.563 231.747 1.00 56.69 C +ATOM 14752 CE1 TYR B 402 138.047 232.419 232.533 1.00 53.26 C +ATOM 14753 CE2 TYR B 402 139.712 233.190 230.999 1.00 62.03 C +ATOM 14754 CZ TYR B 402 138.397 233.113 231.398 1.00 60.68 C +ATOM 14755 OH TYR B 402 137.424 233.735 230.658 1.00 53.20 O +ATOM 14756 H TYR B 402 143.147 233.245 233.984 1.00 77.19 H +ATOM 14757 HA TYR B 402 141.199 232.119 235.514 1.00 63.52 H +ATOM 14758 HB2 TYR B 402 142.176 230.984 233.119 1.00 64.89 H +ATOM 14759 HB3 TYR B 402 141.059 230.338 234.041 1.00 64.89 H +ATOM 14760 HD1 TYR B 402 138.790 231.326 234.042 1.00 65.78 H +ATOM 14761 HD2 TYR B 402 141.574 232.615 231.477 1.00 68.03 H +ATOM 14762 HE1 TYR B 402 137.157 232.371 232.797 1.00 63.91 H +ATOM 14763 HE2 TYR B 402 139.942 233.661 230.231 1.00 74.44 H +ATOM 14764 HH TYR B 402 137.769 234.120 229.996 1.00 63.84 H +ATOM 14765 N ASN B 403 142.725 230.720 236.822 1.00 53.26 N +ATOM 14766 CA ASN B 403 143.628 229.792 237.492 1.00 57.37 C +ATOM 14767 C ASN B 403 143.455 228.413 236.865 1.00 64.63 C +ATOM 14768 O ASN B 403 142.648 228.241 235.953 1.00 53.61 O +ATOM 14769 CB ASN B 403 143.388 229.759 239.013 1.00 62.07 C +ATOM 14770 CG ASN B 403 141.988 229.288 239.400 1.00 55.69 C +ATOM 14771 OD1 ASN B 403 141.365 228.482 238.714 1.00 59.48 O +ATOM 14772 ND2 ASN B 403 141.500 229.785 240.529 1.00 57.59 N +ATOM 14773 H ASN B 403 142.013 230.910 237.265 1.00 63.92 H +ATOM 14774 HA ASN B 403 144.543 230.077 237.341 1.00 68.84 H +ATOM 14775 HB2 ASN B 403 144.027 229.153 239.418 1.00 74.48 H +ATOM 14776 HB3 ASN B 403 143.510 230.653 239.369 1.00 74.48 H +ATOM 14777 HD21 ASN B 403 140.716 229.555 240.797 1.00 69.11 H +ATOM 14778 HD22 ASN B 403 141.969 230.336 240.994 1.00 69.11 H +ATOM 14779 N TYR B 404 144.211 227.433 237.343 1.00 69.91 N +ATOM 14780 CA TYR B 404 144.159 226.099 236.762 1.00 70.58 C +ATOM 14781 C TYR B 404 142.829 225.410 237.039 1.00 70.13 C +ATOM 14782 O TYR B 404 142.313 224.685 236.191 1.00 54.94 O +ATOM 14783 CB TYR B 404 145.312 225.249 237.289 1.00 62.78 C +ATOM 14784 CG TYR B 404 146.622 225.560 236.609 1.00 73.23 C +ATOM 14785 CD1 TYR B 404 147.368 226.670 236.977 1.00 77.80 C +ATOM 14786 CD2 TYR B 404 147.103 224.754 235.589 1.00 64.54 C +ATOM 14787 CE1 TYR B 404 148.559 226.963 236.353 1.00 57.16 C +ATOM 14788 CE2 TYR B 404 148.293 225.039 234.960 1.00 55.66 C +ATOM 14789 CZ TYR B 404 149.016 226.145 235.346 1.00 65.33 C +ATOM 14790 OH TYR B 404 150.203 226.435 234.725 1.00 58.62 O +ATOM 14791 H TYR B 404 144.760 227.514 238.000 1.00 83.89 H +ATOM 14792 HA TYR B 404 144.260 226.172 235.800 1.00 84.70 H +ATOM 14793 HB2 TYR B 404 145.420 225.416 238.239 1.00 75.34 H +ATOM 14794 HB3 TYR B 404 145.110 224.312 237.138 1.00 75.34 H +ATOM 14795 HD1 TYR B 404 147.060 227.224 237.657 1.00 93.36 H +ATOM 14796 HD2 TYR B 404 146.614 224.007 235.327 1.00 77.45 H +ATOM 14797 HE1 TYR B 404 149.052 227.708 236.611 1.00 68.59 H +ATOM 14798 HE2 TYR B 404 148.607 224.489 234.279 1.00 66.79 H +ATOM 14799 HH TYR B 404 150.539 227.131 235.056 1.00 70.34 H +ATOM 14800 N GLN B 405 142.278 225.652 238.224 1.00 82.92 N +ATOM 14801 CA GLN B 405 141.042 225.003 238.643 1.00 70.82 C +ATOM 14802 C GLN B 405 139.895 225.277 237.671 1.00 64.04 C +ATOM 14803 O GLN B 405 139.050 224.413 237.442 1.00 67.56 O +ATOM 14804 CB GLN B 405 140.651 225.471 240.045 1.00 85.35 C +ATOM 14805 CG GLN B 405 139.691 224.539 240.760 1.00 96.65 C +ATOM 14806 CD GLN B 405 140.361 223.259 241.217 1.00103.78 C +ATOM 14807 OE1 GLN B 405 140.258 222.221 240.562 1.00104.43 O +ATOM 14808 NE2 GLN B 405 141.053 223.327 242.348 1.00106.85 N +ATOM 14809 H GLN B 405 142.604 226.193 238.808 1.00 99.50 H +ATOM 14810 HA GLN B 405 141.184 224.044 238.676 1.00 84.98 H +ATOM 14811 HB2 GLN B 405 141.453 225.541 240.586 1.00102.42 H +ATOM 14812 HB3 GLN B 405 140.225 226.340 239.976 1.00102.42 H +ATOM 14813 HG2 GLN B 405 139.335 224.989 241.542 1.00115.98 H +ATOM 14814 HG3 GLN B 405 138.970 224.302 240.156 1.00115.98 H +ATOM 14815 HE21 GLN B 405 141.102 224.070 242.779 1.00128.22 H +ATOM 14816 HE22 GLN B 405 141.452 222.628 242.651 1.00128.22 H +ATOM 14817 N GLN B 406 139.875 226.479 237.105 1.00 56.30 N +ATOM 14818 CA GLN B 406 138.766 226.917 236.262 1.00 57.51 C +ATOM 14819 C GLN B 406 139.110 226.931 234.776 1.00 55.14 C +ATOM 14820 O GLN B 406 138.225 227.074 233.933 1.00 49.85 O +ATOM 14821 CB GLN B 406 138.303 228.310 236.704 1.00 67.25 C +ATOM 14822 CG GLN B 406 139.361 229.410 236.572 1.00 61.42 C +ATOM 14823 CD GLN B 406 139.179 230.589 237.541 1.00 62.55 C +ATOM 14824 OE1 GLN B 406 139.818 231.620 237.372 1.00 63.99 O +ATOM 14825 NE2 GLN B 406 138.324 230.446 238.551 1.00 68.85 N +ATOM 14826 H GLN B 406 140.497 227.065 237.194 1.00 67.56 H +ATOM 14827 HA GLN B 406 138.023 226.307 236.385 1.00 69.01 H +ATOM 14828 HB2 GLN B 406 137.541 228.570 236.163 1.00 80.70 H +ATOM 14829 HB3 GLN B 406 138.040 228.267 237.637 1.00 80.70 H +ATOM 14830 HG2 GLN B 406 140.234 229.023 236.741 1.00 73.70 H +ATOM 14831 HG3 GLN B 406 139.330 229.764 235.669 1.00 73.70 H +ATOM 14832 HE21 GLN B 406 137.892 229.709 238.647 1.00 82.63 H +ATOM 14833 HE22 GLN B 406 138.204 231.091 239.108 1.00 82.63 H +ATOM 14834 N PHE B 407 140.391 226.773 234.455 1.00 61.84 N +ATOM 14835 CA PHE B 407 140.837 226.744 233.064 1.00 59.05 C +ATOM 14836 C PHE B 407 140.797 225.324 232.504 1.00 53.23 C +ATOM 14837 O PHE B 407 140.437 225.114 231.348 1.00 53.99 O +ATOM 14838 CB PHE B 407 142.252 227.318 232.942 1.00 69.06 C +ATOM 14839 CG PHE B 407 142.708 227.521 231.524 1.00 69.08 C +ATOM 14840 CD1 PHE B 407 142.143 228.511 230.737 1.00 53.81 C +ATOM 14841 CD2 PHE B 407 143.713 226.734 230.984 1.00 69.37 C +ATOM 14842 CE1 PHE B 407 142.564 228.705 229.435 1.00 54.02 C +ATOM 14843 CE2 PHE B 407 144.141 226.927 229.682 1.00 51.20 C +ATOM 14844 CZ PHE B 407 143.565 227.911 228.908 1.00 54.05 C +ATOM 14845 H PHE B 407 141.026 226.679 235.027 1.00 74.21 H +ATOM 14846 HA PHE B 407 140.242 227.294 232.530 1.00 70.86 H +ATOM 14847 HB2 PHE B 407 142.279 228.178 233.388 1.00 82.88 H +ATOM 14848 HB3 PHE B 407 142.873 226.707 233.368 1.00 82.88 H +ATOM 14849 HD1 PHE B 407 141.469 229.048 231.087 1.00 64.57 H +ATOM 14850 HD2 PHE B 407 144.104 226.069 231.503 1.00 83.24 H +ATOM 14851 HE1 PHE B 407 142.176 229.371 228.914 1.00 64.82 H +ATOM 14852 HE2 PHE B 407 144.813 226.390 229.329 1.00 61.44 H +ATOM 14853 HZ PHE B 407 143.850 228.041 228.032 1.00 64.86 H +ATOM 14854 N ILE B 408 141.158 224.353 233.335 1.00 53.47 N +ATOM 14855 CA ILE B 408 141.216 222.955 232.917 1.00 62.77 C +ATOM 14856 C ILE B 408 139.826 222.381 232.634 1.00 64.99 C +ATOM 14857 O ILE B 408 138.888 222.581 233.404 1.00 60.72 O +ATOM 14858 CB ILE B 408 141.946 222.100 233.989 1.00 53.02 C +ATOM 14859 CG1 ILE B 408 143.427 221.964 233.630 1.00 54.79 C +ATOM 14860 CG2 ILE B 408 141.345 220.701 234.118 1.00 59.02 C +ATOM 14861 CD1 ILE B 408 144.147 223.283 233.442 1.00 62.17 C +ATOM 14862 H ILE B 408 141.377 224.478 234.158 1.00 64.16 H +ATOM 14863 HA ILE B 408 141.730 222.899 232.096 1.00 75.32 H +ATOM 14864 HB ILE B 408 141.874 222.549 234.846 1.00 63.63 H +ATOM 14865 HG12 ILE B 408 143.876 221.481 234.341 1.00 65.75 H +ATOM 14866 HG13 ILE B 408 143.501 221.468 232.800 1.00 65.75 H +ATOM 14867 HG21 ILE B 408 141.833 220.209 234.797 1.00 70.83 H +ATOM 14868 HG22 ILE B 408 140.412 220.780 234.374 1.00 70.83 H +ATOM 14869 HG23 ILE B 408 141.417 220.246 233.264 1.00 70.83 H +ATOM 14870 HD11 ILE B 408 145.074 223.108 233.218 1.00 74.61 H +ATOM 14871 HD12 ILE B 408 143.720 223.777 232.724 1.00 74.61 H +ATOM 14872 HD13 ILE B 408 144.096 223.790 234.268 1.00 74.61 H +ATOM 14873 N TYR B 409 139.718 221.672 231.511 1.00 80.41 N +ATOM 14874 CA TYR B 409 138.489 220.988 231.100 1.00 71.83 C +ATOM 14875 C TYR B 409 137.303 221.938 230.890 1.00 52.96 C +ATOM 14876 O TYR B 409 136.159 221.497 230.838 1.00 66.17 O +ATOM 14877 CB TYR B 409 138.109 219.904 232.124 1.00 72.83 C +ATOM 14878 CG TYR B 409 138.930 218.637 232.017 1.00 63.13 C +ATOM 14879 CD1 TYR B 409 138.955 217.902 230.841 1.00 68.38 C +ATOM 14880 CD2 TYR B 409 139.662 218.166 233.097 1.00 65.67 C +ATOM 14881 CE1 TYR B 409 139.699 216.741 230.738 1.00 64.61 C +ATOM 14882 CE2 TYR B 409 140.410 217.007 233.004 1.00 68.36 C +ATOM 14883 CZ TYR B 409 140.424 216.299 231.822 1.00 66.62 C +ATOM 14884 OH TYR B 409 141.163 215.145 231.720 1.00 60.88 O +ATOM 14885 H TYR B 409 140.364 221.570 230.952 1.00 96.49 H +ATOM 14886 HA TYR B 409 138.656 220.542 230.255 1.00 86.19 H +ATOM 14887 HB2 TYR B 409 138.234 220.262 233.017 1.00 87.40 H +ATOM 14888 HB3 TYR B 409 137.178 219.665 231.994 1.00 87.40 H +ATOM 14889 HD1 TYR B 409 138.469 218.199 230.106 1.00 82.05 H +ATOM 14890 HD2 TYR B 409 139.656 218.643 233.895 1.00 78.80 H +ATOM 14891 HE1 TYR B 409 139.710 216.261 229.941 1.00 77.53 H +ATOM 14892 HE2 TYR B 409 140.899 216.706 233.736 1.00 82.03 H +ATOM 14893 HH TYR B 409 141.554 214.990 232.446 1.00 73.06 H +ATOM 14894 N ASN B 410 137.584 223.231 230.742 1.00 60.63 N +ATOM 14895 CA ASN B 410 136.537 224.227 230.521 1.00 73.55 C +ATOM 14896 C ASN B 410 136.521 224.725 229.076 1.00 61.83 C +ATOM 14897 O ASN B 410 137.220 225.677 228.731 1.00 62.82 O +ATOM 14898 CB ASN B 410 136.721 225.409 231.479 1.00 71.44 C +ATOM 14899 CG ASN B 410 135.500 226.313 231.538 1.00 95.41 C +ATOM 14900 OD1 ASN B 410 134.601 226.224 230.704 1.00119.29 O +ATOM 14901 ND2 ASN B 410 135.470 227.197 232.531 1.00 95.10 N +ATOM 14902 H ASN B 410 138.378 223.559 230.765 1.00 72.76 H +ATOM 14903 HA ASN B 410 135.675 223.823 230.707 1.00 88.26 H +ATOM 14904 HB2 ASN B 410 136.886 225.069 232.373 1.00 85.73 H +ATOM 14905 HB3 ASN B 410 137.475 225.942 231.183 1.00 85.73 H +ATOM 14906 HD21 ASN B 410 136.117 227.227 233.096 1.00114.12 H +ATOM 14907 N ASN B 411 135.710 224.089 228.236 1.00 65.13 N +ATOM 14908 CA ASN B 411 135.595 224.487 226.834 1.00 86.11 C +ATOM 14909 C ASN B 411 134.648 225.667 226.619 1.00 77.40 C +ATOM 14910 O ASN B 411 134.611 226.244 225.531 1.00 58.25 O +ATOM 14911 CB ASN B 411 135.132 223.302 225.985 1.00 76.02 C +ATOM 14912 CG ASN B 411 136.220 222.266 225.785 1.00 69.75 C +ATOM 14913 OD1 ASN B 411 137.397 222.602 225.646 1.00 62.25 O +ATOM 14914 ND2 ASN B 411 135.831 220.997 225.769 1.00 62.92 N +ATOM 14915 H ASN B 411 135.213 223.422 228.453 1.00 78.16 H +ATOM 14916 HA ASN B 411 136.472 224.753 226.516 1.00103.33 H +ATOM 14917 HB2 ASN B 411 134.383 222.870 226.426 1.00 91.23 H +ATOM 14918 HB3 ASN B 411 134.861 223.625 225.112 1.00 91.23 H +ATOM 14919 HD21 ASN B 411 136.410 220.371 225.659 1.00 75.51 H +ATOM 14920 HD22 ASN B 411 135.000 220.801 225.869 1.00 75.51 H +ATOM 14921 N SER B 412 133.884 226.026 227.644 1.00 75.52 N +ATOM 14922 CA SER B 412 132.998 227.177 227.540 1.00 72.27 C +ATOM 14923 C SER B 412 133.834 228.441 227.380 1.00 68.44 C +ATOM 14924 O SER B 412 133.410 229.399 226.736 1.00 56.56 O +ATOM 14925 CB SER B 412 132.089 227.285 228.763 1.00 68.34 C +ATOM 14926 OG SER B 412 132.542 228.297 229.641 1.00 71.38 O +ATOM 14927 H SER B 412 133.860 225.623 228.403 1.00 90.63 H +ATOM 14928 HA SER B 412 132.439 227.081 226.753 1.00 86.72 H +ATOM 14929 HB2 SER B 412 131.190 227.501 228.470 1.00 82.00 H +ATOM 14930 HB3 SER B 412 132.090 226.436 229.233 1.00 82.00 H +ATOM 14931 HG SER B 412 133.321 228.123 229.902 1.00 85.66 H +ATOM 14932 N ILE B 413 135.026 228.432 227.970 1.00 63.22 N +ATOM 14933 CA ILE B 413 135.973 229.529 227.809 1.00 58.75 C +ATOM 14934 C ILE B 413 136.280 229.737 226.331 1.00 55.40 C +ATOM 14935 O ILE B 413 136.360 230.870 225.854 1.00 44.92 O +ATOM 14936 CB ILE B 413 137.286 229.263 228.582 1.00 53.69 C +ATOM 14937 CG1 ILE B 413 137.012 229.258 230.088 1.00 47.40 C +ATOM 14938 CG2 ILE B 413 138.349 230.315 228.233 1.00 65.47 C +ATOM 14939 CD1 ILE B 413 138.228 228.955 230.947 1.00 51.44 C +ATOM 14940 H ILE B 413 135.312 227.796 228.472 1.00 75.87 H +ATOM 14941 HA ILE B 413 135.578 230.344 228.154 1.00 70.50 H +ATOM 14942 HB ILE B 413 137.622 228.390 228.327 1.00 64.43 H +ATOM 14943 HG12 ILE B 413 136.680 230.132 230.347 1.00 56.88 H +ATOM 14944 HG13 ILE B 413 136.342 228.583 230.279 1.00 56.88 H +ATOM 14945 HG21 ILE B 413 139.158 230.122 228.732 1.00 78.57 H +ATOM 14946 HG22 ILE B 413 138.530 230.277 227.281 1.00 78.57 H +ATOM 14947 HG23 ILE B 413 138.014 231.193 228.472 1.00 78.57 H +ATOM 14948 HD11 ILE B 413 137.967 228.972 231.881 1.00 61.73 H +ATOM 14949 HD12 ILE B 413 138.568 228.077 230.714 1.00 61.73 H +ATOM 14950 HD13 ILE B 413 138.907 229.628 230.781 1.00 61.73 H +ATOM 14951 N LEU B 414 136.451 228.634 225.612 1.00 57.80 N +ATOM 14952 CA LEU B 414 136.765 228.689 224.191 1.00 66.32 C +ATOM 14953 C LEU B 414 135.612 229.316 223.403 1.00 62.54 C +ATOM 14954 O LEU B 414 135.828 230.178 222.551 1.00 50.12 O +ATOM 14955 CB LEU B 414 137.073 227.285 223.666 1.00 63.30 C +ATOM 14956 CG LEU B 414 137.642 227.192 222.249 1.00 59.98 C +ATOM 14957 CD1 LEU B 414 139.004 227.859 222.172 1.00 46.57 C +ATOM 14958 CD2 LEU B 414 137.734 225.738 221.813 1.00 61.48 C +ATOM 14959 H LEU B 414 136.390 227.836 225.927 1.00 69.36 H +ATOM 14960 HA LEU B 414 137.553 229.239 224.061 1.00 79.59 H +ATOM 14961 HB2 LEU B 414 137.718 226.874 224.262 1.00 75.97 H +ATOM 14962 HB3 LEU B 414 136.251 226.770 223.679 1.00 75.97 H +ATOM 14963 HG LEU B 414 137.047 227.652 221.638 1.00 71.97 H +ATOM 14964 HD11 LEU B 414 139.341 227.785 221.266 1.00 55.88 H +ATOM 14965 HD12 LEU B 414 138.912 228.794 222.416 1.00 55.88 H +ATOM 14966 HD13 LEU B 414 139.609 227.415 222.787 1.00 55.88 H +ATOM 14967 HD21 LEU B 414 138.097 225.700 220.914 1.00 73.77 H +ATOM 14968 HD22 LEU B 414 138.316 225.261 222.425 1.00 73.77 H +ATOM 14969 HD23 LEU B 414 136.846 225.347 221.829 1.00 73.77 H +ATOM 14970 N LEU B 415 134.390 228.882 223.696 1.00 62.83 N +ATOM 14971 CA LEU B 415 133.207 229.425 223.036 1.00 66.63 C +ATOM 14972 C LEU B 415 132.971 230.873 223.442 1.00 58.27 C +ATOM 14973 O LEU B 415 132.565 231.699 222.626 1.00 50.08 O +ATOM 14974 CB LEU B 415 131.972 228.589 223.371 1.00 67.53 C +ATOM 14975 CG LEU B 415 131.975 227.126 222.925 1.00 56.97 C +ATOM 14976 CD1 LEU B 415 130.607 226.513 223.175 1.00 49.47 C +ATOM 14977 CD2 LEU B 415 132.368 226.989 221.461 1.00 54.54 C +ATOM 14978 H LEU B 415 134.218 228.271 224.276 1.00 75.39 H +ATOM 14979 HA LEU B 415 133.339 229.399 222.075 1.00 79.96 H +ATOM 14980 HB2 LEU B 415 131.859 228.593 224.334 1.00 81.03 H +ATOM 14981 HB3 LEU B 415 131.202 229.011 222.958 1.00 81.03 H +ATOM 14982 HG LEU B 415 132.623 226.636 223.455 1.00 68.37 H +ATOM 14983 HD11 LEU B 415 130.620 225.586 222.889 1.00 59.36 H +ATOM 14984 HD12 LEU B 415 130.407 226.564 224.122 1.00 59.36 H +ATOM 14985 HD13 LEU B 415 129.943 227.006 222.668 1.00 59.36 H +ATOM 14986 HD21 LEU B 415 132.357 226.050 221.218 1.00 65.44 H +ATOM 14987 HD22 LEU B 415 131.731 227.479 220.916 1.00 65.44 H +ATOM 14988 HD23 LEU B 415 133.258 227.353 221.338 1.00 65.44 H +ATOM 14989 N GLU B 416 133.225 231.160 224.712 1.00 55.07 N +ATOM 14990 CA GLU B 416 133.042 232.495 225.268 1.00 52.39 C +ATOM 14991 C GLU B 416 133.831 233.552 224.497 1.00 58.91 C +ATOM 14992 O GLU B 416 133.292 234.602 224.146 1.00 60.56 O +ATOM 14993 CB GLU B 416 133.458 232.491 226.742 1.00 59.11 C +ATOM 14994 CG GLU B 416 133.311 233.819 227.464 1.00 59.22 C +ATOM 14995 CD GLU B 416 133.624 233.705 228.948 1.00 72.45 C +ATOM 14996 OE1 GLU B 416 133.533 232.582 229.497 1.00 91.41 O +ATOM 14997 OE2 GLU B 416 133.966 234.735 229.566 1.00 75.09 O +ATOM 14998 H GLU B 416 133.511 230.586 225.285 1.00 66.08 H +ATOM 14999 HA GLU B 416 132.102 232.730 225.223 1.00 62.87 H +ATOM 15000 HB2 GLU B 416 132.914 231.841 227.213 1.00 70.93 H +ATOM 15001 HB3 GLU B 416 134.391 232.232 226.796 1.00 70.93 H +ATOM 15002 HG2 GLU B 416 133.925 234.462 227.075 1.00 71.07 H +ATOM 15003 HG3 GLU B 416 132.398 234.131 227.371 1.00 71.07 H +ATOM 15004 N HIS B 417 135.101 233.260 224.224 1.00 53.85 N +ATOM 15005 CA HIS B 417 135.997 234.223 223.588 1.00 43.00 C +ATOM 15006 C HIS B 417 136.178 233.981 222.092 1.00 45.82 C +ATOM 15007 O HIS B 417 136.400 234.922 221.331 1.00 46.14 O +ATOM 15008 CB HIS B 417 137.362 234.188 224.270 1.00 49.17 C +ATOM 15009 CG HIS B 417 137.317 234.544 225.720 1.00 49.98 C +ATOM 15010 ND1 HIS B 417 137.301 235.849 226.165 1.00 59.13 N +ATOM 15011 CD2 HIS B 417 137.286 233.767 226.829 1.00 50.77 C +ATOM 15012 CE1 HIS B 417 137.263 235.860 227.485 1.00 58.09 C +ATOM 15013 NE2 HIS B 417 137.251 234.610 227.912 1.00 50.14 N +ATOM 15014 H HIS B 417 135.471 232.504 224.399 1.00 64.62 H +ATOM 15015 HA HIS B 417 135.630 235.114 223.702 1.00 51.60 H +ATOM 15016 HB2 HIS B 417 137.727 233.292 224.195 1.00 59.00 H +ATOM 15017 HB3 HIS B 417 137.949 234.820 223.827 1.00 59.00 H +ATOM 15018 HD1 HIS B 417 137.315 236.546 225.662 1.00 70.95 H +ATOM 15019 HD2 HIS B 417 137.287 232.838 226.852 1.00 60.93 H +ATOM 15020 HE1 HIS B 417 137.244 236.619 228.023 1.00 69.70 H +ATOM 15021 N GLY B 418 136.095 232.721 221.676 1.00 50.24 N +ATOM 15022 CA GLY B 418 136.312 232.364 220.285 1.00 44.06 C +ATOM 15023 C GLY B 418 137.791 232.218 219.978 1.00 43.01 C +ATOM 15024 O GLY B 418 138.635 232.680 220.744 1.00 45.08 O +ATOM 15025 H GLY B 418 135.912 232.053 222.185 1.00 60.29 H +ATOM 15026 HA2 GLY B 418 135.870 231.523 220.091 1.00 52.87 H +ATOM 15027 HA3 GLY B 418 135.941 233.051 219.710 1.00 52.87 H +ATOM 15028 N ILE B 419 138.103 231.580 218.854 1.00 44.95 N +ATOM 15029 CA ILE B 419 139.487 231.287 218.498 1.00 52.24 C +ATOM 15030 C ILE B 419 140.309 232.557 218.301 1.00 44.25 C +ATOM 15031 O ILE B 419 141.456 232.623 218.736 1.00 45.85 O +ATOM 15032 CB ILE B 419 139.568 230.432 217.211 1.00 46.57 C +ATOM 15033 CG1 ILE B 419 138.860 229.087 217.409 1.00 45.66 C +ATOM 15034 CG2 ILE B 419 141.025 230.204 216.789 1.00 44.10 C +ATOM 15035 CD1 ILE B 419 139.491 228.190 218.454 1.00 36.35 C +ATOM 15036 H ILE B 419 137.528 231.305 218.277 1.00 53.95 H +ATOM 15037 HA ILE B 419 139.894 230.779 219.217 1.00 62.69 H +ATOM 15038 HB ILE B 419 139.116 230.911 216.498 1.00 55.88 H +ATOM 15039 HG12 ILE B 419 137.945 229.256 217.681 1.00 54.79 H +ATOM 15040 HG13 ILE B 419 138.867 228.606 216.567 1.00 54.79 H +ATOM 15041 HG21 ILE B 419 141.039 229.666 215.982 1.00 52.92 H +ATOM 15042 HG22 ILE B 419 141.443 231.063 216.622 1.00 52.92 H +ATOM 15043 HG23 ILE B 419 141.491 229.742 217.503 1.00 52.92 H +ATOM 15044 HD11 ILE B 419 138.981 227.367 218.512 1.00 43.63 H +ATOM 15045 HD12 ILE B 419 140.404 227.996 218.194 1.00 43.63 H +ATOM 15046 HD13 ILE B 419 139.480 228.647 219.310 1.00 43.63 H +ATOM 15047 N THR B 420 139.727 233.554 217.643 1.00 45.21 N +ATOM 15048 CA THR B 420 140.439 234.796 217.351 1.00 46.77 C +ATOM 15049 C THR B 420 141.018 235.424 218.612 1.00 45.48 C +ATOM 15050 O THR B 420 142.197 235.773 218.654 1.00 48.77 O +ATOM 15051 CB THR B 420 139.520 235.825 216.665 1.00 47.54 C +ATOM 15052 OG1 THR B 420 139.017 235.274 215.444 1.00 42.44 O +ATOM 15053 CG2 THR B 420 140.278 237.114 216.354 1.00 44.68 C +ATOM 15054 H THR B 420 138.918 233.537 217.352 1.00 54.26 H +ATOM 15055 HA THR B 420 141.174 234.603 216.749 1.00 56.13 H +ATOM 15056 HB THR B 420 138.779 236.039 217.252 1.00 57.04 H +ATOM 15057 HG1 THR B 420 139.654 235.085 214.930 1.00 50.93 H +ATOM 15058 HG21 THR B 420 139.686 237.750 215.923 1.00 53.62 H +ATOM 15059 HG22 THR B 420 140.617 237.505 217.174 1.00 53.62 H +ATOM 15060 HG23 THR B 420 141.024 236.926 215.763 1.00 53.62 H +ATOM 15061 N GLN B 421 140.187 235.559 219.638 1.00 46.60 N +ATOM 15062 CA GLN B 421 140.613 236.171 220.888 1.00 51.51 C +ATOM 15063 C GLN B 421 141.691 235.333 221.576 1.00 46.48 C +ATOM 15064 O GLN B 421 142.589 235.873 222.221 1.00 57.35 O +ATOM 15065 CB GLN B 421 139.415 236.359 221.819 1.00 48.70 C +ATOM 15066 CG GLN B 421 139.721 237.159 223.073 1.00 61.93 C +ATOM 15067 CD GLN B 421 140.261 238.542 222.763 1.00 90.32 C +ATOM 15068 OE1 GLN B 421 141.465 238.787 222.857 1.00 71.70 O +ATOM 15069 NE2 GLN B 421 139.372 239.455 222.390 1.00 99.45 N +ATOM 15070 H GLN B 421 139.366 235.303 219.635 1.00 55.92 H +ATOM 15071 HA GLN B 421 140.988 237.046 220.700 1.00 61.82 H +ATOM 15072 HB2 GLN B 421 138.715 236.825 221.335 1.00 58.43 H +ATOM 15073 HB3 GLN B 421 139.095 235.486 222.096 1.00 58.43 H +ATOM 15074 HG2 GLN B 421 138.906 237.263 223.589 1.00 74.31 H +ATOM 15075 HG3 GLN B 421 140.387 236.686 223.595 1.00 74.31 H +ATOM 15076 HE21 GLN B 421 138.540 239.247 222.334 1.00119.34 H +ATOM 15077 HE22 GLN B 421 139.629 240.254 222.203 1.00119.34 H +ATOM 15078 N PHE B 422 141.596 234.015 221.436 1.00 51.81 N +ATOM 15079 CA PHE B 422 142.586 233.108 222.009 1.00 47.76 C +ATOM 15080 C PHE B 422 143.967 233.343 221.407 1.00 40.52 C +ATOM 15081 O PHE B 422 144.959 233.447 222.127 1.00 32.01 O +ATOM 15082 CB PHE B 422 142.169 231.654 221.788 1.00 50.24 C +ATOM 15083 CG PHE B 422 141.552 231.008 222.992 1.00 54.08 C +ATOM 15084 CD1 PHE B 422 140.358 231.477 223.511 1.00 52.82 C +ATOM 15085 CD2 PHE B 422 142.161 229.924 223.598 1.00 43.08 C +ATOM 15086 CE1 PHE B 422 139.790 230.880 224.617 1.00 52.61 C +ATOM 15087 CE2 PHE B 422 141.596 229.325 224.703 1.00 53.72 C +ATOM 15088 CZ PHE B 422 140.409 229.803 225.213 1.00 58.19 C +ATOM 15089 H PHE B 422 140.963 233.618 221.010 1.00 62.17 H +ATOM 15090 HA PHE B 422 142.644 233.263 222.964 1.00 57.31 H +ATOM 15091 HB2 PHE B 422 141.519 231.621 221.069 1.00 60.29 H +ATOM 15092 HB3 PHE B 422 142.953 231.137 221.544 1.00 60.29 H +ATOM 15093 HD1 PHE B 422 139.937 232.204 223.112 1.00 63.38 H +ATOM 15094 HD2 PHE B 422 142.963 229.598 223.258 1.00 51.69 H +ATOM 15095 HE1 PHE B 422 138.988 231.204 224.960 1.00 63.14 H +ATOM 15096 HE2 PHE B 422 142.015 228.598 225.104 1.00 64.46 H +ATOM 15097 HZ PHE B 422 140.027 229.399 225.959 1.00 69.82 H +ATOM 15098 N VAL B 423 144.019 233.420 220.081 1.00 39.06 N +ATOM 15099 CA VAL B 423 145.270 233.629 219.361 1.00 43.63 C +ATOM 15100 C VAL B 423 145.893 234.976 219.721 1.00 52.74 C +ATOM 15101 O VAL B 423 147.098 235.065 219.951 1.00 59.00 O +ATOM 15102 CB VAL B 423 145.048 233.548 217.835 1.00 41.18 C +ATOM 15103 CG1 VAL B 423 146.325 233.888 217.071 1.00 51.94 C +ATOM 15104 CG2 VAL B 423 144.553 232.161 217.448 1.00 37.52 C +ATOM 15105 H VAL B 423 143.332 233.353 219.569 1.00 46.87 H +ATOM 15106 HA VAL B 423 145.897 232.932 219.610 1.00 52.36 H +ATOM 15107 HB VAL B 423 144.367 234.190 217.581 1.00 49.41 H +ATOM 15108 HG11 VAL B 423 146.148 233.827 216.119 1.00 62.33 H +ATOM 15109 HG12 VAL B 423 146.598 234.790 217.300 1.00 62.33 H +ATOM 15110 HG13 VAL B 423 147.019 233.258 217.320 1.00 62.33 H +ATOM 15111 HG21 VAL B 423 144.420 232.130 216.488 1.00 45.02 H +ATOM 15112 HG22 VAL B 423 145.217 231.505 217.712 1.00 45.02 H +ATOM 15113 HG23 VAL B 423 143.715 231.987 217.905 1.00 45.02 H +ATOM 15114 N GLU B 424 145.072 236.020 219.768 1.00 51.71 N +ATOM 15115 CA GLU B 424 145.554 237.354 220.110 1.00 56.22 C +ATOM 15116 C GLU B 424 146.107 237.380 221.530 1.00 51.91 C +ATOM 15117 O GLU B 424 147.147 237.985 221.795 1.00 48.60 O +ATOM 15118 CB GLU B 424 144.435 238.388 219.963 1.00 51.61 C +ATOM 15119 CG GLU B 424 144.011 238.634 218.525 1.00 69.14 C +ATOM 15120 CD GLU B 424 142.858 239.613 218.407 1.00 72.34 C +ATOM 15121 OE1 GLU B 424 142.006 239.651 219.321 1.00 49.59 O +ATOM 15122 OE2 GLU B 424 142.808 240.346 217.398 1.00 51.81 O +ATOM 15123 H GLU B 424 144.228 235.983 219.606 1.00 62.05 H +ATOM 15124 HA GLU B 424 146.271 237.597 219.503 1.00 67.46 H +ATOM 15125 HB2 GLU B 424 143.657 238.078 220.452 1.00 61.93 H +ATOM 15126 HB3 GLU B 424 144.740 239.233 220.331 1.00 61.93 H +ATOM 15127 HG2 GLU B 424 144.764 238.997 218.032 1.00 82.97 H +ATOM 15128 HG3 GLU B 424 143.732 237.793 218.130 1.00 82.97 H +ATOM 15129 N SER B 425 145.403 236.714 222.437 1.00 43.05 N +ATOM 15130 CA SER B 425 145.812 236.657 223.831 1.00 55.70 C +ATOM 15131 C SER B 425 147.101 235.859 224.007 1.00 57.66 C +ATOM 15132 O SER B 425 148.082 236.363 224.552 1.00 56.53 O +ATOM 15133 CB SER B 425 144.702 236.042 224.682 1.00 61.64 C +ATOM 15134 OG SER B 425 143.543 236.856 224.677 1.00 71.83 O +ATOM 15135 H SER B 425 144.678 236.284 222.267 1.00 51.66 H +ATOM 15136 HA SER B 425 145.971 237.559 224.151 1.00 66.83 H +ATOM 15137 HB2 SER B 425 144.476 235.171 224.323 1.00 73.97 H +ATOM 15138 HB3 SER B 425 145.019 235.952 225.595 1.00 73.97 H +ATOM 15139 HG SER B 425 143.256 236.943 223.893 1.00 86.20 H +ATOM 15140 N PHE B 426 147.090 234.612 223.546 1.00 53.09 N +ATOM 15141 CA PHE B 426 148.232 233.717 223.712 1.00 52.71 C +ATOM 15142 C PHE B 426 149.486 234.244 223.031 1.00 43.37 C +ATOM 15143 O PHE B 426 150.590 234.034 223.523 1.00 38.87 O +ATOM 15144 CB PHE B 426 147.909 232.323 223.165 1.00 51.67 C +ATOM 15145 CG PHE B 426 146.952 231.530 224.015 1.00 46.88 C +ATOM 15146 CD1 PHE B 426 146.654 231.915 225.313 1.00 45.81 C +ATOM 15147 CD2 PHE B 426 146.357 230.387 223.512 1.00 48.87 C +ATOM 15148 CE1 PHE B 426 145.784 231.178 226.083 1.00 47.59 C +ATOM 15149 CE2 PHE B 426 145.483 229.648 224.281 1.00 50.14 C +ATOM 15150 CZ PHE B 426 145.195 230.044 225.567 1.00 47.35 C +ATOM 15151 H PHE B 426 146.427 234.256 223.129 1.00 63.71 H +ATOM 15152 HA PHE B 426 148.424 233.628 224.658 1.00 63.25 H +ATOM 15153 HB2 PHE B 426 147.513 232.418 222.285 1.00 62.00 H +ATOM 15154 HB3 PHE B 426 148.734 231.816 223.100 1.00 62.00 H +ATOM 15155 HD1 PHE B 426 147.047 232.679 225.668 1.00 54.98 H +ATOM 15156 HD2 PHE B 426 146.548 230.115 222.643 1.00 58.65 H +ATOM 15157 HE1 PHE B 426 145.590 231.448 226.952 1.00 57.10 H +ATOM 15158 HE2 PHE B 426 145.087 228.882 223.931 1.00 60.17 H +ATOM 15159 HZ PHE B 426 144.606 229.547 226.087 1.00 56.81 H +ATOM 15160 N THR B 427 149.319 234.919 221.901 1.00 43.11 N +ATOM 15161 CA THR B 427 150.454 235.493 221.196 1.00 42.57 C +ATOM 15162 C THR B 427 151.154 236.528 222.077 1.00 45.05 C +ATOM 15163 O THR B 427 152.355 236.748 221.955 1.00 50.56 O +ATOM 15164 CB THR B 427 150.023 236.144 219.866 1.00 44.97 C +ATOM 15165 OG1 THR B 427 149.415 235.155 219.026 1.00 44.55 O +ATOM 15166 CG2 THR B 427 151.219 236.751 219.132 1.00 45.24 C +ATOM 15167 H THR B 427 148.559 235.058 221.523 1.00 51.74 H +ATOM 15168 HA THR B 427 151.091 234.789 220.995 1.00 51.08 H +ATOM 15169 HB THR B 427 149.384 236.851 220.045 1.00 53.97 H +ATOM 15170 HG1 THR B 427 148.741 234.831 219.406 1.00 53.46 H +ATOM 15171 HG21 THR B 427 150.927 237.154 218.299 1.00 54.29 H +ATOM 15172 HG22 THR B 427 151.636 237.431 219.683 1.00 54.29 H +ATOM 15173 HG23 THR B 427 151.872 236.060 218.935 1.00 54.29 H +ATOM 15174 N ARG B 428 150.397 237.144 222.980 1.00 50.75 N +ATOM 15175 CA ARG B 428 150.925 238.201 223.838 1.00 52.47 C +ATOM 15176 C ARG B 428 151.465 237.692 225.176 1.00 43.20 C +ATOM 15177 O ARG B 428 152.276 238.365 225.808 1.00 48.37 O +ATOM 15178 CB ARG B 428 149.845 239.253 224.105 1.00 63.94 C +ATOM 15179 CG ARG B 428 149.650 240.251 222.973 1.00 66.66 C +ATOM 15180 CD ARG B 428 148.792 241.422 223.413 1.00 80.98 C +ATOM 15181 NE ARG B 428 147.476 240.991 223.889 1.00 97.91 N +ATOM 15182 CZ ARG B 428 146.971 241.235 225.097 1.00112.37 C +ATOM 15183 NH1 ARG B 428 147.653 241.928 226.002 1.00116.36 N +ATOM 15184 NH2 ARG B 428 145.762 240.786 225.405 1.00117.03 N +ATOM 15185 H ARG B 428 149.566 236.967 223.116 1.00 60.90 H +ATOM 15186 HA ARG B 428 151.655 238.639 223.375 1.00 62.97 H +ATOM 15187 HB2 ARG B 428 148.999 238.800 224.248 1.00 76.73 H +ATOM 15188 HB3 ARG B 428 150.088 239.752 224.900 1.00 76.73 H +ATOM 15189 HG2 ARG B 428 150.514 240.593 222.695 1.00 79.99 H +ATOM 15190 HG3 ARG B 428 149.208 239.811 222.230 1.00 79.99 H +ATOM 15191 HD2 ARG B 428 149.238 241.888 224.138 1.00 97.18 H +ATOM 15192 HD3 ARG B 428 148.661 242.021 222.661 1.00 97.18 H +ATOM 15193 HE ARG B 428 146.987 240.541 223.342 1.00117.49 H +ATOM 15194 HH11 ARG B 428 148.438 242.225 225.814 1.00139.64 H +ATOM 15195 HH12 ARG B 428 147.311 242.078 226.776 1.00139.64 H +ATOM 15196 HH21 ARG B 428 145.310 240.338 224.827 1.00140.44 H +ATOM 15197 HH22 ARG B 428 145.430 240.943 226.182 1.00140.44 H +ATOM 15198 N GLN B 429 151.023 236.515 225.609 1.00 42.13 N +ATOM 15199 CA GLN B 429 151.392 236.020 226.935 1.00 39.18 C +ATOM 15200 C GLN B 429 152.695 235.228 226.927 1.00 42.26 C +ATOM 15201 O GLN B 429 152.844 234.275 226.170 1.00 43.66 O +ATOM 15202 CB GLN B 429 150.280 235.150 227.515 1.00 40.39 C +ATOM 15203 CG GLN B 429 150.623 234.611 228.895 1.00 40.48 C +ATOM 15204 CD GLN B 429 149.420 234.096 229.653 1.00 43.94 C +ATOM 15205 OE1 GLN B 429 148.322 233.984 229.106 1.00 44.94 O +ATOM 15206 NE2 GLN B 429 149.621 233.779 230.926 1.00 40.49 N +ATOM 15207 H GLN B 429 150.513 235.987 225.161 1.00 50.55 H +ATOM 15208 HA GLN B 429 151.513 236.779 227.527 1.00 47.02 H +ATOM 15209 HB2 GLN B 429 149.471 235.679 227.592 1.00 48.46 H +ATOM 15210 HB3 GLN B 429 150.130 234.394 226.926 1.00 48.46 H +ATOM 15211 HG2 GLN B 429 151.251 233.878 228.799 1.00 48.58 H +ATOM 15212 HG3 GLN B 429 151.024 235.323 229.419 1.00 48.58 H +ATOM 15213 HE21 GLN B 429 150.401 233.872 231.274 1.00 48.59 H +ATOM 15214 HE22 GLN B 429 148.970 233.482 231.403 1.00 48.59 H +ATOM 15215 N ILE B 430 153.620 235.622 227.797 1.00 49.15 N +ATOM 15216 CA ILE B 430 154.934 234.995 227.884 1.00 46.75 C +ATOM 15217 C ILE B 430 154.855 233.636 228.575 1.00 50.85 C +ATOM 15218 O ILE B 430 154.050 233.440 229.485 1.00 44.61 O +ATOM 15219 CB ILE B 430 155.935 235.903 228.649 1.00 43.87 C +ATOM 15220 CG1 ILE B 430 157.376 235.433 228.445 1.00 48.74 C +ATOM 15221 CG2 ILE B 430 155.596 235.968 230.135 1.00 38.70 C +ATOM 15222 CD1 ILE B 430 158.096 236.154 227.341 1.00 48.03 C +ATOM 15223 H ILE B 430 153.508 236.265 228.357 1.00 58.98 H +ATOM 15224 HA ILE B 430 155.279 234.856 226.988 1.00 56.10 H +ATOM 15225 HB ILE B 430 155.860 236.800 228.287 1.00 52.65 H +ATOM 15226 HG12 ILE B 430 157.871 235.578 229.267 1.00 58.49 H +ATOM 15227 HG13 ILE B 430 157.369 234.488 228.228 1.00 58.49 H +ATOM 15228 HG21 ILE B 430 156.239 236.542 230.580 1.00 46.44 H +ATOM 15229 HG22 ILE B 430 154.702 236.329 230.239 1.00 46.44 H +ATOM 15230 HG23 ILE B 430 155.637 235.073 230.507 1.00 46.44 H +ATOM 15231 HD11 ILE B 430 158.998 235.804 227.272 1.00 57.63 H +ATOM 15232 HD12 ILE B 430 157.620 236.010 226.508 1.00 57.63 H +ATOM 15233 HD13 ILE B 430 158.123 237.101 227.548 1.00 57.63 H +ATOM 15234 N ALA B 431 155.693 232.702 228.131 1.00 42.42 N +ATOM 15235 CA ALA B 431 155.831 231.405 228.783 1.00 44.98 C +ATOM 15236 C ALA B 431 157.025 231.426 229.727 1.00 39.46 C +ATOM 15237 O ALA B 431 157.795 232.385 229.741 1.00 39.73 O +ATOM 15238 CB ALA B 431 155.985 230.303 227.754 1.00 46.08 C +ATOM 15239 H ALA B 431 156.200 232.799 227.443 1.00 50.90 H +ATOM 15240 HA ALA B 431 155.034 231.224 229.305 1.00 53.98 H +ATOM 15241 HB1 ALA B 431 156.075 229.453 228.213 1.00 55.29 H +ATOM 15242 HB2 ALA B 431 155.200 230.290 227.184 1.00 55.29 H +ATOM 15243 HB3 ALA B 431 156.778 230.477 227.222 1.00 55.29 H +ATOM 15244 N GLY B 432 157.177 230.364 230.512 1.00 38.55 N +ATOM 15245 CA GLY B 432 158.254 230.277 231.482 1.00 41.84 C +ATOM 15246 C GLY B 432 159.508 229.634 230.918 1.00 42.84 C +ATOM 15247 O GLY B 432 159.461 228.960 229.891 1.00 31.23 O +ATOM 15248 H GLY B 432 156.662 229.675 230.500 1.00 46.26 H +ATOM 15249 HA2 GLY B 432 158.481 231.169 231.790 1.00 50.21 H +ATOM 15250 HA3 GLY B 432 157.959 229.755 232.244 1.00 50.21 H +ATOM 15251 N ARG B 433 160.630 229.848 231.599 1.00 35.86 N +ATOM 15252 CA ARG B 433 161.903 229.253 231.209 1.00 39.45 C +ATOM 15253 C ARG B 433 161.953 227.787 231.633 1.00 42.79 C +ATOM 15254 O ARG B 433 161.654 227.458 232.779 1.00 34.98 O +ATOM 15255 CB ARG B 433 163.066 230.026 231.832 1.00 38.95 C +ATOM 15256 CG ARG B 433 164.421 229.691 231.245 1.00 46.27 C +ATOM 15257 CD ARG B 433 165.528 230.455 231.947 1.00 44.44 C +ATOM 15258 NE ARG B 433 166.602 230.818 231.028 1.00 56.48 N +ATOM 15259 CZ ARG B 433 167.653 231.564 231.358 1.00 59.06 C +ATOM 15260 NH1 ARG B 433 167.782 232.029 232.594 1.00 67.91 N +ATOM 15261 NH2 ARG B 433 168.576 231.844 230.449 1.00 39.01 N +ATOM 15262 H ARG B 433 160.680 230.343 232.301 1.00 43.03 H +ATOM 15263 HA ARG B 433 161.994 229.294 230.244 1.00 47.34 H +ATOM 15264 HB2 ARG B 433 162.914 230.975 231.701 1.00 46.74 H +ATOM 15265 HB3 ARG B 433 163.098 229.828 232.781 1.00 46.74 H +ATOM 15266 HG2 ARG B 433 164.591 228.742 231.352 1.00 55.53 H +ATOM 15267 HG3 ARG B 433 164.433 229.931 230.306 1.00 55.53 H +ATOM 15268 HD2 ARG B 433 165.164 231.270 232.324 1.00 53.33 H +ATOM 15269 HD3 ARG B 433 165.905 229.900 232.648 1.00 53.33 H +ATOM 15270 HE ARG B 433 166.552 230.531 230.219 1.00 67.78 H +ATOM 15271 HH11 ARG B 433 167.184 231.850 233.185 1.00 81.49 H +ATOM 15272 HH12 ARG B 433 168.463 232.510 232.803 1.00 81.49 H +ATOM 15273 HH21 ARG B 433 168.496 231.544 229.648 1.00 46.81 H +ATOM 15274 HH22 ARG B 433 169.257 232.325 230.662 1.00 46.81 H +ATOM 15275 N VAL B 434 162.337 226.910 230.710 1.00 43.45 N +ATOM 15276 CA VAL B 434 162.316 225.473 230.968 1.00 46.99 C +ATOM 15277 C VAL B 434 163.516 225.037 231.806 1.00 35.86 C +ATOM 15278 O VAL B 434 163.351 224.397 232.843 1.00 40.64 O +ATOM 15279 CB VAL B 434 162.274 224.677 229.653 1.00 38.83 C +ATOM 15280 CG1 VAL B 434 162.445 223.174 229.907 1.00 37.20 C +ATOM 15281 CG2 VAL B 434 160.959 224.940 228.938 1.00 35.43 C +ATOM 15282 H VAL B 434 162.614 227.122 229.924 1.00 52.14 H +ATOM 15283 HA VAL B 434 161.513 225.259 231.469 1.00 56.39 H +ATOM 15284 HB VAL B 434 162.997 224.972 229.077 1.00 46.60 H +ATOM 15285 HG11 VAL B 434 162.413 222.705 229.059 1.00 44.64 H +ATOM 15286 HG12 VAL B 434 163.301 223.022 230.338 1.00 44.64 H +ATOM 15287 HG13 VAL B 434 161.726 222.868 230.482 1.00 44.64 H +ATOM 15288 HG21 VAL B 434 160.943 224.434 228.111 1.00 42.52 H +ATOM 15289 HG22 VAL B 434 160.227 224.662 229.511 1.00 42.52 H +ATOM 15290 HG23 VAL B 434 160.888 225.889 228.747 1.00 42.52 H +ATOM 15291 N ALA B 435 164.719 225.374 231.355 1.00 36.76 N +ATOM 15292 CA ALA B 435 165.924 225.077 232.118 1.00 39.02 C +ATOM 15293 C ALA B 435 166.153 226.159 233.167 1.00 44.21 C +ATOM 15294 O ALA B 435 165.498 227.198 233.143 1.00 45.30 O +ATOM 15295 CB ALA B 435 167.124 224.966 231.200 1.00 47.81 C +ATOM 15296 H ALA B 435 164.864 225.776 230.609 1.00 44.11 H +ATOM 15297 HA ALA B 435 165.812 224.229 232.576 1.00 46.83 H +ATOM 15298 HB1 ALA B 435 167.910 224.768 231.732 1.00 57.37 H +ATOM 15299 HB2 ALA B 435 166.967 224.252 230.562 1.00 57.37 H +ATOM 15300 HB3 ALA B 435 167.242 225.808 230.733 1.00 57.37 H +ATOM 15301 N GLY B 436 167.080 225.908 234.086 1.00 39.21 N +ATOM 15302 CA GLY B 436 167.459 226.894 235.081 1.00 43.45 C +ATOM 15303 C GLY B 436 166.932 226.585 236.469 1.00 42.72 C +ATOM 15304 O GLY B 436 167.308 227.243 237.439 1.00 46.15 O +ATOM 15305 H GLY B 436 167.507 225.165 234.151 1.00 47.05 H +ATOM 15306 HA2 GLY B 436 168.426 226.945 235.128 1.00 52.14 H +ATOM 15307 HA3 GLY B 436 167.121 227.763 234.815 1.00 52.14 H +ATOM 15308 N GLY B 437 166.051 225.593 236.564 1.00 46.84 N +ATOM 15309 CA GLY B 437 165.572 225.114 237.848 1.00 44.90 C +ATOM 15310 C GLY B 437 164.444 225.927 238.450 1.00 40.62 C +ATOM 15311 O GLY B 437 164.233 227.087 238.095 1.00 37.91 O +ATOM 15312 H GLY B 437 165.714 225.180 235.889 1.00 56.21 H +ATOM 15313 HA2 GLY B 437 165.263 224.201 237.747 1.00 53.88 H +ATOM 15314 HA3 GLY B 437 166.310 225.114 238.478 1.00 53.88 H +ATOM 15315 N ARG B 438 163.711 225.291 239.361 1.00 41.96 N +ATOM 15316 CA ARG B 438 162.694 225.950 240.179 1.00 41.78 C +ATOM 15317 C ARG B 438 161.726 226.813 239.374 1.00 39.14 C +ATOM 15318 O ARG B 438 161.601 228.011 239.622 1.00 43.14 O +ATOM 15319 CB ARG B 438 163.375 226.801 241.255 1.00 38.76 C +ATOM 15320 CG ARG B 438 164.073 225.972 242.309 1.00 46.88 C +ATOM 15321 CD ARG B 438 165.047 226.789 243.125 1.00 43.70 C +ATOM 15322 NE ARG B 438 165.599 226.007 244.226 1.00 50.21 N +ATOM 15323 CZ ARG B 438 166.646 226.373 244.956 1.00 67.54 C +ATOM 15324 NH1 ARG B 438 167.271 227.516 244.702 1.00 94.84 N +ATOM 15325 NH2 ARG B 438 167.073 225.592 245.938 1.00 63.31 N +ATOM 15326 H ARG B 438 163.787 224.451 239.529 1.00 50.35 H +ATOM 15327 HA ARG B 438 162.172 225.269 240.630 1.00 50.14 H +ATOM 15328 HB2 ARG B 438 164.038 227.369 240.834 1.00 46.51 H +ATOM 15329 HB3 ARG B 438 162.705 227.345 241.697 1.00 46.51 H +ATOM 15330 HG2 ARG B 438 163.410 225.602 242.912 1.00 56.26 H +ATOM 15331 HG3 ARG B 438 164.566 225.258 241.876 1.00 56.26 H +ATOM 15332 HD2 ARG B 438 165.780 227.076 242.557 1.00 52.44 H +ATOM 15333 HD3 ARG B 438 164.588 227.558 243.497 1.00 52.44 H +ATOM 15334 HE ARG B 438 165.221 225.258 244.416 1.00 60.26 H +ATOM 15335 HH11 ARG B 438 166.996 228.024 244.065 1.00113.81 H +ATOM 15336 HH12 ARG B 438 167.949 227.749 245.176 1.00113.81 H +ATOM 15337 HH21 ARG B 438 166.670 224.851 246.103 1.00 75.97 H +ATOM 15338 HH22 ARG B 438 167.752 225.828 246.410 1.00 75.97 H +ATOM 15339 N ASN B 439 161.042 226.201 238.414 1.00 34.77 N +ATOM 15340 CA ASN B 439 160.067 226.928 237.615 1.00 40.57 C +ATOM 15341 C ASN B 439 158.893 226.060 237.179 1.00 34.60 C +ATOM 15342 O ASN B 439 158.187 226.404 236.233 1.00 33.48 O +ATOM 15343 CB ASN B 439 160.745 227.538 236.385 1.00 39.10 C +ATOM 15344 CG ASN B 439 160.034 228.783 235.884 1.00 42.58 C +ATOM 15345 OD1 ASN B 439 159.507 229.572 236.671 1.00 43.75 O +ATOM 15346 ND2 ASN B 439 160.010 228.961 234.570 1.00 36.50 N +ATOM 15347 H ASN B 439 161.124 225.370 238.208 1.00 41.72 H +ATOM 15348 HA ASN B 439 159.712 227.658 238.147 1.00 48.68 H +ATOM 15349 HB2 ASN B 439 161.655 227.783 236.614 1.00 46.92 H +ATOM 15350 HB3 ASN B 439 160.746 226.884 235.668 1.00 46.92 H +ATOM 15351 HD21 ASN B 439 159.619 229.652 234.237 1.00 43.81 H +ATOM 15352 HD22 ASN B 439 160.384 228.387 234.051 1.00 43.81 H +ATOM 15353 N VAL B 440 158.673 224.950 237.880 1.00 33.71 N +ATOM 15354 CA VAL B 440 157.502 224.112 237.629 1.00 45.68 C +ATOM 15355 C VAL B 440 156.325 224.623 238.461 1.00 34.49 C +ATOM 15356 O VAL B 440 156.433 224.720 239.677 1.00 37.35 O +ATOM 15357 CB VAL B 440 157.760 222.632 237.972 1.00 46.13 C +ATOM 15358 CG1 VAL B 440 156.469 221.813 237.848 1.00 42.32 C +ATOM 15359 CG2 VAL B 440 158.840 222.063 237.061 1.00 49.33 C +ATOM 15360 H VAL B 440 159.186 224.660 238.506 1.00 40.45 H +ATOM 15361 HA VAL B 440 157.261 224.171 236.691 1.00 54.82 H +ATOM 15362 HB VAL B 440 158.072 222.568 238.888 1.00 55.35 H +ATOM 15363 HG11 VAL B 440 156.660 220.888 238.069 1.00 50.79 H +ATOM 15364 HG12 VAL B 440 155.809 222.170 238.463 1.00 50.79 H +ATOM 15365 HG13 VAL B 440 156.142 221.875 236.937 1.00 50.79 H +ATOM 15366 HG21 VAL B 440 158.988 221.133 237.292 1.00 59.20 H +ATOM 15367 HG22 VAL B 440 158.545 222.134 236.140 1.00 59.20 H +ATOM 15368 HG23 VAL B 440 159.657 222.570 237.187 1.00 59.20 H +ATOM 15369 N PRO B 441 155.191 224.947 237.812 1.00 39.44 N +ATOM 15370 CA PRO B 441 154.030 225.414 238.581 1.00 47.65 C +ATOM 15371 C PRO B 441 153.558 224.378 239.603 1.00 51.28 C +ATOM 15372 O PRO B 441 153.543 223.193 239.282 1.00 56.60 O +ATOM 15373 CB PRO B 441 152.960 225.635 237.510 1.00 46.35 C +ATOM 15374 CG PRO B 441 153.696 225.730 236.227 1.00 48.76 C +ATOM 15375 CD PRO B 441 154.901 224.875 236.371 1.00 50.94 C +ATOM 15376 HA PRO B 441 154.226 226.252 239.028 1.00 57.18 H +ATOM 15377 HB2 PRO B 441 152.350 224.881 237.499 1.00 55.62 H +ATOM 15378 HB3 PRO B 441 152.483 226.460 237.691 1.00 55.62 H +ATOM 15379 HG2 PRO B 441 153.134 225.404 235.507 1.00 58.52 H +ATOM 15380 HG3 PRO B 441 153.952 226.652 236.068 1.00 58.52 H +ATOM 15381 HD2 PRO B 441 154.702 223.962 236.111 1.00 61.13 H +ATOM 15382 HD3 PRO B 441 155.639 225.240 235.858 1.00 61.13 H +ATOM 15383 N PRO B 442 153.174 224.814 240.815 1.00 62.21 N +ATOM 15384 CA PRO B 442 152.694 223.864 241.828 1.00 51.91 C +ATOM 15385 C PRO B 442 151.521 223.009 241.355 1.00 47.81 C +ATOM 15386 O PRO B 442 151.340 221.895 241.845 1.00 52.62 O +ATOM 15387 CB PRO B 442 152.265 224.777 242.981 1.00 58.38 C +ATOM 15388 CG PRO B 442 153.090 225.996 242.819 1.00 59.30 C +ATOM 15389 CD PRO B 442 153.243 226.187 241.343 1.00 53.10 C +ATOM 15390 HA PRO B 442 153.417 223.289 242.123 1.00 62.29 H +ATOM 15391 HB2 PRO B 442 151.322 224.986 242.900 1.00 70.06 H +ATOM 15392 HB3 PRO B 442 152.452 224.344 243.829 1.00 70.06 H +ATOM 15393 HG2 PRO B 442 152.632 226.754 243.215 1.00 71.16 H +ATOM 15394 HG3 PRO B 442 153.955 225.862 243.237 1.00 71.16 H +ATOM 15395 HD2 PRO B 442 152.514 226.722 240.994 1.00 63.72 H +ATOM 15396 HD3 PRO B 442 154.105 226.584 241.141 1.00 63.72 H +ATOM 15397 N ALA B 443 150.743 223.529 240.410 1.00 49.87 N +ATOM 15398 CA ALA B 443 149.565 222.828 239.905 1.00 49.67 C +ATOM 15399 C ALA B 443 149.930 221.497 239.247 1.00 54.93 C +ATOM 15400 O ALA B 443 149.219 220.506 239.407 1.00 54.42 O +ATOM 15401 CB ALA B 443 148.818 223.709 238.919 1.00 48.23 C +ATOM 15402 H ALA B 443 150.877 224.295 240.042 1.00 59.84 H +ATOM 15403 HA ALA B 443 148.970 222.640 240.647 1.00 59.61 H +ATOM 15404 HB1 ALA B 443 148.040 223.229 238.594 1.00 57.88 H +ATOM 15405 HB2 ALA B 443 148.540 224.522 239.370 1.00 57.88 H +ATOM 15406 HB3 ALA B 443 149.407 223.925 238.179 1.00 57.88 H +ATOM 15407 N VAL B 444 151.034 221.482 238.506 1.00 56.66 N +ATOM 15408 CA VAL B 444 151.490 220.270 237.829 1.00 57.15 C +ATOM 15409 C VAL B 444 152.744 219.728 238.509 1.00 60.01 C +ATOM 15410 O VAL B 444 153.632 219.170 237.864 1.00 55.66 O +ATOM 15411 CB VAL B 444 151.763 220.529 236.333 1.00 52.84 C +ATOM 15412 CG1 VAL B 444 150.485 220.992 235.646 1.00 47.31 C +ATOM 15413 CG2 VAL B 444 152.871 221.558 236.145 1.00 67.65 C +ATOM 15414 H VAL B 444 151.540 222.165 238.378 1.00 67.99 H +ATOM 15415 HA VAL B 444 150.798 219.594 237.894 1.00 68.58 H +ATOM 15416 HB VAL B 444 152.047 219.701 235.915 1.00 63.41 H +ATOM 15417 HG11 VAL B 444 150.671 221.151 234.707 1.00 56.77 H +ATOM 15418 HG12 VAL B 444 149.809 220.302 235.737 1.00 56.77 H +ATOM 15419 HG13 VAL B 444 150.180 221.812 236.066 1.00 56.77 H +ATOM 15420 HG21 VAL B 444 153.016 221.695 235.195 1.00 81.19 H +ATOM 15421 HG22 VAL B 444 152.602 222.391 236.563 1.00 81.19 H +ATOM 15422 HG23 VAL B 444 153.683 221.227 236.559 1.00 81.19 H +ATOM 15423 N GLN B 445 152.796 219.892 239.825 1.00 63.24 N +ATOM 15424 CA GLN B 445 153.906 219.403 240.632 1.00 56.69 C +ATOM 15425 C GLN B 445 154.008 217.880 240.593 1.00 55.97 C +ATOM 15426 O GLN B 445 155.089 217.330 240.383 1.00 57.20 O +ATOM 15427 CB GLN B 445 153.743 219.884 242.075 1.00 61.55 C +ATOM 15428 CG GLN B 445 154.710 219.264 243.068 1.00 69.18 C +ATOM 15429 CD GLN B 445 154.530 219.810 244.469 1.00 73.43 C +ATOM 15430 OE1 GLN B 445 154.035 220.921 244.656 1.00 72.13 O +ATOM 15431 NE2 GLN B 445 154.926 219.025 245.464 1.00 75.63 N +ATOM 15432 H GLN B 445 152.187 220.291 240.283 1.00 75.89 H +ATOM 15433 HA GLN B 445 154.735 219.769 240.285 1.00 68.03 H +ATOM 15434 HB2 GLN B 445 153.876 220.845 242.098 1.00 73.86 H +ATOM 15435 HB3 GLN B 445 152.844 219.673 242.371 1.00 73.86 H +ATOM 15436 HG2 GLN B 445 154.563 218.305 243.098 1.00 83.02 H +ATOM 15437 HG3 GLN B 445 155.619 219.452 242.786 1.00 83.02 H +ATOM 15438 HE21 GLN B 445 155.264 218.253 245.295 1.00 90.76 H +ATOM 15439 HE22 GLN B 445 154.845 219.290 246.279 1.00 90.76 H +ATOM 15440 N LYS B 446 152.881 217.207 240.800 1.00 56.41 N +ATOM 15441 CA LYS B 446 152.856 215.746 240.858 1.00 68.63 C +ATOM 15442 C LYS B 446 153.176 215.117 239.504 1.00 55.12 C +ATOM 15443 O LYS B 446 153.565 213.953 239.432 1.00 48.32 O +ATOM 15444 CB LYS B 446 151.492 215.257 241.358 1.00 58.88 C +ATOM 15445 CG LYS B 446 151.450 214.975 242.856 1.00 73.01 C +ATOM 15446 CD LYS B 446 151.643 213.492 243.146 1.00 84.91 C +ATOM 15447 CE LYS B 446 152.049 213.240 244.593 1.00 93.26 C +ATOM 15448 NZ LYS B 446 151.099 213.811 245.583 1.00 97.79 N +ATOM 15449 H LYS B 446 152.111 217.574 240.911 1.00 67.69 H +ATOM 15450 HA LYS B 446 153.528 215.448 241.490 1.00 82.35 H +ATOM 15451 HB2 LYS B 446 150.827 215.936 241.165 1.00 70.65 H +ATOM 15452 HB3 LYS B 446 151.267 214.435 240.895 1.00 70.65 H +ATOM 15453 HG2 LYS B 446 152.162 215.466 243.295 1.00 87.61 H +ATOM 15454 HG3 LYS B 446 150.588 215.244 243.208 1.00 87.61 H +ATOM 15455 HD2 LYS B 446 150.810 213.024 242.980 1.00101.89 H +ATOM 15456 HD3 LYS B 446 152.343 213.143 242.571 1.00101.89 H +ATOM 15457 HE2 LYS B 446 152.096 212.283 244.744 1.00111.91 H +ATOM 15458 HE3 LYS B 446 152.918 213.641 244.749 1.00111.91 H +ATOM 15459 HZ1 LYS B 446 151.380 213.637 246.409 1.00117.35 H +ATOM 15460 HZ2 LYS B 446 151.042 214.692 245.476 1.00117.35 H +ATOM 15461 HZ3 LYS B 446 150.292 213.453 245.470 1.00117.35 H +ATOM 15462 N VAL B 447 153.016 215.890 238.435 1.00 52.85 N +ATOM 15463 CA VAL B 447 153.380 215.428 237.102 1.00 49.53 C +ATOM 15464 C VAL B 447 154.896 215.298 237.002 1.00 57.25 C +ATOM 15465 O VAL B 447 155.411 214.336 236.430 1.00 55.03 O +ATOM 15466 CB VAL B 447 152.862 216.383 236.008 1.00 50.44 C +ATOM 15467 CG1 VAL B 447 153.367 215.966 234.634 1.00 64.40 C +ATOM 15468 CG2 VAL B 447 151.344 216.418 236.016 1.00 52.84 C +ATOM 15469 H VAL B 447 152.697 216.688 238.455 1.00 63.42 H +ATOM 15470 HA VAL B 447 152.990 214.553 236.950 1.00 59.43 H +ATOM 15471 HB VAL B 447 153.185 217.280 236.189 1.00 60.53 H +ATOM 15472 HG11 VAL B 447 153.024 216.585 233.971 1.00 77.28 H +ATOM 15473 HG12 VAL B 447 154.337 215.985 234.635 1.00 77.28 H +ATOM 15474 HG13 VAL B 447 153.054 215.068 234.442 1.00 77.28 H +ATOM 15475 HG21 VAL B 447 151.039 217.023 235.322 1.00 63.40 H +ATOM 15476 HG22 VAL B 447 151.007 215.524 235.847 1.00 63.40 H +ATOM 15477 HG23 VAL B 447 151.040 216.727 236.883 1.00 63.40 H +ATOM 15478 N SER B 448 155.606 216.275 237.557 1.00 51.55 N +ATOM 15479 CA SER B 448 157.063 216.231 237.593 1.00 52.89 C +ATOM 15480 C SER B 448 157.535 215.040 238.411 1.00 50.58 C +ATOM 15481 O SER B 448 158.523 214.394 238.068 1.00 49.53 O +ATOM 15482 CB SER B 448 157.632 217.524 238.175 1.00 53.95 C +ATOM 15483 OG SER B 448 157.432 218.609 237.290 1.00 69.74 O +ATOM 15484 H SER B 448 155.267 216.977 237.921 1.00 61.87 H +ATOM 15485 HA SER B 448 157.401 216.131 236.689 1.00 63.47 H +ATOM 15486 HB2 SER B 448 157.186 217.715 239.015 1.00 64.73 H +ATOM 15487 HB3 SER B 448 158.584 217.410 238.324 1.00 64.73 H +ATOM 15488 HG SER B 448 157.749 219.312 237.622 1.00 83.69 H +ATOM 15489 N GLN B 449 156.825 214.753 239.496 1.00 48.96 N +ATOM 15490 CA GLN B 449 157.168 213.621 240.344 1.00 55.86 C +ATOM 15491 C GLN B 449 156.964 212.312 239.590 1.00 53.66 C +ATOM 15492 O GLN B 449 157.771 211.391 239.698 1.00 48.91 O +ATOM 15493 CB GLN B 449 156.332 213.631 241.623 1.00 48.70 C +ATOM 15494 CG GLN B 449 156.809 212.629 242.655 1.00 64.71 C +ATOM 15495 CD GLN B 449 156.109 212.774 243.986 1.00 69.21 C +ATOM 15496 OE1 GLN B 449 155.239 213.626 244.154 1.00 67.50 O +ATOM 15497 NE2 GLN B 449 156.494 211.944 244.947 1.00 80.02 N +ATOM 15498 H GLN B 449 156.139 215.199 239.762 1.00 58.75 H +ATOM 15499 HA GLN B 449 158.103 213.683 240.594 1.00 67.03 H +ATOM 15500 HB2 GLN B 449 156.376 214.514 242.021 1.00 58.44 H +ATOM 15501 HB3 GLN B 449 155.413 213.414 241.400 1.00 58.44 H +ATOM 15502 HG2 GLN B 449 156.642 211.733 242.325 1.00 77.66 H +ATOM 15503 HG3 GLN B 449 157.760 212.757 242.801 1.00 77.66 H +ATOM 15504 HE21 GLN B 449 157.110 211.364 244.794 1.00 96.03 H +ATOM 15505 HE22 GLN B 449 156.126 211.985 245.724 1.00 96.03 H +ATOM 15506 N ALA B 450 155.881 212.241 238.824 1.00 55.02 N +ATOM 15507 CA ALA B 450 155.574 211.051 238.042 1.00 51.16 C +ATOM 15508 C ALA B 450 156.608 210.848 236.939 1.00 52.38 C +ATOM 15509 O ALA B 450 156.920 209.719 236.571 1.00 47.70 O +ATOM 15510 CB ALA B 450 154.182 211.152 237.450 1.00 49.03 C +ATOM 15511 H ALA B 450 155.304 212.873 238.739 1.00 66.02 H +ATOM 15512 HA ALA B 450 155.599 210.275 238.624 1.00 61.39 H +ATOM 15513 HB1 ALA B 450 154.000 210.351 236.934 1.00 58.83 H +ATOM 15514 HB2 ALA B 450 153.538 211.237 238.170 1.00 58.83 H +ATOM 15515 HB3 ALA B 450 154.140 211.932 236.875 1.00 58.83 H +ATOM 15516 N SER B 451 157.138 211.948 236.414 1.00 45.54 N +ATOM 15517 CA SER B 451 158.134 211.878 235.354 1.00 48.65 C +ATOM 15518 C SER B 451 159.447 211.314 235.893 1.00 48.39 C +ATOM 15519 O SER B 451 160.159 210.599 235.188 1.00 54.25 O +ATOM 15520 CB SER B 451 158.357 213.258 234.736 1.00 54.89 C +ATOM 15521 OG SER B 451 159.095 213.164 233.531 1.00 55.90 O +ATOM 15522 H SER B 451 156.936 212.748 236.656 1.00 54.65 H +ATOM 15523 HA SER B 451 157.814 211.283 234.657 1.00 58.38 H +ATOM 15524 HB2 SER B 451 157.496 213.662 234.547 1.00 65.87 H +ATOM 15525 HB3 SER B 451 158.850 213.809 235.364 1.00 65.87 H +ATOM 15526 HG SER B 451 159.209 213.929 233.203 1.00 67.08 H +ATOM 15527 N ILE B 452 159.761 211.635 237.145 1.00 48.46 N +ATOM 15528 CA ILE B 452 160.939 211.085 237.804 1.00 43.85 C +ATOM 15529 C ILE B 452 160.716 209.613 238.132 1.00 46.22 C +ATOM 15530 O ILE B 452 161.544 208.764 237.806 1.00 43.67 O +ATOM 15531 CB ILE B 452 161.284 211.850 239.104 1.00 45.52 C +ATOM 15532 CG1 ILE B 452 161.693 213.291 238.784 1.00 53.11 C +ATOM 15533 CG2 ILE B 452 162.412 211.146 239.870 1.00 39.62 C +ATOM 15534 CD1 ILE B 452 161.900 214.167 240.010 1.00 51.07 C +ATOM 15535 H ILE B 452 159.304 212.173 237.636 1.00 58.16 H +ATOM 15536 HA ILE B 452 161.699 211.150 237.205 1.00 52.62 H +ATOM 15537 HB ILE B 452 160.495 211.872 239.668 1.00 54.63 H +ATOM 15538 HG12 ILE B 452 162.527 213.275 238.289 1.00 63.73 H +ATOM 15539 HG13 ILE B 452 160.999 213.699 238.244 1.00 63.73 H +ATOM 15540 HG21 ILE B 452 162.606 211.647 240.677 1.00 47.55 H +ATOM 15541 HG22 ILE B 452 162.125 210.248 240.098 1.00 47.55 H +ATOM 15542 HG23 ILE B 452 163.200 211.108 239.306 1.00 47.55 H +ATOM 15543 HD11 ILE B 452 162.156 215.057 239.722 1.00 61.29 H +ATOM 15544 HD12 ILE B 452 161.072 214.206 240.513 1.00 61.29 H +ATOM 15545 HD13 ILE B 452 162.602 213.781 240.558 1.00 61.29 H +ATOM 15546 N ASP B 453 159.599 209.321 238.791 1.00 52.18 N +ATOM 15547 CA ASP B 453 159.286 207.961 239.215 1.00 47.04 C +ATOM 15548 C ASP B 453 159.282 206.992 238.040 1.00 46.43 C +ATOM 15549 O ASP B 453 159.807 205.884 238.134 1.00 42.28 O +ATOM 15550 CB ASP B 453 157.925 207.918 239.916 1.00 52.11 C +ATOM 15551 CG ASP B 453 157.956 208.547 241.297 1.00 55.28 C +ATOM 15552 OD1 ASP B 453 159.009 208.481 241.962 1.00 53.75 O +ATOM 15553 OD2 ASP B 453 156.921 209.102 241.719 1.00 53.48 O +ATOM 15554 H ASP B 453 159.000 209.900 239.007 1.00 62.61 H +ATOM 15555 HA ASP B 453 159.959 207.664 239.847 1.00 56.45 H +ATOM 15556 HB2 ASP B 453 157.278 208.402 239.380 1.00 62.53 H +ATOM 15557 HB3 ASP B 453 157.649 206.993 240.014 1.00 62.53 H +ATOM 15558 N GLN B 454 158.693 207.423 236.932 1.00 47.01 N +ATOM 15559 CA GLN B 454 158.535 206.565 235.769 1.00 37.42 C +ATOM 15560 C GLN B 454 159.869 206.324 235.066 1.00 44.64 C +ATOM 15561 O GLN B 454 160.063 205.286 234.436 1.00 39.88 O +ATOM 15562 CB GLN B 454 157.514 207.175 234.809 1.00 46.47 C +ATOM 15563 CG GLN B 454 156.082 207.086 235.328 1.00 47.32 C +ATOM 15564 CD GLN B 454 155.109 207.937 234.538 1.00 42.22 C +ATOM 15565 OE1 GLN B 454 155.422 208.415 233.448 1.00 53.78 O +ATOM 15566 NE2 GLN B 454 153.918 208.135 235.089 1.00 52.58 N +ATOM 15567 H GLN B 454 158.373 208.215 236.829 1.00 56.41 H +ATOM 15568 HA GLN B 454 158.193 205.705 236.059 1.00 44.90 H +ATOM 15569 HB2 GLN B 454 157.727 208.113 234.678 1.00 55.77 H +ATOM 15570 HB3 GLN B 454 157.557 206.704 233.963 1.00 55.77 H +ATOM 15571 HG2 GLN B 454 155.785 206.164 235.273 1.00 56.78 H +ATOM 15572 HG3 GLN B 454 156.062 207.386 236.250 1.00 56.78 H +ATOM 15573 HE21 GLN B 454 153.736 207.787 235.854 1.00 63.10 H +ATOM 15574 HE22 GLN B 454 153.329 208.611 234.682 1.00 63.10 H +ATOM 15575 N SER B 455 160.788 207.279 235.181 1.00 43.69 N +ATOM 15576 CA SER B 455 162.145 207.094 234.676 1.00 36.53 C +ATOM 15577 C SER B 455 162.834 205.944 235.399 1.00 35.83 C +ATOM 15578 O SER B 455 163.555 205.157 234.791 1.00 35.55 O +ATOM 15579 CB SER B 455 162.968 208.372 234.840 1.00 32.69 C +ATOM 15580 OG SER B 455 162.740 209.262 233.765 1.00 48.06 O +ATOM 15581 H SER B 455 160.651 208.045 235.548 1.00 52.43 H +ATOM 15582 HA SER B 455 162.107 206.877 233.732 1.00 43.83 H +ATOM 15583 HB2 SER B 455 162.714 208.807 235.669 1.00 39.23 H +ATOM 15584 HB3 SER B 455 163.910 208.141 234.863 1.00 39.23 H +ATOM 15585 HG SER B 455 162.956 208.897 233.040 1.00 57.68 H +ATOM 15586 N ARG B 456 162.608 205.862 236.705 1.00 37.15 N +ATOM 15587 CA ARG B 456 163.240 204.844 237.533 1.00 38.28 C +ATOM 15588 C ARG B 456 162.614 203.482 237.300 1.00 30.39 C +ATOM 15589 O ARG B 456 163.304 202.465 237.277 1.00 32.51 O +ATOM 15590 CB ARG B 456 163.131 205.221 239.004 1.00 38.21 C +ATOM 15591 CG ARG B 456 163.769 206.549 239.333 1.00 44.23 C +ATOM 15592 CD ARG B 456 163.396 206.994 240.723 1.00 47.49 C +ATOM 15593 NE ARG B 456 164.139 208.180 241.127 1.00 51.12 N +ATOM 15594 CZ ARG B 456 164.053 208.739 242.328 1.00 49.64 C +ATOM 15595 NH1 ARG B 456 163.254 208.218 243.248 1.00 55.31 N +ATOM 15596 NH2 ARG B 456 164.768 209.818 242.608 1.00 56.82 N +ATOM 15597 H ARG B 456 162.086 206.389 237.139 1.00 44.58 H +ATOM 15598 HA ARG B 456 164.181 204.788 237.304 1.00 45.94 H +ATOM 15599 HB2 ARG B 456 162.193 205.274 239.246 1.00 45.85 H +ATOM 15600 HB3 ARG B 456 163.571 204.540 239.536 1.00 45.85 H +ATOM 15601 HG2 ARG B 456 164.734 206.463 239.288 1.00 53.08 H +ATOM 15602 HG3 ARG B 456 163.459 207.219 238.704 1.00 53.08 H +ATOM 15603 HD2 ARG B 456 162.449 207.206 240.748 1.00 56.99 H +ATOM 15604 HD3 ARG B 456 163.596 206.282 241.351 1.00 56.99 H +ATOM 15605 HE ARG B 456 164.630 208.567 240.537 1.00 61.34 H +ATOM 15606 HH11 ARG B 456 162.789 207.517 243.067 1.00 66.37 H +ATOM 15607 HH12 ARG B 456 163.199 208.581 244.026 1.00 66.37 H +ATOM 15608 HH21 ARG B 456 165.287 210.157 242.012 1.00 68.18 H +ATOM 15609 HH22 ARG B 456 164.713 210.180 243.386 1.00 68.18 H +ATOM 15610 N GLN B 457 161.297 203.473 237.139 1.00 33.67 N +ATOM 15611 CA GLN B 457 160.572 202.256 236.816 1.00 33.95 C +ATOM 15612 C GLN B 457 161.065 201.690 235.487 1.00 38.81 C +ATOM 15613 O GLN B 457 161.050 200.478 235.276 1.00 43.46 O +ATOM 15614 CB GLN B 457 159.069 202.532 236.763 1.00 35.65 C +ATOM 15615 CG GLN B 457 158.225 201.339 236.344 1.00 49.49 C +ATOM 15616 CD GLN B 457 156.738 201.589 236.514 1.00 62.09 C +ATOM 15617 OE1 GLN B 457 156.320 202.678 236.914 1.00 53.12 O +ATOM 15618 NE2 GLN B 457 155.931 200.580 236.209 1.00 56.54 N +ATOM 15619 H GLN B 457 160.796 204.168 237.213 1.00 40.40 H +ATOM 15620 HA GLN B 457 160.735 201.594 237.506 1.00 40.74 H +ATOM 15621 HB2 GLN B 457 158.772 202.807 237.645 1.00 42.78 H +ATOM 15622 HB3 GLN B 457 158.906 203.246 236.126 1.00 42.78 H +ATOM 15623 HG2 GLN B 457 158.393 201.146 235.409 1.00 59.39 H +ATOM 15624 HG3 GLN B 457 158.466 200.574 236.890 1.00 59.39 H +ATOM 15625 HE21 GLN B 457 156.259 199.835 235.932 1.00 67.85 H +ATOM 15626 HE22 GLN B 457 155.079 200.671 236.288 1.00 67.85 H +ATOM 15627 N MET B 458 161.512 202.579 234.602 1.00 34.08 N +ATOM 15628 CA MET B 458 162.015 202.188 233.288 1.00 26.10 C +ATOM 15629 C MET B 458 163.539 202.049 233.273 1.00 26.25 C +ATOM 15630 O MET B 458 164.133 201.797 232.228 1.00 30.74 O +ATOM 15631 CB MET B 458 161.571 203.200 232.232 1.00 30.12 C +ATOM 15632 CG MET B 458 160.082 203.154 231.924 1.00 29.12 C +ATOM 15633 SD MET B 458 159.611 204.220 230.548 1.00 34.85 S +ATOM 15634 CE MET B 458 160.046 205.838 231.177 1.00 28.43 C +ATOM 15635 H MET B 458 161.533 203.427 234.741 1.00 40.90 H +ATOM 15636 HA MET B 458 161.626 201.331 233.053 1.00 31.32 H +ATOM 15637 HB2 MET B 458 161.781 204.093 232.548 1.00 36.14 H +ATOM 15638 HB3 MET B 458 162.050 203.022 231.408 1.00 36.14 H +ATOM 15639 HG2 MET B 458 159.836 202.244 231.696 1.00 34.95 H +ATOM 15640 HG3 MET B 458 159.590 203.443 232.708 1.00 34.95 H +ATOM 15641 HE1 MET B 458 159.832 206.505 230.507 1.00 34.11 H +ATOM 15642 HE2 MET B 458 159.540 206.008 231.987 1.00 34.11 H +ATOM 15643 HE3 MET B 458 160.997 205.856 231.371 1.00 34.11 H +ATOM 15644 N LYS B 459 164.164 202.219 234.433 1.00 31.55 N +ATOM 15645 CA LYS B 459 165.592 201.954 234.595 1.00 33.08 C +ATOM 15646 C LYS B 459 166.479 202.821 233.701 1.00 32.20 C +ATOM 15647 O LYS B 459 167.360 202.307 233.014 1.00 34.23 O +ATOM 15648 CB LYS B 459 165.885 200.477 234.313 1.00 43.07 C +ATOM 15649 CG LYS B 459 165.111 199.496 235.194 1.00 41.19 C +ATOM 15650 CD LYS B 459 165.677 199.424 236.602 1.00 57.78 C +ATOM 15651 CE LYS B 459 167.002 198.671 236.640 1.00 70.76 C +ATOM 15652 NZ LYS B 459 167.721 198.856 237.927 1.00 70.67 N +ATOM 15653 H LYS B 459 163.779 202.491 235.152 1.00 37.85 H +ATOM 15654 HA LYS B 459 165.839 202.134 235.516 1.00 39.70 H +ATOM 15655 HB2 LYS B 459 165.657 200.286 233.390 1.00 51.69 H +ATOM 15656 HB3 LYS B 459 166.831 200.316 234.455 1.00 51.69 H +ATOM 15657 HG2 LYS B 459 164.187 199.784 235.254 1.00 49.42 H +ATOM 15658 HG3 LYS B 459 165.160 198.610 234.803 1.00 49.42 H +ATOM 15659 HD2 LYS B 459 165.830 200.323 236.932 1.00 69.34 H +ATOM 15660 HD3 LYS B 459 165.048 198.959 237.176 1.00 69.34 H +ATOM 15661 HE2 LYS B 459 166.831 197.723 236.524 1.00 84.91 H +ATOM 15662 HE3 LYS B 459 167.572 198.997 235.927 1.00 84.91 H +ATOM 15663 HZ1 LYS B 459 168.488 198.404 237.915 1.00 84.80 H +ATOM 15664 HZ2 LYS B 459 167.896 199.719 238.056 1.00 84.80 H +ATOM 15665 HZ3 LYS B 459 167.221 198.559 238.600 1.00 84.80 H +ATOM 15666 N TYR B 460 166.255 204.131 233.716 1.00 28.99 N +ATOM 15667 CA TYR B 460 167.098 205.051 232.959 1.00 27.62 C +ATOM 15668 C TYR B 460 168.515 205.080 233.512 1.00 27.60 C +ATOM 15669 O TYR B 460 168.719 205.019 234.723 1.00 27.76 O +ATOM 15670 CB TYR B 460 166.530 206.474 232.984 1.00 32.58 C +ATOM 15671 CG TYR B 460 165.419 206.748 231.998 1.00 29.73 C +ATOM 15672 CD1 TYR B 460 164.692 205.715 231.429 1.00 31.16 C +ATOM 15673 CD2 TYR B 460 165.106 208.049 231.629 1.00 32.88 C +ATOM 15674 CE1 TYR B 460 163.681 205.970 230.530 1.00 33.03 C +ATOM 15675 CE2 TYR B 460 164.099 208.313 230.728 1.00 23.58 C +ATOM 15676 CZ TYR B 460 163.390 207.270 230.183 1.00 28.21 C +ATOM 15677 OH TYR B 460 162.384 207.527 229.286 1.00 32.52 O +ATOM 15678 H TYR B 460 165.623 204.513 234.157 1.00 34.79 H +ATOM 15679 HA TYR B 460 167.139 204.758 232.035 1.00 33.14 H +ATOM 15680 HB2 TYR B 460 166.180 206.649 233.872 1.00 39.10 H +ATOM 15681 HB3 TYR B 460 167.249 207.096 232.792 1.00 39.10 H +ATOM 15682 HD1 TYR B 460 164.886 204.836 231.663 1.00 37.40 H +ATOM 15683 HD2 TYR B 460 165.585 208.756 231.999 1.00 39.46 H +ATOM 15684 HE1 TYR B 460 163.199 205.268 230.157 1.00 39.63 H +ATOM 15685 HE2 TYR B 460 163.899 209.190 230.492 1.00 28.30 H +ATOM 15686 HH TYR B 460 162.312 208.355 229.164 1.00 39.02 H +ATOM 15687 N GLN B 461 169.492 205.185 232.618 1.00 29.80 N +ATOM 15688 CA GLN B 461 170.865 205.436 233.029 1.00 31.09 C +ATOM 15689 C GLN B 461 170.993 206.885 233.490 1.00 30.55 C +ATOM 15690 O GLN B 461 170.038 207.656 233.406 1.00 30.39 O +ATOM 15691 CB GLN B 461 171.841 205.135 231.890 1.00 30.23 C +ATOM 15692 CG GLN B 461 172.081 203.648 231.678 1.00 33.43 C +ATOM 15693 CD GLN B 461 173.051 203.360 230.553 1.00 31.84 C +ATOM 15694 OE1 GLN B 461 174.171 203.871 230.534 1.00 29.88 O +ATOM 15695 NE2 GLN B 461 172.624 202.535 229.606 1.00 28.29 N +ATOM 15696 H GLN B 461 169.385 205.115 231.768 1.00 35.76 H +ATOM 15697 HA GLN B 461 171.085 204.859 233.777 1.00 37.31 H +ATOM 15698 HB2 GLN B 461 171.484 205.500 231.066 1.00 36.28 H +ATOM 15699 HB3 GLN B 461 172.695 205.549 232.091 1.00 36.28 H +ATOM 15700 HG2 GLN B 461 172.446 203.268 232.492 1.00 40.11 H +ATOM 15701 HG3 GLN B 461 171.237 203.220 231.462 1.00 40.11 H +ATOM 15702 HE21 GLN B 461 171.835 202.197 229.654 1.00 33.94 H +ATOM 15703 HE22 GLN B 461 173.137 202.339 228.944 1.00 33.94 H +ATOM 15704 N SER B 462 172.168 207.254 233.983 1.00 30.51 N +ATOM 15705 CA SER B 462 172.356 208.576 234.563 1.00 34.02 C +ATOM 15706 C SER B 462 172.419 209.670 233.504 1.00 36.49 C +ATOM 15707 O SER B 462 172.590 209.402 232.314 1.00 31.17 O +ATOM 15708 CB SER B 462 173.627 208.611 235.411 1.00 35.87 C +ATOM 15709 OG SER B 462 174.783 208.600 234.595 1.00 36.03 O +ATOM 15710 H SER B 462 172.871 206.759 233.994 1.00 36.61 H +ATOM 15711 HA SER B 462 171.605 208.770 235.146 1.00 40.83 H +ATOM 15712 HB2 SER B 462 173.626 209.420 235.946 1.00 43.04 H +ATOM 15713 HB3 SER B 462 173.641 207.832 235.988 1.00 43.04 H +ATOM 15714 HG SER B 462 175.473 208.619 235.074 1.00 43.24 H +ATOM 15715 N PHE B 463 172.276 210.906 233.965 1.00 34.02 N +ATOM 15716 CA PHE B 463 172.367 212.084 233.116 1.00 32.76 C +ATOM 15717 C PHE B 463 173.698 212.134 232.378 1.00 34.16 C +ATOM 15718 O PHE B 463 173.745 212.441 231.188 1.00 33.23 O +ATOM 15719 CB PHE B 463 172.182 213.340 233.971 1.00 34.65 C +ATOM 15720 CG PHE B 463 172.248 214.626 233.203 1.00 29.95 C +ATOM 15721 CD1 PHE B 463 171.227 214.989 232.345 1.00 37.86 C +ATOM 15722 CD2 PHE B 463 173.316 215.487 233.366 1.00 31.76 C +ATOM 15723 CE1 PHE B 463 171.277 216.181 231.658 1.00 33.77 C +ATOM 15724 CE2 PHE B 463 173.371 216.678 232.678 1.00 37.20 C +ATOM 15725 CZ PHE B 463 172.351 217.025 231.822 1.00 37.85 C +ATOM 15726 H PHE B 463 172.121 211.092 234.790 1.00 40.82 H +ATOM 15727 HA PHE B 463 171.656 212.058 232.457 1.00 39.31 H +ATOM 15728 HB2 PHE B 463 171.314 213.297 234.401 1.00 41.59 H +ATOM 15729 HB3 PHE B 463 172.880 213.363 234.644 1.00 41.59 H +ATOM 15730 HD1 PHE B 463 170.497 214.424 232.231 1.00 45.43 H +ATOM 15731 HD2 PHE B 463 174.007 215.258 233.945 1.00 38.11 H +ATOM 15732 HE1 PHE B 463 170.588 216.413 231.078 1.00 40.53 H +ATOM 15733 HE2 PHE B 463 174.098 217.248 232.790 1.00 44.64 H +ATOM 15734 HZ PHE B 463 172.388 217.828 231.355 1.00 45.42 H +ATOM 15735 N ASN B 464 174.778 211.827 233.087 1.00 31.18 N +ATOM 15736 CA ASN B 464 176.111 211.863 232.495 1.00 31.90 C +ATOM 15737 C ASN B 464 176.299 210.784 231.430 1.00 34.82 C +ATOM 15738 O ASN B 464 177.066 210.970 230.489 1.00 34.38 O +ATOM 15739 CB ASN B 464 177.183 211.717 233.584 1.00 39.18 C +ATOM 15740 CG ASN B 464 177.842 213.044 233.952 1.00 38.78 C +ATOM 15741 OD1 ASN B 464 177.462 214.104 233.454 1.00 33.97 O +ATOM 15742 ND2 ASN B 464 178.834 212.983 234.835 1.00 38.10 N +ATOM 15743 H ASN B 464 174.767 211.595 233.915 1.00 37.42 H +ATOM 15744 HA ASN B 464 176.238 212.724 232.068 1.00 38.27 H +ATOM 15745 HB2 ASN B 464 176.772 211.355 234.385 1.00 47.01 H +ATOM 15746 HB3 ASN B 464 177.876 211.117 233.266 1.00 47.01 H +ATOM 15747 HD21 ASN B 464 179.239 213.702 235.077 1.00 45.71 H +ATOM 15748 HD22 ASN B 464 179.071 212.225 235.165 1.00 45.71 H +ATOM 15749 N GLU B 465 175.603 209.661 231.571 1.00 30.53 N +ATOM 15750 CA GLU B 465 175.680 208.609 230.565 1.00 34.65 C +ATOM 15751 C GLU B 465 175.004 209.060 229.275 1.00 39.70 C +ATOM 15752 O GLU B 465 175.469 208.748 228.178 1.00 35.81 O +ATOM 15753 CB GLU B 465 175.040 207.313 231.072 1.00 34.44 C +ATOM 15754 CG GLU B 465 175.836 206.594 232.155 1.00 41.61 C +ATOM 15755 CD GLU B 465 177.277 206.355 231.759 1.00 41.62 C +ATOM 15756 OE1 GLU B 465 177.514 205.636 230.768 1.00 42.88 O +ATOM 15757 OE2 GLU B 465 178.174 206.898 232.437 1.00 49.24 O +ATOM 15758 H GLU B 465 175.083 209.484 232.233 1.00 36.64 H +ATOM 15759 HA GLU B 465 176.612 208.427 230.369 1.00 41.58 H +ATOM 15760 HB2 GLU B 465 174.166 207.521 231.440 1.00 41.32 H +ATOM 15761 HB3 GLU B 465 174.942 206.702 230.325 1.00 41.32 H +ATOM 15762 HG2 GLU B 465 175.832 207.133 232.961 1.00 49.94 H +ATOM 15763 HG3 GLU B 465 175.426 205.732 232.330 1.00 49.94 H +ATOM 15764 N TYR B 466 173.909 209.801 229.409 1.00 29.68 N +ATOM 15765 CA TYR B 466 173.196 210.310 228.247 1.00 32.92 C +ATOM 15766 C TYR B 466 173.966 211.444 227.578 1.00 28.68 C +ATOM 15767 O TYR B 466 173.889 211.616 226.364 1.00 30.31 O +ATOM 15768 CB TYR B 466 171.789 210.767 228.639 1.00 25.61 C +ATOM 15769 CG TYR B 466 170.812 209.619 228.687 1.00 26.55 C +ATOM 15770 CD1 TYR B 466 170.262 209.107 227.519 1.00 25.98 C +ATOM 15771 CD2 TYR B 466 170.461 209.026 229.891 1.00 29.00 C +ATOM 15772 CE1 TYR B 466 169.384 208.048 227.552 1.00 24.75 C +ATOM 15773 CE2 TYR B 466 169.580 207.967 229.932 1.00 30.55 C +ATOM 15774 CZ TYR B 466 169.045 207.483 228.761 1.00 27.79 C +ATOM 15775 OH TYR B 466 168.169 206.432 228.798 1.00 21.47 O +ATOM 15776 H TYR B 466 173.560 210.023 230.163 1.00 35.61 H +ATOM 15777 HA TYR B 466 173.104 209.593 227.599 1.00 39.50 H +ATOM 15778 HB2 TYR B 466 171.820 211.173 229.519 1.00 30.73 H +ATOM 15779 HB3 TYR B 466 171.469 211.408 227.985 1.00 30.73 H +ATOM 15780 HD1 TYR B 466 170.490 209.486 226.701 1.00 31.18 H +ATOM 15781 HD2 TYR B 466 170.823 209.352 230.684 1.00 34.80 H +ATOM 15782 HE1 TYR B 466 169.018 207.719 226.763 1.00 29.70 H +ATOM 15783 HE2 TYR B 466 169.349 207.582 230.747 1.00 36.66 H +ATOM 15784 HH TYR B 466 167.919 206.238 228.020 1.00 25.77 H +ATOM 15785 N ARG B 467 174.717 212.205 228.367 1.00 30.36 N +ATOM 15786 CA ARG B 467 175.613 213.216 227.819 1.00 32.84 C +ATOM 15787 C ARG B 467 176.616 212.573 226.871 1.00 33.44 C +ATOM 15788 O ARG B 467 176.808 213.036 225.746 1.00 33.67 O +ATOM 15789 CB ARG B 467 176.361 213.949 228.930 1.00 31.63 C +ATOM 15790 CG ARG B 467 175.473 214.697 229.913 1.00 31.66 C +ATOM 15791 CD ARG B 467 175.403 216.175 229.612 1.00 35.51 C +ATOM 15792 NE ARG B 467 176.724 216.782 229.480 1.00 36.15 N +ATOM 15793 CZ ARG B 467 176.940 217.995 228.982 1.00 40.84 C +ATOM 15794 NH1 ARG B 467 178.175 218.465 228.893 1.00 34.28 N +ATOM 15795 NH2 ARG B 467 175.922 218.741 228.571 1.00 33.19 N +ATOM 15796 H ARG B 467 174.727 212.155 229.226 1.00 36.43 H +ATOM 15797 HA ARG B 467 175.095 213.866 227.319 1.00 39.41 H +ATOM 15798 HB2 ARG B 467 176.877 213.301 229.435 1.00 37.96 H +ATOM 15799 HB3 ARG B 467 176.959 214.597 228.524 1.00 37.96 H +ATOM 15800 HG2 ARG B 467 174.573 214.337 229.866 1.00 37.99 H +ATOM 15801 HG3 ARG B 467 175.829 214.588 230.809 1.00 37.99 H +ATOM 15802 HD2 ARG B 467 174.927 216.306 228.778 1.00 42.62 H +ATOM 15803 HD3 ARG B 467 174.937 216.624 230.335 1.00 42.62 H +ATOM 15804 HE ARG B 467 177.400 216.343 229.779 1.00 43.38 H +ATOM 15805 HH11 ARG B 467 178.838 217.986 229.159 1.00 41.13 H +ATOM 15806 HH12 ARG B 467 178.314 219.251 228.573 1.00 41.13 H +ATOM 15807 HH21 ARG B 467 175.118 218.439 228.625 1.00 39.83 H +ATOM 15808 HH22 ARG B 467 176.066 219.526 228.250 1.00 39.83 H +ATOM 15809 N LYS B 468 177.257 211.506 227.337 1.00 34.49 N +ATOM 15810 CA LYS B 468 178.266 210.809 226.547 1.00 36.15 C +ATOM 15811 C LYS B 468 177.649 210.149 225.313 1.00 33.71 C +ATOM 15812 O LYS B 468 178.273 210.092 224.256 1.00 25.35 O +ATOM 15813 CB LYS B 468 178.985 209.766 227.407 1.00 43.48 C +ATOM 15814 CG LYS B 468 179.809 210.374 228.541 1.00 46.25 C +ATOM 15815 CD LYS B 468 180.773 209.373 229.160 1.00 46.93 C +ATOM 15816 CE LYS B 468 180.067 208.375 230.062 1.00 45.17 C +ATOM 15817 NZ LYS B 468 181.037 207.441 230.705 1.00 62.35 N +ATOM 15818 H LYS B 468 177.125 211.163 228.114 1.00 41.39 H +ATOM 15819 HA LYS B 468 178.926 211.451 226.243 1.00 43.38 H +ATOM 15820 HB2 LYS B 468 178.324 209.176 227.802 1.00 52.17 H +ATOM 15821 HB3 LYS B 468 179.586 209.256 226.842 1.00 52.17 H +ATOM 15822 HG2 LYS B 468 180.327 211.116 228.193 1.00 55.50 H +ATOM 15823 HG3 LYS B 468 179.209 210.684 229.237 1.00 55.50 H +ATOM 15824 HD2 LYS B 468 181.215 208.879 228.452 1.00 56.32 H +ATOM 15825 HD3 LYS B 468 181.427 209.851 229.693 1.00 56.32 H +ATOM 15826 HE2 LYS B 468 179.595 208.854 230.761 1.00 54.21 H +ATOM 15827 HE3 LYS B 468 179.444 207.851 229.534 1.00 54.21 H +ATOM 15828 HZ1 LYS B 468 180.604 206.866 231.228 1.00 74.82 H +ATOM 15829 HZ2 LYS B 468 181.481 206.987 230.082 1.00 74.82 H +ATOM 15830 HZ3 LYS B 468 181.619 207.899 231.199 1.00 74.82 H +ATOM 15831 N ARG B 469 176.420 209.664 225.455 1.00 36.54 N +ATOM 15832 CA ARG B 469 175.717 209.007 224.357 1.00 32.28 C +ATOM 15833 C ARG B 469 175.496 209.967 223.196 1.00 30.14 C +ATOM 15834 O ARG B 469 175.439 209.552 222.042 1.00 25.62 O +ATOM 15835 CB ARG B 469 174.380 208.444 224.847 1.00 32.46 C +ATOM 15836 CG ARG B 469 173.423 207.991 223.752 1.00 27.79 C +ATOM 15837 CD ARG B 469 174.011 206.884 222.883 1.00 30.36 C +ATOM 15838 NE ARG B 469 173.039 206.400 221.907 1.00 30.11 N +ATOM 15839 CZ ARG B 469 172.744 207.021 220.768 1.00 31.41 C +ATOM 15840 NH1 ARG B 469 173.344 208.158 220.444 1.00 32.54 N +ATOM 15841 NH2 ARG B 469 171.842 206.501 219.947 1.00 33.72 N +ATOM 15842 H ARG B 469 175.966 209.704 226.185 1.00 43.85 H +ATOM 15843 HA ARG B 469 176.255 208.267 224.036 1.00 38.73 H +ATOM 15844 HB2 ARG B 469 174.558 207.677 225.414 1.00 38.95 H +ATOM 15845 HB3 ARG B 469 173.928 209.130 225.363 1.00 38.95 H +ATOM 15846 HG2 ARG B 469 172.610 207.654 224.160 1.00 33.35 H +ATOM 15847 HG3 ARG B 469 173.218 208.746 223.178 1.00 33.35 H +ATOM 15848 HD2 ARG B 469 174.780 207.228 222.402 1.00 36.44 H +ATOM 15849 HD3 ARG B 469 174.272 206.139 223.446 1.00 36.44 H +ATOM 15850 HE ARG B 469 172.630 205.664 222.079 1.00 36.13 H +ATOM 15851 HH11 ARG B 469 173.929 208.501 220.973 1.00 39.05 H +ATOM 15852 HH12 ARG B 469 173.148 208.553 219.706 1.00 39.05 H +ATOM 15853 HH21 ARG B 469 171.449 205.764 220.150 1.00 40.46 H +ATOM 15854 HH22 ARG B 469 171.651 206.901 219.209 1.00 40.46 H +ATOM 15855 N PHE B 470 175.378 211.254 223.505 1.00 28.80 N +ATOM 15856 CA PHE B 470 175.186 212.270 222.478 1.00 36.97 C +ATOM 15857 C PHE B 470 176.415 213.170 222.349 1.00 37.48 C +ATOM 15858 O PHE B 470 176.308 214.349 222.014 1.00 28.16 O +ATOM 15859 CB PHE B 470 173.921 213.071 222.779 1.00 31.97 C +ATOM 15860 CG PHE B 470 172.664 212.282 222.557 1.00 31.91 C +ATOM 15861 CD1 PHE B 470 172.141 211.487 223.561 1.00 28.35 C +ATOM 15862 CD2 PHE B 470 172.028 212.306 221.327 1.00 32.77 C +ATOM 15863 CE1 PHE B 470 170.998 210.750 223.350 1.00 28.92 C +ATOM 15864 CE2 PHE B 470 170.884 211.572 221.113 1.00 32.35 C +ATOM 15865 CZ PHE B 470 170.368 210.791 222.125 1.00 35.27 C +ATOM 15866 H PHE B 470 175.407 211.565 224.306 1.00 34.56 H +ATOM 15867 HA PHE B 470 175.057 211.827 221.625 1.00 44.37 H +ATOM 15868 HB2 PHE B 470 173.939 213.351 223.708 1.00 38.36 H +ATOM 15869 HB3 PHE B 470 173.894 213.848 222.199 1.00 38.36 H +ATOM 15870 HD1 PHE B 470 172.562 211.456 224.390 1.00 34.02 H +ATOM 15871 HD2 PHE B 470 172.373 212.832 220.642 1.00 39.32 H +ATOM 15872 HE1 PHE B 470 170.650 210.224 224.035 1.00 34.70 H +ATOM 15873 HE2 PHE B 470 170.460 211.601 220.285 1.00 38.82 H +ATOM 15874 HZ PHE B 470 169.594 210.295 221.983 1.00 42.32 H +ATOM 15875 N MET B 471 177.580 212.582 222.618 1.00 45.45 N +ATOM 15876 CA MET B 471 178.876 213.190 222.311 1.00 33.63 C +ATOM 15877 C MET B 471 179.131 214.487 223.073 1.00 24.54 C +ATOM 15878 O MET B 471 179.779 215.398 222.565 1.00 36.75 O +ATOM 15879 CB MET B 471 178.993 213.441 220.804 1.00 32.27 C +ATOM 15880 CG MET B 471 179.162 212.169 219.990 1.00 43.82 C +ATOM 15881 SD MET B 471 179.930 212.449 218.381 1.00 65.17 S +ATOM 15882 CE MET B 471 181.570 212.990 218.864 1.00143.43 C +ATOM 15883 H MET B 471 177.648 211.809 222.988 1.00 54.54 H +ATOM 15884 HA MET B 471 179.570 212.557 222.551 1.00 40.36 H +ATOM 15885 HB2 MET B 471 178.187 213.886 220.497 1.00 38.72 H +ATOM 15886 HB3 MET B 471 179.765 214.005 220.639 1.00 38.72 H +ATOM 15887 HG2 MET B 471 179.723 211.551 220.485 1.00 52.58 H +ATOM 15888 HG3 MET B 471 178.289 211.774 219.839 1.00 52.58 H +ATOM 15889 HE1 MET B 471 182.089 213.176 218.066 1.00172.12 H +ATOM 15890 HE2 MET B 471 181.491 213.794 219.402 1.00172.12 H +ATOM 15891 HE3 MET B 471 181.995 212.287 219.380 1.00172.12 H +ATOM 15892 N LEU B 472 178.626 214.555 224.297 1.00 31.06 N +ATOM 15893 CA LEU B 472 178.886 215.685 225.178 1.00 32.66 C +ATOM 15894 C LEU B 472 179.828 215.252 226.288 1.00 30.17 C +ATOM 15895 O LEU B 472 179.810 214.097 226.705 1.00 27.41 O +ATOM 15896 CB LEU B 472 177.586 216.226 225.771 1.00 30.57 C +ATOM 15897 CG LEU B 472 176.459 216.467 224.769 1.00 31.33 C +ATOM 15898 CD1 LEU B 472 175.180 216.812 225.500 1.00 33.14 C +ATOM 15899 CD2 LEU B 472 176.838 217.564 223.792 1.00 34.70 C +ATOM 15900 H LEU B 472 178.123 213.951 224.646 1.00 37.27 H +ATOM 15901 HA LEU B 472 179.312 216.395 224.673 1.00 39.19 H +ATOM 15902 HB2 LEU B 472 177.260 215.590 226.428 1.00 36.69 H +ATOM 15903 HB3 LEU B 472 177.775 217.072 226.206 1.00 36.69 H +ATOM 15904 HG LEU B 472 176.305 215.653 224.263 1.00 37.59 H +ATOM 15905 HD11 LEU B 472 174.476 216.962 224.849 1.00 39.76 H +ATOM 15906 HD12 LEU B 472 174.941 216.075 226.083 1.00 39.76 H +ATOM 15907 HD13 LEU B 472 175.324 217.616 226.023 1.00 39.76 H +ATOM 15908 HD21 LEU B 472 176.108 217.697 223.168 1.00 41.64 H +ATOM 15909 HD22 LEU B 472 177.006 218.382 224.286 1.00 41.64 H +ATOM 15910 HD23 LEU B 472 177.638 217.297 223.313 1.00 41.64 H +ATOM 15911 N LYS B 473 180.650 216.178 226.764 1.00 28.48 N +ATOM 15912 CA LYS B 473 181.534 215.890 227.881 1.00 37.75 C +ATOM 15913 C LYS B 473 180.698 215.720 229.150 1.00 34.80 C +ATOM 15914 O LYS B 473 179.814 216.530 229.418 1.00 36.08 O +ATOM 15915 CB LYS B 473 182.560 217.009 228.063 1.00 39.42 C +ATOM 15916 CG LYS B 473 183.808 216.583 228.821 1.00 56.22 C +ATOM 15917 CD LYS B 473 184.795 217.733 228.986 1.00 85.22 C +ATOM 15918 CE LYS B 473 184.268 218.815 229.922 1.00 72.65 C +ATOM 15919 NZ LYS B 473 183.986 218.297 231.292 1.00 73.14 N +ATOM 15920 H LYS B 473 180.715 216.979 226.458 1.00 34.18 H +ATOM 15921 HA LYS B 473 182.009 215.061 227.713 1.00 45.31 H +ATOM 15922 HB2 LYS B 473 182.837 217.324 227.188 1.00 47.30 H +ATOM 15923 HB3 LYS B 473 182.146 217.735 228.557 1.00 47.30 H +ATOM 15924 HG2 LYS B 473 183.555 216.273 229.704 1.00 67.47 H +ATOM 15925 HG3 LYS B 473 184.251 215.872 228.331 1.00 67.47 H +ATOM 15926 HD2 LYS B 473 185.623 217.391 229.357 1.00102.26 H +ATOM 15927 HD3 LYS B 473 184.960 218.138 228.120 1.00102.26 H +ATOM 15928 HE2 LYS B 473 184.930 219.520 229.997 1.00 87.18 H +ATOM 15929 HE3 LYS B 473 183.441 219.172 229.560 1.00 87.18 H +ATOM 15930 HZ1 LYS B 473 183.681 218.954 231.809 1.00 87.77 H +ATOM 15931 HZ2 LYS B 473 183.375 217.652 231.253 1.00 87.77 H +ATOM 15932 HZ3 LYS B 473 184.731 217.968 231.651 1.00 87.77 H +ATOM 15933 N PRO B 474 180.965 214.664 229.934 1.00 35.32 N +ATOM 15934 CA PRO B 474 180.217 214.533 231.188 1.00 34.60 C +ATOM 15935 C PRO B 474 180.578 215.628 232.182 1.00 36.43 C +ATOM 15936 O PRO B 474 181.725 216.070 232.215 1.00 45.68 O +ATOM 15937 CB PRO B 474 180.635 213.155 231.707 1.00 33.65 C +ATOM 15938 CG PRO B 474 181.943 212.887 231.067 1.00 39.74 C +ATOM 15939 CD PRO B 474 181.894 213.542 229.727 1.00 31.22 C +ATOM 15940 HA PRO B 474 179.261 214.544 231.021 1.00 41.52 H +ATOM 15941 HB2 PRO B 474 180.723 213.182 232.673 1.00 40.38 H +ATOM 15942 HB3 PRO B 474 179.979 212.492 231.440 1.00 40.38 H +ATOM 15943 HG2 PRO B 474 182.652 213.270 231.607 1.00 47.69 H +ATOM 15944 HG3 PRO B 474 182.067 211.929 230.973 1.00 47.69 H +ATOM 15945 HD2 PRO B 474 182.772 213.870 229.478 1.00 37.46 H +ATOM 15946 HD3 PRO B 474 181.541 212.928 229.063 1.00 37.46 H +ATOM 15947 N TYR B 475 179.607 216.063 232.975 1.00 46.00 N +ATOM 15948 CA TYR B 475 179.856 217.075 233.991 1.00 42.14 C +ATOM 15949 C TYR B 475 180.699 216.490 235.117 1.00 42.59 C +ATOM 15950 O TYR B 475 180.473 215.362 235.550 1.00 44.97 O +ATOM 15951 CB TYR B 475 178.537 217.628 234.537 1.00 45.91 C +ATOM 15952 CG TYR B 475 177.868 218.630 233.622 1.00 45.85 C +ATOM 15953 CD1 TYR B 475 178.469 219.847 233.338 1.00 46.57 C +ATOM 15954 CD2 TYR B 475 176.632 218.365 233.050 1.00 49.24 C +ATOM 15955 CE1 TYR B 475 177.865 220.768 232.507 1.00 42.73 C +ATOM 15956 CE2 TYR B 475 176.019 219.284 232.217 1.00 52.55 C +ATOM 15957 CZ TYR B 475 176.641 220.483 231.950 1.00 44.49 C +ATOM 15958 OH TYR B 475 176.041 221.403 231.124 1.00 44.49 O +ATOM 15959 H TYR B 475 178.793 215.786 232.945 1.00 55.20 H +ATOM 15960 HA TYR B 475 180.350 217.810 233.595 1.00 50.57 H +ATOM 15961 HB2 TYR B 475 177.920 216.890 234.669 1.00 55.10 H +ATOM 15962 HB3 TYR B 475 178.709 218.068 235.384 1.00 55.10 H +ATOM 15963 HD1 TYR B 475 179.298 220.045 233.712 1.00 55.89 H +ATOM 15964 HD2 TYR B 475 176.210 217.556 233.229 1.00 59.08 H +ATOM 15965 HE1 TYR B 475 178.283 221.579 232.325 1.00 51.28 H +ATOM 15966 HE2 TYR B 475 175.191 219.093 231.839 1.00 63.06 H +ATOM 15967 HH TYR B 475 175.303 221.107 230.852 1.00 53.39 H +ATOM 15968 N GLU B 476 181.670 217.267 235.585 1.00 53.11 N +ATOM 15969 CA GLU B 476 182.611 216.803 236.604 1.00 51.20 C +ATOM 15970 C GLU B 476 182.163 217.172 238.016 1.00 45.60 C +ATOM 15971 O GLU B 476 182.569 216.534 238.985 1.00 57.14 O +ATOM 15972 CB GLU B 476 184.002 217.378 236.337 1.00 53.96 C +ATOM 15973 CG GLU B 476 184.636 216.882 235.047 1.00 68.04 C +ATOM 15974 CD GLU B 476 185.975 217.530 234.769 1.00 85.30 C +ATOM 15975 OE1 GLU B 476 186.791 217.638 235.709 1.00 92.25 O +ATOM 15976 OE2 GLU B 476 186.210 217.937 233.612 1.00 87.02 O +ATOM 15977 H GLU B 476 181.809 218.075 235.325 1.00 63.73 H +ATOM 15978 HA GLU B 476 182.674 215.837 236.556 1.00 61.44 H +ATOM 15979 HB2 GLU B 476 183.936 218.344 236.282 1.00 64.75 H +ATOM 15980 HB3 GLU B 476 184.588 217.130 237.069 1.00 64.75 H +ATOM 15981 HG2 GLU B 476 184.772 215.924 235.109 1.00 81.65 H +ATOM 15982 HG3 GLU B 476 184.044 217.086 234.305 1.00 81.65 H +ATOM 15983 N SER B 477 181.334 218.205 238.130 1.00 54.16 N +ATOM 15984 CA SER B 477 180.817 218.635 239.425 1.00 52.81 C +ATOM 15985 C SER B 477 179.367 219.083 239.303 1.00 53.20 C +ATOM 15986 O SER B 477 178.875 219.322 238.202 1.00 54.43 O +ATOM 15987 CB SER B 477 181.667 219.772 239.993 1.00 63.08 C +ATOM 15988 OG SER B 477 181.502 220.958 239.235 1.00 47.24 O +ATOM 15989 H SER B 477 181.054 218.676 237.467 1.00 64.99 H +ATOM 15990 HA SER B 477 180.852 217.891 240.045 1.00 63.37 H +ATOM 15991 HB2 SER B 477 181.395 219.942 240.908 1.00 75.70 H +ATOM 15992 HB3 SER B 477 182.601 219.510 239.968 1.00 75.70 H +ATOM 15993 HG SER B 477 181.975 221.573 239.558 1.00 56.69 H +ATOM 15994 N PHE B 478 178.685 219.186 240.440 1.00 51.93 N +ATOM 15995 CA PHE B 478 177.314 219.682 240.471 1.00 56.48 C +ATOM 15996 C PHE B 478 177.280 221.162 240.116 1.00 53.52 C +ATOM 15997 O PHE B 478 176.353 221.638 239.462 1.00 47.56 O +ATOM 15998 CB PHE B 478 176.688 219.471 241.849 1.00 59.86 C +ATOM 15999 CG PHE B 478 176.574 218.032 242.253 1.00 51.59 C +ATOM 16000 CD1 PHE B 478 175.482 217.277 241.866 1.00 46.65 C +ATOM 16001 CD2 PHE B 478 177.551 217.438 243.032 1.00 53.12 C +ATOM 16002 CE1 PHE B 478 175.369 215.956 242.242 1.00 51.20 C +ATOM 16003 CE2 PHE B 478 177.443 216.116 243.411 1.00 53.22 C +ATOM 16004 CZ PHE B 478 176.350 215.375 243.015 1.00 53.65 C +ATOM 16005 H PHE B 478 178.997 218.974 241.212 1.00 62.32 H +ATOM 16006 HA PHE B 478 176.784 219.199 239.817 1.00 67.78 H +ATOM 16007 HB2 PHE B 478 177.234 219.922 242.512 1.00 71.83 H +ATOM 16008 HB3 PHE B 478 175.795 219.849 241.847 1.00 71.83 H +ATOM 16009 HD1 PHE B 478 174.817 217.665 241.345 1.00 55.98 H +ATOM 16010 HD2 PHE B 478 178.290 217.935 243.301 1.00 63.75 H +ATOM 16011 HE1 PHE B 478 174.631 215.457 241.974 1.00 61.44 H +ATOM 16012 HE2 PHE B 478 178.107 215.725 243.932 1.00 63.86 H +ATOM 16013 HZ PHE B 478 176.276 214.483 243.269 1.00 64.38 H +ATOM 16014 N GLU B 479 178.298 221.884 240.565 1.00 58.30 N +ATOM 16015 CA GLU B 479 178.395 223.313 240.317 1.00 59.65 C +ATOM 16016 C GLU B 479 178.601 223.587 238.830 1.00 55.76 C +ATOM 16017 O GLU B 479 178.150 224.605 238.306 1.00 51.41 O +ATOM 16018 CB GLU B 479 179.537 223.909 241.138 1.00 51.98 C +ATOM 16019 CG GLU B 479 179.637 225.418 241.067 1.00 82.47 C +ATOM 16020 CD GLU B 479 180.783 225.960 241.896 1.00 93.06 C +ATOM 16021 OE1 GLU B 479 181.015 225.437 243.006 1.00 73.76 O +ATOM 16022 OE2 GLU B 479 181.455 226.906 241.434 1.00 90.64 O +ATOM 16023 H GLU B 479 178.954 221.564 241.020 1.00 69.96 H +ATOM 16024 HA GLU B 479 177.569 223.741 240.592 1.00 71.58 H +ATOM 16025 HB2 GLU B 479 179.410 223.666 242.069 1.00 62.38 H +ATOM 16026 HB3 GLU B 479 180.375 223.543 240.816 1.00 62.38 H +ATOM 16027 HG2 GLU B 479 179.781 225.683 240.145 1.00 98.97 H +ATOM 16028 HG3 GLU B 479 178.814 225.807 241.401 1.00 98.97 H +ATOM 16029 N GLU B 480 179.286 222.672 238.155 1.00 54.48 N +ATOM 16030 CA GLU B 480 179.483 222.773 236.716 1.00 48.42 C +ATOM 16031 C GLU B 480 178.150 222.602 235.995 1.00 57.01 C +ATOM 16032 O GLU B 480 177.905 223.227 234.963 1.00 54.95 O +ATOM 16033 CB GLU B 480 180.485 221.723 236.236 1.00 46.25 C +ATOM 16034 CG GLU B 480 180.930 221.898 234.792 1.00 53.90 C +ATOM 16035 CD GLU B 480 181.763 220.734 234.291 1.00 62.26 C +ATOM 16036 OE1 GLU B 480 182.168 219.891 235.119 1.00 59.28 O +ATOM 16037 OE2 GLU B 480 182.010 220.660 233.069 1.00 60.14 O +ATOM 16038 H GLU B 480 179.649 221.978 238.510 1.00 65.38 H +ATOM 16039 HA GLU B 480 179.835 223.651 236.502 1.00 58.11 H +ATOM 16040 HB2 GLU B 480 181.275 221.768 236.796 1.00 55.50 H +ATOM 16041 HB3 GLU B 480 180.078 220.846 236.314 1.00 55.50 H +ATOM 16042 HG2 GLU B 480 180.145 221.971 234.226 1.00 64.68 H +ATOM 16043 HG3 GLU B 480 181.466 222.704 234.722 1.00 64.68 H +ATOM 16044 N LEU B 481 177.290 221.757 236.552 1.00 55.98 N +ATOM 16045 CA LEU B 481 175.988 221.480 235.958 1.00 53.22 C +ATOM 16046 C LEU B 481 175.050 222.687 236.027 1.00 51.90 C +ATOM 16047 O LEU B 481 174.443 223.060 235.025 1.00 41.64 O +ATOM 16048 CB LEU B 481 175.338 220.278 236.648 1.00 48.79 C +ATOM 16049 CG LEU B 481 173.895 219.961 236.248 1.00 48.99 C +ATOM 16050 CD1 LEU B 481 173.776 219.795 234.747 1.00 54.32 C +ATOM 16051 CD2 LEU B 481 173.403 218.711 236.961 1.00 48.63 C +ATOM 16052 H LEU B 481 177.439 221.326 237.282 1.00 67.17 H +ATOM 16053 HA LEU B 481 176.113 221.254 235.023 1.00 63.86 H +ATOM 16054 HB2 LEU B 481 175.870 219.491 236.452 1.00 58.55 H +ATOM 16055 HB3 LEU B 481 175.343 220.438 237.605 1.00 58.55 H +ATOM 16056 HG LEU B 481 173.325 220.700 236.513 1.00 58.79 H +ATOM 16057 HD11 LEU B 481 172.853 219.596 234.524 1.00 65.19 H +ATOM 16058 HD12 LEU B 481 174.051 220.619 234.315 1.00 65.19 H +ATOM 16059 HD13 LEU B 481 174.350 219.065 234.464 1.00 65.19 H +ATOM 16060 HD21 LEU B 481 172.489 218.533 236.690 1.00 58.35 H +ATOM 16061 HD22 LEU B 481 173.972 217.965 236.716 1.00 58.35 H +ATOM 16062 HD23 LEU B 481 173.443 218.858 237.919 1.00 58.35 H +ATOM 16063 N THR B 482 174.937 223.294 237.205 1.00 58.45 N +ATOM 16064 CA THR B 482 173.982 224.379 237.418 1.00 60.91 C +ATOM 16065 C THR B 482 174.588 225.757 237.160 1.00 57.92 C +ATOM 16066 O THR B 482 173.866 226.716 236.889 1.00 54.28 O +ATOM 16067 CB THR B 482 173.425 224.361 238.851 1.00 62.63 C +ATOM 16068 OG1 THR B 482 174.484 224.614 239.781 1.00 58.92 O +ATOM 16069 CG2 THR B 482 172.780 223.017 239.163 1.00 55.06 C +ATOM 16070 H THR B 482 175.403 223.096 237.900 1.00 70.14 H +ATOM 16071 HA THR B 482 173.237 224.264 236.808 1.00 73.09 H +ATOM 16072 HB THR B 482 172.749 225.050 238.940 1.00 75.16 H +ATOM 16073 HG1 THR B 482 174.827 225.366 239.629 1.00 70.71 H +ATOM 16074 HG21 THR B 482 172.433 223.018 240.069 1.00 66.07 H +ATOM 16075 HG22 THR B 482 172.051 222.848 238.546 1.00 66.07 H +ATOM 16076 HG23 THR B 482 173.436 222.307 239.078 1.00 66.07 H +ATOM 16077 N GLY B 483 175.911 225.853 237.246 1.00 56.38 N +ATOM 16078 CA GLY B 483 176.585 227.132 237.105 1.00 53.00 C +ATOM 16079 C GLY B 483 176.191 228.053 238.240 1.00 55.00 C +ATOM 16080 O GLY B 483 175.984 229.249 238.043 1.00 61.19 O +ATOM 16081 H GLY B 483 176.439 225.190 237.387 1.00 67.66 H +ATOM 16082 HA2 GLY B 483 177.547 227.002 237.122 1.00 63.60 H +ATOM 16083 HA3 GLY B 483 176.338 227.545 236.262 1.00 63.60 H +ATOM 16084 N GLU B 484 176.094 227.482 239.435 1.00 55.65 N +ATOM 16085 CA GLU B 484 175.575 228.195 240.594 1.00 55.85 C +ATOM 16086 C GLU B 484 175.758 227.326 241.842 1.00 60.10 C +ATOM 16087 O GLU B 484 175.930 226.113 241.734 1.00 65.76 O +ATOM 16088 CB GLU B 484 174.108 228.575 240.342 1.00 54.85 C +ATOM 16089 CG GLU B 484 173.177 228.571 241.541 1.00 54.73 C +ATOM 16090 CD GLU B 484 172.583 227.210 241.810 1.00 53.84 C +ATOM 16091 OE1 GLU B 484 171.543 227.162 242.487 1.00 58.65 O +ATOM 16092 OE2 GLU B 484 173.139 226.191 241.344 1.00 55.44 O +ATOM 16093 H GLU B 484 176.325 226.671 239.602 1.00 66.78 H +ATOM 16094 HA GLU B 484 176.082 229.012 240.718 1.00 67.01 H +ATOM 16095 HB2 GLU B 484 174.089 229.470 239.969 1.00 65.82 H +ATOM 16096 HB3 GLU B 484 173.742 227.952 239.695 1.00 65.82 H +ATOM 16097 HG2 GLU B 484 173.674 228.843 242.329 1.00 65.68 H +ATOM 16098 HG3 GLU B 484 172.448 229.190 241.378 1.00 65.68 H +ATOM 16099 N LYS B 485 175.733 227.950 243.017 1.00 60.06 N +ATOM 16100 CA LYS B 485 176.129 227.287 244.258 1.00 62.05 C +ATOM 16101 C LYS B 485 174.969 226.718 245.081 1.00 55.78 C +ATOM 16102 O LYS B 485 175.164 225.795 245.874 1.00 56.03 O +ATOM 16103 CB LYS B 485 176.920 228.271 245.126 1.00 59.27 C +ATOM 16104 CG LYS B 485 177.957 229.089 244.362 1.00 70.20 C +ATOM 16105 CD LYS B 485 179.071 228.218 243.794 1.00 73.12 C +ATOM 16106 CE LYS B 485 180.315 228.267 244.664 1.00 83.11 C +ATOM 16107 NZ LYS B 485 180.961 229.608 244.642 1.00 91.12 N +ATOM 16108 H LYS B 485 175.488 228.767 243.124 1.00 72.07 H +ATOM 16109 HA LYS B 485 176.720 226.550 244.038 1.00 74.47 H +ATOM 16110 HB2 LYS B 485 176.298 228.892 245.537 1.00 71.12 H +ATOM 16111 HB3 LYS B 485 177.387 227.772 245.815 1.00 71.12 H +ATOM 16112 HG2 LYS B 485 177.522 229.543 243.623 1.00 84.24 H +ATOM 16113 HG3 LYS B 485 178.357 229.737 244.963 1.00 84.24 H +ATOM 16114 HD2 LYS B 485 178.767 227.298 243.749 1.00 87.74 H +ATOM 16115 HD3 LYS B 485 179.307 228.537 242.908 1.00 87.74 H +ATOM 16116 HE2 LYS B 485 180.070 228.064 245.581 1.00 99.73 H +ATOM 16117 HE3 LYS B 485 180.957 227.617 244.339 1.00 99.73 H +ATOM 16118 HZ1 LYS B 485 181.685 229.605 245.160 1.00109.34 H +ATOM 16119 HZ2 LYS B 485 181.201 229.816 243.811 1.00109.34 H +ATOM 16120 HZ3 LYS B 485 180.393 230.224 244.942 1.00109.34 H +ATOM 16121 N GLU B 486 173.771 227.261 244.901 1.00 55.37 N +ATOM 16122 CA GLU B 486 172.642 226.928 245.769 1.00 60.20 C +ATOM 16123 C GLU B 486 172.015 225.570 245.436 1.00 62.56 C +ATOM 16124 O GLU B 486 171.999 224.666 246.272 1.00 57.73 O +ATOM 16125 CB GLU B 486 171.582 228.031 245.686 1.00 65.36 C +ATOM 16126 CG GLU B 486 170.425 227.874 246.662 1.00 71.25 C +ATOM 16127 CD GLU B 486 169.510 229.084 246.676 1.00 79.64 C +ATOM 16128 OE1 GLU B 486 168.503 229.060 247.413 1.00 82.43 O +ATOM 16129 OE2 GLU B 486 169.796 230.061 245.951 1.00 80.28 O +ATOM 16130 H GLU B 486 173.583 227.827 244.281 1.00 66.45 H +ATOM 16131 HA GLU B 486 172.956 226.890 246.686 1.00 72.24 H +ATOM 16132 HB2 GLU B 486 172.007 228.883 245.870 1.00 78.44 H +ATOM 16133 HB3 GLU B 486 171.211 228.038 244.790 1.00 78.44 H +ATOM 16134 HG2 GLU B 486 169.898 227.101 246.406 1.00 85.50 H +ATOM 16135 HG3 GLU B 486 170.779 227.755 247.557 1.00 85.50 H +ATOM 16136 N MET B 487 171.496 225.437 244.220 1.00 65.84 N +ATOM 16137 CA MET B 487 170.878 224.192 243.771 1.00 60.46 C +ATOM 16138 C MET B 487 171.890 223.055 243.701 1.00 52.99 C +ATOM 16139 O MET B 487 171.575 221.912 244.037 1.00 47.36 O +ATOM 16140 CB MET B 487 170.222 224.382 242.400 1.00 56.99 C +ATOM 16141 CG MET B 487 169.009 225.301 242.410 1.00 45.66 C +ATOM 16142 SD MET B 487 168.134 225.322 240.838 1.00 50.09 S +ATOM 16143 CE MET B 487 169.366 226.045 239.758 1.00 52.08 C +ATOM 16144 H MET B 487 171.489 226.061 243.628 1.00 79.00 H +ATOM 16145 HA MET B 487 170.180 223.948 244.400 1.00 72.55 H +ATOM 16146 HB2 MET B 487 170.875 224.763 241.793 1.00 68.39 H +ATOM 16147 HB3 MET B 487 169.933 223.517 242.071 1.00 68.39 H +ATOM 16148 HG2 MET B 487 168.390 224.999 243.093 1.00 54.79 H +ATOM 16149 HG3 MET B 487 169.300 226.206 242.603 1.00 54.79 H +ATOM 16150 HE1 MET B 487 169.594 226.929 240.087 1.00 62.50 H +ATOM 16151 HE2 MET B 487 170.154 225.480 239.756 1.00 62.50 H +ATOM 16152 HE3 MET B 487 169.001 226.109 238.862 1.00 62.50 H +ATOM 16153 N SER B 488 173.103 223.371 243.257 1.00 51.52 N +ATOM 16154 CA SER B 488 174.167 222.379 243.163 1.00 52.70 C +ATOM 16155 C SER B 488 174.435 221.732 244.517 1.00 62.06 C +ATOM 16156 O SER B 488 174.827 220.569 244.593 1.00 57.16 O +ATOM 16157 CB SER B 488 175.450 223.016 242.632 1.00 52.97 C +ATOM 16158 OG SER B 488 175.945 223.988 243.535 1.00 57.74 O +ATOM 16159 H SER B 488 173.336 224.159 243.001 1.00 61.83 H +ATOM 16160 HA SER B 488 173.898 221.682 242.545 1.00 63.24 H +ATOM 16161 HB2 SER B 488 176.120 222.325 242.514 1.00 63.56 H +ATOM 16162 HB3 SER B 488 175.261 223.444 241.782 1.00 63.56 H +ATOM 16163 HG SER B 488 176.649 224.330 243.232 1.00 69.29 H +ATOM 16164 N ALA B 489 174.220 222.495 245.583 1.00 64.54 N +ATOM 16165 CA ALA B 489 174.426 221.995 246.934 1.00 46.39 C +ATOM 16166 C ALA B 489 173.303 221.045 247.327 1.00 52.28 C +ATOM 16167 O ALA B 489 173.541 220.021 247.964 1.00 59.27 O +ATOM 16168 CB ALA B 489 174.517 223.145 247.915 1.00 52.29 C +ATOM 16169 H ALA B 489 173.953 223.312 245.548 1.00 77.45 H +ATOM 16170 HA ALA B 489 175.261 221.504 246.967 1.00 55.67 H +ATOM 16171 HB1 ALA B 489 174.653 222.789 248.807 1.00 62.75 H +ATOM 16172 HB2 ALA B 489 175.263 223.713 247.668 1.00 62.75 H +ATOM 16173 HB3 ALA B 489 173.690 223.652 247.885 1.00 62.75 H +ATOM 16174 N GLU B 490 172.076 221.391 246.951 1.00 44.78 N +ATOM 16175 CA GLU B 490 170.945 220.501 247.167 1.00 63.18 C +ATOM 16176 C GLU B 490 171.150 219.219 246.370 1.00 60.89 C +ATOM 16177 O GLU B 490 170.856 218.125 246.849 1.00 56.21 O +ATOM 16178 CB GLU B 490 169.631 221.172 246.760 1.00 58.51 C +ATOM 16179 CG GLU B 490 169.270 222.408 247.568 1.00 67.01 C +ATOM 16180 CD GLU B 490 168.930 222.096 249.011 1.00 74.16 C +ATOM 16181 OE1 GLU B 490 168.865 220.902 249.369 1.00 81.25 O +ATOM 16182 OE2 GLU B 490 168.724 223.050 249.791 1.00 77.67 O +ATOM 16183 H GLU B 490 171.873 222.134 246.569 1.00 53.74 H +ATOM 16184 HA GLU B 490 170.892 220.271 248.108 1.00 75.82 H +ATOM 16185 HB2 GLU B 490 169.695 221.438 245.829 1.00 70.21 H +ATOM 16186 HB3 GLU B 490 168.910 220.531 246.867 1.00 70.21 H +ATOM 16187 HG2 GLU B 490 170.024 223.018 247.564 1.00 80.42 H +ATOM 16188 HG3 GLU B 490 168.498 222.834 247.164 1.00 80.42 H +ATOM 16189 N LEU B 491 171.660 219.366 245.151 1.00 52.88 N +ATOM 16190 CA LEU B 491 171.952 218.220 244.301 1.00 55.41 C +ATOM 16191 C LEU B 491 172.963 217.291 244.959 1.00 57.36 C +ATOM 16192 O LEU B 491 172.784 216.074 244.967 1.00 51.87 O +ATOM 16193 CB LEU B 491 172.484 218.677 242.942 1.00 57.14 C +ATOM 16194 CG LEU B 491 171.481 219.063 241.854 1.00 60.96 C +ATOM 16195 CD1 LEU B 491 172.228 219.566 240.629 1.00 57.76 C +ATOM 16196 CD2 LEU B 491 170.596 217.883 241.484 1.00 44.37 C +ATOM 16197 H LEU B 491 171.846 220.125 244.792 1.00 63.45 H +ATOM 16198 HA LEU B 491 171.135 217.720 244.151 1.00 66.49 H +ATOM 16199 HB2 LEU B 491 173.048 219.452 243.090 1.00 68.57 H +ATOM 16200 HB3 LEU B 491 173.027 217.959 242.580 1.00 68.57 H +ATOM 16201 HG LEU B 491 170.914 219.779 242.180 1.00 73.15 H +ATOM 16202 HD11 LEU B 491 171.585 219.808 239.945 1.00 69.31 H +ATOM 16203 HD12 LEU B 491 172.755 220.342 240.878 1.00 69.31 H +ATOM 16204 HD13 LEU B 491 172.809 218.862 240.303 1.00 69.31 H +ATOM 16205 HD21 LEU B 491 169.973 218.161 240.794 1.00 53.24 H +ATOM 16206 HD22 LEU B 491 171.153 217.161 241.156 1.00 53.24 H +ATOM 16207 HD23 LEU B 491 170.110 217.595 242.273 1.00 53.24 H +ATOM 16208 N GLU B 492 174.028 217.868 245.505 1.00 57.99 N +ATOM 16209 CA GLU B 492 175.074 217.076 246.141 1.00 53.29 C +ATOM 16210 C GLU B 492 174.548 216.387 247.393 1.00 52.92 C +ATOM 16211 O GLU B 492 174.916 215.251 247.685 1.00 56.98 O +ATOM 16212 CB GLU B 492 176.279 217.949 246.493 1.00 52.14 C +ATOM 16213 CG GLU B 492 177.426 217.170 247.119 1.00 58.11 C +ATOM 16214 CD GLU B 492 178.767 217.850 246.938 1.00 62.72 C +ATOM 16215 OE1 GLU B 492 178.931 218.987 247.424 1.00 69.08 O +ATOM 16216 OE2 GLU B 492 179.656 217.246 246.304 1.00 65.65 O +ATOM 16217 H GLU B 492 174.168 218.717 245.521 1.00 69.59 H +ATOM 16218 HA GLU B 492 175.370 216.390 245.523 1.00 63.95 H +ATOM 16219 HB2 GLU B 492 176.610 218.368 245.684 1.00 62.56 H +ATOM 16220 HB3 GLU B 492 176.000 218.629 247.126 1.00 62.56 H +ATOM 16221 HG2 GLU B 492 177.263 217.078 248.071 1.00 69.73 H +ATOM 16222 HG3 GLU B 492 177.476 216.294 246.705 1.00 69.73 H +ATOM 16223 N ALA B 493 173.683 217.078 248.128 1.00 53.97 N +ATOM 16224 CA ALA B 493 173.115 216.528 249.353 1.00 60.53 C +ATOM 16225 C ALA B 493 172.153 215.390 249.035 1.00 55.53 C +ATOM 16226 O ALA B 493 171.966 214.480 249.842 1.00 50.77 O +ATOM 16227 CB ALA B 493 172.407 217.614 250.145 1.00 61.15 C +ATOM 16228 H ALA B 493 173.409 217.871 247.939 1.00 64.76 H +ATOM 16229 HA ALA B 493 173.831 216.172 249.902 1.00 72.63 H +ATOM 16230 HB1 ALA B 493 172.037 217.225 250.953 1.00 73.38 H +ATOM 16231 HB2 ALA B 493 173.047 218.306 250.373 1.00 73.38 H +ATOM 16232 HB3 ALA B 493 171.695 217.987 249.602 1.00 73.38 H +ATOM 16233 N LEU B 494 171.546 215.449 247.855 1.00 56.48 N +ATOM 16234 CA LEU B 494 170.596 214.429 247.432 1.00 47.11 C +ATOM 16235 C LEU B 494 171.293 213.250 246.755 1.00 47.20 C +ATOM 16236 O LEU B 494 170.960 212.097 247.016 1.00 49.12 O +ATOM 16237 CB LEU B 494 169.555 215.037 246.489 1.00 43.36 C +ATOM 16238 CG LEU B 494 168.563 216.006 247.140 1.00 50.86 C +ATOM 16239 CD1 LEU B 494 167.786 216.776 246.082 1.00 51.01 C +ATOM 16240 CD2 LEU B 494 167.609 215.264 248.062 1.00 55.32 C +ATOM 16241 H LEU B 494 171.669 216.074 247.277 1.00 67.77 H +ATOM 16242 HA LEU B 494 170.130 214.091 248.213 1.00 56.54 H +ATOM 16243 HB2 LEU B 494 170.021 215.524 245.791 1.00 52.03 H +ATOM 16244 HB3 LEU B 494 169.041 214.316 246.093 1.00 52.03 H +ATOM 16245 HG LEU B 494 169.055 216.648 247.675 1.00 61.04 H +ATOM 16246 HD11 LEU B 494 167.168 217.379 246.522 1.00 61.21 H +ATOM 16247 HD12 LEU B 494 168.411 217.281 245.538 1.00 61.21 H +ATOM 16248 HD13 LEU B 494 167.298 216.146 245.529 1.00 61.21 H +ATOM 16249 HD21 LEU B 494 166.995 215.901 248.459 1.00 66.39 H +ATOM 16250 HD22 LEU B 494 167.118 214.607 247.545 1.00 66.39 H +ATOM 16251 HD23 LEU B 494 168.122 214.823 248.757 1.00 66.39 H +ATOM 16252 N TYR B 495 172.275 213.539 245.905 1.00 49.70 N +ATOM 16253 CA TYR B 495 172.895 212.510 245.072 1.00 48.47 C +ATOM 16254 C TYR B 495 174.294 212.092 245.524 1.00 53.73 C +ATOM 16255 O TYR B 495 174.661 210.923 245.404 1.00 49.16 O +ATOM 16256 CB TYR B 495 172.955 212.992 243.627 1.00 47.60 C +ATOM 16257 CG TYR B 495 171.632 212.899 242.908 1.00 45.25 C +ATOM 16258 CD1 TYR B 495 171.093 211.666 242.572 1.00 42.46 C +ATOM 16259 CD2 TYR B 495 170.923 214.040 242.556 1.00 44.02 C +ATOM 16260 CE1 TYR B 495 169.886 211.571 241.910 1.00 37.05 C +ATOM 16261 CE2 TYR B 495 169.715 213.952 241.892 1.00 43.03 C +ATOM 16262 CZ TYR B 495 169.203 212.715 241.573 1.00 39.09 C +ATOM 16263 OH TYR B 495 168.003 212.619 240.913 1.00 50.06 O +ATOM 16264 H TYR B 495 172.602 214.326 245.792 1.00 59.64 H +ATOM 16265 HA TYR B 495 172.334 211.719 245.093 1.00 58.16 H +ATOM 16266 HB2 TYR B 495 173.235 213.920 243.617 1.00 57.12 H +ATOM 16267 HB3 TYR B 495 173.596 212.449 243.142 1.00 57.12 H +ATOM 16268 HD1 TYR B 495 171.552 210.889 242.797 1.00 50.95 H +ATOM 16269 HD2 TYR B 495 171.268 214.876 242.770 1.00 52.82 H +ATOM 16270 HE1 TYR B 495 169.536 210.737 241.692 1.00 44.46 H +ATOM 16271 HE2 TYR B 495 169.250 214.724 241.663 1.00 51.63 H +ATOM 16272 HH TYR B 495 167.811 211.812 240.783 1.00 60.07 H +ATOM 16273 N GLY B 496 175.076 213.042 246.026 1.00 57.27 N +ATOM 16274 CA GLY B 496 176.426 212.751 246.478 1.00 48.80 C +ATOM 16275 C GLY B 496 177.439 212.725 245.346 1.00 56.96 C +ATOM 16276 O GLY B 496 178.470 213.393 245.417 1.00 61.56 O +ATOM 16277 H GLY B 496 174.846 213.866 246.115 1.00 68.72 H +ATOM 16278 HA2 GLY B 496 176.703 213.425 247.119 1.00 58.56 H +ATOM 16279 HA3 GLY B 496 176.438 211.887 246.919 1.00 58.56 H +ATOM 16280 N ASP B 497 177.145 211.949 244.306 1.00 53.45 N +ATOM 16281 CA ASP B 497 178.026 211.817 243.147 1.00 46.49 C +ATOM 16282 C ASP B 497 177.361 212.413 241.911 1.00 51.17 C +ATOM 16283 O ASP B 497 176.190 212.151 241.639 1.00 46.31 O +ATOM 16284 CB ASP B 497 178.374 210.345 242.909 1.00 50.66 C +ATOM 16285 CG ASP B 497 179.458 210.157 241.862 1.00 53.62 C +ATOM 16286 OD1 ASP B 497 179.809 211.132 241.165 1.00 56.63 O +ATOM 16287 OD2 ASP B 497 179.958 209.020 241.731 1.00 61.34 O +ATOM 16288 H ASP B 497 176.426 211.480 244.247 1.00 64.13 H +ATOM 16289 HA ASP B 497 178.849 212.302 243.314 1.00 55.79 H +ATOM 16290 HB2 ASP B 497 178.689 209.957 243.740 1.00 60.79 H +ATOM 16291 HB3 ASP B 497 177.580 209.878 242.605 1.00 60.79 H +ATOM 16292 N ILE B 498 178.117 213.215 241.168 1.00 57.43 N +ATOM 16293 CA ILE B 498 177.597 213.878 239.976 1.00 51.44 C +ATOM 16294 C ILE B 498 177.131 212.858 238.938 1.00 50.81 C +ATOM 16295 O ILE B 498 176.232 213.135 238.147 1.00 47.10 O +ATOM 16296 CB ILE B 498 178.661 214.816 239.338 1.00 46.60 C +ATOM 16297 CG1 ILE B 498 178.112 215.516 238.089 1.00 45.32 C +ATOM 16298 CG2 ILE B 498 179.924 214.041 238.983 1.00 55.73 C +ATOM 16299 CD1 ILE B 498 176.868 216.349 238.334 1.00 53.17 C +ATOM 16300 H ILE B 498 178.942 213.394 241.334 1.00 68.92 H +ATOM 16301 HA ILE B 498 176.832 214.420 240.226 1.00 61.73 H +ATOM 16302 HB ILE B 498 178.895 215.496 239.989 1.00 55.92 H +ATOM 16303 HG12 ILE B 498 178.797 216.106 237.737 1.00 54.39 H +ATOM 16304 HG13 ILE B 498 177.890 214.842 237.428 1.00 54.39 H +ATOM 16305 HG21 ILE B 498 180.567 214.650 238.588 1.00 66.87 H +ATOM 16306 HG22 ILE B 498 180.291 213.648 239.790 1.00 66.87 H +ATOM 16307 HG23 ILE B 498 179.697 213.343 238.348 1.00 66.87 H +ATOM 16308 HD11 ILE B 498 176.590 216.753 237.498 1.00 63.81 H +ATOM 16309 HD12 ILE B 498 176.166 215.773 238.674 1.00 63.81 H +ATOM 16310 HD13 ILE B 498 177.074 217.039 238.984 1.00 63.81 H +ATOM 16311 N ASP B 499 177.740 211.677 238.953 1.00 50.42 N +ATOM 16312 CA ASP B 499 177.394 210.626 238.002 1.00 53.71 C +ATOM 16313 C ASP B 499 176.156 209.844 238.439 1.00 46.32 C +ATOM 16314 O ASP B 499 175.757 208.889 237.774 1.00 46.80 O +ATOM 16315 CB ASP B 499 178.575 209.672 237.813 1.00 50.48 C +ATOM 16316 CG ASP B 499 179.690 210.281 236.988 1.00 55.81 C +ATOM 16317 OD1 ASP B 499 179.494 210.467 235.766 1.00 48.79 O +ATOM 16318 OD2 ASP B 499 180.766 210.568 237.555 1.00 63.36 O +ATOM 16319 H ASP B 499 178.360 211.458 239.507 1.00 60.50 H +ATOM 16320 HA ASP B 499 177.200 211.033 237.143 1.00 64.45 H +ATOM 16321 HB2 ASP B 499 178.936 209.440 238.683 1.00 60.57 H +ATOM 16322 HB3 ASP B 499 178.266 208.873 237.358 1.00 60.57 H +ATOM 16323 N ALA B 500 175.552 210.251 239.552 1.00 45.65 N +ATOM 16324 CA ALA B 500 174.341 209.606 240.056 1.00 46.28 C +ATOM 16325 C ALA B 500 173.103 210.458 239.791 1.00 43.84 C +ATOM 16326 O ALA B 500 171.980 210.029 240.050 1.00 41.77 O +ATOM 16327 CB ALA B 500 174.474 209.324 241.538 1.00 51.23 C +ATOM 16328 H ALA B 500 175.826 210.905 240.038 1.00 54.78 H +ATOM 16329 HA ALA B 500 174.223 208.758 239.600 1.00 55.53 H +ATOM 16330 HB1 ALA B 500 173.661 208.896 241.851 1.00 61.48 H +ATOM 16331 HB2 ALA B 500 175.233 208.737 241.680 1.00 61.48 H +ATOM 16332 HB3 ALA B 500 174.610 210.162 242.007 1.00 61.48 H +ATOM 16333 N VAL B 501 173.312 211.665 239.276 1.00 37.91 N +ATOM 16334 CA VAL B 501 172.206 212.562 238.960 1.00 40.16 C +ATOM 16335 C VAL B 501 171.386 212.008 237.796 1.00 41.49 C +ATOM 16336 O VAL B 501 171.938 211.560 236.792 1.00 33.71 O +ATOM 16337 CB VAL B 501 172.711 213.974 238.608 1.00 40.42 C +ATOM 16338 CG1 VAL B 501 171.544 214.901 238.319 1.00 41.86 C +ATOM 16339 CG2 VAL B 501 173.555 214.532 239.742 1.00 51.92 C +ATOM 16340 H VAL B 501 174.088 211.990 239.099 1.00 45.49 H +ATOM 16341 HA VAL B 501 171.624 212.633 239.733 1.00 48.19 H +ATOM 16342 HB VAL B 501 173.264 213.927 237.813 1.00 48.50 H +ATOM 16343 HG11 VAL B 501 171.887 215.782 238.101 1.00 50.23 H +ATOM 16344 HG12 VAL B 501 171.038 214.547 237.570 1.00 50.23 H +ATOM 16345 HG13 VAL B 501 170.979 214.951 239.106 1.00 50.23 H +ATOM 16346 HG21 VAL B 501 173.862 215.420 239.500 1.00 62.30 H +ATOM 16347 HG22 VAL B 501 173.014 214.576 240.546 1.00 62.30 H +ATOM 16348 HG23 VAL B 501 174.316 213.947 239.886 1.00 62.30 H +ATOM 16349 N GLU B 502 170.065 212.055 237.939 1.00 39.00 N +ATOM 16350 CA GLU B 502 169.158 211.474 236.955 1.00 35.38 C +ATOM 16351 C GLU B 502 168.886 212.421 235.793 1.00 43.73 C +ATOM 16352 O GLU B 502 169.080 213.632 235.902 1.00 44.95 O +ATOM 16353 CB GLU B 502 167.839 211.082 237.618 1.00 41.95 C +ATOM 16354 CG GLU B 502 167.975 209.996 238.669 1.00 41.08 C +ATOM 16355 CD GLU B 502 166.718 209.833 239.493 1.00 47.90 C +ATOM 16356 OE1 GLU B 502 165.836 209.049 239.090 1.00 48.94 O +ATOM 16357 OE2 GLU B 502 166.614 210.494 240.547 1.00 55.78 O +ATOM 16358 H GLU B 502 169.665 212.423 238.606 1.00 46.80 H +ATOM 16359 HA GLU B 502 169.561 210.669 236.595 1.00 42.46 H +ATOM 16360 HB2 GLU B 502 167.462 211.865 238.049 1.00 50.34 H +ATOM 16361 HB3 GLU B 502 167.231 210.758 236.935 1.00 50.34 H +ATOM 16362 HG2 GLU B 502 168.158 209.151 238.230 1.00 49.30 H +ATOM 16363 HG3 GLU B 502 168.701 210.224 239.269 1.00 49.30 H +ATOM 16364 N LEU B 503 168.415 211.847 234.693 1.00 43.18 N +ATOM 16365 CA LEU B 503 168.241 212.566 233.436 1.00 38.85 C +ATOM 16366 C LEU B 503 167.278 213.750 233.524 1.00 39.62 C +ATOM 16367 O LEU B 503 167.650 214.881 233.210 1.00 33.52 O +ATOM 16368 CB LEU B 503 167.755 211.591 232.360 1.00 36.13 C +ATOM 16369 CG LEU B 503 167.428 212.163 230.980 1.00 33.17 C +ATOM 16370 CD1 LEU B 503 168.591 212.970 230.433 1.00 35.32 C +ATOM 16371 CD2 LEU B 503 167.067 211.036 230.029 1.00 29.22 C +ATOM 16372 H LEU B 503 168.182 211.020 234.648 1.00 51.81 H +ATOM 16373 HA LEU B 503 169.103 212.910 233.154 1.00 46.62 H +ATOM 16374 HB2 LEU B 503 168.442 210.919 232.233 1.00 43.35 H +ATOM 16375 HB3 LEU B 503 166.948 211.162 232.688 1.00 43.35 H +ATOM 16376 HG LEU B 503 166.660 212.752 231.054 1.00 39.80 H +ATOM 16377 HD11 LEU B 503 168.351 213.317 229.560 1.00 42.38 H +ATOM 16378 HD12 LEU B 503 168.779 213.703 231.040 1.00 42.38 H +ATOM 16379 HD13 LEU B 503 169.367 212.393 230.359 1.00 42.38 H +ATOM 16380 HD21 LEU B 503 166.862 211.411 229.158 1.00 35.07 H +ATOM 16381 HD22 LEU B 503 167.821 210.429 229.959 1.00 35.07 H +ATOM 16382 HD23 LEU B 503 166.294 210.565 230.377 1.00 35.07 H +ATOM 16383 N TYR B 504 166.042 213.493 233.942 1.00 39.38 N +ATOM 16384 CA TYR B 504 164.998 214.515 233.882 1.00 38.27 C +ATOM 16385 C TYR B 504 165.244 215.686 234.835 1.00 40.05 C +ATOM 16386 O TYR B 504 165.101 216.841 234.438 1.00 36.70 O +ATOM 16387 CB TYR B 504 163.626 213.899 234.164 1.00 44.02 C +ATOM 16388 CG TYR B 504 162.523 214.923 234.283 1.00 46.24 C +ATOM 16389 CD1 TYR B 504 161.931 215.196 235.507 1.00 49.62 C +ATOM 16390 CD2 TYR B 504 162.082 215.625 233.172 1.00 46.44 C +ATOM 16391 CE1 TYR B 504 160.924 216.134 235.621 1.00 52.18 C +ATOM 16392 CE2 TYR B 504 161.076 216.566 233.274 1.00 50.48 C +ATOM 16393 CZ TYR B 504 160.501 216.816 234.500 1.00 60.56 C +ATOM 16394 OH TYR B 504 159.498 217.752 234.608 1.00 62.25 O +ATOM 16395 H TYR B 504 165.782 212.739 234.264 1.00 47.25 H +ATOM 16396 HA TYR B 504 164.975 214.875 232.981 1.00 45.93 H +ATOM 16397 HB2 TYR B 504 163.397 213.297 233.439 1.00 52.83 H +ATOM 16398 HB3 TYR B 504 163.669 213.409 234.999 1.00 52.83 H +ATOM 16399 HD1 TYR B 504 162.215 214.736 236.264 1.00 59.55 H +ATOM 16400 HD2 TYR B 504 162.468 215.458 232.343 1.00 55.73 H +ATOM 16401 HE1 TYR B 504 160.535 216.304 236.448 1.00 62.61 H +ATOM 16402 HE2 TYR B 504 160.789 217.027 232.520 1.00 60.57 H +ATOM 16403 HH TYR B 504 159.338 218.090 233.856 1.00 74.70 H +ATOM 16404 N PRO B 505 165.608 215.405 236.098 1.00 44.72 N +ATOM 16405 CA PRO B 505 165.885 216.533 236.995 1.00 43.47 C +ATOM 16406 C PRO B 505 167.064 217.380 236.533 1.00 35.15 C +ATOM 16407 O PRO B 505 167.038 218.603 236.652 1.00 38.51 O +ATOM 16408 CB PRO B 505 166.202 215.849 238.330 1.00 41.34 C +ATOM 16409 CG PRO B 505 165.558 214.518 238.239 1.00 50.84 C +ATOM 16410 CD PRO B 505 165.675 214.117 236.808 1.00 51.19 C +ATOM 16411 HA PRO B 505 165.099 217.092 237.094 1.00 52.17 H +ATOM 16412 HB2 PRO B 505 167.162 215.760 238.433 1.00 49.60 H +ATOM 16413 HB3 PRO B 505 165.824 216.364 239.059 1.00 49.60 H +ATOM 16414 HG2 PRO B 505 166.027 213.890 238.810 1.00 61.01 H +ATOM 16415 HG3 PRO B 505 164.626 214.589 238.499 1.00 61.01 H +ATOM 16416 HD2 PRO B 505 166.528 213.683 236.646 1.00 61.43 H +ATOM 16417 HD3 PRO B 505 164.931 213.549 236.553 1.00 61.43 H +ATOM 16418 N ALA B 506 168.090 216.725 236.004 1.00 34.33 N +ATOM 16419 CA ALA B 506 169.290 217.416 235.563 1.00 33.75 C +ATOM 16420 C ALA B 506 168.982 218.360 234.406 1.00 30.47 C +ATOM 16421 O ALA B 506 169.521 219.462 234.340 1.00 33.69 O +ATOM 16422 CB ALA B 506 170.346 216.417 235.158 1.00 33.23 C +ATOM 16423 H ALA B 506 168.114 215.872 235.890 1.00 41.20 H +ATOM 16424 HA ALA B 506 169.641 217.944 236.297 1.00 40.50 H +ATOM 16425 HB1 ALA B 506 171.138 216.895 234.867 1.00 39.88 H +ATOM 16426 HB2 ALA B 506 170.559 215.857 235.921 1.00 39.88 H +ATOM 16427 HB3 ALA B 506 170.002 215.872 234.433 1.00 39.88 H +ATOM 16428 N LEU B 507 168.110 217.925 233.501 1.00 30.57 N +ATOM 16429 CA LEU B 507 167.747 218.725 232.335 1.00 32.29 C +ATOM 16430 C LEU B 507 167.134 220.061 232.731 1.00 34.27 C +ATOM 16431 O LEU B 507 167.381 221.077 232.086 1.00 33.69 O +ATOM 16432 CB LEU B 507 166.767 217.962 231.444 1.00 32.35 C +ATOM 16433 CG LEU B 507 167.338 216.843 230.571 1.00 29.98 C +ATOM 16434 CD1 LEU B 507 166.214 215.968 230.048 1.00 29.70 C +ATOM 16435 CD2 LEU B 507 168.141 217.414 229.421 1.00 30.82 C +ATOM 16436 H LEU B 507 167.712 217.164 233.540 1.00 36.68 H +ATOM 16437 HA LEU B 507 168.546 218.904 231.816 1.00 38.74 H +ATOM 16438 HB2 LEU B 507 166.092 217.562 232.014 1.00 38.82 H +ATOM 16439 HB3 LEU B 507 166.344 218.599 230.848 1.00 38.82 H +ATOM 16440 HG LEU B 507 167.927 216.290 231.107 1.00 35.98 H +ATOM 16441 HD11 LEU B 507 166.592 215.264 229.497 1.00 35.64 H +ATOM 16442 HD12 LEU B 507 165.739 215.580 230.801 1.00 35.64 H +ATOM 16443 HD13 LEU B 507 165.609 216.513 229.521 1.00 35.64 H +ATOM 16444 HD21 LEU B 507 168.489 216.684 228.886 1.00 36.98 H +ATOM 16445 HD22 LEU B 507 167.562 217.974 228.880 1.00 36.98 H +ATOM 16446 HD23 LEU B 507 168.872 217.941 229.779 1.00 36.98 H +ATOM 16447 N LEU B 508 166.337 220.056 233.794 1.00 36.55 N +ATOM 16448 CA LEU B 508 165.591 221.248 234.185 1.00 38.62 C +ATOM 16449 C LEU B 508 166.402 222.212 235.049 1.00 38.24 C +ATOM 16450 O LEU B 508 166.110 223.407 235.074 1.00 42.20 O +ATOM 16451 CB LEU B 508 164.313 220.847 234.921 1.00 40.79 C +ATOM 16452 CG LEU B 508 163.279 220.018 234.150 1.00 42.79 C +ATOM 16453 CD1 LEU B 508 161.919 220.148 234.816 1.00 43.29 C +ATOM 16454 CD2 LEU B 508 163.190 220.412 232.683 1.00 46.22 C +ATOM 16455 H LEU B 508 166.210 219.376 234.305 1.00 43.86 H +ATOM 16456 HA LEU B 508 165.330 221.725 233.382 1.00 46.34 H +ATOM 16457 HB2 LEU B 508 164.567 220.329 235.701 1.00 48.95 H +ATOM 16458 HB3 LEU B 508 163.868 221.658 235.211 1.00 48.95 H +ATOM 16459 HG LEU B 508 163.538 219.084 234.189 1.00 51.35 H +ATOM 16460 HD11 LEU B 508 161.273 219.620 234.321 1.00 51.95 H +ATOM 16461 HD12 LEU B 508 161.982 219.824 235.728 1.00 51.95 H +ATOM 16462 HD13 LEU B 508 161.655 221.081 234.814 1.00 51.95 H +ATOM 16463 HD21 LEU B 508 162.523 219.858 232.247 1.00 55.46 H +ATOM 16464 HD22 LEU B 508 162.934 221.346 232.623 1.00 55.46 H +ATOM 16465 HD23 LEU B 508 164.056 220.278 232.267 1.00 55.46 H +ATOM 16466 N VAL B 509 167.416 221.708 235.751 1.00 37.76 N +ATOM 16467 CA VAL B 509 168.253 222.564 236.593 1.00 43.80 C +ATOM 16468 C VAL B 509 169.570 222.910 235.910 1.00 45.36 C +ATOM 16469 O VAL B 509 170.343 223.718 236.426 1.00 45.43 O +ATOM 16470 CB VAL B 509 168.566 221.917 237.965 1.00 33.58 C +ATOM 16471 CG1 VAL B 509 167.282 221.490 238.657 1.00 32.27 C +ATOM 16472 CG2 VAL B 509 169.523 220.736 237.815 1.00 32.78 C +ATOM 16473 H VAL B 509 167.639 220.878 235.758 1.00 45.32 H +ATOM 16474 HA VAL B 509 167.779 223.394 236.760 1.00 52.56 H +ATOM 16475 HB VAL B 509 168.999 222.577 238.528 1.00 40.29 H +ATOM 16476 HG11 VAL B 509 167.503 221.088 239.512 1.00 38.72 H +ATOM 16477 HG12 VAL B 509 166.723 222.271 238.793 1.00 38.72 H +ATOM 16478 HG13 VAL B 509 166.821 220.846 238.098 1.00 38.72 H +ATOM 16479 HG21 VAL B 509 169.695 220.358 238.691 1.00 39.33 H +ATOM 16480 HG22 VAL B 509 169.114 220.070 237.241 1.00 39.33 H +ATOM 16481 HG23 VAL B 509 170.351 221.050 237.421 1.00 39.33 H +ATOM 16482 N GLU B 510 169.830 222.297 234.759 1.00 45.08 N +ATOM 16483 CA GLU B 510 171.050 222.582 234.010 1.00 38.60 C +ATOM 16484 C GLU B 510 171.145 224.067 233.682 1.00 43.35 C +ATOM 16485 O GLU B 510 170.134 224.729 233.450 1.00 37.35 O +ATOM 16486 CB GLU B 510 171.103 221.759 232.722 1.00 43.91 C +ATOM 16487 CG GLU B 510 172.370 221.975 231.899 1.00 45.40 C +ATOM 16488 CD GLU B 510 172.421 221.108 230.654 1.00 38.43 C +ATOM 16489 OE1 GLU B 510 171.393 220.998 229.955 1.00 36.84 O +ATOM 16490 OE2 GLU B 510 173.493 220.536 230.377 1.00 38.13 O +ATOM 16491 H GLU B 510 169.317 221.713 234.391 1.00 54.10 H +ATOM 16492 HA GLU B 510 171.818 222.343 234.552 1.00 46.32 H +ATOM 16493 HB2 GLU B 510 171.056 220.817 232.952 1.00 52.69 H +ATOM 16494 HB3 GLU B 510 170.345 221.999 232.167 1.00 52.69 H +ATOM 16495 HG2 GLU B 510 172.410 222.903 231.619 1.00 54.48 H +ATOM 16496 HG3 GLU B 510 173.142 221.760 232.445 1.00 54.48 H +ATOM 16497 N LYS B 511 172.366 224.584 233.681 1.00 49.17 N +ATOM 16498 CA LYS B 511 172.607 225.974 233.330 1.00 53.38 C +ATOM 16499 C LYS B 511 172.096 226.260 231.918 1.00 51.97 C +ATOM 16500 O LYS B 511 172.519 225.608 230.963 1.00 41.90 O +ATOM 16501 CB LYS B 511 174.095 226.290 233.420 1.00 53.75 C +ATOM 16502 CG LYS B 511 174.440 227.760 233.233 1.00 68.36 C +ATOM 16503 CD LYS B 511 175.825 227.919 232.630 1.00 82.67 C +ATOM 16504 CE LYS B 511 176.908 227.244 233.471 1.00 94.74 C +ATOM 16505 NZ LYS B 511 178.120 226.949 232.667 1.00 99.42 N +ATOM 16506 H LYS B 511 173.078 224.145 233.882 1.00 59.01 H +ATOM 16507 HA LYS B 511 172.133 226.550 233.950 1.00 64.06 H +ATOM 16508 HB2 LYS B 511 174.417 226.021 234.294 1.00 64.50 H +ATOM 16509 HB3 LYS B 511 174.561 225.789 232.732 1.00 64.50 H +ATOM 16510 HG2 LYS B 511 173.797 228.169 232.633 1.00 82.03 H +ATOM 16511 HG3 LYS B 511 174.429 228.206 234.094 1.00 82.03 H +ATOM 16512 HD2 LYS B 511 175.834 227.517 231.748 1.00 99.21 H +ATOM 16513 HD3 LYS B 511 176.037 228.864 232.568 1.00 99.21 H +ATOM 16514 HE2 LYS B 511 177.162 227.834 234.198 1.00113.69 H +ATOM 16515 HE3 LYS B 511 176.565 226.407 233.822 1.00113.69 H +ATOM 16516 HZ1 LYS B 511 178.734 226.557 233.177 1.00119.30 H +ATOM 16517 HZ2 LYS B 511 177.913 226.404 231.994 1.00119.30 H +ATOM 16518 HZ3 LYS B 511 178.456 227.703 232.336 1.00119.30 H +ATOM 16519 N PRO B 512 171.182 227.232 231.774 1.00 46.64 N +ATOM 16520 CA PRO B 512 170.717 227.555 230.422 1.00 52.15 C +ATOM 16521 C PRO B 512 171.818 228.152 229.556 1.00 48.77 C +ATOM 16522 O PRO B 512 172.777 228.713 230.083 1.00 54.92 O +ATOM 16523 CB PRO B 512 169.608 228.589 230.665 1.00 50.36 C +ATOM 16524 CG PRO B 512 169.248 228.458 232.100 1.00 56.59 C +ATOM 16525 CD PRO B 512 170.484 228.024 232.798 1.00 52.18 C +ATOM 16526 HA PRO B 512 170.345 226.771 229.988 1.00 62.58 H +ATOM 16527 HB2 PRO B 512 169.946 229.479 230.478 1.00 60.43 H +ATOM 16528 HB3 PRO B 512 168.845 228.387 230.101 1.00 60.43 H +ATOM 16529 HG2 PRO B 512 168.949 229.316 232.439 1.00 67.90 H +ATOM 16530 HG3 PRO B 512 168.550 227.791 232.199 1.00 67.90 H +ATOM 16531 HD2 PRO B 512 171.017 228.793 233.053 1.00 62.61 H +ATOM 16532 HD3 PRO B 512 170.265 227.471 233.564 1.00 62.61 H +ATOM 16533 N ARG B 513 171.682 228.028 228.241 1.00 51.64 N +ATOM 16534 CA ARG B 513 172.502 228.809 227.330 1.00 56.93 C +ATOM 16535 C ARG B 513 172.247 230.286 227.626 1.00 60.15 C +ATOM 16536 O ARG B 513 171.207 230.629 228.189 1.00 47.18 O +ATOM 16537 CB ARG B 513 172.174 228.482 225.871 1.00 59.56 C +ATOM 16538 CG ARG B 513 173.244 227.693 225.134 1.00 43.01 C +ATOM 16539 CD ARG B 513 173.410 226.299 225.699 1.00 47.76 C +ATOM 16540 NE ARG B 513 174.295 225.478 224.876 1.00 39.32 N +ATOM 16541 CZ ARG B 513 173.921 224.850 223.765 1.00 44.86 C +ATOM 16542 NH1 ARG B 513 174.799 224.122 223.086 1.00 39.60 N +ATOM 16543 NH2 ARG B 513 172.673 224.946 223.326 1.00 49.72 N +ATOM 16544 H ARG B 513 171.124 227.500 227.854 1.00 61.97 H +ATOM 16545 HA ARG B 513 173.440 228.617 227.487 1.00 68.31 H +ATOM 16546 HB2 ARG B 513 171.357 227.960 225.848 1.00 71.47 H +ATOM 16547 HB3 ARG B 513 172.041 229.315 225.391 1.00 71.47 H +ATOM 16548 HG2 ARG B 513 172.995 227.613 224.200 1.00 51.61 H +ATOM 16549 HG3 ARG B 513 174.093 228.155 225.215 1.00 51.61 H +ATOM 16550 HD2 ARG B 513 173.793 226.359 226.589 1.00 57.31 H +ATOM 16551 HD3 ARG B 513 172.543 225.865 225.737 1.00 57.31 H +ATOM 16552 HE ARG B 513 175.114 225.396 225.127 1.00 47.18 H +ATOM 16553 HH11 ARG B 513 175.610 224.057 223.365 1.00 47.52 H +ATOM 16554 HH12 ARG B 513 174.558 223.718 222.367 1.00 47.52 H +ATOM 16555 HH21 ARG B 513 172.099 225.415 223.762 1.00 59.66 H +ATOM 16556 HH22 ARG B 513 172.438 224.538 222.607 1.00 59.66 H +ATOM 16557 N PRO B 514 173.193 231.165 227.256 1.00 57.88 N +ATOM 16558 CA PRO B 514 173.018 232.601 227.510 1.00 56.64 C +ATOM 16559 C PRO B 514 171.683 233.144 226.998 1.00 50.91 C +ATOM 16560 O PRO B 514 171.431 233.130 225.793 1.00 47.11 O +ATOM 16561 CB PRO B 514 174.193 233.231 226.756 1.00 55.26 C +ATOM 16562 CG PRO B 514 175.233 232.173 226.737 1.00 50.68 C +ATOM 16563 CD PRO B 514 174.493 230.872 226.629 1.00 53.08 C +ATOM 16564 HA PRO B 514 173.103 232.791 228.457 1.00 67.97 H +ATOM 16565 HB2 PRO B 514 173.919 233.461 225.854 1.00 66.31 H +ATOM 16566 HB3 PRO B 514 174.507 234.015 227.233 1.00 66.31 H +ATOM 16567 HG2 PRO B 514 175.813 232.300 225.970 1.00 60.81 H +ATOM 16568 HG3 PRO B 514 175.745 232.206 227.561 1.00 60.81 H +ATOM 16569 HD2 PRO B 514 174.372 230.628 225.698 1.00 63.69 H +ATOM 16570 HD3 PRO B 514 174.957 230.176 227.121 1.00 63.69 H +ATOM 16571 N ASP B 515 170.841 233.599 227.923 1.00 57.21 N +ATOM 16572 CA ASP B 515 169.527 234.149 227.593 1.00 52.95 C +ATOM 16573 C ASP B 515 168.707 233.184 226.737 1.00 53.88 C +ATOM 16574 O ASP B 515 167.949 233.601 225.861 1.00 46.79 O +ATOM 16575 CB ASP B 515 169.682 235.492 226.879 1.00 52.60 C +ATOM 16576 CG ASP B 515 170.181 236.584 227.802 1.00 66.61 C +ATOM 16577 OD1 ASP B 515 169.578 236.769 228.879 1.00 66.05 O +ATOM 16578 OD2 ASP B 515 171.180 237.249 227.454 1.00 63.11 O +ATOM 16579 H ASP B 515 171.012 233.601 228.766 1.00 68.65 H +ATOM 16580 HA ASP B 515 169.038 234.304 228.416 1.00 63.54 H +ATOM 16581 HB2 ASP B 515 170.320 235.395 226.155 1.00 63.12 H +ATOM 16582 HB3 ASP B 515 168.820 235.766 226.528 1.00 63.12 H +ATOM 16583 N ALA B 516 168.861 231.892 227.009 1.00 57.19 N +ATOM 16584 CA ALA B 516 168.163 230.851 226.264 1.00 46.84 C +ATOM 16585 C ALA B 516 167.151 230.125 227.142 1.00 41.50 C +ATOM 16586 O ALA B 516 167.197 230.207 228.371 1.00 35.83 O +ATOM 16587 CB ALA B 516 169.156 229.862 225.683 1.00 41.21 C +ATOM 16588 H ALA B 516 169.374 231.588 227.629 1.00 68.62 H +ATOM 16589 HA ALA B 516 167.682 231.259 225.528 1.00 56.21 H +ATOM 16590 HB1 ALA B 516 168.671 229.179 225.193 1.00 49.45 H +ATOM 16591 HB2 ALA B 516 169.758 230.333 225.087 1.00 49.45 H +ATOM 16592 HB3 ALA B 516 169.657 229.456 226.408 1.00 49.45 H +ATOM 16593 N ILE B 517 166.236 229.413 226.495 1.00 46.58 N +ATOM 16594 CA ILE B 517 165.202 228.666 227.193 1.00 40.81 C +ATOM 16595 C ILE B 517 165.761 227.344 227.722 1.00 41.49 C +ATOM 16596 O ILE B 517 165.277 226.819 228.721 1.00 31.77 O +ATOM 16597 CB ILE B 517 163.988 228.404 226.265 1.00 38.91 C +ATOM 16598 CG1 ILE B 517 162.789 227.911 227.075 1.00 45.91 C +ATOM 16599 CG2 ILE B 517 164.346 227.411 225.165 1.00 53.67 C +ATOM 16600 CD1 ILE B 517 161.497 227.862 226.283 1.00 49.88 C +ATOM 16601 H ILE B 517 166.193 229.348 225.638 1.00 55.89 H +ATOM 16602 HA ILE B 517 164.894 229.187 227.951 1.00 48.97 H +ATOM 16603 HB ILE B 517 163.743 229.243 225.845 1.00 46.69 H +ATOM 16604 HG12 ILE B 517 162.975 227.014 227.395 1.00 55.09 H +ATOM 16605 HG13 ILE B 517 162.653 228.507 227.828 1.00 55.09 H +ATOM 16606 HG21 ILE B 517 163.567 227.269 224.604 1.00 64.40 H +ATOM 16607 HG22 ILE B 517 165.073 227.775 224.636 1.00 64.40 H +ATOM 16608 HG23 ILE B 517 164.619 226.574 225.572 1.00 64.40 H +ATOM 16609 HD11 ILE B 517 160.786 227.542 226.860 1.00 59.85 H +ATOM 16610 HD12 ILE B 517 161.289 228.754 225.964 1.00 59.85 H +ATOM 16611 HD13 ILE B 517 161.611 227.260 225.531 1.00 59.85 H +ATOM 16612 N PHE B 518 166.789 226.823 227.056 1.00 44.91 N +ATOM 16613 CA PHE B 518 167.366 225.520 227.396 1.00 44.60 C +ATOM 16614 C PHE B 518 168.850 225.566 227.720 1.00 44.03 C +ATOM 16615 O PHE B 518 169.559 226.500 227.348 1.00 47.07 O +ATOM 16616 CB PHE B 518 167.177 224.532 226.243 1.00 44.84 C +ATOM 16617 CG PHE B 518 165.751 224.191 225.954 1.00 42.75 C +ATOM 16618 CD1 PHE B 518 164.819 224.096 226.968 1.00 41.15 C +ATOM 16619 CD2 PHE B 518 165.344 223.964 224.655 1.00 49.27 C +ATOM 16620 CE1 PHE B 518 163.509 223.778 226.686 1.00 44.93 C +ATOM 16621 CE2 PHE B 518 164.040 223.643 224.377 1.00 44.59 C +ATOM 16622 CZ PHE B 518 163.121 223.556 225.389 1.00 35.31 C +ATOM 16623 H PHE B 518 167.177 227.210 226.393 1.00 53.89 H +ATOM 16624 HA PHE B 518 166.903 225.166 228.171 1.00 53.52 H +ATOM 16625 HB2 PHE B 518 167.557 224.917 225.438 1.00 53.81 H +ATOM 16626 HB3 PHE B 518 167.639 223.707 226.461 1.00 53.81 H +ATOM 16627 HD1 PHE B 518 165.078 224.247 227.848 1.00 49.39 H +ATOM 16628 HD2 PHE B 518 165.961 224.022 223.962 1.00 59.13 H +ATOM 16629 HE1 PHE B 518 162.887 223.717 227.375 1.00 53.92 H +ATOM 16630 HE2 PHE B 518 163.777 223.493 223.497 1.00 53.51 H +ATOM 16631 HZ PHE B 518 162.237 223.340 225.198 1.00 42.37 H +ATOM 16632 N GLY B 519 169.307 224.524 228.407 1.00 41.09 N +ATOM 16633 CA GLY B 519 170.724 224.259 228.560 1.00 46.22 C +ATOM 16634 C GLY B 519 171.218 223.374 227.428 1.00 38.13 C +ATOM 16635 O GLY B 519 170.431 222.916 226.599 1.00 41.60 O +ATOM 16636 H GLY B 519 168.803 223.948 228.799 1.00 49.31 H +ATOM 16637 HA2 GLY B 519 171.219 225.093 228.546 1.00 55.46 H +ATOM 16638 HA3 GLY B 519 170.887 223.810 229.404 1.00 55.46 H +ATOM 16639 N GLU B 520 172.521 223.125 227.406 1.00 38.83 N +ATOM 16640 CA GLU B 520 173.169 222.373 226.336 1.00 36.94 C +ATOM 16641 C GLU B 520 172.563 220.989 226.078 1.00 38.79 C +ATOM 16642 O GLU B 520 172.365 220.601 224.927 1.00 39.62 O +ATOM 16643 CB GLU B 520 174.655 222.219 226.662 1.00 47.87 C +ATOM 16644 CG GLU B 520 175.472 221.455 225.623 1.00 53.32 C +ATOM 16645 CD GLU B 520 176.885 221.153 226.093 1.00 50.16 C +ATOM 16646 OE1 GLU B 520 177.117 221.123 227.321 1.00 37.84 O +ATOM 16647 OE2 GLU B 520 177.765 220.945 225.232 1.00 50.82 O +ATOM 16648 H GLU B 520 173.067 223.389 228.016 1.00 46.59 H +ATOM 16649 HA GLU B 520 173.098 222.882 225.514 1.00 44.33 H +ATOM 16650 HB2 GLU B 520 175.045 223.103 226.747 1.00 57.44 H +ATOM 16651 HB3 GLU B 520 174.738 221.745 227.505 1.00 57.44 H +ATOM 16652 HG2 GLU B 520 175.032 220.611 225.434 1.00 63.98 H +ATOM 16653 HG3 GLU B 520 175.531 221.987 224.814 1.00 63.98 H +ATOM 16654 N THR B 521 172.280 220.247 227.142 1.00 34.61 N +ATOM 16655 CA THR B 521 171.903 218.842 227.004 1.00 33.38 C +ATOM 16656 C THR B 521 170.519 218.660 226.388 1.00 35.24 C +ATOM 16657 O THR B 521 170.307 217.733 225.609 1.00 28.67 O +ATOM 16658 CB THR B 521 171.935 218.113 228.361 1.00 33.41 C +ATOM 16659 OG1 THR B 521 173.205 218.320 228.991 1.00 29.48 O +ATOM 16660 CG2 THR B 521 171.713 216.619 228.172 1.00 29.30 C +ATOM 16661 H THR B 521 172.298 220.530 227.954 1.00 41.53 H +ATOM 16662 HA THR B 521 172.544 218.406 226.420 1.00 40.06 H +ATOM 16663 HB THR B 521 171.231 218.459 228.931 1.00 40.10 H +ATOM 16664 HG1 THR B 521 173.333 219.141 229.117 1.00 35.38 H +ATOM 16665 HG21 THR B 521 171.735 216.169 229.032 1.00 35.16 H +ATOM 16666 HG22 THR B 521 170.851 216.462 227.757 1.00 35.16 H +ATOM 16667 HG23 THR B 521 172.408 216.250 227.606 1.00 35.16 H +ATOM 16668 N MET B 522 169.576 219.530 226.737 1.00 35.61 N +ATOM 16669 CA MET B 522 168.228 219.447 226.183 1.00 35.12 C +ATOM 16670 C MET B 522 168.268 219.520 224.661 1.00 34.71 C +ATOM 16671 O MET B 522 167.590 218.759 223.973 1.00 23.82 O +ATOM 16672 CB MET B 522 167.343 220.567 226.733 1.00 39.51 C +ATOM 16673 CG MET B 522 165.898 220.526 226.236 1.00 34.39 C +ATOM 16674 SD MET B 522 164.896 219.279 227.068 1.00 32.04 S +ATOM 16675 CE MET B 522 164.693 220.041 228.674 1.00 37.55 C +ATOM 16676 H MET B 522 169.691 220.177 227.293 1.00 42.73 H +ATOM 16677 HA MET B 522 167.833 218.601 226.446 1.00 42.14 H +ATOM 16678 HB2 MET B 522 167.325 220.502 227.700 1.00 47.41 H +ATOM 16679 HB3 MET B 522 167.722 221.420 226.469 1.00 47.41 H +ATOM 16680 HG2 MET B 522 165.487 221.391 226.392 1.00 41.27 H +ATOM 16681 HG3 MET B 522 165.897 220.326 225.287 1.00 41.27 H +ATOM 16682 HE1 MET B 522 164.158 219.458 229.235 1.00 45.06 H +ATOM 16683 HE2 MET B 522 165.568 220.173 229.073 1.00 45.06 H +ATOM 16684 HE3 MET B 522 164.247 220.895 228.564 1.00 45.06 H +ATOM 16685 N VAL B 523 169.076 220.439 224.147 1.00 28.81 N +ATOM 16686 CA VAL B 523 169.164 220.679 222.714 1.00 32.76 C +ATOM 16687 C VAL B 523 169.855 219.530 221.986 1.00 31.09 C +ATOM 16688 O VAL B 523 169.341 219.018 220.993 1.00 30.54 O +ATOM 16689 CB VAL B 523 169.924 221.991 222.419 1.00 36.25 C +ATOM 16690 CG1 VAL B 523 169.990 222.255 220.922 1.00 37.64 C +ATOM 16691 CG2 VAL B 523 169.265 223.158 223.133 1.00 40.36 C +ATOM 16692 H VAL B 523 169.591 220.944 224.615 1.00 34.58 H +ATOM 16693 HA VAL B 523 168.267 220.765 222.354 1.00 39.32 H +ATOM 16694 HB VAL B 523 170.833 221.911 222.750 1.00 43.50 H +ATOM 16695 HG11 VAL B 523 170.472 223.083 220.768 1.00 45.17 H +ATOM 16696 HG12 VAL B 523 170.452 221.518 220.492 1.00 45.17 H +ATOM 16697 HG13 VAL B 523 169.087 222.328 220.574 1.00 45.17 H +ATOM 16698 HG21 VAL B 523 169.758 223.969 222.934 1.00 48.44 H +ATOM 16699 HG22 VAL B 523 168.350 223.242 222.822 1.00 48.44 H +ATOM 16700 HG23 VAL B 523 169.276 222.990 224.088 1.00 48.44 H +ATOM 16701 N GLU B 524 171.025 219.136 222.478 1.00 27.05 N +ATOM 16702 CA GLU B 524 171.851 218.154 221.786 1.00 26.58 C +ATOM 16703 C GLU B 524 171.249 216.752 221.839 1.00 32.16 C +ATOM 16704 O GLU B 524 171.513 215.929 220.964 1.00 32.34 O +ATOM 16705 CB GLU B 524 173.261 218.146 222.376 1.00 34.38 C +ATOM 16706 CG GLU B 524 174.028 219.443 222.143 1.00 36.47 C +ATOM 16707 CD GLU B 524 174.198 219.760 220.670 1.00 43.22 C +ATOM 16708 OE1 GLU B 524 174.582 218.848 219.907 1.00 37.08 O +ATOM 16709 OE2 GLU B 524 173.934 220.915 220.273 1.00 38.08 O +ATOM 16710 H GLU B 524 171.364 219.423 223.214 1.00 32.46 H +ATOM 16711 HA GLU B 524 171.922 218.410 220.853 1.00 31.90 H +ATOM 16712 HB2 GLU B 524 173.198 218.006 223.334 1.00 41.26 H +ATOM 16713 HB3 GLU B 524 173.766 217.425 221.970 1.00 41.26 H +ATOM 16714 HG2 GLU B 524 173.544 220.176 222.554 1.00 43.76 H +ATOM 16715 HG3 GLU B 524 174.910 219.364 222.538 1.00 43.76 H +ATOM 16716 N VAL B 525 170.443 216.487 222.860 1.00 26.52 N +ATOM 16717 CA VAL B 525 169.761 215.203 222.991 1.00 26.72 C +ATOM 16718 C VAL B 525 168.428 215.228 222.248 1.00 27.93 C +ATOM 16719 O VAL B 525 168.047 214.254 221.600 1.00 27.22 O +ATOM 16720 CB VAL B 525 169.517 214.838 224.473 1.00 25.46 C +ATOM 16721 CG1 VAL B 525 168.702 213.554 224.592 1.00 24.16 C +ATOM 16722 CG2 VAL B 525 170.842 214.691 225.207 1.00 28.72 C +ATOM 16723 H VAL B 525 170.271 217.039 223.496 1.00 31.83 H +ATOM 16724 HA VAL B 525 170.313 214.509 222.597 1.00 32.07 H +ATOM 16725 HB VAL B 525 169.016 215.552 224.896 1.00 30.55 H +ATOM 16726 HG11 VAL B 525 168.566 213.353 225.531 1.00 28.99 H +ATOM 16727 HG12 VAL B 525 167.846 213.682 224.154 1.00 28.99 H +ATOM 16728 HG13 VAL B 525 169.188 212.832 224.166 1.00 28.99 H +ATOM 16729 HG21 VAL B 525 170.666 214.462 226.133 1.00 34.46 H +ATOM 16730 HG22 VAL B 525 171.360 213.988 224.785 1.00 34.46 H +ATOM 16731 HG23 VAL B 525 171.324 215.532 225.159 1.00 34.46 H +ATOM 16732 N GLY B 526 167.724 216.350 222.344 1.00 27.25 N +ATOM 16733 CA GLY B 526 166.400 216.472 221.763 1.00 26.15 C +ATOM 16734 C GLY B 526 166.381 216.624 220.253 1.00 25.50 C +ATOM 16735 O GLY B 526 165.551 216.010 219.584 1.00 22.06 O +ATOM 16736 H GLY B 526 167.997 217.060 222.745 1.00 32.70 H +ATOM 16737 HA2 GLY B 526 165.881 215.685 221.992 1.00 31.38 H +ATOM 16738 HA3 GLY B 526 165.957 217.245 222.147 1.00 31.38 H +ATOM 16739 N ALA B 527 167.292 217.435 219.722 1.00 22.04 N +ATOM 16740 CA ALA B 527 167.297 217.768 218.297 1.00 27.89 C +ATOM 16741 C ALA B 527 167.352 216.536 217.384 1.00 20.72 C +ATOM 16742 O ALA B 527 166.606 216.461 216.415 1.00 24.50 O +ATOM 16743 CB ALA B 527 168.461 218.717 217.980 1.00 27.33 C +ATOM 16744 H ALA B 527 167.925 217.810 220.169 1.00 26.45 H +ATOM 16745 HA ALA B 527 166.475 218.240 218.093 1.00 33.47 H +ATOM 16746 HB1 ALA B 527 168.448 218.926 217.032 1.00 32.80 H +ATOM 16747 HB2 ALA B 527 168.356 219.529 218.500 1.00 32.80 H +ATOM 16748 HB3 ALA B 527 169.296 218.280 218.211 1.00 32.80 H +ATOM 16749 N PRO B 528 168.230 215.565 217.684 1.00 23.33 N +ATOM 16750 CA PRO B 528 168.280 214.368 216.837 1.00 24.68 C +ATOM 16751 C PRO B 528 166.970 213.578 216.802 1.00 24.44 C +ATOM 16752 O PRO B 528 166.558 213.124 215.736 1.00 23.13 O +ATOM 16753 CB PRO B 528 169.393 213.537 217.480 1.00 25.93 C +ATOM 16754 CG PRO B 528 170.234 214.523 218.185 1.00 27.97 C +ATOM 16755 CD PRO B 528 169.288 215.543 218.709 1.00 25.38 C +ATOM 16756 HA PRO B 528 168.537 214.605 215.932 1.00 29.61 H +ATOM 16757 HB2 PRO B 528 169.010 212.902 218.105 1.00 31.12 H +ATOM 16758 HB3 PRO B 528 169.902 213.080 216.792 1.00 31.12 H +ATOM 16759 HG2 PRO B 528 170.707 214.089 218.912 1.00 33.56 H +ATOM 16760 HG3 PRO B 528 170.859 214.924 217.561 1.00 33.56 H +ATOM 16761 HD2 PRO B 528 168.926 215.263 219.564 1.00 30.46 H +ATOM 16762 HD3 PRO B 528 169.721 216.409 218.769 1.00 30.46 H +ATOM 16763 N PHE B 529 166.337 213.405 217.958 1.00 23.94 N +ATOM 16764 CA PHE B 529 165.032 212.762 218.022 1.00 27.37 C +ATOM 16765 C PHE B 529 164.016 213.505 217.156 1.00 23.12 C +ATOM 16766 O PHE B 529 163.275 212.895 216.388 1.00 26.28 O +ATOM 16767 CB PHE B 529 164.528 212.706 219.466 1.00 24.49 C +ATOM 16768 CG PHE B 529 165.243 211.710 220.333 1.00 24.84 C +ATOM 16769 CD1 PHE B 529 165.453 210.413 219.901 1.00 28.83 C +ATOM 16770 CD2 PHE B 529 165.697 212.073 221.590 1.00 27.15 C +ATOM 16771 CE1 PHE B 529 166.103 209.497 220.706 1.00 21.01 C +ATOM 16772 CE2 PHE B 529 166.347 211.160 222.397 1.00 25.17 C +ATOM 16773 CZ PHE B 529 166.550 209.870 221.953 1.00 25.14 C +ATOM 16774 H PHE B 529 166.645 213.652 218.722 1.00 28.73 H +ATOM 16775 HA PHE B 529 165.107 211.854 217.692 1.00 32.84 H +ATOM 16776 HB2 PHE B 529 164.639 213.582 219.868 1.00 29.39 H +ATOM 16777 HB3 PHE B 529 163.587 212.468 219.457 1.00 29.39 H +ATOM 16778 HD1 PHE B 529 165.151 210.154 219.060 1.00 34.60 H +ATOM 16779 HD2 PHE B 529 165.561 212.940 221.895 1.00 32.59 H +ATOM 16780 HE1 PHE B 529 166.240 208.628 220.404 1.00 25.21 H +ATOM 16781 HE2 PHE B 529 166.649 211.416 223.239 1.00 30.20 H +ATOM 16782 HZ PHE B 529 166.990 209.255 222.494 1.00 30.17 H +ATOM 16783 N SER B 530 163.990 214.824 217.293 1.00 25.63 N +ATOM 16784 CA SER B 530 163.041 215.657 216.571 1.00 25.07 C +ATOM 16785 C SER B 530 163.202 215.527 215.064 1.00 24.37 C +ATOM 16786 O SER B 530 162.231 215.298 214.344 1.00 19.06 O +ATOM 16787 CB SER B 530 163.205 217.120 216.981 1.00 24.21 C +ATOM 16788 OG SER B 530 162.310 217.953 216.262 1.00 27.65 O +ATOM 16789 H SER B 530 164.521 215.266 217.806 1.00 30.75 H +ATOM 16790 HA SER B 530 162.140 215.380 216.801 1.00 30.09 H +ATOM 16791 HB2 SER B 530 163.021 217.204 217.929 1.00 29.05 H +ATOM 16792 HB3 SER B 530 164.115 217.400 216.793 1.00 29.05 H +ATOM 16793 HG SER B 530 162.411 218.753 216.497 1.00 33.18 H +ATOM 16794 N LEU B 531 164.431 215.676 214.585 1.00 21.01 N +ATOM 16795 CA LEU B 531 164.684 215.696 213.154 1.00 25.34 C +ATOM 16796 C LEU B 531 164.416 214.344 212.522 1.00 25.65 C +ATOM 16797 O LEU B 531 163.990 214.271 211.366 1.00 30.23 O +ATOM 16798 CB LEU B 531 166.123 216.145 212.873 1.00 26.90 C +ATOM 16799 CG LEU B 531 166.424 217.601 213.251 1.00 22.35 C +ATOM 16800 CD1 LEU B 531 167.891 217.908 213.050 1.00 33.89 C +ATOM 16801 CD2 LEU B 531 165.564 218.569 212.445 1.00 28.45 C +ATOM 16802 H LEU B 531 165.135 215.769 215.069 1.00 25.22 H +ATOM 16803 HA LEU B 531 164.088 216.339 212.741 1.00 30.40 H +ATOM 16804 HB2 LEU B 531 166.728 215.579 213.377 1.00 32.28 H +ATOM 16805 HB3 LEU B 531 166.298 216.045 211.924 1.00 32.28 H +ATOM 16806 HG LEU B 531 166.219 217.730 214.190 1.00 26.82 H +ATOM 16807 HD11 LEU B 531 168.056 218.832 213.295 1.00 40.67 H +ATOM 16808 HD12 LEU B 531 168.417 217.317 213.612 1.00 40.67 H +ATOM 16809 HD13 LEU B 531 168.118 217.767 212.117 1.00 40.67 H +ATOM 16810 HD21 LEU B 531 165.780 219.477 212.709 1.00 34.15 H +ATOM 16811 HD22 LEU B 531 165.749 218.445 211.501 1.00 34.15 H +ATOM 16812 HD23 LEU B 531 164.629 218.385 212.626 1.00 34.15 H +ATOM 16813 N LYS B 532 164.652 213.272 213.267 1.00 22.86 N +ATOM 16814 CA LYS B 532 164.378 211.943 212.737 1.00 24.78 C +ATOM 16815 C LYS B 532 162.870 211.747 212.553 1.00 26.86 C +ATOM 16816 O LYS B 532 162.429 211.129 211.586 1.00 32.65 O +ATOM 16817 CB LYS B 532 164.948 210.855 213.656 1.00 24.29 C +ATOM 16818 CG LYS B 532 165.858 209.808 212.997 1.00 30.23 C +ATOM 16819 CD LYS B 532 165.627 209.673 211.494 1.00 27.68 C +ATOM 16820 CE LYS B 532 166.231 208.418 210.933 1.00 26.12 C +ATOM 16821 NZ LYS B 532 165.423 207.236 211.263 1.00 33.73 N +ATOM 16822 H LYS B 532 164.964 213.285 214.068 1.00 27.43 H +ATOM 16823 HA LYS B 532 164.802 211.855 211.868 1.00 29.73 H +ATOM 16824 HB2 LYS B 532 165.466 211.287 214.353 1.00 29.14 H +ATOM 16825 HB3 LYS B 532 164.205 210.378 214.058 1.00 29.14 H +ATOM 16826 HG2 LYS B 532 166.783 210.064 213.136 1.00 36.27 H +ATOM 16827 HG3 LYS B 532 165.689 208.944 213.404 1.00 36.27 H +ATOM 16828 HD2 LYS B 532 164.673 209.652 211.320 1.00 33.22 H +ATOM 16829 HD3 LYS B 532 166.032 210.430 211.042 1.00 33.22 H +ATOM 16830 HE2 LYS B 532 166.281 208.492 209.967 1.00 31.34 H +ATOM 16831 HE3 LYS B 532 167.117 208.294 211.307 1.00 31.34 H +ATOM 16832 HZ1 LYS B 532 165.799 206.506 210.921 1.00 40.47 H +ATOM 16833 HZ2 LYS B 532 165.365 207.145 212.146 1.00 40.47 H +ATOM 16834 HZ3 LYS B 532 164.604 207.324 210.927 1.00 40.47 H +ATOM 16835 N GLY B 533 162.087 212.266 213.491 1.00 21.25 N +ATOM 16836 CA GLY B 533 160.642 212.154 213.417 1.00 20.38 C +ATOM 16837 C GLY B 533 160.043 213.000 212.309 1.00 27.36 C +ATOM 16838 O GLY B 533 159.007 212.656 211.739 1.00 24.37 O +ATOM 16839 H GLY B 533 162.372 212.689 214.183 1.00 25.51 H +ATOM 16840 HA2 GLY B 533 160.399 211.228 213.260 1.00 24.45 H +ATOM 16841 HA3 GLY B 533 160.254 212.435 214.260 1.00 24.45 H +ATOM 16842 N LEU B 534 160.694 214.113 211.996 1.00 23.55 N +ATOM 16843 CA LEU B 534 160.212 215.006 210.953 1.00 20.26 C +ATOM 16844 C LEU B 534 160.619 214.536 209.556 1.00 25.01 C +ATOM 16845 O LEU B 534 159.764 214.335 208.694 1.00 23.96 O +ATOM 16846 CB LEU B 534 160.724 216.425 211.206 1.00 22.91 C +ATOM 16847 CG LEU B 534 160.197 217.052 212.501 1.00 24.34 C +ATOM 16848 CD1 LEU B 534 160.985 218.298 212.859 1.00 29.07 C +ATOM 16849 CD2 LEU B 534 158.711 217.367 212.382 1.00 23.88 C +ATOM 16850 H LEU B 534 161.420 214.375 212.375 1.00 28.26 H +ATOM 16851 HA LEU B 534 159.243 215.031 210.986 1.00 24.31 H +ATOM 16852 HB2 LEU B 534 161.692 216.403 211.260 1.00 27.49 H +ATOM 16853 HB3 LEU B 534 160.448 216.993 210.469 1.00 27.49 H +ATOM 16854 HG LEU B 534 160.308 216.414 213.223 1.00 29.20 H +ATOM 16855 HD11 LEU B 534 160.630 218.670 213.681 1.00 34.89 H +ATOM 16856 HD12 LEU B 534 161.917 218.057 212.981 1.00 34.89 H +ATOM 16857 HD13 LEU B 534 160.901 218.942 212.139 1.00 34.89 H +ATOM 16858 HD21 LEU B 534 158.405 217.762 213.213 1.00 28.66 H +ATOM 16859 HD22 LEU B 534 158.578 217.990 211.650 1.00 28.66 H +ATOM 16860 HD23 LEU B 534 158.227 216.544 212.207 1.00 28.66 H +ATOM 16861 N MET B 535 161.917 214.351 209.332 1.00 28.67 N +ATOM 16862 CA MET B 535 162.408 213.999 208.004 1.00 29.78 C +ATOM 16863 C MET B 535 162.248 212.506 207.718 1.00 27.42 C +ATOM 16864 O MET B 535 162.241 212.087 206.563 1.00 26.87 O +ATOM 16865 CB MET B 535 163.874 214.411 207.841 1.00 27.44 C +ATOM 16866 CG MET B 535 164.129 215.912 207.958 1.00 27.80 C +ATOM 16867 SD MET B 535 163.039 216.955 206.959 1.00 29.23 S +ATOM 16868 CE MET B 535 163.403 216.375 205.305 1.00 26.84 C +ATOM 16869 H MET B 535 162.532 214.423 209.930 1.00 34.40 H +ATOM 16870 HA MET B 535 161.893 214.493 207.347 1.00 35.73 H +ATOM 16871 HB2 MET B 535 164.398 213.969 208.527 1.00 32.93 H +ATOM 16872 HB3 MET B 535 164.180 214.128 206.965 1.00 32.93 H +ATOM 16873 HG2 MET B 535 164.013 216.173 208.885 1.00 33.36 H +ATOM 16874 HG3 MET B 535 165.041 216.093 207.681 1.00 33.36 H +ATOM 16875 HE1 MET B 535 162.865 216.873 204.670 1.00 32.21 H +ATOM 16876 HE2 MET B 535 164.346 216.515 205.122 1.00 32.21 H +ATOM 16877 HE3 MET B 535 163.192 215.430 205.249 1.00 32.21 H +ATOM 16878 N GLY B 536 162.113 211.708 208.772 1.00 28.96 N +ATOM 16879 CA GLY B 536 161.920 210.276 208.621 1.00 23.70 C +ATOM 16880 C GLY B 536 160.501 209.907 208.228 1.00 23.28 C +ATOM 16881 O GLY B 536 160.173 208.728 208.108 1.00 30.38 O +ATOM 16882 H GLY B 536 162.129 211.975 209.589 1.00 34.75 H +ATOM 16883 HA2 GLY B 536 162.523 209.940 207.939 1.00 28.44 H +ATOM 16884 HA3 GLY B 536 162.130 209.834 209.459 1.00 28.44 H +ATOM 16885 N ASN B 537 159.655 210.912 208.031 1.00 35.64 N +ATOM 16886 CA ASN B 537 158.275 210.682 207.624 1.00 28.83 C +ATOM 16887 C ASN B 537 158.206 210.251 206.163 1.00 33.72 C +ATOM 16888 O ASN B 537 158.958 210.753 205.325 1.00 30.51 O +ATOM 16889 CB ASN B 537 157.442 211.943 207.848 1.00 32.13 C +ATOM 16890 CG ASN B 537 155.955 211.693 207.701 1.00 27.23 C +ATOM 16891 OD1 ASN B 537 155.449 211.518 206.595 1.00 28.98 O +ATOM 16892 ND2 ASN B 537 155.246 211.682 208.822 1.00 24.43 N +ATOM 16893 H ASN B 537 159.858 211.742 208.128 1.00 42.77 H +ATOM 16894 HA ASN B 537 157.898 209.971 208.166 1.00 34.60 H +ATOM 16895 HB2 ASN B 537 157.604 212.274 208.745 1.00 38.55 H +ATOM 16896 HB3 ASN B 537 157.700 212.612 207.195 1.00 38.55 H +ATOM 16897 HD21 ASN B 537 154.397 211.544 208.792 1.00 29.32 H +ATOM 16898 HD22 ASN B 537 155.634 211.812 209.578 1.00 29.32 H +ATOM 16899 N VAL B 538 157.301 209.325 205.864 1.00 27.18 N +ATOM 16900 CA VAL B 538 157.200 208.732 204.531 1.00 25.62 C +ATOM 16901 C VAL B 538 157.003 209.761 203.412 1.00 29.64 C +ATOM 16902 O VAL B 538 157.472 209.548 202.297 1.00 24.48 O +ATOM 16903 CB VAL B 538 156.037 207.694 204.469 1.00 30.14 C +ATOM 16904 CG1 VAL B 538 154.726 208.314 204.907 1.00 25.01 C +ATOM 16905 CG2 VAL B 538 155.905 207.094 203.071 1.00 27.96 C +ATOM 16906 H VAL B 538 156.726 209.017 206.424 1.00 32.62 H +ATOM 16907 HA VAL B 538 158.024 208.256 204.345 1.00 30.74 H +ATOM 16908 HB VAL B 538 156.237 206.969 205.081 1.00 36.17 H +ATOM 16909 HG11 VAL B 538 154.027 207.643 204.856 1.00 30.01 H +ATOM 16910 HG12 VAL B 538 154.816 208.630 205.820 1.00 30.01 H +ATOM 16911 HG13 VAL B 538 154.516 209.057 204.319 1.00 30.01 H +ATOM 16912 HG21 VAL B 538 155.175 206.455 203.070 1.00 33.56 H +ATOM 16913 HG22 VAL B 538 155.724 207.806 202.438 1.00 33.56 H +ATOM 16914 HG23 VAL B 538 156.735 206.648 202.840 1.00 33.56 H +ATOM 16915 N ILE B 539 156.320 210.869 203.693 1.00 22.65 N +ATOM 16916 CA ILE B 539 156.054 211.845 202.642 1.00 26.79 C +ATOM 16917 C ILE B 539 157.342 212.546 202.210 1.00 28.75 C +ATOM 16918 O ILE B 539 157.391 213.165 201.146 1.00 31.37 O +ATOM 16919 CB ILE B 539 155.004 212.909 203.061 1.00 25.04 C +ATOM 16920 CG1 ILE B 539 155.536 213.845 204.156 1.00 32.35 C +ATOM 16921 CG2 ILE B 539 153.710 212.237 203.518 1.00 31.06 C +ATOM 16922 CD1 ILE B 539 154.802 215.163 204.214 1.00 32.52 C +ATOM 16923 H ILE B 539 156.007 211.075 204.467 1.00 27.17 H +ATOM 16924 HA ILE B 539 155.702 211.376 201.869 1.00 32.14 H +ATOM 16925 HB ILE B 539 154.800 213.449 202.281 1.00 30.05 H +ATOM 16926 HG12 ILE B 539 155.438 213.409 205.018 1.00 38.82 H +ATOM 16927 HG13 ILE B 539 156.472 214.031 203.984 1.00 38.82 H +ATOM 16928 HG21 ILE B 539 153.073 212.922 203.774 1.00 37.28 H +ATOM 16929 HG22 ILE B 539 153.354 211.710 202.787 1.00 37.28 H +ATOM 16930 HG23 ILE B 539 153.903 211.665 204.277 1.00 37.28 H +ATOM 16931 HD11 ILE B 539 155.184 215.705 204.923 1.00 39.02 H +ATOM 16932 HD12 ILE B 539 154.899 215.616 203.362 1.00 39.02 H +ATOM 16933 HD13 ILE B 539 153.864 214.994 204.395 1.00 39.02 H +ATOM 16934 N CYS B 540 158.382 212.443 203.033 1.00 28.05 N +ATOM 16935 CA CYS B 540 159.680 213.027 202.710 1.00 25.76 C +ATOM 16936 C CYS B 540 160.515 212.094 201.844 1.00 27.40 C +ATOM 16937 O CYS B 540 161.581 212.484 201.367 1.00 30.07 O +ATOM 16938 CB CYS B 540 160.457 213.365 203.983 1.00 30.29 C +ATOM 16939 SG CYS B 540 159.650 214.557 205.050 1.00 29.66 S +ATOM 16940 H CYS B 540 158.361 212.036 203.790 1.00 33.65 H +ATOM 16941 HA CYS B 540 159.541 213.850 202.216 1.00 30.92 H +ATOM 16942 HB2 CYS B 540 160.585 212.551 204.495 1.00 36.35 H +ATOM 16943 HB3 CYS B 540 161.319 213.732 203.732 1.00 36.35 H +ATOM 16944 HG CYS B 540 160.339 214.750 206.012 1.00 35.59 H +ATOM 16945 N SER B 541 160.043 210.865 201.649 1.00 32.45 N +ATOM 16946 CA SER B 541 160.765 209.910 200.816 1.00 33.89 C +ATOM 16947 C SER B 541 160.548 210.261 199.340 1.00 33.35 C +ATOM 16948 O SER B 541 159.501 210.796 198.980 1.00 28.87 O +ATOM 16949 CB SER B 541 160.313 208.475 201.106 1.00 25.62 C +ATOM 16950 OG SER B 541 159.031 208.207 200.566 1.00 28.26 O +ATOM 16951 H SER B 541 159.312 210.562 201.986 1.00 38.94 H +ATOM 16952 HA SER B 541 161.714 209.973 201.006 1.00 40.67 H +ATOM 16953 HB2 SER B 541 160.953 207.861 200.713 1.00 30.74 H +ATOM 16954 HB3 SER B 541 160.281 208.346 202.067 1.00 30.74 H +ATOM 16955 HG SER B 541 158.464 208.730 200.899 1.00 33.92 H +ATOM 16956 N PRO B 542 161.544 209.972 198.484 1.00 32.52 N +ATOM 16957 CA PRO B 542 161.483 210.359 197.067 1.00 31.65 C +ATOM 16958 C PRO B 542 160.254 209.852 196.313 1.00 32.47 C +ATOM 16959 O PRO B 542 159.765 210.557 195.431 1.00 30.27 O +ATOM 16960 CB PRO B 542 162.767 209.750 196.476 1.00 30.99 C +ATOM 16961 CG PRO B 542 163.366 208.896 197.548 1.00 30.73 C +ATOM 16962 CD PRO B 542 162.860 209.419 198.840 1.00 36.23 C +ATOM 16963 HA PRO B 542 161.527 211.324 196.986 1.00 37.98 H +ATOM 16964 HB2 PRO B 542 162.541 209.212 195.701 1.00 37.19 H +ATOM 16965 HB3 PRO B 542 163.378 210.461 196.229 1.00 37.19 H +ATOM 16966 HG2 PRO B 542 163.085 207.976 197.421 1.00 36.88 H +ATOM 16967 HG3 PRO B 542 164.333 208.963 197.510 1.00 36.88 H +ATOM 16968 HD2 PRO B 542 162.762 208.698 199.482 1.00 43.48 H +ATOM 16969 HD3 PRO B 542 163.443 210.118 199.175 1.00 43.48 H +ATOM 16970 N ALA B 543 159.754 208.666 196.642 1.00 29.82 N +ATOM 16971 CA ALA B 543 158.591 208.130 195.939 1.00 26.04 C +ATOM 16972 C ALA B 543 157.326 208.924 196.262 1.00 30.02 C +ATOM 16973 O ALA B 543 156.384 208.941 195.471 1.00 32.12 O +ATOM 16974 CB ALA B 543 158.392 206.668 196.276 1.00 32.10 C +ATOM 16975 H ALA B 543 160.064 208.156 197.261 1.00 35.78 H +ATOM 16976 HA ALA B 543 158.746 208.196 194.984 1.00 31.25 H +ATOM 16977 HB1 ALA B 543 157.616 206.337 195.798 1.00 38.52 H +ATOM 16978 HB2 ALA B 543 159.182 206.173 196.009 1.00 38.52 H +ATOM 16979 HB3 ALA B 543 158.254 206.581 197.232 1.00 38.52 H +ATOM 16980 N TYR B 544 157.314 209.587 197.417 1.00 27.48 N +ATOM 16981 CA TYR B 544 156.150 210.352 197.864 1.00 26.82 C +ATOM 16982 C TYR B 544 156.244 211.853 197.575 1.00 33.57 C +ATOM 16983 O TYR B 544 155.234 212.498 197.292 1.00 28.90 O +ATOM 16984 CB TYR B 544 155.941 210.152 199.364 1.00 27.18 C +ATOM 16985 CG TYR B 544 155.159 208.911 199.732 1.00 28.68 C +ATOM 16986 CD1 TYR B 544 155.718 207.648 199.607 1.00 24.73 C +ATOM 16987 CD2 TYR B 544 153.862 209.007 200.223 1.00 27.66 C +ATOM 16988 CE1 TYR B 544 155.009 206.518 199.950 1.00 25.16 C +ATOM 16989 CE2 TYR B 544 153.147 207.883 200.567 1.00 24.04 C +ATOM 16990 CZ TYR B 544 153.723 206.641 200.431 1.00 26.38 C +ATOM 16991 OH TYR B 544 153.013 205.515 200.775 1.00 29.81 O +ATOM 16992 H TYR B 544 157.976 209.609 197.966 1.00 32.97 H +ATOM 16993 HA TYR B 544 155.363 210.014 197.409 1.00 32.19 H +ATOM 16994 HB2 TYR B 544 156.809 210.090 199.792 1.00 32.61 H +ATOM 16995 HB3 TYR B 544 155.458 210.917 199.714 1.00 32.61 H +ATOM 16996 HD1 TYR B 544 156.585 207.562 199.283 1.00 29.67 H +ATOM 16997 HD2 TYR B 544 153.470 209.846 200.317 1.00 33.19 H +ATOM 16998 HE1 TYR B 544 155.396 205.677 199.859 1.00 30.20 H +ATOM 16999 HE2 TYR B 544 152.280 207.963 200.892 1.00 28.85 H +ATOM 17000 HH TYR B 544 153.479 204.829 200.642 1.00 35.77 H +ATOM 17001 N TRP B 545 157.447 212.412 197.655 1.00 32.45 N +ATOM 17002 CA TRP B 545 157.611 213.863 197.587 1.00 38.60 C +ATOM 17003 C TRP B 545 157.520 214.381 196.157 1.00 35.79 C +ATOM 17004 O TRP B 545 158.531 214.623 195.498 1.00 34.26 O +ATOM 17005 CB TRP B 545 158.944 214.278 198.211 1.00 33.57 C +ATOM 17006 CG TRP B 545 159.085 215.760 198.389 1.00 30.18 C +ATOM 17007 CD1 TRP B 545 159.956 216.584 197.740 1.00 32.76 C +ATOM 17008 CD2 TRP B 545 158.328 216.594 199.273 1.00 30.68 C +ATOM 17009 NE1 TRP B 545 159.792 217.877 198.168 1.00 32.44 N +ATOM 17010 CE2 TRP B 545 158.798 217.911 199.110 1.00 31.30 C +ATOM 17011 CE3 TRP B 545 157.299 216.355 200.190 1.00 29.95 C +ATOM 17012 CZ2 TRP B 545 158.276 218.985 199.827 1.00 36.26 C +ATOM 17013 CZ3 TRP B 545 156.783 217.420 200.902 1.00 29.16 C +ATOM 17014 CH2 TRP B 545 157.272 218.719 200.717 1.00 35.26 C +ATOM 17015 H TRP B 545 158.183 211.976 197.749 1.00 38.94 H +ATOM 17016 HA TRP B 545 156.902 214.281 198.099 1.00 46.32 H +ATOM 17017 HB2 TRP B 545 159.024 213.864 199.084 1.00 40.28 H +ATOM 17018 HB3 TRP B 545 159.666 213.977 197.637 1.00 40.28 H +ATOM 17019 HD1 TRP B 545 160.574 216.309 197.102 1.00 39.31 H +ATOM 17020 HE1 TRP B 545 160.240 218.556 197.889 1.00 38.93 H +ATOM 17021 HE3 TRP B 545 156.971 215.494 200.320 1.00 35.94 H +ATOM 17022 HZ2 TRP B 545 158.598 219.849 199.706 1.00 43.51 H +ATOM 17023 HZ3 TRP B 545 156.099 217.272 201.514 1.00 34.99 H +ATOM 17024 HH2 TRP B 545 156.904 219.418 201.209 1.00 42.31 H +ATOM 17025 N LYS B 546 156.291 214.565 195.693 1.00 44.40 N +ATOM 17026 CA LYS B 546 156.040 215.051 194.346 1.00 38.29 C +ATOM 17027 C LYS B 546 154.592 215.524 194.249 1.00 42.77 C +ATOM 17028 O LYS B 546 153.741 215.051 195.000 1.00 43.75 O +ATOM 17029 CB LYS B 546 156.331 213.958 193.318 1.00 32.52 C +ATOM 17030 CG LYS B 546 155.557 212.674 193.550 1.00 33.89 C +ATOM 17031 CD LYS B 546 155.932 211.583 192.554 1.00 37.31 C +ATOM 17032 CE LYS B 546 157.367 211.123 192.727 1.00 26.43 C +ATOM 17033 NZ LYS B 546 157.654 209.911 191.914 1.00 39.09 N +ATOM 17034 H LYS B 546 155.576 214.413 196.146 1.00 53.28 H +ATOM 17035 HA LYS B 546 156.622 215.806 194.163 1.00 45.95 H +ATOM 17036 HB2 LYS B 546 156.099 214.289 192.436 1.00 39.02 H +ATOM 17037 HB3 LYS B 546 157.277 213.743 193.349 1.00 39.02 H +ATOM 17038 HG2 LYS B 546 155.747 212.346 194.443 1.00 40.67 H +ATOM 17039 HG3 LYS B 546 154.608 212.855 193.456 1.00 40.67 H +ATOM 17040 HD2 LYS B 546 155.352 210.818 192.687 1.00 44.78 H +ATOM 17041 HD3 LYS B 546 155.832 211.927 191.653 1.00 44.78 H +ATOM 17042 HE2 LYS B 546 157.967 211.830 192.440 1.00 31.72 H +ATOM 17043 HE3 LYS B 546 157.524 210.908 193.660 1.00 31.72 H +ATOM 17044 HZ1 LYS B 546 158.499 209.659 192.031 1.00 46.90 H +ATOM 17045 HZ2 LYS B 546 157.117 209.245 192.162 1.00 46.90 H +ATOM 17046 HZ3 LYS B 546 157.520 210.084 191.052 1.00 46.90 H +ATOM 17047 N PRO B 547 154.309 216.470 193.336 1.00 41.64 N +ATOM 17048 CA PRO B 547 152.980 217.085 193.218 1.00 40.06 C +ATOM 17049 C PRO B 547 151.811 216.102 193.191 1.00 33.40 C +ATOM 17050 O PRO B 547 150.806 216.358 193.850 1.00 35.59 O +ATOM 17051 CB PRO B 547 153.058 217.848 191.883 1.00 44.58 C +ATOM 17052 CG PRO B 547 154.455 217.658 191.360 1.00 46.82 C +ATOM 17053 CD PRO B 547 155.290 217.142 192.471 1.00 39.57 C +ATOM 17054 HA PRO B 547 152.843 217.720 193.938 1.00 48.08 H +ATOM 17055 HB2 PRO B 547 152.411 217.478 191.263 1.00 53.49 H +ATOM 17056 HB3 PRO B 547 152.880 218.789 192.039 1.00 53.49 H +ATOM 17057 HG2 PRO B 547 154.438 217.019 190.629 1.00 56.18 H +ATOM 17058 HG3 PRO B 547 154.799 218.511 191.051 1.00 56.18 H +ATOM 17059 HD2 PRO B 547 155.941 216.505 192.138 1.00 47.48 H +ATOM 17060 HD3 PRO B 547 155.715 217.874 192.944 1.00 47.48 H +ATOM 17061 N SER B 548 151.939 215.005 192.449 1.00 38.11 N +ATOM 17062 CA SER B 548 150.826 214.076 192.257 1.00 34.27 C +ATOM 17063 C SER B 548 150.349 213.467 193.568 1.00 38.47 C +ATOM 17064 O SER B 548 149.186 213.091 193.698 1.00 34.98 O +ATOM 17065 CB SER B 548 151.221 212.960 191.287 1.00 33.14 C +ATOM 17066 OG SER B 548 152.411 212.315 191.699 1.00 39.16 O +ATOM 17067 H SER B 548 152.662 214.774 192.045 1.00 45.73 H +ATOM 17068 HA SER B 548 150.081 214.559 191.866 1.00 41.13 H +ATOM 17069 HB2 SER B 548 150.505 212.307 191.253 1.00 39.77 H +ATOM 17070 HB3 SER B 548 151.360 213.344 190.407 1.00 39.77 H +ATOM 17071 HG SER B 548 153.041 212.869 191.732 1.00 47.00 H +ATOM 17072 N THR B 549 151.254 213.371 194.535 1.00 38.28 N +ATOM 17073 CA THR B 549 150.927 212.822 195.845 1.00 38.46 C +ATOM 17074 C THR B 549 149.890 213.684 196.559 1.00 35.60 C +ATOM 17075 O THR B 549 149.067 213.176 197.321 1.00 26.28 O +ATOM 17076 CB THR B 549 152.193 212.701 196.724 1.00 35.07 C +ATOM 17077 OG1 THR B 549 153.090 211.754 196.136 1.00 31.99 O +ATOM 17078 CG2 THR B 549 151.853 212.250 198.139 1.00 33.04 C +ATOM 17079 H THR B 549 152.073 213.621 194.456 1.00 45.93 H +ATOM 17080 HA THR B 549 150.554 211.934 195.732 1.00 46.16 H +ATOM 17081 HB THR B 549 152.630 213.566 196.777 1.00 42.09 H +ATOM 17082 HG1 THR B 549 153.781 211.682 196.608 1.00 38.39 H +ATOM 17083 HG21 THR B 549 152.663 212.183 198.669 1.00 39.65 H +ATOM 17084 HG22 THR B 549 151.256 212.890 198.557 1.00 39.65 H +ATOM 17085 HG23 THR B 549 151.420 211.383 198.115 1.00 39.65 H +ATOM 17086 N PHE B 550 149.928 214.986 196.294 1.00 33.75 N +ATOM 17087 CA PHE B 550 149.105 215.948 197.018 1.00 32.71 C +ATOM 17088 C PHE B 550 148.040 216.587 196.133 1.00 30.99 C +ATOM 17089 O PHE B 550 147.544 217.669 196.436 1.00 39.09 O +ATOM 17090 CB PHE B 550 149.995 217.027 197.628 1.00 39.88 C +ATOM 17091 CG PHE B 550 151.160 216.478 198.397 1.00 44.39 C +ATOM 17092 CD1 PHE B 550 150.998 216.017 199.692 1.00 38.65 C +ATOM 17093 CD2 PHE B 550 152.418 216.415 197.821 1.00 42.02 C +ATOM 17094 CE1 PHE B 550 152.069 215.508 200.398 1.00 38.64 C +ATOM 17095 CE2 PHE B 550 153.490 215.909 198.524 1.00 41.65 C +ATOM 17096 CZ PHE B 550 153.315 215.455 199.812 1.00 43.82 C +ATOM 17097 H PHE B 550 150.429 215.341 195.692 1.00 40.50 H +ATOM 17098 HA PHE B 550 148.653 215.490 197.743 1.00 39.25 H +ATOM 17099 HB2 PHE B 550 150.344 217.585 196.916 1.00 47.86 H +ATOM 17100 HB3 PHE B 550 149.463 217.564 198.237 1.00 47.86 H +ATOM 17101 HD1 PHE B 550 150.158 216.051 200.090 1.00 46.38 H +ATOM 17102 HD2 PHE B 550 152.541 216.721 196.952 1.00 50.43 H +ATOM 17103 HE1 PHE B 550 151.949 215.202 201.268 1.00 46.37 H +ATOM 17104 HE2 PHE B 550 154.330 215.873 198.127 1.00 49.98 H +ATOM 17105 HZ PHE B 550 154.038 215.112 200.287 1.00 52.59 H +ATOM 17106 N GLY B 551 147.690 215.916 195.042 1.00 37.03 N +ATOM 17107 CA GLY B 551 146.601 216.360 194.192 1.00 37.98 C +ATOM 17108 C GLY B 551 147.001 217.414 193.178 1.00 39.60 C +ATOM 17109 O GLY B 551 146.141 218.078 192.604 1.00 47.31 O +ATOM 17110 H GLY B 551 148.073 215.194 194.773 1.00 44.43 H +ATOM 17111 HA2 GLY B 551 146.243 215.598 193.710 1.00 45.57 H +ATOM 17112 HA3 GLY B 551 145.895 216.727 194.746 1.00 45.57 H +ATOM 17113 N GLY B 552 148.304 217.564 192.957 1.00 34.85 N +ATOM 17114 CA GLY B 552 148.817 218.510 191.980 1.00 31.67 C +ATOM 17115 C GLY B 552 149.620 219.631 192.609 1.00 34.80 C +ATOM 17116 O GLY B 552 149.916 219.608 193.801 1.00 37.13 O +ATOM 17117 H GLY B 552 148.916 217.123 193.368 1.00 41.81 H +ATOM 17118 HA2 GLY B 552 149.386 218.043 191.350 1.00 38.00 H +ATOM 17119 HA3 GLY B 552 148.076 218.901 191.492 1.00 38.00 H +ATOM 17120 N GLU B 553 149.968 220.621 191.796 1.00 41.02 N +ATOM 17121 CA GLU B 553 150.822 221.718 192.235 1.00 40.36 C +ATOM 17122 C GLU B 553 150.157 222.600 193.284 1.00 36.40 C +ATOM 17123 O GLU B 553 150.831 223.132 194.165 1.00 42.39 O +ATOM 17124 CB GLU B 553 151.236 222.577 191.037 1.00 39.71 C +ATOM 17125 CG GLU B 553 152.205 221.898 190.085 1.00 43.98 C +ATOM 17126 CD GLU B 553 153.541 221.573 190.729 1.00 76.94 C +ATOM 17127 OE1 GLU B 553 153.812 222.067 191.846 1.00 54.28 O +ATOM 17128 OE2 GLU B 553 154.323 220.822 190.111 1.00 73.96 O +ATOM 17129 H GLU B 553 149.719 220.681 190.975 1.00 49.22 H +ATOM 17130 HA GLU B 553 151.628 221.347 192.627 1.00 48.43 H +ATOM 17131 HB2 GLU B 553 150.441 222.810 190.532 1.00 47.66 H +ATOM 17132 HB3 GLU B 553 151.662 223.384 191.366 1.00 47.66 H +ATOM 17133 HG2 GLU B 553 151.812 221.066 189.776 1.00 52.78 H +ATOM 17134 HG3 GLU B 553 152.370 222.486 189.332 1.00 52.78 H +ATOM 17135 N VAL B 554 148.843 222.766 193.181 1.00 34.05 N +ATOM 17136 CA VAL B 554 148.103 223.587 194.129 1.00 44.28 C +ATOM 17137 C VAL B 554 148.220 223.015 195.539 1.00 39.64 C +ATOM 17138 O VAL B 554 148.481 223.748 196.491 1.00 40.36 O +ATOM 17139 CB VAL B 554 146.617 223.702 193.733 1.00 44.10 C +ATOM 17140 CG1 VAL B 554 145.815 224.441 194.805 1.00 40.92 C +ATOM 17141 CG2 VAL B 554 146.491 224.415 192.399 1.00 46.76 C +ATOM 17142 H VAL B 554 148.355 222.411 192.568 1.00 40.86 H +ATOM 17143 HA VAL B 554 148.482 224.480 194.136 1.00 53.14 H +ATOM 17144 HB VAL B 554 146.243 222.812 193.636 1.00 52.93 H +ATOM 17145 HG11 VAL B 554 144.888 224.495 194.524 1.00 49.10 H +ATOM 17146 HG12 VAL B 554 145.880 223.952 195.640 1.00 49.10 H +ATOM 17147 HG13 VAL B 554 146.181 225.333 194.913 1.00 49.10 H +ATOM 17148 HG21 VAL B 554 145.553 224.480 192.164 1.00 56.11 H +ATOM 17149 HG22 VAL B 554 146.875 225.302 192.479 1.00 56.11 H +ATOM 17150 HG23 VAL B 554 146.968 223.907 191.724 1.00 56.11 H +ATOM 17151 N GLY B 555 148.025 221.707 195.666 1.00 42.08 N +ATOM 17152 CA GLY B 555 148.127 221.045 196.953 1.00 35.17 C +ATOM 17153 C GLY B 555 149.556 221.020 197.453 1.00 36.65 C +ATOM 17154 O GLY B 555 149.817 221.239 198.635 1.00 32.03 O +ATOM 17155 H GLY B 555 147.831 221.180 195.015 1.00 50.49 H +ATOM 17156 HA2 GLY B 555 147.578 221.510 197.604 1.00 42.21 H +ATOM 17157 HA3 GLY B 555 147.809 220.132 196.876 1.00 42.21 H +ATOM 17158 N PHE B 556 150.485 220.751 196.542 1.00 30.48 N +ATOM 17159 CA PHE B 556 151.902 220.698 196.876 1.00 38.78 C +ATOM 17160 C PHE B 556 152.376 222.042 197.417 1.00 36.77 C +ATOM 17161 O PHE B 556 153.286 222.106 198.243 1.00 38.44 O +ATOM 17162 CB PHE B 556 152.717 220.303 195.639 1.00 42.71 C +ATOM 17163 CG PHE B 556 154.099 219.776 195.939 1.00 44.00 C +ATOM 17164 CD1 PHE B 556 154.367 219.075 197.104 1.00 53.71 C +ATOM 17165 CD2 PHE B 556 155.131 219.976 195.037 1.00 56.46 C +ATOM 17166 CE1 PHE B 556 155.639 218.589 197.364 1.00 47.40 C +ATOM 17167 CE2 PHE B 556 156.404 219.495 195.291 1.00 48.20 C +ATOM 17168 CZ PHE B 556 156.657 218.799 196.455 1.00 45.97 C +ATOM 17169 H PHE B 556 150.317 220.595 195.713 1.00 36.58 H +ATOM 17170 HA PHE B 556 152.044 220.026 197.562 1.00 46.54 H +ATOM 17171 HB2 PHE B 556 152.237 219.611 195.159 1.00 51.25 H +ATOM 17172 HB3 PHE B 556 152.817 221.084 195.072 1.00 51.25 H +ATOM 17173 HD1 PHE B 556 153.686 218.929 197.719 1.00 64.45 H +ATOM 17174 HD2 PHE B 556 154.967 220.443 194.249 1.00 67.75 H +ATOM 17175 HE1 PHE B 556 155.807 218.122 198.150 1.00 56.88 H +ATOM 17176 HE2 PHE B 556 157.087 219.639 194.677 1.00 57.84 H +ATOM 17177 HZ PHE B 556 157.512 218.476 196.629 1.00 55.17 H +ATOM 17178 N GLN B 557 151.748 223.113 196.945 1.00 42.53 N +ATOM 17179 CA GLN B 557 152.136 224.466 197.320 1.00 47.63 C +ATOM 17180 C GLN B 557 151.600 224.842 198.698 1.00 39.25 C +ATOM 17181 O GLN B 557 152.213 225.638 199.407 1.00 37.80 O +ATOM 17182 CB GLN B 557 151.650 225.463 196.263 1.00 51.12 C +ATOM 17183 CG GLN B 557 151.831 226.930 196.637 1.00 62.05 C +ATOM 17184 CD GLN B 557 152.489 227.735 195.539 1.00100.83 C +ATOM 17185 OE1 GLN B 557 151.817 228.370 194.724 1.00115.69 O +ATOM 17186 NE2 GLN B 557 153.818 227.718 195.515 1.00 81.62 N +ATOM 17187 H GLN B 557 151.085 223.081 196.399 1.00 51.04 H +ATOM 17188 HA GLN B 557 153.104 224.516 197.354 1.00 57.16 H +ATOM 17189 HB2 GLN B 557 152.143 225.307 195.442 1.00 61.34 H +ATOM 17190 HB3 GLN B 557 150.704 225.314 196.109 1.00 61.34 H +ATOM 17191 HG2 GLN B 557 150.960 227.321 196.814 1.00 74.47 H +ATOM 17192 HG3 GLN B 557 152.389 226.989 197.428 1.00 74.47 H +ATOM 17193 HE21 GLN B 557 154.253 227.266 196.103 1.00 97.95 H +ATOM 17194 HE22 GLN B 557 154.242 228.159 194.911 1.00 97.95 H +ATOM 17195 N ILE B 558 150.466 224.267 199.083 1.00 39.47 N +ATOM 17196 CA ILE B 558 149.923 224.501 200.416 1.00 39.78 C +ATOM 17197 C ILE B 558 150.938 224.065 201.472 1.00 43.90 C +ATOM 17198 O ILE B 558 151.076 224.711 202.511 1.00 38.51 O +ATOM 17199 CB ILE B 558 148.585 223.759 200.630 1.00 40.91 C +ATOM 17200 CG1 ILE B 558 147.499 224.379 199.740 1.00 40.80 C +ATOM 17201 CG2 ILE B 558 148.164 223.814 202.103 1.00 32.38 C +ATOM 17202 CD1 ILE B 558 146.123 223.743 199.867 1.00 29.13 C +ATOM 17203 H ILE B 558 149.994 223.739 198.594 1.00 47.36 H +ATOM 17204 HA ILE B 558 149.761 225.451 200.528 1.00 47.74 H +ATOM 17205 HB ILE B 558 148.701 222.831 200.375 1.00 49.09 H +ATOM 17206 HG12 ILE B 558 147.409 225.317 199.971 1.00 48.96 H +ATOM 17207 HG13 ILE B 558 147.775 224.297 198.814 1.00 48.96 H +ATOM 17208 HG21 ILE B 558 147.323 223.342 202.209 1.00 38.85 H +ATOM 17209 HG22 ILE B 558 148.851 223.392 202.643 1.00 38.85 H +ATOM 17210 HG23 ILE B 558 148.059 224.741 202.367 1.00 38.85 H +ATOM 17211 HD11 ILE B 558 145.509 224.199 199.271 1.00 34.95 H +ATOM 17212 HD12 ILE B 558 146.186 222.806 199.625 1.00 34.95 H +ATOM 17213 HD13 ILE B 558 145.820 223.829 200.784 1.00 34.95 H +ATOM 17214 N ILE B 559 151.649 222.975 201.199 1.00 40.77 N +ATOM 17215 CA ILE B 559 152.685 222.494 202.106 1.00 42.46 C +ATOM 17216 C ILE B 559 153.860 223.460 202.134 1.00 34.43 C +ATOM 17217 O ILE B 559 154.302 223.891 203.196 1.00 31.96 O +ATOM 17218 CB ILE B 559 153.204 221.093 201.695 1.00 36.46 C +ATOM 17219 CG1 ILE B 559 152.124 220.033 201.911 1.00 32.51 C +ATOM 17220 CG2 ILE B 559 154.466 220.722 202.489 1.00 34.84 C +ATOM 17221 CD1 ILE B 559 152.463 218.685 201.312 1.00 39.09 C +ATOM 17222 H ILE B 559 151.550 222.495 200.493 1.00 48.93 H +ATOM 17223 HA ILE B 559 152.321 222.431 203.002 1.00 50.95 H +ATOM 17224 HB ILE B 559 153.430 221.114 200.752 1.00 43.75 H +ATOM 17225 HG12 ILE B 559 151.993 219.910 202.865 1.00 39.01 H +ATOM 17226 HG13 ILE B 559 151.299 220.340 201.504 1.00 39.01 H +ATOM 17227 HG21 ILE B 559 154.766 219.842 202.210 1.00 41.81 H +ATOM 17228 HG22 ILE B 559 155.156 221.379 202.310 1.00 41.81 H +ATOM 17229 HG23 ILE B 559 154.252 220.715 203.435 1.00 41.81 H +ATOM 17230 HD11 ILE B 559 151.734 218.069 201.490 1.00 46.91 H +ATOM 17231 HD12 ILE B 559 152.585 218.787 200.356 1.00 46.91 H +ATOM 17232 HD13 ILE B 559 153.280 218.356 201.718 1.00 46.91 H +ATOM 17233 N ASN B 560 154.359 223.793 200.954 1.00 34.52 N +ATOM 17234 CA ASN B 560 155.627 224.495 200.831 1.00 36.82 C +ATOM 17235 C ASN B 560 155.543 225.991 201.118 1.00 36.63 C +ATOM 17236 O ASN B 560 156.566 226.665 201.175 1.00 41.52 O +ATOM 17237 CB ASN B 560 156.196 224.262 199.433 1.00 29.53 C +ATOM 17238 CG ASN B 560 156.708 222.845 199.249 1.00 39.40 C +ATOM 17239 OD1 ASN B 560 157.414 222.314 200.107 1.00 38.87 O +ATOM 17240 ND2 ASN B 560 156.342 222.218 198.135 1.00 40.89 N +ATOM 17241 H ASN B 560 153.980 223.621 200.201 1.00 41.43 H +ATOM 17242 HA ASN B 560 156.251 224.113 201.467 1.00 44.18 H +ATOM 17243 HB2 ASN B 560 155.500 224.419 198.776 1.00 35.44 H +ATOM 17244 HB3 ASN B 560 156.937 224.872 199.286 1.00 35.44 H +ATOM 17245 HD21 ASN B 560 156.607 221.414 197.987 1.00 49.07 H +ATOM 17246 HD22 ASN B 560 155.840 222.618 197.562 1.00 49.07 H +ATOM 17247 N THR B 561 154.330 226.503 201.306 1.00 39.02 N +ATOM 17248 CA THR B 561 154.133 227.908 201.655 1.00 44.13 C +ATOM 17249 C THR B 561 153.458 228.041 203.016 1.00 35.74 C +ATOM 17250 O THR B 561 152.989 229.119 203.382 1.00 36.07 O +ATOM 17251 CB THR B 561 153.283 228.645 200.600 1.00 43.95 C +ATOM 17252 OG1 THR B 561 151.947 228.122 200.602 1.00 44.44 O +ATOM 17253 CG2 THR B 561 153.894 228.485 199.217 1.00 45.27 C +ATOM 17254 H THR B 561 153.599 226.055 201.237 1.00 46.82 H +ATOM 17255 HA THR B 561 154.997 228.346 201.704 1.00 52.96 H +ATOM 17256 HB THR B 561 153.257 229.591 200.814 1.00 52.74 H +ATOM 17257 HG1 THR B 561 151.959 227.302 200.421 1.00 53.33 H +ATOM 17258 HG21 THR B 561 153.353 228.951 198.560 1.00 54.32 H +ATOM 17259 HG22 THR B 561 154.791 228.854 199.206 1.00 54.32 H +ATOM 17260 HG23 THR B 561 153.937 227.545 198.980 1.00 54.32 H +ATOM 17261 N ALA B 562 153.417 226.945 203.766 1.00 30.80 N +ATOM 17262 CA ALA B 562 152.758 226.934 205.064 1.00 33.58 C +ATOM 17263 C ALA B 562 153.619 227.592 206.134 1.00 32.66 C +ATOM 17264 O ALA B 562 154.840 227.453 206.145 1.00 31.05 O +ATOM 17265 CB ALA B 562 152.418 225.510 205.473 1.00 33.79 C +ATOM 17266 H ALA B 562 153.766 226.192 203.543 1.00 36.96 H +ATOM 17267 HA ALA B 562 151.928 227.432 205.000 1.00 40.30 H +ATOM 17268 HB1 ALA B 562 151.981 225.526 206.339 1.00 40.54 H +ATOM 17269 HB2 ALA B 562 151.825 225.125 204.809 1.00 40.54 H +ATOM 17270 HB3 ALA B 562 153.237 224.993 205.525 1.00 40.54 H +ATOM 17271 N SER B 563 152.960 228.317 207.028 1.00 30.24 N +ATOM 17272 CA SER B 563 153.604 228.889 208.201 1.00 28.41 C +ATOM 17273 C SER B 563 152.576 228.931 209.318 1.00 32.53 C +ATOM 17274 O SER B 563 151.387 228.735 209.071 1.00 28.40 O +ATOM 17275 CB SER B 563 154.153 230.286 207.909 1.00 36.40 C +ATOM 17276 OG SER B 563 153.108 231.197 207.614 1.00 37.44 O +ATOM 17277 H SER B 563 152.120 228.496 206.975 1.00 36.29 H +ATOM 17278 HA SER B 563 154.339 228.320 208.478 1.00 34.09 H +ATOM 17279 HB2 SER B 563 154.636 230.603 208.688 1.00 43.68 H +ATOM 17280 HB3 SER B 563 154.751 230.235 207.147 1.00 43.68 H +ATOM 17281 HG SER B 563 153.427 231.958 207.457 1.00 44.93 H +ATOM 17282 N ILE B 564 153.021 229.175 210.544 1.00 27.09 N +ATOM 17283 CA ILE B 564 152.091 229.265 211.658 1.00 27.66 C +ATOM 17284 C ILE B 564 151.167 230.468 211.462 1.00 40.09 C +ATOM 17285 O ILE B 564 150.013 230.443 211.883 1.00 43.38 O +ATOM 17286 CB ILE B 564 152.825 229.373 213.016 1.00 31.48 C +ATOM 17287 CG1 ILE B 564 151.831 229.317 214.180 1.00 26.91 C +ATOM 17288 CG2 ILE B 564 153.668 230.644 213.087 1.00 36.08 C +ATOM 17289 CD1 ILE B 564 151.115 227.991 214.318 1.00 34.41 C +ATOM 17290 H ILE B 564 153.847 229.289 210.756 1.00 32.51 H +ATOM 17291 HA ILE B 564 151.542 228.466 211.676 1.00 33.19 H +ATOM 17292 HB ILE B 564 153.422 228.612 213.095 1.00 37.78 H +ATOM 17293 HG12 ILE B 564 152.310 229.482 215.007 1.00 32.29 H +ATOM 17294 HG13 ILE B 564 151.159 230.004 214.048 1.00 32.29 H +ATOM 17295 HG21 ILE B 564 154.113 230.679 213.948 1.00 43.30 H +ATOM 17296 HG22 ILE B 564 154.326 230.626 212.374 1.00 43.30 H +ATOM 17297 HG23 ILE B 564 153.087 231.413 212.982 1.00 43.30 H +ATOM 17298 HD11 ILE B 564 150.508 228.037 215.073 1.00 41.29 H +ATOM 17299 HD12 ILE B 564 150.619 227.814 213.504 1.00 41.29 H +ATOM 17300 HD13 ILE B 564 151.772 227.292 214.464 1.00 41.29 H +ATOM 17301 N GLN B 565 151.673 231.511 210.810 1.00 40.79 N +ATOM 17302 CA GLN B 565 150.878 232.709 210.555 1.00 43.25 C +ATOM 17303 C GLN B 565 149.782 232.447 209.525 1.00 37.94 C +ATOM 17304 O GLN B 565 148.641 232.862 209.713 1.00 29.66 O +ATOM 17305 CB GLN B 565 151.774 233.859 210.085 1.00 40.25 C +ATOM 17306 CG GLN B 565 151.024 235.109 209.624 1.00 50.72 C +ATOM 17307 CD GLN B 565 150.184 235.744 210.720 1.00 54.53 C +ATOM 17308 OE1 GLN B 565 150.656 236.614 211.452 1.00 52.52 O +ATOM 17309 NE2 GLN B 565 148.929 235.321 210.828 1.00 54.95 N +ATOM 17310 H GLN B 565 152.476 231.550 210.504 1.00 48.95 H +ATOM 17311 HA GLN B 565 150.451 232.984 211.381 1.00 51.89 H +ATOM 17312 HB2 GLN B 565 152.354 234.118 210.818 1.00 48.30 H +ATOM 17313 HB3 GLN B 565 152.311 233.547 209.339 1.00 48.30 H +ATOM 17314 HG2 GLN B 565 151.668 235.769 209.322 1.00 60.86 H +ATOM 17315 HG3 GLN B 565 150.431 234.869 208.895 1.00 60.86 H +ATOM 17316 HE21 GLN B 565 148.631 234.717 210.294 1.00 65.94 H +ATOM 17317 HE22 GLN B 565 148.415 235.651 211.434 1.00 65.94 H +ATOM 17318 N SER B 566 150.127 231.761 208.440 1.00 33.72 N +ATOM 17319 CA SER B 566 149.162 231.481 207.382 1.00 38.96 C +ATOM 17320 C SER B 566 148.131 230.449 207.837 1.00 40.63 C +ATOM 17321 O SER B 566 147.001 230.447 207.355 1.00 44.44 O +ATOM 17322 CB SER B 566 149.867 230.991 206.116 1.00 38.15 C +ATOM 17323 OG SER B 566 150.243 229.632 206.231 1.00 50.78 O +ATOM 17324 H SER B 566 150.914 231.447 208.291 1.00 40.46 H +ATOM 17325 HA SER B 566 148.689 232.299 207.163 1.00 46.76 H +ATOM 17326 HB2 SER B 566 149.264 231.088 205.362 1.00 45.78 H +ATOM 17327 HB3 SER B 566 150.663 231.527 205.973 1.00 45.78 H +ATOM 17328 HG SER B 566 150.628 229.380 205.529 1.00 60.94 H +ATOM 17329 N LEU B 567 148.527 229.571 208.753 1.00 45.90 N +ATOM 17330 CA LEU B 567 147.602 228.601 209.333 1.00 37.79 C +ATOM 17331 C LEU B 567 146.500 229.333 210.080 1.00 39.85 C +ATOM 17332 O LEU B 567 145.317 229.032 209.924 1.00 36.24 O +ATOM 17333 CB LEU B 567 148.332 227.644 210.279 1.00 39.09 C +ATOM 17334 CG LEU B 567 147.460 226.622 211.017 1.00 39.35 C +ATOM 17335 CD1 LEU B 567 146.908 225.571 210.062 1.00 30.72 C +ATOM 17336 CD2 LEU B 567 148.240 225.964 212.142 1.00 39.72 C +ATOM 17337 H LEU B 567 149.330 229.516 209.057 1.00 55.08 H +ATOM 17338 HA LEU B 567 147.197 228.079 208.623 1.00 45.35 H +ATOM 17339 HB2 LEU B 567 148.985 227.146 209.763 1.00 46.91 H +ATOM 17340 HB3 LEU B 567 148.789 228.172 210.952 1.00 46.91 H +ATOM 17341 HG LEU B 567 146.706 227.085 211.413 1.00 47.22 H +ATOM 17342 HD11 LEU B 567 146.364 224.944 210.563 1.00 36.87 H +ATOM 17343 HD12 LEU B 567 146.368 226.012 209.387 1.00 36.87 H +ATOM 17344 HD13 LEU B 567 147.648 225.106 209.643 1.00 36.87 H +ATOM 17345 HD21 LEU B 567 147.666 225.323 212.591 1.00 47.66 H +ATOM 17346 HD22 LEU B 567 149.012 225.511 211.768 1.00 47.66 H +ATOM 17347 HD23 LEU B 567 148.527 226.647 212.768 1.00 47.66 H +ATOM 17348 N ILE B 568 146.906 230.296 210.899 1.00 40.84 N +ATOM 17349 CA ILE B 568 145.966 231.107 211.656 1.00 46.62 C +ATOM 17350 C ILE B 568 145.187 232.014 210.711 1.00 43.55 C +ATOM 17351 O ILE B 568 143.974 232.163 210.839 1.00 38.81 O +ATOM 17352 CB ILE B 568 146.703 231.937 212.737 1.00 35.36 C +ATOM 17353 CG1 ILE B 568 146.760 231.150 214.049 1.00 35.79 C +ATOM 17354 CG2 ILE B 568 146.016 233.282 212.992 1.00 79.42 C +ATOM 17355 CD1 ILE B 568 147.407 229.780 213.932 1.00 42.34 C +ATOM 17356 H ILE B 568 147.730 230.500 211.033 1.00 49.01 H +ATOM 17357 HA ILE B 568 145.333 230.524 212.104 1.00 55.94 H +ATOM 17358 HB ILE B 568 147.610 232.104 212.436 1.00 42.43 H +ATOM 17359 HG12 ILE B 568 147.271 231.663 214.696 1.00 42.95 H +ATOM 17360 HG13 ILE B 568 145.856 231.022 214.374 1.00 42.95 H +ATOM 17361 HG21 ILE B 568 146.511 233.764 213.673 1.00 95.30 H +ATOM 17362 HG22 ILE B 568 146.006 233.792 212.167 1.00 95.30 H +ATOM 17363 HG23 ILE B 568 145.109 233.121 213.294 1.00 95.30 H +ATOM 17364 HD11 ILE B 568 147.402 229.354 214.804 1.00 50.80 H +ATOM 17365 HD12 ILE B 568 146.902 229.246 213.299 1.00 50.80 H +ATOM 17366 HD13 ILE B 568 148.320 229.888 213.622 1.00 50.80 H +ATOM 17367 N CYS B 569 145.890 232.599 209.749 1.00 43.08 N +ATOM 17368 CA CYS B 569 145.286 233.556 208.830 1.00 44.39 C +ATOM 17369 C CYS B 569 144.161 232.932 208.008 1.00 46.67 C +ATOM 17370 O CYS B 569 143.130 233.562 207.773 1.00 53.42 O +ATOM 17371 CB CYS B 569 146.347 234.134 207.895 1.00 40.06 C +ATOM 17372 SG CYS B 569 145.778 235.553 206.944 1.00 55.69 S +ATOM 17373 H CYS B 569 146.726 232.458 209.605 1.00 51.70 H +ATOM 17374 HA CYS B 569 144.909 234.288 209.343 1.00 53.26 H +ATOM 17375 HB2 CYS B 569 147.109 234.418 208.424 1.00 48.07 H +ATOM 17376 HB3 CYS B 569 146.620 233.447 207.267 1.00 48.07 H +ATOM 17377 N ASN B 570 144.359 231.691 207.576 1.00 41.76 N +ATOM 17378 CA ASN B 570 143.385 231.015 206.727 1.00 42.08 C +ATOM 17379 C ASN B 570 142.173 230.485 207.489 1.00 40.54 C +ATOM 17380 O ASN B 570 141.107 230.300 206.904 1.00 43.62 O +ATOM 17381 CB ASN B 570 144.047 229.856 205.979 1.00 42.99 C +ATOM 17382 CG ASN B 570 144.940 230.319 204.844 1.00 35.80 C +ATOM 17383 OD1 ASN B 570 144.743 231.395 204.284 1.00 61.06 O +ATOM 17384 ND2 ASN B 570 145.925 229.500 204.494 1.00 39.65 N +ATOM 17385 H ASN B 570 145.053 231.217 207.761 1.00 50.11 H +ATOM 17386 HA ASN B 570 143.061 231.646 206.065 1.00 50.49 H +ATOM 17387 HB2 ASN B 570 144.591 229.349 206.601 1.00 51.58 H +ATOM 17388 HB3 ASN B 570 143.356 229.287 205.603 1.00 51.58 H +ATOM 17389 HD21 ASN B 570 146.459 229.718 203.856 1.00 47.58 H +ATOM 17390 HD22 ASN B 570 146.029 228.752 204.905 1.00 47.58 H +ATOM 17391 N ASN B 571 142.331 230.251 208.789 1.00 35.99 N +ATOM 17392 CA ASN B 571 141.312 229.548 209.567 1.00 37.17 C +ATOM 17393 C ASN B 571 140.791 230.301 210.790 1.00 36.68 C +ATOM 17394 O ASN B 571 139.858 229.838 211.445 1.00 42.23 O +ATOM 17395 CB ASN B 571 141.859 228.195 210.016 1.00 35.29 C +ATOM 17396 CG ASN B 571 142.243 227.312 208.849 1.00 37.38 C +ATOM 17397 OD1 ASN B 571 141.381 226.796 208.138 1.00 36.48 O +ATOM 17398 ND2 ASN B 571 143.542 227.134 208.643 1.00 31.19 N +ATOM 17399 H ASN B 571 143.021 230.488 209.245 1.00 43.18 H +ATOM 17400 HA ASN B 571 140.552 229.377 208.989 1.00 44.60 H +ATOM 17401 HB2 ASN B 571 142.651 228.337 210.559 1.00 42.35 H +ATOM 17402 HB3 ASN B 571 141.180 227.733 210.533 1.00 42.35 H +ATOM 17403 HD21 ASN B 571 143.811 226.641 207.992 1.00 37.43 H +ATOM 17404 HD22 ASN B 571 144.115 227.513 209.161 1.00 37.43 H +ATOM 17405 N VAL B 572 141.383 231.450 211.098 1.00 38.69 N +ATOM 17406 CA VAL B 572 140.946 232.246 212.242 1.00 48.27 C +ATOM 17407 C VAL B 572 140.318 233.555 211.770 1.00 52.87 C +ATOM 17408 O VAL B 572 140.858 234.249 210.908 1.00 45.87 O +ATOM 17409 CB VAL B 572 142.110 232.538 213.211 1.00 41.38 C +ATOM 17410 CG1 VAL B 572 141.623 233.324 214.416 1.00 41.34 C +ATOM 17411 CG2 VAL B 572 142.753 231.234 213.663 1.00 37.91 C +ATOM 17412 H VAL B 572 142.040 231.792 210.661 1.00 46.43 H +ATOM 17413 HA VAL B 572 140.270 231.751 212.730 1.00 57.92 H +ATOM 17414 HB VAL B 572 142.783 233.067 212.754 1.00 49.66 H +ATOM 17415 HG11 VAL B 572 142.374 233.494 215.007 1.00 49.61 H +ATOM 17416 HG12 VAL B 572 141.244 234.164 214.113 1.00 49.61 H +ATOM 17417 HG13 VAL B 572 140.948 232.805 214.879 1.00 49.61 H +ATOM 17418 HG21 VAL B 572 143.482 231.436 214.270 1.00 45.50 H +ATOM 17419 HG22 VAL B 572 142.086 230.693 214.114 1.00 45.50 H +ATOM 17420 HG23 VAL B 572 143.091 230.763 212.885 1.00 45.50 H +ATOM 17421 N LYS B 573 139.163 233.868 212.344 1.00 54.71 N +ATOM 17422 CA LYS B 573 138.400 235.061 211.995 1.00 54.99 C +ATOM 17423 C LYS B 573 139.220 236.325 212.237 1.00 51.57 C +ATOM 17424 O LYS B 573 139.763 236.521 213.324 1.00 50.01 O +ATOM 17425 CB LYS B 573 137.105 235.094 212.813 1.00 58.35 C +ATOM 17426 CG LYS B 573 136.075 236.119 212.386 1.00 54.83 C +ATOM 17427 CD LYS B 573 134.949 236.159 213.413 1.00 66.29 C +ATOM 17428 CE LYS B 573 133.848 237.131 213.036 1.00 81.31 C +ATOM 17429 NZ LYS B 573 132.824 237.225 214.116 1.00 68.87 N +ATOM 17430 H LYS B 573 138.790 233.392 212.955 1.00 65.65 H +ATOM 17431 HA LYS B 573 138.165 235.026 211.055 1.00 65.99 H +ATOM 17432 HB2 LYS B 573 136.686 234.221 212.755 1.00 70.02 H +ATOM 17433 HB3 LYS B 573 137.333 235.281 213.737 1.00 70.02 H +ATOM 17434 HG2 LYS B 573 136.486 236.996 212.341 1.00 65.79 H +ATOM 17435 HG3 LYS B 573 135.703 235.869 211.526 1.00 65.79 H +ATOM 17436 HD2 LYS B 573 134.556 235.275 213.486 1.00 79.54 H +ATOM 17437 HD3 LYS B 573 135.312 236.434 214.269 1.00 79.54 H +ATOM 17438 HE2 LYS B 573 134.230 238.013 212.900 1.00 97.57 H +ATOM 17439 HE3 LYS B 573 133.411 236.824 212.226 1.00 97.57 H +ATOM 17440 HZ1 LYS B 573 132.185 237.798 213.881 1.00 82.64 H +ATOM 17441 HZ2 LYS B 573 132.457 236.426 214.258 1.00 82.64 H +ATOM 17442 HZ3 LYS B 573 133.202 237.507 214.871 1.00 82.64 H +ATOM 17443 N GLY B 574 139.315 237.169 211.213 1.00 45.92 N +ATOM 17444 CA GLY B 574 140.031 238.429 211.317 1.00 51.64 C +ATOM 17445 C GLY B 574 141.482 238.349 210.877 1.00 49.72 C +ATOM 17446 O GLY B 574 142.108 239.377 210.623 1.00 47.96 O +ATOM 17447 H GLY B 574 138.968 237.030 210.439 1.00 55.10 H +ATOM 17448 HA2 GLY B 574 139.586 239.094 210.769 1.00 61.97 H +ATOM 17449 HA3 GLY B 574 140.011 238.732 212.238 1.00 61.97 H +ATOM 17450 N CYS B 575 142.013 237.132 210.790 1.00 60.38 N +ATOM 17451 CA CYS B 575 143.403 236.909 210.394 1.00 49.50 C +ATOM 17452 C CYS B 575 144.361 237.660 211.316 1.00 44.52 C +ATOM 17453 O CYS B 575 145.163 238.472 210.858 1.00 47.03 O +ATOM 17454 CB CYS B 575 143.621 237.337 208.938 1.00 48.38 C +ATOM 17455 SG CYS B 575 145.278 237.010 208.272 1.00 45.83 S +ATOM 17456 H CYS B 575 141.582 236.407 210.957 1.00 72.46 H +ATOM 17457 HA CYS B 575 143.603 235.962 210.461 1.00 59.40 H +ATOM 17458 HB2 CYS B 575 142.984 236.865 208.380 1.00 58.05 H +ATOM 17459 HB3 CYS B 575 143.464 238.292 208.872 1.00 58.05 H +ATOM 17460 N PRO B 576 144.282 237.389 212.627 1.00 38.34 N +ATOM 17461 CA PRO B 576 145.127 238.113 213.580 1.00 44.99 C +ATOM 17462 C PRO B 576 146.606 237.822 213.376 1.00 52.12 C +ATOM 17463 O PRO B 576 146.956 236.766 212.850 1.00 53.12 O +ATOM 17464 CB PRO B 576 144.654 237.586 214.937 1.00 44.33 C +ATOM 17465 CG PRO B 576 144.129 236.231 214.644 1.00 42.25 C +ATOM 17466 CD PRO B 576 143.498 236.331 213.284 1.00 42.06 C +ATOM 17467 HA PRO B 576 144.968 239.068 213.525 1.00 53.99 H +ATOM 17468 HB2 PRO B 576 145.404 237.540 215.551 1.00 53.20 H +ATOM 17469 HB3 PRO B 576 143.954 238.159 215.287 1.00 53.20 H +ATOM 17470 HG2 PRO B 576 144.860 235.593 214.635 1.00 50.70 H +ATOM 17471 HG3 PRO B 576 143.469 235.986 215.310 1.00 50.70 H +ATOM 17472 HD2 PRO B 576 143.591 235.492 212.805 1.00 50.47 H +ATOM 17473 HD3 PRO B 576 142.568 236.597 213.361 1.00 50.47 H +ATOM 17474 N PHE B 577 147.462 238.753 213.777 1.00 54.58 N +ATOM 17475 CA PHE B 577 148.889 238.486 213.800 1.00 56.97 C +ATOM 17476 C PHE B 577 149.164 237.396 214.822 1.00 51.06 C +ATOM 17477 O PHE B 577 148.570 237.388 215.900 1.00 46.76 O +ATOM 17478 CB PHE B 577 149.690 239.743 214.145 1.00 53.84 C +ATOM 17479 CG PHE B 577 151.109 239.455 214.549 1.00 47.98 C +ATOM 17480 CD1 PHE B 577 151.438 239.251 215.880 1.00 53.36 C +ATOM 17481 CD2 PHE B 577 152.111 239.377 213.599 1.00 44.76 C +ATOM 17482 CE1 PHE B 577 152.738 238.978 216.253 1.00 44.62 C +ATOM 17483 CE2 PHE B 577 153.413 239.107 213.968 1.00 42.70 C +ATOM 17484 CZ PHE B 577 153.726 238.906 215.297 1.00 45.99 C +ATOM 17485 H PHE B 577 147.242 239.542 214.039 1.00 65.49 H +ATOM 17486 HA PHE B 577 149.174 238.170 212.928 1.00 68.37 H +ATOM 17487 HB2 PHE B 577 149.714 240.323 213.368 1.00 64.60 H +ATOM 17488 HB3 PHE B 577 149.257 240.198 214.884 1.00 64.60 H +ATOM 17489 HD1 PHE B 577 150.774 239.297 216.530 1.00 64.04 H +ATOM 17490 HD2 PHE B 577 151.905 239.510 212.702 1.00 53.71 H +ATOM 17491 HE1 PHE B 577 152.947 238.846 217.150 1.00 53.55 H +ATOM 17492 HE2 PHE B 577 154.079 239.058 213.321 1.00 51.23 H +ATOM 17493 HZ PHE B 577 154.603 238.725 215.547 1.00 55.19 H +ATOM 17494 N THR B 578 150.055 236.472 214.483 1.00 41.95 N +ATOM 17495 CA THR B 578 150.510 235.483 215.450 1.00 53.11 C +ATOM 17496 C THR B 578 151.974 235.147 215.227 1.00 43.05 C +ATOM 17497 O THR B 578 152.552 235.461 214.187 1.00 38.08 O +ATOM 17498 CB THR B 578 149.670 234.188 215.394 1.00 42.94 C +ATOM 17499 OG1 THR B 578 149.908 233.416 216.578 1.00 43.05 O +ATOM 17500 CG2 THR B 578 150.003 233.354 214.159 1.00 38.50 C +ATOM 17501 H THR B 578 150.409 236.396 213.704 1.00 50.34 H +ATOM 17502 HA THR B 578 150.422 235.855 216.342 1.00 63.74 H +ATOM 17503 HB THR B 578 148.730 234.423 215.354 1.00 51.53 H +ATOM 17504 HG1 THR B 578 149.690 233.858 217.258 1.00 51.66 H +ATOM 17505 HG21 THR B 578 149.463 232.548 214.148 1.00 46.21 H +ATOM 17506 HG22 THR B 578 149.822 233.866 213.355 1.00 46.21 H +ATOM 17507 HG23 THR B 578 150.941 233.105 214.170 1.00 46.21 H +ATOM 17508 N SER B 579 152.558 234.495 216.223 1.00 43.23 N +ATOM 17509 CA SER B 579 153.978 234.199 216.239 1.00 36.44 C +ATOM 17510 C SER B 579 154.266 233.351 217.465 1.00 37.98 C +ATOM 17511 O SER B 579 153.444 233.283 218.378 1.00 36.47 O +ATOM 17512 CB SER B 579 154.801 235.489 216.259 1.00 41.10 C +ATOM 17513 OG SER B 579 156.158 235.233 216.568 1.00 41.08 O +ATOM 17514 H SER B 579 152.140 234.207 216.917 1.00 51.88 H +ATOM 17515 HA SER B 579 154.215 233.691 215.447 1.00 43.73 H +ATOM 17516 HB2 SER B 579 154.752 235.906 215.384 1.00 49.32 H +ATOM 17517 HB3 SER B 579 154.434 236.085 216.930 1.00 49.32 H +ATOM 17518 HG SER B 579 156.592 235.952 216.574 1.00 49.29 H +ATOM 17519 N PHE B 580 155.424 232.702 217.492 1.00 34.15 N +ATOM 17520 CA PHE B 580 155.789 231.862 218.626 1.00 39.26 C +ATOM 17521 C PHE B 580 156.516 232.654 219.709 1.00 38.29 C +ATOM 17522 O PHE B 580 156.912 232.091 220.727 1.00 40.96 O +ATOM 17523 CB PHE B 580 156.646 230.684 218.160 1.00 38.82 C +ATOM 17524 CG PHE B 580 155.863 229.593 217.474 1.00 35.85 C +ATOM 17525 CD1 PHE B 580 154.634 229.183 217.966 1.00 35.07 C +ATOM 17526 CD2 PHE B 580 156.357 228.980 216.337 1.00 38.09 C +ATOM 17527 CE1 PHE B 580 153.919 228.183 217.340 1.00 35.49 C +ATOM 17528 CE2 PHE B 580 155.644 227.981 215.707 1.00 36.66 C +ATOM 17529 CZ PHE B 580 154.424 227.582 216.209 1.00 33.30 C +ATOM 17530 H PHE B 580 156.016 232.732 216.869 1.00 40.98 H +ATOM 17531 HA PHE B 580 154.978 231.501 219.018 1.00 47.12 H +ATOM 17532 HB2 PHE B 580 157.311 231.009 217.534 1.00 46.58 H +ATOM 17533 HB3 PHE B 580 157.085 230.293 218.931 1.00 46.58 H +ATOM 17534 HD1 PHE B 580 154.289 229.585 218.731 1.00 42.08 H +ATOM 17535 HD2 PHE B 580 157.180 229.244 215.993 1.00 45.71 H +ATOM 17536 HE1 PHE B 580 153.096 227.916 217.680 1.00 42.59 H +ATOM 17537 HE2 PHE B 580 155.987 227.576 214.943 1.00 43.99 H +ATOM 17538 HZ PHE B 580 153.943 226.909 215.784 1.00 39.96 H +ATOM 17539 N SER B 581 156.678 233.956 219.493 1.00 38.81 N +ATOM 17540 CA SER B 581 157.253 234.832 220.507 1.00 43.06 C +ATOM 17541 C SER B 581 156.381 236.064 220.720 1.00 41.97 C +ATOM 17542 O SER B 581 155.604 236.442 219.844 1.00 39.36 O +ATOM 17543 CB SER B 581 158.673 235.253 220.120 1.00 36.31 C +ATOM 17544 OG SER B 581 158.713 235.766 218.802 1.00 39.70 O +ATOM 17545 H SER B 581 156.462 234.358 218.764 1.00 46.57 H +ATOM 17546 HA SER B 581 157.303 234.351 221.348 1.00 51.68 H +ATOM 17547 HB2 SER B 581 158.977 235.939 220.734 1.00 43.57 H +ATOM 17548 HB3 SER B 581 159.256 234.479 220.174 1.00 43.57 H +ATOM 17549 HG SER B 581 158.453 235.181 218.258 1.00 47.64 H +ATOM 17550 N VAL B 582 156.512 236.682 221.888 1.00 43.85 N +ATOM 17551 CA VAL B 582 155.706 237.850 222.223 1.00 45.01 C +ATOM 17552 C VAL B 582 156.216 239.084 221.473 1.00 47.05 C +ATOM 17553 O VAL B 582 157.423 239.279 221.350 1.00 47.03 O +ATOM 17554 CB VAL B 582 155.712 238.129 223.744 1.00 41.98 C +ATOM 17555 CG1 VAL B 582 155.227 236.905 224.504 1.00 41.91 C +ATOM 17556 CG2 VAL B 582 157.098 238.536 224.233 1.00 47.38 C +ATOM 17557 H VAL B 582 157.061 236.444 222.506 1.00 52.62 H +ATOM 17558 HA VAL B 582 154.789 237.690 221.951 1.00 54.02 H +ATOM 17559 HB VAL B 582 155.102 238.859 223.932 1.00 50.37 H +ATOM 17560 HG11 VAL B 582 155.238 237.099 225.455 1.00 50.29 H +ATOM 17561 HG12 VAL B 582 154.324 236.694 224.220 1.00 50.29 H +ATOM 17562 HG13 VAL B 582 155.817 236.160 224.312 1.00 50.29 H +ATOM 17563 HG21 VAL B 582 157.060 238.702 225.188 1.00 56.86 H +ATOM 17564 HG22 VAL B 582 157.722 237.818 224.046 1.00 56.86 H +ATOM 17565 HG23 VAL B 582 157.372 239.342 223.768 1.00 56.86 H +ATOM 17566 N PRO B 583 155.299 239.914 220.943 1.00 59.51 N +ATOM 17567 CA PRO B 583 155.738 241.178 220.334 1.00 57.01 C +ATOM 17568 C PRO B 583 156.283 242.166 221.359 1.00 45.15 C +ATOM 17569 O PRO B 583 157.500 242.237 221.522 1.00 48.45 O +ATOM 17570 CB PRO B 583 154.461 241.720 219.687 1.00 63.30 C +ATOM 17571 CG PRO B 583 153.585 240.534 219.510 1.00 71.50 C +ATOM 17572 CD PRO B 583 153.879 239.641 220.665 1.00 56.48 C +ATOM 17573 HA PRO B 583 156.406 241.015 219.650 1.00 68.42 H +ATOM 17574 HB2 PRO B 583 154.045 242.369 220.276 1.00 75.95 H +ATOM 17575 HB3 PRO B 583 154.673 242.121 218.830 1.00 75.95 H +ATOM 17576 HG2 PRO B 583 152.656 240.811 219.520 1.00 85.80 H +ATOM 17577 HG3 PRO B 583 153.801 240.092 218.674 1.00 85.80 H +ATOM 17578 HD2 PRO B 583 153.331 239.883 221.429 1.00 67.78 H +ATOM 17579 HD3 PRO B 583 153.754 238.712 220.417 1.00 67.78 H +TER 17580 PRO B 583 +END diff --git a/data/examples/ibuprofen_complete/protein/cleaned.pdb b/data/examples/ibuprofen_complete/protein/cleaned.pdb new file mode 100644 index 0000000000000000000000000000000000000000..2abad118b716dd65d780b3372a313aa2c18ef405 --- /dev/null +++ b/data/examples/ibuprofen_complete/protein/cleaned.pdb @@ -0,0 +1,18098 @@ +ATOM 1 N ASN A 34 137.227 207.570 183.594 1.00 58.09 N +ATOM 2 CA ASN A 34 138.533 207.856 184.179 1.00 72.91 C +ATOM 3 C ASN A 34 139.630 207.732 183.119 1.00 69.61 C +ATOM 4 O ASN A 34 139.895 206.636 182.629 1.00 66.66 O +ATOM 5 CB ASN A 34 138.811 206.908 185.347 1.00103.15 C +ATOM 6 CG ASN A 34 140.040 207.308 186.155 1.00 86.51 C +ATOM 7 OD1 ASN A 34 140.862 208.111 185.714 1.00 75.02 O +ATOM 8 ND2 ASN A 34 140.169 206.738 187.345 1.00 78.87 N +ATOM 9 HA ASN A 34 138.539 208.765 184.517 1.00 87.49 H +ATOM 10 HB2 ASN A 34 138.046 206.911 185.944 1.00123.78 H +ATOM 11 HB3 ASN A 34 138.958 206.014 185.001 1.00123.78 H +ATOM 12 HD21 ASN A 34 140.845 206.928 187.842 1.00 94.64 H +ATOM 13 HD22 ASN A 34 139.577 206.178 187.620 1.00 94.64 H +ATOM 14 N PRO A 35 140.282 208.853 182.762 1.00 63.75 N +ATOM 15 CA PRO A 35 141.245 208.816 181.653 1.00 66.34 C +ATOM 16 C PRO A 35 142.507 208.008 181.959 1.00 65.54 C +ATOM 17 O PRO A 35 143.212 207.612 181.031 1.00 69.99 O +ATOM 18 CB PRO A 35 141.586 210.294 181.446 1.00 62.88 C +ATOM 19 CG PRO A 35 141.355 210.918 182.770 1.00 65.15 C +ATOM 20 CD PRO A 35 140.194 210.192 183.368 1.00 62.11 C +ATOM 21 HA PRO A 35 140.824 208.468 180.851 1.00 79.61 H +ATOM 22 HB2 PRO A 35 142.515 210.382 181.180 1.00 75.46 H +ATOM 23 HB3 PRO A 35 140.997 210.676 180.777 1.00 75.46 H +ATOM 24 HG2 PRO A 35 142.146 210.810 183.322 1.00 78.18 H +ATOM 25 HG3 PRO A 35 141.146 211.858 182.654 1.00 78.18 H +ATOM 26 HD2 PRO A 35 140.291 210.135 184.332 1.00 74.53 H +ATOM 27 HD3 PRO A 35 139.362 210.623 183.119 1.00 74.53 H +ATOM 28 N CYS A 36 142.781 207.766 183.235 1.00 71.58 N +ATOM 29 CA CYS A 36 143.973 207.022 183.629 1.00 57.43 C +ATOM 30 C CYS A 36 143.807 205.516 183.426 1.00 54.36 C +ATOM 31 O CYS A 36 144.756 204.754 183.608 1.00 54.61 O +ATOM 32 CB CYS A 36 144.318 207.316 185.089 1.00 46.02 C +ATOM 33 SG CYS A 36 144.905 208.999 185.381 1.00 43.61 S +ATOM 34 H CYS A 36 142.293 208.023 183.895 1.00 85.90 H +ATOM 35 HA CYS A 36 144.719 207.315 183.083 1.00 68.91 H +ATOM 36 HB2 CYS A 36 143.525 207.181 185.631 1.00 55.22 H +ATOM 37 HB3 CYS A 36 145.017 206.706 185.373 1.00 55.22 H +ATOM 38 N CYS A 37 142.604 205.092 183.051 1.00 58.33 N +ATOM 39 CA CYS A 37 142.333 203.681 182.788 1.00 57.70 C +ATOM 40 C CYS A 37 143.266 203.108 181.725 1.00 60.10 C +ATOM 41 O CYS A 37 143.586 201.921 181.747 1.00 55.74 O +ATOM 42 CB CYS A 37 140.881 203.488 182.346 1.00 55.56 C +ATOM 43 SG CYS A 37 139.665 203.670 183.660 1.00 54.15 S +ATOM 44 H CYS A 37 141.922 205.605 182.940 1.00 69.99 H +ATOM 45 HA CYS A 37 142.466 203.177 183.606 1.00 69.24 H +ATOM 46 HB2 CYS A 37 140.676 204.146 181.662 1.00 66.68 H +ATOM 47 HB3 CYS A 37 140.786 202.596 181.978 1.00 66.68 H +ATOM 48 N SER A 38 143.697 203.954 180.794 1.00 55.64 N +ATOM 49 CA SER A 38 144.555 203.516 179.700 1.00 54.14 C +ATOM 50 C SER A 38 146.020 203.426 180.124 1.00 51.11 C +ATOM 51 O SER A 38 146.876 203.035 179.329 1.00 47.38 O +ATOM 52 CB SER A 38 144.416 204.462 178.504 1.00 52.90 C +ATOM 53 OG SER A 38 144.772 205.788 178.852 1.00 55.46 O +ATOM 54 H SER A 38 143.504 204.792 180.774 1.00 66.77 H +ATOM 55 HA SER A 38 144.273 202.633 179.415 1.00 64.97 H +ATOM 56 HB2 SER A 38 144.999 204.156 177.792 1.00 63.48 H +ATOM 57 HB3 SER A 38 143.494 204.453 178.203 1.00 63.48 H +ATOM 58 HG SER A 38 144.690 206.292 178.185 1.00 66.55 H +ATOM 59 N HIS A 39 146.296 203.780 181.376 1.00 63.44 N +ATOM 60 CA HIS A 39 147.660 203.800 181.904 1.00 53.75 C +ATOM 61 C HIS A 39 148.596 204.581 180.979 1.00 56.48 C +ATOM 62 O HIS A 39 149.604 204.049 180.513 1.00 47.22 O +ATOM 63 CB HIS A 39 148.176 202.373 182.102 1.00 46.41 C +ATOM 64 CG HIS A 39 147.180 201.454 182.741 1.00 53.76 C +ATOM 65 ND1 HIS A 39 146.724 201.628 184.029 1.00 59.36 N +ATOM 66 CD2 HIS A 39 146.551 200.354 182.265 1.00 47.58 C +ATOM 67 CE1 HIS A 39 145.856 200.675 184.319 1.00 52.93 C +ATOM 68 NE2 HIS A 39 145.734 199.888 183.266 1.00 51.87 N +ATOM 69 H HIS A 39 145.701 204.017 181.950 1.00 76.13 H +ATOM 70 HA HIS A 39 147.658 204.240 182.769 1.00 64.50 H +ATOM 71 HB2 HIS A 39 148.409 202.002 181.237 1.00 55.69 H +ATOM 72 HB3 HIS A 39 148.961 202.401 182.671 1.00 55.69 H +ATOM 73 HD2 HIS A 39 146.653 199.983 181.418 1.00 57.09 H +ATOM 74 HE1 HIS A 39 145.409 200.574 185.128 1.00 63.51 H +ATOM 75 HE2 HIS A 39 145.226 199.196 183.215 1.00 62.24 H +ATOM 76 N PRO A 40 148.262 205.852 180.715 1.00 47.36 N +ATOM 77 CA PRO A 40 148.984 206.672 179.735 1.00 51.68 C +ATOM 78 C PRO A 40 150.408 207.042 180.150 1.00 53.98 C +ATOM 79 O PRO A 40 151.262 207.225 179.285 1.00 54.90 O +ATOM 80 CB PRO A 40 148.113 207.928 179.631 1.00 54.99 C +ATOM 81 CG PRO A 40 147.426 208.018 180.943 1.00 54.53 C +ATOM 82 CD PRO A 40 147.169 206.602 181.359 1.00 52.86 C +ATOM 83 HA PRO A 40 149.006 206.225 178.874 1.00 62.01 H +ATOM 84 HB2 PRO A 40 148.674 208.705 179.481 1.00 65.98 H +ATOM 85 HB3 PRO A 40 147.470 207.823 178.912 1.00 65.98 H +ATOM 86 HG2 PRO A 40 148.004 208.463 181.583 1.00 65.44 H +ATOM 87 HG3 PRO A 40 146.592 208.502 180.841 1.00 65.44 H +ATOM 88 HD2 PRO A 40 147.223 206.518 182.324 1.00 63.43 H +ATOM 89 HD3 PRO A 40 146.309 206.302 181.023 1.00 63.43 H +ATOM 90 N CYS A 41 150.660 207.145 181.450 1.00 52.89 N +ATOM 91 CA CYS A 41 151.951 207.624 181.940 1.00 51.27 C +ATOM 92 C CYS A 41 153.016 206.531 181.930 1.00 44.64 C +ATOM 93 O CYS A 41 152.841 205.474 182.532 1.00 50.59 O +ATOM 94 CB CYS A 41 151.794 208.190 183.350 1.00 44.43 C +ATOM 95 SG CYS A 41 150.551 209.496 183.450 1.00 50.24 S +ATOM 96 H CYS A 41 150.101 206.945 182.071 1.00 63.47 H +ATOM 97 HA CYS A 41 152.257 208.342 181.364 1.00 61.53 H +ATOM 98 HB2 CYS A 41 151.526 207.475 183.948 1.00 53.31 H +ATOM 99 HB3 CYS A 41 152.643 208.562 183.636 1.00 53.31 H +ATOM 100 N GLN A 42 154.123 206.809 181.244 1.00 47.49 N +ATOM 101 CA GLN A 42 155.211 205.848 181.081 1.00 45.79 C +ATOM 102 C GLN A 42 156.344 206.093 182.070 1.00 40.65 C +ATOM 103 O GLN A 42 156.445 207.166 182.662 1.00 40.25 O +ATOM 104 CB GLN A 42 155.770 205.913 179.655 1.00 56.32 C +ATOM 105 CG GLN A 42 154.724 205.801 178.560 1.00 53.80 C +ATOM 106 CD GLN A 42 153.883 204.548 178.682 1.00 62.79 C +ATOM 107 OE1 GLN A 42 154.346 203.443 178.401 1.00 58.94 O +ATOM 108 NE2 GLN A 42 152.637 204.715 179.106 1.00 68.01 N +ATOM 109 H GLN A 42 154.269 207.562 180.856 1.00 56.99 H +ATOM 110 HA GLN A 42 154.869 204.953 181.230 1.00 54.95 H +ATOM 111 HB2 GLN A 42 156.227 206.761 179.540 1.00 67.59 H +ATOM 112 HB3 GLN A 42 156.400 205.185 179.536 1.00 67.59 H +ATOM 113 HG2 GLN A 42 154.131 206.567 178.610 1.00 64.56 H +ATOM 114 HG3 GLN A 42 155.169 205.781 177.698 1.00 64.56 H +ATOM 115 HE21 GLN A 42 152.349 205.503 179.295 1.00 81.62 H +ATOM 116 HE22 GLN A 42 152.118 204.035 179.193 1.00 81.62 H +ATOM 117 N ASN A 43 157.190 205.081 182.242 1.00 43.96 N +ATOM 118 CA ASN A 43 158.433 205.211 182.996 1.00 37.90 C +ATOM 119 C ASN A 43 158.239 205.680 184.436 1.00 44.16 C +ATOM 120 O ASN A 43 158.953 206.566 184.905 1.00 36.11 O +ATOM 121 CB ASN A 43 159.378 206.171 182.270 1.00 40.73 C +ATOM 122 CG ASN A 43 159.671 205.734 180.850 1.00 42.35 C +ATOM 123 OD1 ASN A 43 160.370 204.748 180.624 1.00 39.79 O +ATOM 124 ND2 ASN A 43 159.141 206.470 179.881 1.00 46.12 N +ATOM 125 H ASN A 43 157.063 204.292 181.923 1.00 52.75 H +ATOM 126 HA ASN A 43 158.866 204.343 183.028 1.00 45.48 H +ATOM 127 HB2 ASN A 43 158.970 207.051 182.236 1.00 48.88 H +ATOM 128 HB3 ASN A 43 160.218 206.214 182.752 1.00 48.88 H +ATOM 129 HD21 ASN A 43 159.279 206.262 179.058 1.00 55.35 H +ATOM 130 HD22 ASN A 43 158.659 207.155 180.077 1.00 55.35 H +ATOM 131 N ARG A 44 157.269 205.079 185.122 1.00 46.50 N +ATOM 132 CA ARG A 44 157.003 205.332 186.542 1.00 49.60 C +ATOM 133 C ARG A 44 156.385 206.705 186.805 1.00 55.75 C +ATOM 134 O ARG A 44 156.342 207.155 187.949 1.00 59.39 O +ATOM 135 CB ARG A 44 158.284 205.188 187.376 1.00 48.00 C +ATOM 136 CG ARG A 44 159.000 203.855 187.221 1.00 46.02 C +ATOM 137 CD ARG A 44 158.152 202.684 187.693 1.00 58.59 C +ATOM 138 NE ARG A 44 157.479 202.950 188.962 1.00 74.30 N +ATOM 139 CZ ARG A 44 158.074 202.943 190.150 1.00 67.48 C +ATOM 140 NH1 ARG A 44 159.373 202.692 190.251 1.00 52.23 N +ATOM 141 NH2 ARG A 44 157.368 203.196 191.242 1.00 74.14 N +ATOM 142 H ARG A 44 156.734 204.502 184.776 1.00 55.80 H +ATOM 143 HA ARG A 44 156.374 204.665 186.858 1.00 59.52 H +ATOM 144 HB2 ARG A 44 158.904 205.886 187.114 1.00 57.60 H +ATOM 145 HB3 ARG A 44 158.055 205.291 188.313 1.00 57.60 H +ATOM 146 HG2 ARG A 44 159.212 203.716 186.285 1.00 55.22 H +ATOM 147 HG3 ARG A 44 159.814 203.869 187.748 1.00 55.22 H +ATOM 148 HD2 ARG A 44 157.472 202.497 187.026 1.00 70.30 H +ATOM 149 HD3 ARG A 44 158.722 201.908 187.812 1.00 70.30 H +ATOM 150 HE ARG A 44 156.637 203.124 188.938 1.00 89.16 H +ATOM 151 HH11 ARG A 44 159.836 202.527 189.545 1.00 62.67 H +ATOM 152 HH12 ARG A 44 159.752 202.690 191.024 1.00 62.67 H +ATOM 153 HH21 ARG A 44 156.526 203.361 191.181 1.00 88.97 H +ATOM 154 HH22 ARG A 44 157.751 203.195 192.012 1.00 88.97 H +ATOM 155 N GLY A 45 155.901 207.366 185.759 1.00 50.39 N +ATOM 156 CA GLY A 45 155.173 208.611 185.935 1.00 48.49 C +ATOM 157 C GLY A 45 153.831 208.344 186.592 1.00 44.37 C +ATOM 158 O GLY A 45 153.230 207.291 186.379 1.00 45.68 O +ATOM 159 H GLY A 45 155.981 207.114 184.940 1.00 60.47 H +ATOM 160 HA2 GLY A 45 155.683 209.216 186.496 1.00 58.19 H +ATOM 161 HA3 GLY A 45 155.023 209.031 185.073 1.00 58.19 H +ATOM 162 N VAL A 46 153.356 209.293 187.392 1.00 42.85 N +ATOM 163 CA VAL A 46 152.122 209.108 188.150 1.00 56.34 C +ATOM 164 C VAL A 46 150.941 209.764 187.442 1.00 53.61 C +ATOM 165 O VAL A 46 150.914 210.980 187.257 1.00 45.73 O +ATOM 166 CB VAL A 46 152.242 209.683 189.577 1.00 45.66 C +ATOM 167 CG1 VAL A 46 150.994 209.363 190.390 1.00 39.99 C +ATOM 168 CG2 VAL A 46 153.476 209.128 190.267 1.00 45.23 C +ATOM 169 H VAL A 46 153.731 210.057 187.514 1.00 51.42 H +ATOM 170 HA VAL A 46 151.937 208.159 188.224 1.00 67.61 H +ATOM 171 HB VAL A 46 152.332 210.647 189.525 1.00 54.79 H +ATOM 172 HG11 VAL A 46 151.095 209.734 191.281 1.00 47.99 H +ATOM 173 HG12 VAL A 46 150.223 209.756 189.953 1.00 47.99 H +ATOM 174 HG13 VAL A 46 150.890 208.400 190.443 1.00 47.99 H +ATOM 175 HG21 VAL A 46 153.532 209.501 191.160 1.00 54.27 H +ATOM 176 HG22 VAL A 46 153.402 208.162 190.316 1.00 54.27 H +ATOM 177 HG23 VAL A 46 154.262 209.375 189.755 1.00 54.27 H +ATOM 178 N CYS A 47 149.966 208.948 187.049 1.00 48.16 N +ATOM 179 CA CYS A 47 148.768 209.450 186.386 1.00 41.49 C +ATOM 180 C CYS A 47 147.781 209.993 187.410 1.00 42.51 C +ATOM 181 O CYS A 47 147.547 209.379 188.448 1.00 52.14 O +ATOM 182 CB CYS A 47 148.101 208.356 185.552 1.00 47.27 C +ATOM 183 SG CYS A 47 146.743 208.958 184.514 1.00 54.45 S +ATOM 184 H CYS A 47 149.975 208.094 187.156 1.00 57.79 H +ATOM 185 HA CYS A 47 149.015 210.176 185.791 1.00 49.79 H +ATOM 186 HB2 CYS A 47 148.767 207.958 184.969 1.00 56.72 H +ATOM 187 HB3 CYS A 47 147.742 207.682 186.150 1.00 56.72 H +ATOM 188 N MET A 48 147.206 211.148 187.100 1.00 49.66 N +ATOM 189 CA MET A 48 146.273 211.820 187.988 1.00 52.32 C +ATOM 190 C MET A 48 145.186 212.488 187.161 1.00 49.23 C +ATOM 191 O MET A 48 145.477 213.175 186.184 1.00 57.99 O +ATOM 192 CB MET A 48 147.015 212.847 188.847 1.00 45.94 C +ATOM 193 CG MET A 48 146.134 213.896 189.520 1.00 51.51 C +ATOM 194 SD MET A 48 147.058 215.058 190.552 1.00 56.57 S +ATOM 195 CE MET A 48 148.603 215.228 189.658 1.00 52.17 C +ATOM 196 H MET A 48 147.346 211.571 186.364 1.00 59.59 H +ATOM 197 HA MET A 48 145.867 211.167 188.579 1.00 62.79 H +ATOM 198 HB2 MET A 48 147.491 212.374 189.547 1.00 55.13 H +ATOM 199 HB3 MET A 48 147.649 213.317 188.284 1.00 55.13 H +ATOM 200 HG2 MET A 48 145.676 214.407 188.834 1.00 61.81 H +ATOM 201 HG3 MET A 48 145.487 213.447 190.085 1.00 61.81 H +ATOM 202 HE1 MET A 48 149.180 215.842 190.138 1.00 62.60 H +ATOM 203 HE2 MET A 48 149.027 214.358 189.593 1.00 62.60 H +ATOM 204 HE3 MET A 48 148.418 215.573 188.770 1.00 62.60 H +ATOM 205 N SER A 49 143.933 212.283 187.550 1.00 51.16 N +ATOM 206 CA SER A 49 142.817 212.868 186.826 1.00 51.07 C +ATOM 207 C SER A 49 142.697 214.354 187.141 1.00 53.03 C +ATOM 208 O SER A 49 142.834 214.765 188.292 1.00 50.27 O +ATOM 209 CB SER A 49 141.511 212.148 187.169 1.00 50.80 C +ATOM 210 OG SER A 49 141.102 212.428 188.497 1.00 49.67 O +ATOM 211 H SER A 49 143.705 211.809 188.230 1.00 61.39 H +ATOM 212 HA SER A 49 142.973 212.774 185.873 1.00 61.29 H +ATOM 213 HB2 SER A 49 140.819 212.445 186.558 1.00 60.96 H +ATOM 214 HB3 SER A 49 141.646 211.192 187.076 1.00 60.96 H +ATOM 215 HG SER A 49 140.980 213.253 188.592 1.00 59.60 H +ATOM 216 N VAL A 50 142.462 215.151 186.103 1.00 54.86 N +ATOM 217 CA VAL A 50 142.183 216.574 186.254 1.00 52.68 C +ATOM 218 C VAL A 50 140.858 216.872 185.570 1.00 52.64 C +ATOM 219 O VAL A 50 140.778 216.902 184.344 1.00 57.98 O +ATOM 220 CB VAL A 50 143.290 217.451 185.646 1.00 50.67 C +ATOM 221 CG1 VAL A 50 143.024 218.921 185.943 1.00 52.71 C +ATOM 222 CG2 VAL A 50 144.652 217.036 186.182 1.00 50.47 C +ATOM 223 H VAL A 50 142.458 214.885 185.285 1.00 65.83 H +ATOM 224 HA VAL A 50 142.100 216.791 187.196 1.00 63.22 H +ATOM 225 HB VAL A 50 143.297 217.334 184.683 1.00 60.80 H +ATOM 226 HG11 VAL A 50 143.733 219.455 185.552 1.00 63.25 H +ATOM 227 HG12 VAL A 50 142.170 219.171 185.558 1.00 63.25 H +ATOM 228 HG13 VAL A 50 143.004 219.050 186.905 1.00 63.25 H +ATOM 229 HG21 VAL A 50 145.333 217.602 185.786 1.00 60.56 H +ATOM 230 HG22 VAL A 50 144.656 217.139 187.147 1.00 60.56 H +ATOM 231 HG23 VAL A 50 144.814 216.109 185.948 1.00 60.56 H +ATOM 232 N GLY A 51 139.818 217.085 186.364 1.00 52.92 N +ATOM 233 CA GLY A 51 138.479 217.195 185.823 1.00 54.89 C +ATOM 234 C GLY A 51 138.001 215.827 185.379 1.00 59.87 C +ATOM 235 O GLY A 51 138.595 214.810 185.736 1.00 60.90 O +ATOM 236 H GLY A 51 139.863 217.170 187.218 1.00 63.50 H +ATOM 237 HA2 GLY A 51 137.874 217.538 186.499 1.00 65.87 H +ATOM 238 HA3 GLY A 51 138.476 217.795 185.061 1.00 65.87 H +ATOM 239 N PHE A 52 136.939 215.796 184.583 1.00 62.20 N +ATOM 240 CA PHE A 52 136.309 214.535 184.206 1.00 60.35 C +ATOM 241 C PHE A 52 136.879 213.925 182.926 1.00 62.54 C +ATOM 242 O PHE A 52 136.674 212.741 182.662 1.00 71.24 O +ATOM 243 CB PHE A 52 134.804 214.739 184.037 1.00 61.48 C +ATOM 244 CG PHE A 52 134.102 215.142 185.300 1.00 59.27 C +ATOM 245 CD1 PHE A 52 133.665 214.185 186.200 1.00 60.33 C +ATOM 246 CD2 PHE A 52 133.874 216.476 185.586 1.00 61.09 C +ATOM 247 CE1 PHE A 52 133.017 214.553 187.361 1.00 60.07 C +ATOM 248 CE2 PHE A 52 133.226 216.848 186.746 1.00 59.29 C +ATOM 249 CZ PHE A 52 132.798 215.886 187.634 1.00 58.51 C +ATOM 250 H PHE A 52 136.562 216.492 184.248 1.00 74.64 H +ATOM 251 HA PHE A 52 136.442 213.895 184.922 1.00 72.42 H +ATOM 252 HB2 PHE A 52 134.655 215.436 183.379 1.00 73.78 H +ATOM 253 HB3 PHE A 52 134.409 213.908 183.730 1.00 73.78 H +ATOM 254 HD1 PHE A 52 133.811 213.285 186.020 1.00 72.40 H +ATOM 255 HD2 PHE A 52 134.161 217.130 184.990 1.00 73.30 H +ATOM 256 HE1 PHE A 52 132.729 213.902 187.959 1.00 72.08 H +ATOM 257 HE2 PHE A 52 133.079 217.748 186.929 1.00 71.15 H +ATOM 258 HZ PHE A 52 132.361 216.136 188.416 1.00 70.21 H +ATOM 259 N ASP A 53 137.599 214.722 182.142 1.00 75.47 N +ATOM 260 CA ASP A 53 138.007 214.305 180.799 1.00 84.57 C +ATOM 261 C ASP A 53 139.492 214.506 180.497 1.00 84.74 C +ATOM 262 O ASP A 53 139.914 214.352 179.351 1.00 79.98 O +ATOM 263 CB ASP A 53 137.178 215.063 179.759 1.00 72.35 C +ATOM 264 CG ASP A 53 137.348 216.566 179.865 1.00 85.98 C +ATOM 265 OD1 ASP A 53 137.844 217.037 180.911 1.00 95.80 O +ATOM 266 OD2 ASP A 53 136.983 217.278 178.906 1.00101.40 O +ATOM 267 H ASP A 53 137.866 215.509 182.362 1.00 90.57 H +ATOM 268 HA ASP A 53 137.813 213.360 180.697 1.00101.48 H +ATOM 269 HB2 ASP A 53 137.458 214.791 178.871 1.00 86.82 H +ATOM 270 HB3 ASP A 53 136.240 214.857 179.891 1.00 86.82 H +ATOM 271 N GLN A 54 140.282 214.845 181.510 1.00 72.72 N +ATOM 272 CA GLN A 54 141.711 215.066 181.309 1.00 77.10 C +ATOM 273 C GLN A 54 142.559 214.400 182.385 1.00 68.64 C +ATOM 274 O GLN A 54 142.101 214.171 183.506 1.00 56.75 O +ATOM 275 CB GLN A 54 142.020 216.563 181.264 1.00 65.03 C +ATOM 276 CG GLN A 54 141.444 217.273 180.051 1.00 71.97 C +ATOM 277 CD GLN A 54 142.227 218.517 179.680 1.00 77.10 C +ATOM 278 OE1 GLN A 54 141.674 219.613 179.605 1.00 82.31 O +ATOM 279 NE2 GLN A 54 143.522 218.348 179.436 1.00 91.65 N +ATOM 280 H GLN A 54 140.018 214.953 182.322 1.00 87.27 H +ATOM 281 HA GLN A 54 141.967 214.685 180.454 1.00 92.51 H +ATOM 282 HB2 GLN A 54 141.651 216.982 182.056 1.00 78.03 H +ATOM 283 HB3 GLN A 54 142.983 216.683 181.247 1.00 78.03 H +ATOM 284 HG2 GLN A 54 141.462 216.669 179.292 1.00 86.37 H +ATOM 285 HG3 GLN A 54 140.531 217.539 180.243 1.00 86.37 H +ATOM 286 HE21 GLN A 54 143.872 217.565 179.493 1.00109.98 H +ATOM 287 HE22 GLN A 54 144.010 219.023 179.222 1.00109.98 H +ATOM 288 N TYR A 55 143.798 214.087 182.021 1.00 57.39 N +ATOM 289 CA TYR A 55 144.751 213.491 182.944 1.00 50.87 C +ATOM 290 C TYR A 55 146.052 214.275 182.944 1.00 53.00 C +ATOM 291 O TYR A 55 146.293 215.103 182.067 1.00 56.54 O +ATOM 292 CB TYR A 55 145.018 212.027 182.583 1.00 47.51 C +ATOM 293 CG TYR A 55 145.814 211.823 181.312 1.00 57.29 C +ATOM 294 CD1 TYR A 55 147.200 211.744 181.342 1.00 50.51 C +ATOM 295 CD2 TYR A 55 145.178 211.693 180.084 1.00 52.13 C +ATOM 296 CE1 TYR A 55 147.930 211.551 180.186 1.00 52.04 C +ATOM 297 CE2 TYR A 55 145.901 211.499 178.924 1.00 53.11 C +ATOM 298 CZ TYR A 55 147.275 211.429 178.980 1.00 58.70 C +ATOM 299 OH TYR A 55 147.996 211.237 177.827 1.00 51.54 O +ATOM 300 H TYR A 55 144.114 214.213 181.231 1.00 68.87 H +ATOM 301 HA TYR A 55 144.383 213.517 183.841 1.00 61.05 H +ATOM 302 HB2 TYR A 55 145.513 211.614 183.309 1.00 57.01 H +ATOM 303 HB3 TYR A 55 144.167 211.575 182.472 1.00 57.01 H +ATOM 304 HD1 TYR A 55 147.645 211.826 182.155 1.00 60.61 H +ATOM 305 HD2 TYR A 55 144.251 211.740 180.042 1.00 62.56 H +ATOM 306 HE1 TYR A 55 148.858 211.503 180.221 1.00 62.45 H +ATOM 307 HE2 TYR A 55 145.462 211.417 178.108 1.00 63.73 H +ATOM 308 HH TYR A 55 148.817 211.214 178.002 1.00 61.85 H +ATOM 309 N LYS A 56 146.879 214.008 183.946 1.00 67.04 N +ATOM 310 CA LYS A 56 148.167 214.663 184.098 1.00 65.39 C +ATOM 311 C LYS A 56 149.197 213.612 184.473 1.00 50.71 C +ATOM 312 O LYS A 56 148.882 212.669 185.194 1.00 63.19 O +ATOM 313 CB LYS A 56 148.097 215.756 185.167 1.00 60.41 C +ATOM 314 CG LYS A 56 148.647 217.104 184.732 1.00 66.16 C +ATOM 315 CD LYS A 56 150.152 217.069 184.541 1.00 71.41 C +ATOM 316 CE LYS A 56 150.682 218.429 184.120 1.00 79.69 C +ATOM 317 NZ LYS A 56 152.167 218.457 184.049 1.00 82.88 N +ATOM 318 H LYS A 56 146.710 213.436 184.566 1.00 80.45 H +ATOM 319 HA LYS A 56 148.428 215.068 183.256 1.00 78.47 H +ATOM 320 HB2 LYS A 56 147.169 215.884 185.418 1.00 72.49 H +ATOM 321 HB3 LYS A 56 148.607 215.466 185.939 1.00 72.49 H +ATOM 322 HG2 LYS A 56 148.240 217.356 183.888 1.00 79.40 H +ATOM 323 HG3 LYS A 56 148.444 217.765 185.412 1.00 79.40 H +ATOM 324 HD2 LYS A 56 150.577 216.821 185.377 1.00 85.69 H +ATOM 325 HD3 LYS A 56 150.373 216.427 183.847 1.00 85.69 H +ATOM 326 HE2 LYS A 56 150.334 218.647 183.241 1.00 95.63 H +ATOM 327 HE3 LYS A 56 150.398 219.094 184.766 1.00 95.63 H +ATOM 328 HZ1 LYS A 56 152.444 219.265 183.801 1.00 99.45 H +ATOM 329 HZ2 LYS A 56 152.513 218.265 184.847 1.00 99.45 H +ATOM 330 HZ3 LYS A 56 152.455 217.857 183.457 1.00 99.45 H +ATOM 331 N CYS A 57 150.417 213.764 183.971 1.00 53.57 N +ATOM 332 CA CYS A 57 151.506 212.856 184.309 1.00 51.26 C +ATOM 333 C CYS A 57 152.586 213.577 185.099 1.00 47.73 C +ATOM 334 O CYS A 57 153.145 214.573 184.644 1.00 44.02 O +ATOM 335 CB CYS A 57 152.106 212.237 183.048 1.00 48.83 C +ATOM 336 SG CYS A 57 151.009 211.057 182.233 1.00 52.05 S +ATOM 337 H CYS A 57 150.642 214.391 183.427 1.00 64.28 H +ATOM 338 HA CYS A 57 151.159 212.138 184.861 1.00 61.52 H +ATOM 339 HB2 CYS A 57 152.304 212.945 182.415 1.00 58.59 H +ATOM 340 HB3 CYS A 57 152.922 211.769 183.285 1.00 58.59 H +ATOM 341 N ASP A 58 152.859 213.066 186.294 1.00 51.05 N +ATOM 342 CA ASP A 58 153.920 213.592 187.140 1.00 48.91 C +ATOM 343 C ASP A 58 155.228 212.885 186.801 1.00 49.74 C +ATOM 344 O ASP A 58 155.409 211.712 187.126 1.00 49.42 O +ATOM 345 CB ASP A 58 153.566 213.403 188.613 1.00 44.56 C +ATOM 346 CG ASP A 58 154.517 214.127 189.540 1.00 42.79 C +ATOM 347 OD1 ASP A 58 155.528 214.679 189.059 1.00 45.60 O +ATOM 348 OD2 ASP A 58 154.252 214.139 190.758 1.00 41.33 O +ATOM 349 H ASP A 58 152.436 212.404 186.641 1.00 61.25 H +ATOM 350 HA ASP A 58 154.030 214.540 186.969 1.00 58.69 H +ATOM 351 HB2 ASP A 58 152.673 213.748 188.771 1.00 53.47 H +ATOM 352 HB3 ASP A 58 153.600 212.458 188.828 1.00 53.47 H +ATOM 353 N CYS A 59 156.130 213.607 186.145 1.00 51.72 N +ATOM 354 CA CYS A 59 157.356 213.023 185.611 1.00 54.08 C +ATOM 355 C CYS A 59 158.543 213.174 186.560 1.00 43.57 C +ATOM 356 O CYS A 59 159.679 212.893 186.186 1.00 39.75 O +ATOM 357 CB CYS A 59 157.693 213.666 184.263 1.00 59.08 C +ATOM 358 SG CYS A 59 156.506 213.308 182.949 1.00 49.82 S +ATOM 359 H CYS A 59 156.054 214.451 185.994 1.00 62.06 H +ATOM 360 HA CYS A 59 157.213 212.075 185.462 1.00 64.90 H +ATOM 361 HB2 CYS A 59 157.725 214.629 184.378 1.00 70.89 H +ATOM 362 HB3 CYS A 59 158.561 213.343 183.973 1.00 70.89 H +ATOM 363 N THR A 60 158.268 213.610 187.785 1.00 37.91 N +ATOM 364 CA THR A 60 159.309 213.891 188.770 1.00 36.11 C +ATOM 365 C THR A 60 160.290 212.733 188.959 1.00 40.17 C +ATOM 366 O THR A 60 159.901 211.622 189.316 1.00 42.19 O +ATOM 367 CB THR A 60 158.681 214.240 190.134 1.00 42.84 C +ATOM 368 OG1 THR A 60 157.851 215.399 189.990 1.00 37.94 O +ATOM 369 CG2 THR A 60 159.755 214.521 191.183 1.00 36.58 C +ATOM 370 H THR A 60 157.471 213.754 188.075 1.00 45.49 H +ATOM 371 HA THR A 60 159.817 214.662 188.473 1.00 43.33 H +ATOM 372 HB THR A 60 158.142 213.494 190.440 1.00 51.41 H +ATOM 373 HG1 THR A 60 157.240 215.247 189.434 1.00 45.53 H +ATOM 374 HG21 THR A 60 159.340 214.738 192.032 1.00 43.89 H +ATOM 375 HG22 THR A 60 160.318 213.740 191.298 1.00 43.89 H +ATOM 376 HG23 THR A 60 160.306 215.268 190.901 1.00 43.89 H +ATOM 377 N ARG A 61 161.565 213.017 188.706 1.00 41.69 N +ATOM 378 CA ARG A 61 162.664 212.076 188.924 1.00 38.86 C +ATOM 379 C ARG A 61 162.499 210.751 188.172 1.00 33.56 C +ATOM 380 O ARG A 61 163.055 209.731 188.573 1.00 42.76 O +ATOM 381 CB ARG A 61 162.828 211.807 190.423 1.00 34.10 C +ATOM 382 CG ARG A 61 163.348 213.004 191.197 1.00 39.16 C +ATOM 383 CD ARG A 61 163.608 212.666 192.654 1.00 41.55 C +ATOM 384 NE ARG A 61 162.371 212.434 193.392 1.00 40.00 N +ATOM 385 CZ ARG A 61 161.588 213.398 193.863 1.00 41.41 C +ATOM 386 NH1 ARG A 61 161.902 214.673 193.670 1.00 40.23 N +ATOM 387 NH2 ARG A 61 160.482 213.090 194.523 1.00 41.59 N +ATOM 388 H ARG A 61 161.828 213.776 188.397 1.00 50.03 H +ATOM 389 HA ARG A 61 163.485 212.486 188.611 1.00 46.63 H +ATOM 390 HB2 ARG A 61 161.965 211.564 190.794 1.00 40.93 H +ATOM 391 HB3 ARG A 61 163.456 211.078 190.544 1.00 40.93 H +ATOM 392 HG2 ARG A 61 164.182 213.302 190.801 1.00 46.99 H +ATOM 393 HG3 ARG A 61 162.689 213.715 191.164 1.00 46.99 H +ATOM 394 HD2 ARG A 61 164.145 211.860 192.703 1.00 49.86 H +ATOM 395 HD3 ARG A 61 164.076 213.405 193.073 1.00 49.86 H +ATOM 396 HE ARG A 61 162.134 211.619 193.532 1.00 48.00 H +ATOM 397 HH11 ARG A 61 162.618 214.879 193.241 1.00 48.28 H +ATOM 398 HH12 ARG A 61 161.390 215.293 193.975 1.00 48.28 H +ATOM 399 HH21 ARG A 61 160.273 212.265 194.650 1.00 49.90 H +ATOM 400 HH22 ARG A 61 159.974 213.714 194.826 1.00 49.90 H +ATOM 401 N THR A 62 161.757 210.776 187.071 1.00 36.24 N +ATOM 402 CA THR A 62 161.575 209.584 186.248 1.00 35.83 C +ATOM 403 C THR A 62 162.693 209.435 185.221 1.00 36.91 C +ATOM 404 O THR A 62 162.958 208.335 184.739 1.00 36.90 O +ATOM 405 CB THR A 62 160.232 209.610 185.499 1.00 43.75 C +ATOM 406 OG1 THR A 62 160.160 210.780 184.674 1.00 40.10 O +ATOM 407 CG2 THR A 62 159.071 209.604 186.483 1.00 53.46 C +ATOM 408 H THR A 62 161.346 211.472 186.778 1.00 43.49 H +ATOM 409 HA THR A 62 161.586 208.801 186.819 1.00 42.99 H +ATOM 410 HB THR A 62 160.162 208.820 184.941 1.00 52.51 H +ATOM 411 HG1 THR A 62 160.224 211.470 185.148 1.00 48.12 H +ATOM 412 HG21 THR A 62 158.229 209.621 186.001 1.00 64.16 H +ATOM 413 HG22 THR A 62 159.105 208.805 187.031 1.00 64.16 H +ATOM 414 HG23 THR A 62 159.120 210.383 187.058 1.00 64.16 H +ATOM 415 N GLY A 63 163.347 210.546 184.895 1.00 41.63 N +ATOM 416 CA GLY A 63 164.361 210.567 183.858 1.00 49.89 C +ATOM 417 C GLY A 63 163.766 210.931 182.510 1.00 48.06 C +ATOM 418 O GLY A 63 164.478 211.016 181.510 1.00 48.26 O +ATOM 419 H GLY A 63 163.215 211.310 185.267 1.00 49.95 H +ATOM 420 HA2 GLY A 63 165.044 211.218 184.082 1.00 59.86 H +ATOM 421 HA3 GLY A 63 164.776 209.693 183.788 1.00 59.86 H +ATOM 422 N PHE A 64 162.454 211.142 182.489 1.00 44.18 N +ATOM 423 CA PHE A 64 161.735 211.484 181.268 1.00 42.65 C +ATOM 424 C PHE A 64 160.872 212.718 181.501 1.00 53.83 C +ATOM 425 O PHE A 64 160.620 213.103 182.642 1.00 40.33 O +ATOM 426 CB PHE A 64 160.858 210.317 180.806 1.00 41.31 C +ATOM 427 CG PHE A 64 161.618 209.047 180.541 1.00 46.60 C +ATOM 428 CD1 PHE A 64 162.154 208.312 181.584 1.00 45.36 C +ATOM 429 CD2 PHE A 64 161.777 208.577 179.248 1.00 48.55 C +ATOM 430 CE1 PHE A 64 162.847 207.146 181.342 1.00 48.86 C +ATOM 431 CE2 PHE A 64 162.468 207.408 179.002 1.00 47.04 C +ATOM 432 CZ PHE A 64 163.002 206.692 180.050 1.00 47.95 C +ATOM 433 H PHE A 64 161.949 211.092 183.183 1.00 53.02 H +ATOM 434 HA PHE A 64 162.372 211.685 180.565 1.00 51.18 H +ATOM 435 HB2 PHE A 64 160.200 210.130 181.494 1.00 49.57 H +ATOM 436 HB3 PHE A 64 160.410 210.570 179.984 1.00 49.57 H +ATOM 437 HD1 PHE A 64 162.054 208.614 182.458 1.00 54.43 H +ATOM 438 HD2 PHE A 64 161.419 209.058 178.537 1.00 58.26 H +ATOM 439 HE1 PHE A 64 163.206 206.663 182.051 1.00 58.63 H +ATOM 440 HE2 PHE A 64 162.573 207.104 178.129 1.00 56.45 H +ATOM 441 HZ PHE A 64 163.468 205.904 179.885 1.00 57.55 H +ATOM 442 N TYR A 65 160.434 213.335 180.409 1.00 55.66 N +ATOM 443 CA TYR A 65 159.490 214.442 180.462 1.00 51.01 C +ATOM 444 C TYR A 65 158.520 214.317 179.294 1.00 54.08 C +ATOM 445 O TYR A 65 158.617 213.382 178.503 1.00 51.46 O +ATOM 446 CB TYR A 65 160.216 215.787 180.422 1.00 52.64 C +ATOM 447 CG TYR A 65 161.055 215.993 179.185 1.00 61.69 C +ATOM 448 CD1 TYR A 65 162.388 215.609 179.156 1.00 69.85 C +ATOM 449 CD2 TYR A 65 160.515 216.573 178.045 1.00 87.00 C +ATOM 450 CE1 TYR A 65 163.161 215.796 178.026 1.00 79.99 C +ATOM 451 CE2 TYR A 65 161.281 216.764 176.909 1.00 81.35 C +ATOM 452 CZ TYR A 65 162.603 216.374 176.905 1.00 84.04 C +ATOM 453 OH TYR A 65 163.369 216.562 175.777 1.00 71.21 O +ATOM 454 H TYR A 65 160.675 213.125 179.610 1.00 66.80 H +ATOM 455 HA TYR A 65 158.983 214.392 181.288 1.00 61.21 H +ATOM 456 HB2 TYR A 65 159.557 216.499 180.455 1.00 63.17 H +ATOM 457 HB3 TYR A 65 160.803 215.848 181.192 1.00 63.17 H +ATOM 458 HD1 TYR A 65 162.767 215.219 179.911 1.00 83.82 H +ATOM 459 HD2 TYR A 65 159.623 216.837 178.045 1.00104.40 H +ATOM 460 HE1 TYR A 65 164.053 215.533 178.021 1.00 95.99 H +ATOM 461 HE2 TYR A 65 160.906 217.153 176.153 1.00 97.62 H +ATOM 462 HH TYR A 65 162.908 216.921 175.174 1.00 85.45 H +ATOM 463 N GLY A 66 157.588 215.259 179.193 1.00 55.90 N +ATOM 464 CA GLY A 66 156.582 215.235 178.149 1.00 49.06 C +ATOM 465 C GLY A 66 155.225 214.863 178.709 1.00 52.41 C +ATOM 466 O GLY A 66 155.097 214.578 179.899 1.00 56.04 O +ATOM 467 H GLY A 66 157.520 215.930 179.727 1.00 67.07 H +ATOM 468 HA2 GLY A 66 156.519 216.110 177.734 1.00 58.87 H +ATOM 469 HA3 GLY A 66 156.828 214.586 177.471 1.00 58.87 H +ATOM 470 N GLU A 67 154.214 214.858 177.847 1.00 57.79 N +ATOM 471 CA GLU A 67 152.842 214.602 178.273 1.00 65.12 C +ATOM 472 C GLU A 67 152.701 213.240 178.944 1.00 63.29 C +ATOM 473 O GLU A 67 152.034 213.117 179.969 1.00 60.41 O +ATOM 474 CB GLU A 67 151.886 214.691 177.082 1.00 79.51 C +ATOM 475 CG GLU A 67 150.416 214.568 177.464 1.00 82.36 C +ATOM 476 CD GLU A 67 149.486 214.643 176.269 1.00 86.75 C +ATOM 477 OE1 GLU A 67 149.949 215.009 175.167 1.00 83.82 O +ATOM 478 OE2 GLU A 67 148.287 214.333 176.434 1.00 72.16 O +ATOM 479 H GLU A 67 154.296 215.002 177.003 1.00 69.35 H +ATOM 480 HA GLU A 67 152.581 215.280 178.917 1.00 78.15 H +ATOM 481 HB2 GLU A 67 152.008 215.549 176.646 1.00 95.42 H +ATOM 482 HB3 GLU A 67 152.092 213.975 176.461 1.00 95.42 H +ATOM 483 HG2 GLU A 67 150.274 213.713 177.900 1.00 98.84 H +ATOM 484 HG3 GLU A 67 150.186 215.291 178.069 1.00 98.84 H +ATOM 485 N ASN A 68 153.330 212.223 178.360 1.00 59.01 N +ATOM 486 CA ASN A 68 153.251 210.858 178.875 1.00 60.29 C +ATOM 487 C ASN A 68 154.580 210.361 179.444 1.00 45.65 C +ATOM 488 O ASN A 68 154.793 209.156 179.567 1.00 46.12 O +ATOM 489 CB ASN A 68 152.776 209.908 177.771 1.00 66.14 C +ATOM 490 CG ASN A 68 151.365 210.213 177.306 1.00 52.49 C +ATOM 491 OD1 ASN A 68 150.501 210.576 178.103 1.00 50.92 O +ATOM 492 ND2 ASN A 68 151.124 210.063 176.010 1.00 54.45 N +ATOM 493 H ASN A 68 153.816 212.300 177.655 1.00 70.81 H +ATOM 494 HA ASN A 68 152.596 210.832 179.590 1.00 72.35 H +ATOM 495 HB2 ASN A 68 153.368 209.989 177.007 1.00 79.36 H +ATOM 496 HB3 ASN A 68 152.791 208.998 178.108 1.00 79.36 H +ATOM 497 HD21 ASN A 68 150.340 210.223 175.697 1.00 65.34 H +ATOM 498 HD22 ASN A 68 151.753 209.805 175.483 1.00 65.34 H +ATOM 499 N CYS A 69 155.465 211.291 179.794 1.00 48.22 N +ATOM 500 CA CYS A 69 156.771 210.947 180.355 1.00 46.90 C +ATOM 501 C CYS A 69 157.536 210.001 179.433 1.00 45.56 C +ATOM 502 O CYS A 69 158.149 209.038 179.893 1.00 41.24 O +ATOM 503 CB CYS A 69 156.614 210.308 181.741 1.00 51.45 C +ATOM 504 SG CYS A 69 155.873 211.377 183.001 1.00 52.83 S +ATOM 505 H CYS A 69 155.332 212.137 179.715 1.00 57.86 H +ATOM 506 HA CYS A 69 157.295 211.757 180.456 1.00 56.27 H +ATOM 507 HB2 CYS A 69 156.050 209.523 181.656 1.00 61.74 H +ATOM 508 HB3 CYS A 69 157.491 210.045 182.060 1.00 61.74 H +ATOM 509 N SER A 70 157.499 210.285 178.135 1.00 52.32 N +ATOM 510 CA SER A 70 158.058 209.388 177.127 1.00 45.96 C +ATOM 511 C SER A 70 159.399 209.869 176.584 1.00 43.94 C +ATOM 512 O SER A 70 160.208 209.067 176.116 1.00 49.29 O +ATOM 513 CB SER A 70 157.070 209.223 175.973 1.00 49.89 C +ATOM 514 OG SER A 70 155.887 208.579 176.410 1.00 54.32 O +ATOM 515 H SER A 70 157.152 211.001 177.808 1.00 62.79 H +ATOM 516 HA SER A 70 158.196 208.516 177.528 1.00 55.15 H +ATOM 517 HB2 SER A 70 156.843 210.099 175.623 1.00 59.87 H +ATOM 518 HB3 SER A 70 157.483 208.686 175.278 1.00 59.87 H +ATOM 519 HG SER A 70 155.352 208.494 175.768 1.00 65.19 H +ATOM 520 N THR A 71 159.634 211.175 176.646 1.00 46.75 N +ATOM 521 CA THR A 71 160.858 211.757 176.105 1.00 47.42 C +ATOM 522 C THR A 71 161.990 211.706 177.134 1.00 47.32 C +ATOM 523 O THR A 71 161.904 212.351 178.175 1.00 53.22 O +ATOM 524 CB THR A 71 160.642 213.213 175.681 1.00 49.99 C +ATOM 525 OG1 THR A 71 159.430 213.315 174.924 1.00 51.49 O +ATOM 526 CG2 THR A 71 161.811 213.704 174.838 1.00 54.74 C +ATOM 527 H THR A 71 159.099 211.749 176.998 1.00 56.10 H +ATOM 528 HA THR A 71 161.134 211.252 175.325 1.00 56.90 H +ATOM 529 HB THR A 71 160.577 213.773 176.471 1.00 59.99 H +ATOM 530 HG1 THR A 71 159.304 214.111 174.688 1.00 61.79 H +ATOM 531 HG21 THR A 71 161.665 214.626 174.574 1.00 65.69 H +ATOM 532 HG22 THR A 71 162.634 213.648 175.348 1.00 65.69 H +ATOM 533 HG23 THR A 71 161.897 213.158 174.040 1.00 65.69 H +ATOM 534 N PRO A 72 163.065 210.948 176.845 1.00 47.41 N +ATOM 535 CA PRO A 72 164.157 210.835 177.820 1.00 46.21 C +ATOM 536 C PRO A 72 164.988 212.106 177.936 1.00 48.12 C +ATOM 537 O PRO A 72 165.149 212.829 176.955 1.00 62.30 O +ATOM 538 CB PRO A 72 165.003 209.693 177.260 1.00 49.83 C +ATOM 539 CG PRO A 72 164.783 209.762 175.798 1.00 54.39 C +ATOM 540 CD PRO A 72 163.354 210.186 175.617 1.00 50.39 C +ATOM 541 HA PRO A 72 163.813 210.589 178.693 1.00 55.46 H +ATOM 542 HB2 PRO A 72 165.937 209.838 177.476 1.00 59.80 H +ATOM 543 HB3 PRO A 72 164.692 208.846 177.617 1.00 59.80 H +ATOM 544 HG2 PRO A 72 165.384 210.416 175.410 1.00 65.26 H +ATOM 545 HG3 PRO A 72 164.931 208.887 175.406 1.00 65.26 H +ATOM 546 HD2 PRO A 72 163.267 210.757 174.837 1.00 60.47 H +ATOM 547 HD3 PRO A 72 162.776 209.410 175.556 1.00 60.47 H +ATOM 548 N GLU A 73 165.509 212.369 179.128 1.00 51.41 N +ATOM 549 CA GLU A 73 166.451 213.461 179.322 1.00 43.01 C +ATOM 550 C GLU A 73 167.797 213.058 178.730 1.00 54.88 C +ATOM 551 O GLU A 73 167.979 211.911 178.318 1.00 52.71 O +ATOM 552 CB GLU A 73 166.586 213.804 180.805 1.00 56.06 C +ATOM 553 CG GLU A 73 165.284 214.263 181.444 1.00 57.07 C +ATOM 554 CD GLU A 73 165.398 214.462 182.943 1.00 57.37 C +ATOM 555 OE1 GLU A 73 166.302 213.862 183.561 1.00 58.25 O +ATOM 556 OE2 GLU A 73 164.581 215.222 183.503 1.00 73.89 O +ATOM 557 H GLU A 73 165.332 211.927 179.845 1.00 61.70 H +ATOM 558 HA GLU A 73 166.133 214.249 178.853 1.00 51.61 H +ATOM 559 HB2 GLU A 73 166.890 213.016 181.283 1.00 67.28 H +ATOM 560 HB3 GLU A 73 167.234 214.519 180.904 1.00 67.28 H +ATOM 561 HG2 GLU A 73 165.020 215.109 181.049 1.00 68.49 H +ATOM 562 HG3 GLU A 73 164.600 213.595 181.282 1.00 68.49 H +ATOM 563 N PHE A 74 168.737 213.996 178.684 1.00 57.03 N +ATOM 564 CA PHE A 74 170.031 213.745 178.060 1.00 54.36 C +ATOM 565 C PHE A 74 170.760 212.579 178.723 1.00 53.63 C +ATOM 566 O PHE A 74 171.256 211.680 178.045 1.00 50.91 O +ATOM 567 CB PHE A 74 170.900 215.004 178.111 1.00 50.87 C +ATOM 568 CG PHE A 74 172.261 214.820 177.507 1.00 53.41 C +ATOM 569 CD1 PHE A 74 173.398 214.875 178.294 1.00 52.68 C +ATOM 570 CD2 PHE A 74 172.401 214.572 176.154 1.00 51.84 C +ATOM 571 CE1 PHE A 74 174.649 214.698 177.737 1.00 52.44 C +ATOM 572 CE2 PHE A 74 173.648 214.394 175.596 1.00 52.77 C +ATOM 573 CZ PHE A 74 174.773 214.457 176.388 1.00 52.31 C +ATOM 574 H PHE A 74 168.649 214.788 179.008 1.00 68.44 H +ATOM 575 HA PHE A 74 169.891 213.517 177.128 1.00 65.23 H +ATOM 576 HB2 PHE A 74 170.453 215.714 177.623 1.00 61.05 H +ATOM 577 HB3 PHE A 74 171.019 215.266 179.037 1.00 61.05 H +ATOM 578 HD1 PHE A 74 173.320 215.038 179.206 1.00 63.22 H +ATOM 579 HD2 PHE A 74 171.646 214.528 175.614 1.00 62.20 H +ATOM 580 HE1 PHE A 74 175.408 214.741 178.273 1.00 62.92 H +ATOM 581 HE2 PHE A 74 173.731 214.231 174.684 1.00 63.32 H +ATOM 582 HZ PHE A 74 175.615 214.338 176.012 1.00 62.77 H +ATOM 583 N LEU A 75 170.823 212.596 180.050 1.00 58.94 N +ATOM 584 CA LEU A 75 171.471 211.526 180.803 1.00 61.15 C +ATOM 585 C LEU A 75 170.779 210.186 180.591 1.00 54.47 C +ATOM 586 O LEU A 75 171.435 209.153 180.457 1.00 50.39 O +ATOM 587 CB LEU A 75 171.492 211.862 182.294 1.00 67.58 C +ATOM 588 CG LEU A 75 172.624 212.756 182.816 1.00 92.22 C +ATOM 589 CD1 LEU A 75 173.189 213.689 181.748 1.00 67.63 C +ATOM 590 CD2 LEU A 75 172.132 213.551 184.019 1.00 96.80 C +ATOM 591 H LEU A 75 170.496 213.221 180.542 1.00 70.73 H +ATOM 592 HA LEU A 75 172.389 211.440 180.503 1.00 73.38 H +ATOM 593 HB2 LEU A 75 170.658 212.309 182.511 1.00 81.10 H +ATOM 594 HB3 LEU A 75 171.541 211.028 182.787 1.00 81.10 H +ATOM 595 HG LEU A 75 173.349 212.187 183.120 1.00110.66 H +ATOM 596 HD11 LEU A 75 173.898 214.224 182.140 1.00 81.16 H +ATOM 597 HD12 LEU A 75 173.542 213.156 181.018 1.00 81.16 H +ATOM 598 HD13 LEU A 75 172.479 214.265 181.425 1.00 81.16 H +ATOM 599 HD21 LEU A 75 172.853 214.113 184.342 1.00116.15 H +ATOM 600 HD22 LEU A 75 171.380 214.101 183.747 1.00116.15 H +ATOM 601 HD23 LEU A 75 171.856 212.933 184.714 1.00116.15 H +ATOM 602 N THR A 76 169.452 210.214 180.565 1.00 44.41 N +ATOM 603 CA THR A 76 168.664 209.000 180.406 1.00 44.58 C +ATOM 604 C THR A 76 168.957 208.331 179.068 1.00 48.19 C +ATOM 605 O THR A 76 168.979 207.106 178.975 1.00 46.68 O +ATOM 606 CB THR A 76 167.160 209.298 180.512 1.00 51.16 C +ATOM 607 OG1 THR A 76 166.900 209.990 181.738 1.00 48.42 O +ATOM 608 CG2 THR A 76 166.347 208.010 180.474 1.00 42.24 C +ATOM 609 H THR A 76 168.981 210.929 180.639 1.00 53.29 H +ATOM 610 HA THR A 76 168.897 208.376 181.111 1.00 53.50 H +ATOM 611 HB THR A 76 166.888 209.853 179.765 1.00 61.40 H +ATOM 612 HG1 THR A 76 166.079 210.157 181.805 1.00 58.11 H +ATOM 613 HG21 THR A 76 165.401 208.214 180.542 1.00 50.69 H +ATOM 614 HG22 THR A 76 166.509 207.540 179.642 1.00 50.69 H +ATOM 615 HG23 THR A 76 166.599 207.437 181.215 1.00 50.69 H +ATOM 616 N ARG A 77 169.180 209.141 178.036 1.00 57.15 N +ATOM 617 CA ARG A 77 169.543 208.627 176.719 1.00 48.57 C +ATOM 618 C ARG A 77 170.836 207.834 176.773 1.00 47.11 C +ATOM 619 O ARG A 77 170.945 206.768 176.171 1.00 53.07 O +ATOM 620 CB ARG A 77 169.689 209.768 175.713 1.00 50.44 C +ATOM 621 CG ARG A 77 168.394 210.145 175.039 1.00 75.37 C +ATOM 622 CD ARG A 77 168.600 211.178 173.949 1.00 52.40 C +ATOM 623 NE ARG A 77 167.316 211.669 173.463 1.00 51.83 N +ATOM 624 CZ ARG A 77 166.484 210.960 172.709 1.00 52.54 C +ATOM 625 NH1 ARG A 77 166.799 209.722 172.346 1.00 53.03 N +ATOM 626 NH2 ARG A 77 165.333 211.487 172.318 1.00 53.28 N +ATOM 627 H ARG A 77 169.126 209.998 178.074 1.00 68.58 H +ATOM 628 HA ARG A 77 168.840 208.036 176.405 1.00 58.29 H +ATOM 629 HB2 ARG A 77 170.023 210.552 176.175 1.00 60.53 H +ATOM 630 HB3 ARG A 77 170.316 209.499 175.024 1.00 60.53 H +ATOM 631 HG2 ARG A 77 168.003 209.355 174.636 1.00 90.44 H +ATOM 632 HG3 ARG A 77 167.789 210.518 175.698 1.00 90.44 H +ATOM 633 HD2 ARG A 77 169.101 211.929 174.305 1.00 62.88 H +ATOM 634 HD3 ARG A 77 169.075 210.775 173.206 1.00 62.88 H +ATOM 635 HE ARG A 77 167.102 212.482 173.643 1.00 62.19 H +ATOM 636 HH11 ARG A 77 167.544 209.377 172.600 1.00 63.64 H +ATOM 637 HH12 ARG A 77 166.258 209.267 171.857 1.00 63.64 H +ATOM 638 HH21 ARG A 77 165.127 212.289 172.550 1.00 63.93 H +ATOM 639 HH22 ARG A 77 164.795 211.029 171.827 1.00 63.93 H +ATOM 640 N ILE A 78 171.816 208.367 177.493 1.00 51.13 N +ATOM 641 CA ILE A 78 173.115 207.724 177.607 1.00 51.53 C +ATOM 642 C ILE A 78 172.993 206.404 178.357 1.00 57.16 C +ATOM 643 O ILE A 78 173.480 205.377 177.889 1.00 61.13 O +ATOM 644 CB ILE A 78 174.133 208.639 178.315 1.00 52.29 C +ATOM 645 CG1 ILE A 78 174.372 209.891 177.463 1.00 55.37 C +ATOM 646 CG2 ILE A 78 175.448 207.896 178.562 1.00 52.27 C +ATOM 647 CD1 ILE A 78 175.328 210.900 178.067 1.00 55.82 C +ATOM 648 H ILE A 78 171.751 209.106 177.928 1.00 61.35 H +ATOM 649 HA ILE A 78 173.452 207.533 176.718 1.00 61.84 H +ATOM 650 HB ILE A 78 173.764 208.911 179.170 1.00 62.75 H +ATOM 651 HG12 ILE A 78 174.737 209.617 176.607 1.00 66.44 H +ATOM 652 HG13 ILE A 78 173.522 210.338 177.326 1.00 66.44 H +ATOM 653 HG21 ILE A 78 176.069 208.494 179.007 1.00 62.73 H +ATOM 654 HG22 ILE A 78 175.273 207.123 179.121 1.00 62.73 H +ATOM 655 HG23 ILE A 78 175.814 207.612 177.710 1.00 62.73 H +ATOM 656 HD11 ILE A 78 175.416 211.652 177.461 1.00 66.98 H +ATOM 657 HD12 ILE A 78 174.973 211.200 178.918 1.00 66.98 H +ATOM 658 HD13 ILE A 78 176.191 210.477 178.198 1.00 66.98 H +ATOM 659 N LYS A 79 172.345 206.437 179.517 1.00 53.60 N +ATOM 660 CA LYS A 79 172.129 205.230 180.311 1.00 50.66 C +ATOM 661 C LYS A 79 171.408 204.163 179.495 1.00 58.54 C +ATOM 662 O LYS A 79 171.841 203.012 179.442 1.00 61.60 O +ATOM 663 CB LYS A 79 171.325 205.552 181.571 1.00 51.27 C +ATOM 664 CG LYS A 79 172.073 206.393 182.591 1.00 52.30 C +ATOM 665 CD LYS A 79 171.121 207.051 183.579 1.00 60.94 C +ATOM 666 CE LYS A 79 170.269 206.031 184.320 1.00 62.29 C +ATOM 667 NZ LYS A 79 169.370 206.682 185.313 1.00 67.27 N +ATOM 668 H LYS A 79 172.018 207.150 179.870 1.00 64.32 H +ATOM 669 HA LYS A 79 172.988 204.872 180.584 1.00 60.79 H +ATOM 670 HB2 LYS A 79 170.527 206.041 181.315 1.00 61.52 H +ATOM 671 HB3 LYS A 79 171.075 204.720 182.002 1.00 61.52 H +ATOM 672 HG2 LYS A 79 172.682 205.826 183.089 1.00 62.75 H +ATOM 673 HG3 LYS A 79 172.564 207.092 182.132 1.00 62.75 H +ATOM 674 HD2 LYS A 79 171.635 207.548 184.235 1.00 73.12 H +ATOM 675 HD3 LYS A 79 170.526 207.649 183.099 1.00 73.12 H +ATOM 676 HE2 LYS A 79 169.718 205.550 183.682 1.00 74.75 H +ATOM 677 HE3 LYS A 79 170.849 205.414 184.794 1.00 74.75 H +ATOM 678 HZ1 LYS A 79 168.884 206.066 185.733 1.00 80.73 H +ATOM 679 HZ2 LYS A 79 169.853 207.127 185.914 1.00 80.73 H +ATOM 680 HZ3 LYS A 79 168.824 207.251 184.902 1.00 80.73 H +ATOM 681 N LEU A 80 170.310 204.558 178.859 1.00 59.19 N +ATOM 682 CA LEU A 80 169.516 203.646 178.041 1.00 56.18 C +ATOM 683 C LEU A 80 170.346 202.993 176.945 1.00 64.24 C +ATOM 684 O LEU A 80 170.124 201.836 176.589 1.00 67.04 O +ATOM 685 CB LEU A 80 168.337 204.389 177.412 1.00 50.09 C +ATOM 686 CG LEU A 80 167.026 204.372 178.199 1.00 61.78 C +ATOM 687 CD1 LEU A 80 166.053 205.392 177.632 1.00 59.07 C +ATOM 688 CD2 LEU A 80 166.411 202.978 178.176 1.00 64.73 C +ATOM 689 H LEU A 80 169.999 205.360 178.885 1.00 71.02 H +ATOM 690 HA LEU A 80 169.161 202.943 178.607 1.00 67.42 H +ATOM 691 HB2 LEU A 80 168.591 205.318 177.296 1.00 60.10 H +ATOM 692 HB3 LEU A 80 168.157 203.995 176.544 1.00 60.10 H +ATOM 693 HG LEU A 80 167.206 204.607 179.123 1.00 74.14 H +ATOM 694 HD11 LEU A 80 165.230 205.363 178.145 1.00 70.89 H +ATOM 695 HD12 LEU A 80 166.450 206.274 177.693 1.00 70.89 H +ATOM 696 HD13 LEU A 80 165.872 205.173 176.704 1.00 70.89 H +ATOM 697 HD21 LEU A 80 165.582 202.990 178.679 1.00 77.67 H +ATOM 698 HD22 LEU A 80 166.236 202.726 177.255 1.00 77.67 H +ATOM 699 HD23 LEU A 80 167.034 202.352 178.577 1.00 77.67 H +ATOM 700 N PHE A 81 171.303 203.743 176.413 1.00 73.44 N +ATOM 701 CA PHE A 81 172.111 203.277 175.296 1.00 68.29 C +ATOM 702 C PHE A 81 173.206 202.316 175.749 1.00 61.87 C +ATOM 703 O PHE A 81 173.634 201.452 174.987 1.00 73.78 O +ATOM 704 CB PHE A 81 172.727 204.469 174.563 1.00 75.38 C +ATOM 705 CG PHE A 81 173.652 204.081 173.449 1.00 88.01 C +ATOM 706 CD1 PHE A 81 173.150 203.672 172.225 1.00 74.21 C +ATOM 707 CD2 PHE A 81 175.025 204.124 173.624 1.00 79.02 C +ATOM 708 CE1 PHE A 81 174.000 203.314 171.198 1.00 73.75 C +ATOM 709 CE2 PHE A 81 175.878 203.768 172.600 1.00 68.53 C +ATOM 710 CZ PHE A 81 175.366 203.362 171.386 1.00 68.23 C +ATOM 711 H PHE A 81 171.505 204.534 176.684 1.00 88.13 H +ATOM 712 HA PHE A 81 171.540 202.804 174.671 1.00 81.95 H +ATOM 713 HB2 PHE A 81 172.013 205.005 174.183 1.00 90.46 H +ATOM 714 HB3 PHE A 81 173.233 204.999 175.199 1.00 90.46 H +ATOM 715 HD1 PHE A 81 172.230 203.638 172.094 1.00 89.05 H +ATOM 716 HD2 PHE A 81 175.376 204.397 174.440 1.00 94.82 H +ATOM 717 HE1 PHE A 81 173.652 203.040 170.380 1.00 88.50 H +ATOM 718 HE2 PHE A 81 176.799 203.801 172.728 1.00 82.23 H +ATOM 719 HZ PHE A 81 175.940 203.121 170.695 1.00 81.87 H +ATOM 720 N LEU A 82 173.654 202.466 176.992 1.00 66.30 N +ATOM 721 CA LEU A 82 174.726 201.633 177.530 1.00 69.00 C +ATOM 722 C LEU A 82 174.189 200.454 178.338 1.00 74.19 C +ATOM 723 O LEU A 82 174.930 199.517 178.636 1.00 72.71 O +ATOM 724 CB LEU A 82 175.663 202.474 178.401 1.00 63.95 C +ATOM 725 CG LEU A 82 176.335 203.666 177.708 1.00 63.08 C +ATOM 726 CD1 LEU A 82 177.295 204.362 178.660 1.00 60.99 C +ATOM 727 CD2 LEU A 82 177.056 203.240 176.434 1.00 65.20 C +ATOM 728 H LEU A 82 173.351 203.047 177.548 1.00 79.55 H +ATOM 729 HA LEU A 82 175.245 201.276 176.793 1.00 82.81 H +ATOM 730 HB2 LEU A 82 175.153 202.824 179.148 1.00 76.74 H +ATOM 731 HB3 LEU A 82 176.369 201.898 178.734 1.00 76.74 H +ATOM 732 HG LEU A 82 175.650 204.307 177.458 1.00 75.69 H +ATOM 733 HD11 LEU A 82 177.707 205.110 178.201 1.00 73.19 H +ATOM 734 HD12 LEU A 82 176.800 204.678 179.432 1.00 73.19 H +ATOM 735 HD13 LEU A 82 177.975 203.729 178.939 1.00 73.19 H +ATOM 736 HD21 LEU A 82 177.466 204.019 176.028 1.00 78.24 H +ATOM 737 HD22 LEU A 82 177.738 202.588 176.661 1.00 78.24 H +ATOM 738 HD23 LEU A 82 176.413 202.847 175.823 1.00 78.24 H +ATOM 739 N LYS A 83 172.908 200.498 178.684 1.00 91.81 N +ATOM 740 CA LYS A 83 172.299 199.434 179.475 1.00 72.52 C +ATOM 741 C LYS A 83 172.119 198.162 178.641 1.00 66.02 C +ATOM 742 O LYS A 83 171.475 198.199 177.595 1.00 57.04 O +ATOM 743 CB LYS A 83 170.947 199.885 180.028 1.00 82.03 C +ATOM 744 CG LYS A 83 170.305 198.875 180.971 1.00 68.62 C +ATOM 745 CD LYS A 83 169.108 199.468 181.695 1.00 72.25 C +ATOM 746 CE LYS A 83 168.536 198.491 182.711 1.00 74.56 C +ATOM 747 NZ LYS A 83 167.614 197.501 182.090 1.00 74.81 N +ATOM 748 H LYS A 83 172.368 201.133 178.474 1.00110.17 H +ATOM 749 HA LYS A 83 172.877 199.224 180.224 1.00 87.02 H +ATOM 750 HB2 LYS A 83 171.070 200.713 180.519 1.00 98.44 H +ATOM 751 HB3 LYS A 83 170.337 200.029 179.287 1.00 98.44 H +ATOM 752 HG2 LYS A 83 170.001 198.108 180.460 1.00 82.34 H +ATOM 753 HG3 LYS A 83 170.955 198.598 181.635 1.00 82.34 H +ATOM 754 HD2 LYS A 83 169.383 200.271 182.166 1.00 86.70 H +ATOM 755 HD3 LYS A 83 168.414 199.678 181.050 1.00 86.70 H +ATOM 756 HE2 LYS A 83 169.264 198.005 183.128 1.00 89.48 H +ATOM 757 HE3 LYS A 83 168.039 198.986 183.382 1.00 89.48 H +ATOM 758 HZ1 LYS A 83 167.299 196.947 182.711 1.00 89.77 H +ATOM 759 HZ2 LYS A 83 166.931 197.921 181.704 1.00 89.77 H +ATOM 760 HZ3 LYS A 83 168.048 197.027 181.473 1.00 89.77 H +ATOM 761 N PRO A 84 172.680 197.025 179.098 1.00 64.23 N +ATOM 762 CA PRO A 84 172.465 195.774 178.361 1.00 61.53 C +ATOM 763 C PRO A 84 171.138 195.114 178.719 1.00 63.79 C +ATOM 764 O PRO A 84 170.638 195.317 179.825 1.00 68.08 O +ATOM 765 CB PRO A 84 173.647 194.896 178.800 1.00 58.92 C +ATOM 766 CG PRO A 84 174.346 195.648 179.917 1.00 53.36 C +ATOM 767 CD PRO A 84 173.493 196.803 180.303 1.00 52.37 C +ATOM 768 HA PRO A 84 172.509 195.928 177.405 1.00 73.84 H +ATOM 769 HB2 PRO A 84 173.315 194.043 179.120 1.00 70.70 H +ATOM 770 HB3 PRO A 84 174.249 194.766 178.050 1.00 70.70 H +ATOM 771 HG2 PRO A 84 174.466 195.053 180.674 1.00 64.03 H +ATOM 772 HG3 PRO A 84 175.208 195.961 179.599 1.00 64.03 H +ATOM 773 HD2 PRO A 84 172.928 196.571 181.056 1.00 62.84 H +ATOM 774 HD3 PRO A 84 174.040 197.581 180.492 1.00 62.84 H +ATOM 775 N THR A 85 170.577 194.337 177.798 1.00 63.01 N +ATOM 776 CA THR A 85 169.320 193.645 178.060 1.00 74.43 C +ATOM 777 C THR A 85 169.520 192.583 179.144 1.00 83.18 C +ATOM 778 O THR A 85 170.582 191.970 179.218 1.00 70.33 O +ATOM 779 CB THR A 85 168.760 192.971 176.791 1.00 83.79 C +ATOM 780 OG1 THR A 85 169.708 192.021 176.284 1.00 71.32 O +ATOM 781 CG2 THR A 85 168.461 194.003 175.719 1.00 67.54 C +ATOM 782 H THR A 85 170.904 194.195 177.016 1.00 75.61 H +ATOM 783 HA THR A 85 168.664 194.284 178.378 1.00 89.32 H +ATOM 784 HB THR A 85 167.934 192.512 177.010 1.00100.54 H +ATOM 785 HG1 THR A 85 169.404 191.653 175.592 1.00 85.59 H +ATOM 786 HG21 THR A 85 168.110 193.567 174.927 1.00 81.05 H +ATOM 787 HG22 THR A 85 167.805 194.639 176.045 1.00 81.05 H +ATOM 788 HG23 THR A 85 169.272 194.481 175.482 1.00 81.05 H +ATOM 789 N PRO A 86 168.504 192.369 180.000 1.00 92.65 N +ATOM 790 CA PRO A 86 168.601 191.332 181.036 1.00 74.31 C +ATOM 791 C PRO A 86 168.987 189.964 180.478 1.00 69.66 C +ATOM 792 O PRO A 86 169.737 189.231 181.123 1.00 63.56 O +ATOM 793 CB PRO A 86 167.192 191.305 181.628 1.00 74.58 C +ATOM 794 CG PRO A 86 166.688 192.684 181.430 1.00 85.21 C +ATOM 795 CD PRO A 86 167.257 193.145 180.122 1.00 95.36 C +ATOM 796 HA PRO A 86 169.235 191.595 181.721 1.00 89.17 H +ATOM 797 HB2 PRO A 86 166.645 190.664 181.146 1.00 89.50 H +ATOM 798 HB3 PRO A 86 167.235 191.084 182.571 1.00 89.50 H +ATOM 799 HG2 PRO A 86 165.718 192.674 181.396 1.00102.25 H +ATOM 800 HG3 PRO A 86 166.998 193.250 182.155 1.00102.25 H +ATOM 801 HD2 PRO A 86 166.652 192.930 179.395 1.00114.43 H +ATOM 802 HD3 PRO A 86 167.451 194.095 180.153 1.00114.43 H +ATOM 803 N ASN A 87 168.478 189.631 179.295 1.00 73.59 N +ATOM 804 CA ASN A 87 168.826 188.378 178.635 1.00 69.63 C +ATOM 805 C ASN A 87 170.318 188.297 178.340 1.00 67.51 C +ATOM 806 O ASN A 87 170.908 187.217 178.385 1.00 63.37 O +ATOM 807 CB ASN A 87 168.028 188.219 177.341 1.00 64.02 C +ATOM 808 CG ASN A 87 166.572 187.881 177.592 1.00 63.32 C +ATOM 809 OD1 ASN A 87 166.125 187.820 178.737 1.00 71.55 O +ATOM 810 ND2 ASN A 87 165.823 187.665 176.519 1.00 91.40 N +ATOM 811 H ASN A 87 167.925 190.118 178.852 1.00 88.30 H +ATOM 812 HA ASN A 87 168.596 187.640 179.220 1.00 83.55 H +ATOM 813 HB2 ASN A 87 168.062 189.052 176.844 1.00 76.83 H +ATOM 814 HB3 ASN A 87 168.417 187.503 176.815 1.00 76.83 H +ATOM 815 HD21 ASN A 87 164.990 187.470 176.608 1.00109.68 H +ATOM 816 HD22 ASN A 87 166.169 187.721 175.734 1.00109.68 H +ATOM 817 N THR A 88 170.922 189.441 178.037 1.00 74.55 N +ATOM 818 CA THR A 88 172.361 189.512 177.804 1.00 69.65 C +ATOM 819 C THR A 88 173.104 189.314 179.118 1.00 59.89 C +ATOM 820 O THR A 88 174.040 188.519 179.199 1.00 57.17 O +ATOM 821 CB THR A 88 172.769 190.863 177.169 1.00 67.93 C +ATOM 822 OG1 THR A 88 172.276 190.928 175.825 1.00 61.79 O +ATOM 823 CG2 THR A 88 174.286 191.034 177.155 1.00 61.29 C +ATOM 824 H THR A 88 170.518 190.196 177.960 1.00 89.46 H +ATOM 825 HA THR A 88 172.621 188.801 177.198 1.00 83.58 H +ATOM 826 HB THR A 88 172.386 191.589 177.686 1.00 81.52 H +ATOM 827 HG1 THR A 88 171.439 190.864 175.823 1.00 74.15 H +ATOM 828 HG21 THR A 88 174.520 191.885 176.754 1.00 73.55 H +ATOM 829 HG22 THR A 88 174.630 191.007 178.062 1.00 73.55 H +ATOM 830 HG23 THR A 88 174.695 190.320 176.642 1.00 73.55 H +ATOM 831 N VAL A 89 172.679 190.048 180.142 1.00 62.62 N +ATOM 832 CA VAL A 89 173.248 189.918 181.478 1.00 60.43 C +ATOM 833 C VAL A 89 173.154 188.478 181.968 1.00 53.50 C +ATOM 834 O VAL A 89 174.094 187.950 182.562 1.00 39.24 O +ATOM 835 CB VAL A 89 172.533 190.845 182.486 1.00 57.02 C +ATOM 836 CG1 VAL A 89 173.075 190.642 183.897 1.00 63.54 C +ATOM 837 CG2 VAL A 89 172.683 192.295 182.066 1.00 57.68 C +ATOM 838 H VAL A 89 172.053 190.635 180.088 1.00 75.14 H +ATOM 839 HA VAL A 89 174.185 190.167 181.450 1.00 72.51 H +ATOM 840 HB VAL A 89 171.587 190.632 182.494 1.00 68.43 H +ATOM 841 HG11 VAL A 89 172.607 191.237 184.503 1.00 76.24 H +ATOM 842 HG12 VAL A 89 172.931 189.720 184.160 1.00 76.24 H +ATOM 843 HG13 VAL A 89 174.024 190.844 183.902 1.00 76.24 H +ATOM 844 HG21 VAL A 89 172.227 192.858 182.712 1.00 69.21 H +ATOM 845 HG22 VAL A 89 173.626 192.520 182.038 1.00 69.21 H +ATOM 846 HG23 VAL A 89 172.288 192.412 181.188 1.00 69.21 H +ATOM 847 N HIS A 90 172.012 187.848 181.717 1.00 53.65 N +ATOM 848 CA HIS A 90 171.790 186.478 182.156 1.00 52.21 C +ATOM 849 C HIS A 90 172.701 185.507 181.415 1.00 51.91 C +ATOM 850 O HIS A 90 173.205 184.552 182.004 1.00 45.49 O +ATOM 851 CB HIS A 90 170.329 186.076 181.955 1.00 54.52 C +ATOM 852 CG HIS A 90 170.019 184.689 182.425 1.00 59.41 C +ATOM 853 ND1 HIS A 90 170.121 183.585 181.607 1.00 58.13 N +ATOM 854 CD2 HIS A 90 169.620 184.226 183.633 1.00 55.60 C +ATOM 855 CE1 HIS A 90 169.792 182.502 182.289 1.00 54.72 C +ATOM 856 NE2 HIS A 90 169.483 182.864 183.521 1.00 63.79 N +ATOM 857 H HIS A 90 171.348 188.195 181.294 1.00 64.37 H +ATOM 858 HA HIS A 90 171.990 186.413 183.103 1.00 62.65 H +ATOM 859 HB2 HIS A 90 169.764 186.690 182.448 1.00 65.42 H +ATOM 860 HB3 HIS A 90 170.119 186.123 181.009 1.00 65.42 H +ATOM 861 HD2 HIS A 90 169.463 184.736 184.395 1.00 66.72 H +ATOM 862 HE1 HIS A 90 169.780 181.633 181.958 1.00 65.66 H +ATOM 863 HE2 HIS A 90 169.237 182.333 184.151 1.00 76.55 H +ATOM 864 N TYR A 91 172.904 185.749 180.124 1.00 58.15 N +ATOM 865 CA TYR A 91 173.809 184.927 179.329 1.00 50.08 C +ATOM 866 C TYR A 91 175.216 185.000 179.901 1.00 48.84 C +ATOM 867 O TYR A 91 175.882 183.982 180.083 1.00 52.02 O +ATOM 868 CB TYR A 91 173.819 185.378 177.867 1.00 57.96 C +ATOM 869 CG TYR A 91 174.803 184.613 177.008 1.00 63.50 C +ATOM 870 CD1 TYR A 91 174.402 183.500 176.283 1.00 59.10 C +ATOM 871 CD2 TYR A 91 176.136 184.999 176.931 1.00 56.74 C +ATOM 872 CE1 TYR A 91 175.298 182.795 175.504 1.00 63.32 C +ATOM 873 CE2 TYR A 91 177.039 184.299 176.155 1.00 54.64 C +ATOM 874 CZ TYR A 91 176.614 183.198 175.443 1.00 64.95 C +ATOM 875 OH TYR A 91 177.509 182.498 174.667 1.00 73.46 O +ATOM 876 H TYR A 91 172.527 186.385 179.683 1.00 69.78 H +ATOM 877 HA TYR A 91 173.515 184.004 179.361 1.00 60.09 H +ATOM 878 HB2 TYR A 91 172.933 185.248 177.493 1.00 69.56 H +ATOM 879 HB3 TYR A 91 174.058 186.317 177.830 1.00 69.56 H +ATOM 880 HD1 TYR A 91 173.515 183.224 176.323 1.00 70.91 H +ATOM 881 HD2 TYR A 91 176.425 185.741 177.412 1.00 68.08 H +ATOM 882 HE1 TYR A 91 175.014 182.051 175.022 1.00 75.98 H +ATOM 883 HE2 TYR A 91 177.927 184.570 176.112 1.00 65.57 H +ATOM 884 HH TYR A 91 178.271 182.848 174.719 1.00 88.15 H +ATOM 885 N ILE A 92 175.659 186.221 180.177 1.00 42.34 N +ATOM 886 CA ILE A 92 176.994 186.468 180.701 1.00 42.52 C +ATOM 887 C ILE A 92 177.194 185.797 182.057 1.00 48.11 C +ATOM 888 O ILE A 92 178.249 185.223 182.326 1.00 42.74 O +ATOM 889 CB ILE A 92 177.253 187.984 180.820 1.00 44.98 C +ATOM 890 CG1 ILE A 92 177.385 188.595 179.423 1.00 44.09 C +ATOM 891 CG2 ILE A 92 178.513 188.275 181.639 1.00 41.59 C +ATOM 892 CD1 ILE A 92 177.160 190.085 179.381 1.00 45.67 C +ATOM 893 H ILE A 92 175.195 186.936 180.065 1.00 50.81 H +ATOM 894 HA ILE A 92 177.647 186.099 180.086 1.00 51.02 H +ATOM 895 HB ILE A 92 176.494 188.392 181.265 1.00 53.98 H +ATOM 896 HG12 ILE A 92 178.279 188.422 179.090 1.00 52.90 H +ATOM 897 HG13 ILE A 92 176.731 188.181 178.838 1.00 52.90 H +ATOM 898 HG21 ILE A 92 178.641 189.236 181.691 1.00 49.91 H +ATOM 899 HG22 ILE A 92 178.402 187.908 182.530 1.00 49.91 H +ATOM 900 HG23 ILE A 92 179.275 187.863 181.203 1.00 49.91 H +ATOM 901 HD11 ILE A 92 177.261 190.394 178.467 1.00 54.81 H +ATOM 902 HD12 ILE A 92 176.264 190.278 179.699 1.00 54.81 H +ATOM 903 HD13 ILE A 92 177.814 190.519 179.951 1.00 54.81 H +ATOM 904 N LEU A 93 176.175 185.872 182.906 1.00 50.07 N +ATOM 905 CA LEU A 93 176.267 185.332 184.258 1.00 45.84 C +ATOM 906 C LEU A 93 176.161 183.810 184.281 1.00 45.90 C +ATOM 907 O LEU A 93 176.622 183.169 185.224 1.00 45.29 O +ATOM 908 CB LEU A 93 175.182 185.945 185.147 1.00 49.21 C +ATOM 909 CG LEU A 93 175.511 187.326 185.718 1.00 41.62 C +ATOM 910 CD1 LEU A 93 174.256 188.025 186.200 1.00 50.52 C +ATOM 911 CD2 LEU A 93 176.513 187.202 186.852 1.00 36.82 C +ATOM 912 H LEU A 93 175.416 186.232 182.723 1.00 60.08 H +ATOM 913 HA LEU A 93 177.129 185.574 184.632 1.00 55.01 H +ATOM 914 HB2 LEU A 93 174.369 186.032 184.624 1.00 59.05 H +ATOM 915 HB3 LEU A 93 175.025 185.349 185.896 1.00 59.05 H +ATOM 916 HG LEU A 93 175.911 187.870 185.022 1.00 49.95 H +ATOM 917 HD11 LEU A 93 174.497 188.895 186.555 1.00 60.62 H +ATOM 918 HD12 LEU A 93 173.647 188.130 185.452 1.00 60.62 H +ATOM 919 HD13 LEU A 93 173.841 187.487 186.892 1.00 60.62 H +ATOM 920 HD21 LEU A 93 176.707 188.087 187.199 1.00 44.19 H +ATOM 921 HD22 LEU A 93 176.131 186.649 187.551 1.00 44.19 H +ATOM 922 HD23 LEU A 93 177.325 186.794 186.512 1.00 44.19 H +ATOM 923 N THR A 94 175.561 183.234 183.243 1.00 43.78 N +ATOM 924 CA THR A 94 175.367 181.787 183.171 1.00 45.27 C +ATOM 925 C THR A 94 176.345 181.126 182.198 1.00 49.10 C +ATOM 926 O THR A 94 176.210 179.946 181.877 1.00 43.63 O +ATOM 927 CB THR A 94 173.928 181.441 182.755 1.00 49.21 C +ATOM 928 OG1 THR A 94 173.628 182.050 181.493 1.00 49.14 O +ATOM 929 CG2 THR A 94 172.938 181.932 183.808 1.00 44.98 C +ATOM 930 H THR A 94 175.255 183.662 182.563 1.00 52.53 H +ATOM 931 HA THR A 94 175.521 181.407 184.050 1.00 54.32 H +ATOM 932 HB THR A 94 173.839 180.478 182.676 1.00 59.05 H +ATOM 933 HG1 THR A 94 173.703 182.885 181.552 1.00 58.97 H +ATOM 934 HG21 THR A 94 172.033 181.710 183.540 1.00 53.98 H +ATOM 935 HG22 THR A 94 173.126 181.511 184.661 1.00 53.98 H +ATOM 936 HG23 THR A 94 173.011 182.894 183.908 1.00 53.98 H +ATOM 937 N HIS A 95 177.329 181.893 181.737 1.00 50.86 N +ATOM 938 CA HIS A 95 178.393 181.373 180.882 1.00 57.19 C +ATOM 939 C HIS A 95 179.754 181.787 181.427 1.00 55.31 C +ATOM 940 O HIS A 95 179.837 182.455 182.455 1.00 54.15 O +ATOM 941 CB HIS A 95 178.228 181.872 179.444 1.00 61.33 C +ATOM 942 CG HIS A 95 177.075 181.253 178.718 1.00 57.74 C +ATOM 943 ND1 HIS A 95 175.762 181.531 179.029 1.00 61.10 N +ATOM 944 CD2 HIS A 95 177.040 180.367 177.696 1.00 56.60 C +ATOM 945 CE1 HIS A 95 174.967 180.844 178.228 1.00 66.31 C +ATOM 946 NE2 HIS A 95 175.718 180.130 177.409 1.00 73.83 N +ATOM 947 H HIS A 95 177.404 182.733 181.908 1.00 61.03 H +ATOM 948 HA HIS A 95 178.351 180.404 180.873 1.00 68.62 H +ATOM 949 HB2 HIS A 95 178.088 182.831 179.460 1.00 73.60 H +ATOM 950 HB3 HIS A 95 179.036 181.666 178.948 1.00 73.60 H +ATOM 951 HD1 HIS A 95 175.500 182.069 179.647 1.00 73.32 H +ATOM 952 HD2 HIS A 95 177.774 179.990 177.266 1.00 67.92 H +ATOM 953 HE1 HIS A 95 174.037 180.860 178.239 1.00 79.58 H +ATOM 954 N PHE A 96 180.814 181.381 180.733 1.00 51.31 N +ATOM 955 CA PHE A 96 182.180 181.748 181.102 1.00 54.78 C +ATOM 956 C PHE A 96 182.523 181.261 182.507 1.00 45.71 C +ATOM 957 O PHE A 96 182.929 182.041 183.367 1.00 48.61 O +ATOM 958 CB PHE A 96 182.369 183.264 181.006 1.00 50.44 C +ATOM 959 CG PHE A 96 181.826 183.860 179.740 1.00 59.99 C +ATOM 960 CD1 PHE A 96 182.442 183.618 178.524 1.00 64.21 C +ATOM 961 CD2 PHE A 96 180.700 184.664 179.766 1.00 56.88 C +ATOM 962 CE1 PHE A 96 181.943 184.165 177.357 1.00 56.67 C +ATOM 963 CE2 PHE A 96 180.197 185.214 178.604 1.00 53.87 C +ATOM 964 CZ PHE A 96 180.821 184.964 177.396 1.00 55.38 C +ATOM 965 H PHE A 96 180.767 180.885 180.032 1.00 61.58 H +ATOM 966 HA PHE A 96 182.797 181.330 180.481 1.00 65.74 H +ATOM 967 HB2 PHE A 96 181.912 183.684 181.751 1.00 60.52 H +ATOM 968 HB3 PHE A 96 183.317 183.464 181.045 1.00 60.52 H +ATOM 969 HD1 PHE A 96 183.199 183.079 178.491 1.00 77.06 H +ATOM 970 HD2 PHE A 96 180.276 184.835 180.576 1.00 68.26 H +ATOM 971 HE1 PHE A 96 182.365 183.995 176.545 1.00 68.00 H +ATOM 972 HE2 PHE A 96 179.440 185.752 178.634 1.00 64.65 H +ATOM 973 HZ PHE A 96 180.483 185.333 176.613 1.00 66.46 H +ATOM 974 N LYS A 97 182.367 179.959 182.721 1.00 43.28 N +ATOM 975 CA LYS A 97 182.521 179.361 184.043 1.00 42.72 C +ATOM 976 C LYS A 97 183.916 179.570 184.631 1.00 45.57 C +ATOM 977 O LYS A 97 184.060 179.807 185.830 1.00 51.15 O +ATOM 978 CB LYS A 97 182.210 177.866 183.970 1.00 47.50 C +ATOM 979 CG LYS A 97 182.111 177.186 185.320 1.00 56.77 C +ATOM 980 CD LYS A 97 181.867 175.696 185.163 1.00 68.14 C +ATOM 981 CE LYS A 97 181.747 175.006 186.511 1.00 91.82 C +ATOM 982 NZ LYS A 97 182.965 175.196 187.349 1.00 87.87 N +ATOM 983 H LYS A 97 182.168 179.391 182.107 1.00 51.94 H +ATOM 984 HA LYS A 97 181.880 179.769 184.647 1.00 51.26 H +ATOM 985 HB2 LYS A 97 181.361 177.746 183.516 1.00 57.00 H +ATOM 986 HB3 LYS A 97 182.915 177.425 183.469 1.00 57.00 H +ATOM 987 HG2 LYS A 97 182.942 177.309 185.804 1.00 68.12 H +ATOM 988 HG3 LYS A 97 181.370 177.566 185.818 1.00 68.12 H +ATOM 989 HD2 LYS A 97 181.039 175.556 184.676 1.00 81.76 H +ATOM 990 HD3 LYS A 97 182.610 175.298 184.683 1.00 81.76 H +ATOM 991 HE2 LYS A 97 180.990 175.375 186.991 1.00110.19 H +ATOM 992 HE3 LYS A 97 181.623 174.054 186.372 1.00110.19 H +ATOM 993 HZ1 LYS A 97 182.864 174.781 188.130 1.00105.44 H +ATOM 994 HZ2 LYS A 97 183.676 174.859 186.932 1.00105.44 H +ATOM 995 HZ3 LYS A 97 183.099 176.063 187.497 1.00105.44 H +ATOM 996 N GLY A 98 184.939 179.479 183.789 1.00 46.51 N +ATOM 997 CA GLY A 98 186.310 179.635 184.240 1.00 41.55 C +ATOM 998 C GLY A 98 186.586 181.043 184.724 1.00 39.13 C +ATOM 999 O GLY A 98 187.351 181.253 185.664 1.00 38.80 O +ATOM 1000 H GLY A 98 184.862 179.326 182.946 1.00 55.81 H +ATOM 1001 HA2 GLY A 98 186.484 179.018 184.968 1.00 49.86 H +ATOM 1002 HA3 GLY A 98 186.917 179.433 183.511 1.00 49.86 H +ATOM 1003 N PHE A 99 185.952 182.010 184.072 1.00 41.33 N +ATOM 1004 CA PHE A 99 186.113 183.419 184.408 1.00 44.33 C +ATOM 1005 C PHE A 99 185.500 183.737 185.771 1.00 53.01 C +ATOM 1006 O PHE A 99 186.123 184.397 186.604 1.00 49.39 O +ATOM 1007 CB PHE A 99 185.482 184.282 183.310 1.00 44.25 C +ATOM 1008 CG PHE A 99 185.265 185.715 183.701 1.00 42.95 C +ATOM 1009 CD1 PHE A 99 186.274 186.648 183.555 1.00 44.30 C +ATOM 1010 CD2 PHE A 99 184.040 186.133 184.193 1.00 44.28 C +ATOM 1011 CE1 PHE A 99 186.070 187.969 183.906 1.00 46.10 C +ATOM 1012 CE2 PHE A 99 183.832 187.450 184.545 1.00 38.62 C +ATOM 1013 CZ PHE A 99 184.847 188.369 184.401 1.00 42.69 C +ATOM 1014 H PHE A 99 185.412 181.872 183.417 1.00 49.60 H +ATOM 1015 HA PHE A 99 187.059 183.629 184.448 1.00 53.20 H +ATOM 1016 HB2 PHE A 99 186.064 184.273 182.534 1.00 53.10 H +ATOM 1017 HB3 PHE A 99 184.619 183.906 183.077 1.00 53.10 H +ATOM 1018 HD1 PHE A 99 187.101 186.383 183.222 1.00 53.16 H +ATOM 1019 HD2 PHE A 99 183.351 185.517 184.292 1.00 53.14 H +ATOM 1020 HE1 PHE A 99 186.757 188.588 183.809 1.00 55.32 H +ATOM 1021 HE2 PHE A 99 183.006 187.717 184.878 1.00 46.35 H +ATOM 1022 HZ PHE A 99 184.708 189.257 184.638 1.00 51.23 H +ATOM 1023 N TRP A 100 184.282 183.259 186.001 1.00 49.36 N +ATOM 1024 CA TRP A 100 183.598 183.502 187.266 1.00 47.78 C +ATOM 1025 C TRP A 100 184.302 182.822 188.435 1.00 48.81 C +ATOM 1026 O TRP A 100 184.341 183.366 189.536 1.00 47.56 O +ATOM 1027 CB TRP A 100 182.146 183.037 187.181 1.00 34.73 C +ATOM 1028 CG TRP A 100 181.339 183.890 186.267 1.00 34.93 C +ATOM 1029 CD1 TRP A 100 180.736 183.510 185.108 1.00 37.87 C +ATOM 1030 CD2 TRP A 100 181.068 185.286 186.423 1.00 32.80 C +ATOM 1031 NE1 TRP A 100 180.094 184.580 184.535 1.00 38.12 N +ATOM 1032 CE2 TRP A 100 180.285 185.683 185.324 1.00 35.50 C +ATOM 1033 CE3 TRP A 100 181.408 186.237 187.388 1.00 39.14 C +ATOM 1034 CZ2 TRP A 100 179.835 186.988 185.164 1.00 35.25 C +ATOM 1035 CZ3 TRP A 100 180.962 187.531 187.228 1.00 38.12 C +ATOM 1036 CH2 TRP A 100 180.183 187.896 186.124 1.00 36.19 C +ATOM 1037 H TRP A 100 183.829 182.790 185.440 1.00 59.23 H +ATOM 1038 HA TRP A 100 183.593 184.457 187.439 1.00 57.34 H +ATOM 1039 HB2 TRP A 100 182.123 182.127 186.845 1.00 41.67 H +ATOM 1040 HB3 TRP A 100 181.747 183.077 188.064 1.00 41.67 H +ATOM 1041 HD1 TRP A 100 180.752 182.648 184.758 1.00 45.44 H +ATOM 1042 HE1 TRP A 100 179.647 184.561 183.800 1.00 45.74 H +ATOM 1043 HE3 TRP A 100 181.925 186.002 188.124 1.00 46.97 H +ATOM 1044 HZ2 TRP A 100 179.317 187.234 184.432 1.00 42.30 H +ATOM 1045 HZ3 TRP A 100 181.182 188.172 187.864 1.00 45.75 H +ATOM 1046 HH2 TRP A 100 179.896 188.777 186.043 1.00 43.43 H +ATOM 1047 N ASN A 101 184.862 181.640 188.192 1.00 49.77 N +ATOM 1048 CA ASN A 101 185.636 180.936 189.210 1.00 51.44 C +ATOM 1049 C ASN A 101 186.790 181.784 189.738 1.00 55.27 C +ATOM 1050 O ASN A 101 187.123 181.719 190.921 1.00 59.80 O +ATOM 1051 CB ASN A 101 186.176 179.616 188.654 1.00 42.72 C +ATOM 1052 CG ASN A 101 185.229 178.447 188.879 1.00 72.18 C +ATOM 1053 OD1 ASN A 101 184.129 178.612 189.411 1.00 85.12 O +ATOM 1054 ND2 ASN A 101 185.655 177.256 188.469 1.00100.38 N +ATOM 1055 H ASN A 101 184.808 181.223 187.442 1.00 59.72 H +ATOM 1056 HA ASN A 101 185.054 180.728 189.957 1.00 61.72 H +ATOM 1057 HB2 ASN A 101 186.314 179.709 187.698 1.00 51.27 H +ATOM 1058 HB3 ASN A 101 187.016 179.409 189.092 1.00 51.27 H +ATOM 1059 HD21 ASN A 101 185.157 176.562 188.574 1.00120.45 H +ATOM 1060 HD22 ASN A 101 186.428 177.180 188.100 1.00120.45 H +ATOM 1061 N VAL A 102 187.392 182.581 188.862 1.00 50.51 N +ATOM 1062 CA VAL A 102 188.475 183.470 189.264 1.00 47.54 C +ATOM 1063 C VAL A 102 187.916 184.694 189.981 1.00 47.08 C +ATOM 1064 O VAL A 102 188.418 185.083 191.035 1.00 50.08 O +ATOM 1065 CB VAL A 102 189.320 183.914 188.053 1.00 53.82 C +ATOM 1066 CG1 VAL A 102 190.353 184.966 188.461 1.00 44.39 C +ATOM 1067 CG2 VAL A 102 190.008 182.712 187.430 1.00 49.78 C +ATOM 1068 H VAL A 102 187.192 182.626 188.027 1.00 60.62 H +ATOM 1069 HA VAL A 102 189.058 183.000 189.880 1.00 57.04 H +ATOM 1070 HB VAL A 102 188.736 184.308 187.386 1.00 64.58 H +ATOM 1071 HG11 VAL A 102 190.866 185.223 187.680 1.00 53.27 H +ATOM 1072 HG12 VAL A 102 189.891 185.738 188.824 1.00 53.27 H +ATOM 1073 HG13 VAL A 102 190.941 184.586 189.133 1.00 53.27 H +ATOM 1074 HG21 VAL A 102 190.535 183.008 186.671 1.00 59.73 H +ATOM 1075 HG22 VAL A 102 190.585 182.300 188.092 1.00 59.73 H +ATOM 1076 HG23 VAL A 102 189.334 182.079 187.138 1.00 59.73 H +ATOM 1077 N VAL A 103 186.878 185.298 189.408 1.00 52.22 N +ATOM 1078 CA VAL A 103 186.233 186.458 190.017 1.00 57.28 C +ATOM 1079 C VAL A 103 185.764 186.138 191.432 1.00 55.52 C +ATOM 1080 O VAL A 103 185.928 186.947 192.345 1.00 50.98 O +ATOM 1081 CB VAL A 103 185.028 186.943 189.177 1.00 66.81 C +ATOM 1082 CG1 VAL A 103 184.199 187.983 189.945 1.00 61.50 C +ATOM 1083 CG2 VAL A 103 185.505 187.518 187.853 1.00 57.30 C +ATOM 1084 H VAL A 103 186.526 185.053 188.662 1.00 62.66 H +ATOM 1085 HA VAL A 103 186.874 187.184 190.070 1.00 68.73 H +ATOM 1086 HB VAL A 103 184.453 186.186 188.985 1.00 80.18 H +ATOM 1087 HG11 VAL A 103 183.454 188.264 189.390 1.00 73.80 H +ATOM 1088 HG12 VAL A 103 183.869 187.582 190.764 1.00 73.80 H +ATOM 1089 HG13 VAL A 103 184.763 188.744 190.152 1.00 73.80 H +ATOM 1090 HG21 VAL A 103 184.735 187.815 187.343 1.00 68.76 H +ATOM 1091 HG22 VAL A 103 186.095 188.267 188.028 1.00 68.76 H +ATOM 1092 HG23 VAL A 103 185.980 186.828 187.363 1.00 68.76 H +ATOM 1093 N ASN A 104 185.182 184.956 191.608 1.00 49.38 N +ATOM 1094 CA ASN A 104 184.672 184.542 192.910 1.00 44.80 C +ATOM 1095 C ASN A 104 185.762 184.514 193.975 1.00 42.57 C +ATOM 1096 O ASN A 104 185.484 184.692 195.158 1.00 50.56 O +ATOM 1097 CB ASN A 104 184.017 183.163 192.815 1.00 39.39 C +ATOM 1098 CG ASN A 104 182.749 183.174 191.985 1.00 38.13 C +ATOM 1099 OD1 ASN A 104 182.097 184.206 191.834 1.00 38.39 O +ATOM 1100 ND2 ASN A 104 182.392 182.016 191.441 1.00 35.27 N +ATOM 1101 H ASN A 104 185.069 184.373 190.986 1.00 59.26 H +ATOM 1102 HA ASN A 104 183.994 185.174 193.196 1.00 53.75 H +ATOM 1103 HB2 ASN A 104 184.640 182.544 192.404 1.00 47.27 H +ATOM 1104 HB3 ASN A 104 183.788 182.859 193.708 1.00 47.27 H +ATOM 1105 HD21 ASN A 104 181.680 181.968 190.960 1.00 42.33 H +ATOM 1106 HD22 ASN A 104 182.872 181.314 191.569 1.00 42.33 H +ATOM 1107 N ASN A 105 187.003 184.296 193.547 1.00 47.22 N +ATOM 1108 CA ASN A 105 188.137 184.213 194.464 1.00 45.31 C +ATOM 1109 C ASN A 105 188.903 185.529 194.587 1.00 43.96 C +ATOM 1110 O ASN A 105 189.951 185.582 195.229 1.00 45.98 O +ATOM 1111 CB ASN A 105 189.089 183.101 194.022 1.00 45.36 C +ATOM 1112 CG ASN A 105 188.557 181.721 194.347 1.00 51.47 C +ATOM 1113 OD1 ASN A 105 188.665 181.255 195.480 1.00 72.24 O +ATOM 1114 ND2 ASN A 105 187.973 181.062 193.356 1.00 65.75 N +ATOM 1115 H ASN A 105 187.216 184.192 192.720 1.00 56.66 H +ATOM 1116 HA ASN A 105 187.806 183.983 195.346 1.00 54.37 H +ATOM 1117 HB2 ASN A 105 189.216 183.156 193.062 1.00 54.43 H +ATOM 1118 HB3 ASN A 105 189.938 183.211 194.477 1.00 54.43 H +ATOM 1119 HD21 ASN A 105 187.655 180.275 193.491 1.00 78.90 H +ATOM 1120 HD22 ASN A 105 187.912 181.422 192.577 1.00 78.90 H +ATOM 1121 N ILE A 105A 188.378 186.582 193.970 1.00 43.09 N +ATOM 1122 CA ILE A 105A 188.917 187.929 194.130 1.00 48.92 C +ATOM 1123 C ILE A 105A 187.902 188.749 194.930 1.00 51.40 C +ATOM 1124 O ILE A 105A 186.985 189.325 194.349 1.00 47.96 O +ATOM 1125 CB ILE A 105A 189.200 188.602 192.774 1.00 57.97 C +ATOM 1126 CG1 ILE A 105A 190.186 187.758 191.964 1.00 52.76 C +ATOM 1127 CG2 ILE A 105A 189.767 190.005 192.982 1.00 42.50 C +ATOM 1128 CD1 ILE A 105A 190.384 188.227 190.535 1.00 52.18 C +ATOM 1129 H ILE A 105A 187.697 186.543 193.446 1.00 51.71 H +ATOM 1130 HA ILE A 105A 189.746 187.889 194.632 1.00 58.70 H +ATOM 1131 HB ILE A 105A 188.368 188.672 192.280 1.00 69.56 H +ATOM 1132 HG12 ILE A 105A 191.050 187.780 192.405 1.00 63.31 H +ATOM 1133 HG13 ILE A 105A 189.859 186.845 191.932 1.00 63.31 H +ATOM 1134 HG21 ILE A 105A 189.936 190.408 192.116 1.00 51.00 H +ATOM 1135 HG22 ILE A 105A 189.121 190.536 193.474 1.00 51.00 H +ATOM 1136 HG23 ILE A 105A 190.594 189.940 193.485 1.00 51.00 H +ATOM 1137 HD11 ILE A 105A 191.020 187.641 190.096 1.00 62.61 H +ATOM 1138 HD12 ILE A 105A 189.532 188.199 190.072 1.00 62.61 H +ATOM 1139 HD13 ILE A 105A 190.725 189.136 190.546 1.00 62.61 H +ATOM 1140 N PRO A 106 188.058 188.795 196.269 1.00 47.42 N +ATOM 1141 CA PRO A 106 187.063 189.428 197.146 1.00 49.25 C +ATOM 1142 C PRO A 106 186.672 190.821 196.682 1.00 50.21 C +ATOM 1143 O PRO A 106 185.503 191.194 196.753 1.00 52.97 O +ATOM 1144 CB PRO A 106 187.778 189.489 198.499 1.00 47.21 C +ATOM 1145 CG PRO A 106 188.766 188.394 198.449 1.00 43.23 C +ATOM 1146 CD PRO A 106 189.231 188.335 197.033 1.00 44.39 C +ATOM 1147 HA PRO A 106 186.271 188.873 197.221 1.00 59.10 H +ATOM 1148 HB2 PRO A 106 188.220 190.347 198.598 1.00 56.65 H +ATOM 1149 HB3 PRO A 106 187.140 189.344 199.214 1.00 56.65 H +ATOM 1150 HG2 PRO A 106 189.505 188.596 199.043 1.00 51.88 H +ATOM 1151 HG3 PRO A 106 188.341 187.561 198.703 1.00 51.88 H +ATOM 1152 HD2 PRO A 106 189.980 188.937 196.898 1.00 53.27 H +ATOM 1153 HD3 PRO A 106 189.458 187.424 196.789 1.00 53.27 H +ATOM 1154 N PHE A 107 187.656 191.570 196.202 1.00 56.20 N +ATOM 1155 CA PHE A 107 187.437 192.916 195.697 1.00 50.47 C +ATOM 1156 C PHE A 107 186.399 192.947 194.577 1.00 45.89 C +ATOM 1157 O PHE A 107 185.479 193.765 194.598 1.00 49.75 O +ATOM 1158 CB PHE A 107 188.761 193.500 195.202 1.00 60.94 C +ATOM 1159 CG PHE A 107 188.611 194.772 194.428 1.00 61.27 C +ATOM 1160 CD1 PHE A 107 188.301 195.957 195.072 1.00 77.28 C +ATOM 1161 CD2 PHE A 107 188.789 194.786 193.057 1.00 63.27 C +ATOM 1162 CE1 PHE A 107 188.163 197.133 194.359 1.00 77.57 C +ATOM 1163 CE2 PHE A 107 188.654 195.957 192.339 1.00 71.68 C +ATOM 1164 CZ PHE A 107 188.341 197.133 192.991 1.00 79.04 C +ATOM 1165 H PHE A 107 188.476 191.315 196.158 1.00 67.44 H +ATOM 1166 HA PHE A 107 187.114 193.475 196.420 1.00 60.57 H +ATOM 1167 HB2 PHE A 107 189.326 193.685 195.969 1.00 73.13 H +ATOM 1168 HB3 PHE A 107 189.192 192.851 194.625 1.00 73.13 H +ATOM 1169 HD1 PHE A 107 188.179 195.961 195.994 1.00 92.73 H +ATOM 1170 HD2 PHE A 107 189.000 193.996 192.613 1.00 75.93 H +ATOM 1171 HE1 PHE A 107 187.953 197.924 194.801 1.00 93.08 H +ATOM 1172 HE2 PHE A 107 188.775 195.954 191.417 1.00 86.02 H +ATOM 1173 HZ PHE A 107 188.250 197.923 192.509 1.00 94.84 H +ATOM 1174 N LEU A 108 186.546 192.057 193.601 1.00 52.54 N +ATOM 1175 CA LEU A 108 185.644 192.026 192.454 1.00 55.80 C +ATOM 1176 C LEU A 108 184.286 191.436 192.813 1.00 46.98 C +ATOM 1177 O LEU A 108 183.251 191.954 192.396 1.00 41.83 O +ATOM 1178 CB LEU A 108 186.257 191.225 191.306 1.00 54.76 C +ATOM 1179 CG LEU A 108 187.559 191.754 190.704 1.00 63.09 C +ATOM 1180 CD1 LEU A 108 187.992 190.855 189.561 1.00 78.18 C +ATOM 1181 CD2 LEU A 108 187.411 193.194 190.230 1.00 53.41 C +ATOM 1182 H LEU A 108 187.162 191.458 193.579 1.00 63.04 H +ATOM 1183 HA LEU A 108 185.501 192.933 192.142 1.00 66.96 H +ATOM 1184 HB2 LEU A 108 186.436 190.327 191.627 1.00 65.71 H +ATOM 1185 HB3 LEU A 108 185.607 191.183 190.587 1.00 65.71 H +ATOM 1186 HG LEU A 108 188.252 191.732 191.382 1.00 75.71 H +ATOM 1187 HD11 LEU A 108 188.818 191.198 189.185 1.00 93.81 H +ATOM 1188 HD12 LEU A 108 188.131 189.957 189.900 1.00 93.81 H +ATOM 1189 HD13 LEU A 108 187.298 190.849 188.883 1.00 93.81 H +ATOM 1190 HD21 LEU A 108 188.256 193.491 189.856 1.00 64.09 H +ATOM 1191 HD22 LEU A 108 186.718 193.233 189.553 1.00 64.09 H +ATOM 1192 HD23 LEU A 108 187.169 193.752 190.985 1.00 64.09 H +ATOM 1193 N ARG A 109 184.299 190.345 193.571 1.00 45.76 N +ATOM 1194 CA ARG A 109 183.065 189.688 193.986 1.00 45.96 C +ATOM 1195 C ARG A 109 182.166 190.656 194.748 1.00 47.88 C +ATOM 1196 O ARG A 109 180.970 190.749 194.477 1.00 38.52 O +ATOM 1197 CB ARG A 109 183.370 188.469 194.856 1.00 46.27 C +ATOM 1198 CG ARG A 109 182.155 187.600 195.148 1.00 46.14 C +ATOM 1199 CD ARG A 109 182.371 186.746 196.381 1.00 57.27 C +ATOM 1200 NE ARG A 109 181.247 185.851 196.631 1.00 50.05 N +ATOM 1201 CZ ARG A 109 181.144 185.055 197.690 1.00 49.33 C +ATOM 1202 NH1 ARG A 109 182.100 185.044 198.610 1.00 47.14 N +ATOM 1203 NH2 ARG A 109 180.085 184.272 197.833 1.00 48.79 N +ATOM 1204 H ARG A 109 185.013 189.963 193.860 1.00 54.91 H +ATOM 1205 HA ARG A 109 182.585 189.386 193.199 1.00 55.15 H +ATOM 1206 HB2 ARG A 109 184.026 187.917 194.401 1.00 55.52 H +ATOM 1207 HB3 ARG A 109 183.728 188.772 195.705 1.00 55.52 H +ATOM 1208 HG2 ARG A 109 181.384 188.168 195.302 1.00 55.36 H +ATOM 1209 HG3 ARG A 109 181.993 187.011 194.395 1.00 55.36 H +ATOM 1210 HD2 ARG A 109 183.167 186.206 196.259 1.00 68.73 H +ATOM 1211 HD3 ARG A 109 182.474 187.323 197.154 1.00 68.73 H +ATOM 1212 HE ARG A 109 180.609 185.836 196.054 1.00 60.07 H +ATOM 1213 HH11 ARG A 109 182.789 185.551 198.520 1.00 56.57 H +ATOM 1214 HH12 ARG A 109 182.032 184.529 199.295 1.00 56.57 H +ATOM 1215 HH21 ARG A 109 179.463 184.278 197.240 1.00 58.55 H +ATOM 1216 HH22 ARG A 109 180.020 183.759 198.520 1.00 58.55 H +ATOM 1217 N ASN A 110 182.757 191.379 195.696 1.00 45.56 N +ATOM 1218 CA ASN A 110 182.022 192.336 196.513 1.00 41.51 C +ATOM 1219 C ASN A 110 181.409 193.459 195.686 1.00 48.19 C +ATOM 1220 O ASN A 110 180.238 193.795 195.857 1.00 47.13 O +ATOM 1221 CB ASN A 110 182.937 192.931 197.584 1.00 35.36 C +ATOM 1222 CG ASN A 110 183.341 191.916 198.630 1.00 32.03 C +ATOM 1223 OD1 ASN A 110 182.793 190.817 198.685 1.00 41.22 O +ATOM 1224 ND2 ASN A 110 184.299 192.282 199.471 1.00 33.29 N +ATOM 1225 H ASN A 110 183.595 191.331 195.887 1.00 54.67 H +ATOM 1226 HA ASN A 110 181.299 191.872 196.963 1.00 49.82 H +ATOM 1227 HB2 ASN A 110 183.744 193.264 197.162 1.00 42.43 H +ATOM 1228 HB3 ASN A 110 182.472 193.655 198.032 1.00 42.43 H +ATOM 1229 HD21 ASN A 110 184.563 191.740 200.084 1.00 39.95 H +ATOM 1230 HD22 ASN A 110 184.656 193.062 199.404 1.00 39.95 H +ATOM 1231 N ALA A 111 182.207 194.037 194.795 1.00 44.35 N +ATOM 1232 CA ALA A 111 181.745 195.124 193.940 1.00 39.17 C +ATOM 1233 C ALA A 111 180.573 194.672 193.079 1.00 42.06 C +ATOM 1234 O ALA A 111 179.606 195.409 192.896 1.00 43.48 O +ATOM 1235 CB ALA A 111 182.880 195.630 193.065 1.00 41.19 C +ATOM 1236 H ALA A 111 183.028 193.816 194.665 1.00 53.22 H +ATOM 1237 HA ALA A 111 181.444 195.859 194.497 1.00 47.01 H +ATOM 1238 HB1 ALA A 111 182.549 196.351 192.506 1.00 49.43 H +ATOM 1239 HB2 ALA A 111 183.597 195.952 193.633 1.00 49.43 H +ATOM 1240 HB3 ALA A 111 183.199 194.901 192.510 1.00 49.43 H +ATOM 1241 N ILE A 112 180.666 193.455 192.557 1.00 40.84 N +ATOM 1242 CA ILE A 112 179.616 192.902 191.712 1.00 43.72 C +ATOM 1243 C ILE A 112 178.352 192.642 192.520 1.00 44.88 C +ATOM 1244 O ILE A 112 177.261 193.043 192.118 1.00 43.43 O +ATOM 1245 CB ILE A 112 180.079 191.598 191.027 1.00 47.90 C +ATOM 1246 CG1 ILE A 112 181.104 191.928 189.935 1.00 48.34 C +ATOM 1247 CG2 ILE A 112 178.891 190.837 190.422 1.00 33.32 C +ATOM 1248 CD1 ILE A 112 181.748 190.718 189.296 1.00 48.76 C +ATOM 1249 H ILE A 112 181.332 192.925 192.678 1.00 49.01 H +ATOM 1250 HA ILE A 112 179.400 193.544 191.018 1.00 52.47 H +ATOM 1251 HB ILE A 112 180.504 191.032 191.691 1.00 57.48 H +ATOM 1252 HG12 ILE A 112 180.660 192.430 189.234 1.00 58.01 H +ATOM 1253 HG13 ILE A 112 181.810 192.466 190.325 1.00 58.01 H +ATOM 1254 HG21 ILE A 112 179.218 190.027 190.002 1.00 39.98 H +ATOM 1255 HG22 ILE A 112 178.266 190.615 191.130 1.00 39.98 H +ATOM 1256 HG23 ILE A 112 178.458 191.402 189.763 1.00 39.98 H +ATOM 1257 HD11 ILE A 112 182.378 191.016 188.621 1.00 58.51 H +ATOM 1258 HD12 ILE A 112 182.210 190.209 189.979 1.00 58.51 H +ATOM 1259 HD13 ILE A 112 181.058 190.173 188.886 1.00 58.51 H +ATOM 1260 N MET A 113 178.500 191.964 193.653 1.00 44.15 N +ATOM 1261 CA MET A 113 177.358 191.653 194.499 1.00 45.95 C +ATOM 1262 C MET A 113 176.681 192.938 194.956 1.00 42.90 C +ATOM 1263 O MET A 113 175.455 193.038 194.956 1.00 34.52 O +ATOM 1264 CB MET A 113 177.788 190.822 195.709 1.00 42.78 C +ATOM 1265 CG MET A 113 176.621 190.300 196.528 1.00 40.92 C +ATOM 1266 SD MET A 113 175.575 189.161 195.598 1.00 33.24 S +ATOM 1267 CE MET A 113 173.964 189.587 196.247 1.00 31.64 C +ATOM 1268 H MET A 113 179.252 191.673 193.953 1.00 52.97 H +ATOM 1269 HA MET A 113 176.723 191.127 193.988 1.00 55.15 H +ATOM 1270 HB2 MET A 113 178.299 190.058 195.400 1.00 51.33 H +ATOM 1271 HB3 MET A 113 178.336 191.373 196.289 1.00 51.33 H +ATOM 1272 HG2 MET A 113 176.964 189.829 197.303 1.00 49.11 H +ATOM 1273 HG3 MET A 113 176.073 191.049 196.811 1.00 49.11 H +ATOM 1274 HE1 MET A 113 173.294 189.032 195.818 1.00 37.97 H +ATOM 1275 HE2 MET A 113 173.958 189.432 197.205 1.00 37.97 H +ATOM 1276 HE3 MET A 113 173.787 190.523 196.062 1.00 37.97 H +ATOM 1277 N SER A 114 177.492 193.920 195.334 1.00 39.76 N +ATOM 1278 CA SER A 114 176.992 195.221 195.759 1.00 39.26 C +ATOM 1279 C SER A 114 176.091 195.841 194.694 1.00 45.28 C +ATOM 1280 O SER A 114 175.023 196.368 195.006 1.00 43.81 O +ATOM 1281 CB SER A 114 178.159 196.159 196.069 1.00 44.44 C +ATOM 1282 OG SER A 114 177.698 197.397 196.583 1.00 51.42 O +ATOM 1283 H SER A 114 178.349 193.856 195.353 1.00 47.71 H +ATOM 1284 HA SER A 114 176.469 195.111 196.569 1.00 47.11 H +ATOM 1285 HB2 SER A 114 178.733 195.740 196.728 1.00 53.33 H +ATOM 1286 HB3 SER A 114 178.656 196.323 195.253 1.00 53.33 H +ATOM 1287 HG SER A 114 178.350 197.900 196.748 1.00 61.70 H +ATOM 1288 N TYR A 115 176.523 195.766 193.439 1.00 43.02 N +ATOM 1289 CA TYR A 115 175.755 196.327 192.334 1.00 46.18 C +ATOM 1290 C TYR A 115 174.444 195.578 192.119 1.00 47.05 C +ATOM 1291 O TYR A 115 173.408 196.194 191.859 1.00 39.56 O +ATOM 1292 CB TYR A 115 176.571 196.307 191.042 1.00 48.22 C +ATOM 1293 CG TYR A 115 175.756 196.688 189.829 1.00 47.07 C +ATOM 1294 CD1 TYR A 115 175.495 198.019 189.536 1.00 48.66 C +ATOM 1295 CD2 TYR A 115 175.234 195.717 188.985 1.00 46.04 C +ATOM 1296 CE1 TYR A 115 174.745 198.373 188.435 1.00 51.20 C +ATOM 1297 CE2 TYR A 115 174.483 196.062 187.881 1.00 47.57 C +ATOM 1298 CZ TYR A 115 174.242 197.391 187.611 1.00 51.64 C +ATOM 1299 OH TYR A 115 173.494 197.744 186.511 1.00 92.35 O +ATOM 1300 H TYR A 115 177.260 195.393 193.201 1.00 51.62 H +ATOM 1301 HA TYR A 115 175.541 197.251 192.537 1.00 55.41 H +ATOM 1302 HB2 TYR A 115 177.303 196.937 191.121 1.00 57.87 H +ATOM 1303 HB3 TYR A 115 176.917 195.412 190.901 1.00 57.87 H +ATOM 1304 HD1 TYR A 115 175.834 198.684 190.091 1.00 58.40 H +ATOM 1305 HD2 TYR A 115 175.395 194.819 189.166 1.00 55.25 H +ATOM 1306 HE1 TYR A 115 174.581 199.269 188.249 1.00 61.44 H +ATOM 1307 HE2 TYR A 115 174.141 195.401 187.322 1.00 57.09 H +ATOM 1308 HH TYR A 115 173.250 197.055 186.097 1.00110.82 H +ATOM 1309 N VAL A 116 174.499 194.251 192.206 1.00 42.79 N +ATOM 1310 CA VAL A 116 173.302 193.423 192.107 1.00 40.20 C +ATOM 1311 C VAL A 116 172.264 193.897 193.114 1.00 36.20 C +ATOM 1312 O VAL A 116 171.107 194.110 192.768 1.00 37.00 O +ATOM 1313 CB VAL A 116 173.619 191.924 192.350 1.00 35.82 C +ATOM 1314 CG1 VAL A 116 172.337 191.103 192.515 1.00 34.55 C +ATOM 1315 CG2 VAL A 116 174.453 191.370 191.212 1.00 35.90 C +ATOM 1316 H VAL A 116 175.224 193.804 192.323 1.00 51.34 H +ATOM 1317 HA VAL A 116 172.925 193.513 191.218 1.00 48.24 H +ATOM 1318 HB VAL A 116 174.136 191.840 193.167 1.00 42.98 H +ATOM 1319 HG11 VAL A 116 172.575 190.174 192.665 1.00 41.46 H +ATOM 1320 HG12 VAL A 116 171.840 191.444 193.275 1.00 41.46 H +ATOM 1321 HG13 VAL A 116 171.805 191.183 191.709 1.00 41.46 H +ATOM 1322 HG21 VAL A 116 174.638 190.434 191.384 1.00 43.09 H +ATOM 1323 HG22 VAL A 116 173.956 191.462 190.383 1.00 43.09 H +ATOM 1324 HG23 VAL A 116 175.283 191.868 191.158 1.00 43.09 H +ATOM 1325 N LEU A 117 172.687 194.071 194.361 1.00 39.47 N +ATOM 1326 CA LEU A 117 171.780 194.480 195.426 1.00 41.65 C +ATOM 1327 C LEU A 117 171.201 195.870 195.184 1.00 41.43 C +ATOM 1328 O LEU A 117 169.986 196.057 195.240 1.00 46.19 O +ATOM 1329 CB LEU A 117 172.493 194.448 196.777 1.00 34.77 C +ATOM 1330 CG LEU A 117 173.005 193.083 197.239 1.00 40.78 C +ATOM 1331 CD1 LEU A 117 173.802 193.224 198.522 1.00 28.52 C +ATOM 1332 CD2 LEU A 117 171.859 192.107 197.424 1.00 31.69 C +ATOM 1333 H LEU A 117 173.500 193.958 194.618 1.00 47.37 H +ATOM 1334 HA LEU A 117 171.040 193.853 195.465 1.00 49.98 H +ATOM 1335 HB2 LEU A 117 173.257 195.043 196.732 1.00 41.73 H +ATOM 1336 HB3 LEU A 117 171.876 194.769 197.454 1.00 41.73 H +ATOM 1337 HG LEU A 117 173.597 192.723 196.560 1.00 48.93 H +ATOM 1338 HD11 LEU A 117 174.116 192.348 198.796 1.00 34.22 H +ATOM 1339 HD12 LEU A 117 174.556 193.812 198.362 1.00 34.22 H +ATOM 1340 HD13 LEU A 117 173.229 193.600 199.209 1.00 34.22 H +ATOM 1341 HD21 LEU A 117 172.216 191.254 197.716 1.00 38.03 H +ATOM 1342 HD22 LEU A 117 171.251 192.459 198.092 1.00 38.03 H +ATOM 1343 HD23 LEU A 117 171.397 192.001 196.578 1.00 38.03 H +ATOM 1344 N THR A 118 172.069 196.841 194.918 1.00 40.14 N +ATOM 1345 CA THR A 118 171.632 198.222 194.750 1.00 43.77 C +ATOM 1346 C THR A 118 170.772 198.397 193.501 1.00 49.64 C +ATOM 1347 O THR A 118 169.738 199.060 193.547 1.00 44.84 O +ATOM 1348 CB THR A 118 172.829 199.193 194.671 1.00 44.22 C +ATOM 1349 OG1 THR A 118 173.750 198.749 193.667 1.00 46.44 O +ATOM 1350 CG2 THR A 118 173.542 199.275 196.014 1.00 49.74 C +ATOM 1351 H THR A 118 172.916 196.726 194.830 1.00 48.17 H +ATOM 1352 HA THR A 118 171.095 198.475 195.518 1.00 52.53 H +ATOM 1353 HB THR A 118 172.507 200.079 194.443 1.00 53.07 H +ATOM 1354 HG1 THR A 118 174.033 197.981 193.855 1.00 55.73 H +ATOM 1355 HG21 THR A 118 174.292 199.888 195.954 1.00 59.69 H +ATOM 1356 HG22 THR A 118 172.929 199.593 196.696 1.00 59.69 H +ATOM 1357 HG23 THR A 118 173.870 198.399 196.269 1.00 59.69 H +ATOM 1358 N SER A 119 171.194 197.797 192.392 1.00 41.83 N +ATOM 1359 CA SER A 119 170.491 197.975 191.125 1.00 46.45 C +ATOM 1360 C SER A 119 169.088 197.365 191.165 1.00 47.15 C +ATOM 1361 O SER A 119 168.120 198.001 190.751 1.00 43.51 O +ATOM 1362 CB SER A 119 171.297 197.369 189.970 1.00 41.60 C +ATOM 1363 OG SER A 119 171.302 195.954 190.018 1.00 42.39 O +ATOM 1364 H SER A 119 171.882 197.284 192.346 1.00 50.20 H +ATOM 1365 HA SER A 119 170.395 198.924 190.952 1.00 55.73 H +ATOM 1366 HB2 SER A 119 170.902 197.652 189.131 1.00 49.92 H +ATOM 1367 HB3 SER A 119 172.212 197.687 190.027 1.00 49.92 H +ATOM 1368 HG SER A 119 171.645 195.692 190.739 1.00 50.87 H +ATOM 1369 N ARG A 120 168.974 196.141 191.670 1.00 44.62 N +ATOM 1370 CA ARG A 120 167.678 195.467 191.729 1.00 52.87 C +ATOM 1371 C ARG A 120 166.743 196.125 192.747 1.00 53.50 C +ATOM 1372 O ARG A 120 165.523 196.068 192.599 1.00 54.32 O +ATOM 1373 CB ARG A 120 167.850 193.985 192.074 1.00 44.43 C +ATOM 1374 CG ARG A 120 168.817 193.222 191.177 1.00 56.06 C +ATOM 1375 CD ARG A 120 168.119 192.397 190.105 1.00 63.61 C +ATOM 1376 NE ARG A 120 169.057 191.476 189.465 1.00 82.60 N +ATOM 1377 CZ ARG A 120 168.734 190.601 188.518 1.00 66.35 C +ATOM 1378 NH1 ARG A 120 167.486 190.512 188.080 1.00 61.03 N +ATOM 1379 NH2 ARG A 120 169.668 189.809 188.007 1.00 72.16 N +ATOM 1380 H ARG A 120 169.628 195.679 191.983 1.00 53.55 H +ATOM 1381 HA ARG A 120 167.256 195.523 190.857 1.00 63.44 H +ATOM 1382 HB2 ARG A 120 168.178 193.916 192.984 1.00 53.32 H +ATOM 1383 HB3 ARG A 120 166.985 193.551 192.008 1.00 53.32 H +ATOM 1384 HG2 ARG A 120 169.401 193.856 190.733 1.00 67.28 H +ATOM 1385 HG3 ARG A 120 169.342 192.617 191.724 1.00 67.28 H +ATOM 1386 HD2 ARG A 120 167.408 191.877 190.511 1.00 76.33 H +ATOM 1387 HD3 ARG A 120 167.760 192.990 189.426 1.00 76.33 H +ATOM 1388 HE ARG A 120 169.878 191.503 189.719 1.00 99.12 H +ATOM 1389 HH11 ARG A 120 166.877 191.023 188.410 1.00 73.24 H +ATOM 1390 HH12 ARG A 120 167.284 189.944 187.467 1.00 73.24 H +ATOM 1391 HH21 ARG A 120 170.479 189.864 188.288 1.00 86.59 H +ATOM 1392 HH22 ARG A 120 169.462 189.243 187.394 1.00 86.59 H +ATOM 1393 N SER A 121 167.311 196.754 193.772 1.00 54.63 N +ATOM 1394 CA SER A 121 166.512 197.321 194.859 1.00 56.79 C +ATOM 1395 C SER A 121 165.853 198.647 194.484 1.00 58.03 C +ATOM 1396 O SER A 121 164.794 198.985 195.010 1.00 54.36 O +ATOM 1397 CB SER A 121 167.372 197.514 196.107 1.00 49.95 C +ATOM 1398 OG SER A 121 167.834 196.269 196.598 1.00 49.65 O +ATOM 1399 H SER A 121 168.158 196.867 193.864 1.00 65.55 H +ATOM 1400 HA SER A 121 165.805 196.695 195.083 1.00 68.15 H +ATOM 1401 HB2 SER A 121 168.137 198.067 195.881 1.00 59.94 H +ATOM 1402 HB3 SER A 121 166.841 197.947 196.794 1.00 59.94 H +ATOM 1403 HG SER A 121 168.296 195.883 196.012 1.00 59.58 H +ATOM 1404 N HIS A 122 166.478 199.392 193.576 1.00 57.08 N +ATOM 1405 CA HIS A 122 165.929 200.663 193.106 1.00 57.40 C +ATOM 1406 C HIS A 122 164.562 200.492 192.441 1.00 55.20 C +ATOM 1407 O HIS A 122 163.848 201.470 192.222 1.00 48.45 O +ATOM 1408 CB HIS A 122 166.893 201.331 192.121 1.00 60.51 C +ATOM 1409 CG HIS A 122 168.095 201.949 192.767 1.00 69.87 C +ATOM 1410 ND1 HIS A 122 168.053 202.535 194.014 1.00 76.52 N +ATOM 1411 CD2 HIS A 122 169.372 202.077 192.335 1.00 72.28 C +ATOM 1412 CE1 HIS A 122 169.252 202.995 194.323 1.00 72.32 C +ATOM 1413 NE2 HIS A 122 170.071 202.729 193.322 1.00 72.90 N +ATOM 1414 H HIS A 122 167.229 199.182 193.213 1.00 68.50 H +ATOM 1415 HA HIS A 122 165.819 201.257 193.865 1.00 68.88 H +ATOM 1416 HB2 HIS A 122 167.207 200.663 191.491 1.00 72.61 H +ATOM 1417 HB3 HIS A 122 166.419 202.031 191.647 1.00 72.61 H +ATOM 1418 HD2 HIS A 122 169.713 201.778 191.523 1.00 86.73 H +ATOM 1419 HE1 HIS A 122 169.481 203.431 195.112 1.00 86.78 H +ATOM 1420 HE2 HIS A 122 170.906 202.932 193.292 1.00 87.48 H +ATOM 1421 N LEU A 123 164.205 199.252 192.117 1.00 48.91 N +ATOM 1422 CA LEU A 123 162.946 198.966 191.437 1.00 40.45 C +ATOM 1423 C LEU A 123 161.775 198.808 192.406 1.00 36.10 C +ATOM 1424 O LEU A 123 160.627 198.704 191.977 1.00 38.81 O +ATOM 1425 CB LEU A 123 163.086 197.703 190.586 1.00 47.37 C +ATOM 1426 CG LEU A 123 163.911 197.849 189.304 1.00 42.37 C +ATOM 1427 CD1 LEU A 123 164.207 196.489 188.708 1.00 38.37 C +ATOM 1428 CD2 LEU A 123 163.187 198.723 188.294 1.00 53.55 C +ATOM 1429 H LEU A 123 164.680 198.554 192.281 1.00 58.69 H +ATOM 1430 HA LEU A 123 162.739 199.703 190.842 1.00 48.54 H +ATOM 1431 HB2 LEU A 123 163.508 197.017 191.125 1.00 56.85 H +ATOM 1432 HB3 LEU A 123 162.198 197.410 190.327 1.00 56.85 H +ATOM 1433 HG LEU A 123 164.756 198.274 189.519 1.00 50.85 H +ATOM 1434 HD11 LEU A 123 164.729 196.607 187.899 1.00 46.04 H +ATOM 1435 HD12 LEU A 123 164.708 195.965 189.352 1.00 46.04 H +ATOM 1436 HD13 LEU A 123 163.370 196.047 188.500 1.00 46.04 H +ATOM 1437 HD21 LEU A 123 163.732 198.798 187.495 1.00 64.26 H +ATOM 1438 HD22 LEU A 123 162.335 198.315 188.077 1.00 64.26 H +ATOM 1439 HD23 LEU A 123 163.045 199.601 188.681 1.00 64.26 H +ATOM 1440 N ILE A 124 162.064 198.786 193.703 1.00 41.08 N +ATOM 1441 CA ILE A 124 161.021 198.709 194.723 1.00 35.51 C +ATOM 1442 C ILE A 124 160.879 200.033 195.454 1.00 30.07 C +ATOM 1443 O ILE A 124 161.866 200.623 195.890 1.00 30.98 O +ATOM 1444 CB ILE A 124 161.308 197.605 195.757 1.00 27.73 C +ATOM 1445 CG1 ILE A 124 161.536 196.260 195.060 1.00 30.32 C +ATOM 1446 CG2 ILE A 124 160.163 197.499 196.758 1.00 35.81 C +ATOM 1447 CD1 ILE A 124 160.407 195.834 194.142 1.00 29.92 C +ATOM 1448 H ILE A 124 162.862 198.814 194.022 1.00 49.30 H +ATOM 1449 HA ILE A 124 160.173 198.509 194.295 1.00 42.61 H +ATOM 1450 HB ILE A 124 162.116 197.840 196.240 1.00 33.27 H +ATOM 1451 HG12 ILE A 124 162.344 196.319 194.527 1.00 36.39 H +ATOM 1452 HG13 ILE A 124 161.640 195.573 195.737 1.00 36.39 H +ATOM 1453 HG21 ILE A 124 160.366 196.799 197.398 1.00 42.97 H +ATOM 1454 HG22 ILE A 124 160.066 198.349 197.217 1.00 42.97 H +ATOM 1455 HG23 ILE A 124 159.346 197.285 196.282 1.00 42.97 H +ATOM 1456 HD11 ILE A 124 160.630 194.978 193.744 1.00 35.90 H +ATOM 1457 HD12 ILE A 124 159.591 195.756 194.661 1.00 35.90 H +ATOM 1458 HD13 ILE A 124 160.296 196.503 193.448 1.00 35.90 H +ATOM 1459 N ASP A 125 159.641 200.496 195.587 1.00 29.40 N +ATOM 1460 CA ASP A 125 159.359 201.673 196.392 1.00 32.92 C +ATOM 1461 C ASP A 125 159.410 201.298 197.867 1.00 35.07 C +ATOM 1462 O ASP A 125 158.715 200.386 198.310 1.00 32.42 O +ATOM 1463 CB ASP A 125 157.994 202.269 196.034 1.00 44.86 C +ATOM 1464 CG ASP A 125 157.982 202.940 194.667 1.00 53.41 C +ATOM 1465 OD1 ASP A 125 159.058 203.373 194.197 1.00 44.31 O +ATOM 1466 OD2 ASP A 125 156.893 203.039 194.065 1.00 65.70 O +ATOM 1467 H ASP A 125 158.948 200.144 195.219 1.00 35.28 H +ATOM 1468 HA ASP A 125 160.038 202.345 196.225 1.00 39.51 H +ATOM 1469 HB2 ASP A 125 157.332 201.560 196.025 1.00 53.83 H +ATOM 1470 HB3 ASP A 125 157.757 202.936 196.697 1.00 53.83 H +ATOM 1471 N SER A 126 160.246 202.008 198.614 1.00 29.79 N +ATOM 1472 CA SER A 126 160.407 201.776 200.040 1.00 25.94 C +ATOM 1473 C SER A 126 160.717 203.101 200.739 1.00 27.30 C +ATOM 1474 O SER A 126 161.754 203.705 200.476 1.00 31.46 O +ATOM 1475 CB SER A 126 161.517 200.758 200.295 1.00 29.20 C +ATOM 1476 OG SER A 126 161.684 200.528 201.682 1.00 32.14 O +ATOM 1477 H SER A 126 160.740 202.643 198.310 1.00 35.75 H +ATOM 1478 HA SER A 126 159.580 201.424 200.404 1.00 31.12 H +ATOM 1479 HB2 SER A 126 161.283 199.922 199.862 1.00 35.04 H +ATOM 1480 HB3 SER A 126 162.348 201.100 199.930 1.00 35.04 H +ATOM 1481 HG SER A 126 160.971 200.231 202.012 1.00 38.57 H +ATOM 1482 N PRO A 127 159.829 203.573 201.629 1.00 27.76 N +ATOM 1483 CA PRO A 127 158.563 203.000 202.110 1.00 29.93 C +ATOM 1484 C PRO A 127 157.569 202.686 200.992 1.00 29.32 C +ATOM 1485 O PRO A 127 157.637 203.295 199.923 1.00 29.03 O +ATOM 1486 CB PRO A 127 158.004 204.096 203.021 1.00 31.95 C +ATOM 1487 CG PRO A 127 159.180 204.885 203.444 1.00 31.72 C +ATOM 1488 CD PRO A 127 160.129 204.856 202.289 1.00 32.02 C +ATOM 1489 HA PRO A 127 158.729 202.199 202.631 1.00 35.91 H +ATOM 1490 HB2 PRO A 127 157.381 204.648 202.523 1.00 38.34 H +ATOM 1491 HB3 PRO A 127 157.568 203.692 203.787 1.00 38.34 H +ATOM 1492 HG2 PRO A 127 158.907 205.796 203.638 1.00 38.06 H +ATOM 1493 HG3 PRO A 127 159.582 204.475 204.226 1.00 38.06 H +ATOM 1494 HD2 PRO A 127 159.950 205.596 201.687 1.00 38.43 H +ATOM 1495 HD3 PRO A 127 161.046 204.868 202.605 1.00 38.43 H +ATOM 1496 N PRO A 128 156.651 201.741 201.241 1.00 29.76 N +ATOM 1497 CA PRO A 128 155.720 201.267 200.214 1.00 29.47 C +ATOM 1498 C PRO A 128 154.667 202.309 199.851 1.00 28.02 C +ATOM 1499 O PRO A 128 154.544 203.326 200.533 1.00 20.99 O +ATOM 1500 CB PRO A 128 155.084 200.041 200.869 1.00 24.50 C +ATOM 1501 CG PRO A 128 155.111 200.349 202.317 1.00 28.58 C +ATOM 1502 CD PRO A 128 156.375 201.130 202.553 1.00 26.11 C +ATOM 1503 HA PRO A 128 156.201 200.997 199.416 1.00 35.37 H +ATOM 1504 HB2 PRO A 128 154.173 199.935 200.555 1.00 29.40 H +ATOM 1505 HB3 PRO A 128 155.613 199.252 200.673 1.00 29.40 H +ATOM 1506 HG2 PRO A 128 154.334 200.881 202.550 1.00 34.30 H +ATOM 1507 HG3 PRO A 128 155.123 199.523 202.824 1.00 34.30 H +ATOM 1508 HD2 PRO A 128 156.228 201.818 203.221 1.00 31.33 H +ATOM 1509 HD3 PRO A 128 157.097 200.535 202.807 1.00 31.33 H +ATOM 1510 N THR A 129 153.913 202.048 198.788 1.00 30.20 N +ATOM 1511 CA THR A 129 152.947 203.012 198.276 1.00 30.91 C +ATOM 1512 C THR A 129 151.533 202.433 198.196 1.00 28.26 C +ATOM 1513 O THR A 129 150.750 202.571 199.133 1.00 25.94 O +ATOM 1514 CB THR A 129 153.374 203.521 196.889 1.00 28.28 C +ATOM 1515 OG1 THR A 129 153.538 202.412 195.999 1.00 33.19 O +ATOM 1516 CG2 THR A 129 154.692 204.275 196.986 1.00 30.60 C +ATOM 1517 H THR A 129 153.943 201.314 198.341 1.00 36.24 H +ATOM 1518 HA THR A 129 152.921 203.774 198.876 1.00 37.10 H +ATOM 1519 HB THR A 129 152.697 204.122 196.539 1.00 33.93 H +ATOM 1520 HG1 THR A 129 153.771 202.686 195.239 1.00 39.83 H +ATOM 1521 HG21 THR A 129 154.957 204.594 196.109 1.00 36.72 H +ATOM 1522 HG22 THR A 129 154.596 205.034 197.582 1.00 36.72 H +ATOM 1523 HG23 THR A 129 155.384 203.689 197.330 1.00 36.72 H +ATOM 1524 N TYR A 130 151.213 201.779 197.086 1.00 30.12 N +ATOM 1525 CA TYR A 130 149.842 201.368 196.813 1.00 32.31 C +ATOM 1526 C TYR A 130 149.460 200.041 197.460 1.00 29.98 C +ATOM 1527 O TYR A 130 150.322 199.266 197.873 1.00 30.25 O +ATOM 1528 CB TYR A 130 149.622 201.265 195.302 1.00 32.40 C +ATOM 1529 CG TYR A 130 150.115 202.465 194.528 1.00 33.08 C +ATOM 1530 CD1 TYR A 130 149.495 203.701 194.652 1.00 38.28 C +ATOM 1531 CD2 TYR A 130 151.197 202.360 193.664 1.00 30.75 C +ATOM 1532 CE1 TYR A 130 149.944 204.799 193.945 1.00 42.04 C +ATOM 1533 CE2 TYR A 130 151.650 203.452 192.952 1.00 38.87 C +ATOM 1534 CZ TYR A 130 151.021 204.668 193.097 1.00 48.87 C +ATOM 1535 OH TYR A 130 151.468 205.757 192.392 1.00 50.60 O +ATOM 1536 H TYR A 130 151.774 201.561 196.472 1.00 36.14 H +ATOM 1537 HA TYR A 130 149.239 202.047 197.154 1.00 38.77 H +ATOM 1538 HB2 TYR A 130 150.093 200.485 194.970 1.00 38.88 H +ATOM 1539 HB3 TYR A 130 148.671 201.173 195.130 1.00 38.88 H +ATOM 1540 HD1 TYR A 130 148.768 203.793 195.226 1.00 45.94 H +ATOM 1541 HD2 TYR A 130 151.625 201.540 193.565 1.00 36.90 H +ATOM 1542 HE1 TYR A 130 149.520 205.621 194.040 1.00 50.45 H +ATOM 1543 HE2 TYR A 130 152.377 203.368 192.379 1.00 46.64 H +ATOM 1544 HH TYR A 130 152.126 205.541 191.916 1.00 60.72 H +ATOM 1545 N ASN A 131 148.154 199.807 197.559 1.00 31.89 N +ATOM 1546 CA ASN A 131 147.622 198.486 197.882 1.00 31.87 C +ATOM 1547 C ASN A 131 146.334 198.245 197.097 1.00 30.36 C +ATOM 1548 O ASN A 131 145.968 199.050 196.241 1.00 30.98 O +ATOM 1549 CB ASN A 131 147.395 198.326 199.396 1.00 30.00 C +ATOM 1550 CG ASN A 131 146.320 199.253 199.954 1.00 37.32 C +ATOM 1551 OD1 ASN A 131 145.431 199.720 199.242 1.00 43.19 O +ATOM 1552 ND2 ASN A 131 146.397 199.511 201.254 1.00 27.52 N +ATOM 1553 H ASN A 131 147.547 200.405 197.441 1.00 38.27 H +ATOM 1554 HA ASN A 131 148.267 197.815 197.607 1.00 38.24 H +ATOM 1555 HB2 ASN A 131 147.123 197.412 199.577 1.00 36.00 H +ATOM 1556 HB3 ASN A 131 148.225 198.520 199.860 1.00 36.00 H +ATOM 1557 HD21 ASN A 131 145.818 200.027 201.626 1.00 33.03 H +ATOM 1558 HD22 ASN A 131 147.026 199.161 201.725 1.00 33.03 H +ATOM 1559 N ALA A 132 145.650 197.144 197.390 1.00 28.95 N +ATOM 1560 CA ALA A 132 144.476 196.736 196.622 1.00 35.08 C +ATOM 1561 C ALA A 132 143.390 197.808 196.577 1.00 32.93 C +ATOM 1562 O ALA A 132 142.660 197.913 195.594 1.00 40.52 O +ATOM 1563 CB ALA A 132 143.904 195.450 197.194 1.00 35.53 C +ATOM 1564 H ALA A 132 145.846 196.611 198.036 1.00 34.74 H +ATOM 1565 HA ALA A 132 144.750 196.556 195.709 1.00 42.10 H +ATOM 1566 HB1 ALA A 132 143.127 195.192 196.674 1.00 42.63 H +ATOM 1567 HB2 ALA A 132 144.580 194.755 197.146 1.00 42.63 H +ATOM 1568 HB3 ALA A 132 143.650 195.601 198.118 1.00 42.63 H +ATOM 1569 N ASP A 133 143.295 198.606 197.634 1.00 37.96 N +ATOM 1570 CA ASP A 133 142.208 199.571 197.774 1.00 33.20 C +ATOM 1571 C ASP A 133 142.598 200.998 197.399 1.00 33.79 C +ATOM 1572 O ASP A 133 141.746 201.882 197.381 1.00 38.42 O +ATOM 1573 CB ASP A 133 141.683 199.559 199.213 1.00 33.87 C +ATOM 1574 CG ASP A 133 140.859 198.322 199.526 1.00 33.86 C +ATOM 1575 OD1 ASP A 133 140.187 197.803 198.613 1.00 46.57 O +ATOM 1576 OD2 ASP A 133 140.879 197.869 200.688 1.00 33.74 O +ATOM 1577 H ASP A 133 143.851 198.608 198.289 1.00 45.56 H +ATOM 1578 HA ASP A 133 141.479 199.303 197.193 1.00 39.84 H +ATOM 1579 HB2 ASP A 133 142.436 199.580 199.824 1.00 40.65 H +ATOM 1580 HB3 ASP A 133 141.121 200.337 199.351 1.00 40.65 H +ATOM 1581 N TYR A 134 143.873 201.226 197.098 1.00 29.94 N +ATOM 1582 CA TYR A 134 144.357 202.576 196.824 1.00 27.42 C +ATOM 1583 C TYR A 134 145.324 202.626 195.649 1.00 34.37 C +ATOM 1584 O TYR A 134 146.455 202.153 195.739 1.00 36.25 O +ATOM 1585 CB TYR A 134 145.022 203.159 198.074 1.00 31.25 C +ATOM 1586 CG TYR A 134 144.044 203.431 199.192 1.00 32.57 C +ATOM 1587 CD1 TYR A 134 143.387 204.651 199.282 1.00 32.01 C +ATOM 1588 CD2 TYR A 134 143.764 202.467 200.150 1.00 30.97 C +ATOM 1589 CE1 TYR A 134 142.486 204.905 200.300 1.00 31.39 C +ATOM 1590 CE2 TYR A 134 142.862 202.710 201.169 1.00 31.09 C +ATOM 1591 CZ TYR A 134 142.226 203.932 201.239 1.00 31.53 C +ATOM 1592 OH TYR A 134 141.328 204.180 202.253 1.00 30.20 O +ATOM 1593 H TYR A 134 144.478 200.617 197.047 1.00 35.92 H +ATOM 1594 HA TYR A 134 143.598 203.139 196.604 1.00 32.91 H +ATOM 1595 HB2 TYR A 134 145.682 202.529 198.401 1.00 37.50 H +ATOM 1596 HB3 TYR A 134 145.451 203.997 197.841 1.00 37.50 H +ATOM 1597 HD1 TYR A 134 143.559 205.310 198.649 1.00 38.42 H +ATOM 1598 HD2 TYR A 134 144.190 201.641 200.105 1.00 37.16 H +ATOM 1599 HE1 TYR A 134 142.055 205.728 200.348 1.00 37.67 H +ATOM 1600 HE2 TYR A 134 142.687 202.054 201.804 1.00 37.30 H +ATOM 1601 HH TYR A 134 141.016 204.957 202.177 1.00 36.24 H +ATOM 1602 N GLY A 135 144.858 203.203 194.545 1.00 32.20 N +ATOM 1603 CA GLY A 135 145.688 203.433 193.377 1.00 28.28 C +ATOM 1604 C GLY A 135 146.273 204.833 193.382 1.00 29.24 C +ATOM 1605 O GLY A 135 146.817 205.295 192.382 1.00 32.33 O +ATOM 1606 H GLY A 135 144.048 203.475 194.450 1.00 38.64 H +ATOM 1607 HA2 GLY A 135 146.416 202.792 193.363 1.00 33.94 H +ATOM 1608 HA3 GLY A 135 145.158 203.320 192.573 1.00 33.94 H +ATOM 1609 N TYR A 136 146.137 205.515 194.514 1.00 30.24 N +ATOM 1610 CA TYR A 136 146.811 206.785 194.752 1.00 36.91 C +ATOM 1611 C TYR A 136 147.469 206.720 196.123 1.00 30.09 C +ATOM 1612 O TYR A 136 147.023 205.971 196.990 1.00 31.94 O +ATOM 1613 CB TYR A 136 145.832 207.958 194.676 1.00 27.63 C +ATOM 1614 CG TYR A 136 144.658 207.836 195.623 1.00 31.93 C +ATOM 1615 CD1 TYR A 136 143.498 207.178 195.239 1.00 29.79 C +ATOM 1616 CD2 TYR A 136 144.710 208.376 196.902 1.00 28.75 C +ATOM 1617 CE1 TYR A 136 142.428 207.062 196.097 1.00 28.38 C +ATOM 1618 CE2 TYR A 136 143.641 208.262 197.766 1.00 31.64 C +ATOM 1619 CZ TYR A 136 142.503 207.605 197.358 1.00 27.58 C +ATOM 1620 OH TYR A 136 141.436 207.490 198.212 1.00 33.56 O +ATOM 1621 H TYR A 136 145.648 205.257 195.173 1.00 36.29 H +ATOM 1622 HA TYR A 136 147.502 206.916 194.084 1.00 44.30 H +ATOM 1623 HB2 TYR A 136 146.306 208.775 194.896 1.00 33.16 H +ATOM 1624 HB3 TYR A 136 145.481 208.014 193.774 1.00 33.16 H +ATOM 1625 HD1 TYR A 136 143.443 206.809 194.387 1.00 35.75 H +ATOM 1626 HD2 TYR A 136 145.478 208.820 197.180 1.00 34.50 H +ATOM 1627 HE1 TYR A 136 141.657 206.619 195.825 1.00 34.06 H +ATOM 1628 HE2 TYR A 136 143.688 208.629 198.619 1.00 37.97 H +ATOM 1629 HH TYR A 136 140.812 207.070 197.837 1.00 40.28 H +ATOM 1630 N LYS A 137 148.534 207.488 196.316 1.00 37.46 N +ATOM 1631 CA LYS A 137 149.219 207.505 197.603 1.00 36.60 C +ATOM 1632 C LYS A 137 148.292 208.030 198.688 1.00 28.07 C +ATOM 1633 O LYS A 137 147.644 209.061 198.520 1.00 28.46 O +ATOM 1634 CB LYS A 137 150.490 208.356 197.544 1.00 36.77 C +ATOM 1635 CG LYS A 137 151.711 207.632 196.999 1.00 43.54 C +ATOM 1636 CD LYS A 137 151.951 207.967 195.551 1.00 58.30 C +ATOM 1637 CE LYS A 137 153.242 207.359 195.044 1.00 40.03 C +ATOM 1638 NZ LYS A 137 153.325 207.488 193.563 1.00 54.32 N +ATOM 1639 H LYS A 137 148.879 208.006 195.722 1.00 44.95 H +ATOM 1640 HA LYS A 137 149.474 206.599 197.838 1.00 43.92 H +ATOM 1641 HB2 LYS A 137 150.324 209.123 196.973 1.00 44.12 H +ATOM 1642 HB3 LYS A 137 150.703 208.658 198.441 1.00 44.12 H +ATOM 1643 HG2 LYS A 137 152.493 207.898 197.507 1.00 52.25 H +ATOM 1644 HG3 LYS A 137 151.573 206.674 197.071 1.00 52.25 H +ATOM 1645 HD2 LYS A 137 151.221 207.617 195.017 1.00 69.96 H +ATOM 1646 HD3 LYS A 137 152.009 208.930 195.451 1.00 69.96 H +ATOM 1647 HE2 LYS A 137 153.996 207.826 195.437 1.00 48.03 H +ATOM 1648 HE3 LYS A 137 153.269 206.417 195.273 1.00 48.03 H +ATOM 1649 HZ1 LYS A 137 154.085 207.130 193.269 1.00 65.19 H +ATOM 1650 HZ2 LYS A 137 152.640 207.067 193.183 1.00 65.19 H +ATOM 1651 HZ3 LYS A 137 153.301 208.347 193.331 1.00 65.19 H +ATOM 1652 N SER A 138 148.226 207.299 199.794 1.00 29.06 N +ATOM 1653 CA SER A 138 147.427 207.699 200.943 1.00 25.11 C +ATOM 1654 C SER A 138 148.057 207.165 202.217 1.00 33.99 C +ATOM 1655 O SER A 138 148.826 206.203 202.185 1.00 27.09 O +ATOM 1656 CB SER A 138 145.995 207.188 200.816 1.00 28.48 C +ATOM 1657 OG SER A 138 145.953 205.777 200.915 1.00 34.42 O +ATOM 1658 H SER A 138 148.642 206.554 199.904 1.00 34.87 H +ATOM 1659 HA SER A 138 147.403 208.667 200.997 1.00 30.13 H +ATOM 1660 HB2 SER A 138 145.459 207.571 201.529 1.00 34.17 H +ATOM 1661 HB3 SER A 138 145.639 207.455 199.954 1.00 34.17 H +ATOM 1662 HG SER A 138 145.161 205.507 200.844 1.00 41.31 H +ATOM 1663 N TRP A 139 147.723 207.786 203.341 1.00 31.94 N +ATOM 1664 CA TRP A 139 148.249 207.343 204.617 1.00 23.77 C +ATOM 1665 C TRP A 139 147.657 206.002 205.024 1.00 26.45 C +ATOM 1666 O TRP A 139 148.293 205.234 205.741 1.00 28.70 O +ATOM 1667 CB TRP A 139 147.979 208.369 205.708 1.00 26.50 C +ATOM 1668 CG TRP A 139 148.799 208.087 206.906 1.00 28.62 C +ATOM 1669 CD1 TRP A 139 148.414 207.418 208.030 1.00 29.89 C +ATOM 1670 CD2 TRP A 139 150.172 208.430 207.091 1.00 35.26 C +ATOM 1671 NE1 TRP A 139 149.462 207.337 208.912 1.00 30.35 N +ATOM 1672 CE2 TRP A 139 150.554 207.952 208.357 1.00 32.06 C +ATOM 1673 CE3 TRP A 139 151.113 209.105 206.311 1.00 34.73 C +ATOM 1674 CZ2 TRP A 139 151.837 208.126 208.861 1.00 38.79 C +ATOM 1675 CZ3 TRP A 139 152.382 209.281 206.815 1.00 36.65 C +ATOM 1676 CH2 TRP A 139 152.735 208.792 208.077 1.00 32.80 C +ATOM 1677 H TRP A 139 147.196 208.464 203.389 1.00 38.33 H +ATOM 1678 HA TRP A 139 149.210 207.235 204.541 1.00 28.53 H +ATOM 1679 HB2 TRP A 139 148.206 209.254 205.383 1.00 31.81 H +ATOM 1680 HB3 TRP A 139 147.043 208.331 205.962 1.00 31.81 H +ATOM 1681 HD1 TRP A 139 147.565 207.069 208.178 1.00 35.86 H +ATOM 1682 HE1 TRP A 139 149.438 206.961 209.685 1.00 36.42 H +ATOM 1683 HE3 TRP A 139 150.887 209.433 205.471 1.00 41.67 H +ATOM 1684 HZ2 TRP A 139 152.073 207.806 209.702 1.00 46.55 H +ATOM 1685 HZ3 TRP A 139 153.018 209.727 206.304 1.00 43.98 H +ATOM 1686 HH2 TRP A 139 153.601 208.925 208.390 1.00 39.36 H +ATOM 1687 N GLU A 140 146.438 205.727 204.575 1.00 31.54 N +ATOM 1688 CA GLU A 140 145.807 204.444 204.851 1.00 30.62 C +ATOM 1689 C GLU A 140 146.623 203.324 204.216 1.00 26.19 C +ATOM 1690 O GLU A 140 146.873 202.295 204.839 1.00 25.53 O +ATOM 1691 CB GLU A 140 144.368 204.417 204.327 1.00 28.24 C +ATOM 1692 CG GLU A 140 143.640 203.102 204.576 1.00 28.31 C +ATOM 1693 CD GLU A 140 143.500 202.772 206.051 1.00 37.50 C +ATOM 1694 OE1 GLU A 140 143.480 203.708 206.879 1.00 35.53 O +ATOM 1695 OE2 GLU A 140 143.412 201.573 206.384 1.00 27.86 O +ATOM 1696 H GLU A 140 145.956 206.266 204.109 1.00 37.85 H +ATOM 1697 HA GLU A 140 145.785 204.298 205.809 1.00 36.75 H +ATOM 1698 HB2 GLU A 140 143.864 205.121 204.765 1.00 33.89 H +ATOM 1699 HB3 GLU A 140 144.382 204.571 203.369 1.00 33.89 H +ATOM 1700 HG2 GLU A 140 142.749 203.158 204.197 1.00 33.97 H +ATOM 1701 HG3 GLU A 140 144.135 202.382 204.154 1.00 33.97 H +ATOM 1702 N ALA A 141 147.042 203.536 202.974 1.00 23.57 N +ATOM 1703 CA ALA A 141 147.796 202.530 202.240 1.00 28.79 C +ATOM 1704 C ALA A 141 149.188 202.337 202.835 1.00 33.45 C +ATOM 1705 O ALA A 141 149.687 201.214 202.912 1.00 27.72 O +ATOM 1706 CB ALA A 141 147.897 202.912 200.776 1.00 29.13 C +ATOM 1707 H ALA A 141 146.902 204.260 202.531 1.00 28.28 H +ATOM 1708 HA ALA A 141 147.328 201.683 202.297 1.00 34.54 H +ATOM 1709 HB1 ALA A 141 148.402 202.230 200.307 1.00 34.96 H +ATOM 1710 HB2 ALA A 141 147.003 202.977 200.405 1.00 34.96 H +ATOM 1711 HB3 ALA A 141 148.348 203.768 200.704 1.00 34.96 H +ATOM 1712 N PHE A 142 149.815 203.429 203.259 1.00 23.64 N +ATOM 1713 CA PHE A 142 151.142 203.339 203.849 1.00 26.07 C +ATOM 1714 C PHE A 142 151.129 202.658 205.214 1.00 29.19 C +ATOM 1715 O PHE A 142 151.933 201.763 205.473 1.00 24.75 O +ATOM 1716 CB PHE A 142 151.779 204.718 204.010 1.00 21.06 C +ATOM 1717 CG PHE A 142 152.899 204.729 205.005 1.00 22.72 C +ATOM 1718 CD1 PHE A 142 154.118 204.154 204.696 1.00 26.56 C +ATOM 1719 CD2 PHE A 142 152.720 205.268 206.266 1.00 22.45 C +ATOM 1720 CE1 PHE A 142 155.146 204.137 205.619 1.00 20.11 C +ATOM 1721 CE2 PHE A 142 153.744 205.253 207.191 1.00 25.24 C +ATOM 1722 CZ PHE A 142 154.957 204.687 206.867 1.00 22.94 C +ATOM 1723 H PHE A 142 149.497 204.227 203.216 1.00 28.36 H +ATOM 1724 HA PHE A 142 151.710 202.816 203.262 1.00 31.28 H +ATOM 1725 HB2 PHE A 142 152.136 205.002 203.154 1.00 25.27 H +ATOM 1726 HB3 PHE A 142 151.103 205.344 204.312 1.00 25.27 H +ATOM 1727 HD1 PHE A 142 154.250 203.779 203.855 1.00 31.87 H +ATOM 1728 HD2 PHE A 142 151.902 205.650 206.492 1.00 26.94 H +ATOM 1729 HE1 PHE A 142 155.965 203.756 205.397 1.00 24.13 H +ATOM 1730 HE2 PHE A 142 153.615 205.627 208.033 1.00 30.29 H +ATOM 1731 HZ PHE A 142 155.649 204.682 207.488 1.00 27.53 H +ATOM 1732 N SER A 143 150.216 203.089 206.079 1.00 22.74 N +ATOM 1733 CA SER A 143 150.287 202.769 207.501 1.00 28.34 C +ATOM 1734 C SER A 143 149.664 201.424 207.873 1.00 25.41 C +ATOM 1735 O SER A 143 150.054 200.809 208.863 1.00 32.18 O +ATOM 1736 CB SER A 143 149.609 203.878 208.312 1.00 27.32 C +ATOM 1737 OG SER A 143 148.212 203.899 208.085 1.00 29.99 O +ATOM 1738 H SER A 143 149.539 203.574 205.864 1.00 27.29 H +ATOM 1739 HA SER A 143 151.220 202.742 207.765 1.00 34.01 H +ATOM 1740 HB2 SER A 143 149.772 203.723 209.255 1.00 32.79 H +ATOM 1741 HB3 SER A 143 149.983 204.734 208.049 1.00 32.79 H +ATOM 1742 HG SER A 143 148.055 204.035 207.271 1.00 35.98 H +ATOM 1743 N ASN A 144 148.697 200.969 207.087 1.00 28.32 N +ATOM 1744 CA ASN A 144 147.945 199.767 207.429 1.00 30.00 C +ATOM 1745 C ASN A 144 148.704 198.504 207.026 1.00 26.42 C +ATOM 1746 O ASN A 144 148.712 198.117 205.858 1.00 23.22 O +ATOM 1747 CB ASN A 144 146.569 199.813 206.764 1.00 29.32 C +ATOM 1748 CG ASN A 144 145.613 198.763 207.302 1.00 27.76 C +ATOM 1749 OD1 ASN A 144 146.010 197.666 207.681 1.00 23.20 O +ATOM 1750 ND2 ASN A 144 144.334 199.104 207.331 1.00 35.21 N +ATOM 1751 H ASN A 144 148.454 201.338 206.349 1.00 33.98 H +ATOM 1752 HA ASN A 144 147.812 199.742 208.390 1.00 36.00 H +ATOM 1753 HB2 ASN A 144 146.174 200.685 206.919 1.00 35.19 H +ATOM 1754 HB3 ASN A 144 146.675 199.662 205.812 1.00 35.19 H +ATOM 1755 HD21 ASN A 144 144.094 199.879 207.045 1.00 42.25 H +ATOM 1756 N LEU A 145 149.329 197.865 208.010 1.00 27.19 N +ATOM 1757 CA LEU A 145 150.224 196.737 207.769 1.00 25.41 C +ATOM 1758 C LEU A 145 149.485 195.446 207.418 1.00 26.58 C +ATOM 1759 O LEU A 145 150.116 194.430 207.132 1.00 20.42 O +ATOM 1760 CB LEU A 145 151.106 196.494 208.997 1.00 24.27 C +ATOM 1761 CG LEU A 145 151.991 197.657 209.460 1.00 27.74 C +ATOM 1762 CD1 LEU A 145 152.755 197.268 210.713 1.00 30.61 C +ATOM 1763 CD2 LEU A 145 152.953 198.088 208.369 1.00 21.62 C +ATOM 1764 H LEU A 145 149.250 198.070 208.842 1.00 32.63 H +ATOM 1765 HA LEU A 145 150.806 196.955 207.024 1.00 30.49 H +ATOM 1766 HB2 LEU A 145 150.529 196.261 209.741 1.00 29.12 H +ATOM 1767 HB3 LEU A 145 151.694 195.748 208.803 1.00 29.12 H +ATOM 1768 HG LEU A 145 151.427 198.415 209.677 1.00 33.28 H +ATOM 1769 HD11 LEU A 145 153.308 198.016 210.989 1.00 36.73 H +ATOM 1770 HD12 LEU A 145 152.121 197.049 211.413 1.00 36.73 H +ATOM 1771 HD13 LEU A 145 153.312 196.499 210.517 1.00 36.73 H +ATOM 1772 HD21 LEU A 145 153.494 198.823 208.698 1.00 25.94 H +ATOM 1773 HD22 LEU A 145 153.521 197.337 208.135 1.00 25.94 H +ATOM 1774 HD23 LEU A 145 152.443 198.373 207.594 1.00 25.94 H +ATOM 1775 N SER A 146 148.157 195.484 207.436 1.00 23.62 N +ATOM 1776 CA SER A 146 147.364 194.290 207.168 1.00 29.39 C +ATOM 1777 C SER A 146 147.230 194.027 205.674 1.00 26.27 C +ATOM 1778 O SER A 146 146.826 192.941 205.273 1.00 24.54 O +ATOM 1779 CB SER A 146 145.977 194.409 207.798 1.00 27.24 C +ATOM 1780 OG SER A 146 146.070 194.420 209.208 1.00 28.67 O +ATOM 1781 H SER A 146 147.691 196.188 207.601 1.00 28.34 H +ATOM 1782 HA SER A 146 147.807 193.525 207.566 1.00 35.27 H +ATOM 1783 HB2 SER A 146 145.564 195.235 207.502 1.00 32.68 H +ATOM 1784 HB3 SER A 146 145.439 193.650 207.523 1.00 32.68 H +ATOM 1785 HG SER A 146 145.304 194.485 209.546 1.00 34.40 H +ATOM 1786 N TYR A 147 147.569 195.019 204.856 1.00 25.78 N +ATOM 1787 CA TYR A 147 147.558 194.860 203.406 1.00 29.24 C +ATOM 1788 C TYR A 147 148.878 194.324 202.871 1.00 32.19 C +ATOM 1789 O TYR A 147 149.946 194.700 203.352 1.00 27.26 O +ATOM 1790 CB TYR A 147 147.297 196.193 202.704 1.00 33.48 C +ATOM 1791 CG TYR A 147 145.899 196.760 202.778 1.00 40.49 C +ATOM 1792 CD1 TYR A 147 145.527 197.605 203.814 1.00 36.24 C +ATOM 1793 CD2 TYR A 147 144.969 196.505 201.775 1.00 34.44 C +ATOM 1794 CE1 TYR A 147 144.266 198.150 203.868 1.00 37.53 C +ATOM 1795 CE2 TYR A 147 143.703 197.048 201.824 1.00 32.60 C +ATOM 1796 CZ TYR A 147 143.358 197.870 202.872 1.00 38.24 C +ATOM 1797 OH TYR A 147 142.102 198.416 202.931 1.00 39.74 O +ATOM 1798 H TYR A 147 147.811 195.801 205.119 1.00 30.94 H +ATOM 1799 HA TYR A 147 146.854 194.241 203.156 1.00 35.09 H +ATOM 1800 HB2 TYR A 147 147.893 196.855 203.087 1.00 40.18 H +ATOM 1801 HB3 TYR A 147 147.509 196.082 201.763 1.00 40.18 H +ATOM 1802 HD1 TYR A 147 146.138 197.798 204.488 1.00 43.48 H +ATOM 1803 HD2 TYR A 147 145.202 195.950 201.066 1.00 41.33 H +ATOM 1804 HE1 TYR A 147 144.028 198.706 204.574 1.00 45.03 H +ATOM 1805 HE2 TYR A 147 143.086 196.861 201.153 1.00 39.12 H +ATOM 1806 HH TYR A 147 141.650 198.168 202.268 1.00 47.69 H +ATOM 1807 N TYR A 148 148.803 193.464 201.863 1.00 32.07 N +ATOM 1808 CA TYR A 148 149.913 193.322 200.934 1.00 29.65 C +ATOM 1809 C TYR A 148 150.049 194.664 200.225 1.00 28.94 C +ATOM 1810 O TYR A 148 149.040 195.293 199.905 1.00 26.39 O +ATOM 1811 CB TYR A 148 149.672 192.212 199.910 1.00 26.30 C +ATOM 1812 CG TYR A 148 149.755 190.800 200.439 1.00 27.88 C +ATOM 1813 CD1 TYR A 148 150.971 190.246 200.816 1.00 28.10 C +ATOM 1814 CD2 TYR A 148 148.620 190.006 200.522 1.00 28.68 C +ATOM 1815 CE1 TYR A 148 151.048 188.948 201.284 1.00 29.04 C +ATOM 1816 CE2 TYR A 148 148.688 188.711 200.987 1.00 35.89 C +ATOM 1817 CZ TYR A 148 149.903 188.186 201.366 1.00 27.67 C +ATOM 1818 OH TYR A 148 149.969 186.894 201.829 1.00 23.50 O +ATOM 1819 H TYR A 148 148.129 192.957 201.697 1.00 38.48 H +ATOM 1820 HA TYR A 148 150.732 193.135 201.419 1.00 35.59 H +ATOM 1821 HB2 TYR A 148 148.785 192.329 199.535 1.00 31.56 H +ATOM 1822 HB3 TYR A 148 150.333 192.297 199.206 1.00 31.56 H +ATOM 1823 HD1 TYR A 148 151.744 190.760 200.761 1.00 33.72 H +ATOM 1824 HD2 TYR A 148 147.797 190.357 200.267 1.00 34.41 H +ATOM 1825 HE1 TYR A 148 151.868 188.591 201.540 1.00 34.85 H +ATOM 1826 HE2 TYR A 148 147.918 188.194 201.044 1.00 43.07 H +ATOM 1827 HH TYR A 148 149.203 186.549 201.826 1.00 28.19 H +ATOM 1828 N THR A 149 151.275 195.115 199.985 1.00 29.55 N +ATOM 1829 CA THR A 149 151.475 196.350 199.237 1.00 33.48 C +ATOM 1830 C THR A 149 151.442 196.018 197.747 1.00 29.74 C +ATOM 1831 O THR A 149 151.380 194.848 197.374 1.00 25.63 O +ATOM 1832 CB THR A 149 152.799 197.054 199.623 1.00 24.85 C +ATOM 1833 OG1 THR A 149 152.814 198.387 199.094 1.00 32.34 O +ATOM 1834 CG2 THR A 149 154.011 196.280 199.118 1.00 22.86 C +ATOM 1835 H THR A 149 152.000 194.730 200.241 1.00 35.47 H +ATOM 1836 HA THR A 149 150.744 196.958 199.427 1.00 40.18 H +ATOM 1837 HB THR A 149 152.859 197.100 200.590 1.00 29.82 H +ATOM 1838 HG1 THR A 149 152.750 198.365 198.257 1.00 38.81 H +ATOM 1839 HG21 THR A 149 154.827 196.741 199.371 1.00 27.43 H +ATOM 1840 HG22 THR A 149 154.019 195.390 199.502 1.00 27.43 H +ATOM 1841 HG23 THR A 149 153.978 196.206 198.151 1.00 27.43 H +ATOM 1842 N ARG A 150 151.462 197.044 196.903 1.00 28.69 N +ATOM 1843 CA ARG A 150 151.374 196.851 195.460 1.00 33.17 C +ATOM 1844 C ARG A 150 152.464 197.590 194.690 1.00 35.91 C +ATOM 1845 O ARG A 150 152.743 198.759 194.947 1.00 33.13 O +ATOM 1846 CB ARG A 150 149.997 197.295 194.969 1.00 29.74 C +ATOM 1847 CG ARG A 150 148.889 196.329 195.340 1.00 31.71 C +ATOM 1848 CD ARG A 150 148.905 195.114 194.429 1.00 31.73 C +ATOM 1849 NE ARG A 150 148.285 195.405 193.140 1.00 31.47 N +ATOM 1850 CZ ARG A 150 146.981 195.320 192.899 1.00 32.61 C +ATOM 1851 NH1 ARG A 150 146.141 194.949 193.855 1.00 31.17 N +ATOM 1852 NH2 ARG A 150 146.512 195.608 191.694 1.00 37.15 N +ATOM 1853 H ARG A 150 151.526 197.868 197.142 1.00 34.43 H +ATOM 1854 HA ARG A 150 151.466 195.905 195.267 1.00 39.80 H +ATOM 1855 HB2 ARG A 150 149.786 198.156 195.362 1.00 35.68 H +ATOM 1856 HB3 ARG A 150 150.018 197.369 194.002 1.00 35.68 H +ATOM 1857 HG2 ARG A 150 149.016 196.028 196.253 1.00 38.05 H +ATOM 1858 HG3 ARG A 150 148.031 196.771 195.245 1.00 38.05 H +ATOM 1859 HD2 ARG A 150 149.823 194.845 194.271 1.00 38.08 H +ATOM 1860 HD3 ARG A 150 148.410 194.393 194.849 1.00 38.08 H +ATOM 1861 HE ARG A 150 148.798 195.648 192.494 1.00 37.77 H +ATOM 1862 HH11 ARG A 150 146.438 194.761 194.640 1.00 37.41 H +ATOM 1863 HH12 ARG A 150 145.298 194.896 193.691 1.00 37.41 H +ATOM 1864 HH21 ARG A 150 147.051 195.849 191.069 1.00 44.58 H +ATOM 1865 HH22 ARG A 150 145.669 195.552 191.536 1.00 44.58 H +ATOM 1866 N ALA A 151 153.081 196.886 193.746 1.00 34.49 N +ATOM 1867 CA ALA A 151 154.106 197.472 192.895 1.00 34.51 C +ATOM 1868 C ALA A 151 153.463 198.340 191.817 1.00 39.81 C +ATOM 1869 O ALA A 151 153.966 199.417 191.498 1.00 42.03 O +ATOM 1870 CB ALA A 151 154.960 196.387 192.269 1.00 37.71 C +ATOM 1871 H ALA A 151 152.922 196.058 193.579 1.00 41.39 H +ATOM 1872 HA ALA A 151 154.682 198.037 193.433 1.00 41.42 H +ATOM 1873 HB1 ALA A 151 155.634 196.801 191.707 1.00 45.26 H +ATOM 1874 HB2 ALA A 151 155.386 195.875 192.974 1.00 45.26 H +ATOM 1875 HB3 ALA A 151 154.394 195.808 191.735 1.00 45.26 H +ATOM 1876 N LEU A 152 152.357 197.856 191.255 1.00 32.69 N +ATOM 1877 CA LEU A 152 151.506 198.661 190.381 1.00 33.70 C +ATOM 1878 C LEU A 152 150.145 198.857 191.033 1.00 36.02 C +ATOM 1879 O LEU A 152 149.605 197.930 191.634 1.00 33.53 O +ATOM 1880 CB LEU A 152 151.330 198.006 189.009 1.00 41.94 C +ATOM 1881 CG LEU A 152 152.468 198.118 187.993 1.00 40.24 C +ATOM 1882 CD1 LEU A 152 152.059 197.426 186.706 1.00 35.55 C +ATOM 1883 CD2 LEU A 152 152.844 199.569 187.723 1.00 33.89 C +ATOM 1884 H LEU A 152 152.075 197.051 191.366 1.00 39.22 H +ATOM 1885 HA LEU A 152 151.911 199.533 190.253 1.00 40.44 H +ATOM 1886 HB2 LEU A 152 151.174 197.059 189.152 1.00 50.32 H +ATOM 1887 HB3 LEU A 152 150.545 198.395 188.594 1.00 50.32 H +ATOM 1888 HG LEU A 152 153.251 197.664 188.342 1.00 48.29 H +ATOM 1889 HD11 LEU A 152 152.783 197.500 186.065 1.00 42.66 H +ATOM 1890 HD12 LEU A 152 151.876 196.492 186.894 1.00 42.66 H +ATOM 1891 HD13 LEU A 152 151.262 197.856 186.357 1.00 42.66 H +ATOM 1892 HD21 LEU A 152 153.566 199.593 187.076 1.00 40.67 H +ATOM 1893 HD22 LEU A 152 152.070 200.036 187.372 1.00 40.67 H +ATOM 1894 HD23 LEU A 152 153.131 199.980 188.554 1.00 40.67 H +ATOM 1895 N PRO A 153 149.575 200.062 190.908 1.00 37.54 N +ATOM 1896 CA PRO A 153 148.282 200.293 191.556 1.00 33.15 C +ATOM 1897 C PRO A 153 147.167 199.499 190.890 1.00 37.63 C +ATOM 1898 O PRO A 153 147.329 199.071 189.746 1.00 37.41 O +ATOM 1899 CB PRO A 153 148.069 201.797 191.384 1.00 32.13 C +ATOM 1900 CG PRO A 153 148.836 202.146 190.161 1.00 32.18 C +ATOM 1901 CD PRO A 153 150.024 201.232 190.134 1.00 33.63 C +ATOM 1902 HA PRO A 153 148.326 200.073 192.499 1.00 39.78 H +ATOM 1903 HB2 PRO A 153 147.125 201.983 191.263 1.00 38.55 H +ATOM 1904 HB3 PRO A 153 148.418 202.269 192.156 1.00 38.55 H +ATOM 1905 HG2 PRO A 153 148.280 202.003 189.379 1.00 38.62 H +ATOM 1906 HG3 PRO A 153 149.121 203.072 190.212 1.00 38.62 H +ATOM 1907 HD2 PRO A 153 150.232 200.975 189.222 1.00 40.36 H +ATOM 1908 HD3 PRO A 153 150.783 201.652 190.567 1.00 40.36 H +ATOM 1909 N PRO A 154 146.051 199.292 191.600 1.00 36.50 N +ATOM 1910 CA PRO A 154 144.903 198.600 191.009 1.00 41.60 C +ATOM 1911 C PRO A 154 144.306 199.371 189.842 1.00 45.37 C +ATOM 1912 O PRO A 154 144.343 200.602 189.834 1.00 37.21 O +ATOM 1913 CB PRO A 154 143.906 198.515 192.170 1.00 38.67 C +ATOM 1914 CG PRO A 154 144.312 199.604 193.102 1.00 41.44 C +ATOM 1915 CD PRO A 154 145.799 199.674 192.998 1.00 35.14 C +ATOM 1916 HA PRO A 154 145.149 197.706 190.722 1.00 49.91 H +ATOM 1917 HB2 PRO A 154 143.006 198.662 191.840 1.00 46.41 H +ATOM 1918 HB3 PRO A 154 143.978 197.649 192.601 1.00 46.41 H +ATOM 1919 HG2 PRO A 154 143.908 200.440 192.822 1.00 49.73 H +ATOM 1920 HG3 PRO A 154 144.041 199.378 194.005 1.00 49.73 H +ATOM 1921 HD2 PRO A 154 146.109 200.578 193.164 1.00 42.17 H +ATOM 1922 HD3 PRO A 154 146.212 199.038 193.604 1.00 42.17 H +ATOM 1923 N VAL A 155 143.774 198.648 188.865 1.00 51.02 N +ATOM 1924 CA VAL A 155 143.023 199.270 187.787 1.00 52.14 C +ATOM 1925 C VAL A 155 141.814 199.961 188.412 1.00 45.47 C +ATOM 1926 O VAL A 155 141.085 199.332 189.177 1.00 53.90 O +ATOM 1927 CB VAL A 155 142.561 198.242 186.736 1.00 50.37 C +ATOM 1928 CG1 VAL A 155 141.786 198.925 185.608 1.00 54.43 C +ATOM 1929 CG2 VAL A 155 143.755 197.478 186.178 1.00 42.39 C +ATOM 1930 H VAL A 155 143.835 197.792 188.804 1.00 61.22 H +ATOM 1931 HA VAL A 155 143.572 199.939 187.348 1.00 62.57 H +ATOM 1932 HB VAL A 155 141.968 197.602 187.160 1.00 60.45 H +ATOM 1933 HG11 VAL A 155 141.510 198.255 184.964 1.00 65.32 H +ATOM 1934 HG12 VAL A 155 141.008 199.366 185.983 1.00 65.32 H +ATOM 1935 HG13 VAL A 155 142.363 199.578 185.180 1.00 65.32 H +ATOM 1936 HG21 VAL A 155 143.441 196.838 185.520 1.00 50.87 H +ATOM 1937 HG22 VAL A 155 144.366 198.107 185.763 1.00 50.87 H +ATOM 1938 HG23 VAL A 155 144.200 197.015 186.905 1.00 50.87 H +ATOM 1939 N PRO A 156 141.602 201.257 188.112 1.00 45.08 N +ATOM 1940 CA PRO A 156 140.433 201.930 188.694 1.00 59.60 C +ATOM 1941 C PRO A 156 139.126 201.204 188.387 1.00 60.65 C +ATOM 1942 O PRO A 156 139.056 200.420 187.443 1.00 58.05 O +ATOM 1943 CB PRO A 156 140.459 203.327 188.054 1.00 60.95 C +ATOM 1944 CG PRO A 156 141.547 203.310 187.035 1.00 52.97 C +ATOM 1945 CD PRO A 156 142.464 202.191 187.369 1.00 46.39 C +ATOM 1946 HA PRO A 156 140.536 202.014 189.655 1.00 71.52 H +ATOM 1947 HB2 PRO A 156 139.603 203.504 187.633 1.00 73.14 H +ATOM 1948 HB3 PRO A 156 140.644 203.991 188.737 1.00 73.14 H +ATOM 1949 HG2 PRO A 156 141.160 203.174 186.156 1.00 63.56 H +ATOM 1950 HG3 PRO A 156 142.025 204.154 187.064 1.00 63.56 H +ATOM 1951 HD2 PRO A 156 142.797 201.774 186.560 1.00 55.67 H +ATOM 1952 HD3 PRO A 156 143.188 202.505 187.933 1.00 55.67 H +ATOM 1953 N ASP A 157 138.103 201.469 189.191 1.00 76.52 N +ATOM 1954 CA ASP A 157 136.872 200.689 189.154 1.00 85.74 C +ATOM 1955 C ASP A 157 136.115 200.842 187.840 1.00 85.55 C +ATOM 1956 O ASP A 157 135.990 199.884 187.077 1.00 87.01 O +ATOM 1957 CB ASP A 157 135.975 201.084 190.327 1.00 89.93 C +ATOM 1958 CG ASP A 157 136.638 200.845 191.670 1.00 95.36 C +ATOM 1959 OD1 ASP A 157 137.291 199.791 191.830 1.00 90.82 O +ATOM 1960 OD2 ASP A 157 136.518 201.712 192.560 1.00 88.79 O +ATOM 1961 H ASP A 157 138.096 202.103 189.773 1.00 91.83 H +ATOM 1962 HA ASP A 157 137.097 199.751 189.257 1.00102.89 H +ATOM 1963 HB2 ASP A 157 135.763 202.028 190.260 1.00107.92 H +ATOM 1964 HB3 ASP A 157 135.161 200.557 190.295 1.00107.92 H +ATOM 1965 N ASP A 158 135.605 202.040 187.578 1.00 82.59 N +ATOM 1966 CA ASP A 158 134.810 202.271 186.378 1.00 88.82 C +ATOM 1967 C ASP A 158 135.729 202.442 185.171 1.00 79.11 C +ATOM 1968 O ASP A 158 135.989 203.561 184.727 1.00 88.57 O +ATOM 1969 CB ASP A 158 133.901 203.496 186.556 1.00105.81 C +ATOM 1970 CG ASP A 158 132.666 203.446 185.670 1.00121.76 C +ATOM 1971 OD1 ASP A 158 132.130 202.340 185.448 1.00125.47 O +ATOM 1972 OD2 ASP A 158 132.226 204.517 185.201 1.00127.22 O +ATOM 1973 H ASP A 158 135.704 202.734 188.077 1.00 99.11 H +ATOM 1974 HA ASP A 158 134.245 201.499 186.219 1.00106.59 H +ATOM 1975 HB2 ASP A 158 133.607 203.539 187.480 1.00126.97 H +ATOM 1976 HB3 ASP A 158 134.401 204.296 186.330 1.00126.97 H +ATOM 1977 N CYS A 159 136.221 201.319 184.654 1.00 58.94 N +ATOM 1978 CA CYS A 159 137.076 201.314 183.472 1.00 68.35 C +ATOM 1979 C CYS A 159 136.405 200.572 182.320 1.00 66.44 C +ATOM 1980 O CYS A 159 135.601 199.670 182.551 1.00 63.66 O +ATOM 1981 CB CYS A 159 138.426 200.670 183.784 1.00 71.14 C +ATOM 1982 SG CYS A 159 139.632 201.811 184.475 1.00 70.77 S +ATOM 1983 H CYS A 159 136.071 200.535 184.976 1.00 70.73 H +ATOM 1984 HA CYS A 159 137.235 202.228 183.190 1.00 82.02 H +ATOM 1985 HB2 CYS A 159 138.290 199.956 184.427 1.00 85.37 H +ATOM 1986 HB3 CYS A 159 138.796 200.307 182.964 1.00 85.37 H +ATOM 1987 N PRO A 160 136.736 200.948 181.072 1.00 55.53 N +ATOM 1988 CA PRO A 160 136.184 200.273 179.891 1.00 62.79 C +ATOM 1989 C PRO A 160 136.350 198.757 179.934 1.00 68.02 C +ATOM 1990 O PRO A 160 135.470 198.032 179.470 1.00 85.18 O +ATOM 1991 CB PRO A 160 136.991 200.878 178.742 1.00 69.69 C +ATOM 1992 CG PRO A 160 137.354 202.230 179.226 1.00 57.25 C +ATOM 1993 CD PRO A 160 137.598 202.083 180.694 1.00 58.67 C +ATOM 1994 HA PRO A 160 135.246 200.495 179.781 1.00 75.35 H +ATOM 1995 HB2 PRO A 160 137.784 200.344 178.579 1.00 83.63 H +ATOM 1996 HB3 PRO A 160 136.440 200.933 177.946 1.00 83.63 H +ATOM 1997 HG2 PRO A 160 138.158 202.531 178.775 1.00 68.70 H +ATOM 1998 HG3 PRO A 160 136.620 202.842 179.062 1.00 68.70 H +ATOM 1999 HD2 PRO A 160 138.529 201.871 180.863 1.00 70.40 H +ATOM 2000 HD3 PRO A 160 137.325 202.886 181.164 1.00 70.40 H +ATOM 2001 N THR A 161 137.468 198.293 180.482 1.00 71.47 N +ATOM 2002 CA THR A 161 137.715 196.866 180.638 1.00 69.08 C +ATOM 2003 C THR A 161 138.342 196.603 182.004 1.00 64.82 C +ATOM 2004 O THR A 161 138.824 197.530 182.653 1.00 64.73 O +ATOM 2005 CB THR A 161 138.643 196.317 179.534 1.00 68.08 C +ATOM 2006 OG1 THR A 161 140.000 196.671 179.823 1.00 65.10 O +ATOM 2007 CG2 THR A 161 138.252 196.869 178.172 1.00 86.01 C +ATOM 2008 H THR A 161 138.106 198.791 180.774 1.00 85.76 H +ATOM 2009 HA THR A 161 136.872 196.388 180.593 1.00 82.89 H +ATOM 2010 HB THR A 161 138.565 195.351 179.503 1.00 81.70 H +ATOM 2011 HG1 THR A 161 140.508 196.374 179.223 1.00 78.13 H +ATOM 2012 HG21 THR A 161 138.844 196.515 177.490 1.00103.21 H +ATOM 2013 HG22 THR A 161 137.340 196.615 177.961 1.00103.21 H +ATOM 2014 HG23 THR A 161 138.318 197.837 178.175 1.00103.21 H +ATOM 2015 N PRO A 162 138.328 195.337 182.449 1.00 55.40 N +ATOM 2016 CA PRO A 162 138.926 194.959 183.734 1.00 55.60 C +ATOM 2017 C PRO A 162 140.382 195.396 183.880 1.00 53.80 C +ATOM 2018 O PRO A 162 140.789 195.801 184.968 1.00 57.61 O +ATOM 2019 CB PRO A 162 138.816 193.433 183.726 1.00 51.92 C +ATOM 2020 CG PRO A 162 137.629 193.157 182.887 1.00 59.06 C +ATOM 2021 CD PRO A 162 137.644 194.198 181.812 1.00 51.55 C +ATOM 2022 HA PRO A 162 138.405 195.318 184.469 1.00 66.72 H +ATOM 2023 HB2 PRO A 162 139.614 193.048 183.333 1.00 62.30 H +ATOM 2024 HB3 PRO A 162 138.683 193.108 184.630 1.00 62.30 H +ATOM 2025 HG2 PRO A 162 137.701 192.269 182.504 1.00 70.87 H +ATOM 2026 HG3 PRO A 162 136.826 193.234 183.426 1.00 70.87 H +ATOM 2027 HD2 PRO A 162 138.149 193.885 181.046 1.00 61.86 H +ATOM 2028 HD3 PRO A 162 136.738 194.442 181.565 1.00 61.86 H +ATOM 2029 N LEU A 163 141.147 195.317 182.796 1.00 47.59 N +ATOM 2030 CA LEU A 163 142.568 195.647 182.829 1.00 42.67 C +ATOM 2031 C LEU A 163 142.823 197.121 182.542 1.00 44.41 C +ATOM 2032 O LEU A 163 143.930 197.616 182.745 1.00 51.58 O +ATOM 2033 CB LEU A 163 143.332 194.791 181.820 1.00 46.38 C +ATOM 2034 CG LEU A 163 143.247 193.280 182.033 1.00 53.79 C +ATOM 2035 CD1 LEU A 163 143.952 192.555 180.908 1.00 66.68 C +ATOM 2036 CD2 LEU A 163 143.835 192.879 183.376 1.00 48.44 C +ATOM 2037 H LEU A 163 140.864 195.072 182.021 1.00 57.11 H +ATOM 2038 HA LEU A 163 142.916 195.450 183.713 1.00 51.20 H +ATOM 2039 HB2 LEU A 163 142.984 194.979 180.935 1.00 55.66 H +ATOM 2040 HB3 LEU A 163 144.269 195.037 181.858 1.00 55.66 H +ATOM 2041 HG LEU A 163 142.314 193.012 182.024 1.00 64.55 H +ATOM 2042 HD11 LEU A 163 143.888 191.599 181.059 1.00 80.02 H +ATOM 2043 HD12 LEU A 163 143.525 192.786 180.068 1.00 80.02 H +ATOM 2044 HD13 LEU A 163 144.883 192.826 180.892 1.00 80.02 H +ATOM 2045 HD21 LEU A 163 143.765 191.917 183.477 1.00 58.13 H +ATOM 2046 HD22 LEU A 163 144.767 193.148 183.404 1.00 58.13 H +ATOM 2047 HD23 LEU A 163 143.341 193.324 184.082 1.00 58.13 H +ATOM 2048 N GLY A 164 141.794 197.815 182.068 1.00 54.65 N +ATOM 2049 CA GLY A 164 141.906 199.222 181.735 1.00 65.16 C +ATOM 2050 C GLY A 164 141.071 199.544 180.512 1.00 66.46 C +ATOM 2051 O GLY A 164 139.871 199.784 180.621 1.00 63.99 O +ATOM 2052 H GLY A 164 141.012 197.485 181.929 1.00 65.58 H +ATOM 2053 HA2 GLY A 164 141.595 199.762 182.478 1.00 78.19 H +ATOM 2054 HA3 GLY A 164 142.832 199.445 181.550 1.00 78.19 H +ATOM 2055 N VAL A 165 141.715 199.545 179.347 1.00 74.31 N +ATOM 2056 CA VAL A 165 141.029 199.749 178.074 1.00 66.99 C +ATOM 2057 C VAL A 165 141.211 198.536 177.167 1.00 63.01 C +ATOM 2058 O VAL A 165 140.345 198.223 176.352 1.00 70.51 O +ATOM 2059 CB VAL A 165 141.538 201.013 177.344 1.00 64.02 C +ATOM 2060 CG1 VAL A 165 141.205 202.261 178.146 1.00 52.31 C +ATOM 2061 CG2 VAL A 165 143.037 200.925 177.084 1.00 50.79 C +ATOM 2062 H VAL A 165 142.563 199.427 179.267 1.00 89.17 H +ATOM 2063 HA VAL A 165 140.080 199.860 178.241 1.00 80.39 H +ATOM 2064 HB VAL A 165 141.090 201.082 176.487 1.00 76.83 H +ATOM 2065 HG11 VAL A 165 141.534 203.039 177.669 1.00 62.77 H +ATOM 2066 HG12 VAL A 165 140.243 202.320 178.254 1.00 62.77 H +ATOM 2067 HG13 VAL A 165 141.632 202.201 179.015 1.00 62.77 H +ATOM 2068 HG21 VAL A 165 143.325 201.730 176.626 1.00 60.95 H +ATOM 2069 HG22 VAL A 165 143.500 200.842 177.932 1.00 60.95 H +ATOM 2070 HG23 VAL A 165 143.216 200.148 176.531 1.00 60.95 H +ATOM 2071 N LYS A 166 142.341 197.855 177.319 1.00 68.77 N +ATOM 2072 CA LYS A 166 142.659 196.691 176.499 1.00 61.32 C +ATOM 2073 C LYS A 166 141.812 195.479 176.881 1.00 61.61 C +ATOM 2074 O LYS A 166 141.258 195.417 177.978 1.00 59.30 O +ATOM 2075 CB LYS A 166 144.144 196.346 176.628 1.00 65.83 C +ATOM 2076 CG LYS A 166 145.085 197.425 176.115 1.00 65.71 C +ATOM 2077 CD LYS A 166 145.023 197.541 174.602 1.00 90.54 C +ATOM 2078 CE LYS A 166 146.063 198.514 174.074 1.00 90.32 C +ATOM 2079 NZ LYS A 166 146.056 198.577 172.585 1.00112.55 N +ATOM 2080 H LYS A 166 142.948 198.049 177.897 1.00 82.52 H +ATOM 2081 HA LYS A 166 142.479 196.902 175.569 1.00 73.58 H +ATOM 2082 HB2 LYS A 166 144.349 196.197 177.564 1.00 78.99 H +ATOM 2083 HB3 LYS A 166 144.320 195.537 176.122 1.00 78.99 H +ATOM 2084 HG2 LYS A 166 144.830 198.280 176.496 1.00 78.85 H +ATOM 2085 HG3 LYS A 166 145.995 197.203 176.366 1.00 78.85 H +ATOM 2086 HD2 LYS A 166 145.193 196.671 174.208 1.00108.64 H +ATOM 2087 HD3 LYS A 166 144.146 197.862 174.341 1.00108.64 H +ATOM 2088 HE2 LYS A 166 145.872 199.402 174.415 1.00108.39 H +ATOM 2089 HE3 LYS A 166 146.944 198.227 174.360 1.00108.39 H +ATOM 2090 HZ1 LYS A 166 146.672 199.153 172.302 1.00135.07 H +ATOM 2091 HZ2 LYS A 166 146.233 197.774 172.245 1.00135.07 H +ATOM 2092 HZ3 LYS A 166 145.257 198.843 172.296 1.00135.07 H +ATOM 2093 N GLY A 167 141.717 194.520 175.966 1.00 65.42 N +ATOM 2094 CA GLY A 167 140.991 193.289 176.218 1.00 69.61 C +ATOM 2095 C GLY A 167 139.496 193.431 176.004 1.00 71.50 C +ATOM 2096 O GLY A 167 139.007 194.508 175.664 1.00 70.16 O +ATOM 2097 H GLY A 167 142.070 194.563 175.183 1.00 78.50 H +ATOM 2098 HA2 GLY A 167 141.320 192.595 175.625 1.00 83.53 H +ATOM 2099 HA3 GLY A 167 141.144 193.007 177.133 1.00 83.53 H +ATOM 2100 N LYS A 168 138.772 192.334 176.201 1.00 78.61 N +ATOM 2101 CA LYS A 168 137.318 192.338 176.096 1.00 65.04 C +ATOM 2102 C LYS A 168 136.703 192.853 177.393 1.00 76.83 C +ATOM 2103 O LYS A 168 137.400 193.020 178.394 1.00 81.18 O +ATOM 2104 CB LYS A 168 136.797 190.935 175.780 1.00 60.13 C +ATOM 2105 H LYS A 168 139.104 191.566 176.400 1.00 94.33 H +ATOM 2106 HA LYS A 168 137.051 192.931 175.376 1.00 78.04 H +ATOM 2107 N LYS A 169 135.398 193.105 177.372 1.00 78.44 N +ATOM 2108 CA LYS A 169 134.699 193.616 178.546 1.00 76.28 C +ATOM 2109 C LYS A 169 134.750 192.605 179.687 1.00 70.36 C +ATOM 2110 O LYS A 169 134.748 192.977 180.860 1.00 74.67 O +ATOM 2111 CB LYS A 169 133.246 193.948 178.204 1.00 76.14 C +ATOM 2112 H LYS A 169 134.892 192.989 176.686 1.00 94.13 H +ATOM 2113 HA LYS A 169 135.133 194.431 178.845 1.00 91.54 H +ATOM 2114 N GLN A 170 134.794 191.327 179.326 1.00 59.21 N +ATOM 2115 CA GLN A 170 134.849 190.240 180.298 1.00 66.49 C +ATOM 2116 C GLN A 170 136.098 189.399 180.071 1.00 72.16 C +ATOM 2117 O GLN A 170 136.393 189.006 178.941 1.00 62.43 O +ATOM 2118 CB GLN A 170 133.597 189.367 180.193 1.00 69.07 C +ATOM 2119 CG GLN A 170 133.462 188.330 181.296 1.00 80.28 C +ATOM 2120 CD GLN A 170 132.328 187.357 181.041 1.00 90.68 C +ATOM 2121 OE1 GLN A 170 132.421 186.495 180.167 1.00 95.33 O +ATOM 2122 NE2 GLN A 170 131.248 187.494 181.801 1.00 93.26 N +ATOM 2123 H GLN A 170 134.792 191.059 178.509 1.00 71.05 H +ATOM 2124 HA GLN A 170 134.889 190.612 181.193 1.00 79.79 H +ATOM 2125 HB2 GLN A 170 132.815 189.940 180.231 1.00 82.89 H +ATOM 2126 HB3 GLN A 170 133.616 188.896 179.346 1.00 82.89 H +ATOM 2127 HG2 GLN A 170 134.287 187.823 181.355 1.00 96.33 H +ATOM 2128 HG3 GLN A 170 133.288 188.782 182.136 1.00 96.33 H +ATOM 2129 HE21 GLN A 170 131.219 188.110 182.400 1.00111.91 H +ATOM 2130 HE22 GLN A 170 130.578 186.965 181.695 1.00111.91 H +ATOM 2131 N LEU A 171 136.834 189.135 181.145 1.00 67.16 N +ATOM 2132 CA LEU A 171 138.034 188.315 181.053 1.00 53.80 C +ATOM 2133 C LEU A 171 137.657 186.867 180.759 1.00 52.95 C +ATOM 2134 O LEU A 171 136.572 186.420 181.130 1.00 57.54 O +ATOM 2135 CB LEU A 171 138.846 188.398 182.346 1.00 64.38 C +ATOM 2136 CG LEU A 171 139.539 189.735 182.609 1.00 53.67 C +ATOM 2137 CD1 LEU A 171 139.977 189.834 184.061 1.00 53.34 C +ATOM 2138 CD2 LEU A 171 140.730 189.916 181.676 1.00 65.38 C +ATOM 2139 H LEU A 171 136.660 189.420 181.937 1.00 80.59 H +ATOM 2140 HA LEU A 171 138.588 188.638 180.325 1.00 64.56 H +ATOM 2141 HB2 LEU A 171 138.251 188.228 183.093 1.00 77.26 H +ATOM 2142 HB3 LEU A 171 139.534 187.715 182.319 1.00 77.26 H +ATOM 2143 HG LEU A 171 138.912 190.455 182.436 1.00 64.41 H +ATOM 2144 HD11 LEU A 171 140.413 190.689 184.202 1.00 64.01 H +ATOM 2145 HD12 LEU A 171 139.195 189.762 184.631 1.00 64.01 H +ATOM 2146 HD13 LEU A 171 140.595 189.111 184.254 1.00 64.01 H +ATOM 2147 HD21 LEU A 171 141.151 190.770 181.864 1.00 78.46 H +ATOM 2148 HD22 LEU A 171 141.362 189.196 181.828 1.00 78.46 H +ATOM 2149 HD23 LEU A 171 140.418 189.895 180.758 1.00 78.46 H +ATOM 2150 N PRO A 172 138.550 186.128 180.084 1.00 54.81 N +ATOM 2151 CA PRO A 172 138.274 184.722 179.765 1.00 56.43 C +ATOM 2152 C PRO A 172 138.013 183.874 181.007 1.00 57.59 C +ATOM 2153 O PRO A 172 138.494 184.205 182.089 1.00 60.61 O +ATOM 2154 CB PRO A 172 139.549 184.263 179.044 1.00 57.18 C +ATOM 2155 CG PRO A 172 140.577 185.303 179.340 1.00 60.11 C +ATOM 2156 CD PRO A 172 139.844 186.573 179.541 1.00 55.69 C +ATOM 2157 HA PRO A 172 137.518 184.653 179.161 1.00 67.72 H +ATOM 2158 HB2 PRO A 172 139.826 183.401 179.391 1.00 68.61 H +ATOM 2159 HB3 PRO A 172 139.382 184.210 178.090 1.00 68.61 H +ATOM 2160 HG2 PRO A 172 141.061 185.059 180.144 1.00 72.13 H +ATOM 2161 HG3 PRO A 172 141.186 185.378 178.588 1.00 72.13 H +ATOM 2162 HD2 PRO A 172 140.307 187.133 180.184 1.00 66.83 H +ATOM 2163 HD3 PRO A 172 139.718 187.029 178.695 1.00 66.83 H +ATOM 2164 N ASP A 173 137.246 182.800 180.843 1.00 62.51 N +ATOM 2165 CA ASP A 173 136.974 181.873 181.935 1.00 63.35 C +ATOM 2166 C ASP A 173 138.282 181.322 182.492 1.00 62.54 C +ATOM 2167 O ASP A 173 139.142 180.867 181.739 1.00 60.75 O +ATOM 2168 CB ASP A 173 136.070 180.735 181.456 1.00 66.49 C +ATOM 2169 CG ASP A 173 136.017 179.581 182.435 1.00 70.72 C +ATOM 2170 OD1 ASP A 173 136.747 178.590 182.226 1.00 72.00 O +ATOM 2171 OD2 ASP A 173 135.248 179.665 183.414 1.00 73.60 O +ATOM 2172 H ASP A 173 136.868 182.586 180.101 1.00 75.01 H +ATOM 2173 HA ASP A 173 136.515 182.344 182.648 1.00 76.02 H +ATOM 2174 HB2 ASP A 173 135.168 181.074 181.342 1.00 79.79 H +ATOM 2175 HB3 ASP A 173 136.407 180.397 180.611 1.00 79.79 H +ATOM 2176 N SER A 174 138.428 181.369 183.812 1.00 63.55 N +ATOM 2177 CA SER A 174 139.697 181.036 184.450 1.00 65.30 C +ATOM 2178 C SER A 174 139.991 179.538 184.409 1.00 67.26 C +ATOM 2179 O SER A 174 141.140 179.134 184.241 1.00 60.28 O +ATOM 2180 CB SER A 174 139.709 181.534 185.899 1.00 68.81 C +ATOM 2181 OG SER A 174 138.604 181.029 186.628 1.00 66.45 O +ATOM 2182 H SER A 174 137.806 181.592 184.363 1.00 76.26 H +ATOM 2183 HA SER A 174 140.412 181.489 183.977 1.00 78.36 H +ATOM 2184 HB2 SER A 174 140.528 181.239 186.326 1.00 82.57 H +ATOM 2185 HB3 SER A 174 139.668 182.503 185.898 1.00 82.57 H +ATOM 2186 HG SER A 174 138.628 181.313 187.419 1.00 79.74 H +ATOM 2187 N ASN A 175 138.958 178.716 184.560 1.00 73.35 N +ATOM 2188 CA ASN A 175 139.129 177.268 184.497 1.00 68.62 C +ATOM 2189 C ASN A 175 139.548 176.823 183.099 1.00 69.56 C +ATOM 2190 O ASN A 175 140.256 175.828 182.937 1.00 53.72 O +ATOM 2191 CB ASN A 175 137.842 176.555 184.913 1.00 66.77 C +ATOM 2192 CG ASN A 175 137.879 175.067 184.623 1.00 65.92 C +ATOM 2193 OD1 ASN A 175 138.575 174.307 185.296 1.00 67.08 O +ATOM 2194 ND2 ASN A 175 137.120 174.643 183.620 1.00 80.34 N +ATOM 2195 H ASN A 175 138.148 178.970 184.699 1.00 88.02 H +ATOM 2196 HA ASN A 175 139.829 177.007 185.116 1.00 82.35 H +ATOM 2197 HB2 ASN A 175 137.709 176.672 185.866 1.00 80.13 H +ATOM 2198 HB3 ASN A 175 137.097 176.938 184.424 1.00 80.13 H +ATOM 2199 HD21 ASN A 175 137.105 173.807 183.415 1.00 96.41 H +ATOM 2200 HD22 ASN A 175 136.643 175.203 183.175 1.00 96.41 H +ATOM 2201 N GLU A 176 139.109 177.570 182.092 1.00 76.73 N +ATOM 2202 CA GLU A 176 139.490 177.298 180.713 1.00 64.23 C +ATOM 2203 C GLU A 176 140.961 177.637 180.487 1.00 62.24 C +ATOM 2204 O GLU A 176 141.671 176.907 179.797 1.00 58.26 O +ATOM 2205 CB GLU A 176 138.603 178.088 179.751 1.00 76.01 C +ATOM 2206 CG GLU A 176 138.859 177.792 178.282 1.00 83.53 C +ATOM 2207 CD GLU A 176 137.820 178.414 177.367 1.00 95.75 C +ATOM 2208 OE1 GLU A 176 136.782 178.893 177.873 1.00 87.57 O +ATOM 2209 OE2 GLU A 176 138.041 178.424 176.139 1.00 95.54 O +ATOM 2210 H GLU A 176 138.585 178.246 182.183 1.00 92.08 H +ATOM 2211 HA GLU A 176 139.366 176.354 180.530 1.00 77.07 H +ATOM 2212 HB2 GLU A 176 137.675 177.876 179.938 1.00 91.22 H +ATOM 2213 HB3 GLU A 176 138.757 179.036 179.892 1.00 91.22 H +ATOM 2214 HG2 GLU A 176 139.727 178.147 178.035 1.00100.24 H +ATOM 2215 HG3 GLU A 176 138.842 176.832 178.146 1.00100.24 H +ATOM 2216 N ILE A 177 141.409 178.745 181.070 1.00 61.98 N +ATOM 2217 CA ILE A 177 142.816 179.123 181.015 1.00 56.22 C +ATOM 2218 C ILE A 177 143.673 178.016 181.610 1.00 55.60 C +ATOM 2219 O ILE A 177 144.722 177.674 181.071 1.00 54.01 O +ATOM 2220 CB ILE A 177 143.086 180.443 181.772 1.00 50.18 C +ATOM 2221 CG1 ILE A 177 142.468 181.620 181.016 1.00 59.00 C +ATOM 2222 CG2 ILE A 177 144.595 180.675 181.957 1.00 47.43 C +ATOM 2223 CD1 ILE A 177 142.566 182.941 181.744 1.00 57.72 C +ATOM 2224 H ILE A 177 140.915 179.297 181.507 1.00 74.38 H +ATOM 2225 HA ILE A 177 143.078 179.245 180.089 1.00 67.46 H +ATOM 2226 HB ILE A 177 142.673 180.387 182.648 1.00 60.21 H +ATOM 2227 HG12 ILE A 177 142.922 181.716 180.165 1.00 70.79 H +ATOM 2228 HG13 ILE A 177 141.527 181.434 180.866 1.00 70.79 H +ATOM 2229 HG21 ILE A 177 144.730 181.509 182.434 1.00 56.91 H +ATOM 2230 HG22 ILE A 177 144.967 179.938 182.467 1.00 56.91 H +ATOM 2231 HG23 ILE A 177 145.017 180.721 181.085 1.00 56.91 H +ATOM 2232 HD11 ILE A 177 142.153 183.631 181.201 1.00 69.26 H +ATOM 2233 HD12 ILE A 177 142.104 182.867 182.594 1.00 69.26 H +ATOM 2234 HD13 ILE A 177 143.501 183.151 181.892 1.00 69.26 H +ATOM 2235 N VAL A 178 143.220 177.463 182.727 1.00 54.10 N +ATOM 2236 CA VAL A 178 143.979 176.441 183.434 1.00 55.28 C +ATOM 2237 C VAL A 178 144.139 175.187 182.584 1.00 54.91 C +ATOM 2238 O VAL A 178 145.258 174.753 182.307 1.00 56.28 O +ATOM 2239 CB VAL A 178 143.306 176.075 184.771 1.00 69.37 C +ATOM 2240 CG1 VAL A 178 143.930 174.831 185.381 1.00 56.52 C +ATOM 2241 CG2 VAL A 178 143.410 177.239 185.742 1.00 61.84 C +ATOM 2242 H VAL A 178 142.470 177.663 183.099 1.00 64.92 H +ATOM 2243 HA VAL A 178 144.865 176.785 183.629 1.00 66.33 H +ATOM 2244 HB VAL A 178 142.366 175.896 184.615 1.00 83.24 H +ATOM 2245 HG11 VAL A 178 143.482 174.632 186.219 1.00 67.82 H +ATOM 2246 HG12 VAL A 178 143.823 174.090 184.764 1.00 67.82 H +ATOM 2247 HG13 VAL A 178 144.872 174.996 185.540 1.00 67.82 H +ATOM 2248 HG21 VAL A 178 142.982 176.993 186.577 1.00 74.21 H +ATOM 2249 HG22 VAL A 178 144.347 177.439 185.897 1.00 74.21 H +ATOM 2250 HG23 VAL A 178 142.966 178.011 185.358 1.00 74.21 H +ATOM 2251 N GLU A 179 143.016 174.607 182.177 1.00 59.46 N +ATOM 2252 CA GLU A 179 143.023 173.358 181.425 1.00 60.89 C +ATOM 2253 C GLU A 179 143.768 173.492 180.099 1.00 54.91 C +ATOM 2254 O GLU A 179 144.574 172.634 179.742 1.00 57.93 O +ATOM 2255 CB GLU A 179 141.588 172.889 181.176 1.00 63.50 C +ATOM 2256 CG GLU A 179 140.848 172.506 182.450 1.00 82.54 C +ATOM 2257 CD GLU A 179 139.427 172.040 182.192 1.00 87.48 C +ATOM 2258 OE1 GLU A 179 138.902 172.297 181.087 1.00 67.99 O +ATOM 2259 OE2 GLU A 179 138.835 171.413 183.097 1.00 95.96 O +ATOM 2260 H GLU A 179 142.229 174.920 182.326 1.00 71.35 H +ATOM 2261 HA GLU A 179 143.472 172.678 181.951 1.00 73.06 H +ATOM 2262 HB2 GLU A 179 141.093 173.605 180.748 1.00 76.20 H +ATOM 2263 HB3 GLU A 179 141.608 172.110 180.598 1.00 76.20 H +ATOM 2264 HG2 GLU A 179 141.325 171.784 182.887 1.00 99.05 H +ATOM 2265 HG3 GLU A 179 140.808 173.279 183.035 1.00 99.05 H +ATOM 2266 N LYS A 180 143.505 174.576 179.381 1.00 59.18 N +ATOM 2267 CA LYS A 180 144.096 174.783 178.063 1.00 60.20 C +ATOM 2268 C LYS A 180 145.592 175.094 178.119 1.00 61.30 C +ATOM 2269 O LYS A 180 146.331 174.731 177.204 1.00 67.92 O +ATOM 2270 CB LYS A 180 143.376 175.920 177.334 1.00 73.00 C +ATOM 2271 CG LYS A 180 141.904 175.666 177.051 1.00 70.72 C +ATOM 2272 CD LYS A 180 141.704 174.741 175.861 1.00 88.61 C +ATOM 2273 CE LYS A 180 140.258 174.751 175.384 1.00 79.22 C +ATOM 2274 NZ LYS A 180 139.811 176.111 174.962 1.00 77.46 N +ATOM 2275 H LYS A 180 142.985 175.212 179.635 1.00 71.01 H +ATOM 2276 HA LYS A 180 143.980 173.974 177.539 1.00 72.24 H +ATOM 2277 HB2 LYS A 180 143.436 176.721 177.877 1.00 87.60 H +ATOM 2278 HB3 LYS A 180 143.816 176.069 176.483 1.00 87.60 H +ATOM 2279 HG2 LYS A 180 141.497 175.252 177.828 1.00 84.86 H +ATOM 2280 HG3 LYS A 180 141.468 176.510 176.855 1.00 84.86 H +ATOM 2281 HD2 LYS A 180 142.268 175.035 175.129 1.00106.34 H +ATOM 2282 HD3 LYS A 180 141.933 173.834 176.118 1.00106.34 H +ATOM 2283 HE2 LYS A 180 140.170 174.155 174.624 1.00 95.06 H +ATOM 2284 HE3 LYS A 180 139.683 174.456 176.108 1.00 95.06 H +ATOM 2285 HZ1 LYS A 180 138.964 176.081 174.690 1.00 92.96 H +ATOM 2286 HZ2 LYS A 180 139.876 176.678 175.645 1.00 92.96 H +ATOM 2287 HZ3 LYS A 180 140.320 176.403 174.293 1.00 92.96 H +ATOM 2288 N LEU A 181 146.035 175.761 179.185 1.00 59.47 N +ATOM 2289 CA LEU A 181 147.392 176.317 179.231 1.00 60.96 C +ATOM 2290 C LEU A 181 148.253 175.858 180.407 1.00 57.41 C +ATOM 2291 O LEU A 181 149.466 175.724 180.263 1.00 52.87 O +ATOM 2292 CB LEU A 181 147.320 177.845 179.256 1.00 49.93 C +ATOM 2293 CG LEU A 181 146.684 178.508 178.035 1.00 55.32 C +ATOM 2294 CD1 LEU A 181 146.423 179.974 178.307 1.00 54.33 C +ATOM 2295 CD2 LEU A 181 147.578 178.343 176.819 1.00 65.77 C +ATOM 2296 H LEU A 181 145.572 175.906 179.894 1.00 71.36 H +ATOM 2297 HA LEU A 181 147.854 176.060 178.418 1.00 73.16 H +ATOM 2298 HB2 LEU A 181 146.804 178.114 180.032 1.00 59.91 H +ATOM 2299 HB3 LEU A 181 148.223 178.191 179.335 1.00 59.91 H +ATOM 2300 HG LEU A 181 145.834 178.079 177.846 1.00 66.38 H +ATOM 2301 HD11 LEU A 181 146.020 180.374 177.521 1.00 65.20 H +ATOM 2302 HD12 LEU A 181 145.822 180.052 179.064 1.00 65.20 H +ATOM 2303 HD13 LEU A 181 147.266 180.412 178.507 1.00 65.20 H +ATOM 2304 HD21 LEU A 181 147.156 178.770 176.057 1.00 78.92 H +ATOM 2305 HD22 LEU A 181 148.435 178.760 176.999 1.00 78.92 H +ATOM 2306 HD23 LEU A 181 147.700 177.397 176.643 1.00 78.92 H +ATOM 2307 N LEU A 182 147.642 175.632 181.567 1.00 59.57 N +ATOM 2308 CA LEU A 182 148.407 175.408 182.795 1.00 52.31 C +ATOM 2309 C LEU A 182 148.403 173.956 183.260 1.00 49.68 C +ATOM 2310 O LEU A 182 149.344 173.504 183.911 1.00 51.45 O +ATOM 2311 CB LEU A 182 147.864 176.296 183.920 1.00 55.88 C +ATOM 2312 CG LEU A 182 147.791 177.797 183.627 1.00 63.70 C +ATOM 2313 CD1 LEU A 182 147.380 178.556 184.879 1.00 63.82 C +ATOM 2314 CD2 LEU A 182 149.113 178.329 183.086 1.00 66.24 C +ATOM 2315 H LEU A 182 146.789 175.603 181.672 1.00 71.48 H +ATOM 2316 HA LEU A 182 149.329 175.663 182.637 1.00 62.77 H +ATOM 2317 HB2 LEU A 182 146.966 176.000 184.133 1.00 67.06 H +ATOM 2318 HB3 LEU A 182 148.433 176.182 184.697 1.00 67.06 H +ATOM 2319 HG LEU A 182 147.112 177.951 182.951 1.00 76.44 H +ATOM 2320 HD11 LEU A 182 147.339 179.504 184.675 1.00 76.59 H +ATOM 2321 HD12 LEU A 182 146.509 178.241 185.167 1.00 76.59 H +ATOM 2322 HD13 LEU A 182 148.036 178.396 185.575 1.00 76.59 H +ATOM 2323 HD21 LEU A 182 149.024 179.280 182.914 1.00 79.49 H +ATOM 2324 HD22 LEU A 182 149.808 178.175 183.745 1.00 79.49 H +ATOM 2325 HD23 LEU A 182 149.328 177.863 182.263 1.00 79.49 H +ATOM 2326 N LEU A 183 147.346 173.227 182.925 1.00 54.63 N +ATOM 2327 CA LEU A 183 147.167 171.870 183.426 1.00 61.64 C +ATOM 2328 C LEU A 183 148.178 170.895 182.822 1.00 61.19 C +ATOM 2329 O LEU A 183 148.363 170.847 181.604 1.00 65.85 O +ATOM 2330 CB LEU A 183 145.742 171.399 183.141 1.00 59.93 C +ATOM 2331 CG LEU A 183 145.326 170.036 183.696 1.00 57.96 C +ATOM 2332 CD1 LEU A 183 145.483 169.981 185.211 1.00 73.69 C +ATOM 2333 CD2 LEU A 183 143.892 169.751 183.297 1.00 56.18 C +ATOM 2334 H LEU A 183 146.715 173.496 182.406 1.00 65.56 H +ATOM 2335 HA LEU A 183 147.294 171.872 184.387 1.00 73.96 H +ATOM 2336 HB2 LEU A 183 145.129 172.054 183.511 1.00 71.91 H +ATOM 2337 HB3 LEU A 183 145.624 171.361 182.179 1.00 71.91 H +ATOM 2338 HG LEU A 183 145.890 169.349 183.309 1.00 69.55 H +ATOM 2339 HD11 LEU A 183 145.211 169.105 185.525 1.00 88.43 H +ATOM 2340 HD12 LEU A 183 146.413 170.140 185.438 1.00 88.43 H +ATOM 2341 HD13 LEU A 183 144.924 170.665 185.611 1.00 88.43 H +ATOM 2342 HD21 LEU A 183 143.633 168.886 183.651 1.00 67.42 H +ATOM 2343 HD22 LEU A 183 143.319 170.443 183.662 1.00 67.42 H +ATOM 2344 HD23 LEU A 183 143.830 169.745 182.329 1.00 67.42 H +ATOM 2345 N ARG A 184 148.826 170.118 183.685 1.00 56.50 N +ATOM 2346 CA ARG A 184 149.840 169.157 183.262 1.00 62.42 C +ATOM 2347 C ARG A 184 149.259 168.011 182.445 1.00 59.78 C +ATOM 2348 O ARG A 184 148.260 167.405 182.829 1.00 60.66 O +ATOM 2349 CB ARG A 184 150.568 168.586 184.481 1.00 58.47 C +ATOM 2350 CG ARG A 184 151.513 167.432 184.168 1.00 56.67 C +ATOM 2351 CD ARG A 184 152.224 166.958 185.419 1.00 59.65 C +ATOM 2352 NE ARG A 184 153.062 168.003 185.999 1.00 60.27 N +ATOM 2353 CZ ARG A 184 153.606 167.941 187.209 1.00 56.48 C +ATOM 2354 NH1 ARG A 184 153.398 166.885 187.984 1.00 67.46 N +ATOM 2355 NH2 ARG A 184 154.356 168.940 187.649 1.00 54.69 N +ATOM 2356 H ARG A 184 148.693 170.129 184.535 1.00 67.80 H +ATOM 2357 HA ARG A 184 150.494 169.614 182.711 1.00 74.91 H +ATOM 2358 HB2 ARG A 184 151.091 169.293 184.889 1.00 70.16 H +ATOM 2359 HB3 ARG A 184 149.907 168.262 185.113 1.00 70.16 H +ATOM 2360 HG2 ARG A 184 151.006 166.690 183.805 1.00 68.00 H +ATOM 2361 HG3 ARG A 184 152.182 167.728 183.531 1.00 68.00 H +ATOM 2362 HD2 ARG A 184 151.564 166.697 186.081 1.00 71.58 H +ATOM 2363 HD3 ARG A 184 152.791 166.203 185.196 1.00 71.58 H +ATOM 2364 HE ARG A 184 153.215 168.704 185.525 1.00 72.32 H +ATOM 2365 HH11 ARG A 184 152.912 166.234 187.702 1.00 80.96 H +ATOM 2366 HH12 ARG A 184 153.751 166.849 188.767 1.00 80.96 H +ATOM 2367 HH21 ARG A 184 154.492 169.628 187.150 1.00 65.63 H +ATOM 2368 HH22 ARG A 184 154.707 168.902 188.433 1.00 65.63 H +ATOM 2369 N ARG A 185 149.903 167.719 181.321 1.00 64.08 N +ATOM 2370 CA ARG A 185 149.569 166.551 180.514 1.00 70.83 C +ATOM 2371 C ARG A 185 150.542 165.421 180.840 1.00 58.23 C +ATOM 2372 O ARG A 185 150.147 164.383 181.365 1.00 68.62 O +ATOM 2373 CB ARG A 185 149.607 166.896 179.024 1.00 59.73 C +ATOM 2374 CG ARG A 185 148.393 167.689 178.557 1.00 61.32 C +ATOM 2375 CD ARG A 185 148.787 168.942 177.796 1.00 69.04 C +ATOM 2376 NE ARG A 185 147.617 169.655 177.288 1.00 78.03 N +ATOM 2377 CZ ARG A 185 146.887 170.511 177.997 1.00 82.61 C +ATOM 2378 NH1 ARG A 185 147.195 170.776 179.260 1.00 84.25 N +ATOM 2379 NH2 ARG A 185 145.841 171.107 177.441 1.00 85.43 N +ATOM 2380 H ARG A 185 150.548 168.189 181.000 1.00 76.89 H +ATOM 2381 HA ARG A 185 148.673 166.254 180.735 1.00 84.99 H +ATOM 2382 HB2 ARG A 185 150.398 167.429 178.845 1.00 71.67 H +ATOM 2383 HB3 ARG A 185 149.641 166.073 178.512 1.00 71.67 H +ATOM 2384 HG2 ARG A 185 147.858 167.134 177.969 1.00 73.58 H +ATOM 2385 HG3 ARG A 185 147.872 167.957 179.330 1.00 73.58 H +ATOM 2386 HD2 ARG A 185 149.271 169.537 178.389 1.00 82.84 H +ATOM 2387 HD3 ARG A 185 149.343 168.695 177.041 1.00 82.84 H +ATOM 2388 HE ARG A 185 147.384 169.510 176.473 1.00 93.64 H +ATOM 2389 HH11 ARG A 185 147.872 170.393 179.627 1.00101.10 H +ATOM 2390 HH12 ARG A 185 146.718 171.331 179.712 1.00101.10 H +ATOM 2391 HH21 ARG A 185 145.636 170.940 176.623 1.00102.51 H +ATOM 2392 HH22 ARG A 185 145.369 171.661 177.899 1.00102.51 H +ATOM 2393 N LYS A 186 151.814 165.638 180.524 1.00 64.79 N +ATOM 2394 CA LYS A 186 152.891 164.749 180.945 1.00 68.08 C +ATOM 2395 C LYS A 186 153.861 165.544 181.807 1.00 69.62 C +ATOM 2396 O LYS A 186 154.062 166.736 181.578 1.00 66.59 O +ATOM 2397 CB LYS A 186 153.606 164.143 179.734 1.00 76.73 C +ATOM 2398 CG LYS A 186 154.919 163.436 180.056 1.00 87.34 C +ATOM 2399 CD LYS A 186 155.584 162.908 178.792 1.00103.06 C +ATOM 2400 CE LYS A 186 157.065 162.628 179.011 1.00 99.73 C +ATOM 2401 NZ LYS A 186 157.772 162.332 177.735 1.00 83.56 N +ATOM 2402 H LYS A 186 152.085 166.307 180.056 1.00 77.75 H +ATOM 2403 HA LYS A 186 152.525 164.027 181.479 1.00 81.69 H +ATOM 2404 HB2 LYS A 186 153.016 163.493 179.321 1.00 92.07 H +ATOM 2405 HB3 LYS A 186 153.802 164.853 179.104 1.00 92.07 H +ATOM 2406 HG2 LYS A 186 155.526 164.062 180.481 1.00104.80 H +ATOM 2407 HG3 LYS A 186 154.744 162.685 180.645 1.00104.80 H +ATOM 2408 HD2 LYS A 186 155.155 162.079 178.527 1.00123.67 H +ATOM 2409 HD3 LYS A 186 155.501 163.569 178.088 1.00123.67 H +ATOM 2410 HE2 LYS A 186 157.481 163.407 179.414 1.00119.68 H +ATOM 2411 HE3 LYS A 186 157.161 161.859 179.595 1.00119.68 H +ATOM 2412 HZ1 LYS A 186 158.634 162.173 177.894 1.00100.27 H +ATOM 2413 HZ2 LYS A 186 157.413 161.616 177.347 1.00100.27 H +ATOM 2414 HZ3 LYS A 186 157.704 163.026 177.181 1.00100.27 H +ATOM 2415 N PHE A 187 154.452 164.889 182.801 1.00 60.27 N +ATOM 2416 CA PHE A 187 155.360 165.564 183.721 1.00 58.47 C +ATOM 2417 C PHE A 187 156.587 166.101 182.994 1.00 61.53 C +ATOM 2418 O PHE A 187 157.252 165.373 182.259 1.00 64.41 O +ATOM 2419 CB PHE A 187 155.795 164.619 184.843 1.00 66.07 C +ATOM 2420 CG PHE A 187 156.815 165.215 185.773 1.00 69.24 C +ATOM 2421 CD1 PHE A 187 156.439 166.135 186.737 1.00 74.90 C +ATOM 2422 CD2 PHE A 187 158.147 164.852 185.685 1.00 54.35 C +ATOM 2423 CE1 PHE A 187 157.374 166.686 187.594 1.00 63.32 C +ATOM 2424 CE2 PHE A 187 159.086 165.399 186.540 1.00 63.57 C +ATOM 2425 CZ PHE A 187 158.698 166.317 187.495 1.00 61.09 C +ATOM 2426 H PHE A 187 154.342 164.052 182.965 1.00 72.33 H +ATOM 2427 HA PHE A 187 154.899 166.316 184.124 1.00 70.17 H +ATOM 2428 HB2 PHE A 187 155.016 164.381 185.370 1.00 79.28 H +ATOM 2429 HB3 PHE A 187 156.182 163.822 184.449 1.00 79.28 H +ATOM 2430 HD1 PHE A 187 155.547 166.388 186.807 1.00 89.88 H +ATOM 2431 HD2 PHE A 187 158.415 164.235 185.043 1.00 65.23 H +ATOM 2432 HE1 PHE A 187 157.109 167.304 188.236 1.00 75.98 H +ATOM 2433 HE2 PHE A 187 159.979 165.149 186.471 1.00 76.28 H +ATOM 2434 HZ PHE A 187 159.328 166.686 188.071 1.00 73.30 H +ATOM 2435 N ILE A 188 156.875 167.380 183.214 1.00 55.85 N +ATOM 2436 CA ILE A 188 158.028 168.045 182.619 1.00 53.24 C +ATOM 2437 C ILE A 188 159.031 168.398 183.719 1.00 57.24 C +ATOM 2438 O ILE A 188 158.815 169.346 184.470 1.00 62.78 O +ATOM 2439 CB ILE A 188 157.615 169.323 181.866 1.00 47.89 C +ATOM 2440 CG1 ILE A 188 156.618 168.985 180.757 1.00 50.43 C +ATOM 2441 CG2 ILE A 188 158.839 170.015 181.270 1.00 47.09 C +ATOM 2442 CD1 ILE A 188 155.853 170.178 180.239 1.00 48.04 C +ATOM 2443 H ILE A 188 156.406 167.895 183.718 1.00 67.02 H +ATOM 2444 HA ILE A 188 158.459 167.444 181.991 1.00 63.89 H +ATOM 2445 HB ILE A 188 157.190 169.930 182.493 1.00 57.47 H +ATOM 2446 HG12 ILE A 188 157.101 168.596 180.011 1.00 60.51 H +ATOM 2447 HG13 ILE A 188 155.974 168.346 181.100 1.00 60.51 H +ATOM 2448 HG21 ILE A 188 158.552 170.815 180.802 1.00 56.51 H +ATOM 2449 HG22 ILE A 188 159.449 170.250 181.986 1.00 56.51 H +ATOM 2450 HG23 ILE A 188 159.274 169.407 180.651 1.00 56.51 H +ATOM 2451 HD11 ILE A 188 155.245 169.884 179.542 1.00 57.65 H +ATOM 2452 HD12 ILE A 188 155.353 170.574 180.970 1.00 57.65 H +ATOM 2453 HD13 ILE A 188 156.481 170.824 179.879 1.00 57.65 H +ATOM 2454 N PRO A 189 160.133 167.635 183.823 1.00 48.28 N +ATOM 2455 CA PRO A 189 161.099 167.901 184.894 1.00 45.42 C +ATOM 2456 C PRO A 189 161.921 169.160 184.649 1.00 54.61 C +ATOM 2457 O PRO A 189 162.135 169.548 183.501 1.00 64.36 O +ATOM 2458 CB PRO A 189 161.988 166.657 184.872 1.00 52.97 C +ATOM 2459 CG PRO A 189 161.942 166.204 183.466 1.00 56.38 C +ATOM 2460 CD PRO A 189 160.557 166.507 182.976 1.00 49.32 C +ATOM 2461 HA PRO A 189 160.650 167.965 185.751 1.00 54.50 H +ATOM 2462 HB2 PRO A 189 162.893 166.894 185.130 1.00 63.57 H +ATOM 2463 HB3 PRO A 189 161.625 165.982 185.466 1.00 63.57 H +ATOM 2464 HG2 PRO A 189 162.600 166.692 182.946 1.00 67.65 H +ATOM 2465 HG3 PRO A 189 162.116 165.251 183.426 1.00 67.65 H +ATOM 2466 HD2 PRO A 189 160.579 166.774 182.043 1.00 59.18 H +ATOM 2467 HD3 PRO A 189 159.975 165.743 183.114 1.00 59.18 H +ATOM 2468 N ASP A 190 162.379 169.782 185.728 1.00 58.68 N +ATOM 2469 CA ASP A 190 163.177 170.996 185.637 1.00 57.60 C +ATOM 2470 C ASP A 190 164.551 170.717 185.024 1.00 48.73 C +ATOM 2471 O ASP A 190 165.277 169.855 185.514 1.00 55.77 O +ATOM 2472 CB ASP A 190 163.343 171.617 187.024 1.00 54.95 C +ATOM 2473 CG ASP A 190 164.309 172.777 187.030 1.00 57.65 C +ATOM 2474 OD1 ASP A 190 164.357 173.517 186.026 1.00 67.82 O +ATOM 2475 OD2 ASP A 190 165.024 172.947 188.036 1.00 52.07 O +ATOM 2476 H ASP A 190 162.239 169.517 186.534 1.00 70.41 H +ATOM 2477 HA ASP A 190 162.718 171.637 185.072 1.00 69.12 H +ATOM 2478 HB2 ASP A 190 162.482 171.941 187.330 1.00 65.94 H +ATOM 2479 HB3 ASP A 190 163.680 170.942 187.634 1.00 65.94 H +ATOM 2480 N PRO A 191 164.920 171.443 183.951 1.00 52.86 N +ATOM 2481 CA PRO A 191 166.255 171.241 183.370 1.00 49.91 C +ATOM 2482 C PRO A 191 167.399 171.686 184.282 1.00 47.37 C +ATOM 2483 O PRO A 191 168.511 171.181 184.132 1.00 46.13 O +ATOM 2484 CB PRO A 191 166.215 172.093 182.095 1.00 61.41 C +ATOM 2485 CG PRO A 191 165.110 173.058 182.300 1.00 59.56 C +ATOM 2486 CD PRO A 191 164.101 172.352 183.131 1.00 58.78 C +ATOM 2487 HA PRO A 191 166.380 170.310 183.129 1.00 59.90 H +ATOM 2488 HB2 PRO A 191 167.059 172.558 181.987 1.00 73.70 H +ATOM 2489 HB3 PRO A 191 166.035 171.525 181.329 1.00 73.70 H +ATOM 2490 HG2 PRO A 191 165.446 173.841 182.763 1.00 71.47 H +ATOM 2491 HG3 PRO A 191 164.732 173.305 181.442 1.00 71.47 H +ATOM 2492 HD2 PRO A 191 163.626 172.982 183.696 1.00 70.54 H +ATOM 2493 HD3 PRO A 191 163.493 171.846 182.570 1.00 70.54 H +ATOM 2494 N GLN A 192 167.140 172.608 185.204 1.00 52.66 N +ATOM 2495 CA GLN A 192 168.164 173.040 186.153 1.00 42.67 C +ATOM 2496 C GLN A 192 168.370 172.002 187.251 1.00 43.82 C +ATOM 2497 O GLN A 192 169.262 172.140 188.087 1.00 43.63 O +ATOM 2498 CB GLN A 192 167.802 174.389 186.775 1.00 41.49 C +ATOM 2499 CG GLN A 192 167.913 175.556 185.809 1.00 48.04 C +ATOM 2500 CD GLN A 192 167.786 176.903 186.490 1.00 43.96 C +ATOM 2501 OE1 GLN A 192 167.014 177.756 186.056 1.00 47.90 O +ATOM 2502 NE2 GLN A 192 168.556 177.109 187.552 1.00 42.69 N +ATOM 2503 H GLN A 192 166.380 173.000 185.302 1.00 63.19 H +ATOM 2504 HA GLN A 192 169.004 173.145 185.681 1.00 51.20 H +ATOM 2505 HB2 GLN A 192 166.886 174.352 187.091 1.00 49.79 H +ATOM 2506 HB3 GLN A 192 168.400 174.561 187.518 1.00 49.79 H +ATOM 2507 HG2 GLN A 192 168.778 175.522 185.373 1.00 57.65 H +ATOM 2508 HG3 GLN A 192 167.205 175.487 185.149 1.00 57.65 H +ATOM 2509 HE21 GLN A 192 169.093 176.492 187.820 1.00 51.23 H +ATOM 2510 HE22 GLN A 192 168.519 177.859 187.971 1.00 51.23 H +ATOM 2511 N GLY A 193 167.536 170.967 187.251 1.00 42.78 N +ATOM 2512 CA GLY A 193 167.711 169.849 188.160 1.00 43.13 C +ATOM 2513 C GLY A 193 167.181 170.078 189.565 1.00 44.39 C +ATOM 2514 O GLY A 193 167.572 169.364 190.487 1.00 38.53 O +ATOM 2515 H GLY A 193 166.856 170.891 186.729 1.00 51.33 H +ATOM 2516 HA2 GLY A 193 167.261 169.072 187.793 1.00 51.75 H +ATOM 2517 HA3 GLY A 193 168.657 169.644 188.227 1.00 51.75 H +ATOM 2518 N SER A 194 166.295 171.057 189.735 1.00 37.60 N +ATOM 2519 CA SER A 194 165.733 171.354 191.052 1.00 39.15 C +ATOM 2520 C SER A 194 165.037 170.125 191.623 1.00 43.80 C +ATOM 2521 O SER A 194 164.348 169.408 190.900 1.00 45.53 O +ATOM 2522 CB SER A 194 164.746 172.522 190.978 1.00 38.56 C +ATOM 2523 OG SER A 194 165.350 173.680 190.430 1.00 38.74 O +ATOM 2524 H SER A 194 166.002 171.564 189.104 1.00 45.12 H +ATOM 2525 HA SER A 194 166.451 171.603 191.655 1.00 46.98 H +ATOM 2526 HB2 SER A 194 163.997 172.264 190.418 1.00 46.28 H +ATOM 2527 HB3 SER A 194 164.433 172.725 191.873 1.00 46.28 H +ATOM 2528 HG SER A 194 165.624 173.520 189.652 1.00 46.49 H +ATOM 2529 N ASN A 195 165.226 169.887 192.917 1.00 35.41 N +ATOM 2530 CA ASN A 195 164.655 168.720 193.576 1.00 34.99 C +ATOM 2531 C ASN A 195 163.585 169.108 194.598 1.00 36.22 C +ATOM 2532 O ASN A 195 163.161 170.260 194.651 1.00 36.64 O +ATOM 2533 CB ASN A 195 165.764 167.897 194.238 1.00 34.75 C +ATOM 2534 CG ASN A 195 166.606 168.708 195.198 1.00 37.72 C +ATOM 2535 OD1 ASN A 195 166.225 169.800 195.614 1.00 41.78 O +ATOM 2536 ND2 ASN A 195 167.764 168.172 195.557 1.00 37.78 N +ATOM 2537 H ASN A 195 165.685 170.392 193.439 1.00 42.50 H +ATOM 2538 HA ASN A 195 164.232 168.160 192.905 1.00 41.99 H +ATOM 2539 HB2 ASN A 195 165.362 167.168 194.736 1.00 41.70 H +ATOM 2540 HB3 ASN A 195 166.350 167.545 193.550 1.00 41.70 H +ATOM 2541 HD21 ASN A 195 168.282 168.591 196.100 1.00 45.33 H +ATOM 2542 HD22 ASN A 195 167.997 167.404 195.246 1.00 45.33 H +ATOM 2543 N MET A 196 163.139 168.145 195.397 1.00 38.71 N +ATOM 2544 CA MET A 196 162.073 168.397 196.359 1.00 39.71 C +ATOM 2545 C MET A 196 162.589 169.119 197.597 1.00 38.54 C +ATOM 2546 O MET A 196 161.819 169.777 198.292 1.00 41.11 O +ATOM 2547 CB MET A 196 161.391 167.089 196.760 1.00 36.68 C +ATOM 2548 CG MET A 196 160.647 166.410 195.623 1.00 38.65 C +ATOM 2549 SD MET A 196 159.482 167.497 194.775 1.00 44.51 S +ATOM 2550 CE MET A 196 158.315 167.845 196.081 1.00 51.81 C +ATOM 2551 H MET A 196 163.436 167.338 195.402 1.00 46.45 H +ATOM 2552 HA MET A 196 161.403 168.956 195.935 1.00 47.65 H +ATOM 2553 HB2 MET A 196 162.066 166.472 197.083 1.00 44.02 H +ATOM 2554 HB3 MET A 196 160.751 167.274 197.464 1.00 44.02 H +ATOM 2555 HG2 MET A 196 161.291 166.096 194.969 1.00 46.39 H +ATOM 2556 HG3 MET A 196 160.148 165.659 195.980 1.00 46.39 H +ATOM 2557 HE1 MET A 196 157.625 168.434 195.739 1.00 62.17 H +ATOM 2558 HE2 MET A 196 157.920 167.012 196.382 1.00 62.17 H +ATOM 2559 HE3 MET A 196 158.782 168.274 196.816 1.00 62.17 H +ATOM 2560 N MET A 197 163.883 169.000 197.875 1.00 33.53 N +ATOM 2561 CA MET A 197 164.492 169.806 198.925 1.00 38.02 C +ATOM 2562 C MET A 197 164.328 171.277 198.568 1.00 35.69 C +ATOM 2563 O MET A 197 164.040 172.108 199.426 1.00 39.84 O +ATOM 2564 CB MET A 197 165.973 169.464 199.108 1.00 34.76 C +ATOM 2565 CG MET A 197 166.237 168.105 199.740 1.00 35.02 C +ATOM 2566 SD MET A 197 165.642 167.952 201.437 1.00 37.23 S +ATOM 2567 CE MET A 197 166.714 169.106 202.298 1.00 38.28 C +ATOM 2568 H MET A 197 164.426 168.466 197.475 1.00 40.23 H +ATOM 2569 HA MET A 197 164.037 169.630 199.764 1.00 45.62 H +ATOM 2570 HB2 MET A 197 166.401 169.471 198.238 1.00 41.71 H +ATOM 2571 HB3 MET A 197 166.378 170.136 199.676 1.00 41.71 H +ATOM 2572 HG2 MET A 197 165.796 167.423 199.210 1.00 42.03 H +ATOM 2573 HG3 MET A 197 167.194 167.946 199.748 1.00 42.03 H +ATOM 2574 HE1 MET A 197 167.635 168.824 202.185 1.00 45.93 H +ATOM 2575 HE2 MET A 197 166.590 169.992 201.923 1.00 45.93 H +ATOM 2576 HE3 MET A 197 166.482 169.109 203.240 1.00 45.93 H +ATOM 2577 N PHE A 198 164.500 171.590 197.289 1.00 37.53 N +ATOM 2578 CA PHE A 198 164.317 172.952 196.803 1.00 35.42 C +ATOM 2579 C PHE A 198 162.851 173.369 196.856 1.00 32.25 C +ATOM 2580 O PHE A 198 162.529 174.472 197.291 1.00 25.70 O +ATOM 2581 CB PHE A 198 164.844 173.089 195.373 1.00 31.59 C +ATOM 2582 CG PHE A 198 164.555 174.425 194.748 1.00 24.67 C +ATOM 2583 CD1 PHE A 198 165.366 175.514 195.011 1.00 29.40 C +ATOM 2584 CD2 PHE A 198 163.471 174.591 193.904 1.00 26.55 C +ATOM 2585 CE1 PHE A 198 165.103 176.744 194.441 1.00 33.37 C +ATOM 2586 CE2 PHE A 198 163.202 175.820 193.332 1.00 30.62 C +ATOM 2587 CZ PHE A 198 164.019 176.897 193.601 1.00 31.75 C +ATOM 2588 H PHE A 198 164.725 171.028 196.678 1.00 45.03 H +ATOM 2589 HA PHE A 198 164.821 173.559 197.368 1.00 42.50 H +ATOM 2590 HB2 PHE A 198 165.806 172.967 195.381 1.00 37.91 H +ATOM 2591 HB3 PHE A 198 164.430 172.408 194.820 1.00 37.91 H +ATOM 2592 HD1 PHE A 198 166.097 175.417 195.577 1.00 35.29 H +ATOM 2593 HD2 PHE A 198 162.917 173.868 193.720 1.00 31.86 H +ATOM 2594 HE1 PHE A 198 165.655 177.469 194.624 1.00 40.04 H +ATOM 2595 HE2 PHE A 198 162.472 175.919 192.765 1.00 36.75 H +ATOM 2596 HZ PHE A 198 163.840 177.725 193.216 1.00 38.09 H +ATOM 2597 N ALA A 199 161.970 172.480 196.409 1.00 33.61 N +ATOM 2598 CA ALA A 199 160.545 172.781 196.327 1.00 38.72 C +ATOM 2599 C ALA A 199 159.949 173.063 197.703 1.00 37.80 C +ATOM 2600 O ALA A 199 159.225 174.041 197.883 1.00 33.32 O +ATOM 2601 CB ALA A 199 159.799 171.633 195.655 1.00 39.67 C +ATOM 2602 H ALA A 199 162.174 171.687 196.145 1.00 40.33 H +ATOM 2603 HA ALA A 199 160.424 173.574 195.782 1.00 46.47 H +ATOM 2604 HB1 ALA A 199 158.856 171.853 195.611 1.00 47.61 H +ATOM 2605 HB2 ALA A 199 160.153 171.508 194.760 1.00 47.61 H +ATOM 2606 HB3 ALA A 199 159.927 170.825 196.177 1.00 47.61 H +ATOM 2607 N PHE A 200 160.257 172.210 198.672 1.00 34.83 N +ATOM 2608 CA PHE A 200 159.697 172.360 200.009 1.00 38.85 C +ATOM 2609 C PHE A 200 160.396 173.459 200.798 1.00 36.79 C +ATOM 2610 O PHE A 200 159.796 174.054 201.691 1.00 34.49 O +ATOM 2611 CB PHE A 200 159.762 171.036 200.772 1.00 39.62 C +ATOM 2612 CG PHE A 200 158.725 170.041 200.336 1.00 42.87 C +ATOM 2613 CD1 PHE A 200 157.380 170.362 200.382 1.00 43.95 C +ATOM 2614 CD2 PHE A 200 159.093 168.786 199.886 1.00 46.81 C +ATOM 2615 CE1 PHE A 200 156.420 169.454 199.981 1.00 46.04 C +ATOM 2616 CE2 PHE A 200 158.135 167.870 199.486 1.00 54.21 C +ATOM 2617 CZ PHE A 200 156.798 168.207 199.533 1.00 47.77 C +ATOM 2618 H PHE A 200 160.786 171.538 198.582 1.00 41.79 H +ATOM 2619 HA PHE A 200 158.762 172.606 199.927 1.00 46.61 H +ATOM 2620 HB2 PHE A 200 160.635 170.637 200.633 1.00 47.54 H +ATOM 2621 HB3 PHE A 200 159.627 171.212 201.717 1.00 47.54 H +ATOM 2622 HD1 PHE A 200 157.119 171.203 200.682 1.00 52.74 H +ATOM 2623 HD2 PHE A 200 159.993 168.555 199.851 1.00 56.17 H +ATOM 2624 HE1 PHE A 200 155.520 169.683 200.016 1.00 55.25 H +ATOM 2625 HE2 PHE A 200 158.393 167.030 199.183 1.00 65.05 H +ATOM 2626 HZ PHE A 200 156.153 167.593 199.265 1.00 57.33 H +ATOM 2627 N PHE A 201 161.656 173.738 200.476 1.00 32.77 N +ATOM 2628 CA PHE A 201 162.331 174.875 201.088 1.00 34.14 C +ATOM 2629 C PHE A 201 161.658 176.161 200.631 1.00 37.27 C +ATOM 2630 O PHE A 201 161.405 177.059 201.431 1.00 32.35 O +ATOM 2631 CB PHE A 201 163.819 174.915 200.737 1.00 31.08 C +ATOM 2632 CG PHE A 201 164.571 176.000 201.454 1.00 32.71 C +ATOM 2633 CD1 PHE A 201 164.621 177.284 200.938 1.00 35.91 C +ATOM 2634 CD2 PHE A 201 165.211 175.741 202.653 1.00 36.35 C +ATOM 2635 CE1 PHE A 201 165.303 178.282 201.600 1.00 31.69 C +ATOM 2636 CE2 PHE A 201 165.895 176.737 203.318 1.00 25.11 C +ATOM 2637 CZ PHE A 201 165.940 178.008 202.790 1.00 31.24 C +ATOM 2638 H PHE A 201 162.134 173.293 199.917 1.00 39.32 H +ATOM 2639 HA PHE A 201 162.248 174.815 202.052 1.00 40.97 H +ATOM 2640 HB2 PHE A 201 164.221 174.066 200.978 1.00 37.29 H +ATOM 2641 HB3 PHE A 201 163.913 175.067 199.784 1.00 37.29 H +ATOM 2642 HD1 PHE A 201 164.192 177.474 200.135 1.00 43.09 H +ATOM 2643 HD2 PHE A 201 165.183 174.884 203.013 1.00 43.62 H +ATOM 2644 HE1 PHE A 201 165.334 179.140 201.243 1.00 38.03 H +ATOM 2645 HE2 PHE A 201 166.325 176.551 204.121 1.00 30.13 H +ATOM 2646 HZ PHE A 201 166.402 178.681 203.237 1.00 37.48 H +ATOM 2647 N ALA A 202 161.374 176.241 199.335 1.00 30.76 N +ATOM 2648 CA ALA A 202 160.708 177.404 198.770 1.00 32.15 C +ATOM 2649 C ALA A 202 159.378 177.645 199.470 1.00 34.04 C +ATOM 2650 O ALA A 202 159.091 178.756 199.907 1.00 36.70 O +ATOM 2651 CB ALA A 202 160.497 177.223 197.278 1.00 32.21 C +ATOM 2652 H ALA A 202 161.560 175.630 198.760 1.00 36.92 H +ATOM 2653 HA ALA A 202 161.266 178.186 198.904 1.00 38.58 H +ATOM 2654 HB1 ALA A 202 160.053 178.010 196.924 1.00 38.65 H +ATOM 2655 HB2 ALA A 202 161.360 177.110 196.849 1.00 38.65 H +ATOM 2656 HB3 ALA A 202 159.948 176.438 197.130 1.00 38.65 H +ATOM 2657 N GLN A 203 158.576 176.593 199.583 1.00 36.08 N +ATOM 2658 CA GLN A 203 157.265 176.695 200.206 1.00 38.72 C +ATOM 2659 C GLN A 203 157.383 177.055 201.682 1.00 40.97 C +ATOM 2660 O GLN A 203 156.700 177.954 202.164 1.00 38.85 O +ATOM 2661 CB GLN A 203 156.493 175.384 200.055 1.00 41.62 C +ATOM 2662 CG GLN A 203 155.062 175.463 200.560 1.00 47.36 C +ATOM 2663 CD GLN A 203 154.359 174.122 200.555 1.00 48.73 C +ATOM 2664 OE1 GLN A 203 154.986 173.076 200.398 1.00 47.63 O +ATOM 2665 NE2 GLN A 203 153.045 174.147 200.730 1.00 54.85 N +ATOM 2666 H GLN A 203 158.770 175.803 199.303 1.00 43.30 H +ATOM 2667 HA GLN A 203 156.758 177.395 199.765 1.00 46.47 H +ATOM 2668 HB2 GLN A 203 156.464 175.144 199.115 1.00 49.95 H +ATOM 2669 HB3 GLN A 203 156.948 174.692 200.558 1.00 49.95 H +ATOM 2670 HG2 GLN A 203 155.067 175.795 201.471 1.00 56.83 H +ATOM 2671 HG3 GLN A 203 154.559 176.066 199.991 1.00 56.83 H +ATOM 2672 HE21 GLN A 203 152.641 174.898 200.839 1.00 65.82 H +ATOM 2673 HE22 GLN A 203 152.598 173.413 200.736 1.00 65.82 H +ATOM 2674 N HIS A 204 158.248 176.342 202.395 1.00 36.20 N +ATOM 2675 CA HIS A 204 158.439 176.570 203.820 1.00 27.18 C +ATOM 2676 C HIS A 204 158.907 177.995 204.092 1.00 34.26 C +ATOM 2677 O HIS A 204 158.335 178.701 204.924 1.00 29.65 O +ATOM 2678 CB HIS A 204 159.450 175.575 204.389 1.00 30.85 C +ATOM 2679 CG HIS A 204 159.660 175.700 205.865 1.00 30.46 C +ATOM 2680 ND1 HIS A 204 160.742 176.355 206.412 1.00 27.74 N +ATOM 2681 CD2 HIS A 204 158.924 175.252 206.909 1.00 28.08 C +ATOM 2682 CE1 HIS A 204 160.663 176.306 207.730 1.00 28.88 C +ATOM 2683 NE2 HIS A 204 159.568 175.644 208.057 1.00 27.31 N +ATOM 2684 H HIS A 204 158.740 175.714 202.072 1.00 43.44 H +ATOM 2685 HA HIS A 204 157.595 176.437 204.279 1.00 32.62 H +ATOM 2686 HB2 HIS A 204 159.137 174.674 204.209 1.00 37.02 H +ATOM 2687 HB3 HIS A 204 160.306 175.717 203.955 1.00 37.02 H +ATOM 2688 HD1 HIS A 204 161.370 176.736 205.966 1.00 33.29 H +ATOM 2689 HD2 HIS A 204 158.130 174.772 206.859 1.00 33.69 H +ATOM 2690 HE1 HIS A 204 161.273 176.676 208.325 1.00 34.66 H +ATOM 2691 N PHE A 205 159.945 178.412 203.378 1.00 29.52 N +ATOM 2692 CA PHE A 205 160.566 179.709 203.608 1.00 25.17 C +ATOM 2693 C PHE A 205 159.642 180.881 203.283 1.00 25.24 C +ATOM 2694 O PHE A 205 159.528 181.817 204.071 1.00 22.73 O +ATOM 2695 CB PHE A 205 161.849 179.825 202.786 1.00 27.30 C +ATOM 2696 CG PHE A 205 162.340 181.229 202.630 1.00 24.74 C +ATOM 2697 CD1 PHE A 205 162.878 181.912 203.703 1.00 25.41 C +ATOM 2698 CD2 PHE A 205 162.265 181.864 201.405 1.00 25.40 C +ATOM 2699 CE1 PHE A 205 163.329 183.207 203.554 1.00 28.42 C +ATOM 2700 CE2 PHE A 205 162.716 183.154 201.253 1.00 21.63 C +ATOM 2701 CZ PHE A 205 163.248 183.826 202.327 1.00 24.48 C +ATOM 2702 H PHE A 205 160.313 177.956 202.748 1.00 35.42 H +ATOM 2703 HA PHE A 205 160.808 179.776 204.544 1.00 30.21 H +ATOM 2704 HB2 PHE A 205 162.547 179.313 203.223 1.00 32.76 H +ATOM 2705 HB3 PHE A 205 161.686 179.467 201.899 1.00 32.76 H +ATOM 2706 HD1 PHE A 205 162.934 181.497 204.533 1.00 30.50 H +ATOM 2707 HD2 PHE A 205 161.906 181.414 200.675 1.00 30.48 H +ATOM 2708 HE1 PHE A 205 163.690 183.661 204.281 1.00 34.10 H +ATOM 2709 HE2 PHE A 205 162.660 183.571 200.424 1.00 25.95 H +ATOM 2710 HZ PHE A 205 163.552 184.699 202.225 1.00 29.38 H +ATOM 2711 N THR A 206 158.985 180.838 202.129 1.00 29.94 N +ATOM 2712 CA THR A 206 158.159 181.963 201.703 1.00 28.57 C +ATOM 2713 C THR A 206 156.852 182.062 202.484 1.00 29.80 C +ATOM 2714 O THR A 206 156.242 183.127 202.546 1.00 25.92 O +ATOM 2715 CB THR A 206 157.820 181.885 200.201 1.00 30.83 C +ATOM 2716 OG1 THR A 206 157.108 180.672 199.922 1.00 32.69 O +ATOM 2717 CG2 THR A 206 159.084 181.944 199.358 1.00 33.45 C +ATOM 2718 H THR A 206 159.001 180.177 201.579 1.00 35.93 H +ATOM 2719 HA THR A 206 158.653 182.784 201.851 1.00 34.28 H +ATOM 2720 HB THR A 206 157.263 182.642 199.961 1.00 37.00 H +ATOM 2721 HG1 THR A 206 157.579 180.008 200.131 1.00 39.22 H +ATOM 2722 HG21 THR A 206 158.857 181.894 198.417 1.00 40.14 H +ATOM 2723 HG22 THR A 206 159.555 182.776 199.526 1.00 40.14 H +ATOM 2724 HG23 THR A 206 159.667 181.202 199.582 1.00 40.14 H +ATOM 2725 N HIS A 207 156.422 180.963 203.095 1.00 34.28 N +ATOM 2726 CA HIS A 207 155.146 180.956 203.798 1.00 38.26 C +ATOM 2727 C HIS A 207 155.220 181.647 205.158 1.00 32.06 C +ATOM 2728 O HIS A 207 154.238 181.671 205.900 1.00 30.99 O +ATOM 2729 CB HIS A 207 154.635 179.526 203.960 1.00 37.13 C +ATOM 2730 CG HIS A 207 153.758 179.079 202.834 1.00 46.23 C +ATOM 2731 ND1 HIS A 207 154.158 179.121 201.517 1.00 47.74 N +ATOM 2732 CD2 HIS A 207 152.491 178.602 202.827 1.00 42.98 C +ATOM 2733 CE1 HIS A 207 153.179 178.679 200.748 1.00 49.36 C +ATOM 2734 NE2 HIS A 207 152.156 178.358 201.518 1.00 70.01 N +ATOM 2735 H HIS A 207 156.846 180.215 203.116 1.00 41.14 H +ATOM 2736 HA HIS A 207 154.498 181.438 203.262 1.00 45.92 H +ATOM 2737 HB2 HIS A 207 155.394 178.924 204.004 1.00 44.55 H +ATOM 2738 HB3 HIS A 207 154.120 179.467 204.780 1.00 44.55 H +ATOM 2739 HD2 HIS A 207 151.950 178.461 203.571 1.00 51.58 H +ATOM 2740 HE1 HIS A 207 153.206 178.607 199.821 1.00 59.23 H +ATOM 2741 HE2 HIS A 207 151.403 178.045 201.245 1.00 84.01 H +ATOM 2742 N GLN A 208 156.369 182.231 205.481 1.00 24.07 N +ATOM 2743 CA GLN A 208 156.453 183.077 206.660 1.00 25.52 C +ATOM 2744 C GLN A 208 156.004 184.503 206.335 1.00 26.02 C +ATOM 2745 O GLN A 208 155.509 185.204 207.215 1.00 29.98 O +ATOM 2746 CB GLN A 208 157.868 183.074 207.241 1.00 28.41 C +ATOM 2747 CG GLN A 208 158.878 183.918 206.499 1.00 23.60 C +ATOM 2748 CD GLN A 208 160.285 183.678 207.001 1.00 21.20 C +ATOM 2749 OE1 GLN A 208 160.692 184.223 208.023 1.00 25.86 O +ATOM 2750 NE2 GLN A 208 161.033 182.846 206.290 1.00 23.98 N +ATOM 2751 H GLN A 208 157.103 182.154 205.039 1.00 28.88 H +ATOM 2752 HA GLN A 208 155.854 182.727 207.338 1.00 30.63 H +ATOM 2753 HB2 GLN A 208 157.826 183.404 208.152 1.00 34.10 H +ATOM 2754 HB3 GLN A 208 158.196 182.161 207.243 1.00 34.10 H +ATOM 2755 HG2 GLN A 208 158.850 183.693 205.556 1.00 28.32 H +ATOM 2756 HG3 GLN A 208 158.666 184.855 206.627 1.00 28.32 H +ATOM 2757 HE21 GLN A 208 160.710 182.474 205.585 1.00 28.78 H +ATOM 2758 HE22 GLN A 208 161.840 182.677 206.535 1.00 28.78 H +ATOM 2759 N PHE A 209 156.161 184.929 205.080 1.00 21.62 N +ATOM 2760 CA PHE A 209 155.686 186.256 204.672 1.00 22.65 C +ATOM 2761 C PHE A 209 154.544 186.215 203.652 1.00 18.82 C +ATOM 2762 O PHE A 209 153.943 187.246 203.361 1.00 26.20 O +ATOM 2763 CB PHE A 209 156.837 187.118 204.130 1.00 25.97 C +ATOM 2764 CG PHE A 209 157.749 186.423 203.158 1.00 24.20 C +ATOM 2765 CD1 PHE A 209 157.374 186.233 201.840 1.00 26.04 C +ATOM 2766 CD2 PHE A 209 159.011 186.015 203.553 1.00 25.32 C +ATOM 2767 CE1 PHE A 209 158.229 185.617 200.946 1.00 29.50 C +ATOM 2768 CE2 PHE A 209 159.866 185.401 202.663 1.00 26.48 C +ATOM 2769 CZ PHE A 209 159.477 185.207 201.357 1.00 19.76 C +ATOM 2770 H PHE A 209 156.534 184.476 204.452 1.00 25.94 H +ATOM 2771 HA PHE A 209 155.344 186.706 205.461 1.00 27.18 H +ATOM 2772 HB2 PHE A 209 156.458 187.888 203.677 1.00 31.17 H +ATOM 2773 HB3 PHE A 209 157.378 187.415 204.878 1.00 31.17 H +ATOM 2774 HD1 PHE A 209 156.533 186.511 201.556 1.00 31.24 H +ATOM 2775 HD2 PHE A 209 159.281 186.146 204.433 1.00 30.38 H +ATOM 2776 HE1 PHE A 209 157.964 185.485 200.064 1.00 35.40 H +ATOM 2777 HE2 PHE A 209 160.708 185.123 202.944 1.00 31.77 H +ATOM 2778 HZ PHE A 209 160.051 184.789 200.757 1.00 23.71 H +ATOM 2779 N PHE A 210 154.235 185.038 203.123 1.00 22.27 N +ATOM 2780 CA PHE A 210 153.004 184.851 202.359 1.00 28.35 C +ATOM 2781 C PHE A 210 151.978 184.146 203.243 1.00 38.11 C +ATOM 2782 O PHE A 210 151.907 182.917 203.273 1.00 35.35 O +ATOM 2783 CB PHE A 210 153.249 184.047 201.084 1.00 34.54 C +ATOM 2784 CG PHE A 210 154.162 184.720 200.097 1.00 30.61 C +ATOM 2785 CD1 PHE A 210 154.181 186.100 199.964 1.00 30.26 C +ATOM 2786 CD2 PHE A 210 154.995 183.966 199.291 1.00 33.05 C +ATOM 2787 CE1 PHE A 210 155.021 186.710 199.050 1.00 24.95 C +ATOM 2788 CE2 PHE A 210 155.838 184.574 198.375 1.00 34.03 C +ATOM 2789 CZ PHE A 210 155.850 185.946 198.257 1.00 28.05 C +ATOM 2790 H PHE A 210 154.720 184.331 203.190 1.00 26.72 H +ATOM 2791 HA PHE A 210 152.647 185.718 202.109 1.00 34.02 H +ATOM 2792 HB2 PHE A 210 153.649 183.196 201.324 1.00 41.45 H +ATOM 2793 HB3 PHE A 210 152.398 183.895 200.643 1.00 41.45 H +ATOM 2794 HD1 PHE A 210 153.626 186.622 200.497 1.00 36.31 H +ATOM 2795 HD2 PHE A 210 154.992 183.039 199.368 1.00 39.66 H +ATOM 2796 HE1 PHE A 210 155.028 187.637 198.972 1.00 29.94 H +ATOM 2797 HE2 PHE A 210 156.396 184.056 197.841 1.00 40.84 H +ATOM 2798 HZ PHE A 210 156.415 186.355 197.642 1.00 33.66 H +ATOM 2799 N LYS A 211 151.200 184.941 203.969 1.00 34.91 N +ATOM 2800 CA LYS A 211 150.207 184.424 204.905 1.00 34.08 C +ATOM 2801 C LYS A 211 148.868 185.093 204.655 1.00 36.06 C +ATOM 2802 O LYS A 211 148.358 185.832 205.498 1.00 32.58 O +ATOM 2803 CB LYS A 211 150.659 184.654 206.347 1.00 33.17 C +ATOM 2804 CG LYS A 211 151.934 183.913 206.711 1.00 40.39 C +ATOM 2805 CD LYS A 211 152.568 184.477 207.966 1.00 37.05 C +ATOM 2806 CE LYS A 211 151.687 184.272 209.178 1.00 34.68 C +ATOM 2807 NZ LYS A 211 152.269 184.906 210.382 1.00 37.98 N +ATOM 2808 H LYS A 211 151.227 185.800 203.936 1.00 41.89 H +ATOM 2809 HA LYS A 211 150.102 183.469 204.767 1.00 40.90 H +ATOM 2810 HB2 LYS A 211 150.819 185.602 206.477 1.00 39.81 H +ATOM 2811 HB3 LYS A 211 149.959 184.352 206.946 1.00 39.81 H +ATOM 2812 HG2 LYS A 211 151.727 182.979 206.868 1.00 48.47 H +ATOM 2813 HG3 LYS A 211 152.571 183.998 205.985 1.00 48.47 H +ATOM 2814 HD2 LYS A 211 153.413 184.028 208.127 1.00 44.46 H +ATOM 2815 HD3 LYS A 211 152.711 185.429 207.852 1.00 44.46 H +ATOM 2816 HE2 LYS A 211 150.819 184.672 209.013 1.00 41.62 H +ATOM 2817 HE3 LYS A 211 151.594 183.322 209.349 1.00 41.62 H +ATOM 2818 HZ1 LYS A 211 151.736 184.774 211.082 1.00 45.58 H +ATOM 2819 HZ2 LYS A 211 153.068 184.553 210.555 1.00 45.58 H +ATOM 2820 HZ3 LYS A 211 152.363 185.781 210.250 1.00 45.58 H +ATOM 2821 N THR A 212 148.314 184.828 203.479 1.00 38.50 N +ATOM 2822 CA THR A 212 147.073 185.448 203.044 1.00 38.89 C +ATOM 2823 C THR A 212 145.959 185.246 204.075 1.00 47.28 C +ATOM 2824 O THR A 212 145.721 184.132 204.538 1.00 43.80 O +ATOM 2825 CB THR A 212 146.628 184.877 201.687 1.00 48.08 C +ATOM 2826 OG1 THR A 212 147.771 184.732 200.825 1.00 56.07 O +ATOM 2827 CG2 THR A 212 145.584 185.786 201.041 1.00 40.19 C +ATOM 2828 H THR A 212 148.647 184.282 202.904 1.00 46.20 H +ATOM 2829 HA THR A 212 147.215 186.401 202.938 1.00 46.67 H +ATOM 2830 HB THR A 212 146.225 184.007 201.827 1.00 57.69 H +ATOM 2831 HG21 THR A 212 145.310 185.418 200.186 1.00 48.23 H +ATOM 2832 HG22 THR A 212 144.807 185.859 201.616 1.00 48.23 H +ATOM 2833 HG23 THR A 212 145.956 186.670 200.899 1.00 48.23 H +ATOM 2834 N ASP A 213 145.295 186.337 204.443 1.00 44.87 N +ATOM 2835 CA ASP A 213 144.189 186.276 205.392 1.00 55.05 C +ATOM 2836 C ASP A 213 142.871 186.132 204.637 1.00 48.43 C +ATOM 2837 O ASP A 213 142.250 187.119 204.249 1.00 48.66 O +ATOM 2838 CB ASP A 213 144.176 187.519 206.281 1.00 57.66 C +ATOM 2839 CG ASP A 213 143.153 187.426 207.395 1.00 56.26 C +ATOM 2840 OD1 ASP A 213 142.534 186.354 207.548 1.00 57.00 O +ATOM 2841 OD2 ASP A 213 142.978 188.419 208.128 1.00 52.75 O +ATOM 2842 H ASP A 213 145.466 187.129 204.156 1.00 53.85 H +ATOM 2843 HA ASP A 213 144.299 185.497 205.961 1.00 66.06 H +ATOM 2844 HB2 ASP A 213 145.051 187.628 206.685 1.00 69.20 H +ATOM 2845 HB3 ASP A 213 143.961 188.294 205.739 1.00 69.20 H +ATOM 2846 N HIS A 214 142.445 184.892 204.438 1.00 57.86 N +ATOM 2847 CA HIS A 214 141.336 184.604 203.538 1.00 64.23 C +ATOM 2848 C HIS A 214 139.961 184.925 204.123 1.00 60.77 C +ATOM 2849 O HIS A 214 138.989 185.029 203.378 1.00 74.02 O +ATOM 2850 CB HIS A 214 141.391 183.137 203.113 1.00 52.75 C +ATOM 2851 CG HIS A 214 142.488 182.839 202.140 1.00 65.33 C +ATOM 2852 ND1 HIS A 214 142.431 183.219 200.816 1.00 69.47 N +ATOM 2853 CD2 HIS A 214 143.673 182.204 202.297 1.00 61.56 C +ATOM 2854 CE1 HIS A 214 143.532 182.828 200.200 1.00 75.95 C +ATOM 2855 NE2 HIS A 214 144.302 182.209 201.076 1.00 72.23 N +ATOM 2856 H HIS A 214 142.782 184.196 204.814 1.00 69.43 H +ATOM 2857 HA HIS A 214 141.444 185.143 202.739 1.00 77.07 H +ATOM 2858 HB2 HIS A 214 141.533 182.587 203.899 1.00 63.30 H +ATOM 2859 HB3 HIS A 214 140.549 182.901 202.693 1.00 63.30 H +ATOM 2860 HD2 HIS A 214 143.999 181.831 203.085 1.00 73.87 H +ATOM 2861 HE1 HIS A 214 143.731 182.965 199.302 1.00 91.14 H +ATOM 2862 HE2 HIS A 214 145.073 181.866 200.909 1.00 86.68 H +ATOM 2863 N LYS A 215 139.869 185.092 205.439 1.00 61.84 N +ATOM 2864 CA LYS A 215 138.601 185.494 206.039 1.00 72.75 C +ATOM 2865 C LYS A 215 138.382 186.990 205.816 1.00 81.05 C +ATOM 2866 O LYS A 215 137.270 187.494 205.974 1.00 70.27 O +ATOM 2867 CB LYS A 215 138.552 185.149 207.535 1.00 77.59 C +ATOM 2868 CG LYS A 215 139.273 186.116 208.467 1.00 76.39 C +ATOM 2869 CD LYS A 215 139.074 185.708 209.923 1.00 84.66 C +ATOM 2870 CE LYS A 215 139.826 186.626 210.878 1.00 92.97 C +ATOM 2871 NZ LYS A 215 139.473 186.359 212.302 1.00 99.46 N +ATOM 2872 H LYS A 215 140.513 184.980 205.998 1.00 74.21 H +ATOM 2873 HA LYS A 215 137.879 185.018 205.599 1.00 87.30 H +ATOM 2874 HB2 LYS A 215 137.622 185.120 207.811 1.00 93.11 H +ATOM 2875 HB3 LYS A 215 138.952 184.274 207.659 1.00 93.11 H +ATOM 2876 HG2 LYS A 215 140.224 186.103 208.273 1.00 91.67 H +ATOM 2877 HG3 LYS A 215 138.914 187.009 208.347 1.00 91.67 H +ATOM 2878 HD2 LYS A 215 138.130 185.753 210.140 1.00101.60 H +ATOM 2879 HD3 LYS A 215 139.404 184.805 210.049 1.00101.60 H +ATOM 2880 HE2 LYS A 215 140.780 186.484 210.772 1.00111.56 H +ATOM 2881 HE3 LYS A 215 139.600 187.548 210.678 1.00111.56 H +ATOM 2882 HZ1 LYS A 215 139.926 186.909 212.835 1.00119.35 H +ATOM 2883 HZ2 LYS A 215 138.601 186.487 212.428 1.00119.35 H +ATOM 2884 HZ3 LYS A 215 139.675 185.519 212.513 1.00119.35 H +ATOM 2885 N ARG A 216 139.450 187.689 205.436 1.00 77.89 N +ATOM 2886 CA ARG A 216 139.381 189.110 205.107 1.00 60.89 C +ATOM 2887 C ARG A 216 139.346 189.330 203.597 1.00 54.06 C +ATOM 2888 O ARG A 216 138.537 190.109 203.092 1.00 41.88 O +ATOM 2889 CB ARG A 216 140.574 189.851 205.705 1.00 61.30 C +ATOM 2890 CG ARG A 216 140.267 190.605 206.985 1.00 53.60 C +ATOM 2891 CD ARG A 216 141.506 191.307 207.507 1.00 59.26 C +ATOM 2892 NE ARG A 216 141.194 192.324 208.504 1.00 75.15 N +ATOM 2893 CZ ARG A 216 142.096 192.896 209.293 1.00 89.82 C +ATOM 2894 NH1 ARG A 216 141.720 193.815 210.170 1.00 96.51 N +ATOM 2895 NH2 ARG A 216 143.374 192.548 209.213 1.00 95.43 N +ATOM 2896 H ARG A 216 140.239 187.355 205.360 1.00 93.47 H +ATOM 2897 HA ARG A 216 138.571 189.485 205.486 1.00 73.07 H +ATOM 2898 HB2 ARG A 216 141.272 189.206 205.904 1.00 73.55 H +ATOM 2899 HB3 ARG A 216 140.898 190.493 205.055 1.00 73.55 H +ATOM 2900 HG2 ARG A 216 139.587 191.274 206.810 1.00 64.32 H +ATOM 2901 HG3 ARG A 216 139.961 189.981 207.662 1.00 64.32 H +ATOM 2902 HD2 ARG A 216 142.092 190.652 207.919 1.00 71.11 H +ATOM 2903 HD3 ARG A 216 141.960 191.740 206.767 1.00 71.11 H +ATOM 2904 HE ARG A 216 140.380 192.596 208.559 1.00 90.18 H +ATOM 2905 HH11 ARG A 216 140.893 194.042 210.226 1.00115.81 H +ATOM 2906 HH12 ARG A 216 142.303 194.184 210.683 1.00115.81 H +ATOM 2907 HH21 ARG A 216 143.622 191.952 208.645 1.00114.52 H +ATOM 2908 HH22 ARG A 216 143.954 192.920 209.727 1.00114.52 H +ATOM 2909 N GLY A 217 140.232 188.639 202.885 1.00 49.70 N +ATOM 2910 CA GLY A 217 140.323 188.755 201.440 1.00 50.27 C +ATOM 2911 C GLY A 217 141.744 188.551 200.950 1.00 43.42 C +ATOM 2912 O GLY A 217 142.689 188.664 201.728 1.00 39.85 O +ATOM 2913 H GLY A 217 140.799 188.089 203.225 1.00 59.64 H +ATOM 2914 HA2 GLY A 217 139.753 188.089 201.024 1.00 60.32 H +ATOM 2915 HA3 GLY A 217 140.023 189.635 201.165 1.00 60.32 H +ATOM 2916 N PRO A 218 141.906 188.255 199.650 1.00 44.93 N +ATOM 2917 CA PRO A 218 143.227 187.996 199.061 1.00 45.08 C +ATOM 2918 C PRO A 218 144.212 189.153 199.226 1.00 44.09 C +ATOM 2919 O PRO A 218 145.420 188.943 199.125 1.00 44.07 O +ATOM 2920 CB PRO A 218 142.912 187.766 197.577 1.00 43.98 C +ATOM 2921 CG PRO A 218 141.562 188.358 197.361 1.00 52.15 C +ATOM 2922 CD PRO A 218 140.833 188.169 198.645 1.00 45.80 C +ATOM 2923 HA PRO A 218 143.612 187.189 199.438 1.00 54.09 H +ATOM 2924 HB2 PRO A 218 143.574 188.216 197.029 1.00 52.78 H +ATOM 2925 HB3 PRO A 218 142.902 186.814 197.389 1.00 52.78 H +ATOM 2926 HG2 PRO A 218 141.650 189.301 197.154 1.00 62.58 H +ATOM 2927 HG3 PRO A 218 141.112 187.889 196.641 1.00 62.58 H +ATOM 2928 HD2 PRO A 218 140.187 188.881 198.776 1.00 54.96 H +ATOM 2929 HD3 PRO A 218 140.413 187.295 198.671 1.00 54.96 H +ATOM 2930 N ALA A 219 143.700 190.349 199.490 1.00 38.39 N +ATOM 2931 CA ALA A 219 144.534 191.544 199.558 1.00 39.43 C +ATOM 2932 C ALA A 219 145.184 191.742 200.927 1.00 33.74 C +ATOM 2933 O ALA A 219 145.966 192.675 201.108 1.00 31.91 O +ATOM 2934 CB ALA A 219 143.711 192.766 199.198 1.00 35.56 C +ATOM 2935 H ALA A 219 142.865 190.497 199.636 1.00 46.07 H +ATOM 2936 HA ALA A 219 145.245 191.463 198.903 1.00 47.31 H +ATOM 2937 HB1 ALA A 219 144.277 193.552 199.247 1.00 42.67 H +ATOM 2938 HB2 ALA A 219 143.367 192.660 198.297 1.00 42.67 H +ATOM 2939 HB3 ALA A 219 142.976 192.847 199.826 1.00 42.67 H +ATOM 2940 N PHE A 220 144.872 190.866 201.878 1.00 29.28 N +ATOM 2941 CA PHE A 220 145.349 191.019 203.251 1.00 31.46 C +ATOM 2942 C PHE A 220 146.285 189.895 203.684 1.00 28.67 C +ATOM 2943 O PHE A 220 146.217 188.782 203.166 1.00 33.32 O +ATOM 2944 CB PHE A 220 144.161 191.095 204.208 1.00 36.93 C +ATOM 2945 CG PHE A 220 143.245 192.247 203.935 1.00 38.06 C +ATOM 2946 CD1 PHE A 220 143.503 193.495 204.476 1.00 38.07 C +ATOM 2947 CD2 PHE A 220 142.132 192.087 203.129 1.00 44.40 C +ATOM 2948 CE1 PHE A 220 142.664 194.558 204.222 1.00 38.21 C +ATOM 2949 CE2 PHE A 220 141.290 193.149 202.874 1.00 44.81 C +ATOM 2950 CZ PHE A 220 141.556 194.385 203.419 1.00 37.40 C +ATOM 2951 H PHE A 220 144.383 190.170 201.754 1.00 35.14 H +ATOM 2952 HA PHE A 220 145.839 191.853 203.319 1.00 37.75 H +ATOM 2953 HB2 PHE A 220 143.643 190.278 204.130 1.00 44.32 H +ATOM 2954 HB3 PHE A 220 144.495 191.188 205.114 1.00 44.32 H +ATOM 2955 HD1 PHE A 220 144.249 193.616 205.017 1.00 45.69 H +ATOM 2956 HD2 PHE A 220 141.948 191.254 202.759 1.00 53.28 H +ATOM 2957 HE1 PHE A 220 142.845 195.392 204.591 1.00 45.85 H +ATOM 2958 HE2 PHE A 220 140.543 193.030 202.332 1.00 53.77 H +ATOM 2959 HZ PHE A 220 140.989 195.102 203.248 1.00 44.88 H +ATOM 2960 N THR A 221 147.155 190.205 204.642 1.00 28.35 N +ATOM 2961 CA THR A 221 148.104 189.239 205.186 1.00 35.73 C +ATOM 2962 C THR A 221 148.082 189.220 206.708 1.00 26.30 C +ATOM 2963 O THR A 221 147.754 190.218 207.345 1.00 24.82 O +ATOM 2964 CB THR A 221 149.551 189.534 204.722 1.00 27.94 C +ATOM 2965 OG1 THR A 221 150.452 188.607 205.339 1.00 31.78 O +ATOM 2966 CG2 THR A 221 149.966 190.948 205.094 1.00 28.79 C +ATOM 2967 H THR A 221 147.216 190.985 204.999 1.00 34.02 H +ATOM 2968 HA THR A 221 147.865 188.352 204.872 1.00 42.88 H +ATOM 2969 HB THR A 221 149.605 189.443 203.758 1.00 33.53 H +ATOM 2970 HG1 THR A 221 151.239 188.762 205.091 1.00 38.14 H +ATOM 2971 HG21 THR A 221 150.874 191.116 204.796 1.00 34.55 H +ATOM 2972 HG22 THR A 221 149.372 191.589 204.672 1.00 34.55 H +ATOM 2973 HG23 THR A 221 149.923 191.064 206.056 1.00 34.55 H +ATOM 2974 N ASN A 222 148.436 188.074 207.282 1.00 35.54 N +ATOM 2975 CA ASN A 222 148.610 187.943 208.724 1.00 33.13 C +ATOM 2976 C ASN A 222 150.068 188.113 209.144 1.00 30.80 C +ATOM 2977 O ASN A 222 150.369 188.181 210.333 1.00 32.32 O +ATOM 2978 CB ASN A 222 148.101 186.585 209.202 1.00 34.90 C +ATOM 2979 CG ASN A 222 146.607 186.430 209.032 1.00 41.10 C +ATOM 2980 OD1 ASN A 222 145.839 187.338 209.345 1.00 47.38 O +ATOM 2981 ND2 ASN A 222 146.187 185.279 208.527 1.00 49.65 N +ATOM 2982 H ASN A 222 148.583 187.346 206.849 1.00 42.64 H +ATOM 2983 HA ASN A 222 148.089 188.630 209.167 1.00 39.75 H +ATOM 2984 HB2 ASN A 222 148.536 185.885 208.689 1.00 41.87 H +ATOM 2985 HB3 ASN A 222 148.308 186.483 210.144 1.00 41.87 H +ATOM 2986 HD21 ASN A 222 145.346 185.142 208.410 1.00 59.58 H +ATOM 2987 HD22 ASN A 222 146.755 184.669 208.316 1.00 59.58 H +ATOM 2988 N GLY A 223 150.968 188.173 208.166 1.00 28.45 N +ATOM 2989 CA GLY A 223 152.385 188.344 208.438 1.00 28.99 C +ATOM 2990 C GLY A 223 152.755 189.809 208.550 1.00 26.54 C +ATOM 2991 O GLY A 223 153.246 190.404 207.594 1.00 30.29 O +ATOM 2992 H GLY A 223 150.777 188.116 207.329 1.00 34.13 H +ATOM 2993 HA2 GLY A 223 152.613 187.901 209.270 1.00 34.78 H +ATOM 2994 HA3 GLY A 223 152.905 187.947 207.722 1.00 34.78 H +ATOM 2995 N LEU A 224 152.524 190.391 209.722 1.00 23.04 N +ATOM 2996 CA LEU A 224 152.713 191.826 209.913 1.00 27.27 C +ATOM 2997 C LEU A 224 154.190 192.197 210.032 1.00 25.51 C +ATOM 2998 O LEU A 224 154.540 193.376 210.038 1.00 26.06 O +ATOM 2999 CB LEU A 224 151.951 192.300 211.150 1.00 22.51 C +ATOM 3000 CG LEU A 224 150.458 191.955 211.183 1.00 29.48 C +ATOM 3001 CD1 LEU A 224 149.803 192.568 212.405 1.00 22.12 C +ATOM 3002 CD2 LEU A 224 149.749 192.408 209.916 1.00 26.29 C +ATOM 3003 H LEU A 224 152.255 189.976 210.426 1.00 27.65 H +ATOM 3004 HA LEU A 224 152.352 192.294 209.144 1.00 32.73 H +ATOM 3005 HB2 LEU A 224 152.359 191.899 211.933 1.00 27.01 H +ATOM 3006 HB3 LEU A 224 152.026 193.266 211.204 1.00 27.01 H +ATOM 3007 HG LEU A 224 150.362 190.992 211.247 1.00 35.38 H +ATOM 3008 HD11 LEU A 224 148.860 192.338 212.406 1.00 26.55 H +ATOM 3009 HD12 LEU A 224 150.231 192.218 213.201 1.00 26.55 H +ATOM 3010 HD13 LEU A 224 149.908 193.532 212.368 1.00 26.55 H +ATOM 3011 HD21 LEU A 224 148.810 192.171 209.978 1.00 31.55 H +ATOM 3012 HD22 LEU A 224 149.843 193.369 209.829 1.00 31.55 H +ATOM 3013 HD23 LEU A 224 150.153 191.965 209.153 1.00 31.55 H +ATOM 3014 N GLY A 225 155.053 191.191 210.128 1.00 23.26 N +ATOM 3015 CA GLY A 225 156.485 191.419 210.125 1.00 24.62 C +ATOM 3016 C GLY A 225 156.961 191.751 208.724 1.00 27.17 C +ATOM 3017 O GLY A 225 158.010 192.369 208.545 1.00 28.19 O +ATOM 3018 H GLY A 225 154.829 190.364 210.196 1.00 27.91 H +ATOM 3019 HA2 GLY A 225 156.703 192.157 210.715 1.00 29.54 H +ATOM 3020 HA3 GLY A 225 156.946 190.623 210.433 1.00 29.54 H +ATOM 3021 N HIS A 226 156.178 191.329 207.734 1.00 23.82 N +ATOM 3022 CA HIS A 226 156.435 191.639 206.329 1.00 24.14 C +ATOM 3023 C HIS A 226 157.858 191.295 205.884 1.00 25.87 C +ATOM 3024 O HIS A 226 158.514 192.082 205.201 1.00 22.14 O +ATOM 3025 CB HIS A 226 156.142 193.117 206.064 1.00 21.07 C +ATOM 3026 CG HIS A 226 154.686 193.418 205.919 1.00 22.95 C +ATOM 3027 ND1 HIS A 226 154.042 193.383 204.703 1.00 25.38 N +ATOM 3028 CD2 HIS A 226 153.745 193.743 206.835 1.00 18.64 C +ATOM 3029 CE1 HIS A 226 152.767 193.679 204.872 1.00 29.20 C +ATOM 3030 NE2 HIS A 226 152.561 193.902 206.157 1.00 30.62 N +ATOM 3031 H HIS A 226 155.475 190.849 207.855 1.00 28.59 H +ATOM 3032 HA HIS A 226 155.825 191.118 205.783 1.00 28.97 H +ATOM 3033 HB2 HIS A 226 156.482 193.641 206.806 1.00 25.28 H +ATOM 3034 HB3 HIS A 226 156.584 193.382 205.243 1.00 25.28 H +ATOM 3035 HD2 HIS A 226 153.875 193.842 207.750 1.00 22.37 H +ATOM 3036 HE1 HIS A 226 152.125 193.725 204.201 1.00 35.04 H +ATOM 3037 HE2 HIS A 226 151.807 194.114 206.512 1.00 36.75 H +ATOM 3038 N GLY A 227 158.329 190.112 206.259 1.00 22.32 N +ATOM 3039 CA GLY A 227 159.641 189.671 205.837 1.00 25.50 C +ATOM 3040 C GLY A 227 160.131 188.434 206.557 1.00 23.78 C +ATOM 3041 O GLY A 227 159.346 187.562 206.929 1.00 24.64 O +ATOM 3042 H GLY A 227 157.907 189.551 206.756 1.00 26.79 H +ATOM 3043 HA2 GLY A 227 159.622 189.481 204.886 1.00 30.60 H +ATOM 3044 HA3 GLY A 227 160.281 190.384 205.990 1.00 30.60 H +ATOM 3045 N VAL A 228 161.442 188.371 206.755 1.00 22.91 N +ATOM 3046 CA VAL A 228 162.093 187.191 207.305 1.00 22.88 C +ATOM 3047 C VAL A 228 162.252 187.314 208.819 1.00 23.29 C +ATOM 3048 O VAL A 228 163.335 187.617 209.316 1.00 23.20 O +ATOM 3049 CB VAL A 228 163.471 186.968 206.649 1.00 22.05 C +ATOM 3050 CG1 VAL A 228 164.072 185.646 207.084 1.00 22.30 C +ATOM 3051 CG2 VAL A 228 163.344 187.005 205.132 1.00 22.96 C +ATOM 3052 H VAL A 228 161.986 189.013 206.575 1.00 27.49 H +ATOM 3053 HA VAL A 228 161.544 186.412 207.122 1.00 27.46 H +ATOM 3054 HB VAL A 228 164.073 187.678 206.921 1.00 26.46 H +ATOM 3055 HG11 VAL A 228 164.935 185.536 206.655 1.00 26.76 H +ATOM 3056 HG12 VAL A 228 164.178 185.650 208.048 1.00 26.76 H +ATOM 3057 HG13 VAL A 228 163.476 184.927 206.819 1.00 26.76 H +ATOM 3058 HG21 VAL A 228 164.219 186.863 204.738 1.00 27.56 H +ATOM 3059 HG22 VAL A 228 162.736 186.305 204.849 1.00 27.56 H +ATOM 3060 HG23 VAL A 228 162.998 187.872 204.866 1.00 27.56 H +ATOM 3061 N ASP A 229 161.161 187.076 209.544 1.00 23.38 N +ATOM 3062 CA ASP A 229 161.164 187.162 211.002 1.00 29.29 C +ATOM 3063 C ASP A 229 161.070 185.783 211.650 1.00 26.72 C +ATOM 3064 O ASP A 229 161.117 185.662 212.872 1.00 24.42 O +ATOM 3065 CB ASP A 229 160.017 188.058 211.483 1.00 25.33 C +ATOM 3066 CG ASP A 229 158.640 187.529 211.099 1.00 26.39 C +ATOM 3067 OD1 ASP A 229 158.550 186.507 210.388 1.00 25.65 O +ATOM 3068 OD2 ASP A 229 157.637 188.154 211.503 1.00 24.56 O +ATOM 3069 H ASP A 229 160.399 186.861 209.210 1.00 28.05 H +ATOM 3070 HA ASP A 229 161.997 187.567 211.289 1.00 35.15 H +ATOM 3071 HB2 ASP A 229 160.053 188.123 212.450 1.00 30.39 H +ATOM 3072 HB3 ASP A 229 160.120 188.938 211.088 1.00 30.39 H +ATOM 3073 N LEU A 230 160.951 184.752 210.819 1.00 25.86 N +ATOM 3074 CA LEU A 230 160.857 183.367 211.278 1.00 26.76 C +ATOM 3075 C LEU A 230 159.630 183.137 212.167 1.00 28.19 C +ATOM 3076 O LEU A 230 159.648 182.302 213.071 1.00 31.29 O +ATOM 3077 CB LEU A 230 162.145 182.959 212.009 1.00 28.18 C +ATOM 3078 CG LEU A 230 163.214 182.311 211.118 1.00 30.10 C +ATOM 3079 CD1 LEU A 230 163.588 183.206 209.947 1.00 28.56 C +ATOM 3080 CD2 LEU A 230 164.443 181.963 211.942 1.00 25.44 C +ATOM 3081 H LEU A 230 160.922 184.831 209.963 1.00 31.04 H +ATOM 3082 HA LEU A 230 160.767 182.792 210.502 1.00 32.11 H +ATOM 3083 HB2 LEU A 230 162.537 183.751 212.409 1.00 33.82 H +ATOM 3084 HB3 LEU A 230 161.917 182.322 212.704 1.00 33.82 H +ATOM 3085 HG LEU A 230 162.858 181.484 210.756 1.00 36.12 H +ATOM 3086 HD11 LEU A 230 164.263 182.760 209.413 1.00 34.27 H +ATOM 3087 HD12 LEU A 230 162.796 183.370 209.411 1.00 34.27 H +ATOM 3088 HD13 LEU A 230 163.936 184.044 210.289 1.00 34.27 H +ATOM 3089 HD21 LEU A 230 165.106 181.556 211.363 1.00 30.52 H +ATOM 3090 HD22 LEU A 230 164.800 182.776 212.334 1.00 30.52 H +ATOM 3091 HD23 LEU A 230 164.188 181.342 212.642 1.00 30.52 H +ATOM 3092 N ASN A 231 158.550 183.861 211.892 1.00 29.16 N +ATOM 3093 CA ASN A 231 157.306 183.653 212.621 1.00 28.53 C +ATOM 3094 C ASN A 231 156.740 182.262 212.359 1.00 22.54 C +ATOM 3095 O ASN A 231 155.944 181.750 213.141 1.00 26.79 O +ATOM 3096 CB ASN A 231 156.272 184.717 212.246 1.00 23.82 C +ATOM 3097 CG ASN A 231 155.619 184.454 210.907 1.00 26.12 C +ATOM 3098 OD1 ASN A 231 154.640 183.716 210.816 1.00 29.80 O +ATOM 3099 ND2 ASN A 231 156.152 185.064 209.857 1.00 30.44 N +ATOM 3100 H ASN A 231 158.511 184.475 211.291 1.00 34.99 H +ATOM 3101 HA ASN A 231 157.482 183.730 213.571 1.00 34.23 H +ATOM 3102 HB2 ASN A 231 155.576 184.732 212.921 1.00 28.59 H +ATOM 3103 HB3 ASN A 231 156.710 185.581 212.202 1.00 28.59 H +ATOM 3104 HD21 ASN A 231 155.816 184.946 209.075 1.00 36.53 H +ATOM 3105 HD22 ASN A 231 156.834 185.578 209.960 1.00 36.53 H +ATOM 3106 N HIS A 232 157.157 181.646 211.258 1.00 28.01 N +ATOM 3107 CA HIS A 232 156.706 180.298 210.934 1.00 29.54 C +ATOM 3108 C HIS A 232 157.426 179.253 211.789 1.00 28.41 C +ATOM 3109 O HIS A 232 157.092 178.072 211.744 1.00 23.90 O +ATOM 3110 CB HIS A 232 156.899 180.000 209.441 1.00 27.38 C +ATOM 3111 CG HIS A 232 158.325 180.012 208.988 1.00 22.09 C +ATOM 3112 ND1 HIS A 232 159.309 180.742 209.620 1.00 28.44 N +ATOM 3113 CD2 HIS A 232 158.930 179.386 207.952 1.00 29.31 C +ATOM 3114 CE1 HIS A 232 160.458 180.562 208.996 1.00 26.47 C +ATOM 3115 NE2 HIS A 232 160.255 179.742 207.982 1.00 28.48 N +ATOM 3116 H HIS A 232 157.699 181.987 210.684 1.00 33.61 H +ATOM 3117 HA HIS A 232 155.758 180.233 211.127 1.00 35.44 H +ATOM 3118 HB2 HIS A 232 156.537 179.120 209.251 1.00 32.85 H +ATOM 3119 HB3 HIS A 232 156.421 180.669 208.927 1.00 32.85 H +ATOM 3120 HD2 HIS A 232 158.524 178.818 207.337 1.00 35.17 H +ATOM 3121 HE1 HIS A 232 161.272 180.946 209.233 1.00 31.76 H +ATOM 3122 HE2 HIS A 232 160.856 179.476 207.427 1.00 34.18 H +ATOM 3123 N ILE A 233 158.407 179.700 212.567 1.00 26.89 N +ATOM 3124 CA ILE A 233 159.042 178.862 213.578 1.00 27.19 C +ATOM 3125 C ILE A 233 158.561 179.256 214.973 1.00 27.64 C +ATOM 3126 O ILE A 233 158.209 178.400 215.784 1.00 23.86 O +ATOM 3127 CB ILE A 233 160.581 178.970 213.520 1.00 24.52 C +ATOM 3128 CG1 ILE A 233 161.101 178.371 212.213 1.00 28.34 C +ATOM 3129 CG2 ILE A 233 161.223 178.256 214.712 1.00 21.05 C +ATOM 3130 CD1 ILE A 233 162.549 178.676 211.930 1.00 27.69 C +ATOM 3131 H ILE A 233 158.727 180.497 212.528 1.00 32.27 H +ATOM 3132 HA ILE A 233 158.797 177.936 213.424 1.00 32.63 H +ATOM 3133 HB ILE A 233 160.828 179.908 213.551 1.00 29.42 H +ATOM 3134 HG12 ILE A 233 161.004 177.406 212.253 1.00 34.00 H +ATOM 3135 HG13 ILE A 233 160.575 178.723 211.478 1.00 34.00 H +ATOM 3136 HG21 ILE A 233 162.187 178.341 214.649 1.00 25.26 H +ATOM 3137 HG22 ILE A 233 160.907 178.667 215.532 1.00 25.26 H +ATOM 3138 HG23 ILE A 233 160.970 177.320 214.692 1.00 25.26 H +ATOM 3139 HD11 ILE A 233 162.800 178.263 211.089 1.00 33.22 H +ATOM 3140 HD12 ILE A 233 162.664 179.637 211.874 1.00 33.22 H +ATOM 3141 HD13 ILE A 233 163.093 178.319 212.649 1.00 33.22 H +ATOM 3142 N TYR A 234 158.533 180.559 215.234 1.00 24.66 N +ATOM 3143 CA TYR A 234 158.324 181.075 216.584 1.00 25.32 C +ATOM 3144 C TYR A 234 156.909 181.573 216.853 1.00 24.26 C +ATOM 3145 O TYR A 234 156.559 181.855 217.997 1.00 27.07 O +ATOM 3146 CB TYR A 234 159.314 182.207 216.856 1.00 24.31 C +ATOM 3147 CG TYR A 234 160.751 181.765 216.757 1.00 24.25 C +ATOM 3148 CD1 TYR A 234 161.298 180.915 217.708 1.00 28.46 C +ATOM 3149 CD2 TYR A 234 161.560 182.188 215.712 1.00 26.91 C +ATOM 3150 CE1 TYR A 234 162.610 180.500 217.623 1.00 30.33 C +ATOM 3151 CE2 TYR A 234 162.876 181.777 215.620 1.00 28.39 C +ATOM 3152 CZ TYR A 234 163.394 180.936 216.577 1.00 26.19 C +ATOM 3153 OH TYR A 234 164.701 180.526 216.492 1.00 23.63 O +ATOM 3154 H TYR A 234 158.634 181.172 214.640 1.00 29.59 H +ATOM 3155 HA TYR A 234 158.509 180.364 217.217 1.00 30.39 H +ATOM 3156 HB2 TYR A 234 159.173 182.913 216.206 1.00 29.17 H +ATOM 3157 HB3 TYR A 234 159.166 182.547 217.752 1.00 29.17 H +ATOM 3158 HD1 TYR A 234 160.770 180.620 218.414 1.00 34.15 H +ATOM 3159 HD2 TYR A 234 161.211 182.756 215.064 1.00 32.29 H +ATOM 3160 HE1 TYR A 234 162.964 179.932 218.268 1.00 36.40 H +ATOM 3161 HE2 TYR A 234 163.408 182.069 214.915 1.00 34.07 H +ATOM 3162 HH TYR A 234 165.063 180.861 215.813 1.00 28.36 H +ATOM 3163 N GLY A 235 156.100 181.683 215.805 1.00 24.49 N +ATOM 3164 CA GLY A 235 154.744 182.184 215.944 1.00 20.99 C +ATOM 3165 C GLY A 235 154.665 183.677 215.686 1.00 23.79 C +ATOM 3166 O GLY A 235 155.604 184.419 215.970 1.00 23.30 O +ATOM 3167 H GLY A 235 156.316 181.472 215.000 1.00 29.39 H +ATOM 3168 HA2 GLY A 235 154.164 181.730 215.313 1.00 25.19 H +ATOM 3169 HA3 GLY A 235 154.423 182.008 216.842 1.00 25.19 H +ATOM 3170 N GLU A 236 153.535 184.113 215.145 1.00 27.13 N +ATOM 3171 CA GLU A 236 153.333 185.516 214.800 1.00 23.76 C +ATOM 3172 C GLU A 236 153.204 186.393 216.043 1.00 31.52 C +ATOM 3173 O GLU A 236 153.739 187.500 216.084 1.00 33.26 O +ATOM 3174 CB GLU A 236 152.090 185.656 213.915 1.00 30.39 C +ATOM 3175 CG GLU A 236 151.715 187.087 213.538 1.00 38.19 C +ATOM 3176 CD GLU A 236 152.670 187.724 212.541 1.00 30.90 C +ATOM 3177 OE1 GLU A 236 153.338 186.991 211.781 1.00 28.48 O +ATOM 3178 OE2 GLU A 236 152.747 188.969 212.514 1.00 30.56 O +ATOM 3179 H GLU A 236 152.861 183.611 214.965 1.00 32.55 H +ATOM 3180 HA GLU A 236 154.098 185.828 214.292 1.00 28.51 H +ATOM 3181 HB2 GLU A 236 152.242 185.168 213.091 1.00 36.46 H +ATOM 3182 HB3 GLU A 236 151.333 185.271 214.385 1.00 36.46 H +ATOM 3183 HG2 GLU A 236 150.830 187.084 213.141 1.00 45.82 H +ATOM 3184 HG3 GLU A 236 151.715 187.632 214.340 1.00 45.82 H +ATOM 3185 N THR A 237 152.497 185.898 217.055 1.00 33.24 N +ATOM 3186 CA THR A 237 152.239 186.674 218.267 1.00 27.62 C +ATOM 3187 C THR A 237 153.062 186.175 219.446 1.00 33.13 C +ATOM 3188 O THR A 237 153.543 185.043 219.447 1.00 28.81 O +ATOM 3189 CB THR A 237 150.753 186.628 218.663 1.00 27.48 C +ATOM 3190 OG1 THR A 237 150.396 185.291 219.037 1.00 33.45 O +ATOM 3191 CG2 THR A 237 149.873 187.092 217.510 1.00 26.95 C +ATOM 3192 H THR A 237 152.154 185.110 217.065 1.00 39.89 H +ATOM 3193 HA THR A 237 152.477 187.600 218.105 1.00 33.15 H +ATOM 3194 HB THR A 237 150.605 187.221 219.416 1.00 32.98 H +ATOM 3195 HG1 THR A 237 149.585 185.261 219.254 1.00 40.14 H +ATOM 3196 HG21 THR A 237 148.940 187.058 217.771 1.00 32.34 H +ATOM 3197 HG22 THR A 237 150.100 188.003 217.266 1.00 32.34 H +ATOM 3198 HG23 THR A 237 150.006 186.517 216.740 1.00 32.34 H +ATOM 3199 N LEU A 238 153.221 187.032 220.448 1.00 29.19 N +ATOM 3200 CA LEU A 238 153.918 186.651 221.666 1.00 34.33 C +ATOM 3201 C LEU A 238 153.169 185.524 222.366 1.00 32.98 C +ATOM 3202 O LEU A 238 153.776 184.658 222.990 1.00 30.77 O +ATOM 3203 CB LEU A 238 154.064 187.851 222.603 1.00 28.40 C +ATOM 3204 CG LEU A 238 154.743 187.565 223.945 1.00 26.84 C +ATOM 3205 CD1 LEU A 238 156.196 187.203 223.739 1.00 30.25 C +ATOM 3206 CD2 LEU A 238 154.612 188.751 224.882 1.00 36.97 C +ATOM 3207 H LEU A 238 152.932 187.842 220.446 1.00 35.03 H +ATOM 3208 HA LEU A 238 154.806 186.332 221.440 1.00 41.20 H +ATOM 3209 HB2 LEU A 238 154.589 188.530 222.151 1.00 34.08 H +ATOM 3210 HB3 LEU A 238 153.179 188.200 222.794 1.00 34.08 H +ATOM 3211 HG LEU A 238 154.305 186.807 224.363 1.00 32.21 H +ATOM 3212 HD11 LEU A 238 156.603 187.027 224.602 1.00 36.30 H +ATOM 3213 HD12 LEU A 238 156.248 186.411 223.181 1.00 36.30 H +ATOM 3214 HD13 LEU A 238 156.648 187.944 223.306 1.00 36.30 H +ATOM 3215 HD21 LEU A 238 155.051 188.541 225.721 1.00 44.37 H +ATOM 3216 HD22 LEU A 238 155.032 189.524 224.473 1.00 44.37 H +ATOM 3217 HD23 LEU A 238 153.671 188.929 225.035 1.00 44.37 H +ATOM 3218 N ALA A 239 151.847 185.536 222.246 1.00 30.39 N +ATOM 3219 CA ALA A 239 151.013 184.531 222.894 1.00 29.96 C +ATOM 3220 C ALA A 239 151.296 183.139 222.339 1.00 30.38 C +ATOM 3221 O ALA A 239 151.381 182.170 223.091 1.00 34.14 O +ATOM 3222 CB ALA A 239 149.547 184.878 222.725 1.00 26.10 C +ATOM 3223 H ALA A 239 151.405 186.118 221.793 1.00 36.46 H +ATOM 3224 HA ALA A 239 151.211 184.521 223.843 1.00 35.95 H +ATOM 3225 HB1 ALA A 239 149.010 184.198 223.162 1.00 31.32 H +ATOM 3226 HB2 ALA A 239 149.379 185.743 223.129 1.00 31.32 H +ATOM 3227 HB3 ALA A 239 149.337 184.908 221.778 1.00 31.32 H +ATOM 3228 N ARG A 240 151.442 183.040 221.022 1.00 33.16 N +ATOM 3229 CA ARG A 240 151.753 181.763 220.392 1.00 32.12 C +ATOM 3230 C ARG A 240 153.188 181.346 220.705 1.00 27.46 C +ATOM 3231 O ARG A 240 153.451 180.183 221.009 1.00 27.97 O +ATOM 3232 CB ARG A 240 151.542 181.839 218.882 1.00 30.28 C +ATOM 3233 CG ARG A 240 151.673 180.501 218.185 1.00 30.47 C +ATOM 3234 CD ARG A 240 151.230 180.581 216.737 1.00 31.76 C +ATOM 3235 NE ARG A 240 151.337 179.287 216.069 1.00 37.64 N +ATOM 3236 CZ ARG A 240 150.393 178.351 216.078 1.00 39.58 C +ATOM 3237 NH1 ARG A 240 149.251 178.549 216.720 1.00 54.49 N +ATOM 3238 NH2 ARG A 240 150.593 177.206 215.440 1.00 37.42 N +ATOM 3239 H ARG A 240 151.367 183.697 220.472 1.00 39.80 H +ATOM 3240 HA ARG A 240 151.158 181.083 220.745 1.00 38.55 H +ATOM 3241 HB2 ARG A 240 150.651 182.180 218.707 1.00 36.33 H +ATOM 3242 HB3 ARG A 240 152.204 182.438 218.503 1.00 36.33 H +ATOM 3243 HG2 ARG A 240 152.602 180.221 218.203 1.00 36.57 H +ATOM 3244 HG3 ARG A 240 151.116 179.849 218.638 1.00 36.57 H +ATOM 3245 HD2 ARG A 240 150.303 180.865 216.702 1.00 38.11 H +ATOM 3246 HD3 ARG A 240 151.793 181.214 216.265 1.00 38.11 H +ATOM 3247 HE ARG A 240 152.062 179.119 215.639 1.00 45.16 H +ATOM 3248 HH11 ARG A 240 149.115 179.289 217.137 1.00 65.38 H +ATOM 3249 HH12 ARG A 240 148.646 177.938 216.720 1.00 65.38 H +ATOM 3250 HH21 ARG A 240 151.332 177.070 215.021 1.00 44.90 H +ATOM 3251 HH22 ARG A 240 149.983 176.599 215.443 1.00 44.90 H +ATOM 3252 N GLN A 241 154.107 182.303 220.630 1.00 23.72 N +ATOM 3253 CA GLN A 241 155.502 182.062 220.977 1.00 27.98 C +ATOM 3254 C GLN A 241 155.613 181.437 222.364 1.00 28.48 C +ATOM 3255 O GLN A 241 156.383 180.504 222.577 1.00 27.05 O +ATOM 3256 CB GLN A 241 156.302 183.366 220.927 1.00 24.29 C +ATOM 3257 CG GLN A 241 157.802 183.179 221.108 1.00 23.93 C +ATOM 3258 CD GLN A 241 158.514 184.456 221.501 1.00 30.88 C +ATOM 3259 OE1 GLN A 241 158.924 184.619 222.648 1.00 32.17 O +ATOM 3260 NE2 GLN A 241 158.677 185.363 220.547 1.00 37.89 N +ATOM 3261 H GLN A 241 153.945 183.109 220.379 1.00 28.47 H +ATOM 3262 HA GLN A 241 155.887 181.445 220.335 1.00 33.58 H +ATOM 3263 HB2 GLN A 241 156.159 183.787 220.065 1.00 29.15 H +ATOM 3264 HB3 GLN A 241 155.990 183.951 221.634 1.00 29.15 H +ATOM 3265 HG2 GLN A 241 157.956 182.523 221.806 1.00 28.71 H +ATOM 3266 HG3 GLN A 241 158.184 182.868 220.272 1.00 28.71 H +ATOM 3267 HE21 GLN A 241 158.384 185.211 219.754 1.00 45.46 H +ATOM 3268 HE22 GLN A 241 159.076 186.105 220.723 1.00 45.46 H +ATOM 3269 N ARG A 242 154.829 181.956 223.300 1.00 36.14 N +ATOM 3270 CA ARG A 242 154.880 181.501 224.681 1.00 34.08 C +ATOM 3271 C ARG A 242 154.391 180.062 224.836 1.00 30.67 C +ATOM 3272 O ARG A 242 154.840 179.340 225.721 1.00 32.48 O +ATOM 3273 CB ARG A 242 154.059 182.437 225.565 1.00 28.81 C +ATOM 3274 CG ARG A 242 154.776 183.737 225.882 1.00 30.83 C +ATOM 3275 CD ARG A 242 153.967 184.609 226.811 1.00 33.29 C +ATOM 3276 NE ARG A 242 154.716 185.788 227.232 1.00 40.80 N +ATOM 3277 CZ ARG A 242 154.288 186.664 228.136 1.00 52.49 C +ATOM 3278 NH1 ARG A 242 153.109 186.497 228.722 1.00 40.23 N +ATOM 3279 NH2 ARG A 242 155.041 187.706 228.457 1.00 53.54 N +ATOM 3280 H ARG A 242 154.253 182.579 223.159 1.00 43.37 H +ATOM 3281 HA ARG A 242 155.800 181.535 224.987 1.00 40.90 H +ATOM 3282 HB2 ARG A 242 153.232 182.655 225.109 1.00 34.58 H +ATOM 3283 HB3 ARG A 242 153.867 181.989 226.404 1.00 34.58 H +ATOM 3284 HG2 ARG A 242 155.622 183.539 226.313 1.00 36.99 H +ATOM 3285 HG3 ARG A 242 154.926 184.228 225.059 1.00 36.99 H +ATOM 3286 HD2 ARG A 242 153.166 184.906 226.353 1.00 39.95 H +ATOM 3287 HD3 ARG A 242 153.732 184.100 227.603 1.00 39.95 H +ATOM 3288 HE ARG A 242 155.484 185.926 226.872 1.00 48.96 H +ATOM 3289 HH11 ARG A 242 152.618 185.821 228.517 1.00 48.28 H +ATOM 3290 HH12 ARG A 242 152.835 187.066 229.306 1.00 48.28 H +ATOM 3291 HH21 ARG A 242 155.806 187.817 228.079 1.00 64.25 H +ATOM 3292 HH22 ARG A 242 154.765 188.273 229.041 1.00 64.25 H +ATOM 3293 N LYS A 243 153.478 179.648 223.966 1.00 29.56 N +ATOM 3294 CA LYS A 243 152.992 178.276 223.973 1.00 30.79 C +ATOM 3295 C LYS A 243 154.039 177.303 223.438 1.00 34.55 C +ATOM 3296 O LYS A 243 154.095 176.150 223.859 1.00 36.92 O +ATOM 3297 CB LYS A 243 151.715 178.163 223.145 1.00 28.98 C +ATOM 3298 CG LYS A 243 150.504 178.809 223.791 1.00 35.76 C +ATOM 3299 CD LYS A 243 149.291 178.730 222.888 1.00 46.06 C +ATOM 3300 CE LYS A 243 148.039 179.204 223.604 1.00 47.51 C +ATOM 3301 NZ LYS A 243 146.847 179.175 222.716 1.00 63.58 N +ATOM 3302 H LYS A 243 153.123 180.143 223.360 1.00 35.47 H +ATOM 3303 HA LYS A 243 152.783 178.019 224.884 1.00 36.95 H +ATOM 3304 HB2 LYS A 243 151.859 178.596 222.288 1.00 34.78 H +ATOM 3305 HB3 LYS A 243 151.512 177.225 223.009 1.00 34.78 H +ATOM 3306 HG2 LYS A 243 150.298 178.347 224.619 1.00 42.91 H +ATOM 3307 HG3 LYS A 243 150.694 179.744 223.965 1.00 42.91 H +ATOM 3308 HD2 LYS A 243 149.431 179.296 222.113 1.00 55.27 H +ATOM 3309 HD3 LYS A 243 149.155 177.810 222.613 1.00 55.27 H +ATOM 3310 HE2 LYS A 243 147.866 178.623 224.361 1.00 57.01 H +ATOM 3311 HE3 LYS A 243 148.170 180.117 223.905 1.00 57.01 H +ATOM 3312 HZ1 LYS A 243 146.130 179.457 223.161 1.00 76.30 H +ATOM 3313 HZ2 LYS A 243 146.979 179.705 222.014 1.00 76.30 H +ATOM 3314 HZ3 LYS A 243 146.702 178.345 222.430 1.00 76.30 H +ATOM 3315 N LEU A 244 154.870 177.777 222.515 1.00 38.73 N +ATOM 3316 CA LEU A 244 155.839 176.927 221.830 1.00 27.70 C +ATOM 3317 C LEU A 244 157.180 176.845 222.556 1.00 29.06 C +ATOM 3318 O LEU A 244 157.959 175.924 222.317 1.00 33.28 O +ATOM 3319 CB LEU A 244 156.066 177.436 220.403 1.00 25.77 C +ATOM 3320 CG LEU A 244 154.870 177.377 219.451 1.00 23.69 C +ATOM 3321 CD1 LEU A 244 155.212 178.061 218.134 1.00 28.32 C +ATOM 3322 CD2 LEU A 244 154.434 175.943 219.207 1.00 25.12 C +ATOM 3323 H LEU A 244 154.893 178.599 222.264 1.00 46.47 H +ATOM 3324 HA LEU A 244 155.479 176.028 221.771 1.00 33.24 H +ATOM 3325 HB2 LEU A 244 156.346 178.364 220.453 1.00 30.92 H +ATOM 3326 HB3 LEU A 244 156.776 176.910 220.003 1.00 30.92 H +ATOM 3327 HG LEU A 244 154.125 177.852 219.850 1.00 28.43 H +ATOM 3328 HD11 LEU A 244 154.443 178.013 217.544 1.00 33.98 H +ATOM 3329 HD12 LEU A 244 155.438 178.988 218.309 1.00 33.98 H +ATOM 3330 HD13 LEU A 244 155.968 177.606 217.729 1.00 33.98 H +ATOM 3331 HD21 LEU A 244 153.676 175.943 218.601 1.00 30.15 H +ATOM 3332 HD22 LEU A 244 155.172 175.451 218.814 1.00 30.15 H +ATOM 3333 HD23 LEU A 244 154.181 175.542 220.053 1.00 30.15 H +ATOM 3334 N ARG A 245 157.455 177.809 223.427 1.00 28.18 N +ATOM 3335 CA ARG A 245 158.740 177.862 224.119 1.00 28.99 C +ATOM 3336 C ARG A 245 158.765 176.969 225.356 1.00 32.52 C +ATOM 3337 O ARG A 245 157.733 176.697 225.971 1.00 35.96 O +ATOM 3338 CB ARG A 245 159.077 179.304 224.513 1.00 28.76 C +ATOM 3339 CG ARG A 245 159.653 180.142 223.379 1.00 24.76 C +ATOM 3340 CD ARG A 245 159.910 181.583 223.804 1.00 26.37 C +ATOM 3341 NE ARG A 245 160.840 181.686 224.927 1.00 26.29 N +ATOM 3342 CZ ARG A 245 161.180 182.828 225.518 1.00 28.39 C +ATOM 3343 NH1 ARG A 245 160.669 183.977 225.097 1.00 30.10 N +ATOM 3344 NH2 ARG A 245 162.032 182.826 226.532 1.00 24.59 N +ATOM 3345 H ARG A 245 156.915 178.445 223.636 1.00 33.82 H +ATOM 3346 HA ARG A 245 159.432 177.551 223.515 1.00 34.79 H +ATOM 3347 HB2 ARG A 245 158.267 179.740 224.820 1.00 34.51 H +ATOM 3348 HB3 ARG A 245 159.731 179.286 225.228 1.00 34.51 H +ATOM 3349 HG2 ARG A 245 160.496 179.755 223.095 1.00 29.72 H +ATOM 3350 HG3 ARG A 245 159.024 180.152 222.641 1.00 29.72 H +ATOM 3351 HD2 ARG A 245 160.290 182.070 223.056 1.00 31.65 H +ATOM 3352 HD3 ARG A 245 159.071 181.988 224.072 1.00 31.65 H +ATOM 3353 HE ARG A 245 161.190 180.960 225.226 1.00 31.54 H +ATOM 3354 HH11 ARG A 245 160.116 183.986 224.439 1.00 36.13 H +ATOM 3355 HH12 ARG A 245 160.892 184.713 225.482 1.00 36.13 H +ATOM 3356 HH21 ARG A 245 162.367 182.084 226.811 1.00 29.50 H +ATOM 3357 HH22 ARG A 245 162.250 183.566 226.912 1.00 29.50 H +ATOM 3358 N LEU A 246 159.963 176.520 225.714 1.00 37.64 N +ATOM 3359 CA LEU A 246 160.164 175.667 226.877 1.00 40.15 C +ATOM 3360 C LEU A 246 160.427 176.501 228.129 1.00 39.11 C +ATOM 3361 O LEU A 246 160.190 176.050 229.248 1.00 34.56 O +ATOM 3362 CB LEU A 246 161.328 174.706 226.622 1.00 41.65 C +ATOM 3363 CG LEU A 246 161.644 173.667 227.698 1.00 38.46 C +ATOM 3364 CD1 LEU A 246 160.442 172.778 227.973 1.00 42.41 C +ATOM 3365 CD2 LEU A 246 162.838 172.833 227.273 1.00 39.18 C +ATOM 3366 H LEU A 246 160.689 176.700 225.289 1.00 45.17 H +ATOM 3367 HA LEU A 246 159.364 175.140 227.028 1.00 48.19 H +ATOM 3368 HB2 LEU A 246 161.139 174.219 225.805 1.00 49.98 H +ATOM 3369 HB3 LEU A 246 162.131 175.236 226.496 1.00 49.98 H +ATOM 3370 HG LEU A 246 161.874 174.124 228.521 1.00 46.15 H +ATOM 3371 HD11 LEU A 246 160.678 172.133 228.658 1.00 50.90 H +ATOM 3372 HD12 LEU A 246 159.705 173.329 228.276 1.00 50.90 H +ATOM 3373 HD13 LEU A 246 160.197 172.317 227.155 1.00 50.90 H +ATOM 3374 HD21 LEU A 246 163.027 172.178 227.963 1.00 47.01 H +ATOM 3375 HD22 LEU A 246 162.628 172.383 226.439 1.00 47.01 H +ATOM 3376 HD23 LEU A 246 163.603 173.416 227.151 1.00 47.01 H +ATOM 3377 N PHE A 247 160.921 177.720 227.918 1.00 31.72 N +ATOM 3378 CA PHE A 247 161.289 178.632 229.002 1.00 34.37 C +ATOM 3379 C PHE A 247 162.350 178.009 229.906 1.00 36.10 C +ATOM 3380 O PHE A 247 162.419 178.285 231.102 1.00 32.65 O +ATOM 3381 CB PHE A 247 160.050 179.050 229.798 1.00 26.47 C +ATOM 3382 CG PHE A 247 159.160 179.988 229.045 1.00 26.84 C +ATOM 3383 CD1 PHE A 247 159.520 181.313 228.885 1.00 29.77 C +ATOM 3384 CD2 PHE A 247 157.985 179.542 228.471 1.00 30.44 C +ATOM 3385 CE1 PHE A 247 158.719 182.181 228.179 1.00 27.97 C +ATOM 3386 CE2 PHE A 247 157.179 180.408 227.763 1.00 34.79 C +ATOM 3387 CZ PHE A 247 157.548 181.730 227.618 1.00 39.32 C +ATOM 3388 H PHE A 247 161.055 178.051 227.136 1.00 38.06 H +ATOM 3389 HA PHE A 247 161.671 179.435 228.613 1.00 41.25 H +ATOM 3390 HB2 PHE A 247 159.534 178.258 230.017 1.00 31.77 H +ATOM 3391 HB3 PHE A 247 160.334 179.495 230.612 1.00 31.77 H +ATOM 3392 HD1 PHE A 247 160.311 181.623 229.262 1.00 35.73 H +ATOM 3393 HD2 PHE A 247 157.734 178.652 228.565 1.00 36.53 H +ATOM 3394 HE1 PHE A 247 158.969 183.072 228.084 1.00 33.56 H +ATOM 3395 HE2 PHE A 247 156.386 180.102 227.384 1.00 41.75 H +ATOM 3396 HZ PHE A 247 157.003 182.316 227.143 1.00 47.19 H +ATOM 3397 N LYS A 248 163.178 177.171 229.294 1.00 40.76 N +ATOM 3398 CA LYS A 248 164.377 176.638 229.916 1.00 34.66 C +ATOM 3399 C LYS A 248 165.491 176.678 228.880 1.00 35.78 C +ATOM 3400 O LYS A 248 165.338 176.155 227.776 1.00 37.02 O +ATOM 3401 CB LYS A 248 164.141 175.211 230.424 1.00 54.09 C +ATOM 3402 CG LYS A 248 165.405 174.386 230.671 1.00 51.05 C +ATOM 3403 CD LYS A 248 165.062 172.920 230.892 1.00 66.63 C +ATOM 3404 CE LYS A 248 166.170 172.001 230.382 1.00 87.83 C +ATOM 3405 NZ LYS A 248 165.682 170.611 230.151 1.00 70.47 N +ATOM 3406 H LYS A 248 163.059 176.889 228.490 1.00 48.91 H +ATOM 3407 HA LYS A 248 164.631 177.196 230.668 1.00 41.59 H +ATOM 3408 HB2 LYS A 248 163.656 175.260 231.263 1.00 64.90 H +ATOM 3409 HB3 LYS A 248 163.606 174.736 229.769 1.00 64.90 H +ATOM 3410 HG2 LYS A 248 165.988 174.450 229.899 1.00 61.26 H +ATOM 3411 HG3 LYS A 248 165.856 174.717 231.464 1.00 61.26 H +ATOM 3412 HD2 LYS A 248 164.946 172.758 231.841 1.00 79.95 H +ATOM 3413 HD3 LYS A 248 164.246 172.707 230.412 1.00 79.95 H +ATOM 3414 HE2 LYS A 248 166.509 172.346 229.542 1.00105.40 H +ATOM 3415 HE3 LYS A 248 166.882 171.966 231.040 1.00105.40 H +ATOM 3416 HZ1 LYS A 248 166.348 170.100 229.856 1.00 84.56 H +ATOM 3417 HZ2 LYS A 248 165.370 170.269 230.911 1.00 84.56 H +ATOM 3418 HZ3 LYS A 248 165.029 170.615 229.546 1.00 84.56 H +ATOM 3419 N ASP A 249 166.600 177.319 229.233 1.00 27.64 N +ATOM 3420 CA ASP A 249 167.780 177.363 228.372 1.00 45.14 C +ATOM 3421 C ASP A 249 167.487 177.975 227.003 1.00 46.66 C +ATOM 3422 O ASP A 249 168.188 177.693 226.031 1.00 40.73 O +ATOM 3423 CB ASP A 249 168.355 175.955 228.197 1.00 56.50 C +ATOM 3424 CG ASP A 249 168.786 175.337 229.510 1.00 55.31 C +ATOM 3425 OD1 ASP A 249 169.151 176.097 230.432 1.00 58.79 O +ATOM 3426 OD2 ASP A 249 168.760 174.094 229.619 1.00 56.40 O +ATOM 3427 H ASP A 249 166.697 177.742 229.975 1.00 33.17 H +ATOM 3428 HA ASP A 249 168.457 177.909 228.801 1.00 54.17 H +ATOM 3429 HB2 ASP A 249 167.678 175.382 227.803 1.00 67.80 H +ATOM 3430 HB3 ASP A 249 169.131 176.000 227.617 1.00 67.80 H +ATOM 3431 N GLY A 250 166.452 178.808 226.932 1.00 36.66 N +ATOM 3432 CA GLY A 250 166.122 179.521 225.710 1.00 35.64 C +ATOM 3433 C GLY A 250 165.503 178.644 224.641 1.00 36.04 C +ATOM 3434 O GLY A 250 165.294 179.084 223.512 1.00 35.12 O +ATOM 3435 H GLY A 250 165.922 178.977 227.587 1.00 43.99 H +ATOM 3436 HA2 GLY A 250 165.498 180.234 225.916 1.00 42.77 H +ATOM 3437 HA3 GLY A 250 166.928 179.919 225.346 1.00 42.77 H +ATOM 3438 N LYS A 251 165.185 177.409 225.004 1.00 36.49 N +ATOM 3439 CA LYS A 251 164.803 176.403 224.022 1.00 34.25 C +ATOM 3440 C LYS A 251 163.323 176.419 223.663 1.00 26.37 C +ATOM 3441 O LYS A 251 162.507 177.051 224.328 1.00 32.12 O +ATOM 3442 CB LYS A 251 165.190 175.014 224.530 1.00 43.48 C +ATOM 3443 CG LYS A 251 166.667 174.716 224.353 1.00 43.20 C +ATOM 3444 CD LYS A 251 167.051 173.352 224.875 1.00 42.93 C +ATOM 3445 CE LYS A 251 168.510 173.060 224.566 1.00 52.04 C +ATOM 3446 NZ LYS A 251 168.901 171.667 224.902 1.00 48.12 N +ATOM 3447 H LYS A 251 165.183 177.126 225.816 1.00 43.79 H +ATOM 3448 HA LYS A 251 165.302 176.566 223.206 1.00 41.10 H +ATOM 3449 HB2 LYS A 251 164.984 174.955 225.476 1.00 52.18 H +ATOM 3450 HB3 LYS A 251 164.688 174.346 224.038 1.00 52.18 H +ATOM 3451 HG2 LYS A 251 166.885 174.749 223.409 1.00 51.84 H +ATOM 3452 HG3 LYS A 251 167.183 175.379 224.837 1.00 51.84 H +ATOM 3453 HD2 LYS A 251 166.930 173.327 225.837 1.00 51.52 H +ATOM 3454 HD3 LYS A 251 166.504 172.675 224.446 1.00 51.52 H +ATOM 3455 HE2 LYS A 251 168.665 173.195 223.618 1.00 62.45 H +ATOM 3456 HE3 LYS A 251 169.069 173.662 225.082 1.00 62.45 H +ATOM 3457 HZ1 LYS A 251 169.759 171.536 224.707 1.00 57.74 H +ATOM 3458 HZ2 LYS A 251 168.776 171.518 225.771 1.00 57.74 H +ATOM 3459 HZ3 LYS A 251 168.407 171.092 224.436 1.00 57.74 H +ATOM 3460 N MET A 252 163.007 175.717 222.582 1.00 27.06 N +ATOM 3461 CA MET A 252 161.636 175.507 222.144 1.00 31.16 C +ATOM 3462 C MET A 252 161.180 174.118 222.579 1.00 37.37 C +ATOM 3463 O MET A 252 161.980 173.185 222.597 1.00 34.58 O +ATOM 3464 CB MET A 252 161.541 175.654 220.624 1.00 36.29 C +ATOM 3465 CG MET A 252 161.834 177.057 220.119 1.00 32.31 C +ATOM 3466 SD MET A 252 160.436 178.175 220.311 1.00 29.94 S +ATOM 3467 CE MET A 252 159.435 177.686 218.911 1.00 26.23 C +ATOM 3468 H MET A 252 163.588 175.341 222.072 1.00 32.48 H +ATOM 3469 HA MET A 252 161.063 176.175 222.551 1.00 37.39 H +ATOM 3470 HB2 MET A 252 162.180 175.051 220.212 1.00 43.55 H +ATOM 3471 HB3 MET A 252 160.642 175.421 220.344 1.00 43.55 H +ATOM 3472 HG2 MET A 252 162.581 177.423 220.619 1.00 38.78 H +ATOM 3473 HG3 MET A 252 162.056 177.013 219.176 1.00 38.78 H +ATOM 3474 HE1 MET A 252 158.629 178.225 218.896 1.00 31.48 H +ATOM 3475 HE2 MET A 252 159.943 177.827 218.096 1.00 31.48 H +ATOM 3476 HE3 MET A 252 159.205 176.748 219.000 1.00 31.48 H +ATOM 3477 N LYS A 253 159.906 173.985 222.940 1.00 28.95 N +ATOM 3478 CA LYS A 253 159.347 172.688 223.317 1.00 34.62 C +ATOM 3479 C LYS A 253 159.559 171.666 222.206 1.00 34.99 C +ATOM 3480 O LYS A 253 159.667 172.029 221.038 1.00 39.15 O +ATOM 3481 CB LYS A 253 157.854 172.809 223.631 1.00 39.68 C +ATOM 3482 CG LYS A 253 157.527 173.429 224.984 1.00 32.57 C +ATOM 3483 CD LYS A 253 156.046 173.275 225.301 1.00 47.27 C +ATOM 3484 CE LYS A 253 155.692 173.798 226.685 1.00 40.21 C +ATOM 3485 NZ LYS A 253 154.999 175.121 226.627 1.00 64.66 N +ATOM 3486 H LYS A 253 159.342 174.633 222.976 1.00 34.74 H +ATOM 3487 HA LYS A 253 159.798 172.367 224.114 1.00 41.55 H +ATOM 3488 HB2 LYS A 253 157.439 173.360 222.948 1.00 47.62 H +ATOM 3489 HB3 LYS A 253 157.462 171.921 223.613 1.00 47.62 H +ATOM 3490 HG2 LYS A 253 158.037 172.981 225.676 1.00 39.08 H +ATOM 3491 HG3 LYS A 253 157.740 174.375 224.965 1.00 39.08 H +ATOM 3492 HD2 LYS A 253 155.529 173.774 224.650 1.00 56.73 H +ATOM 3493 HD3 LYS A 253 155.810 172.335 225.265 1.00 56.73 H +ATOM 3494 HE2 LYS A 253 155.100 173.165 227.121 1.00 48.25 H +ATOM 3495 HE3 LYS A 253 156.505 173.905 227.202 1.00 48.25 H +ATOM 3496 HZ1 LYS A 253 154.805 175.399 227.450 1.00 77.59 H +ATOM 3497 HZ2 LYS A 253 155.525 175.722 226.234 1.00 77.59 H +ATOM 3498 HZ3 LYS A 253 154.244 175.048 226.161 1.00 77.59 H +ATOM 3499 N TYR A 254 159.616 170.390 222.569 1.00 37.84 N +ATOM 3500 CA TYR A 254 159.839 169.335 221.588 1.00 41.20 C +ATOM 3501 C TYR A 254 159.478 167.956 222.131 1.00 42.97 C +ATOM 3502 O TYR A 254 159.245 167.788 223.326 1.00 34.67 O +ATOM 3503 CB TYR A 254 161.300 169.338 221.130 1.00 34.78 C +ATOM 3504 CG TYR A 254 162.289 169.080 222.244 1.00 32.97 C +ATOM 3505 CD1 TYR A 254 162.780 170.122 223.013 1.00 35.79 C +ATOM 3506 CD2 TYR A 254 162.729 167.795 222.526 1.00 39.86 C +ATOM 3507 CE1 TYR A 254 163.682 169.896 224.032 1.00 49.88 C +ATOM 3508 CE2 TYR A 254 163.632 167.557 223.545 1.00 38.35 C +ATOM 3509 CZ TYR A 254 164.104 168.612 224.295 1.00 44.40 C +ATOM 3510 OH TYR A 254 165.004 168.385 225.311 1.00 49.89 O +ATOM 3511 H TYR A 254 159.529 170.108 223.377 1.00 45.40 H +ATOM 3512 HA TYR A 254 159.283 169.505 220.812 1.00 49.44 H +ATOM 3513 HB2 TYR A 254 161.419 168.645 220.461 1.00 41.74 H +ATOM 3514 HB3 TYR A 254 161.505 170.204 220.745 1.00 41.74 H +ATOM 3515 HD1 TYR A 254 162.497 170.991 222.839 1.00 42.95 H +ATOM 3516 HD2 TYR A 254 162.411 167.082 222.021 1.00 47.84 H +ATOM 3517 HE1 TYR A 254 164.002 170.606 224.539 1.00 59.85 H +ATOM 3518 HE2 TYR A 254 163.919 166.691 223.724 1.00 46.02 H +ATOM 3519 HH TYR A 254 165.176 167.565 225.364 1.00 59.86 H +ATOM 3520 N GLN A 255 159.432 166.979 221.230 1.00 43.45 N +ATOM 3521 CA GLN A 255 159.242 165.579 221.590 1.00 44.28 C +ATOM 3522 C GLN A 255 160.474 164.775 221.220 1.00 43.58 C +ATOM 3523 O GLN A 255 161.169 165.117 220.268 1.00 40.20 O +ATOM 3524 CB GLN A 255 158.038 164.975 220.869 1.00 46.30 C +ATOM 3525 CG GLN A 255 156.696 165.539 221.243 1.00 50.12 C +ATOM 3526 CD GLN A 255 155.579 164.884 220.455 1.00 48.24 C +ATOM 3527 OE1 GLN A 255 155.011 163.881 220.881 1.00 62.17 O +ATOM 3528 NE2 GLN A 255 155.271 165.442 219.291 1.00 40.01 N +ATOM 3529 H GLN A 255 159.509 167.107 220.383 1.00 52.15 H +ATOM 3530 HA GLN A 255 159.099 165.505 222.547 1.00 53.14 H +ATOM 3531 HB2 GLN A 255 158.153 165.111 219.916 1.00 55.57 H +ATOM 3532 HB3 GLN A 255 158.014 164.024 221.058 1.00 55.57 H +ATOM 3533 HG2 GLN A 255 156.535 165.382 222.187 1.00 60.14 H +ATOM 3534 HG3 GLN A 255 156.685 166.490 221.054 1.00 60.14 H +ATOM 3535 HE21 GLN A 255 155.698 166.138 219.021 1.00 48.01 H +ATOM 3536 HE22 GLN A 255 154.644 165.107 218.806 1.00 48.01 H +ATOM 3537 N ILE A 256 160.734 163.703 221.962 1.00 45.12 N +ATOM 3538 CA ILE A 256 161.675 162.682 221.520 1.00 38.88 C +ATOM 3539 C ILE A 256 160.889 161.446 221.104 1.00 50.99 C +ATOM 3540 O ILE A 256 160.298 160.763 221.939 1.00 59.92 O +ATOM 3541 CB ILE A 256 162.696 162.303 222.604 1.00 39.70 C +ATOM 3542 CG1 ILE A 256 163.427 163.547 223.115 1.00 33.52 C +ATOM 3543 CG2 ILE A 256 163.695 161.285 222.057 1.00 36.20 C +ATOM 3544 CD1 ILE A 256 164.180 164.315 222.045 1.00 42.55 C +ATOM 3545 H ILE A 256 160.376 163.544 222.728 1.00 54.14 H +ATOM 3546 HA ILE A 256 162.161 163.008 220.747 1.00 46.66 H +ATOM 3547 HB ILE A 256 162.220 161.899 223.347 1.00 47.64 H +ATOM 3548 HG12 ILE A 256 162.777 164.150 223.508 1.00 40.22 H +ATOM 3549 HG13 ILE A 256 164.070 163.274 223.789 1.00 40.22 H +ATOM 3550 HG21 ILE A 256 164.330 161.059 222.755 1.00 43.43 H +ATOM 3551 HG22 ILE A 256 163.215 160.490 221.776 1.00 43.43 H +ATOM 3552 HG23 ILE A 256 164.160 161.675 221.300 1.00 43.43 H +ATOM 3553 HD11 ILE A 256 164.611 165.083 222.453 1.00 51.06 H +ATOM 3554 HD12 ILE A 256 164.846 163.733 221.648 1.00 51.06 H +ATOM 3555 HD13 ILE A 256 163.552 164.610 221.367 1.00 51.06 H +ATOM 3556 N ILE A 257 160.875 161.183 219.802 1.00 37.93 N +ATOM 3557 CA ILE A 257 160.216 160.013 219.239 1.00 42.10 C +ATOM 3558 C ILE A 257 161.240 159.215 218.450 1.00 46.98 C +ATOM 3559 O ILE A 257 161.921 159.760 217.584 1.00 42.09 O +ATOM 3560 CB ILE A 257 159.037 160.390 218.317 1.00 37.30 C +ATOM 3561 CG1 ILE A 257 158.120 161.411 219.003 1.00 36.12 C +ATOM 3562 CG2 ILE A 257 158.261 159.137 217.923 1.00 38.29 C +ATOM 3563 CD1 ILE A 257 156.980 161.911 218.134 1.00 34.93 C +ATOM 3564 H ILE A 257 161.251 161.681 219.210 1.00 45.51 H +ATOM 3565 HA ILE A 257 159.878 159.456 219.958 1.00 50.52 H +ATOM 3566 HB ILE A 257 159.396 160.794 217.511 1.00 44.75 H +ATOM 3567 HG12 ILE A 257 157.731 160.999 219.790 1.00 43.34 H +ATOM 3568 HG13 ILE A 257 158.651 162.179 219.264 1.00 43.34 H +ATOM 3569 HG21 ILE A 257 157.525 159.390 217.345 1.00 45.95 H +ATOM 3570 HG22 ILE A 257 158.857 158.531 217.455 1.00 45.95 H +ATOM 3571 HG23 ILE A 257 157.921 158.712 218.726 1.00 45.95 H +ATOM 3572 HD11 ILE A 257 156.453 162.548 218.641 1.00 41.91 H +ATOM 3573 HD12 ILE A 257 157.349 162.339 217.345 1.00 41.91 H +ATOM 3574 HD13 ILE A 257 156.428 161.157 217.873 1.00 41.91 H +ATOM 3575 N ASP A 258 161.350 157.926 218.762 1.00 45.08 N +ATOM 3576 CA ASP A 258 162.332 157.056 218.121 1.00 37.21 C +ATOM 3577 C ASP A 258 163.748 157.597 218.306 1.00 39.50 C +ATOM 3578 O ASP A 258 164.610 157.408 217.450 1.00 41.23 O +ATOM 3579 CB ASP A 258 162.024 156.900 216.630 1.00 41.87 C +ATOM 3580 CG ASP A 258 160.611 156.420 216.373 1.00 43.46 C +ATOM 3581 OD1 ASP A 258 160.118 155.579 217.149 1.00 51.67 O +ATOM 3582 OD2 ASP A 258 159.992 156.888 215.394 1.00 52.27 O +ATOM 3583 H ASP A 258 160.862 157.527 219.347 1.00 54.09 H +ATOM 3584 HA ASP A 258 162.290 156.178 218.530 1.00 44.66 H +ATOM 3585 HB2 ASP A 258 162.134 157.758 216.192 1.00 50.25 H +ATOM 3586 HB3 ASP A 258 162.635 156.251 216.247 1.00 50.25 H +ATOM 3587 N GLY A 259 163.974 158.280 219.424 1.00 39.21 N +ATOM 3588 CA GLY A 259 165.290 158.797 219.758 1.00 38.41 C +ATOM 3589 C GLY A 259 165.662 160.078 219.028 1.00 47.90 C +ATOM 3590 O GLY A 259 166.829 160.471 219.024 1.00 41.29 O +ATOM 3591 H GLY A 259 163.372 158.458 220.012 1.00 47.06 H +ATOM 3592 HA2 GLY A 259 165.329 158.972 220.711 1.00 46.09 H +ATOM 3593 HA3 GLY A 259 165.957 158.126 219.546 1.00 46.09 H +ATOM 3594 N GLU A 260 164.678 160.730 218.416 1.00 42.91 N +ATOM 3595 CA GLU A 260 164.924 161.947 217.644 1.00 40.69 C +ATOM 3596 C GLU A 260 163.976 163.080 218.024 1.00 36.40 C +ATOM 3597 O GLU A 260 162.847 162.843 218.439 1.00 39.30 O +ATOM 3598 CB GLU A 260 164.799 161.655 216.152 1.00 46.48 C +ATOM 3599 CG GLU A 260 165.853 160.702 215.631 1.00 47.30 C +ATOM 3600 CD GLU A 260 166.392 161.125 214.286 1.00 64.55 C +ATOM 3601 OE1 GLU A 260 165.758 160.797 213.261 1.00 71.85 O +ATOM 3602 OE2 GLU A 260 167.446 161.795 214.254 1.00 68.33 O +ATOM 3603 H GLU A 260 163.853 160.487 218.432 1.00 51.49 H +ATOM 3604 HA GLU A 260 165.830 162.248 217.814 1.00 48.83 H +ATOM 3605 HB2 GLU A 260 163.930 161.260 215.982 1.00 55.78 H +ATOM 3606 HB3 GLU A 260 164.884 162.488 215.662 1.00 55.78 H +ATOM 3607 HG2 GLU A 260 166.594 160.674 216.257 1.00 56.77 H +ATOM 3608 HG3 GLU A 260 165.464 159.819 215.536 1.00 56.77 H +ATOM 3609 N MET A 261 164.447 164.312 217.862 1.00 40.15 N +ATOM 3610 CA MET A 261 163.682 165.489 218.258 1.00 35.69 C +ATOM 3611 C MET A 261 162.631 165.867 217.219 1.00 28.90 C +ATOM 3612 O MET A 261 162.937 166.016 216.039 1.00 35.33 O +ATOM 3613 CB MET A 261 164.618 166.676 218.497 1.00 29.30 C +ATOM 3614 CG MET A 261 163.900 167.965 218.876 1.00 33.09 C +ATOM 3615 SD MET A 261 165.027 169.341 219.171 1.00 41.53 S +ATOM 3616 CE MET A 261 165.928 168.753 220.601 1.00 39.82 C +ATOM 3617 H MET A 261 165.216 164.495 217.522 1.00 48.17 H +ATOM 3618 HA MET A 261 163.233 165.298 219.095 1.00 42.83 H +ATOM 3619 HB2 MET A 261 165.226 166.453 219.219 1.00 35.16 H +ATOM 3620 HB3 MET A 261 165.121 166.845 217.685 1.00 35.16 H +ATOM 3621 HG2 MET A 261 163.303 168.217 218.154 1.00 39.71 H +ATOM 3622 HG3 MET A 261 163.392 167.816 219.689 1.00 39.71 H +ATOM 3623 HE1 MET A 261 166.580 169.423 220.861 1.00 47.78 H +ATOM 3624 HE2 MET A 261 165.303 168.600 221.327 1.00 47.78 H +ATOM 3625 HE3 MET A 261 166.378 167.925 220.371 1.00 47.78 H +ATOM 3626 N TYR A 262 161.393 166.019 217.674 1.00 36.93 N +ATOM 3627 CA TYR A 262 160.296 166.463 216.824 1.00 32.43 C +ATOM 3628 C TYR A 262 159.572 167.629 217.480 1.00 37.60 C +ATOM 3629 O TYR A 262 159.756 167.882 218.669 1.00 37.77 O +ATOM 3630 CB TYR A 262 159.322 165.317 216.558 1.00 29.35 C +ATOM 3631 CG TYR A 262 159.849 164.294 215.582 1.00 40.86 C +ATOM 3632 CD1 TYR A 262 160.423 163.111 216.026 1.00 38.18 C +ATOM 3633 CD2 TYR A 262 159.777 164.516 214.214 1.00 40.62 C +ATOM 3634 CE1 TYR A 262 160.905 162.179 215.137 1.00 36.14 C +ATOM 3635 CE2 TYR A 262 160.258 163.586 213.318 1.00 43.21 C +ATOM 3636 CZ TYR A 262 160.820 162.419 213.785 1.00 39.53 C +ATOM 3637 OH TYR A 262 161.300 161.489 212.894 1.00 41.76 O +ATOM 3638 H TYR A 262 161.159 165.869 218.488 1.00 44.32 H +ATOM 3639 HA TYR A 262 160.652 166.765 215.973 1.00 38.91 H +ATOM 3640 HB2 TYR A 262 159.137 164.862 217.394 1.00 35.22 H +ATOM 3641 HB3 TYR A 262 158.501 165.682 216.192 1.00 35.22 H +ATOM 3642 HD1 TYR A 262 160.481 162.945 216.939 1.00 45.82 H +ATOM 3643 HD2 TYR A 262 159.397 165.303 213.897 1.00 48.74 H +ATOM 3644 HE1 TYR A 262 161.285 161.389 215.448 1.00 43.37 H +ATOM 3645 HE2 TYR A 262 160.203 163.745 212.403 1.00 51.86 H +ATOM 3646 HH TYR A 262 161.186 161.760 212.107 1.00 50.11 H +ATOM 3647 N PRO A 263 158.745 168.346 216.708 1.00 40.61 N +ATOM 3648 CA PRO A 263 157.973 169.434 217.313 1.00 41.57 C +ATOM 3649 C PRO A 263 156.987 168.900 218.342 1.00 41.97 C +ATOM 3650 O PRO A 263 156.600 167.736 218.265 1.00 45.56 O +ATOM 3651 CB PRO A 263 157.242 170.062 216.120 1.00 42.62 C +ATOM 3652 CG PRO A 263 157.979 169.597 214.912 1.00 44.39 C +ATOM 3653 CD PRO A 263 158.512 168.248 215.258 1.00 43.92 C +ATOM 3654 HA PRO A 263 158.560 170.088 217.723 1.00 49.88 H +ATOM 3655 HB2 PRO A 263 156.323 169.752 216.101 1.00 51.14 H +ATOM 3656 HB3 PRO A 263 157.276 171.029 216.190 1.00 51.14 H +ATOM 3657 HG2 PRO A 263 157.368 169.540 214.160 1.00 53.26 H +ATOM 3658 HG3 PRO A 263 158.704 170.211 214.716 1.00 53.26 H +ATOM 3659 HD2 PRO A 263 157.853 167.563 215.066 1.00 52.70 H +ATOM 3660 HD3 PRO A 263 159.346 168.083 214.791 1.00 52.70 H +ATOM 3661 N PRO A 264 156.580 169.745 219.295 1.00 41.53 N +ATOM 3662 CA PRO A 264 155.630 169.306 220.317 1.00 45.47 C +ATOM 3663 C PRO A 264 154.237 169.125 219.732 1.00 42.79 C +ATOM 3664 O PRO A 264 154.007 169.472 218.574 1.00 37.52 O +ATOM 3665 CB PRO A 264 155.666 170.444 221.333 1.00 49.49 C +ATOM 3666 CG PRO A 264 155.972 171.650 220.504 1.00 53.29 C +ATOM 3667 CD PRO A 264 156.889 171.180 219.408 1.00 44.65 C +ATOM 3668 HA PRO A 264 155.926 168.481 220.733 1.00 54.57 H +ATOM 3669 HB2 PRO A 264 154.802 170.530 221.765 1.00 59.39 H +ATOM 3670 HB3 PRO A 264 156.367 170.284 221.985 1.00 59.39 H +ATOM 3671 HG2 PRO A 264 155.150 172.004 220.132 1.00 63.95 H +ATOM 3672 HG3 PRO A 264 156.413 172.317 221.054 1.00 63.95 H +ATOM 3673 HD2 PRO A 264 156.685 171.637 218.577 1.00 53.58 H +ATOM 3674 HD3 PRO A 264 157.816 171.307 219.665 1.00 53.58 H +ATOM 3675 N THR A 265 153.319 168.594 220.528 1.00 50.55 N +ATOM 3676 CA THR A 265 151.952 168.379 220.078 1.00 47.07 C +ATOM 3677 C THR A 265 151.084 169.595 220.358 1.00 39.35 C +ATOM 3678 O THR A 265 151.437 170.452 221.166 1.00 29.47 O +ATOM 3679 CB THR A 265 151.318 167.159 220.767 1.00 45.84 C +ATOM 3680 OG1 THR A 265 151.282 167.379 222.183 1.00 44.17 O +ATOM 3681 CG2 THR A 265 152.115 165.900 220.468 1.00 43.48 C +ATOM 3682 H THR A 265 153.464 168.348 221.339 1.00 60.66 H +ATOM 3683 HA THR A 265 151.953 168.220 219.121 1.00 56.49 H +ATOM 3684 HB THR A 265 150.415 167.036 220.437 1.00 55.01 H +ATOM 3685 HG1 THR A 265 150.937 166.716 222.567 1.00 53.00 H +ATOM 3686 HG21 THR A 265 151.706 165.137 220.907 1.00 52.18 H +ATOM 3687 HG22 THR A 265 152.134 165.739 219.512 1.00 52.18 H +ATOM 3688 HG23 THR A 265 153.024 165.999 220.790 1.00 52.18 H +ATOM 3689 N VAL A 266 149.945 169.660 219.679 1.00 37.63 N +ATOM 3690 CA VAL A 266 148.931 170.662 219.965 1.00 40.19 C +ATOM 3691 C VAL A 266 148.416 170.496 221.393 1.00 41.53 C +ATOM 3692 O VAL A 266 148.128 171.478 222.073 1.00 44.10 O +ATOM 3693 CB VAL A 266 147.758 170.565 218.961 1.00 42.11 C +ATOM 3694 CG1 VAL A 266 146.511 171.298 219.473 1.00 35.98 C +ATOM 3695 CG2 VAL A 266 148.186 171.112 217.608 1.00 42.44 C +ATOM 3696 H VAL A 266 149.735 169.127 219.038 1.00 45.16 H +ATOM 3697 HA VAL A 266 149.325 171.545 219.886 1.00 48.23 H +ATOM 3698 HB VAL A 266 147.525 169.631 218.842 1.00 50.54 H +ATOM 3699 HG11 VAL A 266 145.803 171.213 218.816 1.00 43.18 H +ATOM 3700 HG12 VAL A 266 146.234 170.899 220.313 1.00 43.18 H +ATOM 3701 HG13 VAL A 266 146.728 172.234 219.607 1.00 43.18 H +ATOM 3702 HG21 VAL A 266 147.441 171.044 216.991 1.00 50.92 H +ATOM 3703 HG22 VAL A 266 148.447 172.040 217.711 1.00 50.92 H +ATOM 3704 HG23 VAL A 266 148.936 170.591 217.280 1.00 50.92 H +ATOM 3705 N LYS A 267 148.303 169.251 221.843 1.00 50.55 N +ATOM 3706 CA LYS A 267 147.799 168.970 223.183 1.00 58.38 C +ATOM 3707 C LYS A 267 148.721 169.541 224.258 1.00 59.54 C +ATOM 3708 O LYS A 267 148.259 170.091 225.256 1.00 64.09 O +ATOM 3709 CB LYS A 267 147.631 167.463 223.393 1.00 67.23 C +ATOM 3710 CG LYS A 267 147.087 167.091 224.768 1.00 84.19 C +ATOM 3711 CD LYS A 267 146.935 165.590 224.932 1.00100.21 C +ATOM 3712 CE LYS A 267 146.267 165.244 226.254 1.00111.03 C +ATOM 3713 NZ LYS A 267 146.062 163.779 226.412 1.00119.37 N +ATOM 3714 H LYS A 267 148.512 168.549 221.392 1.00 60.66 H +ATOM 3715 HA LYS A 267 146.928 169.385 223.285 1.00 70.05 H +ATOM 3716 HB2 LYS A 267 147.014 167.121 222.728 1.00 80.68 H +ATOM 3717 HB3 LYS A 267 148.496 167.035 223.290 1.00 80.68 H +ATOM 3718 HG2 LYS A 267 147.700 167.409 225.449 1.00101.03 H +ATOM 3719 HG3 LYS A 267 146.215 167.499 224.886 1.00101.03 H +ATOM 3720 HD2 LYS A 267 146.384 165.243 224.212 1.00120.25 H +ATOM 3721 HD3 LYS A 267 147.811 165.174 224.915 1.00120.25 H +ATOM 3722 HE2 LYS A 267 146.827 165.551 226.984 1.00133.24 H +ATOM 3723 HE3 LYS A 267 145.399 165.676 226.295 1.00133.24 H +ATOM 3724 HZ1 LYS A 267 145.671 163.609 227.193 1.00143.25 H +ATOM 3725 HZ2 LYS A 267 145.545 163.472 225.756 1.00143.25 H +ATOM 3726 HZ3 LYS A 267 146.846 163.358 226.383 1.00143.25 H +ATOM 3727 N ASP A 268 150.025 169.412 224.046 1.00 56.87 N +ATOM 3728 CA ASP A 268 151.002 169.817 225.050 1.00 56.25 C +ATOM 3729 C ASP A 268 151.256 171.326 225.054 1.00 62.52 C +ATOM 3730 O ASP A 268 151.642 171.889 226.079 1.00 55.47 O +ATOM 3731 CB ASP A 268 152.319 169.072 224.824 1.00 75.86 C +ATOM 3732 CG ASP A 268 153.313 169.299 225.943 1.00 93.55 C +ATOM 3733 OD1 ASP A 268 153.178 168.645 226.999 1.00113.23 O +ATOM 3734 OD2 ASP A 268 154.231 170.127 225.767 1.00 94.78 O +ATOM 3735 H ASP A 268 150.372 169.093 223.327 1.00 68.25 H +ATOM 3736 HA ASP A 268 150.669 169.570 225.927 1.00 67.50 H +ATOM 3737 HB2 ASP A 268 152.139 168.120 224.770 1.00 91.03 H +ATOM 3738 HB3 ASP A 268 152.720 169.382 223.997 1.00 91.03 H +ATOM 3739 N THR A 269 151.033 171.977 223.915 1.00 53.47 N +ATOM 3740 CA THR A 269 151.344 173.399 223.767 1.00 50.36 C +ATOM 3741 C THR A 269 150.116 174.299 223.837 1.00 44.55 C +ATOM 3742 O THR A 269 150.222 175.459 224.227 1.00 42.73 O +ATOM 3743 CB THR A 269 152.046 173.680 222.430 1.00 41.68 C +ATOM 3744 OG1 THR A 269 151.173 173.335 221.346 1.00 34.65 O +ATOM 3745 CG2 THR A 269 153.338 172.884 222.325 1.00 52.12 C +ATOM 3746 H THR A 269 150.700 171.617 223.209 1.00 64.16 H +ATOM 3747 HA THR A 269 151.946 173.662 224.481 1.00 60.43 H +ATOM 3748 HB THR A 269 152.266 174.623 222.376 1.00 50.02 H +ATOM 3749 HG1 THR A 269 150.973 172.520 221.386 1.00 41.58 H +ATOM 3750 HG21 THR A 269 153.773 173.068 221.478 1.00 62.54 H +ATOM 3751 HG22 THR A 269 153.937 173.128 223.047 1.00 62.54 H +ATOM 3752 HG23 THR A 269 153.147 171.934 222.381 1.00 62.54 H +ATOM 3753 N GLN A 270 148.962 173.760 223.450 1.00 46.63 N +ATOM 3754 CA GLN A 270 147.724 174.531 223.306 1.00 60.01 C +ATOM 3755 C GLN A 270 147.826 175.529 222.153 1.00 52.67 C +ATOM 3756 O GLN A 270 147.035 176.466 222.066 1.00 51.46 O +ATOM 3757 CB GLN A 270 147.361 175.263 224.606 1.00 59.32 C +ATOM 3758 CG GLN A 270 147.124 174.340 225.782 1.00 64.73 C +ATOM 3759 CD GLN A 270 145.896 173.477 225.592 1.00 71.63 C +ATOM 3760 OE1 GLN A 270 145.997 172.292 225.267 1.00 69.43 O +ATOM 3761 NE2 GLN A 270 144.725 174.068 225.788 1.00 78.38 N +ATOM 3762 H GLN A 270 148.867 172.926 223.261 1.00 55.96 H +ATOM 3763 HA GLN A 270 147.000 173.919 223.101 1.00 72.01 H +ATOM 3764 HB2 GLN A 270 148.088 175.861 224.840 1.00 71.19 H +ATOM 3765 HB3 GLN A 270 146.549 175.773 224.461 1.00 71.19 H +ATOM 3766 HG2 GLN A 270 147.891 173.755 225.887 1.00 77.68 H +ATOM 3767 HG3 GLN A 270 146.998 174.872 226.583 1.00 77.68 H +ATOM 3768 HE21 GLN A 270 144.694 174.898 226.010 1.00 94.05 H +ATOM 3769 HE22 GLN A 270 143.996 173.621 225.692 1.00 94.05 H +ATOM 3770 N ALA A 271 148.796 175.315 221.268 1.00 51.02 N +ATOM 3771 CA ALA A 271 148.944 176.136 220.073 1.00 49.19 C +ATOM 3772 C ALA A 271 148.111 175.558 218.935 1.00 42.69 C +ATOM 3773 O ALA A 271 148.329 174.423 218.515 1.00 47.16 O +ATOM 3774 CB ALA A 271 150.405 176.228 219.669 1.00 41.80 C +ATOM 3775 H ALA A 271 149.386 174.694 221.339 1.00 61.22 H +ATOM 3776 HA ALA A 271 148.623 177.032 220.259 1.00 59.02 H +ATOM 3777 HB1 ALA A 271 150.478 176.778 218.873 1.00 50.15 H +ATOM 3778 HB2 ALA A 271 150.908 176.628 220.395 1.00 50.15 H +ATOM 3779 HB3 ALA A 271 150.739 175.336 219.487 1.00 50.15 H +ATOM 3780 N GLU A 272 147.156 176.341 218.444 1.00 53.35 N +ATOM 3781 CA GLU A 272 146.262 175.894 217.380 1.00 46.63 C +ATOM 3782 C GLU A 272 147.010 175.537 216.102 1.00 48.95 C +ATOM 3783 O GLU A 272 147.928 176.244 215.688 1.00 45.65 O +ATOM 3784 CB GLU A 272 145.222 176.973 217.067 1.00 71.60 C +ATOM 3785 CG GLU A 272 144.004 176.961 217.974 1.00 94.98 C +ATOM 3786 CD GLU A 272 142.935 177.937 217.522 1.00112.95 C +ATOM 3787 OE1 GLU A 272 143.179 178.681 216.549 1.00115.76 O +ATOM 3788 OE2 GLU A 272 141.850 177.957 218.138 1.00120.78 O +ATOM 3789 H GLU A 272 147.004 177.144 218.712 1.00 64.02 H +ATOM 3790 HA GLU A 272 145.789 175.102 217.680 1.00 55.96 H +ATOM 3791 HB2 GLU A 272 145.643 177.843 217.153 1.00 85.92 H +ATOM 3792 HB3 GLU A 272 144.912 176.849 216.157 1.00 85.92 H +ATOM 3793 HG2 GLU A 272 143.618 176.071 217.974 1.00113.97 H +ATOM 3794 HG3 GLU A 272 144.275 177.206 218.872 1.00113.97 H +ATOM 3795 N MET A 273 146.602 174.431 215.487 1.00 42.52 N +ATOM 3796 CA MET A 273 147.074 174.043 214.166 1.00 39.89 C +ATOM 3797 C MET A 273 145.874 173.730 213.285 1.00 40.06 C +ATOM 3798 O MET A 273 144.772 173.523 213.786 1.00 48.71 O +ATOM 3799 CB MET A 273 147.995 172.825 214.242 1.00 36.76 C +ATOM 3800 CG MET A 273 149.313 173.071 214.956 1.00 46.54 C +ATOM 3801 SD MET A 273 150.425 174.165 214.052 1.00 31.53 S +ATOM 3802 CE MET A 273 150.838 173.176 212.618 1.00 37.21 C +ATOM 3803 H MET A 273 146.039 173.876 215.826 1.00 51.02 H +ATOM 3804 HA MET A 273 147.573 174.777 213.777 1.00 47.87 H +ATOM 3805 HB2 MET A 273 147.533 172.116 214.717 1.00 44.11 H +ATOM 3806 HB3 MET A 273 148.200 172.534 213.340 1.00 44.11 H +ATOM 3807 HG2 MET A 273 149.132 173.477 215.818 1.00 55.85 H +ATOM 3808 HG3 MET A 273 149.766 172.223 215.080 1.00 55.85 H +ATOM 3809 HE1 MET A 273 151.444 173.678 212.052 1.00 44.66 H +ATOM 3810 HE2 MET A 273 151.263 172.355 212.913 1.00 44.66 H +ATOM 3811 HE3 MET A 273 150.024 172.970 212.132 1.00 44.66 H +ATOM 3812 N ILE A 274 146.089 173.700 211.975 1.00 42.89 N +ATOM 3813 CA ILE A 274 145.062 173.254 211.045 1.00 37.15 C +ATOM 3814 C ILE A 274 145.257 171.779 210.736 1.00 46.49 C +ATOM 3815 O ILE A 274 146.179 171.400 210.014 1.00 44.76 O +ATOM 3816 CB ILE A 274 145.081 174.053 209.732 1.00 34.52 C +ATOM 3817 CG1 ILE A 274 144.899 175.548 210.012 1.00 40.56 C +ATOM 3818 CG2 ILE A 274 143.995 173.550 208.781 1.00 46.96 C +ATOM 3819 CD1 ILE A 274 143.652 175.890 210.809 1.00 70.90 C +ATOM 3820 H ILE A 274 146.826 173.934 211.598 1.00 51.47 H +ATOM 3821 HA ILE A 274 144.190 173.366 211.455 1.00 44.58 H +ATOM 3822 HB ILE A 274 145.944 173.924 209.307 1.00 41.42 H +ATOM 3823 HG12 ILE A 274 145.665 175.865 210.514 1.00 48.67 H +ATOM 3824 HG13 ILE A 274 144.845 176.018 209.165 1.00 48.67 H +ATOM 3825 HG21 ILE A 274 144.028 174.068 207.962 1.00 56.35 H +ATOM 3826 HG22 ILE A 274 144.156 172.613 208.587 1.00 56.35 H +ATOM 3827 HG23 ILE A 274 143.130 173.656 209.206 1.00 56.35 H +ATOM 3828 HD11 ILE A 274 143.615 176.850 210.940 1.00 85.08 H +ATOM 3829 HD12 ILE A 274 142.871 175.592 210.315 1.00 85.08 H +ATOM 3830 HD13 ILE A 274 143.693 175.440 211.667 1.00 85.08 H +ATOM 3831 N TYR A 275 144.378 170.959 211.299 1.00 52.16 N +ATOM 3832 CA TYR A 275 144.367 169.527 211.038 1.00 55.74 C +ATOM 3833 C TYR A 275 142.941 169.059 210.783 1.00 58.86 C +ATOM 3834 O TYR A 275 142.029 169.439 211.509 1.00 72.73 O +ATOM 3835 CB TYR A 275 144.963 168.755 212.215 1.00 58.12 C +ATOM 3836 CG TYR A 275 146.470 168.803 212.285 1.00 47.86 C +ATOM 3837 CD1 TYR A 275 147.247 168.131 211.352 1.00 51.73 C +ATOM 3838 CD2 TYR A 275 147.115 169.507 213.291 1.00 42.93 C +ATOM 3839 CE1 TYR A 275 148.621 168.166 211.413 1.00 50.02 C +ATOM 3840 CE2 TYR A 275 148.493 169.548 213.359 1.00 47.04 C +ATOM 3841 CZ TYR A 275 149.240 168.875 212.418 1.00 43.74 C +ATOM 3842 OH TYR A 275 150.612 168.911 212.477 1.00 38.27 O +ATOM 3843 H TYR A 275 143.765 171.214 211.847 1.00 62.59 H +ATOM 3844 HA TYR A 275 144.898 169.339 210.248 1.00 66.88 H +ATOM 3845 HB2 TYR A 275 144.617 169.129 213.040 1.00 69.74 H +ATOM 3846 HB3 TYR A 275 144.700 167.824 212.142 1.00 69.74 H +ATOM 3847 HD1 TYR A 275 146.832 167.651 210.672 1.00 62.07 H +ATOM 3848 HD2 TYR A 275 146.612 169.962 213.927 1.00 51.51 H +ATOM 3849 HE1 TYR A 275 149.128 167.713 210.779 1.00 60.02 H +ATOM 3850 HE2 TYR A 275 148.914 170.026 214.036 1.00 56.45 H +ATOM 3851 HH TYR A 275 150.859 169.374 213.133 1.00 45.93 H +ATOM 3852 N PRO A 276 142.736 168.239 209.742 1.00 68.11 N +ATOM 3853 CA PRO A 276 141.390 167.684 209.585 1.00 68.03 C +ATOM 3854 C PRO A 276 141.078 166.704 210.715 1.00 69.38 C +ATOM 3855 O PRO A 276 142.008 166.185 211.328 1.00 69.72 O +ATOM 3856 CB PRO A 276 141.449 166.988 208.224 1.00 73.10 C +ATOM 3857 CG PRO A 276 142.887 166.706 207.997 1.00 75.91 C +ATOM 3858 CD PRO A 276 143.634 167.825 208.650 1.00 68.57 C +ATOM 3859 HA PRO A 276 140.725 168.390 209.567 1.00 81.63 H +ATOM 3860 HB2 PRO A 276 140.938 166.163 208.256 1.00 87.72 H +ATOM 3861 HB3 PRO A 276 141.103 167.580 207.538 1.00 87.72 H +ATOM 3862 HG2 PRO A 276 143.119 165.857 208.405 1.00 91.09 H +ATOM 3863 HG3 PRO A 276 143.067 166.686 207.044 1.00 91.09 H +ATOM 3864 HD2 PRO A 276 144.477 167.506 209.008 1.00 82.28 H +ATOM 3865 HD3 PRO A 276 143.765 168.555 208.025 1.00 82.28 H +ATOM 3866 N PRO A 277 139.787 166.451 210.985 1.00 73.37 N +ATOM 3867 CA PRO A 277 139.353 165.667 212.150 1.00 66.17 C +ATOM 3868 C PRO A 277 139.998 164.283 212.281 1.00 71.01 C +ATOM 3869 O PRO A 277 140.053 163.743 213.387 1.00 60.34 O +ATOM 3870 CB PRO A 277 137.843 165.524 211.925 1.00 64.51 C +ATOM 3871 CG PRO A 277 137.473 166.666 211.059 1.00 62.25 C +ATOM 3872 CD PRO A 277 138.645 166.907 210.173 1.00 65.19 C +ATOM 3873 HA PRO A 277 139.507 166.168 212.966 1.00 79.40 H +ATOM 3874 HB2 PRO A 277 137.656 164.682 211.481 1.00 77.41 H +ATOM 3875 HB3 PRO A 277 137.380 165.574 212.776 1.00 77.41 H +ATOM 3876 HG2 PRO A 277 136.691 166.434 210.533 1.00 74.70 H +ATOM 3877 HG3 PRO A 277 137.295 167.445 211.608 1.00 74.70 H +ATOM 3878 HD2 PRO A 277 138.572 166.377 209.364 1.00 78.23 H +ATOM 3879 HD3 PRO A 277 138.728 167.853 209.973 1.00 78.23 H +ATOM 3880 N GLN A 278 140.481 163.721 211.179 1.00 65.47 N +ATOM 3881 CA GLN A 278 140.983 162.350 211.183 1.00 66.65 C +ATOM 3882 C GLN A 278 142.324 162.233 211.897 1.00 70.17 C +ATOM 3883 O GLN A 278 142.627 161.200 212.497 1.00 73.50 O +ATOM 3884 CB GLN A 278 141.123 161.821 209.754 1.00 67.20 C +ATOM 3885 CG GLN A 278 139.902 162.048 208.876 1.00 71.19 C +ATOM 3886 CD GLN A 278 139.937 163.382 208.155 1.00 70.51 C +ATOM 3887 OE1 GLN A 278 140.957 163.763 207.580 1.00 69.80 O +ATOM 3888 NE2 GLN A 278 138.820 164.100 208.184 1.00 72.39 N +ATOM 3889 H GLN A 278 140.529 164.111 210.414 1.00 78.57 H +ATOM 3890 HA GLN A 278 140.347 161.784 211.649 1.00 79.99 H +ATOM 3891 HB2 GLN A 278 141.876 162.263 209.332 1.00 80.64 H +ATOM 3892 HB3 GLN A 278 141.285 160.865 209.792 1.00 80.64 H +ATOM 3893 HG2 GLN A 278 139.859 161.347 208.207 1.00 85.43 H +ATOM 3894 HG3 GLN A 278 139.106 162.028 209.430 1.00 85.43 H +ATOM 3895 HE21 GLN A 278 138.128 163.801 208.597 1.00 86.87 H +ATOM 3896 HE22 GLN A 278 138.790 164.863 207.790 1.00 86.87 H +ATOM 3897 N VAL A 279 143.126 163.291 211.822 1.00 74.79 N +ATOM 3898 CA VAL A 279 144.473 163.276 212.388 1.00 68.61 C +ATOM 3899 C VAL A 279 144.409 163.054 213.902 1.00 63.89 C +ATOM 3900 O VAL A 279 143.812 163.856 214.619 1.00 62.93 O +ATOM 3901 CB VAL A 279 145.225 164.590 212.092 1.00 68.87 C +ATOM 3902 CG1 VAL A 279 146.666 164.509 212.584 1.00 65.34 C +ATOM 3903 CG2 VAL A 279 145.200 164.895 210.599 1.00 60.26 C +ATOM 3904 H VAL A 279 142.912 164.035 211.447 1.00 89.75 H +ATOM 3905 HA VAL A 279 144.975 162.545 211.995 1.00 82.33 H +ATOM 3906 HB VAL A 279 144.787 165.320 212.557 1.00 82.64 H +ATOM 3907 HG11 VAL A 279 147.115 165.346 212.386 1.00 78.41 H +ATOM 3908 HG12 VAL A 279 146.664 164.353 213.541 1.00 78.41 H +ATOM 3909 HG13 VAL A 279 147.114 163.778 212.130 1.00 78.41 H +ATOM 3910 HG21 VAL A 279 145.678 165.723 210.438 1.00 72.31 H +ATOM 3911 HG22 VAL A 279 145.628 164.167 210.122 1.00 72.31 H +ATOM 3912 HG23 VAL A 279 144.278 164.983 210.311 1.00 72.31 H +ATOM 3913 N PRO A 280 145.019 161.962 214.400 1.00 52.32 N +ATOM 3914 CA PRO A 280 144.961 161.696 215.843 1.00 60.48 C +ATOM 3915 C PRO A 280 145.808 162.670 216.657 1.00 59.10 C +ATOM 3916 O PRO A 280 146.705 163.310 216.110 1.00 61.15 O +ATOM 3917 CB PRO A 280 145.499 160.268 215.958 1.00 53.75 C +ATOM 3918 CG PRO A 280 146.376 160.101 214.783 1.00 51.97 C +ATOM 3919 CD PRO A 280 145.771 160.917 213.682 1.00 53.63 C +ATOM 3920 HA PRO A 280 144.043 161.723 216.156 1.00 72.57 H +ATOM 3921 HB2 PRO A 280 146.004 160.173 216.780 1.00 64.50 H +ATOM 3922 HB3 PRO A 280 144.763 159.637 215.930 1.00 64.50 H +ATOM 3923 HG2 PRO A 280 147.266 160.425 214.995 1.00 62.36 H +ATOM 3924 HG3 PRO A 280 146.407 159.165 214.533 1.00 62.36 H +ATOM 3925 HD2 PRO A 280 146.467 161.316 213.136 1.00 64.36 H +ATOM 3926 HD3 PRO A 280 145.170 160.373 213.150 1.00 64.36 H +ATOM 3927 N GLU A 281 145.521 162.755 217.955 1.00 54.28 N +ATOM 3928 CA GLU A 281 146.128 163.749 218.839 1.00 61.19 C +ATOM 3929 C GLU A 281 147.652 163.774 218.765 1.00 66.69 C +ATOM 3930 O GLU A 281 148.262 164.842 218.687 1.00 65.59 O +ATOM 3931 CB GLU A 281 145.707 163.493 220.292 1.00 62.14 C +ATOM 3932 CG GLU A 281 144.206 163.359 220.518 1.00 78.21 C +ATOM 3933 CD GLU A 281 143.453 164.645 220.251 1.00 87.87 C +ATOM 3934 OE1 GLU A 281 143.606 165.599 221.041 1.00 90.67 O +ATOM 3935 OE2 GLU A 281 142.705 164.702 219.251 1.00 97.64 O +ATOM 3936 H GLU A 281 144.966 162.235 218.356 1.00 65.14 H +ATOM 3937 HA GLU A 281 145.805 164.628 218.587 1.00 73.43 H +ATOM 3938 HB2 GLU A 281 146.123 162.669 220.592 1.00 74.56 H +ATOM 3939 HB3 GLU A 281 146.020 164.231 220.837 1.00 74.56 H +ATOM 3940 HG2 GLU A 281 143.857 162.678 219.921 1.00 93.85 H +ATOM 3941 HG3 GLU A 281 144.047 163.105 221.440 1.00 93.85 H +ATOM 3942 N HIS A 282 148.265 162.594 218.790 1.00 56.90 N +ATOM 3943 CA HIS A 282 149.714 162.494 218.928 1.00 63.66 C +ATOM 3944 C HIS A 282 150.464 162.842 217.643 1.00 52.66 C +ATOM 3945 O HIS A 282 151.678 163.037 217.669 1.00 52.39 O +ATOM 3946 CB HIS A 282 150.100 161.087 219.384 1.00 79.10 C +ATOM 3947 CG HIS A 282 149.876 160.032 218.347 1.00 69.06 C +ATOM 3948 ND1 HIS A 282 148.660 159.408 218.169 1.00 65.08 N +ATOM 3949 CD2 HIS A 282 150.714 159.488 217.434 1.00 61.23 C +ATOM 3950 CE1 HIS A 282 148.759 158.527 217.190 1.00 66.17 C +ATOM 3951 NE2 HIS A 282 149.996 158.556 216.726 1.00 64.40 N +ATOM 3952 H HIS A 282 147.863 161.836 218.729 1.00 68.28 H +ATOM 3953 HA HIS A 282 150.003 163.116 219.614 1.00 76.39 H +ATOM 3954 HB2 HIS A 282 151.043 161.081 219.614 1.00 94.92 H +ATOM 3955 HB3 HIS A 282 149.570 160.854 220.163 1.00 94.92 H +ATOM 3956 HD2 HIS A 282 151.610 159.707 217.308 1.00 73.48 H +ATOM 3957 HE1 HIS A 282 148.075 157.979 216.879 1.00 79.41 H +ATOM 3958 HE2 HIS A 282 150.301 158.070 216.086 1.00 77.28 H +ATOM 3959 N LEU A 283 149.748 162.911 216.525 1.00 49.60 N +ATOM 3960 CA LEU A 283 150.350 163.280 215.246 1.00 49.03 C +ATOM 3961 C LEU A 283 150.089 164.741 214.907 1.00 47.82 C +ATOM 3962 O LEU A 283 150.580 165.249 213.899 1.00 47.61 O +ATOM 3963 CB LEU A 283 149.822 162.387 214.121 1.00 53.78 C +ATOM 3964 CG LEU A 283 150.316 160.937 214.107 1.00 48.30 C +ATOM 3965 CD1 LEU A 283 149.612 160.157 213.012 1.00 53.48 C +ATOM 3966 CD2 LEU A 283 151.829 160.868 213.922 1.00 60.11 C +ATOM 3967 H LEU A 283 148.905 162.747 216.480 1.00 59.52 H +ATOM 3968 HA LEU A 283 151.310 163.153 215.302 1.00 58.84 H +ATOM 3969 HB2 LEU A 283 148.855 162.360 214.184 1.00 64.54 H +ATOM 3970 HB3 LEU A 283 150.076 162.784 213.273 1.00 64.54 H +ATOM 3971 HG LEU A 283 150.099 160.523 214.957 1.00 57.96 H +ATOM 3972 HD11 LEU A 283 149.937 159.243 213.018 1.00 64.18 H +ATOM 3973 HD12 LEU A 283 148.657 160.170 213.179 1.00 64.18 H +ATOM 3974 HD13 LEU A 283 149.805 160.571 212.156 1.00 64.18 H +ATOM 3975 HD21 LEU A 283 152.103 159.938 213.919 1.00 72.13 H +ATOM 3976 HD22 LEU A 283 152.062 161.286 213.078 1.00 72.13 H +ATOM 3977 HD23 LEU A 283 152.258 161.337 214.654 1.00 72.13 H +ATOM 3978 N ARG A 284 149.313 165.415 215.746 1.00 40.17 N +ATOM 3979 CA ARG A 284 149.065 166.837 215.563 1.00 43.96 C +ATOM 3980 C ARG A 284 150.263 167.639 216.057 1.00 40.86 C +ATOM 3981 O ARG A 284 150.268 168.139 217.181 1.00 40.82 O +ATOM 3982 CB ARG A 284 147.791 167.260 216.297 1.00 53.06 C +ATOM 3983 CG ARG A 284 146.524 166.666 215.702 1.00 54.72 C +ATOM 3984 CD ARG A 284 145.309 166.909 216.582 1.00 58.12 C +ATOM 3985 NE ARG A 284 144.128 166.206 216.081 1.00 65.86 N +ATOM 3986 CZ ARG A 284 143.169 166.751 215.336 1.00 73.72 C +ATOM 3987 NH1 ARG A 284 143.220 168.031 214.990 1.00 77.22 N +ATOM 3988 NH2 ARG A 284 142.145 166.010 214.936 1.00 80.74 N +ATOM 3989 H ARG A 284 148.918 165.072 216.429 1.00 48.20 H +ATOM 3990 HA ARG A 284 148.945 167.021 214.618 1.00 52.75 H +ATOM 3991 HB2 ARG A 284 147.851 166.970 217.221 1.00 63.67 H +ATOM 3992 HB3 ARG A 284 147.714 168.226 216.259 1.00 63.67 H +ATOM 3993 HG2 ARG A 284 146.357 167.073 214.837 1.00 65.66 H +ATOM 3994 HG3 ARG A 284 146.638 165.707 215.603 1.00 65.66 H +ATOM 3995 HD2 ARG A 284 145.495 166.589 217.478 1.00 69.75 H +ATOM 3996 HD3 ARG A 284 145.113 167.859 216.599 1.00 69.75 H +ATOM 3997 HE ARG A 284 144.046 165.374 216.284 1.00 79.03 H +ATOM 3998 HH11 ARG A 284 143.881 168.519 215.244 1.00 92.67 H +ATOM 3999 HH12 ARG A 284 142.593 168.371 214.510 1.00 92.67 H +ATOM 4000 HH21 ARG A 284 142.102 165.180 215.157 1.00 96.89 H +ATOM 4001 HH22 ARG A 284 141.522 166.360 214.457 1.00 96.89 H +ATOM 4002 N PHE A 285 151.285 167.742 215.212 1.00 42.60 N +ATOM 4003 CA PHE A 285 152.481 168.507 215.539 1.00 40.07 C +ATOM 4004 C PHE A 285 152.185 170.001 215.499 1.00 37.24 C +ATOM 4005 O PHE A 285 151.469 170.476 214.621 1.00 30.01 O +ATOM 4006 CB PHE A 285 153.622 168.177 214.571 1.00 47.09 C +ATOM 4007 CG PHE A 285 154.171 166.784 214.716 1.00 47.39 C +ATOM 4008 CD1 PHE A 285 154.230 166.166 215.951 1.00 57.51 C +ATOM 4009 CD2 PHE A 285 154.636 166.097 213.610 1.00 61.55 C +ATOM 4010 CE1 PHE A 285 154.738 164.890 216.078 1.00 48.40 C +ATOM 4011 CE2 PHE A 285 155.144 164.820 213.735 1.00 65.94 C +ATOM 4012 CZ PHE A 285 155.195 164.218 214.970 1.00 48.98 C +ATOM 4013 H PHE A 285 151.308 167.373 214.436 1.00 51.12 H +ATOM 4014 HA PHE A 285 152.770 168.279 216.437 1.00 48.08 H +ATOM 4015 HB2 PHE A 285 153.297 168.273 213.662 1.00 56.51 H +ATOM 4016 HB3 PHE A 285 154.351 168.799 214.725 1.00 56.51 H +ATOM 4017 HD1 PHE A 285 153.923 166.615 216.705 1.00 69.02 H +ATOM 4018 HD2 PHE A 285 154.605 166.499 212.772 1.00 73.86 H +ATOM 4019 HE1 PHE A 285 154.771 164.484 216.914 1.00 58.08 H +ATOM 4020 HE2 PHE A 285 155.453 164.366 212.984 1.00 79.13 H +ATOM 4021 HZ PHE A 285 155.537 163.358 215.055 1.00 58.77 H +ATOM 4022 N ALA A 286 152.752 170.729 216.454 1.00 33.25 N +ATOM 4023 CA ALA A 286 152.521 172.161 216.577 1.00 34.37 C +ATOM 4024 C ALA A 286 153.796 172.946 216.292 1.00 32.80 C +ATOM 4025 O ALA A 286 154.830 172.717 216.917 1.00 29.09 O +ATOM 4026 CB ALA A 286 151.998 172.488 217.962 1.00 33.45 C +ATOM 4027 H ALA A 286 153.282 170.411 217.052 1.00 39.90 H +ATOM 4028 HA ALA A 286 151.850 172.431 215.930 1.00 41.24 H +ATOM 4029 HB1 ALA A 286 151.851 173.445 218.025 1.00 40.14 H +ATOM 4030 HB2 ALA A 286 151.164 172.014 218.104 1.00 40.14 H +ATOM 4031 HB3 ALA A 286 152.654 172.210 218.620 1.00 40.14 H +ATOM 4032 N VAL A 287 153.713 173.866 215.336 1.00 31.19 N +ATOM 4033 CA VAL A 287 154.835 174.733 214.991 1.00 28.26 C +ATOM 4034 C VAL A 287 154.344 176.159 214.769 1.00 35.58 C +ATOM 4035 O VAL A 287 153.147 176.428 214.860 1.00 32.68 O +ATOM 4036 CB VAL A 287 155.578 174.234 213.732 1.00 27.91 C +ATOM 4037 CG1 VAL A 287 156.156 172.850 213.979 1.00 26.13 C +ATOM 4038 CG2 VAL A 287 154.654 174.226 212.522 1.00 28.07 C +ATOM 4039 H VAL A 287 153.007 174.010 214.866 1.00 37.43 H +ATOM 4040 HA VAL A 287 155.466 174.743 215.728 1.00 33.91 H +ATOM 4041 HB VAL A 287 156.314 174.836 213.542 1.00 33.49 H +ATOM 4042 HG11 VAL A 287 156.617 172.554 213.179 1.00 31.35 H +ATOM 4043 HG12 VAL A 287 156.777 172.895 214.722 1.00 31.35 H +ATOM 4044 HG13 VAL A 287 155.432 172.239 214.189 1.00 31.35 H +ATOM 4045 HG21 VAL A 287 155.148 173.909 211.750 1.00 33.68 H +ATOM 4046 HG22 VAL A 287 153.905 173.637 212.700 1.00 33.68 H +ATOM 4047 HG23 VAL A 287 154.334 175.129 212.363 1.00 33.68 H +ATOM 4048 N GLY A 288 155.275 177.063 214.481 1.00 34.49 N +ATOM 4049 CA GLY A 288 154.967 178.476 214.352 1.00 29.63 C +ATOM 4050 C GLY A 288 153.849 178.777 213.371 1.00 24.36 C +ATOM 4051 O GLY A 288 152.935 179.536 213.683 1.00 29.01 O +ATOM 4052 H GLY A 288 156.105 176.876 214.354 1.00 41.39 H +ATOM 4053 HA2 GLY A 288 154.709 178.826 215.219 1.00 35.56 H +ATOM 4054 HA3 GLY A 288 155.761 178.949 214.059 1.00 35.56 H +ATOM 4055 N GLN A 289 153.924 178.175 212.189 1.00 31.23 N +ATOM 4056 CA GLN A 289 152.936 178.404 211.140 1.00 42.52 C +ATOM 4057 C GLN A 289 151.760 177.433 211.253 1.00 44.79 C +ATOM 4058 O GLN A 289 151.933 176.216 211.174 1.00 35.33 O +ATOM 4059 CB GLN A 289 153.593 178.279 209.766 1.00 43.36 C +ATOM 4060 CG GLN A 289 153.469 179.526 208.904 1.00 47.29 C +ATOM 4061 CD GLN A 289 152.087 179.688 208.302 1.00 48.75 C +ATOM 4062 OE1 GLN A 289 151.098 179.195 208.846 1.00 40.08 O +ATOM 4063 NE2 GLN A 289 152.013 180.379 207.168 1.00 47.97 N +ATOM 4064 H GLN A 289 154.544 177.622 211.967 1.00 37.48 H +ATOM 4065 HA GLN A 289 152.589 179.306 211.226 1.00 51.03 H +ATOM 4066 HB2 GLN A 289 154.537 178.096 209.887 1.00 52.03 H +ATOM 4067 HB3 GLN A 289 153.175 177.546 209.287 1.00 52.03 H +ATOM 4068 HG2 GLN A 289 153.651 180.307 209.449 1.00 56.74 H +ATOM 4069 HG3 GLN A 289 154.108 179.472 208.176 1.00 56.74 H +ATOM 4070 HE21 GLN A 289 152.726 180.706 206.816 1.00 57.56 H +ATOM 4071 HE22 GLN A 289 151.251 180.499 206.786 1.00 57.56 H +ATOM 4072 N GLU A 290 150.566 177.993 211.424 1.00 51.53 N +ATOM 4073 CA GLU A 290 149.343 177.213 211.626 1.00 46.57 C +ATOM 4074 C GLU A 290 149.095 176.140 210.564 1.00 46.74 C +ATOM 4075 O GLU A 290 148.443 175.134 210.840 1.00 45.80 O +ATOM 4076 CB GLU A 290 148.129 178.151 211.670 1.00 43.84 C +ATOM 4077 CG GLU A 290 147.917 178.863 213.005 1.00 58.63 C +ATOM 4078 CD GLU A 290 148.664 180.184 213.119 1.00 68.15 C +ATOM 4079 OE1 GLU A 290 149.511 180.482 212.249 1.00 57.63 O +ATOM 4080 OE2 GLU A 290 148.394 180.930 214.085 1.00 53.89 O +ATOM 4081 H GLU A 290 150.433 178.842 211.428 1.00 61.83 H +ATOM 4082 HA GLU A 290 149.400 176.766 212.485 1.00 55.88 H +ATOM 4083 HB2 GLU A 290 148.240 178.833 210.989 1.00 52.61 H +ATOM 4084 HB3 GLU A 290 147.331 177.632 211.485 1.00 52.61 H +ATOM 4085 HG2 GLU A 290 146.971 179.046 213.116 1.00 70.35 H +ATOM 4086 HG3 GLU A 290 148.227 178.285 213.721 1.00 70.35 H +ATOM 4087 N VAL A 291 149.619 176.348 209.358 1.00 42.88 N +ATOM 4088 CA VAL A 291 149.248 175.522 208.209 1.00 40.58 C +ATOM 4089 C VAL A 291 150.280 174.462 207.824 1.00 40.46 C +ATOM 4090 O VAL A 291 150.089 173.740 206.846 1.00 40.74 O +ATOM 4091 CB VAL A 291 148.990 176.399 206.963 1.00 44.33 C +ATOM 4092 CG1 VAL A 291 147.987 177.496 207.284 1.00 48.20 C +ATOM 4093 CG2 VAL A 291 150.291 177.002 206.440 1.00 50.87 C +ATOM 4094 H VAL A 291 150.193 176.962 209.178 1.00 51.46 H +ATOM 4095 HA VAL A 291 148.421 175.060 208.418 1.00 48.70 H +ATOM 4096 HB VAL A 291 148.613 175.846 206.261 1.00 53.20 H +ATOM 4097 HG11 VAL A 291 147.841 178.033 206.490 1.00 57.84 H +ATOM 4098 HG12 VAL A 291 147.153 177.088 207.567 1.00 57.84 H +ATOM 4099 HG13 VAL A 291 148.343 178.050 207.997 1.00 57.84 H +ATOM 4100 HG21 VAL A 291 150.096 177.545 205.660 1.00 61.04 H +ATOM 4101 HG22 VAL A 291 150.687 177.551 207.135 1.00 61.04 H +ATOM 4102 HG23 VAL A 291 150.897 176.284 206.200 1.00 61.04 H +ATOM 4103 N PHE A 292 151.368 174.360 208.578 1.00 46.25 N +ATOM 4104 CA PHE A 292 152.480 173.500 208.177 1.00 54.34 C +ATOM 4105 C PHE A 292 152.220 172.013 208.409 1.00 53.44 C +ATOM 4106 O PHE A 292 153.067 171.176 208.095 1.00 47.62 O +ATOM 4107 CB PHE A 292 153.760 173.924 208.903 1.00 58.73 C +ATOM 4108 CG PHE A 292 154.453 175.111 208.280 1.00 51.87 C +ATOM 4109 CD1 PHE A 292 153.873 175.816 207.235 1.00 39.99 C +ATOM 4110 CD2 PHE A 292 155.697 175.514 208.734 1.00 45.97 C +ATOM 4111 CE1 PHE A 292 154.515 176.895 206.666 1.00 40.79 C +ATOM 4112 CE2 PHE A 292 156.342 176.594 208.168 1.00 37.24 C +ATOM 4113 CZ PHE A 292 155.752 177.284 207.133 1.00 39.39 C +ATOM 4114 H PHE A 292 151.489 174.774 209.321 1.00 55.50 H +ATOM 4115 HA PHE A 292 152.632 173.621 207.227 1.00 65.21 H +ATOM 4116 HB2 PHE A 292 153.537 174.157 209.818 1.00 70.47 H +ATOM 4117 HB3 PHE A 292 154.383 173.180 208.896 1.00 70.47 H +ATOM 4118 HD1 PHE A 292 153.039 175.557 206.915 1.00 47.98 H +ATOM 4119 HD2 PHE A 292 156.102 175.052 209.432 1.00 55.16 H +ATOM 4120 HE1 PHE A 292 154.114 177.360 205.967 1.00 48.95 H +ATOM 4121 HE2 PHE A 292 157.177 176.855 208.484 1.00 44.69 H +ATOM 4122 HZ PHE A 292 156.186 178.013 206.751 1.00 47.27 H +ATOM 4123 N GLY A 293 151.045 171.680 208.931 1.00 50.87 N +ATOM 4124 CA GLY A 293 150.628 170.293 209.002 1.00 55.43 C +ATOM 4125 C GLY A 293 150.191 169.781 207.638 1.00 57.76 C +ATOM 4126 O GLY A 293 150.082 168.574 207.431 1.00 54.14 O +ATOM 4127 H GLY A 293 150.475 172.239 209.249 1.00 61.05 H +ATOM 4128 HA2 GLY A 293 151.364 169.746 209.318 1.00 66.52 H +ATOM 4129 HA3 GLY A 293 149.886 170.206 209.620 1.00 66.52 H +ATOM 4130 N LEU A 294 149.946 170.706 206.711 1.00 65.96 N +ATOM 4131 CA LEU A 294 149.464 170.393 205.366 1.00 55.83 C +ATOM 4132 C LEU A 294 150.233 169.263 204.691 1.00 56.62 C +ATOM 4133 O LEU A 294 149.622 168.319 204.193 1.00 52.95 O +ATOM 4134 CB LEU A 294 149.526 171.645 204.487 1.00 64.90 C +ATOM 4135 CG LEU A 294 149.059 171.524 203.031 1.00 74.33 C +ATOM 4136 CD1 LEU A 294 147.562 171.267 202.938 1.00 56.35 C +ATOM 4137 CD2 LEU A 294 149.437 172.775 202.252 1.00 60.68 C +ATOM 4138 H LEU A 294 150.056 171.549 206.843 1.00 79.15 H +ATOM 4139 HA LEU A 294 148.535 170.121 205.425 1.00 67.00 H +ATOM 4140 HB2 LEU A 294 148.979 172.329 204.903 1.00 77.88 H +ATOM 4141 HB3 LEU A 294 150.448 171.948 204.464 1.00 77.88 H +ATOM 4142 HG LEU A 294 149.513 170.772 202.620 1.00 89.20 H +ATOM 4143 HD11 LEU A 294 147.311 171.198 202.003 1.00 67.62 H +ATOM 4144 HD12 LEU A 294 147.355 170.439 203.399 1.00 67.62 H +ATOM 4145 HD13 LEU A 294 147.089 172.005 203.354 1.00 67.62 H +ATOM 4146 HD21 LEU A 294 149.134 172.679 201.335 1.00 72.81 H +ATOM 4147 HD22 LEU A 294 149.011 173.543 202.663 1.00 72.81 H +ATOM 4148 HD23 LEU A 294 150.401 172.880 202.272 1.00 72.81 H +ATOM 4149 N VAL A 295 151.560 169.351 204.676 1.00 56.13 N +ATOM 4150 CA VAL A 295 152.372 168.308 204.052 1.00 60.18 C +ATOM 4151 C VAL A 295 153.622 167.977 204.866 1.00 42.46 C +ATOM 4152 O VAL A 295 154.223 168.862 205.468 1.00 45.03 O +ATOM 4153 CB VAL A 295 152.806 168.703 202.629 1.00 54.11 C +ATOM 4154 CG1 VAL A 295 151.622 168.658 201.689 1.00 60.18 C +ATOM 4155 CG2 VAL A 295 153.445 170.080 202.623 1.00 54.65 C +ATOM 4156 H VAL A 295 152.013 169.999 205.016 1.00 67.36 H +ATOM 4157 HA VAL A 295 151.841 167.499 203.984 1.00 72.22 H +ATOM 4158 HB VAL A 295 153.465 168.065 202.312 1.00 64.93 H +ATOM 4159 HG11 VAL A 295 151.916 168.909 200.800 1.00 72.21 H +ATOM 4160 HG12 VAL A 295 151.263 167.756 201.677 1.00 72.21 H +ATOM 4161 HG13 VAL A 295 150.947 169.279 202.003 1.00 72.21 H +ATOM 4162 HG21 VAL A 295 153.708 170.302 201.716 1.00 65.58 H +ATOM 4163 HG22 VAL A 295 152.801 170.728 202.949 1.00 65.58 H +ATOM 4164 HG23 VAL A 295 154.225 170.069 203.200 1.00 65.58 H +ATOM 4165 N PRO A 296 154.025 166.693 204.881 1.00 47.35 N +ATOM 4166 CA PRO A 296 155.212 166.250 205.628 1.00 50.42 C +ATOM 4167 C PRO A 296 156.497 166.954 205.202 1.00 42.31 C +ATOM 4168 O PRO A 296 157.444 167.028 205.986 1.00 34.82 O +ATOM 4169 CB PRO A 296 155.288 164.755 205.302 1.00 62.98 C +ATOM 4170 CG PRO A 296 153.917 164.382 204.913 1.00 49.05 C +ATOM 4171 CD PRO A 296 153.352 165.560 204.222 1.00 51.69 C +ATOM 4172 HA PRO A 296 155.077 166.368 206.581 1.00 60.51 H +ATOM 4173 HB2 PRO A 296 155.905 164.610 204.568 1.00 75.58 H +ATOM 4174 HB3 PRO A 296 155.568 164.262 206.089 1.00 75.58 H +ATOM 4175 HG2 PRO A 296 153.946 163.619 204.315 1.00 58.86 H +ATOM 4176 HG3 PRO A 296 153.400 164.174 205.707 1.00 58.86 H +ATOM 4177 HD2 PRO A 296 153.573 165.537 203.278 1.00 62.03 H +ATOM 4178 HD3 PRO A 296 152.393 165.607 204.362 1.00 62.03 H +ATOM 4179 N GLY A 297 156.529 167.451 203.969 1.00 42.46 N +ATOM 4180 CA GLY A 297 157.680 168.176 203.465 1.00 44.40 C +ATOM 4181 C GLY A 297 157.897 169.474 204.217 1.00 39.81 C +ATOM 4182 O GLY A 297 159.032 169.866 204.487 1.00 34.72 O +ATOM 4183 H GLY A 297 155.886 167.379 203.402 1.00 50.95 H +ATOM 4184 HA2 GLY A 297 158.476 167.629 203.557 1.00 53.28 H +ATOM 4185 HA3 GLY A 297 157.551 168.381 202.526 1.00 53.28 H +ATOM 4186 N LEU A 298 156.803 170.147 204.555 1.00 45.19 N +ATOM 4187 CA LEU A 298 156.868 171.363 205.354 1.00 42.66 C +ATOM 4188 C LEU A 298 157.307 171.044 206.770 1.00 38.13 C +ATOM 4189 O LEU A 298 158.178 171.712 207.329 1.00 29.89 O +ATOM 4190 CB LEU A 298 155.514 172.069 205.382 1.00 34.12 C +ATOM 4191 CG LEU A 298 155.085 172.754 204.087 1.00 43.44 C +ATOM 4192 CD1 LEU A 298 153.645 173.211 204.195 1.00 53.24 C +ATOM 4193 CD2 LEU A 298 155.999 173.926 203.785 1.00 49.16 C +ATOM 4194 H LEU A 298 156.005 169.918 204.332 1.00 54.23 H +ATOM 4195 HA LEU A 298 157.519 171.968 204.963 1.00 51.20 H +ATOM 4196 HB2 LEU A 298 154.834 171.414 205.601 1.00 40.94 H +ATOM 4197 HB3 LEU A 298 155.540 172.750 206.073 1.00 40.94 H +ATOM 4198 HG LEU A 298 155.149 172.121 203.354 1.00 52.13 H +ATOM 4199 HD11 LEU A 298 153.388 173.643 203.366 1.00 63.89 H +ATOM 4200 HD12 LEU A 298 153.080 172.439 204.355 1.00 63.89 H +ATOM 4201 HD13 LEU A 298 153.567 173.837 204.932 1.00 63.89 H +ATOM 4202 HD21 LEU A 298 155.711 174.346 202.960 1.00 58.99 H +ATOM 4203 HD22 LEU A 298 155.949 174.561 204.517 1.00 58.99 H +ATOM 4204 HD23 LEU A 298 156.908 173.600 203.691 1.00 58.99 H +ATOM 4205 N MET A 299 156.690 170.015 207.340 1.00 34.86 N +ATOM 4206 CA MET A 299 156.956 169.614 208.711 1.00 36.20 C +ATOM 4207 C MET A 299 158.388 169.106 208.847 1.00 32.42 C +ATOM 4208 O MET A 299 158.971 169.160 209.928 1.00 31.40 O +ATOM 4209 CB MET A 299 155.951 168.544 209.152 1.00 35.84 C +ATOM 4210 CG MET A 299 155.941 168.246 210.645 1.00 48.41 C +ATOM 4211 SD MET A 299 155.616 169.671 211.707 1.00 36.88 S +ATOM 4212 CE MET A 299 154.061 170.265 211.059 1.00 33.77 C +ATOM 4213 H MET A 299 156.103 169.527 206.944 1.00 41.83 H +ATOM 4214 HA MET A 299 156.842 170.384 209.290 1.00 43.44 H +ATOM 4215 HB2 MET A 299 155.060 168.839 208.907 1.00 43.01 H +ATOM 4216 HB3 MET A 299 156.159 167.717 208.690 1.00 43.01 H +ATOM 4217 HG2 MET A 299 155.253 167.586 210.823 1.00 58.09 H +ATOM 4218 HG3 MET A 299 156.807 167.887 210.894 1.00 58.09 H +ATOM 4219 HE1 MET A 299 154.177 170.500 210.125 1.00 40.52 H +ATOM 4220 HE2 MET A 299 153.396 169.563 211.144 1.00 40.52 H +ATOM 4221 HE3 MET A 299 153.786 171.045 211.565 1.00 40.52 H +ATOM 4222 N MET A 300 158.951 168.615 207.746 1.00 35.13 N +ATOM 4223 CA MET A 300 160.352 168.207 207.722 1.00 37.25 C +ATOM 4224 C MET A 300 161.252 169.397 208.024 1.00 31.78 C +ATOM 4225 O MET A 300 162.116 169.326 208.898 1.00 30.80 O +ATOM 4226 CB MET A 300 160.728 167.607 206.365 1.00 38.59 C +ATOM 4227 CG MET A 300 162.186 167.144 206.268 1.00 38.19 C +ATOM 4228 SD MET A 300 162.758 166.926 204.571 1.00 38.70 S +ATOM 4229 CE MET A 300 162.833 168.627 204.014 1.00 35.05 C +ATOM 4230 H MET A 300 158.541 168.508 206.998 1.00 42.16 H +ATOM 4231 HA MET A 300 160.493 167.527 208.399 1.00 44.70 H +ATOM 4232 HB2 MET A 300 160.162 166.837 206.197 1.00 46.30 H +ATOM 4233 HB3 MET A 300 160.584 168.276 205.677 1.00 46.30 H +ATOM 4234 HG2 MET A 300 162.754 167.807 206.690 1.00 45.83 H +ATOM 4235 HG3 MET A 300 162.275 166.293 206.724 1.00 45.83 H +ATOM 4236 HE1 MET A 300 163.135 168.644 203.092 1.00 42.06 H +ATOM 4237 HE2 MET A 300 161.948 169.019 204.080 1.00 42.06 H +ATOM 4238 HE3 MET A 300 163.455 169.116 204.576 1.00 42.06 H +ATOM 4239 N TYR A 301 161.049 170.489 207.291 1.00 28.90 N +ATOM 4240 CA TYR A 301 161.842 171.698 207.488 1.00 29.55 C +ATOM 4241 C TYR A 301 161.546 172.352 208.830 1.00 23.71 C +ATOM 4242 O TYR A 301 162.438 172.922 209.455 1.00 25.85 O +ATOM 4243 CB TYR A 301 161.596 172.695 206.356 1.00 32.32 C +ATOM 4244 CG TYR A 301 162.479 172.469 205.155 1.00 32.02 C +ATOM 4245 CD1 TYR A 301 163.853 172.641 205.245 1.00 24.51 C +ATOM 4246 CD2 TYR A 301 161.943 172.085 203.934 1.00 31.28 C +ATOM 4247 CE1 TYR A 301 164.668 172.434 204.155 1.00 38.28 C +ATOM 4248 CE2 TYR A 301 162.754 171.878 202.835 1.00 30.20 C +ATOM 4249 CZ TYR A 301 164.115 172.054 202.951 1.00 37.53 C +ATOM 4250 OH TYR A 301 164.929 171.849 201.864 1.00 38.94 O +ATOM 4251 H TYR A 301 160.456 170.555 206.671 1.00 34.68 H +ATOM 4252 HA TYR A 301 162.782 171.460 207.475 1.00 35.46 H +ATOM 4253 HB2 TYR A 301 160.673 172.619 206.066 1.00 38.78 H +ATOM 4254 HB3 TYR A 301 161.765 173.592 206.686 1.00 38.78 H +ATOM 4255 HD1 TYR A 301 164.230 172.897 206.055 1.00 29.41 H +ATOM 4256 HD2 TYR A 301 161.024 171.966 203.854 1.00 37.53 H +ATOM 4257 HE1 TYR A 301 165.588 172.553 204.230 1.00 45.93 H +ATOM 4258 HE2 TYR A 301 162.383 171.620 202.021 1.00 36.24 H +ATOM 4259 HH TYR A 301 164.469 171.623 201.199 1.00 46.73 H +ATOM 4260 N ALA A 302 160.294 172.272 209.269 1.00 27.94 N +ATOM 4261 CA ALA A 302 159.911 172.773 210.582 1.00 27.46 C +ATOM 4262 C ALA A 302 160.695 172.052 211.674 1.00 26.79 C +ATOM 4263 O ALA A 302 161.141 172.666 212.641 1.00 29.83 O +ATOM 4264 CB ALA A 302 158.418 172.605 210.803 1.00 32.96 C +ATOM 4265 H ALA A 302 159.645 171.929 208.821 1.00 33.53 H +ATOM 4266 HA ALA A 302 160.119 173.719 210.635 1.00 32.96 H +ATOM 4267 HB1 ALA A 302 158.189 172.945 211.682 1.00 39.55 H +ATOM 4268 HB2 ALA A 302 157.940 173.101 210.120 1.00 39.55 H +ATOM 4269 HB3 ALA A 302 158.195 171.662 210.744 1.00 39.55 H +ATOM 4270 N THR A 303 160.859 170.744 211.503 1.00 26.97 N +ATOM 4271 CA THR A 303 161.598 169.921 212.453 1.00 29.52 C +ATOM 4272 C THR A 303 163.086 170.257 212.439 1.00 26.28 C +ATOM 4273 O THR A 303 163.715 170.361 213.489 1.00 26.52 O +ATOM 4274 CB THR A 303 161.420 168.419 212.146 1.00 34.73 C +ATOM 4275 OG1 THR A 303 160.036 168.068 212.251 1.00 31.99 O +ATOM 4276 CG2 THR A 303 162.229 167.557 213.112 1.00 35.88 C +ATOM 4277 H THR A 303 160.547 170.304 210.834 1.00 32.36 H +ATOM 4278 HA THR A 303 161.260 170.088 213.346 1.00 35.42 H +ATOM 4279 HB THR A 303 161.729 168.237 211.244 1.00 41.67 H +ATOM 4280 HG1 THR A 303 159.583 168.516 211.703 1.00 38.39 H +ATOM 4281 HG21 THR A 303 162.104 166.618 212.903 1.00 43.06 H +ATOM 4282 HG22 THR A 303 163.172 167.774 213.039 1.00 43.06 H +ATOM 4283 HG23 THR A 303 161.938 167.719 214.023 1.00 43.06 H +ATOM 4284 N ILE A 304 163.644 170.416 211.246 1.00 27.43 N +ATOM 4285 CA ILE A 304 165.063 170.712 211.097 1.00 23.97 C +ATOM 4286 C ILE A 304 165.413 172.056 211.729 1.00 27.18 C +ATOM 4287 O ILE A 304 166.431 172.183 212.408 1.00 26.46 O +ATOM 4288 CB ILE A 304 165.474 170.699 209.606 1.00 29.36 C +ATOM 4289 CG1 ILE A 304 165.425 169.265 209.070 1.00 26.43 C +ATOM 4290 CG2 ILE A 304 166.878 171.285 209.410 1.00 29.43 C +ATOM 4291 CD1 ILE A 304 165.532 169.154 207.565 1.00 24.82 C +ATOM 4292 H ILE A 304 163.219 170.358 210.500 1.00 32.92 H +ATOM 4293 HA ILE A 304 165.575 170.026 211.553 1.00 28.76 H +ATOM 4294 HB ILE A 304 164.842 171.238 209.106 1.00 35.23 H +ATOM 4295 HG12 ILE A 304 166.161 168.764 209.455 1.00 31.71 H +ATOM 4296 HG13 ILE A 304 164.583 168.863 209.335 1.00 31.71 H +ATOM 4297 HG21 ILE A 304 167.101 171.261 208.467 1.00 35.31 H +ATOM 4298 HG22 ILE A 304 166.884 172.201 209.729 1.00 35.31 H +ATOM 4299 HG23 ILE A 304 167.514 170.754 209.915 1.00 35.31 H +ATOM 4300 HD11 ILE A 304 165.493 168.218 207.314 1.00 29.78 H +ATOM 4301 HD12 ILE A 304 164.795 169.637 207.160 1.00 29.78 H +ATOM 4302 HD13 ILE A 304 166.376 169.538 207.280 1.00 29.78 H +ATOM 4303 N TRP A 305 164.568 173.058 211.513 1.00 30.77 N +ATOM 4304 CA TRP A 305 164.821 174.391 212.055 1.00 25.43 C +ATOM 4305 C TRP A 305 164.610 174.439 213.565 1.00 21.92 C +ATOM 4306 O TRP A 305 165.304 175.176 214.263 1.00 27.65 O +ATOM 4307 CB TRP A 305 163.932 175.429 211.373 1.00 28.72 C +ATOM 4308 CG TRP A 305 164.435 175.854 210.032 1.00 20.61 C +ATOM 4309 CD1 TRP A 305 163.873 175.581 208.823 1.00 26.92 C +ATOM 4310 CD2 TRP A 305 165.610 176.626 209.762 1.00 19.74 C +ATOM 4311 NE1 TRP A 305 164.622 176.136 207.815 1.00 23.13 N +ATOM 4312 CE2 TRP A 305 165.696 176.784 208.367 1.00 22.81 C +ATOM 4313 CE3 TRP A 305 166.599 177.199 210.566 1.00 25.63 C +ATOM 4314 CZ2 TRP A 305 166.728 177.492 207.760 1.00 26.35 C +ATOM 4315 CZ3 TRP A 305 167.622 177.901 209.963 1.00 19.97 C +ATOM 4316 CH2 TRP A 305 167.678 178.041 208.574 1.00 23.84 C +ATOM 4317 H TRP A 305 163.842 172.994 211.056 1.00 36.92 H +ATOM 4318 HA TRP A 305 165.744 174.629 211.877 1.00 30.51 H +ATOM 4319 HB2 TRP A 305 163.046 175.053 211.253 1.00 34.46 H +ATOM 4320 HB3 TRP A 305 163.882 176.218 211.936 1.00 34.46 H +ATOM 4321 HD1 TRP A 305 163.093 175.090 208.697 1.00 32.30 H +ATOM 4322 HE1 TRP A 305 164.446 176.086 206.975 1.00 27.76 H +ATOM 4323 HE3 TRP A 305 166.566 177.111 211.492 1.00 30.76 H +ATOM 4324 HZ2 TRP A 305 166.770 177.587 206.836 1.00 31.62 H +ATOM 4325 HZ3 TRP A 305 168.284 178.287 210.489 1.00 23.96 H +ATOM 4326 HH2 TRP A 305 168.380 178.519 208.194 1.00 28.61 H +ATOM 4327 N LEU A 306 163.655 173.662 214.066 1.00 25.12 N +ATOM 4328 CA LEU A 306 163.446 173.555 215.505 1.00 26.82 C +ATOM 4329 C LEU A 306 164.679 172.954 216.163 1.00 27.69 C +ATOM 4330 O LEU A 306 165.112 173.399 217.225 1.00 24.46 O +ATOM 4331 CB LEU A 306 162.217 172.703 215.820 1.00 35.78 C +ATOM 4332 CG LEU A 306 161.913 172.512 217.309 1.00 34.12 C +ATOM 4333 CD1 LEU A 306 161.408 173.800 217.919 1.00 35.83 C +ATOM 4334 CD2 LEU A 306 160.911 171.397 217.522 1.00 39.54 C +ATOM 4335 H LEU A 306 163.116 173.187 213.594 1.00 30.15 H +ATOM 4336 HA LEU A 306 163.305 174.441 215.875 1.00 32.18 H +ATOM 4337 HB2 LEU A 306 161.441 173.123 215.416 1.00 42.94 H +ATOM 4338 HB3 LEU A 306 162.346 171.823 215.434 1.00 42.94 H +ATOM 4339 HG LEU A 306 162.733 172.267 217.767 1.00 40.94 H +ATOM 4340 HD11 LEU A 306 161.224 173.653 218.860 1.00 42.99 H +ATOM 4341 HD12 LEU A 306 162.087 174.485 217.818 1.00 42.99 H +ATOM 4342 HD13 LEU A 306 160.596 174.069 217.461 1.00 42.99 H +ATOM 4343 HD21 LEU A 306 160.741 171.302 218.472 1.00 47.45 H +ATOM 4344 HD22 LEU A 306 160.088 171.621 217.059 1.00 47.45 H +ATOM 4345 HD23 LEU A 306 161.277 170.572 217.166 1.00 47.45 H +ATOM 4346 N ARG A 307 165.235 171.930 215.525 1.00 29.70 N +ATOM 4347 CA ARG A 307 166.464 171.314 215.996 1.00 32.15 C +ATOM 4348 C ARG A 307 167.602 172.323 215.983 1.00 25.40 C +ATOM 4349 O ARG A 307 168.379 172.407 216.930 1.00 26.13 O +ATOM 4350 CB ARG A 307 166.824 170.103 215.137 1.00 29.15 C +ATOM 4351 CG ARG A 307 165.924 168.900 215.353 1.00 30.61 C +ATOM 4352 CD ARG A 307 166.252 167.800 214.370 1.00 31.38 C +ATOM 4353 NE ARG A 307 165.309 166.691 214.442 1.00 31.26 N +ATOM 4354 CZ ARG A 307 165.442 165.554 213.769 1.00 40.69 C +ATOM 4355 NH1 ARG A 307 166.485 165.368 212.970 1.00 33.25 N +ATOM 4356 NH2 ARG A 307 164.532 164.598 213.895 1.00 35.85 N +ATOM 4357 H ARG A 307 164.916 171.573 214.811 1.00 35.64 H +ATOM 4358 HA ARG A 307 166.339 171.011 216.909 1.00 38.58 H +ATOM 4359 HB2 ARG A 307 166.761 170.355 214.202 1.00 34.98 H +ATOM 4360 HB3 ARG A 307 167.733 169.833 215.343 1.00 34.98 H +ATOM 4361 HG2 ARG A 307 166.055 168.557 216.251 1.00 36.73 H +ATOM 4362 HG3 ARG A 307 165.000 169.162 215.223 1.00 36.73 H +ATOM 4363 HD2 ARG A 307 166.224 168.160 213.470 1.00 37.66 H +ATOM 4364 HD3 ARG A 307 167.138 167.455 214.564 1.00 37.66 H +ATOM 4365 HE ARG A 307 164.602 166.795 214.921 1.00 37.51 H +ATOM 4366 HH11 ARG A 307 167.077 165.986 212.886 1.00 39.90 H +ATOM 4367 HH12 ARG A 307 166.569 164.630 212.536 1.00 39.90 H +ATOM 4368 HH21 ARG A 307 163.854 164.715 214.413 1.00 43.02 H +ATOM 4369 HH22 ARG A 307 164.618 163.861 213.460 1.00 43.02 H +ATOM 4370 N GLU A 308 167.693 173.094 214.905 1.00 25.65 N +ATOM 4371 CA GLU A 308 168.739 174.098 214.789 1.00 29.08 C +ATOM 4372 C GLU A 308 168.624 175.132 215.902 1.00 29.01 C +ATOM 4373 O GLU A 308 169.632 175.551 216.467 1.00 29.00 O +ATOM 4374 CB GLU A 308 168.686 174.782 213.420 1.00 31.40 C +ATOM 4375 CG GLU A 308 169.727 175.883 213.224 1.00 31.89 C +ATOM 4376 CD GLU A 308 171.150 175.394 213.394 1.00 30.37 C +ATOM 4377 OE1 GLU A 308 171.380 174.169 213.320 1.00 33.51 O +ATOM 4378 OE2 GLU A 308 172.043 176.239 213.600 1.00 27.55 O +ATOM 4379 H GLU A 308 167.162 173.055 214.230 1.00 30.78 H +ATOM 4380 HA GLU A 308 169.603 173.664 214.872 1.00 34.90 H +ATOM 4381 HB2 GLU A 308 168.832 174.113 212.733 1.00 37.69 H +ATOM 4382 HB3 GLU A 308 167.810 175.182 213.307 1.00 37.69 H +ATOM 4383 HG2 GLU A 308 169.640 176.242 212.327 1.00 38.26 H +ATOM 4384 HG3 GLU A 308 169.572 176.583 213.877 1.00 38.26 H +ATOM 4385 N HIS A 309 167.399 175.533 216.230 1.00 26.90 N +ATOM 4386 CA HIS A 309 167.199 176.508 217.292 1.00 29.65 C +ATOM 4387 C HIS A 309 167.752 176.009 218.622 1.00 31.33 C +ATOM 4388 O HIS A 309 168.460 176.733 219.322 1.00 32.91 O +ATOM 4389 CB HIS A 309 165.721 176.850 217.469 1.00 29.71 C +ATOM 4390 CG HIS A 309 165.467 177.768 218.621 1.00 26.05 C +ATOM 4391 ND1 HIS A 309 165.527 179.139 218.506 1.00 30.31 N +ATOM 4392 CD2 HIS A 309 165.210 177.510 219.924 1.00 30.74 C +ATOM 4393 CE1 HIS A 309 165.291 179.687 219.684 1.00 32.39 C +ATOM 4394 NE2 HIS A 309 165.095 178.720 220.561 1.00 34.59 N +ATOM 4395 H HIS A 309 166.675 175.257 215.856 1.00 32.29 H +ATOM 4396 HA HIS A 309 167.668 177.325 217.061 1.00 35.58 H +ATOM 4397 HB2 HIS A 309 165.399 177.284 216.663 1.00 35.65 H +ATOM 4398 HB3 HIS A 309 165.224 176.031 217.624 1.00 35.65 H +ATOM 4399 HD2 HIS A 309 165.115 176.670 220.312 1.00 36.88 H +ATOM 4400 HE1 HIS A 309 165.266 180.599 219.865 1.00 38.86 H +ATOM 4401 HE2 HIS A 309 164.922 178.830 221.396 1.00 41.51 H +ATOM 4402 N ASN A 310 167.422 174.770 218.970 1.00 32.82 N +ATOM 4403 CA ASN A 310 167.848 174.203 220.241 1.00 35.04 C +ATOM 4404 C ASN A 310 169.327 173.834 220.236 1.00 29.63 C +ATOM 4405 O ASN A 310 169.955 173.760 221.291 1.00 32.96 O +ATOM 4406 CB ASN A 310 166.997 172.982 220.587 1.00 33.68 C +ATOM 4407 CG ASN A 310 165.576 173.354 220.967 1.00 40.76 C +ATOM 4408 OD1 ASN A 310 165.296 174.498 221.321 1.00 38.07 O +ATOM 4409 ND2 ASN A 310 164.671 172.386 220.901 1.00 47.76 N +ATOM 4410 H ASN A 310 166.950 174.238 218.486 1.00 39.39 H +ATOM 4411 HA ASN A 310 167.712 174.864 220.937 1.00 42.05 H +ATOM 4412 HB2 ASN A 310 166.958 172.394 219.816 1.00 40.41 H +ATOM 4413 HB3 ASN A 310 167.398 172.519 221.339 1.00 40.41 H +ATOM 4414 HD21 ASN A 310 163.851 172.548 221.106 1.00 57.31 H +ATOM 4415 HD22 ASN A 310 164.903 171.596 220.652 1.00 57.31 H +ATOM 4416 N ARG A 311 169.885 173.613 219.052 1.00 28.97 N +ATOM 4417 CA ARG A 311 171.320 173.400 218.921 1.00 31.73 C +ATOM 4418 C ARG A 311 172.067 174.701 219.215 1.00 31.83 C +ATOM 4419 O ARG A 311 173.056 174.708 219.944 1.00 33.79 O +ATOM 4420 CB ARG A 311 171.671 172.892 217.522 1.00 28.34 C +ATOM 4421 CG ARG A 311 173.101 172.387 217.384 1.00 31.67 C +ATOM 4422 CD ARG A 311 173.481 172.162 215.927 1.00 34.94 C +ATOM 4423 NE ARG A 311 173.587 173.425 215.200 1.00 32.69 N +ATOM 4424 CZ ARG A 311 174.684 174.174 215.140 1.00 33.18 C +ATOM 4425 NH1 ARG A 311 174.673 175.310 214.456 1.00 30.91 N +ATOM 4426 NH2 ARG A 311 175.795 173.794 215.760 1.00 30.28 N +ATOM 4427 H ARG A 311 169.454 173.582 218.308 1.00 34.76 H +ATOM 4428 HA ARG A 311 171.605 172.734 219.566 1.00 38.08 H +ATOM 4429 HB2 ARG A 311 171.076 172.159 217.299 1.00 34.01 H +ATOM 4430 HB3 ARG A 311 171.551 173.617 216.888 1.00 34.01 H +ATOM 4431 HG2 ARG A 311 173.709 173.043 217.758 1.00 38.00 H +ATOM 4432 HG3 ARG A 311 173.188 171.543 217.854 1.00 38.00 H +ATOM 4433 HD2 ARG A 311 174.341 171.715 215.886 1.00 41.93 H +ATOM 4434 HD3 ARG A 311 172.800 171.621 215.498 1.00 41.93 H +ATOM 4435 HE ARG A 311 172.889 173.704 214.781 1.00 39.22 H +ATOM 4436 HH11 ARG A 311 173.957 175.561 214.051 1.00 37.09 H +ATOM 4437 HH12 ARG A 311 175.383 175.794 214.414 1.00 37.09 H +ATOM 4438 HH21 ARG A 311 175.808 173.059 216.207 1.00 36.33 H +ATOM 4439 HH22 ARG A 311 176.501 174.283 215.716 1.00 36.33 H +ATOM 4440 N VAL A 312 171.585 175.801 218.644 1.00 33.46 N +ATOM 4441 CA VAL A 312 172.205 177.105 218.852 1.00 31.52 C +ATOM 4442 C VAL A 312 172.091 177.516 220.314 1.00 25.31 C +ATOM 4443 O VAL A 312 173.006 178.129 220.862 1.00 28.86 O +ATOM 4444 CB VAL A 312 171.570 178.185 217.947 1.00 27.98 C +ATOM 4445 CG1 VAL A 312 172.044 179.587 218.339 1.00 25.64 C +ATOM 4446 CG2 VAL A 312 171.900 177.907 216.491 1.00 27.11 C +ATOM 4447 H VAL A 312 170.896 175.819 218.130 1.00 40.15 H +ATOM 4448 HA VAL A 312 173.148 177.045 218.630 1.00 37.82 H +ATOM 4449 HB VAL A 312 170.606 178.155 218.048 1.00 33.58 H +ATOM 4450 HG11 VAL A 312 171.626 180.237 217.752 1.00 30.77 H +ATOM 4451 HG12 VAL A 312 171.790 179.760 219.259 1.00 30.77 H +ATOM 4452 HG13 VAL A 312 173.009 179.631 218.248 1.00 30.77 H +ATOM 4453 HG21 VAL A 312 171.494 178.593 215.939 1.00 32.53 H +ATOM 4454 HG22 VAL A 312 172.863 177.917 216.379 1.00 32.53 H +ATOM 4455 HG23 VAL A 312 171.548 177.036 216.249 1.00 32.53 H +ATOM 4456 N CYS A 313 170.968 177.183 220.940 1.00 29.54 N +ATOM 4457 CA CYS A 313 170.797 177.417 222.368 1.00 32.88 C +ATOM 4458 C CYS A 313 171.936 176.769 223.156 1.00 36.10 C +ATOM 4459 O CYS A 313 172.524 177.396 224.037 1.00 28.53 O +ATOM 4460 CB CYS A 313 169.449 176.876 222.849 1.00 38.63 C +ATOM 4461 SG CYS A 313 168.038 177.974 222.556 1.00 31.28 S +ATOM 4462 H CYS A 313 170.288 176.820 220.559 1.00 35.45 H +ATOM 4463 HA CYS A 313 170.817 178.371 222.539 1.00 39.46 H +ATOM 4464 HB2 CYS A 313 169.270 176.040 222.389 1.00 46.35 H +ATOM 4465 HB3 CYS A 313 169.503 176.716 223.804 1.00 46.35 H +ATOM 4466 HG CYS A 313 167.936 178.173 221.377 1.00 37.54 H +ATOM 4467 N ASP A 314 172.248 175.519 222.827 1.00 42.27 N +ATOM 4468 CA ASP A 314 173.321 174.795 223.497 1.00 35.83 C +ATOM 4469 C ASP A 314 174.670 175.479 223.290 1.00 34.81 C +ATOM 4470 O ASP A 314 175.466 175.584 224.223 1.00 37.08 O +ATOM 4471 CB ASP A 314 173.392 173.348 223.000 1.00 39.18 C +ATOM 4472 CG ASP A 314 172.242 172.495 223.506 1.00 42.99 C +ATOM 4473 OD1 ASP A 314 171.707 172.786 224.595 1.00 35.74 O +ATOM 4474 OD2 ASP A 314 171.880 171.524 222.809 1.00 43.89 O +ATOM 4475 H ASP A 314 171.850 175.065 222.214 1.00 50.72 H +ATOM 4476 HA ASP A 314 173.140 174.775 224.450 1.00 42.99 H +ATOM 4477 HB2 ASP A 314 173.362 173.345 222.030 1.00 47.01 H +ATOM 4478 HB3 ASP A 314 174.220 172.948 223.308 1.00 47.01 H +ATOM 4479 N VAL A 315 174.926 175.937 222.069 1.00 33.62 N +ATOM 4480 CA VAL A 315 176.173 176.629 221.761 1.00 33.54 C +ATOM 4481 C VAL A 315 176.304 177.901 222.590 1.00 39.48 C +ATOM 4482 O VAL A 315 177.364 178.176 223.152 1.00 37.17 O +ATOM 4483 CB VAL A 315 176.273 176.987 220.258 1.00 34.07 C +ATOM 4484 CG1 VAL A 315 177.471 177.906 219.987 1.00 28.62 C +ATOM 4485 CG2 VAL A 315 176.377 175.726 219.418 1.00 28.88 C +ATOM 4486 H VAL A 315 174.392 175.860 221.399 1.00 40.35 H +ATOM 4487 HA VAL A 315 176.918 176.049 221.981 1.00 40.25 H +ATOM 4488 HB VAL A 315 175.469 177.458 219.992 1.00 40.88 H +ATOM 4489 HG11 VAL A 315 177.504 178.109 219.039 1.00 34.35 H +ATOM 4490 HG12 VAL A 315 177.364 178.723 220.498 1.00 34.35 H +ATOM 4491 HG13 VAL A 315 178.285 177.451 220.256 1.00 34.35 H +ATOM 4492 HG21 VAL A 315 176.439 175.975 218.483 1.00 34.65 H +ATOM 4493 HG22 VAL A 315 177.170 175.235 219.684 1.00 34.65 H +ATOM 4494 HG23 VAL A 315 175.586 175.184 219.566 1.00 34.65 H +ATOM 4495 N LEU A 316 175.226 178.675 222.662 1.00 39.33 N +ATOM 4496 CA LEU A 316 175.248 179.949 223.374 1.00 44.12 C +ATOM 4497 C LEU A 316 175.381 179.752 224.879 1.00 39.11 C +ATOM 4498 O LEU A 316 175.990 180.573 225.562 1.00 39.33 O +ATOM 4499 CB LEU A 316 173.987 180.761 223.067 1.00 41.75 C +ATOM 4500 CG LEU A 316 173.878 181.350 221.659 1.00 31.53 C +ATOM 4501 CD1 LEU A 316 172.520 182.010 221.472 1.00 38.13 C +ATOM 4502 CD2 LEU A 316 174.995 182.347 221.397 1.00 35.04 C +ATOM 4503 H LEU A 316 174.467 178.486 222.305 1.00 47.20 H +ATOM 4504 HA LEU A 316 176.014 180.463 223.073 1.00 52.94 H +ATOM 4505 HB2 LEU A 316 173.217 180.186 223.197 1.00 50.10 H +ATOM 4506 HB3 LEU A 316 173.944 181.501 223.692 1.00 50.10 H +ATOM 4507 HG LEU A 316 173.956 180.634 221.010 1.00 37.83 H +ATOM 4508 HD11 LEU A 316 172.468 182.378 220.576 1.00 45.76 H +ATOM 4509 HD12 LEU A 316 171.826 181.344 221.598 1.00 45.76 H +ATOM 4510 HD13 LEU A 316 172.420 182.719 222.127 1.00 45.76 H +ATOM 4511 HD21 LEU A 316 174.896 182.701 220.499 1.00 42.05 H +ATOM 4512 HD22 LEU A 316 174.934 183.067 222.045 1.00 42.05 H +ATOM 4513 HD23 LEU A 316 175.848 181.895 221.483 1.00 42.05 H +ATOM 4514 N LYS A 317 174.809 178.671 225.398 1.00 44.53 N +ATOM 4515 CA LYS A 317 174.899 178.395 226.826 1.00 42.83 C +ATOM 4516 C LYS A 317 176.343 178.119 227.221 1.00 43.65 C +ATOM 4517 O LYS A 317 176.788 178.502 228.302 1.00 48.17 O +ATOM 4518 CB LYS A 317 174.016 177.213 227.214 1.00 39.77 C +ATOM 4519 CG LYS A 317 174.061 176.911 228.699 1.00 41.52 C +ATOM 4520 CD LYS A 317 172.887 176.067 229.155 1.00 55.33 C +ATOM 4521 CE LYS A 317 172.504 176.411 230.584 1.00 56.29 C +ATOM 4522 NZ LYS A 317 171.722 177.673 230.651 1.00 51.11 N +ATOM 4523 H LYS A 317 174.366 178.087 224.949 1.00 53.43 H +ATOM 4524 HA LYS A 317 174.595 179.173 227.319 1.00 51.39 H +ATOM 4525 HB2 LYS A 317 173.097 177.413 226.976 1.00 47.72 H +ATOM 4526 HB3 LYS A 317 174.317 176.423 226.738 1.00 47.72 H +ATOM 4527 HG2 LYS A 317 174.877 176.426 228.899 1.00 49.83 H +ATOM 4528 HG3 LYS A 317 174.042 177.746 229.192 1.00 49.83 H +ATOM 4529 HD2 LYS A 317 172.124 176.240 228.583 1.00 66.39 H +ATOM 4530 HD3 LYS A 317 173.131 175.129 229.120 1.00 66.39 H +ATOM 4531 HE2 LYS A 317 171.960 175.696 230.950 1.00 67.55 H +ATOM 4532 HE3 LYS A 317 173.310 176.524 231.113 1.00 67.55 H +ATOM 4533 HZ1 LYS A 317 171.509 177.854 231.496 1.00 61.33 H +ATOM 4534 HZ2 LYS A 317 172.202 178.346 230.323 1.00 61.33 H +ATOM 4535 HZ3 LYS A 317 170.974 177.592 230.175 1.00 61.33 H +ATOM 4536 N GLN A 318 177.073 177.453 226.335 1.00 35.86 N +ATOM 4537 CA GLN A 318 178.491 177.204 226.547 1.00 46.40 C +ATOM 4538 C GLN A 318 179.261 178.522 226.538 1.00 46.20 C +ATOM 4539 O GLN A 318 180.142 178.743 227.366 1.00 54.84 O +ATOM 4540 CB GLN A 318 179.034 176.260 225.474 1.00 46.85 C +ATOM 4541 CG GLN A 318 180.444 175.768 225.735 1.00 64.91 C +ATOM 4542 CD GLN A 318 180.904 174.757 224.706 1.00 76.94 C +ATOM 4543 OE1 GLN A 318 180.392 174.715 223.587 1.00 71.64 O +ATOM 4544 NE2 GLN A 318 181.873 173.931 225.081 1.00 86.20 N +ATOM 4545 H GLN A 318 176.768 177.132 225.597 1.00 43.03 H +ATOM 4546 HA GLN A 318 178.616 176.784 227.413 1.00 55.68 H +ATOM 4547 HB2 GLN A 318 178.456 175.483 225.422 1.00 56.21 H +ATOM 4548 HB3 GLN A 318 179.036 176.724 224.623 1.00 56.21 H +ATOM 4549 HG2 GLN A 318 181.052 176.523 225.709 1.00 77.89 H +ATOM 4550 HG3 GLN A 318 180.476 175.346 226.608 1.00 77.89 H +ATOM 4551 HE21 GLN A 318 182.205 173.989 225.873 1.00103.45 H +ATOM 4552 HE22 GLN A 318 182.170 173.339 224.533 1.00103.45 H +ATOM 4553 N GLU A 319 178.912 179.395 225.599 1.00 46.66 N +ATOM 4554 CA GLU A 319 179.540 180.706 225.486 1.00 39.56 C +ATOM 4555 C GLU A 319 179.119 181.634 226.617 1.00 36.56 C +ATOM 4556 O GLU A 319 179.852 182.553 226.978 1.00 43.20 O +ATOM 4557 CB GLU A 319 179.187 181.354 224.145 1.00 45.25 C +ATOM 4558 CG GLU A 319 179.747 180.635 222.933 1.00 59.51 C +ATOM 4559 CD GLU A 319 181.258 180.690 222.872 1.00 69.05 C +ATOM 4560 OE1 GLU A 319 181.815 181.804 222.959 1.00 60.82 O +ATOM 4561 OE2 GLU A 319 181.886 179.619 222.741 1.00 65.84 O +ATOM 4562 H GLU A 319 178.305 179.250 225.008 1.00 55.99 H +ATOM 4563 HA GLU A 319 180.503 180.600 225.526 1.00 47.47 H +ATOM 4564 HB2 GLU A 319 178.222 181.374 224.054 1.00 54.29 H +ATOM 4565 HB3 GLU A 319 179.535 182.259 224.136 1.00 54.29 H +ATOM 4566 HG2 GLU A 319 179.482 179.702 222.968 1.00 71.41 H +ATOM 4567 HG3 GLU A 319 179.398 181.050 222.129 1.00 71.41 H +ATOM 4568 N HIS A 320 177.931 181.398 227.165 1.00 36.30 N +ATOM 4569 CA HIS A 320 177.355 182.290 228.165 1.00 41.12 C +ATOM 4570 C HIS A 320 176.589 181.526 229.239 1.00 44.97 C +ATOM 4571 O HIS A 320 175.359 181.517 229.239 1.00 42.37 O +ATOM 4572 CB HIS A 320 176.427 183.305 227.497 1.00 36.35 C +ATOM 4573 CG HIS A 320 177.111 184.188 226.501 1.00 36.12 C +ATOM 4574 ND1 HIS A 320 177.877 185.272 226.871 1.00 36.02 N +ATOM 4575 CD2 HIS A 320 177.144 184.148 225.148 1.00 39.74 C +ATOM 4576 CE1 HIS A 320 178.353 185.861 225.789 1.00 36.61 C +ATOM 4577 NE2 HIS A 320 177.923 185.199 224.731 1.00 33.40 N +ATOM 4578 H HIS A 320 177.435 180.722 226.972 1.00 43.56 H +ATOM 4579 HA HIS A 320 178.071 182.779 228.600 1.00 49.35 H +ATOM 4580 HB2 HIS A 320 175.722 182.826 227.033 1.00 43.62 H +ATOM 4581 HB3 HIS A 320 176.042 183.874 228.182 1.00 43.62 H +ATOM 4582 HD1 HIS A 320 178.023 185.525 227.680 1.00 43.23 H +ATOM 4583 HD2 HIS A 320 176.720 183.525 224.604 1.00 47.68 H +ATOM 4584 HE1 HIS A 320 178.898 186.615 225.776 1.00 43.94 H +ATOM 4585 HE2 HIS A 320 178.102 185.394 223.913 1.00 40.08 H +ATOM 4586 N PRO A 321 177.314 180.880 230.163 1.00 51.84 N +ATOM 4587 CA PRO A 321 176.654 180.199 231.283 1.00 41.26 C +ATOM 4588 C PRO A 321 175.909 181.165 232.202 1.00 40.98 C +ATOM 4589 O PRO A 321 175.070 180.736 232.991 1.00 36.25 O +ATOM 4590 CB PRO A 321 177.818 179.524 232.021 1.00 42.27 C +ATOM 4591 CG PRO A 321 179.045 180.240 231.568 1.00 44.87 C +ATOM 4592 CD PRO A 321 178.772 180.672 230.169 1.00 44.62 C +ATOM 4593 HA PRO A 321 176.041 179.522 230.956 1.00 49.51 H +ATOM 4594 HB2 PRO A 321 177.699 179.622 232.979 1.00 50.72 H +ATOM 4595 HB3 PRO A 321 177.860 178.586 231.776 1.00 50.72 H +ATOM 4596 HG2 PRO A 321 179.200 181.010 232.138 1.00 53.85 H +ATOM 4597 HG3 PRO A 321 179.803 179.636 231.597 1.00 53.85 H +ATOM 4598 HD2 PRO A 321 179.234 181.502 229.974 1.00 53.55 H +ATOM 4599 HD3 PRO A 321 179.017 179.972 229.544 1.00 53.55 H +ATOM 4600 N GLU A 322 176.211 182.455 232.089 1.00 48.47 N +ATOM 4601 CA GLU A 322 175.572 183.470 232.920 1.00 45.29 C +ATOM 4602 C GLU A 322 174.240 183.951 232.341 1.00 44.16 C +ATOM 4603 O GLU A 322 173.469 184.619 233.025 1.00 42.42 O +ATOM 4604 CB GLU A 322 176.510 184.670 233.118 1.00 46.94 C +ATOM 4605 CG GLU A 322 176.678 185.595 231.900 1.00 51.04 C +ATOM 4606 CD GLU A 322 177.563 185.007 230.816 1.00 49.61 C +ATOM 4607 OE1 GLU A 322 178.027 183.856 230.974 1.00 45.43 O +ATOM 4608 OE2 GLU A 322 177.796 185.701 229.803 1.00 43.74 O +ATOM 4609 H GLU A 322 176.787 182.770 231.533 1.00 58.17 H +ATOM 4610 HA GLU A 322 175.393 183.089 233.794 1.00 54.35 H +ATOM 4611 HB2 GLU A 322 176.167 185.211 233.846 1.00 56.33 H +ATOM 4612 HB3 GLU A 322 177.390 184.335 233.351 1.00 56.33 H +ATOM 4613 HG2 GLU A 322 175.806 185.765 231.513 1.00 61.24 H +ATOM 4614 HG3 GLU A 322 177.079 186.428 232.191 1.00 61.24 H +ATOM 4615 N TRP A 323 173.975 183.619 231.081 1.00 40.50 N +ATOM 4616 CA TRP A 323 172.757 184.075 230.413 1.00 40.42 C +ATOM 4617 C TRP A 323 171.513 183.361 230.922 1.00 38.54 C +ATOM 4618 O TRP A 323 171.564 182.193 231.302 1.00 42.69 O +ATOM 4619 CB TRP A 323 172.861 183.872 228.899 1.00 38.66 C +ATOM 4620 CG TRP A 323 173.574 184.969 228.173 1.00 32.69 C +ATOM 4621 CD1 TRP A 323 174.293 185.988 228.723 1.00 32.91 C +ATOM 4622 CD2 TRP A 323 173.632 185.156 226.756 1.00 32.12 C +ATOM 4623 NE1 TRP A 323 174.797 186.798 227.735 1.00 31.40 N +ATOM 4624 CE2 TRP A 323 174.404 186.308 226.518 1.00 31.64 C +ATOM 4625 CE3 TRP A 323 173.104 184.460 225.664 1.00 29.12 C +ATOM 4626 CZ2 TRP A 323 174.662 186.779 225.234 1.00 31.47 C +ATOM 4627 CZ3 TRP A 323 173.361 184.929 224.393 1.00 30.33 C +ATOM 4628 CH2 TRP A 323 174.133 186.076 224.188 1.00 32.52 C +ATOM 4629 H TRP A 323 174.484 183.131 230.589 1.00 48.60 H +ATOM 4630 HA TRP A 323 172.644 185.023 230.580 1.00 48.51 H +ATOM 4631 HB2 TRP A 323 173.342 183.047 228.729 1.00 46.39 H +ATOM 4632 HB3 TRP A 323 171.966 183.810 228.532 1.00 46.39 H +ATOM 4633 HD1 TRP A 323 174.425 186.116 229.635 1.00 39.49 H +ATOM 4634 HE1 TRP A 323 175.280 187.498 227.861 1.00 37.68 H +ATOM 4635 HE3 TRP A 323 172.590 183.696 225.793 1.00 34.95 H +ATOM 4636 HZ2 TRP A 323 175.175 187.542 225.094 1.00 37.76 H +ATOM 4637 HZ3 TRP A 323 173.016 184.473 223.660 1.00 36.40 H +ATOM 4638 HH2 TRP A 323 174.290 186.369 223.319 1.00 39.02 H +ATOM 4639 N GLY A 324 170.395 184.077 230.910 1.00 35.34 N +ATOM 4640 CA GLY A 324 169.113 183.507 231.272 1.00 30.57 C +ATOM 4641 C GLY A 324 168.389 182.974 230.052 1.00 32.23 C +ATOM 4642 O GLY A 324 168.834 183.174 228.923 1.00 34.93 O +ATOM 4643 H GLY A 324 170.356 184.907 230.691 1.00 42.40 H +ATOM 4644 HA2 GLY A 324 169.244 182.778 231.899 1.00 36.69 H +ATOM 4645 HA3 GLY A 324 168.560 184.184 231.692 1.00 36.69 H +ATOM 4646 N ASP A 325 167.270 182.298 230.288 1.00 28.37 N +ATOM 4647 CA ASP A 325 166.471 181.698 229.225 1.00 30.31 C +ATOM 4648 C ASP A 325 166.046 182.706 228.153 1.00 30.91 C +ATOM 4649 O ASP A 325 166.102 182.413 226.960 1.00 29.60 O +ATOM 4650 CB ASP A 325 165.231 181.030 229.831 1.00 22.83 C +ATOM 4651 CG ASP A 325 164.163 180.734 228.800 1.00 31.16 C +ATOM 4652 OD1 ASP A 325 164.300 179.733 228.068 1.00 35.05 O +ATOM 4653 OD2 ASP A 325 163.177 181.498 228.728 1.00 32.44 O +ATOM 4654 H ASP A 325 166.945 182.170 231.074 1.00 34.05 H +ATOM 4655 HA ASP A 325 166.997 181.009 228.791 1.00 36.37 H +ATOM 4656 HB2 ASP A 325 165.493 180.191 230.241 1.00 27.40 H +ATOM 4657 HB3 ASP A 325 164.849 181.621 230.498 1.00 27.40 H +ATOM 4658 N GLU A 326 165.622 183.891 228.576 1.00 29.23 N +ATOM 4659 CA GLU A 326 165.094 184.879 227.644 1.00 33.19 C +ATOM 4660 C GLU A 326 166.152 185.333 226.639 1.00 27.94 C +ATOM 4661 O GLU A 326 165.896 185.360 225.437 1.00 22.89 O +ATOM 4662 CB GLU A 326 164.541 186.088 228.403 1.00 31.50 C +ATOM 4663 CG GLU A 326 163.879 187.141 227.517 1.00 24.68 C +ATOM 4664 CD GLU A 326 162.629 186.637 226.827 1.00 26.50 C +ATOM 4665 OE1 GLU A 326 162.095 185.585 227.237 1.00 30.67 O +ATOM 4666 OE2 GLU A 326 162.178 187.298 225.872 1.00 28.05 O +ATOM 4667 H GLU A 326 165.629 184.147 229.397 1.00 35.07 H +ATOM 4668 HA GLU A 326 164.363 184.481 227.147 1.00 39.83 H +ATOM 4669 HB2 GLU A 326 163.876 185.778 229.038 1.00 37.80 H +ATOM 4670 HB3 GLU A 326 165.270 186.518 228.876 1.00 37.80 H +ATOM 4671 HG2 GLU A 326 163.632 187.902 228.064 1.00 29.62 H +ATOM 4672 HG3 GLU A 326 164.508 187.416 226.832 1.00 29.62 H +ATOM 4673 N GLN A 327 167.337 185.683 227.128 1.00 21.58 N +ATOM 4674 CA GLN A 327 168.404 186.145 226.253 1.00 27.23 C +ATOM 4675 C GLN A 327 168.915 185.017 225.358 1.00 31.03 C +ATOM 4676 O GLN A 327 169.282 185.253 224.208 1.00 28.63 O +ATOM 4677 CB GLN A 327 169.557 186.737 227.068 1.00 29.88 C +ATOM 4678 CG GLN A 327 170.677 187.289 226.205 1.00 26.96 C +ATOM 4679 CD GLN A 327 171.565 188.270 226.939 1.00 24.41 C +ATOM 4680 OE1 GLN A 327 171.556 188.339 228.166 1.00 35.27 O +ATOM 4681 NE2 GLN A 327 172.335 189.043 226.186 1.00 26.32 N +ATOM 4682 H GLN A 327 167.546 185.661 227.962 1.00 25.90 H +ATOM 4683 HA GLN A 327 168.057 186.846 225.679 1.00 32.68 H +ATOM 4684 HB2 GLN A 327 169.216 187.461 227.615 1.00 35.86 H +ATOM 4685 HB3 GLN A 327 169.930 186.043 227.634 1.00 35.86 H +ATOM 4686 HG2 GLN A 327 171.233 186.554 225.901 1.00 32.36 H +ATOM 4687 HG3 GLN A 327 170.291 187.749 225.443 1.00 32.36 H +ATOM 4688 HE21 GLN A 327 172.311 188.969 225.330 1.00 31.58 H +ATOM 4689 HE22 GLN A 327 172.858 189.617 226.554 1.00 31.58 H +ATOM 4690 N LEU A 328 168.939 183.798 225.886 1.00 29.72 N +ATOM 4691 CA LEU A 328 169.344 182.636 225.100 1.00 31.20 C +ATOM 4692 C LEU A 328 168.385 182.422 223.931 1.00 28.37 C +ATOM 4693 O LEU A 328 168.810 182.125 222.815 1.00 23.90 O +ATOM 4694 CB LEU A 328 169.398 181.376 225.971 1.00 33.06 C +ATOM 4695 CG LEU A 328 170.630 181.183 226.861 1.00 35.26 C +ATOM 4696 CD1 LEU A 328 170.369 180.103 227.898 1.00 36.82 C +ATOM 4697 CD2 LEU A 328 171.857 180.829 226.037 1.00 31.93 C +ATOM 4698 H LEU A 328 168.725 183.616 226.699 1.00 35.66 H +ATOM 4699 HA LEU A 328 170.230 182.791 224.739 1.00 37.44 H +ATOM 4700 HB2 LEU A 328 168.624 181.382 226.555 1.00 39.67 H +ATOM 4701 HB3 LEU A 328 169.348 180.604 225.385 1.00 39.67 H +ATOM 4702 HG LEU A 328 170.813 182.011 227.331 1.00 42.31 H +ATOM 4703 HD11 LEU A 328 171.160 179.998 228.449 1.00 44.19 H +ATOM 4704 HD12 LEU A 328 169.616 180.369 228.447 1.00 44.19 H +ATOM 4705 HD13 LEU A 328 170.170 179.270 227.442 1.00 44.19 H +ATOM 4706 HD21 LEU A 328 172.614 180.715 226.632 1.00 38.32 H +ATOM 4707 HD22 LEU A 328 171.686 180.004 225.556 1.00 38.32 H +ATOM 4708 HD23 LEU A 328 172.033 181.548 225.410 1.00 38.32 H +ATOM 4709 N PHE A 329 167.091 182.574 224.192 1.00 27.07 N +ATOM 4710 CA PHE A 329 166.085 182.396 223.153 1.00 21.67 C +ATOM 4711 C PHE A 329 166.161 183.488 222.088 1.00 33.28 C +ATOM 4712 O PHE A 329 166.136 183.198 220.891 1.00 22.94 O +ATOM 4713 CB PHE A 329 164.677 182.378 223.747 1.00 22.72 C +ATOM 4714 CG PHE A 329 163.601 182.564 222.720 1.00 25.51 C +ATOM 4715 CD1 PHE A 329 163.161 181.494 221.960 1.00 21.72 C +ATOM 4716 CD2 PHE A 329 163.051 183.814 222.489 1.00 24.16 C +ATOM 4717 CE1 PHE A 329 162.182 181.666 221.002 1.00 30.21 C +ATOM 4718 CE2 PHE A 329 162.074 183.991 221.531 1.00 22.09 C +ATOM 4719 CZ PHE A 329 161.638 182.919 220.787 1.00 26.49 C +ATOM 4720 H PHE A 329 166.769 182.779 224.963 1.00 32.49 H +ATOM 4721 HA PHE A 329 166.235 181.543 222.716 1.00 26.00 H +ATOM 4722 HB2 PHE A 329 164.530 181.524 224.183 1.00 27.26 H +ATOM 4723 HB3 PHE A 329 164.599 183.097 224.393 1.00 27.26 H +ATOM 4724 HD1 PHE A 329 163.525 180.650 222.100 1.00 26.06 H +ATOM 4725 HD2 PHE A 329 163.343 184.542 222.988 1.00 28.99 H +ATOM 4726 HE1 PHE A 329 161.889 180.939 220.501 1.00 36.25 H +ATOM 4727 HE2 PHE A 329 161.708 184.835 221.390 1.00 26.51 H +ATOM 4728 HZ PHE A 329 160.977 183.036 220.144 1.00 31.79 H +ATOM 4729 N GLN A 330 166.235 184.740 222.528 1.00 27.72 N +ATOM 4730 CA GLN A 330 166.236 185.869 221.605 1.00 27.26 C +ATOM 4731 C GLN A 330 167.479 185.845 220.718 1.00 27.58 C +ATOM 4732 O GLN A 330 167.389 186.037 219.507 1.00 22.18 O +ATOM 4733 CB GLN A 330 166.158 187.196 222.366 1.00 19.87 C +ATOM 4734 CG GLN A 330 164.874 187.400 223.168 1.00 23.51 C +ATOM 4735 CD GLN A 330 163.634 187.556 222.304 1.00 27.22 C +ATOM 4736 OE1 GLN A 330 163.719 187.775 221.098 1.00 29.07 O +ATOM 4737 NE2 GLN A 330 162.470 187.444 222.927 1.00 27.08 N +ATOM 4738 H GLN A 330 166.286 184.963 223.357 1.00 33.26 H +ATOM 4739 HA GLN A 330 165.457 185.807 221.030 1.00 32.71 H +ATOM 4740 HB2 GLN A 330 166.902 187.241 222.987 1.00 23.84 H +ATOM 4741 HB3 GLN A 330 166.223 187.923 221.727 1.00 23.84 H +ATOM 4742 HG2 GLN A 330 164.740 186.632 223.745 1.00 28.21 H +ATOM 4743 HG3 GLN A 330 164.965 188.203 223.706 1.00 28.21 H +ATOM 4744 HE21 GLN A 330 162.448 187.291 223.773 1.00 32.49 H +ATOM 4745 HE22 GLN A 330 161.736 187.523 222.485 1.00 32.49 H +ATOM 4746 N THR A 331 168.637 185.598 221.319 1.00 26.60 N +ATOM 4747 CA THR A 331 169.887 185.611 220.569 1.00 20.20 C +ATOM 4748 C THR A 331 169.913 184.464 219.563 1.00 23.31 C +ATOM 4749 O THR A 331 170.453 184.607 218.470 1.00 25.31 O +ATOM 4750 CB THR A 331 171.107 185.520 221.503 1.00 24.22 C +ATOM 4751 OG1 THR A 331 171.055 186.585 222.458 1.00 22.63 O +ATOM 4752 CG2 THR A 331 172.406 185.628 220.711 1.00 24.76 C +ATOM 4753 H THR A 331 168.727 185.422 222.156 1.00 31.92 H +ATOM 4754 HA THR A 331 169.949 186.444 220.076 1.00 24.23 H +ATOM 4755 HB THR A 331 171.098 184.668 221.966 1.00 29.06 H +ATOM 4756 HG1 THR A 331 170.352 186.528 222.914 1.00 27.16 H +ATOM 4757 HG21 THR A 331 173.165 185.569 221.312 1.00 29.72 H +ATOM 4758 HG22 THR A 331 172.460 184.909 220.063 1.00 29.72 H +ATOM 4759 HG23 THR A 331 172.439 186.477 220.244 1.00 29.72 H +ATOM 4760 N SER A 332 169.312 183.333 219.924 1.00 24.89 N +ATOM 4761 CA SER A 332 169.213 182.200 219.010 1.00 23.71 C +ATOM 4762 C SER A 332 168.340 182.542 217.811 1.00 25.48 C +ATOM 4763 O SER A 332 168.668 182.195 216.678 1.00 25.17 O +ATOM 4764 CB SER A 332 168.652 180.971 219.723 1.00 24.73 C +ATOM 4765 OG SER A 332 169.562 180.482 220.689 1.00 29.34 O +ATOM 4766 H SER A 332 168.954 183.197 220.693 1.00 29.87 H +ATOM 4767 HA SER A 332 170.099 181.979 218.683 1.00 28.45 H +ATOM 4768 HB2 SER A 332 167.823 181.214 220.165 1.00 29.67 H +ATOM 4769 HB3 SER A 332 168.485 180.275 219.068 1.00 29.67 H +ATOM 4770 HG SER A 332 169.715 181.075 221.265 1.00 35.21 H +ATOM 4771 N ARG A 333 167.226 183.221 218.066 1.00 27.51 N +ATOM 4772 CA ARG A 333 166.315 183.620 217.004 1.00 21.97 C +ATOM 4773 C ARG A 333 167.012 184.529 215.999 1.00 21.65 C +ATOM 4774 O ARG A 333 166.841 184.374 214.795 1.00 23.28 O +ATOM 4775 CB ARG A 333 165.085 184.321 217.579 1.00 30.18 C +ATOM 4776 CG ARG A 333 164.157 184.892 216.520 1.00 26.41 C +ATOM 4777 CD ARG A 333 162.849 185.359 217.111 1.00 20.21 C +ATOM 4778 NE ARG A 333 161.850 185.593 216.077 1.00 16.71 N +ATOM 4779 CZ ARG A 333 160.563 185.815 216.316 1.00 21.84 C +ATOM 4780 NH1 ARG A 333 160.105 185.836 217.562 1.00 21.47 N +ATOM 4781 NH2 ARG A 333 159.730 186.014 215.306 1.00 23.41 N +ATOM 4782 H ARG A 333 166.975 183.463 218.852 1.00 33.01 H +ATOM 4783 HA ARG A 333 166.014 182.827 216.532 1.00 26.36 H +ATOM 4784 HB2 ARG A 333 164.578 183.683 218.105 1.00 36.22 H +ATOM 4785 HB3 ARG A 333 165.377 185.054 218.144 1.00 36.22 H +ATOM 4786 HG2 ARG A 333 164.586 185.651 216.096 1.00 31.69 H +ATOM 4787 HG3 ARG A 333 163.964 184.206 215.862 1.00 31.69 H +ATOM 4788 HD2 ARG A 333 162.509 184.680 217.714 1.00 24.25 H +ATOM 4789 HD3 ARG A 333 162.993 186.191 217.589 1.00 24.25 H +ATOM 4790 HE ARG A 333 162.111 185.587 215.257 1.00 20.05 H +ATOM 4791 HH11 ARG A 333 160.643 185.706 218.220 1.00 25.77 H +ATOM 4792 HH12 ARG A 333 159.270 185.980 217.711 1.00 25.77 H +ATOM 4793 HH21 ARG A 333 160.024 186.001 214.498 1.00 28.09 H +ATOM 4794 HH22 ARG A 333 158.897 186.159 215.458 1.00 28.09 H +ATOM 4795 N LEU A 334 167.799 185.473 216.500 1.00 24.56 N +ATOM 4796 CA LEU A 334 168.541 186.381 215.635 1.00 21.08 C +ATOM 4797 C LEU A 334 169.594 185.641 214.816 1.00 26.41 C +ATOM 4798 O LEU A 334 169.843 185.985 213.661 1.00 30.45 O +ATOM 4799 CB LEU A 334 169.201 187.483 216.462 1.00 24.83 C +ATOM 4800 CG LEU A 334 168.267 188.478 217.162 1.00 25.50 C +ATOM 4801 CD1 LEU A 334 169.083 189.525 217.897 1.00 25.04 C +ATOM 4802 CD2 LEU A 334 167.311 189.143 216.180 1.00 25.75 C +ATOM 4803 H LEU A 334 167.920 185.609 217.340 1.00 29.47 H +ATOM 4804 HA LEU A 334 167.923 186.801 215.017 1.00 25.30 H +ATOM 4805 HB2 LEU A 334 169.740 187.063 217.150 1.00 29.80 H +ATOM 4806 HB3 LEU A 334 169.777 187.997 215.875 1.00 29.80 H +ATOM 4807 HG LEU A 334 167.735 188.001 217.818 1.00 30.59 H +ATOM 4808 HD11 LEU A 334 168.479 190.146 218.334 1.00 30.05 H +ATOM 4809 HD12 LEU A 334 169.640 189.084 218.557 1.00 30.05 H +ATOM 4810 HD13 LEU A 334 169.638 189.998 217.257 1.00 30.05 H +ATOM 4811 HD21 LEU A 334 166.741 189.761 216.663 1.00 30.90 H +ATOM 4812 HD22 LEU A 334 167.827 189.621 215.512 1.00 30.90 H +ATOM 4813 HD23 LEU A 334 166.771 188.459 215.754 1.00 30.90 H +ATOM 4814 N ILE A 335 170.210 184.627 215.413 1.00 24.31 N +ATOM 4815 CA ILE A 335 171.191 183.817 214.708 1.00 20.24 C +ATOM 4816 C ILE A 335 170.497 183.017 213.607 1.00 21.19 C +ATOM 4817 O ILE A 335 170.985 182.950 212.481 1.00 20.83 O +ATOM 4818 CB ILE A 335 171.949 182.881 215.683 1.00 24.01 C +ATOM 4819 CG1 ILE A 335 172.944 183.701 216.511 1.00 24.93 C +ATOM 4820 CG2 ILE A 335 172.699 181.775 214.929 1.00 25.24 C +ATOM 4821 CD1 ILE A 335 173.609 182.936 217.639 1.00 24.47 C +ATOM 4822 H ILE A 335 170.076 184.388 216.229 1.00 29.18 H +ATOM 4823 HA ILE A 335 171.840 184.403 214.289 1.00 24.28 H +ATOM 4824 HB ILE A 335 171.308 182.470 216.283 1.00 28.81 H +ATOM 4825 HG12 ILE A 335 173.644 184.024 215.922 1.00 29.92 H +ATOM 4826 HG13 ILE A 335 172.474 184.453 216.903 1.00 29.92 H +ATOM 4827 HG21 ILE A 335 173.159 181.212 215.571 1.00 30.28 H +ATOM 4828 HG22 ILE A 335 172.059 181.247 214.425 1.00 30.28 H +ATOM 4829 HG23 ILE A 335 173.340 182.182 214.325 1.00 30.28 H +ATOM 4830 HD11 ILE A 335 174.218 183.530 218.106 1.00 29.36 H +ATOM 4831 HD12 ILE A 335 172.926 182.616 218.249 1.00 29.36 H +ATOM 4832 HD13 ILE A 335 174.098 182.186 217.266 1.00 29.36 H +ATOM 4833 N LEU A 336 169.346 182.433 213.924 1.00 23.93 N +ATOM 4834 CA LEU A 336 168.608 181.635 212.951 1.00 24.04 C +ATOM 4835 C LEU A 336 168.063 182.492 211.810 1.00 24.90 C +ATOM 4836 O LEU A 336 167.910 182.007 210.692 1.00 26.11 O +ATOM 4837 CB LEU A 336 167.463 180.873 213.628 1.00 25.90 C +ATOM 4838 CG LEU A 336 167.758 179.394 213.891 1.00 22.99 C +ATOM 4839 CD1 LEU A 336 168.805 179.243 214.982 1.00 22.46 C +ATOM 4840 CD2 LEU A 336 166.492 178.631 214.241 1.00 21.37 C +ATOM 4841 H LEU A 336 168.971 182.483 214.696 1.00 28.72 H +ATOM 4842 HA LEU A 336 169.211 180.980 212.566 1.00 28.85 H +ATOM 4843 HB2 LEU A 336 167.273 181.291 214.482 1.00 31.08 H +ATOM 4844 HB3 LEU A 336 166.679 180.920 213.059 1.00 31.08 H +ATOM 4845 HG LEU A 336 168.121 179.003 213.081 1.00 27.59 H +ATOM 4846 HD11 LEU A 336 168.973 178.299 215.128 1.00 26.95 H +ATOM 4847 HD12 LEU A 336 169.621 179.685 214.699 1.00 26.95 H +ATOM 4848 HD13 LEU A 336 168.472 179.650 215.796 1.00 26.95 H +ATOM 4849 HD21 LEU A 336 166.718 177.701 214.400 1.00 25.64 H +ATOM 4850 HD22 LEU A 336 166.102 179.018 215.040 1.00 25.64 H +ATOM 4851 HD23 LEU A 336 165.868 178.699 213.501 1.00 25.64 H +ATOM 4852 N ILE A 337 167.764 183.758 212.091 1.00 22.74 N +ATOM 4853 CA ILE A 337 167.371 184.689 211.041 1.00 21.44 C +ATOM 4854 C ILE A 337 168.576 184.930 210.134 1.00 20.76 C +ATOM 4855 O ILE A 337 168.447 184.977 208.911 1.00 22.38 O +ATOM 4856 CB ILE A 337 166.845 186.026 211.618 1.00 24.65 C +ATOM 4857 CG1 ILE A 337 165.465 185.818 212.247 1.00 23.27 C +ATOM 4858 CG2 ILE A 337 166.749 187.104 210.522 1.00 21.82 C +ATOM 4859 CD1 ILE A 337 164.944 187.010 213.019 1.00 19.02 C +ATOM 4860 H ILE A 337 167.780 184.100 212.880 1.00 27.29 H +ATOM 4861 HA ILE A 337 166.665 184.290 210.508 1.00 25.72 H +ATOM 4862 HB ILE A 337 167.458 186.332 212.304 1.00 29.57 H +ATOM 4863 HG12 ILE A 337 164.828 185.623 211.542 1.00 27.92 H +ATOM 4864 HG13 ILE A 337 165.513 185.068 212.860 1.00 27.92 H +ATOM 4865 HG21 ILE A 337 166.418 187.926 210.916 1.00 26.19 H +ATOM 4866 HG22 ILE A 337 167.631 187.250 210.145 1.00 26.19 H +ATOM 4867 HG23 ILE A 337 166.140 186.799 209.831 1.00 26.19 H +ATOM 4868 HD11 ILE A 337 164.071 186.794 213.382 1.00 22.82 H +ATOM 4869 HD12 ILE A 337 165.561 187.213 213.740 1.00 22.82 H +ATOM 4870 HD13 ILE A 337 164.875 187.769 212.419 1.00 22.82 H +ATOM 4871 N GLY A 338 169.747 185.072 210.744 1.00 25.57 N +ATOM 4872 CA GLY A 338 170.981 185.216 209.995 1.00 30.70 C +ATOM 4873 C GLY A 338 171.258 184.007 209.121 1.00 28.02 C +ATOM 4874 O GLY A 338 171.600 184.153 207.949 1.00 23.59 O +ATOM 4875 H GLY A 338 169.851 185.089 211.597 1.00 30.69 H +ATOM 4876 HA2 GLY A 338 170.928 186.001 209.428 1.00 36.84 H +ATOM 4877 HA3 GLY A 338 171.723 185.328 210.610 1.00 36.84 H +ATOM 4878 N GLU A 339 171.110 182.813 209.690 1.00 26.48 N +ATOM 4879 CA GLU A 339 171.299 181.573 208.941 1.00 24.36 C +ATOM 4880 C GLU A 339 170.359 181.485 207.747 1.00 27.37 C +ATOM 4881 O GLU A 339 170.756 181.051 206.668 1.00 25.90 O +ATOM 4882 CB GLU A 339 171.076 180.352 209.833 1.00 23.19 C +ATOM 4883 CG GLU A 339 172.098 180.170 210.937 1.00 29.90 C +ATOM 4884 CD GLU A 339 171.892 178.880 211.699 1.00 31.17 C +ATOM 4885 OE1 GLU A 339 171.518 177.871 211.070 1.00 32.17 O +ATOM 4886 OE2 GLU A 339 172.094 178.876 212.929 1.00 38.36 O +ATOM 4887 H GLU A 339 170.900 182.693 210.515 1.00 31.78 H +ATOM 4888 HA GLU A 339 172.209 181.540 208.609 1.00 29.23 H +ATOM 4889 HB2 GLU A 339 170.205 180.430 210.251 1.00 27.82 H +ATOM 4890 HB3 GLU A 339 171.100 179.557 209.278 1.00 27.82 H +ATOM 4891 HG2 GLU A 339 172.987 180.152 210.548 1.00 35.88 H +ATOM 4892 HG3 GLU A 339 172.023 180.906 211.564 1.00 35.88 H +ATOM 4893 N THR A 340 169.109 181.887 207.954 1.00 26.28 N +ATOM 4894 CA THR A 340 168.089 181.787 206.918 1.00 21.61 C +ATOM 4895 C THR A 340 168.451 182.659 205.726 1.00 19.81 C +ATOM 4896 O THR A 340 168.422 182.201 204.591 1.00 25.25 O +ATOM 4897 CB THR A 340 166.692 182.192 207.452 1.00 26.47 C +ATOM 4898 OG1 THR A 340 166.329 181.343 208.546 1.00 24.02 O +ATOM 4899 CG2 THR A 340 165.634 182.072 206.363 1.00 21.55 C +ATOM 4900 H THR A 340 168.826 182.225 208.693 1.00 31.54 H +ATOM 4901 HA THR A 340 168.038 180.867 206.613 1.00 25.94 H +ATOM 4902 HB THR A 340 166.718 183.114 207.754 1.00 31.76 H +ATOM 4903 HG1 THR A 340 166.892 181.416 209.166 1.00 28.83 H +ATOM 4904 HG21 THR A 340 164.767 182.329 206.714 1.00 25.86 H +ATOM 4905 HG22 THR A 340 165.857 182.652 205.618 1.00 25.86 H +ATOM 4906 HG23 THR A 340 165.587 181.156 206.047 1.00 25.86 H +ATOM 4907 N ILE A 341 168.798 183.915 205.988 1.00 30.41 N +ATOM 4908 CA ILE A 341 169.150 184.848 204.923 1.00 37.66 C +ATOM 4909 C ILE A 341 170.416 184.385 204.199 1.00 36.20 C +ATOM 4910 O ILE A 341 170.498 184.454 202.973 1.00 32.60 O +ATOM 4911 CB ILE A 341 169.350 186.276 205.471 1.00 27.46 C +ATOM 4912 CG1 ILE A 341 168.054 186.774 206.120 1.00 28.06 C +ATOM 4913 CG2 ILE A 341 169.772 187.229 204.358 1.00 32.17 C +ATOM 4914 CD1 ILE A 341 168.206 188.053 206.916 1.00 31.86 C +ATOM 4915 H ILE A 341 168.837 184.253 206.777 1.00 36.49 H +ATOM 4916 HA ILE A 341 168.428 184.875 204.276 1.00 45.19 H +ATOM 4917 HB ILE A 341 170.048 186.256 206.145 1.00 32.95 H +ATOM 4918 HG12 ILE A 341 167.400 186.938 205.422 1.00 33.67 H +ATOM 4919 HG13 ILE A 341 167.725 186.089 206.722 1.00 33.67 H +ATOM 4920 HG21 ILE A 341 169.890 188.117 204.730 1.00 38.60 H +ATOM 4921 HG22 ILE A 341 170.606 186.917 203.974 1.00 38.60 H +ATOM 4922 HG23 ILE A 341 169.080 187.245 203.678 1.00 38.60 H +ATOM 4923 HD11 ILE A 341 167.344 188.296 207.290 1.00 38.23 H +ATOM 4924 HD12 ILE A 341 168.847 187.906 207.629 1.00 38.23 H +ATOM 4925 HD13 ILE A 341 168.522 188.756 206.327 1.00 38.23 H +ATOM 4926 N LYS A 342 171.394 183.915 204.965 1.00 31.74 N +ATOM 4927 CA LYS A 342 172.621 183.354 204.409 1.00 35.77 C +ATOM 4928 C LYS A 342 172.323 182.217 203.435 1.00 37.59 C +ATOM 4929 O LYS A 342 172.805 182.209 202.303 1.00 28.73 O +ATOM 4930 CB LYS A 342 173.522 182.848 205.537 1.00 35.70 C +ATOM 4931 CG LYS A 342 174.771 182.091 205.087 1.00 38.11 C +ATOM 4932 CD LYS A 342 175.813 183.023 204.508 1.00 32.13 C +ATOM 4933 CE LYS A 342 177.127 182.296 204.294 1.00 37.60 C +ATOM 4934 NZ LYS A 342 178.222 183.215 203.872 1.00 36.42 N +ATOM 4935 H LYS A 342 171.371 183.911 205.825 1.00 38.09 H +ATOM 4936 HA LYS A 342 173.098 184.047 203.927 1.00 42.93 H +ATOM 4937 HB2 LYS A 342 173.816 183.610 206.061 1.00 42.84 H +ATOM 4938 HB3 LYS A 342 173.005 182.249 206.098 1.00 42.84 H +ATOM 4939 HG2 LYS A 342 175.161 181.637 205.850 1.00 45.73 H +ATOM 4940 HG3 LYS A 342 174.525 181.449 204.403 1.00 45.73 H +ATOM 4941 HD2 LYS A 342 175.506 183.358 203.651 1.00 38.56 H +ATOM 4942 HD3 LYS A 342 175.967 183.758 205.123 1.00 38.56 H +ATOM 4943 HE2 LYS A 342 177.394 181.872 205.125 1.00 45.11 H +ATOM 4944 HE3 LYS A 342 177.011 181.628 203.601 1.00 45.11 H +ATOM 4945 HZ1 LYS A 342 178.976 182.757 203.756 1.00 43.70 H +ATOM 4946 HZ2 LYS A 342 178.005 183.615 203.107 1.00 43.70 H +ATOM 4947 HZ3 LYS A 342 178.354 183.837 204.495 1.00 43.70 H +ATOM 4948 N ILE A 343 171.527 181.257 203.893 1.00 31.71 N +ATOM 4949 CA ILE A 343 171.210 180.076 203.102 1.00 35.49 C +ATOM 4950 C ILE A 343 170.378 180.429 201.875 1.00 29.10 C +ATOM 4951 O ILE A 343 170.618 179.905 200.789 1.00 36.94 O +ATOM 4952 CB ILE A 343 170.474 179.023 203.964 1.00 28.52 C +ATOM 4953 CG1 ILE A 343 171.488 178.321 204.871 1.00 29.82 C +ATOM 4954 CG2 ILE A 343 169.757 177.987 203.094 1.00 32.40 C +ATOM 4955 CD1 ILE A 343 170.880 177.458 205.952 1.00 29.15 C +ATOM 4956 H ILE A 343 171.154 181.267 204.668 1.00 38.05 H +ATOM 4957 HA ILE A 343 172.038 179.677 202.792 1.00 42.59 H +ATOM 4958 HB ILE A 343 169.819 179.475 204.518 1.00 34.22 H +ATOM 4959 HG12 ILE A 343 172.051 177.751 204.324 1.00 35.79 H +ATOM 4960 HG13 ILE A 343 172.033 178.996 205.306 1.00 35.79 H +ATOM 4961 HG21 ILE A 343 169.309 177.347 203.669 1.00 38.88 H +ATOM 4962 HG22 ILE A 343 169.107 178.441 202.535 1.00 38.88 H +ATOM 4963 HG23 ILE A 343 170.411 177.534 202.539 1.00 38.88 H +ATOM 4964 HD11 ILE A 343 171.593 177.057 206.473 1.00 34.98 H +ATOM 4965 HD12 ILE A 343 170.325 178.012 206.523 1.00 34.98 H +ATOM 4966 HD13 ILE A 343 170.343 176.766 205.538 1.00 34.98 H +ATOM 4967 N VAL A 344 169.405 181.316 202.040 1.00 30.55 N +ATOM 4968 CA VAL A 344 168.547 181.701 200.923 1.00 40.96 C +ATOM 4969 C VAL A 344 169.372 182.333 199.800 1.00 30.45 C +ATOM 4970 O VAL A 344 169.199 182.003 198.635 1.00 37.31 O +ATOM 4971 CB VAL A 344 167.431 182.671 201.374 1.00 24.72 C +ATOM 4972 CG1 VAL A 344 166.759 183.350 200.173 1.00 21.66 C +ATOM 4973 CG2 VAL A 344 166.398 181.921 202.195 1.00 30.13 C +ATOM 4974 H VAL A 344 169.219 181.708 202.783 1.00 36.65 H +ATOM 4975 HA VAL A 344 168.122 180.905 200.567 1.00 49.15 H +ATOM 4976 HB VAL A 344 167.817 183.363 201.934 1.00 29.66 H +ATOM 4977 HG11 VAL A 344 166.067 183.948 200.496 1.00 25.99 H +ATOM 4978 HG12 VAL A 344 167.427 183.851 199.680 1.00 25.99 H +ATOM 4979 HG13 VAL A 344 166.368 182.668 199.604 1.00 25.99 H +ATOM 4980 HG21 VAL A 344 165.704 182.540 202.471 1.00 36.15 H +ATOM 4981 HG22 VAL A 344 166.015 181.215 201.651 1.00 36.15 H +ATOM 4982 HG23 VAL A 344 166.831 181.540 202.974 1.00 36.15 H +ATOM 4983 N ILE A 345 170.279 183.233 200.151 1.00 33.48 N +ATOM 4984 CA ILE A 345 171.070 183.931 199.146 1.00 37.85 C +ATOM 4985 C ILE A 345 172.107 183.022 198.482 1.00 33.72 C +ATOM 4986 O ILE A 345 172.214 182.994 197.256 1.00 28.20 O +ATOM 4987 CB ILE A 345 171.778 185.153 199.761 1.00 34.13 C +ATOM 4988 CG1 ILE A 345 170.757 186.269 199.997 1.00 32.81 C +ATOM 4989 CG2 ILE A 345 172.914 185.652 198.855 1.00 35.03 C +ATOM 4990 CD1 ILE A 345 171.291 187.465 200.762 1.00 30.05 C +ATOM 4991 H ILE A 345 170.456 183.459 200.962 1.00 40.17 H +ATOM 4992 HA ILE A 345 170.474 184.254 198.452 1.00 45.41 H +ATOM 4993 HB ILE A 345 172.156 184.893 200.616 1.00 40.95 H +ATOM 4994 HG12 ILE A 345 170.442 186.588 199.137 1.00 39.37 H +ATOM 4995 HG13 ILE A 345 170.013 185.906 200.502 1.00 39.37 H +ATOM 4996 HG21 ILE A 345 173.336 186.419 199.272 1.00 42.04 H +ATOM 4997 HG22 ILE A 345 173.562 184.939 198.740 1.00 42.04 H +ATOM 4998 HG23 ILE A 345 172.543 185.905 197.995 1.00 42.04 H +ATOM 4999 HD11 ILE A 345 170.580 188.117 200.865 1.00 36.06 H +ATOM 5000 HD12 ILE A 345 171.598 187.170 201.634 1.00 36.06 H +ATOM 5001 HD13 ILE A 345 172.028 187.853 200.266 1.00 36.06 H +ATOM 5002 N GLU A 346 172.859 182.279 199.287 1.00 30.09 N +ATOM 5003 CA GLU A 346 174.057 181.605 198.792 1.00 33.22 C +ATOM 5004 C GLU A 346 173.828 180.153 198.369 1.00 38.14 C +ATOM 5005 O GLU A 346 174.705 179.542 197.757 1.00 42.91 O +ATOM 5006 CB GLU A 346 175.159 181.667 199.852 1.00 23.29 C +ATOM 5007 CG GLU A 346 175.619 183.091 200.147 1.00 26.58 C +ATOM 5008 CD GLU A 346 176.926 183.159 200.920 1.00 35.47 C +ATOM 5009 OE1 GLU A 346 177.575 182.108 201.109 1.00 35.34 O +ATOM 5010 OE2 GLU A 346 177.310 184.272 201.340 1.00 29.67 O +ATOM 5011 H GLU A 346 172.699 182.149 200.121 1.00 36.11 H +ATOM 5012 HA GLU A 346 174.377 182.085 198.012 1.00 39.87 H +ATOM 5013 HB2 GLU A 346 174.825 181.284 200.677 1.00 27.95 H +ATOM 5014 HB3 GLU A 346 175.927 181.164 199.539 1.00 27.95 H +ATOM 5015 HG2 GLU A 346 175.746 183.560 199.307 1.00 31.89 H +ATOM 5016 HG3 GLU A 346 174.938 183.538 200.674 1.00 31.89 H +ATOM 5017 N ASP A 347 172.657 179.604 198.681 1.00 38.39 N +ATOM 5018 CA ASP A 347 172.292 178.257 198.233 1.00 41.14 C +ATOM 5019 C ASP A 347 171.025 178.268 197.387 1.00 38.59 C +ATOM 5020 O ASP A 347 171.015 177.761 196.267 1.00 45.16 O +ATOM 5021 CB ASP A 347 172.099 177.320 199.427 1.00 34.91 C +ATOM 5022 CG ASP A 347 173.392 177.032 200.158 1.00 38.64 C +ATOM 5023 OD1 ASP A 347 174.403 176.722 199.493 1.00 43.37 O +ATOM 5024 OD2 ASP A 347 173.396 177.121 201.401 1.00 40.02 O +ATOM 5025 H ASP A 347 172.051 179.991 199.154 1.00 46.06 H +ATOM 5026 HA ASP A 347 173.011 177.901 197.689 1.00 49.37 H +ATOM 5027 HB2 ASP A 347 171.484 177.731 200.056 1.00 41.89 H +ATOM 5028 HB3 ASP A 347 171.737 176.477 199.113 1.00 41.89 H +ATOM 5029 N TYR A 348 169.960 178.853 197.928 1.00 41.67 N +ATOM 5030 CA TYR A 348 168.647 178.828 197.288 1.00 39.92 C +ATOM 5031 C TYR A 348 168.606 179.701 196.035 1.00 35.67 C +ATOM 5032 O TYR A 348 168.340 179.205 194.945 1.00 29.94 O +ATOM 5033 CB TYR A 348 167.578 179.269 198.292 1.00 41.25 C +ATOM 5034 CG TYR A 348 166.175 179.391 197.750 1.00 35.51 C +ATOM 5035 CD1 TYR A 348 165.367 178.276 197.607 1.00 32.48 C +ATOM 5036 CD2 TYR A 348 165.645 180.630 197.416 1.00 32.96 C +ATOM 5037 CE1 TYR A 348 164.078 178.387 197.130 1.00 28.08 C +ATOM 5038 CE2 TYR A 348 164.356 180.749 196.937 1.00 28.31 C +ATOM 5039 CZ TYR A 348 163.578 179.621 196.798 1.00 28.99 C +ATOM 5040 OH TYR A 348 162.295 179.725 196.324 1.00 30.60 O +ATOM 5041 H TYR A 348 169.972 179.278 198.675 1.00 50.00 H +ATOM 5042 HA TYR A 348 168.446 177.917 197.022 1.00 47.91 H +ATOM 5043 HB2 TYR A 348 167.554 178.624 199.016 1.00 49.50 H +ATOM 5044 HB3 TYR A 348 167.829 180.138 198.643 1.00 49.50 H +ATOM 5045 HD1 TYR A 348 165.701 177.438 197.832 1.00 38.98 H +ATOM 5046 HD2 TYR A 348 166.170 181.392 197.511 1.00 39.55 H +ATOM 5047 HE1 TYR A 348 163.549 177.628 197.034 1.00 33.69 H +ATOM 5048 HE2 TYR A 348 164.016 181.585 196.711 1.00 33.97 H +ATOM 5049 HH TYR A 348 162.113 180.529 196.159 1.00 36.72 H +ATOM 5050 N VAL A 349 168.866 180.997 196.188 1.00 37.99 N +ATOM 5051 CA VAL A 349 168.910 181.897 195.039 1.00 41.24 C +ATOM 5052 C VAL A 349 170.053 181.499 194.106 1.00 41.19 C +ATOM 5053 O VAL A 349 169.924 181.575 192.884 1.00 34.96 O +ATOM 5054 CB VAL A 349 169.082 183.369 195.468 1.00 42.44 C +ATOM 5055 CG1 VAL A 349 169.210 184.283 194.243 1.00 43.80 C +ATOM 5056 CG2 VAL A 349 167.912 183.813 196.331 1.00 32.95 C +ATOM 5057 H VAL A 349 169.020 181.378 196.943 1.00 45.59 H +ATOM 5058 HA VAL A 349 168.078 181.823 194.546 1.00 49.49 H +ATOM 5059 HB VAL A 349 169.894 183.454 195.993 1.00 50.93 H +ATOM 5060 HG11 VAL A 349 169.317 185.199 194.542 1.00 52.56 H +ATOM 5061 HG12 VAL A 349 169.984 184.011 193.725 1.00 52.56 H +ATOM 5062 HG13 VAL A 349 168.407 184.202 193.704 1.00 52.56 H +ATOM 5063 HG21 VAL A 349 168.043 184.739 196.588 1.00 39.54 H +ATOM 5064 HG22 VAL A 349 167.092 183.722 195.821 1.00 39.54 H +ATOM 5065 HG23 VAL A 349 167.874 183.252 197.122 1.00 39.54 H +ATOM 5066 N GLN A 350 171.168 181.080 194.695 1.00 35.80 N +ATOM 5067 CA GLN A 350 172.332 180.638 193.937 1.00 40.57 C +ATOM 5068 C GLN A 350 171.951 179.555 192.933 1.00 40.30 C +ATOM 5069 O GLN A 350 172.278 179.649 191.751 1.00 42.16 O +ATOM 5070 CB GLN A 350 173.418 180.120 194.885 1.00 36.93 C +ATOM 5071 CG GLN A 350 174.719 179.724 194.201 1.00 40.69 C +ATOM 5072 CD GLN A 350 175.428 180.901 193.558 1.00 40.99 C +ATOM 5073 OE1 GLN A 350 175.867 181.826 194.239 1.00 40.71 O +ATOM 5074 NE2 GLN A 350 175.542 180.870 192.238 1.00 41.83 N +ATOM 5075 H GLN A 350 171.276 181.042 195.547 1.00 42.97 H +ATOM 5076 HA GLN A 350 172.696 181.391 193.445 1.00 48.69 H +ATOM 5077 HB2 GLN A 350 173.624 180.816 195.529 1.00 44.32 H +ATOM 5078 HB3 GLN A 350 173.078 179.338 195.347 1.00 44.32 H +ATOM 5079 HG2 GLN A 350 175.317 179.337 194.860 1.00 48.83 H +ATOM 5080 HG3 GLN A 350 174.526 179.074 193.507 1.00 48.83 H +ATOM 5081 HE21 GLN A 350 175.223 180.207 191.794 1.00 50.19 H +ATOM 5082 HE22 GLN A 350 175.936 181.514 191.825 1.00 50.19 H +ATOM 5083 N HIS A 351 171.258 178.528 193.412 1.00 32.59 N +ATOM 5084 CA HIS A 351 170.786 177.455 192.547 1.00 34.15 C +ATOM 5085 C HIS A 351 169.754 177.972 191.560 1.00 35.00 C +ATOM 5086 O HIS A 351 169.800 177.683 190.366 1.00 40.36 O +ATOM 5087 CB HIS A 351 170.165 176.327 193.369 1.00 39.87 C +ATOM 5088 CG HIS A 351 169.383 175.355 192.544 1.00 39.54 C +ATOM 5089 ND1 HIS A 351 169.980 174.374 191.785 1.00 41.60 N +ATOM 5090 CD2 HIS A 351 168.051 175.232 192.337 1.00 34.69 C +ATOM 5091 CE1 HIS A 351 169.050 173.679 191.156 1.00 42.02 C +ATOM 5092 NE2 HIS A 351 167.870 174.179 191.474 1.00 39.99 N +ATOM 5093 H HIS A 351 171.046 178.430 194.240 1.00 39.11 H +ATOM 5094 HA HIS A 351 171.534 177.093 192.047 1.00 40.99 H +ATOM 5095 HB2 HIS A 351 170.874 175.837 193.815 1.00 47.84 H +ATOM 5096 HB3 HIS A 351 169.565 176.711 194.027 1.00 47.84 H +ATOM 5097 HD2 HIS A 351 167.383 175.758 192.714 1.00 41.62 H +ATOM 5098 HE1 HIS A 351 169.200 172.960 190.586 1.00 50.42 H +ATOM 5099 HE2 HIS A 351 167.112 173.892 191.187 1.00 47.99 H +ATOM 5100 N LEU A 352 168.815 178.730 192.103 1.00 38.14 N +ATOM 5101 CA LEU A 352 167.689 179.277 191.367 1.00 35.58 C +ATOM 5102 C LEU A 352 168.134 180.101 190.160 1.00 36.82 C +ATOM 5103 O LEU A 352 167.600 179.951 189.060 1.00 29.76 O +ATOM 5104 CB LEU A 352 166.857 180.118 192.336 1.00 39.82 C +ATOM 5105 CG LEU A 352 165.548 180.777 191.934 1.00 46.03 C +ATOM 5106 CD1 LEU A 352 164.666 180.862 193.165 1.00 43.97 C +ATOM 5107 CD2 LEU A 352 165.803 182.158 191.380 1.00 48.99 C +ATOM 5108 H LEU A 352 168.810 178.951 192.934 1.00 45.77 H +ATOM 5109 HA LEU A 352 167.134 178.548 191.047 1.00 42.69 H +ATOM 5110 HB2 LEU A 352 166.646 179.548 193.092 1.00 47.78 H +ATOM 5111 HB3 LEU A 352 167.430 180.836 192.648 1.00 47.78 H +ATOM 5112 HG LEU A 352 165.100 180.242 191.259 1.00 55.24 H +ATOM 5113 HD11 LEU A 352 163.826 181.281 192.922 1.00 52.77 H +ATOM 5114 HD12 LEU A 352 164.505 179.966 193.500 1.00 52.77 H +ATOM 5115 HD13 LEU A 352 165.118 181.392 193.840 1.00 52.77 H +ATOM 5116 HD21 LEU A 352 164.956 182.559 191.130 1.00 58.79 H +ATOM 5117 HD22 LEU A 352 166.236 182.696 192.061 1.00 58.79 H +ATOM 5118 HD23 LEU A 352 166.377 182.084 190.602 1.00 58.79 H +ATOM 5119 N SER A 353 169.127 180.958 190.372 1.00 41.10 N +ATOM 5120 CA SER A 353 169.612 181.853 189.328 1.00 32.45 C +ATOM 5121 C SER A 353 170.326 181.107 188.208 1.00 35.57 C +ATOM 5122 O SER A 353 170.278 181.519 187.050 1.00 39.20 O +ATOM 5123 CB SER A 353 170.560 182.892 189.926 1.00 32.78 C +ATOM 5124 OG SER A 353 171.751 182.281 190.393 1.00 31.24 O +ATOM 5125 H SER A 353 169.540 181.042 191.121 1.00 49.31 H +ATOM 5126 HA SER A 353 168.858 182.323 188.941 1.00 38.94 H +ATOM 5127 HB2 SER A 353 170.786 183.543 189.244 1.00 39.34 H +ATOM 5128 HB3 SER A 353 170.118 183.330 190.670 1.00 39.34 H +ATOM 5129 HG SER A 353 171.570 181.714 190.985 1.00 37.49 H +ATOM 5130 N GLY A 354 170.997 180.016 188.562 1.00 36.47 N +ATOM 5131 CA GLY A 354 171.839 179.301 187.622 1.00 35.03 C +ATOM 5132 C GLY A 354 173.129 180.052 187.341 1.00 39.41 C +ATOM 5133 O GLY A 354 173.904 179.665 186.468 1.00 45.19 O +ATOM 5134 H GLY A 354 170.979 179.669 189.348 1.00 43.77 H +ATOM 5135 HA2 GLY A 354 172.061 178.428 187.982 1.00 42.03 H +ATOM 5136 HA3 GLY A 354 171.363 179.179 186.785 1.00 42.03 H +ATOM 5137 N TYR A 355 173.357 181.132 188.081 1.00 32.56 N +ATOM 5138 CA TYR A 355 174.535 181.968 187.882 1.00 37.05 C +ATOM 5139 C TYR A 355 175.812 181.223 188.257 1.00 40.60 C +ATOM 5140 O TYR A 355 175.831 180.438 189.204 1.00 40.51 O +ATOM 5141 CB TYR A 355 174.435 183.255 188.712 1.00 38.65 C +ATOM 5142 CG TYR A 355 173.343 184.222 188.294 1.00 37.84 C +ATOM 5143 CD1 TYR A 355 172.676 184.082 187.085 1.00 45.46 C +ATOM 5144 CD2 TYR A 355 172.989 185.287 189.113 1.00 33.34 C +ATOM 5145 CE1 TYR A 355 171.686 184.970 186.708 1.00 47.66 C +ATOM 5146 CE2 TYR A 355 172.001 186.177 188.744 1.00 30.40 C +ATOM 5147 CZ TYR A 355 171.353 186.015 187.542 1.00 38.32 C +ATOM 5148 OH TYR A 355 170.368 186.901 187.171 1.00 43.35 O +ATOM 5149 H TYR A 355 172.840 181.404 188.712 1.00 39.07 H +ATOM 5150 HA TYR A 355 174.594 182.215 186.946 1.00 44.46 H +ATOM 5151 HB2 TYR A 355 174.269 183.011 189.636 1.00 46.38 H +ATOM 5152 HB3 TYR A 355 175.280 183.726 188.648 1.00 46.38 H +ATOM 5153 HD1 TYR A 355 172.898 183.377 186.519 1.00 54.56 H +ATOM 5154 HD2 TYR A 355 173.424 185.401 189.927 1.00 40.01 H +ATOM 5155 HE1 TYR A 355 171.246 184.862 185.895 1.00 57.19 H +ATOM 5156 HE2 TYR A 355 171.775 186.884 189.305 1.00 36.48 H +ATOM 5157 HH TYR A 355 170.058 186.688 186.420 1.00 52.02 H +ATOM 5158 N HIS A 356 176.875 181.473 187.501 1.00 41.67 N +ATOM 5159 CA HIS A 356 178.194 180.951 187.834 1.00 42.47 C +ATOM 5160 C HIS A 356 178.851 181.853 188.871 1.00 35.44 C +ATOM 5161 O HIS A 356 179.671 181.404 189.669 1.00 35.17 O +ATOM 5162 CB HIS A 356 179.072 180.849 186.588 1.00 46.61 C +ATOM 5163 CG HIS A 356 178.654 179.769 185.640 1.00 45.85 C +ATOM 5164 ND1 HIS A 356 178.143 178.561 186.064 1.00 46.64 N +ATOM 5165 CD2 HIS A 356 178.669 179.717 184.288 1.00 47.55 C +ATOM 5166 CE1 HIS A 356 177.864 177.811 185.014 1.00 53.11 C +ATOM 5167 NE2 HIS A 356 178.173 178.489 183.924 1.00 63.70 N +ATOM 5168 H HIS A 356 176.858 181.948 186.784 1.00 50.00 H +ATOM 5169 HA HIS A 356 178.101 180.064 188.215 1.00 50.96 H +ATOM 5170 HB2 HIS A 356 179.036 181.692 186.110 1.00 55.94 H +ATOM 5171 HB3 HIS A 356 179.984 180.666 186.862 1.00 55.94 H +ATOM 5172 HD2 HIS A 356 178.962 180.387 183.713 1.00 57.06 H +ATOM 5173 HE1 HIS A 356 177.508 176.952 185.037 1.00 63.73 H +ATOM 5174 HE2 HIS A 356 178.080 178.207 183.116 1.00 76.44 H +ATOM 5175 N PHE A 357 178.486 183.131 188.845 1.00 39.90 N +ATOM 5176 CA PHE A 357 178.927 184.074 189.862 1.00 41.27 C +ATOM 5177 C PHE A 357 178.383 183.649 191.220 1.00 42.17 C +ATOM 5178 O PHE A 357 177.211 183.300 191.347 1.00 35.86 O +ATOM 5179 CB PHE A 357 178.471 185.493 189.522 1.00 33.58 C +ATOM 5180 CG PHE A 357 178.711 186.485 190.623 1.00 47.29 C +ATOM 5181 CD1 PHE A 357 179.989 186.938 190.899 1.00 43.84 C +ATOM 5182 CD2 PHE A 357 177.656 186.969 191.379 1.00 51.86 C +ATOM 5183 CE1 PHE A 357 180.211 187.850 191.910 1.00 54.47 C +ATOM 5184 CE2 PHE A 357 177.872 187.883 192.393 1.00 47.33 C +ATOM 5185 CZ PHE A 357 179.150 188.324 192.659 1.00 51.91 C +ATOM 5186 H PHE A 357 177.979 183.477 188.242 1.00 47.88 H +ATOM 5187 HA PHE A 357 179.896 184.068 189.906 1.00 49.53 H +ATOM 5188 HB2 PHE A 357 178.955 185.797 188.738 1.00 40.30 H +ATOM 5189 HB3 PHE A 357 177.519 185.480 189.336 1.00 40.30 H +ATOM 5190 HD1 PHE A 357 180.707 186.622 190.399 1.00 52.60 H +ATOM 5191 HD2 PHE A 357 176.791 186.674 191.204 1.00 62.24 H +ATOM 5192 HE1 PHE A 357 181.075 188.147 192.088 1.00 65.36 H +ATOM 5193 HE2 PHE A 357 177.157 188.200 192.895 1.00 56.79 H +ATOM 5194 HZ PHE A 357 179.298 188.939 193.340 1.00 62.29 H +ATOM 5195 N LYS A 358 179.248 183.678 192.227 1.00 41.96 N +ATOM 5196 CA LYS A 358 178.910 183.182 193.555 1.00 42.45 C +ATOM 5197 C LYS A 358 178.309 184.292 194.416 1.00 46.46 C +ATOM 5198 O LYS A 358 179.030 185.139 194.946 1.00 41.24 O +ATOM 5199 CB LYS A 358 180.158 182.596 194.220 1.00 36.80 C +ATOM 5200 CG LYS A 358 179.889 181.762 195.456 1.00 49.96 C +ATOM 5201 CD LYS A 358 181.183 181.172 195.996 1.00 60.71 C +ATOM 5202 CE LYS A 358 181.015 180.639 197.409 1.00 69.82 C +ATOM 5203 NZ LYS A 358 182.300 180.134 197.969 1.00 74.30 N +ATOM 5204 H LYS A 358 180.048 183.986 192.166 1.00 50.35 H +ATOM 5205 HA LYS A 358 178.252 182.474 193.472 1.00 50.94 H +ATOM 5206 HB2 LYS A 358 180.614 182.030 193.578 1.00 44.16 H +ATOM 5207 HB3 LYS A 358 180.741 183.327 194.481 1.00 44.16 H +ATOM 5208 HG2 LYS A 358 179.496 182.321 196.144 1.00 59.95 H +ATOM 5209 HG3 LYS A 358 179.291 181.033 195.229 1.00 59.95 H +ATOM 5210 HD2 LYS A 358 181.461 180.438 195.427 1.00 72.85 H +ATOM 5211 HD3 LYS A 358 181.866 181.861 196.012 1.00 72.85 H +ATOM 5212 HE2 LYS A 358 180.695 181.352 197.983 1.00 83.79 H +ATOM 5213 HE3 LYS A 358 180.380 179.906 197.400 1.00 83.79 H +ATOM 5214 HZ1 LYS A 358 182.173 179.828 198.795 1.00 89.15 H +ATOM 5215 HZ2 LYS A 358 182.614 179.473 197.462 1.00 89.15 H +ATOM 5216 HZ3 LYS A 358 182.900 180.790 197.993 1.00 89.15 H +ATOM 5217 N LEU A 359 176.984 184.284 194.540 1.00 39.24 N +ATOM 5218 CA LEU A 359 176.275 185.289 195.327 1.00 34.55 C +ATOM 5219 C LEU A 359 176.756 185.270 196.773 1.00 30.11 C +ATOM 5220 O LEU A 359 177.197 184.238 197.275 1.00 30.53 O +ATOM 5221 CB LEU A 359 174.765 185.056 195.269 1.00 30.94 C +ATOM 5222 CG LEU A 359 174.125 185.121 193.880 1.00 32.40 C +ATOM 5223 CD1 LEU A 359 172.676 184.675 193.947 1.00 35.93 C +ATOM 5224 CD2 LEU A 359 174.224 186.521 193.292 1.00 28.41 C +ATOM 5225 H LEU A 359 176.468 183.701 194.175 1.00 47.09 H +ATOM 5226 HA LEU A 359 176.460 186.167 194.959 1.00 41.47 H +ATOM 5227 HB2 LEU A 359 174.579 184.176 195.631 1.00 37.13 H +ATOM 5228 HB3 LEU A 359 174.332 185.729 195.817 1.00 37.13 H +ATOM 5229 HG LEU A 359 174.597 184.515 193.288 1.00 38.88 H +ATOM 5230 HD11 LEU A 359 172.290 184.723 193.059 1.00 43.12 H +ATOM 5231 HD12 LEU A 359 172.642 183.762 194.274 1.00 43.12 H +ATOM 5232 HD13 LEU A 359 172.193 185.261 194.551 1.00 43.12 H +ATOM 5233 HD21 LEU A 359 173.809 186.525 192.415 1.00 34.09 H +ATOM 5234 HD22 LEU A 359 173.764 187.142 193.878 1.00 34.09 H +ATOM 5235 HD23 LEU A 359 175.159 186.767 193.218 1.00 34.09 H +ATOM 5236 N LYS A 360 176.664 186.421 197.432 1.00 29.97 N +ATOM 5237 CA LYS A 360 177.217 186.596 198.769 1.00 40.22 C +ATOM 5238 C LYS A 360 176.238 187.309 199.695 1.00 39.72 C +ATOM 5239 O LYS A 360 175.663 188.334 199.332 1.00 33.46 O +ATOM 5240 CB LYS A 360 178.524 187.391 198.695 1.00 40.12 C +ATOM 5241 CG LYS A 360 179.308 187.434 199.998 1.00 36.10 C +ATOM 5242 CD LYS A 360 180.497 188.378 199.896 1.00 34.02 C +ATOM 5243 CE LYS A 360 181.441 188.228 201.078 1.00 32.41 C +ATOM 5244 NZ LYS A 360 182.267 189.450 201.298 1.00 31.47 N +ATOM 5245 H LYS A 360 176.281 187.125 197.120 1.00 35.96 H +ATOM 5246 HA LYS A 360 177.413 185.726 199.149 1.00 48.26 H +ATOM 5247 HB2 LYS A 360 179.094 186.989 198.022 1.00 48.15 H +ATOM 5248 HB3 LYS A 360 178.318 188.305 198.445 1.00 48.15 H +ATOM 5249 HG2 LYS A 360 178.730 187.748 200.711 1.00 43.32 H +ATOM 5250 HG3 LYS A 360 179.641 186.546 200.202 1.00 43.32 H +ATOM 5251 HD2 LYS A 360 180.992 188.181 199.086 1.00 40.82 H +ATOM 5252 HD3 LYS A 360 180.176 189.293 199.879 1.00 40.82 H +ATOM 5253 HE2 LYS A 360 180.922 188.066 201.881 1.00 38.90 H +ATOM 5254 HE3 LYS A 360 182.041 187.484 200.913 1.00 38.90 H +ATOM 5255 HZ1 LYS A 360 182.808 189.330 201.995 1.00 37.77 H +ATOM 5256 HZ2 LYS A 360 182.759 189.618 200.576 1.00 37.77 H +ATOM 5257 HZ3 LYS A 360 181.739 190.148 201.458 1.00 37.77 H +ATOM 5258 N PHE A 361 176.051 186.758 200.890 1.00 38.29 N +ATOM 5259 CA PHE A 361 175.342 187.466 201.944 1.00 39.51 C +ATOM 5260 C PHE A 361 176.353 188.250 202.761 1.00 30.46 C +ATOM 5261 O PHE A 361 177.138 187.674 203.512 1.00 27.90 O +ATOM 5262 CB PHE A 361 174.553 186.511 202.843 1.00 43.86 C +ATOM 5263 CG PHE A 361 173.889 187.194 204.007 1.00 34.84 C +ATOM 5264 CD1 PHE A 361 173.163 188.359 203.817 1.00 34.36 C +ATOM 5265 CD2 PHE A 361 173.990 186.678 205.286 1.00 33.35 C +ATOM 5266 CE1 PHE A 361 172.556 188.993 204.881 1.00 32.32 C +ATOM 5267 CE2 PHE A 361 173.383 187.308 206.350 1.00 31.82 C +ATOM 5268 CZ PHE A 361 172.665 188.465 206.148 1.00 31.35 C +ATOM 5269 H PHE A 361 176.326 185.975 201.114 1.00 45.95 H +ATOM 5270 HA PHE A 361 174.719 188.094 201.545 1.00 47.41 H +ATOM 5271 HB2 PHE A 361 173.861 186.083 202.316 1.00 52.63 H +ATOM 5272 HB3 PHE A 361 175.159 185.841 203.198 1.00 52.63 H +ATOM 5273 HD1 PHE A 361 173.087 188.720 202.963 1.00 41.24 H +ATOM 5274 HD2 PHE A 361 174.474 185.897 205.429 1.00 40.01 H +ATOM 5275 HE1 PHE A 361 172.070 189.774 204.742 1.00 38.78 H +ATOM 5276 HE2 PHE A 361 173.458 186.950 207.205 1.00 38.18 H +ATOM 5277 HZ PHE A 361 172.255 188.890 206.866 1.00 37.62 H +ATOM 5278 N ASP A 362 176.337 189.568 202.599 1.00 34.18 N +ATOM 5279 CA ASP A 362 177.278 190.433 203.290 1.00 38.30 C +ATOM 5280 C ASP A 362 176.705 191.840 203.434 1.00 35.07 C +ATOM 5281 O ASP A 362 176.873 192.673 202.548 1.00 34.18 O +ATOM 5282 CB ASP A 362 178.610 190.473 202.543 1.00 38.19 C +ATOM 5283 CG ASP A 362 179.671 191.265 203.284 1.00 36.84 C +ATOM 5284 OD1 ASP A 362 179.449 191.613 204.465 1.00 29.92 O +ATOM 5285 OD2 ASP A 362 180.734 191.534 202.688 1.00 39.84 O +ATOM 5286 H ASP A 362 175.785 189.987 202.090 1.00 41.02 H +ATOM 5287 HA ASP A 362 177.440 190.080 204.179 1.00 45.96 H +ATOM 5288 HB2 ASP A 362 178.937 189.567 202.430 1.00 45.83 H +ATOM 5289 HB3 ASP A 362 178.475 190.888 201.677 1.00 45.83 H +ATOM 5290 N PRO A 363 176.013 192.107 204.554 1.00 34.51 N +ATOM 5291 CA PRO A 363 175.416 193.422 204.809 1.00 36.04 C +ATOM 5292 C PRO A 363 176.390 194.591 204.676 1.00 29.57 C +ATOM 5293 O PRO A 363 175.960 195.707 204.387 1.00 30.45 O +ATOM 5294 CB PRO A 363 174.920 193.291 206.249 1.00 34.37 C +ATOM 5295 CG PRO A 363 174.574 191.865 206.375 1.00 30.58 C +ATOM 5296 CD PRO A 363 175.608 191.126 205.578 1.00 36.98 C +ATOM 5297 HA PRO A 363 174.658 193.567 204.221 1.00 43.24 H +ATOM 5298 HB2 PRO A 363 175.629 193.532 206.865 1.00 41.25 H +ATOM 5299 HB3 PRO A 363 174.139 193.851 206.382 1.00 41.25 H +ATOM 5300 HG2 PRO A 363 174.610 191.602 207.309 1.00 36.69 H +ATOM 5301 HG3 PRO A 363 173.688 191.711 206.011 1.00 36.69 H +ATOM 5302 HD2 PRO A 363 176.364 190.892 206.139 1.00 44.37 H +ATOM 5303 HD3 PRO A 363 175.218 190.342 205.160 1.00 44.37 H +ATOM 5304 N GLU A 364 177.678 194.340 204.872 1.00 34.63 N +ATOM 5305 CA GLU A 364 178.681 195.399 204.793 1.00 35.87 C +ATOM 5306 C GLU A 364 178.750 196.015 203.396 1.00 33.13 C +ATOM 5307 O GLU A 364 179.195 197.149 203.234 1.00 33.12 O +ATOM 5308 CB GLU A 364 180.051 194.859 205.200 1.00 37.14 C +ATOM 5309 CG GLU A 364 180.127 194.434 206.657 1.00 52.80 C +ATOM 5310 CD GLU A 364 181.455 193.806 207.021 1.00 62.23 C +ATOM 5311 OE1 GLU A 364 182.445 194.036 206.295 1.00 64.62 O +ATOM 5312 OE2 GLU A 364 181.506 193.078 208.035 1.00 62.71 O +ATOM 5313 H GLU A 364 178.000 193.564 205.054 1.00 41.55 H +ATOM 5314 HA GLU A 364 178.442 196.103 205.416 1.00 43.04 H +ATOM 5315 HB2 GLU A 364 180.258 194.084 204.653 1.00 44.57 H +ATOM 5316 HB3 GLU A 364 180.716 195.550 205.056 1.00 44.57 H +ATOM 5317 HG2 GLU A 364 180.001 195.214 207.220 1.00 63.37 H +ATOM 5318 HG3 GLU A 364 179.429 193.783 206.833 1.00 63.37 H +ATOM 5319 N LEU A 365 178.297 195.269 202.394 1.00 26.94 N +ATOM 5320 CA LEU A 365 178.304 195.747 201.017 1.00 30.31 C +ATOM 5321 C LEU A 365 177.436 196.989 200.818 1.00 32.28 C +ATOM 5322 O LEU A 365 177.662 197.762 199.891 1.00 41.35 O +ATOM 5323 CB LEU A 365 177.826 194.639 200.075 1.00 40.39 C +ATOM 5324 CG LEU A 365 178.645 193.345 200.053 1.00 36.21 C +ATOM 5325 CD1 LEU A 365 177.950 192.300 199.195 1.00 35.07 C +ATOM 5326 CD2 LEU A 365 180.055 193.593 199.553 1.00 33.47 C +ATOM 5327 H LEU A 365 177.978 194.476 202.486 1.00 32.33 H +ATOM 5328 HA LEU A 365 179.214 195.976 200.770 1.00 36.37 H +ATOM 5329 HB2 LEU A 365 176.920 194.400 200.326 1.00 48.47 H +ATOM 5330 HB3 LEU A 365 177.824 194.992 199.171 1.00 48.47 H +ATOM 5331 HG LEU A 365 178.706 192.997 200.956 1.00 43.45 H +ATOM 5332 HD11 LEU A 365 178.482 191.489 199.193 1.00 42.08 H +ATOM 5333 HD12 LEU A 365 177.072 192.120 199.568 1.00 42.08 H +ATOM 5334 HD13 LEU A 365 177.862 192.641 198.292 1.00 42.08 H +ATOM 5335 HD21 LEU A 365 180.541 192.753 199.554 1.00 40.16 H +ATOM 5336 HD22 LEU A 365 180.012 193.950 198.653 1.00 40.16 H +ATOM 5337 HD23 LEU A 365 180.491 194.228 200.142 1.00 40.16 H +ATOM 5338 N LEU A 366 176.448 197.179 201.688 1.00 33.85 N +ATOM 5339 CA LEU A 366 175.481 198.263 201.530 1.00 33.06 C +ATOM 5340 C LEU A 366 175.696 199.434 202.490 1.00 27.89 C +ATOM 5341 O LEU A 366 174.952 200.409 202.453 1.00 31.29 O +ATOM 5342 CB LEU A 366 174.063 197.720 201.713 1.00 37.05 C +ATOM 5343 CG LEU A 366 173.535 196.778 200.630 1.00 34.88 C +ATOM 5344 CD1 LEU A 366 172.232 196.137 201.085 1.00 37.14 C +ATOM 5345 CD2 LEU A 366 173.331 197.524 199.320 1.00 28.56 C +ATOM 5346 H LEU A 366 176.315 196.691 202.384 1.00 40.62 H +ATOM 5347 HA LEU A 366 175.549 198.608 200.627 1.00 39.68 H +ATOM 5348 HB2 LEU A 366 174.032 197.235 202.553 1.00 44.45 H +ATOM 5349 HB3 LEU A 366 173.455 198.474 201.757 1.00 44.45 H +ATOM 5350 HG LEU A 366 174.183 196.072 200.478 1.00 41.85 H +ATOM 5351 HD11 LEU A 366 171.911 195.544 200.388 1.00 44.57 H +ATOM 5352 HD12 LEU A 366 172.395 195.635 201.899 1.00 44.57 H +ATOM 5353 HD13 LEU A 366 171.579 196.835 201.253 1.00 44.57 H +ATOM 5354 HD21 LEU A 366 172.997 196.904 198.653 1.00 34.28 H +ATOM 5355 HD22 LEU A 366 172.689 198.237 199.461 1.00 34.28 H +ATOM 5356 HD23 LEU A 366 174.180 197.894 199.032 1.00 34.28 H +ATOM 5357 N PHE A 367 176.712 199.355 203.341 1.00 31.87 N +ATOM 5358 CA PHE A 367 176.917 200.379 204.365 1.00 33.33 C +ATOM 5359 C PHE A 367 177.335 201.735 203.795 1.00 33.60 C +ATOM 5360 O PHE A 367 177.126 202.765 204.434 1.00 42.85 O +ATOM 5361 CB PHE A 367 177.958 199.913 205.385 1.00 28.72 C +ATOM 5362 CG PHE A 367 177.476 198.814 206.303 1.00 34.95 C +ATOM 5363 CD1 PHE A 367 176.140 198.443 206.340 1.00 29.38 C +ATOM 5364 CD2 PHE A 367 178.366 198.159 207.138 1.00 30.22 C +ATOM 5365 CE1 PHE A 367 175.709 197.443 207.179 1.00 31.41 C +ATOM 5366 CE2 PHE A 367 177.935 197.157 207.981 1.00 35.47 C +ATOM 5367 CZ PHE A 367 176.605 196.799 208.003 1.00 31.51 C +ATOM 5368 H PHE A 367 177.296 198.723 203.348 1.00 38.24 H +ATOM 5369 HA PHE A 367 176.081 200.508 204.840 1.00 39.99 H +ATOM 5370 HB2 PHE A 367 178.734 199.579 204.908 1.00 34.47 H +ATOM 5371 HB3 PHE A 367 178.213 200.668 205.937 1.00 34.47 H +ATOM 5372 HD1 PHE A 367 175.529 198.873 205.786 1.00 35.25 H +ATOM 5373 HD2 PHE A 367 179.265 198.396 207.128 1.00 36.26 H +ATOM 5374 HE1 PHE A 367 174.810 197.203 207.193 1.00 37.69 H +ATOM 5375 HE2 PHE A 367 178.542 196.723 208.536 1.00 42.57 H +ATOM 5376 HZ PHE A 367 176.313 196.123 208.571 1.00 37.82 H +ATOM 5377 N ASN A 368 177.919 201.739 202.600 1.00 46.91 N +ATOM 5378 CA ASN A 368 178.280 202.985 201.924 1.00 57.66 C +ATOM 5379 C ASN A 368 177.265 203.370 200.851 1.00 44.82 C +ATOM 5380 O ASN A 368 177.467 204.332 200.113 1.00 55.85 O +ATOM 5381 CB ASN A 368 179.673 202.871 201.296 1.00 66.21 C +ATOM 5382 CG ASN A 368 180.789 203.107 202.294 1.00 93.15 C +ATOM 5383 OD1 ASN A 368 180.564 203.134 203.505 1.00 68.05 O +ATOM 5384 ND2 ASN A 368 182.003 203.280 201.787 1.00102.04 N +ATOM 5385 H ASN A 368 178.118 201.030 202.156 1.00 56.29 H +ATOM 5386 HA ASN A 368 178.306 203.700 202.579 1.00 69.19 H +ATOM 5387 HB2 ASN A 368 179.782 201.979 200.930 1.00 79.45 H +ATOM 5388 HB3 ASN A 368 179.756 203.532 200.591 1.00 79.45 H +ATOM 5389 HD21 ASN A 368 182.672 203.418 202.310 1.00122.45 H +ATOM 5390 HD22 ASN A 368 182.121 203.255 200.935 1.00122.45 H +ATOM 5391 N LYS A 369 176.172 202.618 200.770 1.00 45.06 N +ATOM 5392 CA LYS A 369 175.165 202.829 199.738 1.00 47.54 C +ATOM 5393 C LYS A 369 173.876 203.390 200.320 1.00 37.52 C +ATOM 5394 O LYS A 369 173.643 203.320 201.524 1.00 39.20 O +ATOM 5395 CB LYS A 369 174.864 201.517 199.010 1.00 44.26 C +ATOM 5396 CG LYS A 369 176.092 200.801 198.480 1.00 42.82 C +ATOM 5397 CD LYS A 369 176.810 201.628 197.432 1.00 47.54 C +ATOM 5398 CE LYS A 369 178.032 200.905 196.899 1.00 51.29 C +ATOM 5399 NZ LYS A 369 178.765 201.729 195.902 1.00 60.77 N +ATOM 5400 H LYS A 369 175.990 201.972 201.307 1.00 54.07 H +ATOM 5401 HA LYS A 369 175.504 203.464 199.088 1.00 57.05 H +ATOM 5402 HB2 LYS A 369 174.415 200.916 199.626 1.00 53.12 H +ATOM 5403 HB3 LYS A 369 174.284 201.706 198.256 1.00 53.12 H +ATOM 5404 HG2 LYS A 369 176.707 200.637 199.211 1.00 51.39 H +ATOM 5405 HG3 LYS A 369 175.822 199.963 198.073 1.00 51.39 H +ATOM 5406 HD2 LYS A 369 176.209 201.797 196.690 1.00 57.05 H +ATOM 5407 HD3 LYS A 369 177.100 202.465 197.828 1.00 57.05 H +ATOM 5408 HE2 LYS A 369 178.635 200.712 197.634 1.00 61.55 H +ATOM 5409 HE3 LYS A 369 177.754 200.083 196.467 1.00 61.55 H +ATOM 5410 HZ1 LYS A 369 179.476 201.285 195.604 1.00 72.93 H +ATOM 5411 HZ2 LYS A 369 178.233 201.917 195.213 1.00 72.93 H +ATOM 5412 HZ3 LYS A 369 179.035 202.490 196.275 1.00 72.93 H +ATOM 5413 N GLN A 370 173.043 203.955 199.455 1.00 42.25 N +ATOM 5414 CA GLN A 370 171.683 204.304 199.832 1.00 42.39 C +ATOM 5415 C GLN A 370 170.847 203.038 199.824 1.00 42.13 C +ATOM 5416 O GLN A 370 170.889 202.262 198.870 1.00 43.19 O +ATOM 5417 CB GLN A 370 171.093 205.342 198.883 1.00 34.87 C +ATOM 5418 CG GLN A 370 171.646 206.743 199.071 1.00 38.85 C +ATOM 5419 CD GLN A 370 171.139 207.708 198.019 1.00 42.47 C +ATOM 5420 OE1 GLN A 370 171.234 207.443 196.821 1.00 62.95 O +ATOM 5421 NE2 GLN A 370 170.585 208.830 198.462 1.00 47.12 N +ATOM 5422 H GLN A 370 173.243 204.147 198.641 1.00 50.70 H +ATOM 5423 HA GLN A 370 171.679 204.670 200.730 1.00 50.86 H +ATOM 5424 HB2 GLN A 370 171.280 205.072 197.970 1.00 41.85 H +ATOM 5425 HB3 GLN A 370 170.134 205.383 199.022 1.00 41.85 H +ATOM 5426 HG2 GLN A 370 171.377 207.076 199.941 1.00 46.62 H +ATOM 5427 HG3 GLN A 370 172.614 206.713 199.011 1.00 46.62 H +ATOM 5428 HE21 GLN A 370 170.529 208.978 199.307 1.00 56.55 H +ATOM 5429 HE22 GLN A 370 170.282 209.410 197.903 1.00 56.55 H +ATOM 5430 N PHE A 371 170.089 202.831 200.892 1.00 42.23 N +ATOM 5431 CA PHE A 371 169.305 201.617 201.050 1.00 34.10 C +ATOM 5432 C PHE A 371 168.405 201.765 202.266 1.00 25.13 C +ATOM 5433 O PHE A 371 168.829 202.287 203.290 1.00 29.09 O +ATOM 5434 CB PHE A 371 170.223 200.400 201.198 1.00 31.84 C +ATOM 5435 CG PHE A 371 169.509 199.085 201.134 1.00 28.86 C +ATOM 5436 CD1 PHE A 371 169.292 198.462 199.919 1.00 32.98 C +ATOM 5437 CD2 PHE A 371 169.072 198.462 202.286 1.00 32.47 C +ATOM 5438 CE1 PHE A 371 168.642 197.249 199.858 1.00 37.56 C +ATOM 5439 CE2 PHE A 371 168.422 197.248 202.228 1.00 27.54 C +ATOM 5440 CZ PHE A 371 168.207 196.642 201.015 1.00 28.89 C +ATOM 5441 H PHE A 371 170.012 203.384 201.546 1.00 50.67 H +ATOM 5442 HA PHE A 371 168.747 201.488 200.267 1.00 40.92 H +ATOM 5443 HB2 PHE A 371 170.879 200.415 200.484 1.00 38.20 H +ATOM 5444 HB3 PHE A 371 170.672 200.450 202.057 1.00 38.20 H +ATOM 5445 HD1 PHE A 371 169.583 198.868 199.135 1.00 39.57 H +ATOM 5446 HD2 PHE A 371 169.215 198.868 203.111 1.00 38.97 H +ATOM 5447 HE1 PHE A 371 168.497 196.840 199.035 1.00 45.08 H +ATOM 5448 HE2 PHE A 371 168.129 196.839 203.010 1.00 33.05 H +ATOM 5449 HZ PHE A 371 167.768 195.823 200.974 1.00 34.67 H +ATOM 5450 N GLN A 372 167.161 201.314 202.144 1.00 30.63 N +ATOM 5451 CA GLN A 372 166.211 201.361 203.250 1.00 29.75 C +ATOM 5452 C GLN A 372 166.108 200.000 203.930 1.00 23.34 C +ATOM 5453 O GLN A 372 165.780 199.001 203.292 1.00 19.20 O +ATOM 5454 CB GLN A 372 164.833 201.805 202.759 1.00 23.33 C +ATOM 5455 CG GLN A 372 164.836 203.124 202.023 1.00 17.76 C +ATOM 5456 CD GLN A 372 165.220 204.287 202.906 1.00 26.91 C +ATOM 5457 OE1 GLN A 372 164.649 204.485 203.977 1.00 28.84 O +ATOM 5458 NE2 GLN A 372 166.195 205.064 202.464 1.00 27.97 N +ATOM 5459 H GLN A 372 166.839 200.973 201.424 1.00 36.76 H +ATOM 5460 HA GLN A 372 166.519 202.005 203.907 1.00 35.70 H +ATOM 5461 HB2 GLN A 372 164.485 201.130 202.156 1.00 28.00 H +ATOM 5462 HB3 GLN A 372 164.244 201.896 203.525 1.00 28.00 H +ATOM 5463 HG2 GLN A 372 165.475 203.077 201.294 1.00 21.31 H +ATOM 5464 HG3 GLN A 372 163.947 203.293 201.673 1.00 21.31 H +ATOM 5465 HE21 GLN A 372 166.572 204.893 201.710 1.00 33.57 H +ATOM 5466 HE22 GLN A 372 166.451 205.740 202.930 1.00 33.57 H +ATOM 5467 N TYR A 373 166.394 199.970 205.227 1.00 21.40 N +ATOM 5468 CA TYR A 373 166.273 198.744 206.003 1.00 25.98 C +ATOM 5469 C TYR A 373 164.846 198.595 206.508 1.00 25.79 C +ATOM 5470 O TYR A 373 164.556 198.773 207.691 1.00 22.56 O +ATOM 5471 CB TYR A 373 167.280 198.735 207.151 1.00 22.86 C +ATOM 5472 CG TYR A 373 168.698 198.709 206.644 1.00 19.79 C +ATOM 5473 CD1 TYR A 373 169.215 197.568 206.051 1.00 24.24 C +ATOM 5474 CD2 TYR A 373 169.507 199.830 206.724 1.00 21.65 C +ATOM 5475 CE1 TYR A 373 170.503 197.539 205.568 1.00 26.46 C +ATOM 5476 CE2 TYR A 373 170.797 199.811 206.245 1.00 28.54 C +ATOM 5477 CZ TYR A 373 171.292 198.664 205.668 1.00 27.68 C +ATOM 5478 OH TYR A 373 172.579 198.642 205.190 1.00 23.67 O +ATOM 5479 H TYR A 373 166.661 200.649 205.682 1.00 25.68 H +ATOM 5480 HA TYR A 373 166.468 197.986 205.429 1.00 31.17 H +ATOM 5481 HB2 TYR A 373 167.163 199.537 207.685 1.00 27.43 H +ATOM 5482 HB3 TYR A 373 167.138 197.946 207.696 1.00 27.43 H +ATOM 5483 HD1 TYR A 373 168.684 196.807 205.983 1.00 29.09 H +ATOM 5484 HD2 TYR A 373 169.176 200.607 207.113 1.00 25.98 H +ATOM 5485 HE1 TYR A 373 170.839 196.765 205.179 1.00 31.76 H +ATOM 5486 HE2 TYR A 373 171.332 200.569 206.311 1.00 34.25 H +ATOM 5487 HH TYR A 373 172.753 197.886 204.867 1.00 28.41 H +ATOM 5488 N GLN A 374 163.964 198.279 205.567 1.00 28.08 N +ATOM 5489 CA GLN A 374 162.562 198.019 205.842 1.00 26.70 C +ATOM 5490 C GLN A 374 161.956 197.330 204.628 1.00 25.64 C +ATOM 5491 O GLN A 374 162.500 197.418 203.531 1.00 25.73 O +ATOM 5492 CB GLN A 374 161.810 199.313 206.163 1.00 24.90 C +ATOM 5493 CG GLN A 374 161.918 200.390 205.106 1.00 29.79 C +ATOM 5494 CD GLN A 374 161.023 201.579 205.404 1.00 28.78 C +ATOM 5495 OE1 GLN A 374 159.799 201.462 205.398 1.00 40.06 O +ATOM 5496 NE2 GLN A 374 161.630 202.729 205.671 1.00 33.00 N +ATOM 5497 H GLN A 374 164.164 198.208 204.733 1.00 33.69 H +ATOM 5498 HA GLN A 374 162.487 197.423 206.604 1.00 32.04 H +ATOM 5499 HB2 GLN A 374 160.870 199.105 206.274 1.00 29.88 H +ATOM 5500 HB3 GLN A 374 162.163 199.678 206.990 1.00 29.88 H +ATOM 5501 HG2 GLN A 374 162.835 200.705 205.066 1.00 35.75 H +ATOM 5502 HG3 GLN A 374 161.655 200.021 204.249 1.00 35.75 H +ATOM 5503 HE21 GLN A 374 162.489 202.772 205.669 1.00 39.60 H +ATOM 5504 HE22 GLN A 374 161.165 203.430 205.845 1.00 39.60 H +ATOM 5505 N ASN A 375 160.844 196.635 204.827 1.00 24.72 N +ATOM 5506 CA ASN A 375 160.192 195.928 203.734 1.00 22.79 C +ATOM 5507 C ASN A 375 158.688 195.822 203.938 1.00 20.49 C +ATOM 5508 O ASN A 375 158.194 195.891 205.058 1.00 25.53 O +ATOM 5509 CB ASN A 375 160.789 194.528 203.575 1.00 21.59 C +ATOM 5510 CG ASN A 375 160.394 193.872 202.265 1.00 24.22 C +ATOM 5511 OD1 ASN A 375 160.473 194.487 201.202 1.00 25.38 O +ATOM 5512 ND2 ASN A 375 159.949 192.624 202.337 1.00 16.23 N +ATOM 5513 H ASN A 375 160.447 196.557 205.585 1.00 29.66 H +ATOM 5514 HA ASN A 375 160.348 196.414 202.910 1.00 27.35 H +ATOM 5515 HB2 ASN A 375 161.757 194.592 203.599 1.00 25.90 H +ATOM 5516 HB3 ASN A 375 160.475 193.965 204.300 1.00 25.90 H +ATOM 5517 HD21 ASN A 375 159.713 192.210 201.621 1.00 19.47 H +ATOM 5518 HD22 ASN A 375 159.897 192.229 203.099 1.00 19.47 H +ATOM 5519 N ARG A 376 157.978 195.667 202.829 1.00 24.61 N +ATOM 5520 CA ARG A 376 156.539 195.458 202.828 1.00 20.68 C +ATOM 5521 C ARG A 376 156.225 194.471 201.710 1.00 19.47 C +ATOM 5522 O ARG A 376 156.577 194.703 200.555 1.00 23.00 O +ATOM 5523 CB ARG A 376 155.792 196.780 202.629 1.00 21.09 C +ATOM 5524 CG ARG A 376 154.296 196.714 202.915 1.00 22.08 C +ATOM 5525 CD ARG A 376 153.995 196.711 204.408 1.00 24.85 C +ATOM 5526 NE ARG A 376 154.441 197.938 205.063 1.00 26.76 N +ATOM 5527 CZ ARG A 376 153.742 199.067 205.118 1.00 23.84 C +ATOM 5528 NH1 ARG A 376 152.543 199.148 204.554 1.00 23.63 N +ATOM 5529 NH2 ARG A 376 154.247 200.124 205.738 1.00 26.23 N +ATOM 5530 H ARG A 376 158.319 195.679 202.040 1.00 29.53 H +ATOM 5531 HA ARG A 376 156.264 195.069 203.673 1.00 24.82 H +ATOM 5532 HB2 ARG A 376 156.175 197.444 203.223 1.00 25.31 H +ATOM 5533 HB3 ARG A 376 155.903 197.062 201.708 1.00 25.31 H +ATOM 5534 HG2 ARG A 376 153.863 197.487 202.521 1.00 26.49 H +ATOM 5535 HG3 ARG A 376 153.935 195.898 202.532 1.00 26.49 H +ATOM 5536 HD2 ARG A 376 153.037 196.630 204.539 1.00 29.82 H +ATOM 5537 HD3 ARG A 376 154.452 195.964 204.823 1.00 29.82 H +ATOM 5538 HE ARG A 376 155.213 197.929 205.441 1.00 32.11 H +ATOM 5539 HH11 ARG A 376 152.211 198.466 204.150 1.00 28.35 H +ATOM 5540 HH12 ARG A 376 152.097 199.883 204.594 1.00 28.35 H +ATOM 5541 HH21 ARG A 376 155.023 200.077 206.105 1.00 31.48 H +ATOM 5542 HH22 ARG A 376 153.797 200.856 205.776 1.00 31.48 H +ATOM 5543 N ILE A 377 155.584 193.364 202.061 1.00 20.76 N +ATOM 5544 CA ILE A 377 155.358 192.275 201.117 1.00 27.83 C +ATOM 5545 C ILE A 377 154.359 192.652 200.032 1.00 25.56 C +ATOM 5546 O ILE A 377 153.224 193.038 200.312 1.00 23.27 O +ATOM 5547 CB ILE A 377 154.868 191.007 201.845 1.00 22.76 C +ATOM 5548 CG1 ILE A 377 155.917 190.548 202.862 1.00 28.23 C +ATOM 5549 CG2 ILE A 377 154.558 189.883 200.852 1.00 23.38 C +ATOM 5550 CD1 ILE A 377 157.255 190.116 202.248 1.00 21.62 C +ATOM 5551 H ILE A 377 155.266 193.216 202.847 1.00 24.91 H +ATOM 5552 HA ILE A 377 156.199 192.061 200.683 1.00 33.39 H +ATOM 5553 HB ILE A 377 154.053 191.226 202.324 1.00 27.32 H +ATOM 5554 HG12 ILE A 377 156.097 191.279 203.474 1.00 33.87 H +ATOM 5555 HG13 ILE A 377 155.562 189.791 203.353 1.00 33.87 H +ATOM 5556 HG21 ILE A 377 154.253 189.104 201.343 1.00 28.06 H +ATOM 5557 HG22 ILE A 377 153.866 190.183 200.243 1.00 28.06 H +ATOM 5558 HG23 ILE A 377 155.365 189.669 200.358 1.00 28.06 H +ATOM 5559 HD11 ILE A 377 157.855 189.843 202.960 1.00 25.95 H +ATOM 5560 HD12 ILE A 377 157.100 189.374 201.643 1.00 25.95 H +ATOM 5561 HD13 ILE A 377 157.636 190.865 201.764 1.00 25.95 H +ATOM 5562 N ALA A 378 154.801 192.519 198.786 1.00 27.85 N +ATOM 5563 CA ALA A 378 153.983 192.859 197.630 1.00 21.72 C +ATOM 5564 C ALA A 378 153.075 191.704 197.229 1.00 19.78 C +ATOM 5565 O ALA A 378 153.514 190.557 197.152 1.00 25.15 O +ATOM 5566 CB ALA A 378 154.866 193.255 196.469 1.00 28.45 C +ATOM 5567 H ALA A 378 155.584 192.230 198.582 1.00 33.42 H +ATOM 5568 HA ALA A 378 153.422 193.618 197.853 1.00 26.06 H +ATOM 5569 HB1 ALA A 378 154.306 193.478 195.709 1.00 34.14 H +ATOM 5570 HB2 ALA A 378 155.398 194.024 196.726 1.00 34.14 H +ATOM 5571 HB3 ALA A 378 155.446 192.510 196.247 1.00 34.14 H +ATOM 5572 N ALA A 379 151.809 192.013 196.968 1.00 28.76 N +ATOM 5573 CA ALA A 379 150.845 191.011 196.525 1.00 25.91 C +ATOM 5574 C ALA A 379 151.311 190.326 195.245 1.00 27.14 C +ATOM 5575 O ALA A 379 151.057 189.143 195.043 1.00 28.56 O +ATOM 5576 CB ALA A 379 149.485 191.646 196.313 1.00 25.47 C +ATOM 5577 H ALA A 379 151.480 192.804 197.041 1.00 34.51 H +ATOM 5578 HA ALA A 379 150.756 190.333 197.212 1.00 31.09 H +ATOM 5579 HB1 ALA A 379 148.861 190.964 196.019 1.00 30.57 H +ATOM 5580 HB2 ALA A 379 149.184 192.032 197.150 1.00 30.57 H +ATOM 5581 HB3 ALA A 379 149.562 192.338 195.638 1.00 30.57 H +ATOM 5582 N GLU A 380 151.995 191.072 194.384 1.00 32.14 N +ATOM 5583 CA GLU A 380 152.467 190.521 193.119 1.00 28.20 C +ATOM 5584 C GLU A 380 153.566 189.500 193.357 1.00 29.08 C +ATOM 5585 O GLU A 380 153.671 188.507 192.635 1.00 33.70 O +ATOM 5586 CB GLU A 380 152.968 191.630 192.199 1.00 31.26 C +ATOM 5587 CG GLU A 380 151.889 192.614 191.791 1.00 34.69 C +ATOM 5588 CD GLU A 380 151.880 193.869 192.640 1.00 32.56 C +ATOM 5589 OE1 GLU A 380 152.345 193.817 193.795 1.00 32.50 O +ATOM 5590 OE2 GLU A 380 151.408 194.912 192.143 1.00 31.57 O +ATOM 5591 H GLU A 380 152.200 191.898 194.508 1.00 38.57 H +ATOM 5592 HA GLU A 380 151.730 190.072 192.675 1.00 33.85 H +ATOM 5593 HB2 GLU A 380 153.665 192.125 192.656 1.00 37.51 H +ATOM 5594 HB3 GLU A 380 153.324 191.229 191.391 1.00 37.51 H +ATOM 5595 HG2 GLU A 380 152.035 192.877 190.869 1.00 41.63 H +ATOM 5596 HG3 GLU A 380 151.023 192.187 191.880 1.00 41.63 H +ATOM 5597 N PHE A 381 154.387 189.756 194.371 1.00 29.65 N +ATOM 5598 CA PHE A 381 155.424 188.817 194.781 1.00 29.27 C +ATOM 5599 C PHE A 381 154.769 187.522 195.240 1.00 25.41 C +ATOM 5600 O PHE A 381 155.229 186.431 194.914 1.00 28.15 O +ATOM 5601 CB PHE A 381 156.281 189.427 195.895 1.00 29.46 C +ATOM 5602 CG PHE A 381 157.530 188.650 196.221 1.00 26.76 C +ATOM 5603 CD1 PHE A 381 158.298 188.076 195.223 1.00 32.22 C +ATOM 5604 CD2 PHE A 381 157.958 188.533 197.534 1.00 32.63 C +ATOM 5605 CE1 PHE A 381 159.453 187.378 195.532 1.00 29.24 C +ATOM 5606 CE2 PHE A 381 159.110 187.838 197.847 1.00 27.22 C +ATOM 5607 CZ PHE A 381 159.859 187.261 196.844 1.00 28.79 C +ATOM 5608 H PHE A 381 154.363 190.475 194.842 1.00 35.58 H +ATOM 5609 HA PHE A 381 155.999 188.620 194.025 1.00 35.12 H +ATOM 5610 HB2 PHE A 381 156.551 190.319 195.625 1.00 35.36 H +ATOM 5611 HB3 PHE A 381 155.747 189.479 196.704 1.00 35.36 H +ATOM 5612 HD1 PHE A 381 158.029 188.150 194.336 1.00 38.66 H +ATOM 5613 HD2 PHE A 381 157.456 188.920 198.216 1.00 39.15 H +ATOM 5614 HE1 PHE A 381 159.956 186.990 194.854 1.00 35.09 H +ATOM 5615 HE2 PHE A 381 159.381 187.761 198.733 1.00 32.67 H +ATOM 5616 HZ PHE A 381 160.634 186.792 197.052 1.00 34.54 H +ATOM 5617 N ASN A 382 153.686 187.654 195.999 1.00 33.27 N +ATOM 5618 CA ASN A 382 152.900 186.502 196.424 1.00 29.49 C +ATOM 5619 C ASN A 382 152.408 185.728 195.211 1.00 33.62 C +ATOM 5620 O ASN A 382 152.615 184.524 195.116 1.00 34.10 O +ATOM 5621 CB ASN A 382 151.721 186.949 197.294 1.00 33.77 C +ATOM 5622 CG ASN A 382 150.917 185.785 197.858 1.00 35.35 C +ATOM 5623 OD1 ASN A 382 150.724 184.762 197.209 1.00 40.36 O +ATOM 5624 ND2 ASN A 382 150.436 185.952 199.079 1.00 50.91 N +ATOM 5625 H ASN A 382 153.383 188.407 196.283 1.00 39.92 H +ATOM 5626 HA ASN A 382 153.460 185.912 196.953 1.00 35.38 H +ATOM 5627 HB2 ASN A 382 152.060 187.467 198.041 1.00 40.53 H +ATOM 5628 HB3 ASN A 382 151.123 187.493 196.758 1.00 40.53 H +ATOM 5629 HD21 ASN A 382 149.974 185.328 199.448 1.00 61.09 H +ATOM 5630 HD22 ASN A 382 150.586 186.685 199.503 1.00 61.09 H +ATOM 5631 N THR A 383 151.777 186.434 194.281 1.00 36.74 N +ATOM 5632 CA THR A 383 151.204 185.817 193.091 1.00 28.03 C +ATOM 5633 C THR A 383 152.236 185.052 192.266 1.00 34.14 C +ATOM 5634 O THR A 383 152.018 183.893 191.915 1.00 32.21 O +ATOM 5635 CB THR A 383 150.537 186.875 192.198 1.00 36.84 C +ATOM 5636 OG1 THR A 383 149.493 187.521 192.934 1.00 42.01 O +ATOM 5637 CG2 THR A 383 149.947 186.248 190.939 1.00 37.41 C +ATOM 5638 H THR A 383 151.665 187.286 194.316 1.00 44.09 H +ATOM 5639 HA THR A 383 150.519 185.187 193.365 1.00 33.63 H +ATOM 5640 HB THR A 383 151.198 187.533 191.931 1.00 44.20 H +ATOM 5641 HG1 THR A 383 149.121 188.103 192.456 1.00 50.41 H +ATOM 5642 HG21 THR A 383 149.532 186.932 190.391 1.00 44.89 H +ATOM 5643 HG22 THR A 383 150.646 185.814 190.426 1.00 44.89 H +ATOM 5644 HG23 THR A 383 149.277 185.589 191.180 1.00 44.89 H +ATOM 5645 N LEU A 384 153.358 185.694 191.956 1.00 33.79 N +ATOM 5646 CA LEU A 384 154.357 185.076 191.090 1.00 33.29 C +ATOM 5647 C LEU A 384 155.001 183.853 191.742 1.00 36.07 C +ATOM 5648 O LEU A 384 155.609 183.036 191.055 1.00 37.00 O +ATOM 5649 CB LEU A 384 155.436 186.094 190.694 1.00 28.78 C +ATOM 5650 CG LEU A 384 156.455 186.566 191.737 1.00 23.93 C +ATOM 5651 CD1 LEU A 384 157.657 185.633 191.824 1.00 27.97 C +ATOM 5652 CD2 LEU A 384 156.915 187.975 191.412 1.00 29.90 C +ATOM 5653 H LEU A 384 153.564 186.482 192.232 1.00 40.55 H +ATOM 5654 HA LEU A 384 153.920 184.779 190.276 1.00 39.94 H +ATOM 5655 HB2 LEU A 384 155.946 185.709 189.964 1.00 34.54 H +ATOM 5656 HB3 LEU A 384 154.983 186.889 190.372 1.00 34.54 H +ATOM 5657 HG LEU A 384 156.028 186.584 192.607 1.00 28.72 H +ATOM 5658 HD11 LEU A 384 158.271 185.972 192.494 1.00 33.56 H +ATOM 5659 HD12 LEU A 384 157.352 184.747 192.073 1.00 33.56 H +ATOM 5660 HD13 LEU A 384 158.096 185.602 190.959 1.00 33.56 H +ATOM 5661 HD21 LEU A 384 157.558 188.259 192.079 1.00 35.88 H +ATOM 5662 HD22 LEU A 384 157.326 187.978 190.533 1.00 35.88 H +ATOM 5663 HD23 LEU A 384 156.146 188.567 191.420 1.00 35.88 H +ATOM 5664 N TYR A 385 154.860 183.717 193.059 1.00 36.53 N +ATOM 5665 CA TYR A 385 155.519 182.626 193.775 1.00 33.34 C +ATOM 5666 C TYR A 385 154.667 181.358 193.872 1.00 32.51 C +ATOM 5667 O TYR A 385 155.037 180.419 194.573 1.00 32.92 O +ATOM 5668 CB TYR A 385 155.927 183.076 195.179 1.00 29.67 C +ATOM 5669 CG TYR A 385 157.392 182.829 195.465 1.00 29.64 C +ATOM 5670 CD1 TYR A 385 157.894 181.537 195.529 1.00 23.92 C +ATOM 5671 CD2 TYR A 385 158.274 183.886 195.653 1.00 22.72 C +ATOM 5672 CE1 TYR A 385 159.227 181.303 195.779 1.00 26.34 C +ATOM 5673 CE2 TYR A 385 159.611 183.660 195.905 1.00 23.08 C +ATOM 5674 CZ TYR A 385 160.083 182.365 195.966 1.00 28.45 C +ATOM 5675 OH TYR A 385 161.415 182.129 196.216 1.00 22.79 O +ATOM 5676 H TYR A 385 154.393 184.238 193.559 1.00 43.83 H +ATOM 5677 HA TYR A 385 156.330 182.393 193.297 1.00 40.01 H +ATOM 5678 HB2 TYR A 385 155.759 184.027 195.268 1.00 35.61 H +ATOM 5679 HB3 TYR A 385 155.406 182.584 195.833 1.00 35.61 H +ATOM 5680 HD1 TYR A 385 157.320 180.817 195.402 1.00 28.70 H +ATOM 5681 HD2 TYR A 385 157.957 184.759 195.611 1.00 27.26 H +ATOM 5682 HE1 TYR A 385 159.549 180.432 195.822 1.00 31.61 H +ATOM 5683 HE2 TYR A 385 160.190 184.376 196.031 1.00 27.69 H +ATOM 5684 HH TYR A 385 161.823 182.857 196.310 1.00 27.35 H +ATOM 5685 N HIS A 386 153.540 181.317 193.169 1.00 36.01 N +ATOM 5686 CA HIS A 386 152.732 180.101 193.127 1.00 47.62 C +ATOM 5687 C HIS A 386 153.366 179.082 192.183 1.00 46.23 C +ATOM 5688 O HIS A 386 152.832 178.797 191.113 1.00 47.84 O +ATOM 5689 CB HIS A 386 151.300 180.410 192.694 1.00 43.74 C +ATOM 5690 CG HIS A 386 150.523 181.194 193.703 1.00 45.49 C +ATOM 5691 ND1 HIS A 386 149.337 180.746 194.246 1.00 57.48 N +ATOM 5692 CD2 HIS A 386 150.768 182.395 194.277 1.00 46.79 C +ATOM 5693 CE1 HIS A 386 148.884 181.641 195.105 1.00 47.94 C +ATOM 5694 NE2 HIS A 386 149.733 182.651 195.142 1.00 39.23 N +ATOM 5695 H HIS A 386 153.223 181.972 192.710 1.00 43.22 H +ATOM 5696 HA HIS A 386 152.701 179.710 194.015 1.00 57.14 H +ATOM 5697 HB2 HIS A 386 151.327 180.926 191.873 1.00 52.49 H +ATOM 5698 HB3 HIS A 386 150.832 179.574 192.542 1.00 52.49 H +ATOM 5699 HD2 HIS A 386 151.499 182.945 194.112 1.00 56.15 H +ATOM 5700 HE1 HIS A 386 148.099 181.572 195.601 1.00 57.52 H +ATOM 5701 HE2 HIS A 386 149.653 183.355 195.630 1.00 47.07 H +ATOM 5702 N TRP A 387 154.511 178.540 192.594 1.00 43.70 N +ATOM 5703 CA TRP A 387 155.273 177.599 191.776 1.00 47.04 C +ATOM 5704 C TRP A 387 154.776 176.169 191.939 1.00 48.27 C +ATOM 5705 O TRP A 387 155.552 175.276 192.267 1.00 53.38 O +ATOM 5706 CB TRP A 387 156.759 177.644 192.144 1.00 46.27 C +ATOM 5707 CG TRP A 387 157.421 178.968 191.967 1.00 34.59 C +ATOM 5708 CD1 TRP A 387 156.926 180.059 191.317 1.00 37.59 C +ATOM 5709 CD2 TRP A 387 158.715 179.341 192.450 1.00 33.92 C +ATOM 5710 NE1 TRP A 387 157.832 181.090 191.368 1.00 32.33 N +ATOM 5711 CE2 TRP A 387 158.940 180.673 192.058 1.00 26.49 C +ATOM 5712 CE3 TRP A 387 159.706 178.676 193.178 1.00 26.34 C +ATOM 5713 CZ2 TRP A 387 160.112 181.353 192.369 1.00 25.40 C +ATOM 5714 CZ3 TRP A 387 160.867 179.351 193.485 1.00 28.94 C +ATOM 5715 CH2 TRP A 387 161.062 180.675 193.081 1.00 27.43 C +ATOM 5716 H TRP A 387 154.873 178.705 193.356 1.00 52.44 H +ATOM 5717 HA TRP A 387 155.185 177.845 190.842 1.00 56.45 H +ATOM 5718 HB2 TRP A 387 156.852 177.394 193.077 1.00 55.52 H +ATOM 5719 HB3 TRP A 387 157.232 177.005 191.589 1.00 55.52 H +ATOM 5720 HD1 TRP A 387 156.095 180.099 190.901 1.00 45.10 H +ATOM 5721 HE1 TRP A 387 157.722 181.870 191.022 1.00 38.79 H +ATOM 5722 HE3 TRP A 387 159.583 177.795 193.450 1.00 31.61 H +ATOM 5723 HZ2 TRP A 387 160.246 182.233 192.102 1.00 30.47 H +ATOM 5724 HZ3 TRP A 387 161.533 178.918 193.968 1.00 34.73 H +ATOM 5725 HH2 TRP A 387 161.856 181.106 193.302 1.00 32.92 H +ATOM 5726 N HIS A 388 153.491 175.942 191.709 1.00 54.66 N +ATOM 5727 CA HIS A 388 152.925 174.613 191.906 1.00 64.80 C +ATOM 5728 C HIS A 388 153.280 173.613 190.796 1.00 59.90 C +ATOM 5729 O HIS A 388 153.159 172.406 191.000 1.00 55.66 O +ATOM 5730 CB HIS A 388 151.411 174.730 192.063 1.00 53.34 C +ATOM 5731 CG HIS A 388 151.003 175.440 193.315 1.00 54.27 C +ATOM 5732 ND1 HIS A 388 150.498 176.721 193.315 1.00 56.40 N +ATOM 5733 CD2 HIS A 388 151.062 175.059 194.613 1.00 56.79 C +ATOM 5734 CE1 HIS A 388 150.248 177.093 194.558 1.00 62.86 C +ATOM 5735 NE2 HIS A 388 150.580 176.102 195.366 1.00 68.85 N +ATOM 5736 H HIS A 388 152.928 176.534 191.440 1.00 65.59 H +ATOM 5737 HA HIS A 388 153.274 174.256 192.737 1.00 77.76 H +ATOM 5738 HB2 HIS A 388 151.053 175.224 191.309 1.00 64.01 H +ATOM 5739 HB3 HIS A 388 151.027 173.839 192.086 1.00 64.01 H +ATOM 5740 HD1 HIS A 388 150.361 177.202 192.615 1.00 67.68 H +ATOM 5741 HD2 HIS A 388 151.364 174.240 194.934 1.00 68.14 H +ATOM 5742 HE1 HIS A 388 149.895 177.913 194.820 1.00 75.43 H +ATOM 5743 N PRO A 389 153.719 174.098 189.621 1.00 60.95 N +ATOM 5744 CA PRO A 389 154.293 173.138 188.673 1.00 58.56 C +ATOM 5745 C PRO A 389 155.538 172.411 189.195 1.00 54.55 C +ATOM 5746 O PRO A 389 155.950 171.426 188.586 1.00 54.90 O +ATOM 5747 CB PRO A 389 154.650 174.014 187.471 1.00 52.67 C +ATOM 5748 CG PRO A 389 153.665 175.114 187.513 1.00 52.55 C +ATOM 5749 CD PRO A 389 153.406 175.383 188.967 1.00 59.46 C +ATOM 5750 HA PRO A 389 153.626 172.485 188.407 1.00 70.28 H +ATOM 5751 HB2 PRO A 389 155.553 174.355 187.570 1.00 63.20 H +ATOM 5752 HB3 PRO A 389 154.560 173.502 186.653 1.00 63.20 H +ATOM 5753 HG2 PRO A 389 154.038 175.899 187.083 1.00 63.05 H +ATOM 5754 HG3 PRO A 389 152.849 174.836 187.068 1.00 63.05 H +ATOM 5755 HD2 PRO A 389 153.997 176.079 189.292 1.00 71.36 H +ATOM 5756 HD3 PRO A 389 152.474 175.614 189.107 1.00 71.36 H +ATOM 5757 N LEU A 390 156.131 172.892 190.283 1.00 57.56 N +ATOM 5758 CA LEU A 390 157.266 172.208 190.902 1.00 53.50 C +ATOM 5759 C LEU A 390 156.883 170.812 191.365 1.00 48.11 C +ATOM 5760 O LEU A 390 157.709 169.899 191.378 1.00 45.65 O +ATOM 5761 CB LEU A 390 157.794 172.997 192.104 1.00 52.02 C +ATOM 5762 CG LEU A 390 158.769 174.153 191.881 1.00 45.79 C +ATOM 5763 CD1 LEU A 390 159.000 174.875 193.194 1.00 42.02 C +ATOM 5764 CD2 LEU A 390 160.085 173.650 191.316 1.00 45.40 C +ATOM 5765 H LEU A 390 155.896 173.615 190.684 1.00 69.07 H +ATOM 5766 HA LEU A 390 157.983 172.127 190.254 1.00 64.20 H +ATOM 5767 HB2 LEU A 390 157.028 173.368 192.569 1.00 62.43 H +ATOM 5768 HB3 LEU A 390 158.241 172.369 192.693 1.00 62.43 H +ATOM 5769 HG LEU A 390 158.385 174.781 191.249 1.00 54.95 H +ATOM 5770 HD11 LEU A 390 159.619 175.607 193.047 1.00 50.43 H +ATOM 5771 HD12 LEU A 390 158.153 175.218 193.518 1.00 50.43 H +ATOM 5772 HD13 LEU A 390 159.372 174.250 193.836 1.00 50.43 H +ATOM 5773 HD21 LEU A 390 160.681 174.404 191.185 1.00 54.48 H +ATOM 5774 HD22 LEU A 390 160.478 173.022 191.942 1.00 54.48 H +ATOM 5775 HD23 LEU A 390 159.917 173.210 190.468 1.00 54.48 H +ATOM 5776 N LEU A 391 155.625 170.659 191.756 1.00 52.01 N +ATOM 5777 CA LEU A 391 155.183 169.456 192.443 1.00 67.61 C +ATOM 5778 C LEU A 391 155.139 168.241 191.514 1.00 64.64 C +ATOM 5779 O LEU A 391 154.721 168.355 190.363 1.00 60.69 O +ATOM 5780 CB LEU A 391 153.811 169.695 193.060 1.00 74.77 C +ATOM 5781 CG LEU A 391 153.748 170.789 194.125 1.00 69.74 C +ATOM 5782 CD1 LEU A 391 152.305 171.178 194.400 1.00 70.85 C +ATOM 5783 CD2 LEU A 391 154.429 170.328 195.407 1.00 60.53 C +ATOM 5784 H LEU A 391 155.004 171.241 191.633 1.00 62.41 H +ATOM 5785 HA LEU A 391 155.804 169.259 193.162 1.00 81.13 H +ATOM 5786 HB2 LEU A 391 153.195 169.942 192.353 1.00 89.73 H +ATOM 5787 HB3 LEU A 391 153.513 168.869 193.474 1.00 89.73 H +ATOM 5788 HG LEU A 391 154.215 171.575 193.800 1.00 83.69 H +ATOM 5789 HD11 LEU A 391 152.289 171.872 195.077 1.00 85.02 H +ATOM 5790 HD12 LEU A 391 151.905 171.505 193.579 1.00 85.02 H +ATOM 5791 HD13 LEU A 391 151.823 170.397 194.715 1.00 85.02 H +ATOM 5792 HD21 LEU A 391 154.376 171.038 196.066 1.00 72.64 H +ATOM 5793 HD22 LEU A 391 153.977 169.535 195.737 1.00 72.64 H +ATOM 5794 HD23 LEU A 391 155.357 170.123 195.215 1.00 72.64 H +ATOM 5795 N PRO A 392 155.564 167.066 192.014 1.00 63.55 N +ATOM 5796 CA PRO A 392 155.579 165.850 191.193 1.00 70.05 C +ATOM 5797 C PRO A 392 154.204 165.198 191.087 1.00 65.18 C +ATOM 5798 O PRO A 392 153.240 165.707 191.655 1.00 63.21 O +ATOM 5799 CB PRO A 392 156.556 164.946 191.943 1.00 68.31 C +ATOM 5800 CG PRO A 392 156.388 165.338 193.371 1.00 71.26 C +ATOM 5801 CD PRO A 392 156.048 166.805 193.383 1.00 60.90 C +ATOM 5802 HA PRO A 392 155.922 166.039 190.306 1.00 84.06 H +ATOM 5803 HB2 PRO A 392 156.315 164.016 191.809 1.00 81.97 H +ATOM 5804 HB3 PRO A 392 157.462 165.117 191.641 1.00 81.97 H +ATOM 5805 HG2 PRO A 392 155.667 164.821 193.764 1.00 85.52 H +ATOM 5806 HG3 PRO A 392 157.217 165.179 193.849 1.00 85.52 H +ATOM 5807 HD2 PRO A 392 155.346 166.984 194.028 1.00 73.08 H +ATOM 5808 HD3 PRO A 392 156.841 167.333 193.566 1.00 73.08 H +ATOM 5809 N ASP A 393 154.119 164.085 190.365 1.00 62.26 N +ATOM 5810 CA ASP A 393 152.872 163.335 190.259 1.00 61.51 C +ATOM 5811 C ASP A 393 152.664 162.498 191.515 1.00 58.90 C +ATOM 5812 O ASP A 393 151.546 162.371 192.011 1.00 59.56 O +ATOM 5813 CB ASP A 393 152.879 162.441 189.019 1.00 63.49 C +ATOM 5814 CG ASP A 393 152.957 163.232 187.731 1.00 66.18 C +ATOM 5815 OD1 ASP A 393 152.315 164.300 187.645 1.00 63.21 O +ATOM 5816 OD2 ASP A 393 153.664 162.787 186.804 1.00 63.03 O +ATOM 5817 H ASP A 393 154.773 163.741 189.924 1.00 74.71 H +ATOM 5818 HA ASP A 393 152.131 163.956 190.181 1.00 73.81 H +ATOM 5819 HB2 ASP A 393 153.650 161.853 189.058 1.00 76.19 H +ATOM 5820 HB3 ASP A 393 152.062 161.918 189.002 1.00 76.19 H +ATOM 5821 N THR A 394 153.754 161.924 192.013 1.00 56.67 N +ATOM 5822 CA THR A 394 153.748 161.204 193.280 1.00 58.93 C +ATOM 5823 C THR A 394 154.969 161.604 194.094 1.00 56.13 C +ATOM 5824 O THR A 394 155.959 162.082 193.543 1.00 58.42 O +ATOM 5825 CB THR A 394 153.753 159.674 193.083 1.00 67.17 C +ATOM 5826 OG1 THR A 394 154.973 159.274 192.446 1.00 70.39 O +ATOM 5827 CG2 THR A 394 152.571 159.236 192.235 1.00 73.01 C +ATOM 5828 H THR A 394 154.523 161.939 191.629 1.00 68.00 H +ATOM 5829 HA THR A 394 152.954 161.444 193.783 1.00 70.71 H +ATOM 5830 HB THR A 394 153.686 159.240 193.947 1.00 80.61 H +ATOM 5831 HG1 THR A 394 154.980 158.442 192.336 1.00 84.47 H +ATOM 5832 HG21 THR A 394 152.586 158.273 192.119 1.00 87.61 H +ATOM 5833 HG22 THR A 394 151.741 159.488 192.669 1.00 87.61 H +ATOM 5834 HG23 THR A 394 152.613 159.660 191.364 1.00 87.61 H +ATOM 5835 N PHE A 395 154.889 161.411 195.405 1.00 48.84 N +ATOM 5836 CA PHE A 395 156.012 161.677 196.294 1.00 61.76 C +ATOM 5837 C PHE A 395 156.695 160.368 196.658 1.00 65.64 C +ATOM 5838 O PHE A 395 156.074 159.475 197.235 1.00 54.74 O +ATOM 5839 CB PHE A 395 155.540 162.406 197.552 1.00 58.73 C +ATOM 5840 CG PHE A 395 154.830 163.694 197.266 1.00 53.23 C +ATOM 5841 CD1 PHE A 395 153.475 163.703 196.989 1.00 54.45 C +ATOM 5842 CD2 PHE A 395 155.518 164.894 197.266 1.00 57.75 C +ATOM 5843 CE1 PHE A 395 152.819 164.883 196.722 1.00 53.41 C +ATOM 5844 CE2 PHE A 395 154.864 166.079 196.999 1.00 61.68 C +ATOM 5845 CZ PHE A 395 153.512 166.073 196.727 1.00 55.64 C +ATOM 5846 H PHE A 395 154.187 161.122 195.809 1.00 58.61 H +ATOM 5847 HA PHE A 395 156.656 162.241 195.838 1.00 74.11 H +ATOM 5848 HB2 PHE A 395 154.929 161.831 198.037 1.00 70.48 H +ATOM 5849 HB3 PHE A 395 156.311 162.608 198.105 1.00 70.48 H +ATOM 5850 HD1 PHE A 395 153.002 162.903 196.985 1.00 65.34 H +ATOM 5851 HD2 PHE A 395 156.429 164.903 197.449 1.00 69.31 H +ATOM 5852 HE1 PHE A 395 151.907 164.877 196.539 1.00 64.10 H +ATOM 5853 HE2 PHE A 395 155.334 166.881 197.003 1.00 74.02 H +ATOM 5854 HZ PHE A 395 153.070 166.871 196.547 1.00 66.77 H +ATOM 5855 N GLN A 396 157.974 160.261 196.311 1.00 65.01 N +ATOM 5856 CA GLN A 396 158.722 159.026 196.515 1.00 63.17 C +ATOM 5857 C GLN A 396 159.658 159.117 197.713 1.00 58.13 C +ATOM 5858 O GLN A 396 160.744 159.683 197.614 1.00 59.52 O +ATOM 5859 CB GLN A 396 159.523 158.676 195.262 1.00 64.98 C +ATOM 5860 CG GLN A 396 158.659 158.266 194.078 1.00 68.77 C +ATOM 5861 CD GLN A 396 158.825 159.182 192.881 1.00 74.46 C +ATOM 5862 OE1 GLN A 396 159.941 159.559 192.521 1.00 67.61 O +ATOM 5863 NE2 GLN A 396 157.711 159.547 192.258 1.00 70.11 N +ATOM 5864 H GLN A 396 158.433 160.893 195.952 1.00 78.01 H +ATOM 5865 HA GLN A 396 158.096 158.304 196.681 1.00 75.81 H +ATOM 5866 HB2 GLN A 396 160.042 159.451 194.996 1.00 77.98 H +ATOM 5867 HB3 GLN A 396 160.117 157.937 195.467 1.00 77.98 H +ATOM 5868 HG2 GLN A 396 158.905 157.368 193.804 1.00 82.52 H +ATOM 5869 HG3 GLN A 396 157.727 158.287 194.345 1.00 82.52 H +ATOM 5870 HE21 GLN A 396 156.949 159.264 192.539 1.00 84.13 H +ATOM 5871 HE22 GLN A 396 157.751 160.066 191.574 1.00 84.13 H +ATOM 5872 N ILE A 397 159.227 158.557 198.840 1.00 61.97 N +ATOM 5873 CA ILE A 397 160.069 158.448 200.029 1.00 70.51 C +ATOM 5874 C ILE A 397 160.613 157.030 200.128 1.00 72.69 C +ATOM 5875 O ILE A 397 159.848 156.077 200.262 1.00 69.18 O +ATOM 5876 CB ILE A 397 159.307 158.776 201.327 1.00 70.28 C +ATOM 5877 CG1 ILE A 397 158.268 159.879 201.097 1.00 62.37 C +ATOM 5878 CG2 ILE A 397 160.292 159.161 202.426 1.00 55.57 C +ATOM 5879 CD1 ILE A 397 158.845 161.177 200.605 1.00 88.86 C +ATOM 5880 H ILE A 397 158.439 158.228 198.943 1.00 74.36 H +ATOM 5881 HA ILE A 397 160.818 159.060 199.950 1.00 84.61 H +ATOM 5882 HB ILE A 397 158.838 157.976 201.611 1.00 84.34 H +ATOM 5883 HG12 ILE A 397 157.629 159.571 200.436 1.00 74.85 H +ATOM 5884 HG13 ILE A 397 157.813 160.057 201.935 1.00 74.85 H +ATOM 5885 HG21 ILE A 397 159.797 159.365 203.235 1.00 66.68 H +ATOM 5886 HG22 ILE A 397 160.895 158.418 202.584 1.00 66.68 H +ATOM 5887 HG23 ILE A 397 160.794 159.941 202.140 1.00 66.68 H +ATOM 5888 HD11 ILE A 397 158.125 161.817 200.486 1.00106.63 H +ATOM 5889 HD12 ILE A 397 159.478 161.510 201.261 1.00106.63 H +ATOM 5890 HD13 ILE A 397 159.294 161.023 199.760 1.00106.63 H +ATOM 5891 N HIS A 398 161.934 156.898 200.067 1.00 75.64 N +ATOM 5892 CA HIS A 398 162.575 155.590 200.089 1.00 74.87 C +ATOM 5893 C HIS A 398 162.058 154.762 198.905 1.00 79.31 C +ATOM 5894 O HIS A 398 162.044 155.248 197.775 1.00 78.31 O +ATOM 5895 CB HIS A 398 162.323 154.893 201.431 1.00 68.03 C +ATOM 5896 CG HIS A 398 163.341 153.851 201.774 1.00 78.34 C +ATOM 5897 ND1 HIS A 398 164.695 154.053 201.616 1.00 77.04 N +ATOM 5898 CD2 HIS A 398 163.205 152.601 202.277 1.00 70.45 C +ATOM 5899 CE1 HIS A 398 165.349 152.972 202.001 1.00 80.52 C +ATOM 5900 NE2 HIS A 398 164.468 152.076 202.407 1.00 79.01 N +ATOM 5901 H HIS A 398 162.484 157.556 200.012 1.00 90.76 H +ATOM 5902 HA HIS A 398 163.533 155.704 199.984 1.00 89.85 H +ATOM 5903 HB2 HIS A 398 162.332 155.560 202.136 1.00 81.64 H +ATOM 5904 HB3 HIS A 398 161.455 154.461 201.399 1.00 81.64 H +ATOM 5905 HD1 HIS A 398 165.058 154.771 201.311 1.00 92.45 H +ATOM 5906 HD2 HIS A 398 162.406 152.176 202.492 1.00 84.54 H +ATOM 5907 HE1 HIS A 398 166.272 152.861 201.989 1.00 96.62 H +ATOM 5908 N ASP A 399 161.629 153.528 199.154 1.00 75.81 N +ATOM 5909 CA ASP A 399 161.113 152.665 198.094 1.00 69.16 C +ATOM 5910 C ASP A 399 159.583 152.687 198.032 1.00 68.96 C +ATOM 5911 O ASP A 399 158.958 151.700 197.640 1.00 81.51 O +ATOM 5912 CB ASP A 399 161.604 151.229 198.295 1.00 70.95 C +ATOM 5913 CG ASP A 399 161.319 150.704 199.691 1.00 93.33 C +ATOM 5914 OD1 ASP A 399 160.663 151.420 200.476 1.00 84.47 O +ATOM 5915 OD2 ASP A 399 161.748 149.572 200.000 1.00 93.66 O +ATOM 5916 H ASP A 399 161.626 153.165 199.934 1.00 90.97 H +ATOM 5917 HA ASP A 399 161.450 152.979 197.241 1.00 82.99 H +ATOM 5918 HB2 ASP A 399 161.157 150.650 197.659 1.00 85.14 H +ATOM 5919 HB3 ASP A 399 162.563 151.200 198.154 1.00 85.14 H +ATOM 5920 N GLN A 400 158.987 153.813 198.419 1.00 76.95 N +ATOM 5921 CA GLN A 400 157.533 153.959 198.415 1.00 61.32 C +ATOM 5922 C GLN A 400 157.084 155.160 197.596 1.00 49.80 C +ATOM 5923 O GLN A 400 157.759 156.181 197.564 1.00 55.67 O +ATOM 5924 CB GLN A 400 157.001 154.096 199.841 1.00 53.95 C +ATOM 5925 CG GLN A 400 157.292 152.900 200.726 1.00 62.46 C +ATOM 5926 CD GLN A 400 156.127 152.552 201.629 1.00 63.76 C +ATOM 5927 OE1 GLN A 400 155.020 152.286 201.158 1.00 69.60 O +ATOM 5928 NE2 GLN A 400 156.368 152.557 202.934 1.00 64.72 N +ATOM 5929 H GLN A 400 159.406 154.513 198.690 1.00 92.34 H +ATOM 5930 HA GLN A 400 157.137 153.164 198.023 1.00 73.59 H +ATOM 5931 HB2 GLN A 400 157.408 154.875 200.252 1.00 64.75 H +ATOM 5932 HB3 GLN A 400 156.038 154.210 199.805 1.00 64.75 H +ATOM 5933 HG2 GLN A 400 157.480 152.130 200.167 1.00 74.96 H +ATOM 5934 HG3 GLN A 400 158.059 153.099 201.286 1.00 74.96 H +ATOM 5935 HE21 GLN A 400 157.153 152.750 203.226 1.00 77.67 H +ATOM 5936 HE22 GLN A 400 155.739 152.366 203.488 1.00 77.67 H +ATOM 5937 N LYS A 401 155.941 155.016 196.933 1.00 51.62 N +ATOM 5938 CA LYS A 401 155.289 156.116 196.232 1.00 60.37 C +ATOM 5939 C LYS A 401 154.053 156.553 197.010 1.00 69.26 C +ATOM 5940 O LYS A 401 153.342 155.720 197.571 1.00 60.90 O +ATOM 5941 CB LYS A 401 154.894 155.707 194.810 1.00 56.97 C +ATOM 5942 CG LYS A 401 156.021 155.756 193.788 1.00 64.51 C +ATOM 5943 CD LYS A 401 155.586 155.114 192.476 1.00 77.16 C +ATOM 5944 CE LYS A 401 156.591 155.347 191.357 1.00 82.72 C +ATOM 5945 NZ LYS A 401 156.495 156.718 190.782 1.00 81.57 N +ATOM 5946 H LYS A 401 155.514 154.272 196.874 1.00 61.94 H +ATOM 5947 HA LYS A 401 155.899 156.869 196.177 1.00 72.44 H +ATOM 5948 HB2 LYS A 401 154.559 154.797 194.833 1.00 68.36 H +ATOM 5949 HB3 LYS A 401 154.194 156.303 194.501 1.00 68.36 H +ATOM 5950 HG2 LYS A 401 156.258 156.681 193.613 1.00 77.42 H +ATOM 5951 HG3 LYS A 401 156.787 155.269 194.129 1.00 77.42 H +ATOM 5952 HD2 LYS A 401 155.496 154.156 192.606 1.00 92.59 H +ATOM 5953 HD3 LYS A 401 154.736 155.494 192.202 1.00 92.59 H +ATOM 5954 HE2 LYS A 401 157.488 155.229 191.707 1.00 99.26 H +ATOM 5955 HE3 LYS A 401 156.425 154.709 190.644 1.00 99.26 H +ATOM 5956 HZ1 LYS A 401 157.095 156.818 190.133 1.00 97.88 H +ATOM 5957 HZ2 LYS A 401 155.681 156.851 190.447 1.00 97.88 H +ATOM 5958 HZ3 LYS A 401 156.649 157.324 191.415 1.00 97.88 H +ATOM 5959 N TYR A 402 153.810 157.859 197.051 1.00 68.97 N +ATOM 5960 CA TYR A 402 152.614 158.405 197.683 1.00 61.52 C +ATOM 5961 C TYR A 402 151.923 159.391 196.757 1.00 58.71 C +ATOM 5962 O TYR A 402 152.540 160.347 196.290 1.00 56.44 O +ATOM 5963 CB TYR A 402 152.955 159.109 198.998 1.00 67.10 C +ATOM 5964 CG TYR A 402 153.558 158.221 200.059 1.00 65.20 C +ATOM 5965 CD1 TYR A 402 152.766 157.344 200.788 1.00 75.85 C +ATOM 5966 CD2 TYR A 402 154.914 158.275 200.347 1.00 64.50 C +ATOM 5967 CE1 TYR A 402 153.311 156.537 201.764 1.00 63.78 C +ATOM 5968 CE2 TYR A 402 155.467 157.472 201.322 1.00 62.78 C +ATOM 5969 CZ TYR A 402 154.659 156.607 202.026 1.00 64.89 C +ATOM 5970 OH TYR A 402 155.199 155.803 202.999 1.00 64.48 O +ATOM 5971 H TYR A 402 154.330 158.457 196.716 1.00 82.77 H +ATOM 5972 HA TYR A 402 151.996 157.682 197.876 1.00 73.83 H +ATOM 5973 HB2 TYR A 402 153.592 159.817 198.813 1.00 80.52 H +ATOM 5974 HB3 TYR A 402 152.142 159.491 199.364 1.00 80.52 H +ATOM 5975 HD1 TYR A 402 151.854 157.296 200.611 1.00 91.02 H +ATOM 5976 HD2 TYR A 402 155.460 158.859 199.872 1.00 77.40 H +ATOM 5977 HE1 TYR A 402 152.770 155.951 202.243 1.00 76.53 H +ATOM 5978 HE2 TYR A 402 156.378 157.515 201.503 1.00 75.33 H +ATOM 5979 HH TYR A 402 156.025 155.942 203.060 1.00 77.37 H +ATOM 5980 N ASN A 403 150.642 159.161 196.492 1.00 61.38 N +ATOM 5981 CA ASN A 403 149.834 160.153 195.800 1.00 59.15 C +ATOM 5982 C ASN A 403 149.440 161.240 196.791 1.00 59.52 C +ATOM 5983 O ASN A 403 149.778 161.162 197.971 1.00 55.11 O +ATOM 5984 CB ASN A 403 148.595 159.519 195.164 1.00 65.86 C +ATOM 5985 CG ASN A 403 147.719 158.803 196.170 1.00 69.36 C +ATOM 5986 OD1 ASN A 403 147.122 159.426 197.045 1.00 68.85 O +ATOM 5987 ND2 ASN A 403 147.625 157.484 196.038 1.00 67.84 N +ATOM 5988 H ASN A 403 150.219 158.442 196.702 1.00 73.65 H +ATOM 5989 HA ASN A 403 150.362 160.560 195.096 1.00 70.98 H +ATOM 5990 HB2 ASN A 403 148.063 160.215 194.746 1.00 79.03 H +ATOM 5991 HB3 ASN A 403 148.877 158.873 194.498 1.00 79.03 H +ATOM 5992 HD21 ASN A 403 147.140 157.031 196.585 1.00 81.41 H +ATOM 5993 HD22 ASN A 403 148.049 157.084 195.406 1.00 81.41 H +ATOM 5994 N TYR A 404 148.721 162.249 196.317 1.00 55.81 N +ATOM 5995 CA TYR A 404 148.408 163.409 197.141 1.00 62.43 C +ATOM 5996 C TYR A 404 147.429 163.098 198.271 1.00 57.45 C +ATOM 5997 O TYR A 404 147.528 163.681 199.352 1.00 50.91 O +ATOM 5998 CB TYR A 404 147.857 164.532 196.264 1.00 60.10 C +ATOM 5999 CG TYR A 404 148.938 165.236 195.486 1.00 61.99 C +ATOM 6000 CD1 TYR A 404 149.530 164.631 194.388 1.00 64.56 C +ATOM 6001 CD2 TYR A 404 149.383 166.495 195.861 1.00 62.96 C +ATOM 6002 CE1 TYR A 404 150.524 165.263 193.680 1.00 60.88 C +ATOM 6003 CE2 TYR A 404 150.378 167.136 195.156 1.00 64.93 C +ATOM 6004 CZ TYR A 404 150.944 166.513 194.067 1.00 69.39 C +ATOM 6005 OH TYR A 404 151.935 167.141 193.357 1.00 70.76 O +ATOM 6006 H TYR A 404 148.402 162.287 195.519 1.00 66.97 H +ATOM 6007 HA TYR A 404 149.229 163.730 197.546 1.00 74.91 H +ATOM 6008 HB2 TYR A 404 147.225 164.158 195.631 1.00 72.12 H +ATOM 6009 HB3 TYR A 404 147.417 165.187 196.828 1.00 72.12 H +ATOM 6010 HD1 TYR A 404 149.248 163.785 194.124 1.00 77.47 H +ATOM 6011 HD2 TYR A 404 149.000 166.916 196.597 1.00 75.55 H +ATOM 6012 HE1 TYR A 404 150.910 164.847 192.942 1.00 73.06 H +ATOM 6013 HE2 TYR A 404 150.666 167.982 195.414 1.00 77.92 H +ATOM 6014 HH TYR A 404 152.187 166.653 192.723 1.00 84.91 H +ATOM 6015 N GLN A 405 146.493 162.188 198.026 1.00 62.59 N +ATOM 6016 CA GLN A 405 145.533 161.793 199.053 1.00 61.26 C +ATOM 6017 C GLN A 405 146.246 161.160 200.243 1.00 59.93 C +ATOM 6018 O GLN A 405 145.857 161.368 201.391 1.00 48.48 O +ATOM 6019 CB GLN A 405 144.498 160.819 198.486 1.00 66.12 C +ATOM 6020 CG GLN A 405 143.546 161.440 197.481 1.00 81.46 C +ATOM 6021 CD GLN A 405 142.520 160.451 196.965 1.00 83.49 C +ATOM 6022 OE1 GLN A 405 142.868 159.400 196.426 1.00 66.55 O +ATOM 6023 NE2 GLN A 405 141.244 160.780 197.132 1.00 91.71 N +ATOM 6024 H GLN A 405 146.392 161.783 197.274 1.00 75.11 H +ATOM 6025 HA GLN A 405 145.064 162.582 199.368 1.00 73.51 H +ATOM 6026 HB2 GLN A 405 144.964 160.094 198.043 1.00 79.35 H +ATOM 6027 HB3 GLN A 405 143.967 160.469 199.218 1.00 79.35 H +ATOM 6028 HG2 GLN A 405 143.071 162.172 197.905 1.00 97.75 H +ATOM 6029 HG3 GLN A 405 144.055 161.768 196.723 1.00 97.75 H +ATOM 6030 HE21 GLN A 405 141.038 161.522 197.517 1.00110.06 H +ATOM 6031 HE22 GLN A 405 140.624 160.252 196.857 1.00110.06 H +ATOM 6032 N GLN A 406 147.292 160.393 199.957 1.00 58.79 N +ATOM 6033 CA GLN A 406 148.055 159.708 200.993 1.00 61.38 C +ATOM 6034 C GLN A 406 149.043 160.635 201.698 1.00 66.31 C +ATOM 6035 O GLN A 406 149.357 160.445 202.873 1.00 55.81 O +ATOM 6036 CB GLN A 406 148.821 158.529 200.393 1.00 64.18 C +ATOM 6037 CG GLN A 406 147.954 157.475 199.736 1.00 59.29 C +ATOM 6038 CD GLN A 406 148.773 156.440 198.993 1.00 64.61 C +ATOM 6039 OE1 GLN A 406 149.149 156.641 197.839 1.00 68.79 O +ATOM 6040 NE2 GLN A 406 149.062 155.327 199.656 1.00 79.59 N +ATOM 6041 H GLN A 406 147.584 160.252 199.160 1.00 70.55 H +ATOM 6042 HA GLN A 406 147.442 159.361 201.660 1.00 73.66 H +ATOM 6043 HB2 GLN A 406 149.432 158.867 199.719 1.00 77.02 H +ATOM 6044 HB3 GLN A 406 149.324 158.095 201.100 1.00 77.02 H +ATOM 6045 HG2 GLN A 406 147.437 157.019 200.418 1.00 71.15 H +ATOM 6046 HG3 GLN A 406 147.361 157.904 199.099 1.00 71.15 H +ATOM 6047 HE21 GLN A 406 148.786 155.224 200.464 1.00 95.51 H +ATOM 6048 HE22 GLN A 406 149.524 154.709 199.278 1.00 95.51 H +ATOM 6049 N PHE A 407 149.530 161.633 200.970 1.00 62.42 N +ATOM 6050 CA PHE A 407 150.666 162.428 201.416 1.00 56.75 C +ATOM 6051 C PHE A 407 150.255 163.626 202.269 1.00 46.96 C +ATOM 6052 O PHE A 407 150.936 163.969 203.232 1.00 44.68 O +ATOM 6053 CB PHE A 407 151.463 162.904 200.198 1.00 59.24 C +ATOM 6054 CG PHE A 407 152.806 163.488 200.536 1.00 52.10 C +ATOM 6055 CD1 PHE A 407 153.808 162.693 201.065 1.00 46.70 C +ATOM 6056 CD2 PHE A 407 153.071 164.827 200.304 1.00 52.00 C +ATOM 6057 CE1 PHE A 407 155.043 163.225 201.368 1.00 49.44 C +ATOM 6058 CE2 PHE A 407 154.308 165.363 200.604 1.00 49.18 C +ATOM 6059 CZ PHE A 407 155.293 164.561 201.137 1.00 52.45 C +ATOM 6060 H PHE A 407 149.216 161.872 200.206 1.00 74.91 H +ATOM 6061 HA PHE A 407 151.248 161.868 201.952 1.00 68.10 H +ATOM 6062 HB2 PHE A 407 151.610 162.149 199.607 1.00 71.09 H +ATOM 6063 HB3 PHE A 407 150.951 163.587 199.737 1.00 71.09 H +ATOM 6064 HD1 PHE A 407 153.644 161.791 201.223 1.00 56.04 H +ATOM 6065 HD2 PHE A 407 152.409 165.372 199.945 1.00 62.40 H +ATOM 6066 HE1 PHE A 407 155.708 162.683 201.727 1.00 59.33 H +ATOM 6067 HE2 PHE A 407 154.475 166.264 200.449 1.00 59.02 H +ATOM 6068 HZ PHE A 407 156.126 164.921 201.341 1.00 62.94 H +ATOM 6069 N ILE A 408 149.138 164.254 201.922 1.00 51.19 N +ATOM 6070 CA ILE A 408 148.720 165.488 202.580 1.00 48.61 C +ATOM 6071 C ILE A 408 148.157 165.227 203.981 1.00 53.19 C +ATOM 6072 O ILE A 408 147.380 164.298 204.193 1.00 59.82 O +ATOM 6073 CB ILE A 408 147.685 166.238 201.707 1.00 44.86 C +ATOM 6074 CG1 ILE A 408 148.387 166.776 200.454 1.00 49.07 C +ATOM 6075 CG2 ILE A 408 147.022 167.372 202.479 1.00 54.42 C +ATOM 6076 CD1 ILE A 408 147.506 167.580 199.518 1.00 52.80 C +ATOM 6077 H ILE A 408 148.602 163.985 201.305 1.00 61.43 H +ATOM 6078 HA ILE A 408 149.494 166.064 202.677 1.00 58.33 H +ATOM 6079 HB ILE A 408 146.999 165.609 201.431 1.00 53.83 H +ATOM 6080 HG12 ILE A 408 149.117 167.349 200.733 1.00 58.88 H +ATOM 6081 HG13 ILE A 408 148.737 166.024 199.951 1.00 58.88 H +ATOM 6082 HG21 ILE A 408 146.382 167.816 201.900 1.00 65.30 H +ATOM 6083 HG22 ILE A 408 146.568 167.004 203.253 1.00 65.30 H +ATOM 6084 HG23 ILE A 408 147.704 168.001 202.763 1.00 65.30 H +ATOM 6085 HD11 ILE A 408 148.037 167.875 198.762 1.00 63.36 H +ATOM 6086 HD12 ILE A 408 146.776 167.020 199.213 1.00 63.36 H +ATOM 6087 HD13 ILE A 408 147.157 168.348 199.997 1.00 63.36 H +ATOM 6088 N TYR A 409 148.575 166.066 204.928 1.00 58.46 N +ATOM 6089 CA TYR A 409 148.168 165.979 206.335 1.00 51.15 C +ATOM 6090 C TYR A 409 148.571 164.657 206.988 1.00 50.43 C +ATOM 6091 O TYR A 409 148.057 164.302 208.048 1.00 61.44 O +ATOM 6092 CB TYR A 409 146.655 166.190 206.475 1.00 51.65 C +ATOM 6093 CG TYR A 409 146.231 167.631 206.328 1.00 57.13 C +ATOM 6094 CD1 TYR A 409 146.728 168.608 207.178 1.00 58.89 C +ATOM 6095 CD2 TYR A 409 145.326 168.011 205.350 1.00 59.25 C +ATOM 6096 CE1 TYR A 409 146.346 169.926 207.050 1.00 57.84 C +ATOM 6097 CE2 TYR A 409 144.938 169.328 205.213 1.00 65.30 C +ATOM 6098 CZ TYR A 409 145.451 170.281 206.067 1.00 62.63 C +ATOM 6099 OH TYR A 409 145.066 171.593 205.937 1.00 64.46 O +ATOM 6100 H TYR A 409 149.115 166.718 204.776 1.00 70.16 H +ATOM 6101 HA TYR A 409 148.608 166.691 206.825 1.00 61.38 H +ATOM 6102 HB2 TYR A 409 146.202 165.675 205.789 1.00 61.99 H +ATOM 6103 HB3 TYR A 409 146.376 165.886 207.353 1.00 61.99 H +ATOM 6104 HD1 TYR A 409 147.336 168.370 207.841 1.00 70.66 H +ATOM 6105 HD2 TYR A 409 144.981 167.370 204.771 1.00 71.10 H +ATOM 6106 HE1 TYR A 409 146.691 170.571 207.625 1.00 69.41 H +ATOM 6107 HE2 TYR A 409 144.332 169.570 204.550 1.00 78.36 H +ATOM 6108 HH TYR A 409 144.520 171.671 205.303 1.00 77.36 H +ATOM 6109 N ASN A 410 149.514 163.952 206.371 1.00 52.69 N +ATOM 6110 CA ASN A 410 149.945 162.649 206.860 1.00 62.97 C +ATOM 6111 C ASN A 410 151.337 162.691 207.499 1.00 56.12 C +ATOM 6112 O ASN A 410 152.335 162.360 206.859 1.00 51.68 O +ATOM 6113 CB ASN A 410 149.920 161.633 205.714 1.00 64.46 C +ATOM 6114 CG ASN A 410 149.886 160.207 206.210 1.00 53.14 C +ATOM 6115 OD1 ASN A 410 150.332 159.919 207.313 1.00 54.29 O +ATOM 6116 ND2 ASN A 410 149.353 159.304 205.398 1.00 68.77 N +ATOM 6117 H ASN A 410 149.923 164.210 205.659 1.00 63.23 H +ATOM 6118 HA ASN A 410 149.319 162.348 207.537 1.00 75.56 H +ATOM 6119 HB2 ASN A 410 149.128 161.784 205.175 1.00 77.35 H +ATOM 6120 HB3 ASN A 410 150.718 161.745 205.174 1.00 77.35 H +ATOM 6121 HD21 ASN A 410 149.044 159.531 204.629 1.00 82.52 H +ATOM 6122 N ASN A 411 151.400 163.091 208.766 1.00 56.41 N +ATOM 6123 CA ASN A 411 152.670 163.140 209.487 1.00 55.93 C +ATOM 6124 C ASN A 411 153.147 161.755 209.913 1.00 52.62 C +ATOM 6125 O ASN A 411 154.275 161.602 210.382 1.00 43.88 O +ATOM 6126 CB ASN A 411 152.558 164.042 210.718 1.00 61.67 C +ATOM 6127 CG ASN A 411 152.507 165.518 210.363 1.00 51.38 C +ATOM 6128 OD1 ASN A 411 153.014 165.941 209.323 1.00 44.76 O +ATOM 6129 ND2 ASN A 411 151.900 166.311 211.237 1.00 52.62 N +ATOM 6130 H ASN A 411 150.721 163.340 209.232 1.00 67.69 H +ATOM 6131 HA ASN A 411 153.345 163.519 208.902 1.00 67.11 H +ATOM 6132 HB2 ASN A 411 151.745 163.821 211.199 1.00 74.01 H +ATOM 6133 HB3 ASN A 411 153.330 163.897 211.287 1.00 74.01 H +ATOM 6134 HD21 ASN A 411 151.843 167.156 211.084 1.00 63.15 H +ATOM 6135 HD22 ASN A 411 151.562 165.981 211.956 1.00 63.15 H +ATOM 6136 N SER A 412 152.293 160.749 209.757 1.00 50.72 N +ATOM 6137 CA SER A 412 152.692 159.374 210.030 1.00 56.12 C +ATOM 6138 C SER A 412 153.786 158.949 209.054 1.00 50.39 C +ATOM 6139 O SER A 412 154.635 158.120 209.381 1.00 45.81 O +ATOM 6140 CB SER A 412 151.496 158.425 209.935 1.00 46.60 C +ATOM 6141 OG SER A 412 151.913 157.074 210.009 1.00 56.85 O +ATOM 6142 H SER A 412 151.478 160.836 209.495 1.00 60.87 H +ATOM 6143 HA SER A 412 153.051 159.319 210.929 1.00 67.34 H +ATOM 6144 HB2 SER A 412 150.890 158.608 210.670 1.00 55.92 H +ATOM 6145 HB3 SER A 412 151.044 158.570 209.089 1.00 55.92 H +ATOM 6146 HG SER A 412 152.439 156.901 209.377 1.00 68.23 H +ATOM 6147 N ILE A 413 153.760 159.523 207.855 1.00 42.70 N +ATOM 6148 CA ILE A 413 154.792 159.256 206.866 1.00 43.39 C +ATOM 6149 C ILE A 413 156.126 159.790 207.369 1.00 45.95 C +ATOM 6150 O ILE A 413 157.173 159.186 207.137 1.00 47.32 O +ATOM 6151 CB ILE A 413 154.452 159.891 205.498 1.00 45.09 C +ATOM 6152 CG1 ILE A 413 153.163 159.276 204.942 1.00 52.02 C +ATOM 6153 CG2 ILE A 413 155.605 159.697 204.509 1.00 52.97 C +ATOM 6154 CD1 ILE A 413 152.708 159.849 203.609 1.00 47.78 C +ATOM 6155 H ILE A 413 153.152 160.072 207.591 1.00 51.24 H +ATOM 6156 HA ILE A 413 154.875 158.298 206.742 1.00 52.07 H +ATOM 6157 HB ILE A 413 154.311 160.842 205.625 1.00 54.10 H +ATOM 6158 HG12 ILE A 413 153.302 158.324 204.820 1.00 62.43 H +ATOM 6159 HG13 ILE A 413 152.449 159.422 205.583 1.00 62.43 H +ATOM 6160 HG21 ILE A 413 155.366 160.104 203.662 1.00 63.56 H +ATOM 6161 HG22 ILE A 413 156.402 160.119 204.866 1.00 63.56 H +ATOM 6162 HG23 ILE A 413 155.760 158.747 204.388 1.00 63.56 H +ATOM 6163 HD11 ILE A 413 151.891 159.403 203.337 1.00 57.34 H +ATOM 6164 HD12 ILE A 413 152.548 160.800 203.713 1.00 57.34 H +ATOM 6165 HD13 ILE A 413 153.403 159.700 202.949 1.00 57.34 H +ATOM 6166 N LEU A 414 156.082 160.920 208.066 1.00 47.72 N +ATOM 6167 CA LEU A 414 157.296 161.552 208.564 1.00 43.35 C +ATOM 6168 C LEU A 414 157.960 160.711 209.649 1.00 40.23 C +ATOM 6169 O LEU A 414 159.177 160.538 209.648 1.00 40.45 O +ATOM 6170 CB LEU A 414 156.989 162.953 209.100 1.00 53.10 C +ATOM 6171 CG LEU A 414 158.210 163.816 209.433 1.00 48.38 C +ATOM 6172 CD1 LEU A 414 159.024 164.112 208.182 1.00 53.26 C +ATOM 6173 CD2 LEU A 414 157.788 165.108 210.113 1.00 54.17 C +ATOM 6174 H LEU A 414 155.359 161.341 208.265 1.00 57.26 H +ATOM 6175 HA LEU A 414 157.926 161.644 207.831 1.00 52.03 H +ATOM 6176 HB2 LEU A 414 156.470 163.430 208.433 1.00 63.72 H +ATOM 6177 HB3 LEU A 414 156.467 162.863 209.912 1.00 63.72 H +ATOM 6178 HG LEU A 414 158.779 163.328 210.049 1.00 58.06 H +ATOM 6179 HD11 LEU A 414 159.788 164.658 208.424 1.00 63.91 H +ATOM 6180 HD12 LEU A 414 159.325 163.274 207.796 1.00 63.91 H +ATOM 6181 HD13 LEU A 414 158.465 164.587 207.547 1.00 63.91 H +ATOM 6182 HD21 LEU A 414 158.580 165.633 210.312 1.00 65.01 H +ATOM 6183 HD22 LEU A 414 157.205 165.602 209.516 1.00 65.01 H +ATOM 6184 HD23 LEU A 414 157.318 164.894 210.934 1.00 65.01 H +ATOM 6185 N LEU A 415 157.164 160.190 210.579 1.00 44.38 N +ATOM 6186 CA LEU A 415 157.697 159.359 211.654 1.00 43.69 C +ATOM 6187 C LEU A 415 158.115 157.987 211.140 1.00 41.72 C +ATOM 6188 O LEU A 415 159.084 157.408 211.624 1.00 45.73 O +ATOM 6189 CB LEU A 415 156.672 159.191 212.775 1.00 38.60 C +ATOM 6190 CG LEU A 415 156.200 160.451 213.501 1.00 44.26 C +ATOM 6191 CD1 LEU A 415 155.294 160.058 214.653 1.00 40.06 C +ATOM 6192 CD2 LEU A 415 157.373 161.281 213.998 1.00 45.93 C +ATOM 6193 H LEU A 415 156.312 160.303 210.609 1.00 53.25 H +ATOM 6194 HA LEU A 415 158.482 159.791 212.027 1.00 52.43 H +ATOM 6195 HB2 LEU A 415 155.884 158.769 212.399 1.00 46.32 H +ATOM 6196 HB3 LEU A 415 157.056 158.605 213.446 1.00 46.32 H +ATOM 6197 HG LEU A 415 155.685 160.996 212.886 1.00 53.11 H +ATOM 6198 HD11 LEU A 415 154.998 160.862 215.109 1.00 48.08 H +ATOM 6199 HD12 LEU A 415 154.529 159.576 214.302 1.00 48.08 H +ATOM 6200 HD13 LEU A 415 155.789 159.493 215.266 1.00 48.08 H +ATOM 6201 HD21 LEU A 415 157.032 162.068 214.452 1.00 55.12 H +ATOM 6202 HD22 LEU A 415 157.899 160.747 214.613 1.00 55.12 H +ATOM 6203 HD23 LEU A 415 157.916 161.545 213.240 1.00 55.12 H +ATOM 6204 N GLU A 416 157.374 157.474 210.164 1.00 41.46 N +ATOM 6205 CA GLU A 416 157.654 156.162 209.592 1.00 49.76 C +ATOM 6206 C GLU A 416 159.052 156.103 208.983 1.00 51.86 C +ATOM 6207 O GLU A 416 159.810 155.170 209.243 1.00 59.64 O +ATOM 6208 CB GLU A 416 156.606 155.812 208.531 1.00 54.63 C +ATOM 6209 CG GLU A 416 156.835 154.474 207.839 1.00 72.10 C +ATOM 6210 CD GLU A 416 155.830 154.203 206.737 1.00 82.72 C +ATOM 6211 OE1 GLU A 416 154.941 155.052 206.516 1.00 84.49 O +ATOM 6212 OE2 GLU A 416 155.930 153.140 206.090 1.00 87.96 O +ATOM 6213 H GLU A 416 156.696 157.870 209.812 1.00 49.75 H +ATOM 6214 HA GLU A 416 157.604 155.494 210.295 1.00 59.72 H +ATOM 6215 HB2 GLU A 416 155.734 155.780 208.954 1.00 65.56 H +ATOM 6216 HB3 GLU A 416 156.613 156.502 207.849 1.00 65.56 H +ATOM 6217 HG2 GLU A 416 157.721 154.470 207.444 1.00 86.52 H +ATOM 6218 HG3 GLU A 416 156.760 153.763 208.494 1.00 86.52 H +ATOM 6219 N HIS A 417 159.391 157.106 208.178 1.00 50.05 N +ATOM 6220 CA HIS A 417 160.660 157.119 207.456 1.00 47.06 C +ATOM 6221 C HIS A 417 161.754 157.889 208.193 1.00 46.53 C +ATOM 6222 O HIS A 417 162.935 157.565 208.073 1.00 50.27 O +ATOM 6223 CB HIS A 417 160.460 157.715 206.064 1.00 53.62 C +ATOM 6224 CG HIS A 417 159.618 156.866 205.165 1.00 59.82 C +ATOM 6225 ND1 HIS A 417 160.147 155.867 204.377 1.00 67.95 N +ATOM 6226 CD2 HIS A 417 158.284 156.860 204.935 1.00 58.08 C +ATOM 6227 CE1 HIS A 417 159.176 155.286 203.697 1.00 61.29 C +ATOM 6228 NE2 HIS A 417 158.036 155.868 204.019 1.00 58.52 N +ATOM 6229 H HIS A 417 158.900 157.796 208.032 1.00 60.06 H +ATOM 6230 HA HIS A 417 160.965 156.205 207.346 1.00 56.48 H +ATOM 6231 HB2 HIS A 417 160.024 158.577 206.152 1.00 64.35 H +ATOM 6232 HB3 HIS A 417 161.326 157.825 205.642 1.00 64.35 H +ATOM 6233 HD1 HIS A 417 160.980 155.657 204.333 1.00 81.54 H +ATOM 6234 HD2 HIS A 417 157.654 157.423 205.324 1.00 69.70 H +ATOM 6235 HE1 HIS A 417 159.277 154.584 203.095 1.00 73.54 H +ATOM 6236 N GLY A 418 161.359 158.906 208.951 1.00 45.52 N +ATOM 6237 CA GLY A 418 162.313 159.735 209.666 1.00 49.45 C +ATOM 6238 C GLY A 418 162.873 160.828 208.774 1.00 47.44 C +ATOM 6239 O GLY A 418 162.733 160.772 207.552 1.00 39.53 O +ATOM 6240 H GLY A 418 160.539 159.136 209.067 1.00 54.62 H +ATOM 6241 HA2 GLY A 418 161.879 160.148 210.429 1.00 59.34 H +ATOM 6242 HA3 GLY A 418 163.047 159.187 209.985 1.00 59.34 H +ATOM 6243 N ILE A 419 163.508 161.823 209.384 1.00 48.87 N +ATOM 6244 CA ILE A 419 164.005 162.983 208.649 1.00 41.52 C +ATOM 6245 C ILE A 419 165.139 162.596 207.703 1.00 43.75 C +ATOM 6246 O ILE A 419 165.184 163.065 206.568 1.00 43.21 O +ATOM 6247 CB ILE A 419 164.504 164.094 209.601 1.00 41.07 C +ATOM 6248 CG1 ILE A 419 163.390 164.534 210.564 1.00 45.34 C +ATOM 6249 CG2 ILE A 419 165.040 165.287 208.804 1.00 48.91 C +ATOM 6250 CD1 ILE A 419 162.347 165.457 209.965 1.00 42.36 C +ATOM 6251 H ILE A 419 163.666 161.851 210.229 1.00 58.65 H +ATOM 6252 HA ILE A 419 163.282 163.349 208.115 1.00 49.83 H +ATOM 6253 HB ILE A 419 165.233 163.732 210.129 1.00 49.28 H +ATOM 6254 HG12 ILE A 419 162.930 163.742 210.884 1.00 54.41 H +ATOM 6255 HG13 ILE A 419 163.796 164.998 211.312 1.00 54.41 H +ATOM 6256 HG21 ILE A 419 165.346 165.968 209.423 1.00 58.69 H +ATOM 6257 HG22 ILE A 419 165.777 164.989 208.248 1.00 58.69 H +ATOM 6258 HG23 ILE A 419 164.328 165.641 208.248 1.00 58.69 H +ATOM 6259 HD11 ILE A 419 161.692 165.677 210.646 1.00 50.83 H +ATOM 6260 HD12 ILE A 419 162.784 166.265 209.652 1.00 50.83 H +ATOM 6261 HD13 ILE A 419 161.915 165.006 209.223 1.00 50.83 H +ATOM 6262 N THR A 420 166.052 161.753 208.177 1.00 41.99 N +ATOM 6263 CA THR A 420 167.199 161.331 207.377 1.00 34.98 C +ATOM 6264 C THR A 420 166.757 160.795 206.022 1.00 42.85 C +ATOM 6265 O THR A 420 167.273 161.210 204.985 1.00 36.95 O +ATOM 6266 CB THR A 420 168.027 160.247 208.098 1.00 40.83 C +ATOM 6267 OG1 THR A 420 168.502 160.758 209.349 1.00 41.99 O +ATOM 6268 CG2 THR A 420 169.221 159.812 207.248 1.00 39.78 C +ATOM 6269 H THR A 420 166.031 161.409 208.965 1.00 50.39 H +ATOM 6270 HA THR A 420 167.775 162.096 207.223 1.00 41.98 H +ATOM 6271 HB THR A 420 167.469 159.471 208.260 1.00 48.99 H +ATOM 6272 HG1 THR A 420 168.986 161.433 209.219 1.00 50.38 H +ATOM 6273 HG21 THR A 420 169.731 159.132 207.715 1.00 47.73 H +ATOM 6274 HG22 THR A 420 168.912 159.450 206.403 1.00 47.73 H +ATOM 6275 HG23 THR A 420 169.798 160.573 207.072 1.00 47.73 H +ATOM 6276 N GLN A 421 165.796 159.877 206.035 1.00 48.12 N +ATOM 6277 CA GLN A 421 165.287 159.291 204.801 1.00 50.52 C +ATOM 6278 C GLN A 421 164.606 160.345 203.937 1.00 48.69 C +ATOM 6279 O GLN A 421 164.733 160.331 202.713 1.00 48.69 O +ATOM 6280 CB GLN A 421 164.309 158.156 205.103 1.00 51.41 C +ATOM 6281 CG GLN A 421 163.839 157.410 203.863 1.00 63.52 C +ATOM 6282 CD GLN A 421 164.947 156.601 203.223 1.00 72.15 C +ATOM 6283 OE1 GLN A 421 165.334 156.849 202.080 1.00 59.43 O +ATOM 6284 NE2 GLN A 421 165.466 155.624 203.959 1.00 73.61 N +ATOM 6285 H GLN A 421 165.420 159.576 206.748 1.00 57.74 H +ATOM 6286 HA GLN A 421 166.029 158.922 204.297 1.00 60.63 H +ATOM 6287 HB2 GLN A 421 164.743 157.515 205.688 1.00 61.69 H +ATOM 6288 HB3 GLN A 421 163.527 158.525 205.542 1.00 61.69 H +ATOM 6289 HG2 GLN A 421 163.125 156.801 204.110 1.00 76.23 H +ATOM 6290 HG3 GLN A 421 163.518 158.052 203.209 1.00 76.23 H +ATOM 6291 HE21 GLN A 421 165.170 155.480 204.753 1.00 88.33 H +ATOM 6292 HE22 GLN A 421 166.098 155.135 203.640 1.00 88.33 H +ATOM 6293 N PHE A 422 163.877 161.253 204.577 1.00 46.13 N +ATOM 6294 CA PHE A 422 163.199 162.327 203.861 1.00 46.69 C +ATOM 6295 C PHE A 422 164.197 163.163 203.072 1.00 37.67 C +ATOM 6296 O PHE A 422 163.975 163.467 201.903 1.00 39.33 O +ATOM 6297 CB PHE A 422 162.418 163.214 204.830 1.00 47.08 C +ATOM 6298 CG PHE A 422 160.938 162.980 204.801 1.00 48.18 C +ATOM 6299 CD1 PHE A 422 160.402 161.791 205.263 1.00 53.00 C +ATOM 6300 CD2 PHE A 422 160.081 163.951 204.315 1.00 59.29 C +ATOM 6301 CE1 PHE A 422 159.038 161.573 205.236 1.00 53.70 C +ATOM 6302 CE2 PHE A 422 158.718 163.740 204.288 1.00 71.06 C +ATOM 6303 CZ PHE A 422 158.195 162.550 204.749 1.00 55.47 C +ATOM 6304 H PHE A 422 163.760 161.270 205.429 1.00 55.36 H +ATOM 6305 HA PHE A 422 162.568 161.940 203.233 1.00 56.03 H +ATOM 6306 HB2 PHE A 422 162.729 163.040 205.732 1.00 56.50 H +ATOM 6307 HB3 PHE A 422 162.577 164.143 204.600 1.00 56.50 H +ATOM 6308 HD1 PHE A 422 160.967 161.129 205.592 1.00 63.60 H +ATOM 6309 HD2 PHE A 422 160.428 164.755 204.003 1.00 71.15 H +ATOM 6310 HE1 PHE A 422 158.689 160.770 205.549 1.00 64.44 H +ATOM 6311 HE2 PHE A 422 158.152 164.399 203.958 1.00 85.27 H +ATOM 6312 HZ PHE A 422 157.277 162.406 204.731 1.00 66.56 H +ATOM 6313 N VAL A 423 165.301 163.522 203.717 1.00 40.70 N +ATOM 6314 CA VAL A 423 166.352 164.288 203.062 1.00 46.93 C +ATOM 6315 C VAL A 423 166.935 163.487 201.904 1.00 43.44 C +ATOM 6316 O VAL A 423 167.059 163.995 200.791 1.00 38.80 O +ATOM 6317 CB VAL A 423 167.471 164.672 204.055 1.00 41.06 C +ATOM 6318 CG1 VAL A 423 168.631 165.357 203.337 1.00 35.51 C +ATOM 6319 CG2 VAL A 423 166.918 165.576 205.144 1.00 42.61 C +ATOM 6320 H VAL A 423 165.466 163.333 204.540 1.00 48.84 H +ATOM 6321 HA VAL A 423 165.973 165.105 202.703 1.00 56.32 H +ATOM 6322 HB VAL A 423 167.811 163.868 204.477 1.00 49.28 H +ATOM 6323 HG11 VAL A 423 169.314 165.584 203.987 1.00 42.61 H +ATOM 6324 HG12 VAL A 423 168.994 164.749 202.674 1.00 42.61 H +ATOM 6325 HG13 VAL A 423 168.304 166.161 202.905 1.00 42.61 H +ATOM 6326 HG21 VAL A 423 167.634 165.807 205.756 1.00 51.14 H +ATOM 6327 HG22 VAL A 423 166.561 166.380 204.735 1.00 51.14 H +ATOM 6328 HG23 VAL A 423 166.215 165.106 205.618 1.00 51.14 H +ATOM 6329 N GLU A 424 167.287 162.234 202.174 1.00 47.47 N +ATOM 6330 CA GLU A 424 167.859 161.356 201.157 1.00 46.94 C +ATOM 6331 C GLU A 424 166.938 161.218 199.947 1.00 46.54 C +ATOM 6332 O GLU A 424 167.399 161.176 198.807 1.00 54.35 O +ATOM 6333 CB GLU A 424 168.147 159.972 201.748 1.00 48.51 C +ATOM 6334 CG GLU A 424 169.292 159.950 202.752 1.00 50.04 C +ATOM 6335 CD GLU A 424 169.492 158.584 203.388 1.00 62.16 C +ATOM 6336 OE1 GLU A 424 168.698 157.663 203.099 1.00 57.16 O +ATOM 6337 OE2 GLU A 424 170.446 158.432 204.180 1.00 55.25 O +ATOM 6338 H GLU A 424 167.205 161.865 202.946 1.00 56.96 H +ATOM 6339 HA GLU A 424 168.700 161.732 200.852 1.00 56.33 H +ATOM 6340 HB2 GLU A 424 167.351 159.655 202.202 1.00 58.21 H +ATOM 6341 HB3 GLU A 424 168.376 159.367 201.026 1.00 58.21 H +ATOM 6342 HG2 GLU A 424 170.114 160.192 202.299 1.00 60.05 H +ATOM 6343 HG3 GLU A 424 169.103 160.585 203.460 1.00 60.05 H +ATOM 6344 N SER A 425 165.636 161.160 200.203 1.00 44.20 N +ATOM 6345 CA SER A 425 164.654 160.947 199.147 1.00 42.98 C +ATOM 6346 C SER A 425 164.357 162.225 198.360 1.00 43.00 C +ATOM 6347 O SER A 425 164.320 162.206 197.131 1.00 39.34 O +ATOM 6348 CB SER A 425 163.361 160.390 199.742 1.00 52.10 C +ATOM 6349 OG SER A 425 163.584 159.133 200.358 1.00 56.58 O +ATOM 6350 H SER A 425 165.293 161.241 200.987 1.00 53.04 H +ATOM 6351 HA SER A 425 165.002 160.290 198.525 1.00 51.57 H +ATOM 6352 HB2 SER A 425 163.027 161.012 200.408 1.00 62.52 H +ATOM 6353 HB3 SER A 425 162.709 160.283 199.033 1.00 62.52 H +ATOM 6354 HG SER A 425 164.147 159.211 200.975 1.00 67.90 H +ATOM 6355 N PHE A 426 164.139 163.328 199.069 1.00 44.63 N +ATOM 6356 CA PHE A 426 163.831 164.603 198.424 1.00 41.09 C +ATOM 6357 C PHE A 426 165.011 165.131 197.623 1.00 40.03 C +ATOM 6358 O PHE A 426 164.823 165.821 196.625 1.00 41.40 O +ATOM 6359 CB PHE A 426 163.410 165.652 199.459 1.00 44.41 C +ATOM 6360 CG PHE A 426 162.026 165.449 200.019 1.00 47.84 C +ATOM 6361 CD1 PHE A 426 161.234 164.387 199.613 1.00 55.40 C +ATOM 6362 CD2 PHE A 426 161.514 166.336 200.949 1.00 64.76 C +ATOM 6363 CE1 PHE A 426 159.966 164.211 200.129 1.00 55.93 C +ATOM 6364 CE2 PHE A 426 160.245 166.165 201.468 1.00 62.50 C +ATOM 6365 CZ PHE A 426 159.471 165.100 201.056 1.00 63.90 C +ATOM 6366 H PHE A 426 164.163 163.366 199.928 1.00 53.55 H +ATOM 6367 HA PHE A 426 163.089 164.473 197.812 1.00 49.31 H +ATOM 6368 HB2 PHE A 426 164.035 165.627 200.200 1.00 53.29 H +ATOM 6369 HB3 PHE A 426 163.433 166.528 199.041 1.00 53.29 H +ATOM 6370 HD1 PHE A 426 161.563 163.782 198.987 1.00 66.47 H +ATOM 6371 HD2 PHE A 426 162.032 167.056 201.231 1.00 77.71 H +ATOM 6372 HE1 PHE A 426 159.446 163.493 199.850 1.00 67.12 H +ATOM 6373 HE2 PHE A 426 159.913 166.767 202.095 1.00 75.00 H +ATOM 6374 HZ PHE A 426 158.617 164.983 201.405 1.00 76.68 H +ATOM 6375 N THR A 427 166.225 164.811 198.058 1.00 41.43 N +ATOM 6376 CA THR A 427 167.421 165.244 197.349 1.00 44.37 C +ATOM 6377 C THR A 427 167.497 164.598 195.968 1.00 47.95 C +ATOM 6378 O THR A 427 167.976 165.210 195.014 1.00 43.12 O +ATOM 6379 CB THR A 427 168.698 164.900 198.137 1.00 44.17 C +ATOM 6380 OG1 THR A 427 168.602 165.435 199.463 1.00 43.63 O +ATOM 6381 CG2 THR A 427 169.936 165.472 197.451 1.00 41.28 C +ATOM 6382 H THR A 427 166.382 164.343 198.762 1.00 49.71 H +ATOM 6383 HA THR A 427 167.389 166.206 197.231 1.00 53.24 H +ATOM 6384 HB THR A 427 168.795 163.936 198.187 1.00 53.01 H +ATOM 6385 HG1 THR A 427 167.937 165.107 199.858 1.00 52.36 H +ATOM 6386 HG21 THR A 427 170.731 165.247 197.960 1.00 49.53 H +ATOM 6387 HG22 THR A 427 170.019 165.105 196.557 1.00 49.53 H +ATOM 6388 HG23 THR A 427 169.864 166.438 197.390 1.00 49.53 H +ATOM 6389 N ARG A 428 167.011 163.364 195.870 1.00 47.91 N +ATOM 6390 CA ARG A 428 167.121 162.582 194.641 1.00 47.52 C +ATOM 6391 C ARG A 428 165.929 162.761 193.701 1.00 49.55 C +ATOM 6392 O ARG A 428 166.033 162.465 192.511 1.00 50.86 O +ATOM 6393 CB ARG A 428 167.275 161.096 194.976 1.00 51.41 C +ATOM 6394 CG ARG A 428 168.577 160.745 195.684 1.00 60.88 C +ATOM 6395 CD ARG A 428 168.615 159.273 196.057 1.00 84.83 C +ATOM 6396 NE ARG A 428 167.565 158.929 197.019 1.00 83.35 N +ATOM 6397 CZ ARG A 428 166.814 157.831 196.977 1.00 92.42 C +ATOM 6398 NH1 ARG A 428 166.972 156.931 196.014 1.00103.49 N +ATOM 6399 NH2 ARG A 428 165.892 157.630 197.909 1.00 92.22 N +ATOM 6400 H ARG A 428 166.609 162.953 196.508 1.00 57.49 H +ATOM 6401 HA ARG A 428 167.918 162.862 194.164 1.00 57.02 H +ATOM 6402 HB2 ARG A 428 166.544 160.831 195.555 1.00 61.69 H +ATOM 6403 HB3 ARG A 428 167.241 160.587 194.151 1.00 61.69 H +ATOM 6404 HG2 ARG A 428 169.324 160.929 195.093 1.00 73.05 H +ATOM 6405 HG3 ARG A 428 168.653 161.268 196.497 1.00 73.05 H +ATOM 6406 HD2 ARG A 428 168.482 158.738 195.259 1.00101.80 H +ATOM 6407 HD3 ARG A 428 169.473 159.068 196.459 1.00101.80 H +ATOM 6408 HE ARG A 428 167.423 159.481 197.663 1.00100.03 H +ATOM 6409 HH11 ARG A 428 167.567 157.053 195.405 1.00124.19 H +ATOM 6410 HH12 ARG A 428 166.479 156.227 195.999 1.00124.19 H +ATOM 6411 HH21 ARG A 428 165.782 158.207 198.537 1.00110.66 H +ATOM 6412 HH22 ARG A 428 165.404 156.922 197.886 1.00110.66 H +ATOM 6413 N GLN A 429 164.801 163.233 194.228 1.00 42.42 N +ATOM 6414 CA GLN A 429 163.604 163.401 193.407 1.00 37.91 C +ATOM 6415 C GLN A 429 163.593 164.749 192.700 1.00 51.06 C +ATOM 6416 O GLN A 429 163.823 165.786 193.317 1.00 54.02 O +ATOM 6417 CB GLN A 429 162.334 163.254 194.247 1.00 47.71 C +ATOM 6418 CG GLN A 429 161.067 163.536 193.444 1.00 57.89 C +ATOM 6419 CD GLN A 429 159.837 162.843 193.996 1.00 59.19 C +ATOM 6420 OE1 GLN A 429 159.827 162.373 195.132 1.00 55.42 O +ATOM 6421 NE2 GLN A 429 158.789 162.775 193.184 1.00 61.36 N +ATOM 6422 H GLN A 429 164.703 163.461 195.051 1.00 50.90 H +ATOM 6423 HA GLN A 429 163.591 162.709 192.727 1.00 45.49 H +ATOM 6424 HB2 GLN A 429 162.280 162.347 194.586 1.00 57.25 H +ATOM 6425 HB3 GLN A 429 162.368 163.883 194.985 1.00 57.25 H +ATOM 6426 HG2 GLN A 429 160.898 164.491 193.450 1.00 69.47 H +ATOM 6427 HG3 GLN A 429 161.198 163.229 192.534 1.00 69.47 H +ATOM 6428 HE21 GLN A 429 158.833 163.113 192.395 1.00 73.63 H +ATOM 6429 HE22 GLN A 429 158.065 162.392 193.447 1.00 73.63 H +ATOM 6430 N ILE A 430 163.308 164.720 191.404 1.00 55.79 N +ATOM 6431 CA ILE A 430 163.312 165.917 190.573 1.00 54.01 C +ATOM 6432 C ILE A 430 161.996 166.683 190.698 1.00 49.27 C +ATOM 6433 O ILE A 430 160.930 166.084 190.831 1.00 46.38 O +ATOM 6434 CB ILE A 430 163.566 165.549 189.086 1.00 51.09 C +ATOM 6435 CG1 ILE A 430 163.871 166.793 188.251 1.00 56.23 C +ATOM 6436 CG2 ILE A 430 162.382 164.779 188.498 1.00 44.89 C +ATOM 6437 CD1 ILE A 430 165.263 167.315 188.425 1.00 51.46 C +ATOM 6438 H ILE A 430 163.106 164.003 190.973 1.00 66.95 H +ATOM 6439 HA ILE A 430 164.029 166.501 190.864 1.00 64.81 H +ATOM 6440 HB ILE A 430 164.343 164.970 189.052 1.00 61.30 H +ATOM 6441 HG12 ILE A 430 163.751 166.577 187.313 1.00 67.48 H +ATOM 6442 HG13 ILE A 430 163.256 167.499 188.507 1.00 67.48 H +ATOM 6443 HG21 ILE A 430 162.574 164.566 187.571 1.00 53.87 H +ATOM 6444 HG22 ILE A 430 162.254 163.963 189.006 1.00 53.87 H +ATOM 6445 HG23 ILE A 430 161.588 165.332 188.554 1.00 53.87 H +ATOM 6446 HD11 ILE A 430 165.378 168.100 187.867 1.00 61.75 H +ATOM 6447 HD12 ILE A 430 165.398 167.549 189.357 1.00 61.75 H +ATOM 6448 HD13 ILE A 430 165.894 166.627 188.162 1.00 61.75 H +ATOM 6449 N ALA A 431 162.082 168.010 190.664 1.00 46.60 N +ATOM 6450 CA ALA A 431 160.897 168.861 190.641 1.00 46.49 C +ATOM 6451 C ALA A 431 160.503 169.166 189.199 1.00 46.99 C +ATOM 6452 O ALA A 431 161.244 168.859 188.268 1.00 52.31 O +ATOM 6453 CB ALA A 431 161.147 170.148 191.406 1.00 44.72 C +ATOM 6454 H ALA A 431 162.823 168.445 190.654 1.00 55.92 H +ATOM 6455 HA ALA A 431 160.161 168.394 191.065 1.00 55.79 H +ATOM 6456 HB1 ALA A 431 160.345 170.694 191.375 1.00 53.67 H +ATOM 6457 HB2 ALA A 431 161.363 169.931 192.327 1.00 53.67 H +ATOM 6458 HB3 ALA A 431 161.887 170.622 190.995 1.00 53.67 H +ATOM 6459 N GLY A 432 159.333 169.768 189.021 1.00 46.50 N +ATOM 6460 CA GLY A 432 158.837 170.094 187.696 1.00 48.10 C +ATOM 6461 C GLY A 432 159.213 171.499 187.270 1.00 56.21 C +ATOM 6462 O GLY A 432 159.466 172.367 188.105 1.00 54.23 O +ATOM 6463 H GLY A 432 158.804 170.000 189.659 1.00 55.80 H +ATOM 6464 HA2 GLY A 432 159.202 169.469 187.051 1.00 57.72 H +ATOM 6465 HA3 GLY A 432 157.870 170.018 187.685 1.00 57.72 H +ATOM 6466 N ARG A 433 159.246 171.720 185.960 1.00 66.44 N +ATOM 6467 CA ARG A 433 159.565 173.027 185.398 1.00 73.22 C +ATOM 6468 C ARG A 433 158.387 173.980 185.582 1.00 58.23 C +ATOM 6469 O ARG A 433 157.234 173.582 185.426 1.00 59.35 O +ATOM 6470 CB ARG A 433 159.922 172.887 183.918 1.00 68.67 C +ATOM 6471 CG ARG A 433 160.640 174.081 183.320 1.00 69.23 C +ATOM 6472 CD ARG A 433 160.985 173.818 181.865 1.00 69.14 C +ATOM 6473 NE ARG A 433 162.035 174.705 181.373 1.00 82.88 N +ATOM 6474 CZ ARG A 433 162.607 174.596 180.179 1.00 81.36 C +ATOM 6475 NH1 ARG A 433 162.235 173.635 179.344 1.00 84.10 N +ATOM 6476 NH2 ARG A 433 163.557 175.447 179.818 1.00 74.32 N +ATOM 6477 H ARG A 433 159.083 171.119 185.367 1.00 79.73 H +ATOM 6478 HA ARG A 433 160.332 173.397 185.863 1.00 87.86 H +ATOM 6479 HB2 ARG A 433 160.499 172.115 183.811 1.00 82.40 H +ATOM 6480 HB3 ARG A 433 159.104 172.755 183.414 1.00 82.40 H +ATOM 6481 HG2 ARG A 433 160.064 174.860 183.363 1.00 83.07 H +ATOM 6482 HG3 ARG A 433 161.464 174.240 183.807 1.00 83.07 H +ATOM 6483 HD2 ARG A 433 161.295 172.904 181.773 1.00 82.97 H +ATOM 6484 HD3 ARG A 433 160.194 173.958 181.321 1.00 82.97 H +ATOM 6485 HE ARG A 433 162.300 175.340 181.890 1.00 99.45 H +ATOM 6486 HH11 ARG A 433 161.620 173.080 179.574 1.00100.92 H +ATOM 6487 HH12 ARG A 433 162.608 173.567 178.572 1.00100.92 H +ATOM 6488 HH21 ARG A 433 163.801 176.071 180.356 1.00 89.19 H +ATOM 6489 HH22 ARG A 433 163.926 175.376 179.045 1.00 89.19 H +ATOM 6490 N VAL A 434 158.678 175.236 185.912 1.00 50.67 N +ATOM 6491 CA VAL A 434 157.636 176.208 186.236 1.00 59.76 C +ATOM 6492 C VAL A 434 157.174 176.983 185.004 1.00 65.96 C +ATOM 6493 O VAL A 434 155.976 177.058 184.727 1.00 64.60 O +ATOM 6494 CB VAL A 434 158.119 177.195 187.317 1.00 54.24 C +ATOM 6495 CG1 VAL A 434 157.087 178.295 187.559 1.00 47.00 C +ATOM 6496 CG2 VAL A 434 158.401 176.443 188.609 1.00 50.30 C +ATOM 6497 H VAL A 434 159.476 175.552 185.955 1.00 60.81 H +ATOM 6498 HA VAL A 434 156.868 175.734 186.592 1.00 71.71 H +ATOM 6499 HB VAL A 434 158.943 177.612 187.022 1.00 65.09 H +ATOM 6500 HG11 VAL A 434 157.421 178.897 188.242 1.00 56.40 H +ATOM 6501 HG12 VAL A 434 156.943 178.781 186.732 1.00 56.40 H +ATOM 6502 HG13 VAL A 434 156.256 177.890 187.853 1.00 56.40 H +ATOM 6503 HG21 VAL A 434 158.704 177.074 189.281 1.00 60.36 H +ATOM 6504 HG22 VAL A 434 157.586 176.009 188.906 1.00 60.36 H +ATOM 6505 HG23 VAL A 434 159.088 175.779 188.444 1.00 60.36 H +ATOM 6506 N ALA A 435 158.117 177.568 184.273 1.00 63.95 N +ATOM 6507 CA ALA A 435 157.791 178.236 183.022 1.00 61.32 C +ATOM 6508 C ALA A 435 157.650 177.192 181.920 1.00 63.33 C +ATOM 6509 O ALA A 435 158.040 176.039 182.102 1.00 58.67 O +ATOM 6510 CB ALA A 435 158.853 179.260 182.663 1.00 61.23 C +ATOM 6511 H ALA A 435 158.951 177.591 184.480 1.00 76.73 H +ATOM 6512 HA ALA A 435 156.943 178.697 183.115 1.00 73.58 H +ATOM 6513 HB1 ALA A 435 158.609 179.687 181.827 1.00 73.48 H +ATOM 6514 HB2 ALA A 435 158.905 179.921 183.371 1.00 73.48 H +ATOM 6515 HB3 ALA A 435 159.706 178.809 182.568 1.00 73.48 H +ATOM 6516 N GLY A 436 157.086 177.593 180.785 1.00 55.30 N +ATOM 6517 CA GLY A 436 156.920 176.699 179.653 1.00 67.91 C +ATOM 6518 C GLY A 436 155.497 176.195 179.500 1.00 62.88 C +ATOM 6519 O GLY A 436 155.126 175.693 178.442 1.00 77.40 O +ATOM 6520 H GLY A 436 156.788 178.388 180.648 1.00 66.36 H +ATOM 6521 HA2 GLY A 436 157.170 177.163 178.839 1.00 81.49 H +ATOM 6522 HA3 GLY A 436 157.505 175.933 179.761 1.00 81.49 H +ATOM 6523 N GLY A 437 154.706 176.316 180.561 1.00 57.30 N +ATOM 6524 CA GLY A 437 153.291 175.995 180.502 1.00 54.68 C +ATOM 6525 C GLY A 437 152.959 174.526 180.686 1.00 46.00 C +ATOM 6526 O GLY A 437 153.832 173.663 180.612 1.00 45.29 O +ATOM 6527 H GLY A 437 154.970 176.585 181.334 1.00 68.76 H +ATOM 6528 HA2 GLY A 437 152.826 176.494 181.191 1.00 65.61 H +ATOM 6529 HA3 GLY A 437 152.941 176.274 179.641 1.00 65.61 H +ATOM 6530 N ARG A 438 151.680 174.262 180.943 1.00 58.04 N +ATOM 6531 CA ARG A 438 151.128 172.908 181.016 1.00 62.96 C +ATOM 6532 C ARG A 438 151.944 171.954 181.882 1.00 56.36 C +ATOM 6533 O ARG A 438 152.415 170.924 181.402 1.00 62.36 O +ATOM 6534 CB ARG A 438 150.995 172.330 179.605 1.00 76.62 C +ATOM 6535 CG ARG A 438 150.025 173.104 178.734 1.00 70.96 C +ATOM 6536 CD ARG A 438 150.044 172.654 177.293 1.00 80.13 C +ATOM 6537 NE ARG A 438 149.056 173.388 176.507 1.00 93.05 N +ATOM 6538 CZ ARG A 438 148.819 173.187 175.216 1.00 90.47 C +ATOM 6539 NH1 ARG A 438 149.501 172.267 174.547 1.00 84.87 N +ATOM 6540 NH2 ARG A 438 147.897 173.908 174.594 1.00 93.88 N +ATOM 6541 H ARG A 438 151.091 174.872 181.084 1.00 69.65 H +ATOM 6542 HA ARG A 438 150.238 172.959 181.398 1.00 75.55 H +ATOM 6543 HB2 ARG A 438 151.863 172.348 179.173 1.00 91.94 H +ATOM 6544 HB3 ARG A 438 150.676 171.416 179.668 1.00 91.94 H +ATOM 6545 HG2 ARG A 438 149.125 172.979 179.076 1.00 85.15 H +ATOM 6546 HG3 ARG A 438 150.261 174.045 178.758 1.00 85.15 H +ATOM 6547 HD2 ARG A 438 150.921 172.822 176.914 1.00 96.16 H +ATOM 6548 HD3 ARG A 438 149.831 171.709 177.247 1.00 96.16 H +ATOM 6549 HE ARG A 438 148.595 173.993 176.909 1.00111.66 H +ATOM 6550 HH11 ARG A 438 150.099 171.798 174.948 1.00101.84 H +ATOM 6551 HH12 ARG A 438 149.344 172.139 173.711 1.00101.84 H +ATOM 6552 HH21 ARG A 438 147.455 174.505 175.027 1.00112.66 H +ATOM 6553 HH22 ARG A 438 147.743 173.779 173.758 1.00112.66 H +ATOM 6554 N ASN A 439 152.098 172.295 183.158 1.00 59.84 N +ATOM 6555 CA ASN A 439 152.821 171.434 184.088 1.00 51.36 C +ATOM 6556 C ASN A 439 152.288 171.531 185.517 1.00 59.68 C +ATOM 6557 O ASN A 439 152.944 171.082 186.457 1.00 65.51 O +ATOM 6558 CB ASN A 439 154.314 171.773 184.064 1.00 49.12 C +ATOM 6559 CG ASN A 439 155.188 170.610 184.495 1.00 50.12 C +ATOM 6560 OD1 ASN A 439 154.843 169.448 184.287 1.00 49.45 O +ATOM 6561 ND2 ASN A 439 156.328 170.920 185.101 1.00 55.49 N +ATOM 6562 H ASN A 439 151.795 173.018 183.510 1.00 71.81 H +ATOM 6563 HA ASN A 439 152.723 170.513 183.799 1.00 61.63 H +ATOM 6564 HB2 ASN A 439 154.567 172.020 183.160 1.00 58.94 H +ATOM 6565 HB3 ASN A 439 154.479 172.514 184.668 1.00 58.94 H +ATOM 6566 HD21 ASN A 439 156.858 170.296 185.365 1.00 66.58 H +ATOM 6567 HD22 ASN A 439 156.536 171.745 185.230 1.00 66.58 H +ATOM 6568 N VAL A 440 151.096 172.100 185.680 1.00 63.53 N +ATOM 6569 CA VAL A 440 150.436 172.125 186.984 1.00 57.20 C +ATOM 6570 C VAL A 440 149.738 170.787 187.219 1.00 50.99 C +ATOM 6571 O VAL A 440 148.904 170.382 186.416 1.00 55.51 O +ATOM 6572 CB VAL A 440 149.398 173.259 187.088 1.00 61.11 C +ATOM 6573 CG1 VAL A 440 148.735 173.253 188.465 1.00 56.53 C +ATOM 6574 CG2 VAL A 440 150.052 174.603 186.827 1.00 62.87 C +ATOM 6575 H VAL A 440 150.648 172.479 185.051 1.00 76.23 H +ATOM 6576 HA VAL A 440 151.100 172.252 187.680 1.00 68.64 H +ATOM 6577 HB VAL A 440 148.708 173.122 186.420 1.00 73.33 H +ATOM 6578 HG11 VAL A 440 148.088 173.974 188.506 1.00 67.84 H +ATOM 6579 HG12 VAL A 440 148.292 172.401 188.598 1.00 67.84 H +ATOM 6580 HG13 VAL A 440 149.417 173.381 189.143 1.00 67.84 H +ATOM 6581 HG21 VAL A 440 149.380 175.299 186.898 1.00 75.45 H +ATOM 6582 HG22 VAL A 440 150.750 174.748 187.484 1.00 75.45 H +ATOM 6583 HG23 VAL A 440 150.433 174.600 185.935 1.00 75.45 H +ATOM 6584 N PRO A 441 150.073 170.087 188.318 1.00 54.49 N +ATOM 6585 CA PRO A 441 149.409 168.797 188.544 1.00 55.33 C +ATOM 6586 C PRO A 441 147.904 168.958 188.756 1.00 56.21 C +ATOM 6587 O PRO A 441 147.489 169.963 189.332 1.00 53.65 O +ATOM 6588 CB PRO A 441 150.087 168.266 189.813 1.00 59.52 C +ATOM 6589 CG PRO A 441 151.342 169.055 189.955 1.00 55.24 C +ATOM 6590 CD PRO A 441 151.051 170.392 189.374 1.00 55.55 C +ATOM 6591 HA PRO A 441 149.575 168.190 187.806 1.00 66.40 H +ATOM 6592 HB2 PRO A 441 149.505 168.409 190.577 1.00 71.42 H +ATOM 6593 HB3 PRO A 441 150.286 167.323 189.707 1.00 71.42 H +ATOM 6594 HG2 PRO A 441 151.572 169.134 190.894 1.00 66.29 H +ATOM 6595 HG3 PRO A 441 152.056 168.619 189.464 1.00 66.29 H +ATOM 6596 HD2 PRO A 441 150.657 170.974 190.043 1.00 66.66 H +ATOM 6597 HD3 PRO A 441 151.854 170.779 188.992 1.00 66.66 H +ATOM 6598 N PRO A 442 147.094 167.985 188.300 1.00 62.55 N +ATOM 6599 CA PRO A 442 145.641 168.062 188.494 1.00 59.91 C +ATOM 6600 C PRO A 442 145.251 168.245 189.958 1.00 51.47 C +ATOM 6601 O PRO A 442 144.214 168.835 190.255 1.00 50.85 O +ATOM 6602 CB PRO A 442 145.145 166.710 187.968 1.00 70.18 C +ATOM 6603 CG PRO A 442 146.190 166.262 187.022 1.00 77.52 C +ATOM 6604 CD PRO A 442 147.485 166.769 187.567 1.00 66.06 C +ATOM 6605 HA PRO A 442 145.262 168.779 187.962 1.00 71.89 H +ATOM 6606 HB2 PRO A 442 145.057 166.085 188.705 1.00 84.22 H +ATOM 6607 HB3 PRO A 442 144.296 166.828 187.513 1.00 84.22 H +ATOM 6608 HG2 PRO A 442 146.194 165.293 186.979 1.00 93.02 H +ATOM 6609 HG3 PRO A 442 146.018 166.640 186.146 1.00 93.02 H +ATOM 6610 HD2 PRO A 442 147.874 166.119 188.173 1.00 79.27 H +ATOM 6611 HD3 PRO A 442 148.093 166.990 186.844 1.00 79.27 H +ATOM 6612 N ALA A 443 146.095 167.745 190.854 1.00 56.54 N +ATOM 6613 CA ALA A 443 145.819 167.773 192.287 1.00 54.59 C +ATOM 6614 C ALA A 443 145.608 169.191 192.816 1.00 53.89 C +ATOM 6615 O ALA A 443 144.726 169.423 193.642 1.00 56.49 O +ATOM 6616 CB ALA A 443 146.952 167.097 193.042 1.00 51.87 C +ATOM 6617 H ALA A 443 146.846 167.377 190.655 1.00 67.85 H +ATOM 6618 HA ALA A 443 145.008 167.270 192.458 1.00 65.51 H +ATOM 6619 HB1 ALA A 443 146.757 167.123 193.991 1.00 62.25 H +ATOM 6620 HB2 ALA A 443 147.025 166.177 192.743 1.00 62.25 H +ATOM 6621 HB3 ALA A 443 147.779 167.571 192.860 1.00 62.25 H +ATOM 6622 N VAL A 444 146.420 170.131 192.342 1.00 59.34 N +ATOM 6623 CA VAL A 444 146.336 171.524 192.779 1.00 56.88 C +ATOM 6624 C VAL A 444 145.812 172.415 191.659 1.00 56.58 C +ATOM 6625 O VAL A 444 146.095 173.612 191.620 1.00 63.23 O +ATOM 6626 CB VAL A 444 147.706 172.054 193.256 1.00 57.26 C +ATOM 6627 CG1 VAL A 444 148.116 171.373 194.552 1.00 54.24 C +ATOM 6628 CG2 VAL A 444 148.767 171.858 192.182 1.00 53.49 C +ATOM 6629 H VAL A 444 147.036 169.987 191.759 1.00 71.21 H +ATOM 6630 HA VAL A 444 145.717 171.583 193.523 1.00 68.25 H +ATOM 6631 HB VAL A 444 147.631 173.006 193.431 1.00 68.71 H +ATOM 6632 HG11 VAL A 444 148.977 171.720 194.832 1.00 65.08 H +ATOM 6633 HG12 VAL A 444 147.447 171.557 195.230 1.00 65.08 H +ATOM 6634 HG13 VAL A 444 148.178 170.417 194.399 1.00 65.08 H +ATOM 6635 HG21 VAL A 444 149.614 172.199 192.509 1.00 64.19 H +ATOM 6636 HG22 VAL A 444 148.845 170.911 191.985 1.00 64.19 H +ATOM 6637 HG23 VAL A 444 148.501 172.341 191.384 1.00 64.19 H +ATOM 6638 N GLN A 445 145.042 171.823 190.754 1.00 61.69 N +ATOM 6639 CA GLN A 445 144.461 172.550 189.633 1.00 60.86 C +ATOM 6640 C GLN A 445 143.632 173.742 190.096 1.00 61.01 C +ATOM 6641 O GLN A 445 143.663 174.806 189.478 1.00 59.13 O +ATOM 6642 CB GLN A 445 143.600 171.605 188.790 1.00 69.81 C +ATOM 6643 CG GLN A 445 142.690 172.307 187.795 1.00 78.87 C +ATOM 6644 CD GLN A 445 141.991 171.347 186.855 1.00 84.65 C +ATOM 6645 OE1 GLN A 445 142.396 170.194 186.709 1.00 76.72 O +ATOM 6646 NE2 GLN A 445 140.929 171.821 186.211 1.00 69.10 N +ATOM 6647 H GLN A 445 144.838 170.987 190.768 1.00 74.03 H +ATOM 6648 HA GLN A 445 145.177 172.884 189.070 1.00 73.03 H +ATOM 6649 HB2 GLN A 445 144.184 171.015 188.289 1.00 83.77 H +ATOM 6650 HB3 GLN A 445 143.039 171.082 189.384 1.00 83.77 H +ATOM 6651 HG2 GLN A 445 142.010 172.799 188.282 1.00 94.64 H +ATOM 6652 HG3 GLN A 445 143.221 172.918 187.259 1.00 94.64 H +ATOM 6653 HE21 GLN A 445 140.674 172.632 186.340 1.00 82.92 H +ATOM 6654 HE22 GLN A 445 140.496 171.316 185.666 1.00 82.92 H +ATOM 6655 N LYS A 446 142.888 173.561 191.182 1.00 69.06 N +ATOM 6656 CA LYS A 446 142.016 174.615 191.687 1.00 68.75 C +ATOM 6657 C LYS A 446 142.808 175.746 192.330 1.00 61.45 C +ATOM 6658 O LYS A 446 142.363 176.893 192.339 1.00 60.44 O +ATOM 6659 CB LYS A 446 141.011 174.042 192.690 1.00 65.45 C +ATOM 6660 CG LYS A 446 139.927 173.185 192.057 1.00 69.92 C +ATOM 6661 CD LYS A 446 139.015 174.012 191.148 1.00 92.05 C +ATOM 6662 CE LYS A 446 138.309 173.148 190.124 1.00100.49 C +ATOM 6663 NZ LYS A 446 137.764 173.978 189.012 1.00 75.33 N +ATOM 6664 H LYS A 446 142.870 172.836 191.644 1.00 82.87 H +ATOM 6665 HA LYS A 446 141.515 174.988 190.946 1.00 82.50 H +ATOM 6666 HB2 LYS A 446 141.488 173.491 193.330 1.00 78.54 H +ATOM 6667 HB3 LYS A 446 140.576 174.777 193.151 1.00 78.54 H +ATOM 6668 HG2 LYS A 446 140.340 172.490 191.522 1.00 83.90 H +ATOM 6669 HG3 LYS A 446 139.382 172.791 192.756 1.00 83.90 H +ATOM 6670 HD2 LYS A 446 138.342 174.454 191.688 1.00110.46 H +ATOM 6671 HD3 LYS A 446 139.549 174.669 190.674 1.00110.46 H +ATOM 6672 HE2 LYS A 446 138.939 172.512 189.751 1.00120.58 H +ATOM 6673 HE3 LYS A 446 137.571 172.684 190.549 1.00120.58 H +ATOM 6674 HZ1 LYS A 446 137.352 173.457 188.418 1.00 90.40 H +ATOM 6675 HZ2 LYS A 446 137.181 174.569 189.331 1.00 90.40 H +ATOM 6676 HZ3 LYS A 446 138.425 174.413 188.605 1.00 90.40 H +ATOM 6677 N VAL A 447 143.977 175.424 192.869 1.00 62.85 N +ATOM 6678 CA VAL A 447 144.844 176.445 193.434 1.00 63.27 C +ATOM 6679 C VAL A 447 145.276 177.404 192.332 1.00 60.77 C +ATOM 6680 O VAL A 447 145.323 178.616 192.534 1.00 57.05 O +ATOM 6681 CB VAL A 447 146.087 175.833 194.109 1.00 62.45 C +ATOM 6682 CG1 VAL A 447 146.997 176.923 194.645 1.00 81.36 C +ATOM 6683 CG2 VAL A 447 145.674 174.896 195.234 1.00 59.59 C +ATOM 6684 H VAL A 447 144.290 174.624 192.919 1.00 75.42 H +ATOM 6685 HA VAL A 447 144.353 176.949 194.102 1.00 75.93 H +ATOM 6686 HB VAL A 447 146.585 175.318 193.454 1.00 74.94 H +ATOM 6687 HG11 VAL A 447 147.770 176.511 195.064 1.00 97.63 H +ATOM 6688 HG12 VAL A 447 147.281 177.487 193.909 1.00 97.63 H +ATOM 6689 HG13 VAL A 447 146.509 177.449 195.297 1.00 97.63 H +ATOM 6690 HG21 VAL A 447 146.470 174.523 195.643 1.00 71.50 H +ATOM 6691 HG22 VAL A 447 145.167 175.397 195.892 1.00 71.50 H +ATOM 6692 HG23 VAL A 447 145.126 174.184 194.867 1.00 71.50 H +ATOM 6693 N SER A 448 145.585 176.853 191.162 1.00 61.54 N +ATOM 6694 CA SER A 448 145.962 177.663 190.010 1.00 66.42 C +ATOM 6695 C SER A 448 144.840 178.614 189.616 1.00 60.45 C +ATOM 6696 O SER A 448 145.073 179.801 189.393 1.00 62.93 O +ATOM 6697 CB SER A 448 146.331 176.774 188.821 1.00 62.06 C +ATOM 6698 OG SER A 448 147.719 176.498 188.806 1.00 71.61 O +ATOM 6699 H SER A 448 145.583 176.007 191.009 1.00 73.85 H +ATOM 6700 HA SER A 448 146.740 178.196 190.239 1.00 79.71 H +ATOM 6701 HB2 SER A 448 145.844 175.938 188.890 1.00 74.48 H +ATOM 6702 HB3 SER A 448 146.091 177.230 188.000 1.00 74.48 H +ATOM 6703 HG SER A 448 147.908 176.009 188.150 1.00 85.93 H +ATOM 6704 N GLN A 449 143.624 178.086 189.527 1.00 50.84 N +ATOM 6705 CA GLN A 449 142.468 178.901 189.179 1.00 54.96 C +ATOM 6706 C GLN A 449 142.237 179.982 190.229 1.00 57.01 C +ATOM 6707 O GLN A 449 141.816 181.092 189.906 1.00 60.83 O +ATOM 6708 CB GLN A 449 141.218 178.034 189.035 1.00 59.14 C +ATOM 6709 CG GLN A 449 139.983 178.813 188.612 1.00 61.62 C +ATOM 6710 CD GLN A 449 138.784 177.925 188.359 1.00 63.05 C +ATOM 6711 OE1 GLN A 449 138.817 176.724 188.630 1.00 60.59 O +ATOM 6712 NE2 GLN A 449 137.715 178.512 187.835 1.00 60.03 N +ATOM 6713 H GLN A 449 143.441 177.256 189.664 1.00 61.01 H +ATOM 6714 HA GLN A 449 142.632 179.338 188.329 1.00 65.95 H +ATOM 6715 HB2 GLN A 449 141.384 177.353 188.364 1.00 70.97 H +ATOM 6716 HB3 GLN A 449 141.027 177.614 189.889 1.00 70.97 H +ATOM 6717 HG2 GLN A 449 139.749 179.439 189.316 1.00 73.95 H +ATOM 6718 HG3 GLN A 449 140.178 179.294 187.793 1.00 73.95 H +ATOM 6719 HE21 GLN A 449 137.730 179.354 187.658 1.00 72.04 H +ATOM 6720 HE22 GLN A 449 137.008 178.051 187.671 1.00 72.04 H +ATOM 6721 N ALA A 450 142.517 179.652 191.486 1.00 54.51 N +ATOM 6722 CA ALA A 450 142.344 180.598 192.582 1.00 57.15 C +ATOM 6723 C ALA A 450 143.270 181.796 192.413 1.00 63.51 C +ATOM 6724 O ALA A 450 142.879 182.935 192.670 1.00 60.09 O +ATOM 6725 CB ALA A 450 142.601 179.916 193.914 1.00 58.12 C +ATOM 6726 H ALA A 450 142.810 178.881 191.731 1.00 65.41 H +ATOM 6727 HA ALA A 450 141.430 180.921 192.581 1.00 68.58 H +ATOM 6728 HB1 ALA A 450 142.480 180.562 194.627 1.00 69.74 H +ATOM 6729 HB2 ALA A 450 141.972 179.185 194.020 1.00 69.74 H +ATOM 6730 HB3 ALA A 450 143.509 179.576 193.924 1.00 69.74 H +ATOM 6731 N SER A 451 144.498 181.533 191.978 1.00 53.14 N +ATOM 6732 CA SER A 451 145.476 182.590 191.760 1.00 54.32 C +ATOM 6733 C SER A 451 144.965 183.605 190.745 1.00 62.60 C +ATOM 6734 O SER A 451 145.061 184.814 190.958 1.00 64.43 O +ATOM 6735 CB SER A 451 146.801 181.998 191.285 1.00 58.41 C +ATOM 6736 OG SER A 451 147.274 181.024 192.197 1.00 65.56 O +ATOM 6737 H SER A 451 144.790 180.744 191.800 1.00 63.77 H +ATOM 6738 HA SER A 451 145.635 183.053 192.597 1.00 65.19 H +ATOM 6739 HB2 SER A 451 146.669 181.582 190.419 1.00 70.09 H +ATOM 6740 HB3 SER A 451 147.457 182.709 191.214 1.00 70.09 H +ATOM 6741 HG SER A 451 147.393 181.371 192.953 1.00 78.68 H +ATOM 6742 N ILE A 452 144.421 183.103 189.642 1.00 69.74 N +ATOM 6743 CA ILE A 452 143.868 183.957 188.600 1.00 68.75 C +ATOM 6744 C ILE A 452 142.677 184.746 189.136 1.00 56.40 C +ATOM 6745 O ILE A 452 142.624 185.966 188.999 1.00 57.96 O +ATOM 6746 CB ILE A 452 143.428 183.135 187.369 1.00 71.21 C +ATOM 6747 CG1 ILE A 452 144.624 182.382 186.780 1.00 71.80 C +ATOM 6748 CG2 ILE A 452 142.802 184.042 186.306 1.00 66.38 C +ATOM 6749 CD1 ILE A 452 144.252 181.359 185.728 1.00 72.67 C +ATOM 6750 H ILE A 452 144.360 182.262 189.472 1.00 83.68 H +ATOM 6751 HA ILE A 452 144.545 184.590 188.315 1.00 82.51 H +ATOM 6752 HB ILE A 452 142.764 182.487 187.652 1.00 85.46 H +ATOM 6753 HG12 ILE A 452 145.225 183.023 186.370 1.00 86.17 H +ATOM 6754 HG13 ILE A 452 145.082 181.915 187.497 1.00 86.17 H +ATOM 6755 HG21 ILE A 452 142.536 183.501 185.547 1.00 79.65 H +ATOM 6756 HG22 ILE A 452 142.027 184.484 186.686 1.00 79.65 H +ATOM 6757 HG23 ILE A 452 143.457 184.702 186.030 1.00 79.65 H +ATOM 6758 HD11 ILE A 452 145.059 180.929 185.407 1.00 87.20 H +ATOM 6759 HD12 ILE A 452 143.660 180.701 186.124 1.00 87.20 H +ATOM 6760 HD13 ILE A 452 143.803 181.810 184.996 1.00 87.20 H +ATOM 6761 N ASP A 453 141.729 184.039 189.742 1.00 59.62 N +ATOM 6762 CA ASP A 453 140.517 184.665 190.259 1.00 54.48 C +ATOM 6763 C ASP A 453 140.841 185.728 191.303 1.00 55.06 C +ATOM 6764 O ASP A 453 140.305 186.832 191.258 1.00 50.30 O +ATOM 6765 CB ASP A 453 139.583 183.613 190.864 1.00 59.09 C +ATOM 6766 CG ASP A 453 138.963 182.704 189.817 1.00 61.94 C +ATOM 6767 OD1 ASP A 453 138.834 183.125 188.649 1.00 57.41 O +ATOM 6768 OD2 ASP A 453 138.595 181.566 190.171 1.00 55.62 O +ATOM 6769 H ASP A 453 141.763 183.189 189.867 1.00 71.54 H +ATOM 6770 HA ASP A 453 140.048 185.097 189.528 1.00 65.38 H +ATOM 6771 HB2 ASP A 453 140.088 183.059 191.480 1.00 70.90 H +ATOM 6772 HB3 ASP A 453 138.864 184.062 191.335 1.00 70.90 H +ATOM 6773 N GLN A 454 141.725 185.393 192.237 1.00 60.21 N +ATOM 6774 CA GLN A 454 142.084 186.310 193.312 1.00 54.23 C +ATOM 6775 C GLN A 454 142.812 187.549 192.793 1.00 49.98 C +ATOM 6776 O GLN A 454 142.678 188.634 193.357 1.00 45.98 O +ATOM 6777 CB GLN A 454 142.949 185.595 194.349 1.00 64.44 C +ATOM 6778 CG GLN A 454 142.176 184.626 195.228 1.00 71.88 C +ATOM 6779 CD GLN A 454 143.085 183.737 196.049 1.00 58.48 C +ATOM 6780 OE1 GLN A 454 144.227 184.093 196.334 1.00 69.27 O +ATOM 6781 NE2 GLN A 454 142.583 182.570 196.430 1.00 77.55 N +ATOM 6782 H GLN A 454 142.133 184.636 192.270 1.00 72.25 H +ATOM 6783 HA GLN A 454 141.273 186.606 193.754 1.00 65.08 H +ATOM 6784 HB2 GLN A 454 143.639 185.092 193.887 1.00 77.33 H +ATOM 6785 HB3 GLN A 454 143.358 186.259 194.926 1.00 77.33 H +ATOM 6786 HG2 GLN A 454 141.616 185.130 195.839 1.00 86.26 H +ATOM 6787 HG3 GLN A 454 141.627 184.057 194.666 1.00 86.26 H +ATOM 6788 HE21 GLN A 454 141.781 182.353 196.208 1.00 93.07 H +ATOM 6789 HE22 GLN A 454 143.060 182.029 196.898 1.00 93.07 H +ATOM 6790 N SER A 455 143.583 187.391 191.721 1.00 49.77 N +ATOM 6791 CA SER A 455 144.295 188.522 191.139 1.00 47.73 C +ATOM 6792 C SER A 455 143.314 189.448 190.430 1.00 42.12 C +ATOM 6793 O SER A 455 143.527 190.656 190.362 1.00 36.86 O +ATOM 6794 CB SER A 455 145.378 188.046 190.168 1.00 51.15 C +ATOM 6795 OG SER A 455 144.817 187.326 189.087 1.00 66.26 O +ATOM 6796 H SER A 455 143.709 186.643 191.315 1.00 59.72 H +ATOM 6797 HA SER A 455 144.726 189.025 191.848 1.00 57.27 H +ATOM 6798 HB2 SER A 455 145.850 188.819 189.820 1.00 61.37 H +ATOM 6799 HB3 SER A 455 145.995 187.469 190.644 1.00 61.37 H +ATOM 6800 HG SER A 455 144.405 186.653 189.374 1.00 79.51 H +ATOM 6801 N ARG A 456 142.237 188.873 189.904 1.00 48.61 N +ATOM 6802 CA ARG A 456 141.174 189.661 189.293 1.00 45.29 C +ATOM 6803 C ARG A 456 140.405 190.431 190.360 1.00 39.45 C +ATOM 6804 O ARG A 456 140.037 191.585 190.154 1.00 46.19 O +ATOM 6805 CB ARG A 456 140.228 188.763 188.496 1.00 44.22 C +ATOM 6806 CG ARG A 456 140.842 188.216 187.220 1.00 47.22 C +ATOM 6807 CD ARG A 456 139.944 187.183 186.562 1.00 50.09 C +ATOM 6808 NE ARG A 456 140.552 186.630 185.355 1.00 57.63 N +ATOM 6809 CZ ARG A 456 139.987 185.708 184.582 1.00 46.44 C +ATOM 6810 NH1 ARG A 456 138.790 185.223 184.881 1.00 55.51 N +ATOM 6811 NH2 ARG A 456 140.621 185.270 183.505 1.00 53.11 N +ATOM 6812 H ARG A 456 142.098 188.024 189.889 1.00 58.34 H +ATOM 6813 HA ARG A 456 141.566 190.304 188.682 1.00 54.34 H +ATOM 6814 HB2 ARG A 456 139.971 188.009 189.050 1.00 53.07 H +ATOM 6815 HB3 ARG A 456 139.442 189.276 188.252 1.00 53.07 H +ATOM 6816 HG2 ARG A 456 140.978 188.944 186.593 1.00 56.67 H +ATOM 6817 HG3 ARG A 456 141.689 187.792 187.430 1.00 56.67 H +ATOM 6818 HD2 ARG A 456 139.786 186.455 187.184 1.00 60.11 H +ATOM 6819 HD3 ARG A 456 139.104 187.601 186.315 1.00 60.11 H +ATOM 6820 HE ARG A 456 141.329 186.920 185.129 1.00 69.16 H +ATOM 6821 HH11 ARG A 456 138.375 185.504 185.580 1.00 66.62 H +ATOM 6822 HH12 ARG A 456 138.430 184.627 184.378 1.00 66.62 H +ATOM 6823 HH21 ARG A 456 141.397 185.581 183.306 1.00 63.73 H +ATOM 6824 HH22 ARG A 456 140.256 184.673 183.004 1.00 63.73 H +ATOM 6825 N GLN A 457 140.166 189.785 191.499 1.00 36.14 N +ATOM 6826 CA GLN A 457 139.550 190.452 192.643 1.00 37.96 C +ATOM 6827 C GLN A 457 140.365 191.675 193.043 1.00 38.09 C +ATOM 6828 O GLN A 457 139.815 192.735 193.331 1.00 37.59 O +ATOM 6829 CB GLN A 457 139.435 189.503 193.838 1.00 44.96 C +ATOM 6830 CG GLN A 457 138.496 188.327 193.641 1.00 57.08 C +ATOM 6831 CD GLN A 457 138.485 187.395 194.837 1.00 64.19 C +ATOM 6832 OE1 GLN A 457 138.420 187.839 195.983 1.00 59.33 O +ATOM 6833 NE2 GLN A 457 138.561 186.095 194.578 1.00 57.38 N +ATOM 6834 H GLN A 457 140.351 188.956 191.635 1.00 43.37 H +ATOM 6835 HA GLN A 457 138.659 190.746 192.401 1.00 45.56 H +ATOM 6836 HB2 GLN A 457 140.315 189.144 194.033 1.00 53.96 H +ATOM 6837 HB3 GLN A 457 139.114 190.008 194.602 1.00 53.96 H +ATOM 6838 HG2 GLN A 457 137.594 188.659 193.509 1.00 68.49 H +ATOM 6839 HG3 GLN A 457 138.782 187.819 192.866 1.00 68.49 H +ATOM 6840 HE21 GLN A 457 138.612 185.821 193.764 1.00 68.86 H +ATOM 6841 HE22 GLN A 457 138.558 185.526 195.223 1.00 68.86 H +ATOM 6842 N MET A 458 141.685 191.514 193.056 1.00 35.65 N +ATOM 6843 CA MET A 458 142.588 192.584 193.453 1.00 37.17 C +ATOM 6844 C MET A 458 142.886 193.538 192.295 1.00 39.07 C +ATOM 6845 O MET A 458 143.617 194.512 192.463 1.00 41.93 O +ATOM 6846 CB MET A 458 143.888 191.991 194.003 1.00 46.75 C +ATOM 6847 CG MET A 458 143.715 191.283 195.344 1.00 38.25 C +ATOM 6848 SD MET A 458 145.245 190.607 196.022 1.00 45.80 S +ATOM 6849 CE MET A 458 145.727 189.454 194.738 1.00 45.15 C +ATOM 6850 H MET A 458 142.085 190.785 192.835 1.00 42.77 H +ATOM 6851 HA MET A 458 142.171 193.089 194.169 1.00 44.60 H +ATOM 6852 HB2 MET A 458 144.231 191.344 193.367 1.00 56.10 H +ATOM 6853 HB3 MET A 458 144.532 192.706 194.125 1.00 56.10 H +ATOM 6854 HG2 MET A 458 143.361 191.917 195.987 1.00 45.90 H +ATOM 6855 HG3 MET A 458 143.092 190.548 195.230 1.00 45.90 H +ATOM 6856 HE1 MET A 458 146.555 189.021 194.998 1.00 54.18 H +ATOM 6857 HE2 MET A 458 145.026 188.792 194.630 1.00 54.18 H +ATOM 6858 HE3 MET A 458 145.854 189.941 193.909 1.00 54.18 H +ATOM 6859 N LYS A 459 142.323 193.248 191.125 1.00 38.19 N +ATOM 6860 CA LYS A 459 142.418 194.136 189.966 1.00 40.56 C +ATOM 6861 C LYS A 459 143.858 194.401 189.528 1.00 33.62 C +ATOM 6862 O LYS A 459 144.297 195.548 189.469 1.00 34.87 O +ATOM 6863 CB LYS A 459 141.720 195.465 190.267 1.00 43.31 C +ATOM 6864 CG LYS A 459 140.248 195.317 190.624 1.00 56.95 C +ATOM 6865 CD LYS A 459 139.622 196.645 191.016 1.00 71.35 C +ATOM 6866 CE LYS A 459 140.206 197.182 192.314 1.00 80.01 C +ATOM 6867 NZ LYS A 459 139.515 198.416 192.770 1.00 88.50 N +ATOM 6868 H LYS A 459 141.874 192.531 190.973 1.00 45.83 H +ATOM 6869 HA LYS A 459 141.955 193.723 189.220 1.00 48.67 H +ATOM 6870 HB2 LYS A 459 142.166 195.890 191.016 1.00 51.98 H +ATOM 6871 HB3 LYS A 459 141.780 196.034 189.483 1.00 51.98 H +ATOM 6872 HG2 LYS A 459 139.767 194.971 189.856 1.00 68.35 H +ATOM 6873 HG3 LYS A 459 140.162 194.708 191.374 1.00 68.35 H +ATOM 6874 HD2 LYS A 459 139.788 197.296 190.317 1.00 85.62 H +ATOM 6875 HD3 LYS A 459 138.667 196.524 191.141 1.00 85.62 H +ATOM 6876 HE2 LYS A 459 140.112 196.510 193.007 1.00 96.02 H +ATOM 6877 HE3 LYS A 459 141.143 197.393 192.178 1.00 96.02 H +ATOM 6878 HZ1 LYS A 459 139.591 199.052 192.152 1.00106.20 H +ATOM 6879 HZ2 LYS A 459 138.652 198.248 192.908 1.00106.20 H +ATOM 6880 HZ3 LYS A 459 139.879 198.704 193.529 1.00106.20 H +ATOM 6881 N TYR A 460 144.585 193.335 189.218 1.00 39.98 N +ATOM 6882 CA TYR A 460 145.938 193.455 188.689 1.00 39.50 C +ATOM 6883 C TYR A 460 145.940 194.051 187.287 1.00 39.47 C +ATOM 6884 O TYR A 460 145.080 193.730 186.466 1.00 43.39 O +ATOM 6885 CB TYR A 460 146.625 192.090 188.644 1.00 39.34 C +ATOM 6886 CG TYR A 460 147.188 191.597 189.955 1.00 35.31 C +ATOM 6887 CD1 TYR A 460 146.772 192.127 191.167 1.00 37.37 C +ATOM 6888 CD2 TYR A 460 148.148 190.598 189.973 1.00 36.54 C +ATOM 6889 CE1 TYR A 460 147.295 191.668 192.357 1.00 35.18 C +ATOM 6890 CE2 TYR A 460 148.675 190.137 191.154 1.00 35.68 C +ATOM 6891 CZ TYR A 460 148.247 190.673 192.344 1.00 36.77 C +ATOM 6892 OH TYR A 460 148.774 190.209 193.524 1.00 34.80 O +ATOM 6893 H TYR A 460 144.316 192.523 189.305 1.00 47.98 H +ATOM 6894 HA TYR A 460 146.456 194.037 189.267 1.00 47.41 H +ATOM 6895 HB2 TYR A 460 145.979 191.433 188.340 1.00 47.21 H +ATOM 6896 HB3 TYR A 460 147.359 192.138 188.012 1.00 47.21 H +ATOM 6897 HD1 TYR A 460 146.129 192.798 191.178 1.00 44.85 H +ATOM 6898 HD2 TYR A 460 148.440 190.232 189.170 1.00 43.84 H +ATOM 6899 HE1 TYR A 460 147.007 192.030 193.164 1.00 42.21 H +ATOM 6900 HE2 TYR A 460 149.317 189.464 191.148 1.00 42.82 H +ATOM 6901 HH TYR A 460 149.340 189.607 193.369 1.00 41.76 H +ATOM 6902 N GLN A 461 146.919 194.905 187.007 1.00 35.44 N +ATOM 6903 CA GLN A 461 147.143 195.363 185.643 1.00 34.39 C +ATOM 6904 C GLN A 461 147.628 194.191 184.792 1.00 42.83 C +ATOM 6905 O GLN A 461 147.908 193.111 185.311 1.00 40.40 O +ATOM 6906 CB GLN A 461 148.155 196.508 185.603 1.00 32.54 C +ATOM 6907 CG GLN A 461 147.629 197.823 186.155 1.00 36.72 C +ATOM 6908 CD GLN A 461 148.563 198.985 185.880 1.00 38.07 C +ATOM 6909 OE1 GLN A 461 149.141 199.090 184.798 1.00 43.76 O +ATOM 6910 NE2 GLN A 461 148.717 199.864 186.861 1.00 36.85 N +ATOM 6911 H GLN A 461 147.464 195.233 187.586 1.00 42.52 H +ATOM 6912 HA GLN A 461 146.307 195.683 185.271 1.00 41.26 H +ATOM 6913 HB2 GLN A 461 148.930 196.256 186.129 1.00 39.05 H +ATOM 6914 HB3 GLN A 461 148.419 196.659 184.682 1.00 39.05 H +ATOM 6915 HG2 GLN A 461 146.774 198.020 185.741 1.00 44.07 H +ATOM 6916 HG3 GLN A 461 147.523 197.743 187.115 1.00 44.07 H +ATOM 6917 HE21 GLN A 461 148.297 199.758 187.604 1.00 44.22 H +ATOM 6918 HE22 GLN A 461 149.236 200.541 186.753 1.00 44.22 H +ATOM 6919 N SER A 462 147.728 194.404 183.485 1.00 49.44 N +ATOM 6920 CA SER A 462 148.094 193.328 182.572 1.00 48.37 C +ATOM 6921 C SER A 462 149.542 192.887 182.751 1.00 44.66 C +ATOM 6922 O SER A 462 150.327 193.533 183.446 1.00 43.51 O +ATOM 6923 CB SER A 462 147.870 193.760 181.126 1.00 51.32 C +ATOM 6924 OG SER A 462 148.862 194.682 180.720 1.00 48.71 O +ATOM 6925 H SER A 462 147.589 195.161 183.102 1.00 59.33 H +ATOM 6926 HA SER A 462 147.525 192.562 182.746 1.00 58.04 H +ATOM 6927 HB2 SER A 462 147.911 192.978 180.553 1.00 61.59 H +ATOM 6928 HB3 SER A 462 146.999 194.180 181.053 1.00 61.59 H +ATOM 6929 HG SER A 462 148.730 194.913 179.923 1.00 58.45 H +ATOM 6930 N PHE A 463 149.879 191.773 182.113 1.00 42.35 N +ATOM 6931 CA PHE A 463 151.227 191.227 182.144 1.00 37.25 C +ATOM 6932 C PHE A 463 152.242 192.197 181.551 1.00 46.01 C +ATOM 6933 O PHE A 463 153.357 192.324 182.054 1.00 41.35 O +ATOM 6934 CB PHE A 463 151.261 189.900 181.386 1.00 40.42 C +ATOM 6935 CG PHE A 463 152.619 189.268 181.315 1.00 46.12 C +ATOM 6936 CD1 PHE A 463 153.200 188.713 182.443 1.00 40.77 C +ATOM 6937 CD2 PHE A 463 153.305 189.207 180.113 1.00 50.49 C +ATOM 6938 CE1 PHE A 463 154.438 188.118 182.374 1.00 42.24 C +ATOM 6939 CE2 PHE A 463 154.548 188.614 180.041 1.00 46.72 C +ATOM 6940 CZ PHE A 463 155.117 188.069 181.172 1.00 49.33 C +ATOM 6941 H PHE A 463 149.330 191.305 181.644 1.00 50.82 H +ATOM 6942 HA PHE A 463 151.478 191.054 183.065 1.00 44.70 H +ATOM 6943 HB2 PHE A 463 150.666 189.274 181.828 1.00 48.51 H +ATOM 6944 HB3 PHE A 463 150.959 190.053 180.477 1.00 48.51 H +ATOM 6945 HD1 PHE A 463 152.747 188.742 183.255 1.00 48.93 H +ATOM 6946 HD2 PHE A 463 152.924 189.572 179.348 1.00 60.59 H +ATOM 6947 HE1 PHE A 463 154.821 187.753 183.139 1.00 50.69 H +ATOM 6948 HE2 PHE A 463 155.002 188.582 179.229 1.00 56.06 H +ATOM 6949 HZ PHE A 463 155.956 187.670 181.126 1.00 59.19 H +ATOM 6950 N ASN A 464 151.854 192.881 180.479 1.00 45.66 N +ATOM 6951 CA ASN A 464 152.758 193.807 179.807 1.00 48.20 C +ATOM 6952 C ASN A 464 152.976 195.090 180.600 1.00 48.46 C +ATOM 6953 O ASN A 464 154.028 195.713 180.487 1.00 44.33 O +ATOM 6954 CB ASN A 464 152.234 194.150 178.406 1.00 66.61 C +ATOM 6955 CG ASN A 464 152.844 193.279 177.313 1.00 50.81 C +ATOM 6956 OD1 ASN A 464 153.853 192.606 177.520 1.00 42.96 O +ATOM 6957 ND2 ASN A 464 152.234 193.307 176.132 1.00 75.97 N +ATOM 6958 H ASN A 464 151.073 192.827 180.123 1.00 54.79 H +ATOM 6959 HA ASN A 464 153.620 193.376 179.701 1.00 57.84 H +ATOM 6960 HB2 ASN A 464 151.273 194.022 178.389 1.00 79.93 H +ATOM 6961 HB3 ASN A 464 152.449 195.074 178.207 1.00 79.93 H +ATOM 6962 HD21 ASN A 464 152.536 192.834 175.480 1.00 91.16 H +ATOM 6963 HD22 ASN A 464 151.536 193.797 176.020 1.00 91.16 H +ATOM 6964 N GLU A 465 151.990 195.493 181.394 1.00 46.38 N +ATOM 6965 CA GLU A 465 152.154 196.667 182.242 1.00 41.90 C +ATOM 6966 C GLU A 465 153.198 196.383 183.313 1.00 45.75 C +ATOM 6967 O GLU A 465 153.968 197.266 183.692 1.00 43.43 O +ATOM 6968 CB GLU A 465 150.827 197.075 182.891 1.00 41.22 C +ATOM 6969 CG GLU A 465 149.797 197.647 181.921 1.00 48.81 C +ATOM 6970 CD GLU A 465 150.335 198.806 181.103 1.00 54.57 C +ATOM 6971 OE1 GLU A 465 150.740 199.824 181.697 1.00 48.23 O +ATOM 6972 OE2 GLU A 465 150.360 198.692 179.860 1.00 73.78 O +ATOM 6973 H GLU A 465 151.224 195.109 181.460 1.00 55.65 H +ATOM 6974 HA GLU A 465 152.468 197.409 181.702 1.00 50.28 H +ATOM 6975 HB2 GLU A 465 150.434 196.294 183.310 1.00 49.46 H +ATOM 6976 HB3 GLU A 465 151.006 197.752 183.563 1.00 49.46 H +ATOM 6977 HG2 GLU A 465 149.520 196.950 181.306 1.00 58.57 H +ATOM 6978 HG3 GLU A 465 149.032 197.967 182.425 1.00 58.57 H +ATOM 6979 N TYR A 466 153.226 195.142 183.788 1.00 44.10 N +ATOM 6980 CA TYR A 466 154.187 194.737 184.803 1.00 43.13 C +ATOM 6981 C TYR A 466 155.576 194.556 184.205 1.00 45.68 C +ATOM 6982 O TYR A 466 156.581 194.726 184.896 1.00 44.69 O +ATOM 6983 CB TYR A 466 153.728 193.450 185.494 1.00 39.61 C +ATOM 6984 CG TYR A 466 152.782 193.724 186.637 1.00 43.88 C +ATOM 6985 CD1 TYR A 466 153.252 194.259 187.826 1.00 33.24 C +ATOM 6986 CD2 TYR A 466 151.421 193.474 186.521 1.00 41.94 C +ATOM 6987 CE1 TYR A 466 152.399 194.531 188.865 1.00 37.87 C +ATOM 6988 CE2 TYR A 466 150.559 193.741 187.563 1.00 37.24 C +ATOM 6989 CZ TYR A 466 151.055 194.269 188.734 1.00 38.53 C +ATOM 6990 OH TYR A 466 150.210 194.540 189.781 1.00 34.25 O +ATOM 6991 H TYR A 466 152.695 194.514 183.537 1.00 52.92 H +ATOM 6992 HA TYR A 466 154.243 195.433 185.477 1.00 51.76 H +ATOM 6993 HB2 TYR A 466 153.268 192.890 184.849 1.00 47.53 H +ATOM 6994 HB3 TYR A 466 154.502 192.986 185.848 1.00 47.53 H +ATOM 6995 HD1 TYR A 466 154.159 194.440 187.920 1.00 39.88 H +ATOM 6996 HD2 TYR A 466 151.086 193.119 185.729 1.00 50.33 H +ATOM 6997 HE1 TYR A 466 152.730 194.885 189.659 1.00 45.44 H +ATOM 6998 HE2 TYR A 466 149.650 193.566 187.475 1.00 44.69 H +ATOM 6999 HH TYR A 466 150.645 194.856 190.426 1.00 41.11 H +ATOM 7000 N ARG A 467 155.632 194.214 182.921 1.00 49.90 N +ATOM 7001 CA ARG A 467 156.904 194.160 182.213 1.00 44.48 C +ATOM 7002 C ARG A 467 157.540 195.544 182.213 1.00 47.33 C +ATOM 7003 O ARG A 467 158.692 195.709 182.616 1.00 49.15 O +ATOM 7004 CB ARG A 467 156.718 193.672 180.775 1.00 46.92 C +ATOM 7005 CG ARG A 467 156.170 192.251 180.644 1.00 58.31 C +ATOM 7006 CD ARG A 467 157.259 191.219 180.384 1.00 52.03 C +ATOM 7007 NE ARG A 467 158.124 191.576 179.262 1.00 49.18 N +ATOM 7008 CZ ARG A 467 159.230 190.916 178.932 1.00 52.88 C +ATOM 7009 NH1 ARG A 467 159.958 191.316 177.901 1.00 51.13 N +ATOM 7010 NH2 ARG A 467 159.612 189.856 179.631 1.00 51.70 N +ATOM 7011 H ARG A 467 154.950 194.010 182.440 1.00 59.89 H +ATOM 7012 HA ARG A 467 157.501 193.548 182.669 1.00 53.37 H +ATOM 7013 HB2 ARG A 467 156.098 194.267 180.324 1.00 56.31 H +ATOM 7014 HB3 ARG A 467 157.578 193.697 180.327 1.00 56.31 H +ATOM 7015 HG2 ARG A 467 155.719 192.010 181.468 1.00 69.97 H +ATOM 7016 HG3 ARG A 467 155.545 192.221 179.903 1.00 69.97 H +ATOM 7017 HD2 ARG A 467 157.813 191.139 181.176 1.00 62.44 H +ATOM 7018 HD3 ARG A 467 156.843 190.366 180.182 1.00 62.44 H +ATOM 7019 HE ARG A 467 157.904 192.256 178.785 1.00 59.02 H +ATOM 7020 HH11 ARG A 467 159.714 192.002 177.443 1.00 61.36 H +ATOM 7021 HH12 ARG A 467 160.671 190.887 177.687 1.00 61.36 H +ATOM 7022 HH21 ARG A 467 159.145 189.593 180.303 1.00 62.04 H +ATOM 7023 HH22 ARG A 467 160.328 189.433 179.413 1.00 62.04 H +ATOM 7024 N LYS A 468 156.775 196.536 181.765 1.00 50.52 N +ATOM 7025 CA LYS A 468 157.262 197.907 181.675 1.00 55.99 C +ATOM 7026 C LYS A 468 157.663 198.440 183.048 1.00 51.60 C +ATOM 7027 O LYS A 468 158.624 199.198 183.169 1.00 49.13 O +ATOM 7028 CB LYS A 468 156.198 198.815 181.046 1.00 50.85 C +ATOM 7029 CG LYS A 468 155.865 198.467 179.599 1.00 53.99 C +ATOM 7030 CD LYS A 468 155.104 199.583 178.889 1.00 59.30 C +ATOM 7031 CE LYS A 468 153.623 199.585 179.238 1.00 65.85 C +ATOM 7032 NZ LYS A 468 152.872 200.603 178.446 1.00 69.89 N +ATOM 7033 H LYS A 468 155.962 196.438 181.504 1.00 60.63 H +ATOM 7034 HA LYS A 468 158.047 197.927 181.106 1.00 67.19 H +ATOM 7035 HB2 LYS A 468 155.381 198.743 181.563 1.00 61.02 H +ATOM 7036 HB3 LYS A 468 156.519 199.730 181.064 1.00 61.02 H +ATOM 7037 HG2 LYS A 468 156.690 198.309 179.113 1.00 64.79 H +ATOM 7038 HG3 LYS A 468 155.313 197.669 179.584 1.00 64.79 H +ATOM 7039 HD2 LYS A 468 155.477 200.438 179.152 1.00 71.16 H +ATOM 7040 HD3 LYS A 468 155.187 199.464 177.930 1.00 71.16 H +ATOM 7041 HE2 LYS A 468 153.248 198.712 179.043 1.00 79.02 H +ATOM 7042 HE3 LYS A 468 153.517 199.794 180.179 1.00 79.02 H +ATOM 7043 HZ1 LYS A 468 152.010 200.584 178.668 1.00 83.87 H +ATOM 7044 HZ2 LYS A 468 153.196 201.415 178.611 1.00 83.87 H +ATOM 7045 HZ3 LYS A 468 152.951 200.430 177.577 1.00 83.87 H +ATOM 7046 N ARG A 469 156.927 198.033 184.077 1.00 51.62 N +ATOM 7047 CA ARG A 469 157.186 198.491 185.439 1.00 50.43 C +ATOM 7048 C ARG A 469 158.562 198.046 185.927 1.00 45.13 C +ATOM 7049 O ARG A 469 159.181 198.715 186.750 1.00 40.69 O +ATOM 7050 CB ARG A 469 156.099 197.975 186.384 1.00 52.71 C +ATOM 7051 CG ARG A 469 156.379 198.178 187.872 1.00 51.61 C +ATOM 7052 CD ARG A 469 156.569 199.643 188.238 1.00 47.65 C +ATOM 7053 NE ARG A 469 156.641 199.823 189.684 1.00 45.34 N +ATOM 7054 CZ ARG A 469 157.738 199.643 190.414 1.00 53.44 C +ATOM 7055 NH1 ARG A 469 158.879 199.277 189.842 1.00 46.59 N +ATOM 7056 NH2 ARG A 469 157.695 199.829 191.726 1.00 54.31 N +ATOM 7057 H ARG A 469 156.265 197.487 184.012 1.00 61.94 H +ATOM 7058 HA ARG A 469 157.162 199.461 185.456 1.00 60.51 H +ATOM 7059 HB2 ARG A 469 155.269 198.434 186.178 1.00 63.25 H +ATOM 7060 HB3 ARG A 469 155.988 197.023 186.235 1.00 63.25 H +ATOM 7061 HG2 ARG A 469 155.630 197.835 188.385 1.00 61.94 H +ATOM 7062 HG3 ARG A 469 157.190 197.702 188.109 1.00 61.94 H +ATOM 7063 HD2 ARG A 469 157.396 199.966 187.849 1.00 57.18 H +ATOM 7064 HD3 ARG A 469 155.817 200.157 187.904 1.00 57.18 H +ATOM 7065 HE ARG A 469 155.924 200.063 190.093 1.00 54.40 H +ATOM 7066 HH11 ARG A 469 158.913 199.153 188.992 1.00 55.91 H +ATOM 7067 HH12 ARG A 469 159.583 199.163 190.322 1.00 55.91 H +ATOM 7068 HH21 ARG A 469 156.959 200.067 192.103 1.00 65.17 H +ATOM 7069 HH22 ARG A 469 158.403 199.715 192.201 1.00 65.17 H +ATOM 7070 N PHE A 470 159.035 196.917 185.414 1.00 45.61 N +ATOM 7071 CA PHE A 470 160.348 196.400 185.782 1.00 42.10 C +ATOM 7072 C PHE A 470 161.305 196.473 184.592 1.00 48.28 C +ATOM 7073 O PHE A 470 162.208 195.649 184.444 1.00 33.12 O +ATOM 7074 CB PHE A 470 160.214 194.978 186.325 1.00 41.40 C +ATOM 7075 CG PHE A 470 159.578 194.926 187.685 1.00 48.45 C +ATOM 7076 CD1 PHE A 470 158.206 194.803 187.821 1.00 46.45 C +ATOM 7077 CD2 PHE A 470 160.351 195.038 188.829 1.00 44.23 C +ATOM 7078 CE1 PHE A 470 157.620 194.772 189.069 1.00 39.17 C +ATOM 7079 CE2 PHE A 470 159.770 195.007 190.079 1.00 47.05 C +ATOM 7080 CZ PHE A 470 158.402 194.875 190.199 1.00 43.99 C +ATOM 7081 H PHE A 470 158.613 196.428 184.846 1.00 54.74 H +ATOM 7082 HA PHE A 470 160.714 196.954 186.490 1.00 50.52 H +ATOM 7083 HB2 PHE A 470 159.665 194.459 185.718 1.00 49.67 H +ATOM 7084 HB3 PHE A 470 161.097 194.582 186.393 1.00 49.67 H +ATOM 7085 HD1 PHE A 470 157.673 194.733 187.061 1.00 55.74 H +ATOM 7086 HD2 PHE A 470 161.273 195.128 188.753 1.00 53.08 H +ATOM 7087 HE1 PHE A 470 156.698 194.682 189.148 1.00 47.00 H +ATOM 7088 HE2 PHE A 470 160.300 195.076 190.840 1.00 56.46 H +ATOM 7089 HZ PHE A 470 158.008 194.852 191.042 1.00 52.79 H +ATOM 7090 N MET A 471 161.086 197.487 183.757 1.00 53.56 N +ATOM 7091 CA MET A 471 162.016 197.869 182.696 1.00 49.10 C +ATOM 7092 C MET A 471 162.267 196.752 181.686 1.00 37.88 C +ATOM 7093 O MET A 471 163.402 196.524 181.266 1.00 46.82 O +ATOM 7094 CB MET A 471 163.341 198.332 183.308 1.00 44.11 C +ATOM 7095 CG MET A 471 163.228 199.645 184.076 1.00 40.71 C +ATOM 7096 SD MET A 471 164.792 200.214 184.775 1.00 58.75 S +ATOM 7097 CE MET A 471 165.791 200.406 183.300 1.00 96.41 C +ATOM 7098 H MET A 471 160.384 197.984 183.787 1.00 64.27 H +ATOM 7099 HA MET A 471 161.639 198.626 182.221 1.00 58.92 H +ATOM 7100 HB2 MET A 471 163.656 197.653 183.924 1.00 52.93 H +ATOM 7101 HB3 MET A 471 163.988 198.458 182.597 1.00 52.93 H +ATOM 7102 HG2 MET A 471 162.904 200.333 183.474 1.00 48.85 H +ATOM 7103 HG3 MET A 471 162.602 199.526 184.807 1.00 48.85 H +ATOM 7104 HE1 MET A 471 166.674 200.715 183.555 1.00115.69 H +ATOM 7105 HE2 MET A 471 165.857 199.549 182.850 1.00115.69 H +ATOM 7106 HE3 MET A 471 165.369 201.056 182.716 1.00115.69 H +ATOM 7107 N LEU A 472 161.197 196.070 181.292 1.00 38.02 N +ATOM 7108 CA LEU A 472 161.263 195.076 180.228 1.00 46.20 C +ATOM 7109 C LEU A 472 160.447 195.538 179.029 1.00 41.11 C +ATOM 7110 O LEU A 472 159.442 196.230 179.181 1.00 41.48 O +ATOM 7111 CB LEU A 472 160.749 193.720 180.714 1.00 44.25 C +ATOM 7112 CG LEU A 472 161.305 193.215 182.047 1.00 44.86 C +ATOM 7113 CD1 LEU A 472 160.645 191.897 182.415 1.00 42.68 C +ATOM 7114 CD2 LEU A 472 162.815 193.067 181.984 1.00 42.65 C +ATOM 7115 H LEU A 472 160.413 196.166 181.630 1.00 45.62 H +ATOM 7116 HA LEU A 472 162.185 194.969 179.946 1.00 55.44 H +ATOM 7117 HB2 LEU A 472 159.786 193.777 180.808 1.00 53.10 H +ATOM 7118 HB3 LEU A 472 160.967 193.055 180.042 1.00 53.10 H +ATOM 7119 HG LEU A 472 161.096 193.859 182.741 1.00 53.83 H +ATOM 7120 HD11 LEU A 472 161.006 191.588 183.260 1.00 51.22 H +ATOM 7121 HD12 LEU A 472 159.688 192.034 182.494 1.00 51.22 H +ATOM 7122 HD13 LEU A 472 160.830 191.246 181.719 1.00 51.22 H +ATOM 7123 HD21 LEU A 472 163.137 192.746 182.841 1.00 51.18 H +ATOM 7124 HD22 LEU A 472 163.041 192.432 181.286 1.00 51.18 H +ATOM 7125 HD23 LEU A 472 163.209 193.931 181.785 1.00 51.18 H +ATOM 7126 N LYS A 473 160.892 195.157 177.839 1.00 48.65 N +ATOM 7127 CA LYS A 473 160.140 195.424 176.621 1.00 46.11 C +ATOM 7128 C LYS A 473 158.836 194.626 176.651 1.00 44.14 C +ATOM 7129 O LYS A 473 158.860 193.419 176.882 1.00 47.74 O +ATOM 7130 CB LYS A 473 160.965 195.045 175.388 1.00 48.76 C +ATOM 7131 CG LYS A 473 160.853 196.019 174.228 1.00 63.34 C +ATOM 7132 CD LYS A 473 161.819 195.655 173.106 1.00 83.26 C +ATOM 7133 CE LYS A 473 161.395 194.389 172.370 1.00 85.59 C +ATOM 7134 NZ LYS A 473 160.147 194.589 171.583 1.00 90.25 N +ATOM 7135 H LYS A 473 161.633 194.740 177.708 1.00 58.38 H +ATOM 7136 HA LYS A 473 159.924 196.368 176.571 1.00 55.33 H +ATOM 7137 HB2 LYS A 473 161.900 194.998 175.644 1.00 58.51 H +ATOM 7138 HB3 LYS A 473 160.670 194.177 175.073 1.00 58.51 H +ATOM 7139 HG2 LYS A 473 159.951 195.994 173.873 1.00 76.01 H +ATOM 7140 HG3 LYS A 473 161.069 196.913 174.537 1.00 76.01 H +ATOM 7141 HD2 LYS A 473 161.850 196.381 172.464 1.00 99.91 H +ATOM 7142 HD3 LYS A 473 162.701 195.504 173.481 1.00 99.91 H +ATOM 7143 HE2 LYS A 473 162.099 194.126 171.758 1.00102.71 H +ATOM 7144 HE3 LYS A 473 161.234 193.684 173.017 1.00102.71 H +ATOM 7145 HZ1 LYS A 473 159.926 193.834 171.166 1.00108.30 H +ATOM 7146 HZ2 LYS A 473 159.481 194.826 172.124 1.00108.30 H +ATOM 7147 HZ3 LYS A 473 160.269 195.229 170.976 1.00108.30 H +ATOM 7148 N PRO A 474 157.687 195.289 176.440 1.00 43.30 N +ATOM 7149 CA PRO A 474 156.452 194.496 176.378 1.00 46.42 C +ATOM 7150 C PRO A 474 156.434 193.546 175.183 1.00 55.34 C +ATOM 7151 O PRO A 474 157.036 193.845 174.153 1.00 73.51 O +ATOM 7152 CB PRO A 474 155.352 195.558 176.256 1.00 45.47 C +ATOM 7153 CG PRO A 474 156.043 196.797 175.795 1.00 46.16 C +ATOM 7154 CD PRO A 474 157.423 196.735 176.355 1.00 43.61 C +ATOM 7155 HA PRO A 474 156.329 193.992 177.198 1.00 55.71 H +ATOM 7156 HB2 PRO A 474 154.693 195.271 175.605 1.00 54.56 H +ATOM 7157 HB3 PRO A 474 154.938 195.699 177.122 1.00 54.56 H +ATOM 7158 HG2 PRO A 474 156.069 196.811 174.826 1.00 55.39 H +ATOM 7159 HG3 PRO A 474 155.573 197.575 176.134 1.00 55.39 H +ATOM 7160 HD2 PRO A 474 158.053 197.159 175.751 1.00 52.34 H +ATOM 7161 HD3 PRO A 474 157.449 197.137 177.238 1.00 52.34 H +ATOM 7162 N TYR A 475 155.759 192.411 175.328 1.00 63.33 N +ATOM 7163 CA TYR A 475 155.658 191.438 174.245 1.00 68.94 C +ATOM 7164 C TYR A 475 154.663 191.913 173.190 1.00 80.49 C +ATOM 7165 O TYR A 475 153.557 192.344 173.517 1.00 67.83 O +ATOM 7166 CB TYR A 475 155.245 190.068 174.788 1.00 62.75 C +ATOM 7167 CG TYR A 475 156.361 189.326 175.494 1.00 65.60 C +ATOM 7168 CD1 TYR A 475 157.435 188.815 174.782 1.00 68.10 C +ATOM 7169 CD2 TYR A 475 156.333 189.128 176.868 1.00 69.61 C +ATOM 7170 CE1 TYR A 475 158.456 188.134 175.417 1.00 72.61 C +ATOM 7171 CE2 TYR A 475 157.352 188.446 177.513 1.00 66.78 C +ATOM 7172 CZ TYR A 475 158.410 187.952 176.781 1.00 68.64 C +ATOM 7173 OH TYR A 475 159.426 187.273 177.413 1.00 66.12 O +ATOM 7174 H TYR A 475 155.348 192.179 176.047 1.00 75.99 H +ATOM 7175 HA TYR A 475 156.525 191.345 173.821 1.00 82.73 H +ATOM 7176 HB2 TYR A 475 154.522 190.189 175.423 1.00 75.30 H +ATOM 7177 HB3 TYR A 475 154.945 189.517 174.049 1.00 75.30 H +ATOM 7178 HD1 TYR A 475 157.471 188.936 173.860 1.00 81.72 H +ATOM 7179 HD2 TYR A 475 155.621 189.461 177.364 1.00 83.54 H +ATOM 7180 HE1 TYR A 475 159.171 187.799 174.925 1.00 87.14 H +ATOM 7181 HE2 TYR A 475 157.322 188.323 178.434 1.00 80.13 H +ATOM 7182 HH TYR A 475 159.275 187.234 178.239 1.00 79.35 H +ATOM 7183 N GLU A 476 155.064 191.826 171.925 1.00 96.52 N +ATOM 7184 CA GLU A 476 154.254 192.328 170.817 1.00 81.91 C +ATOM 7185 C GLU A 476 153.341 191.260 170.220 1.00 62.40 C +ATOM 7186 O GLU A 476 152.556 191.548 169.316 1.00 62.06 O +ATOM 7187 CB GLU A 476 155.160 192.897 169.723 1.00 77.13 C +ATOM 7188 CG GLU A 476 155.922 194.144 170.141 1.00 85.04 C +ATOM 7189 CD GLU A 476 156.911 194.603 169.091 1.00 95.13 C +ATOM 7190 OE1 GLU A 476 156.614 194.459 167.887 1.00100.38 O +ATOM 7191 OE2 GLU A 476 157.990 195.105 169.469 1.00 95.00 O +ATOM 7192 H GLU A 476 155.810 191.476 171.679 1.00115.83 H +ATOM 7193 HA GLU A 476 153.693 193.049 171.143 1.00 98.29 H +ATOM 7194 HB2 GLU A 476 155.810 192.222 169.473 1.00 92.56 H +ATOM 7195 HB3 GLU A 476 154.614 193.128 168.955 1.00 92.56 H +ATOM 7196 HG2 GLU A 476 155.290 194.864 170.295 1.00102.05 H +ATOM 7197 HG3 GLU A 476 156.414 193.955 170.955 1.00102.05 H +ATOM 7198 N SER A 477 153.442 190.032 170.716 1.00 64.39 N +ATOM 7199 CA SER A 477 152.598 188.948 170.224 1.00 66.39 C +ATOM 7200 C SER A 477 152.624 187.753 171.167 1.00 63.44 C +ATOM 7201 O SER A 477 153.504 187.636 172.018 1.00 66.84 O +ATOM 7202 CB SER A 477 153.043 188.509 168.829 1.00 66.78 C +ATOM 7203 OG SER A 477 154.242 187.758 168.893 1.00 65.61 O +ATOM 7204 H SER A 477 153.990 189.800 171.337 1.00 77.26 H +ATOM 7205 HA SER A 477 151.683 189.262 170.163 1.00 79.66 H +ATOM 7206 HB2 SER A 477 152.347 187.961 168.433 1.00 80.13 H +ATOM 7207 HB3 SER A 477 153.194 189.298 168.284 1.00 80.13 H +ATOM 7208 HG SER A 477 154.475 187.523 168.121 1.00 78.73 H +ATOM 7209 N PHE A 478 151.652 186.864 171.000 1.00 59.43 N +ATOM 7210 CA PHE A 478 151.540 185.678 171.836 1.00 58.05 C +ATOM 7211 C PHE A 478 152.661 184.692 171.539 1.00 58.38 C +ATOM 7212 O PHE A 478 153.026 183.880 172.388 1.00 69.60 O +ATOM 7213 CB PHE A 478 150.181 185.010 171.625 1.00 58.33 C +ATOM 7214 CG PHE A 478 149.016 185.918 171.889 1.00 70.76 C +ATOM 7215 CD1 PHE A 478 148.429 185.965 173.141 1.00 62.96 C +ATOM 7216 CD2 PHE A 478 148.513 186.731 170.886 1.00 69.70 C +ATOM 7217 CE1 PHE A 478 147.358 186.801 173.388 1.00 73.88 C +ATOM 7218 CE2 PHE A 478 147.442 187.569 171.128 1.00 71.25 C +ATOM 7219 CZ PHE A 478 146.866 187.604 172.381 1.00 77.41 C +ATOM 7220 H PHE A 478 151.038 186.926 170.401 1.00 71.32 H +ATOM 7221 HA PHE A 478 151.606 185.939 172.768 1.00 69.66 H +ATOM 7222 HB2 PHE A 478 150.120 184.708 170.705 1.00 69.99 H +ATOM 7223 HB3 PHE A 478 150.108 184.251 172.226 1.00 69.99 H +ATOM 7224 HD1 PHE A 478 148.757 185.425 173.823 1.00 75.55 H +ATOM 7225 HD2 PHE A 478 148.899 186.710 170.040 1.00 83.64 H +ATOM 7226 HE1 PHE A 478 146.971 186.823 174.233 1.00 88.65 H +ATOM 7227 HE2 PHE A 478 147.111 188.110 170.448 1.00 85.51 H +ATOM 7228 HZ PHE A 478 146.144 188.168 172.547 1.00 92.89 H +ATOM 7229 N GLU A 479 153.208 184.773 170.331 1.00 67.36 N +ATOM 7230 CA GLU A 479 154.262 183.860 169.904 1.00 73.07 C +ATOM 7231 C GLU A 479 155.609 184.287 170.475 1.00 69.28 C +ATOM 7232 O GLU A 479 156.420 183.448 170.868 1.00 61.65 O +ATOM 7233 CB GLU A 479 154.322 183.798 168.376 1.00 83.31 C +ATOM 7234 CG GLU A 479 154.365 182.385 167.820 1.00 86.66 C +ATOM 7235 CD GLU A 479 153.917 182.311 166.374 1.00 87.21 C +ATOM 7236 OE1 GLU A 479 152.741 181.965 166.137 1.00 87.07 O +ATOM 7237 OE2 GLU A 479 154.739 182.595 165.477 1.00 88.99 O +ATOM 7238 H GLU A 479 152.985 185.351 169.736 1.00 80.84 H +ATOM 7239 HA GLU A 479 154.063 182.970 170.234 1.00 87.69 H +ATOM 7240 HB2 GLU A 479 153.535 184.235 168.015 1.00 99.98 H +ATOM 7241 HB3 GLU A 479 155.120 184.259 168.076 1.00 99.98 H +ATOM 7242 HG2 GLU A 479 155.275 182.053 167.870 1.00104.00 H +ATOM 7243 HG3 GLU A 479 153.776 181.821 168.346 1.00104.00 H +ATOM 7244 N GLU A 480 155.842 185.594 170.520 1.00 72.39 N +ATOM 7245 CA GLU A 480 157.051 186.136 171.129 1.00 72.89 C +ATOM 7246 C GLU A 480 157.093 185.782 172.611 1.00 71.08 C +ATOM 7247 O GLU A 480 158.159 185.538 173.174 1.00 60.40 O +ATOM 7248 CB GLU A 480 157.114 187.654 170.944 1.00 64.84 C +ATOM 7249 CG GLU A 480 158.397 188.297 171.451 1.00 68.41 C +ATOM 7250 CD GLU A 480 158.349 189.812 171.391 1.00 74.33 C +ATOM 7251 OE1 GLU A 480 157.470 190.351 170.687 1.00 77.38 O +ATOM 7252 OE2 GLU A 480 159.186 190.464 172.051 1.00 77.66 O +ATOM 7253 H GLU A 480 155.312 186.192 170.203 1.00 86.87 H +ATOM 7254 HA GLU A 480 157.828 185.745 170.700 1.00 87.47 H +ATOM 7255 HB2 GLU A 480 157.037 187.855 169.999 1.00 77.80 H +ATOM 7256 HB3 GLU A 480 156.373 188.056 171.425 1.00 77.80 H +ATOM 7257 HG2 GLU A 480 158.538 188.037 172.375 1.00 82.09 H +ATOM 7258 HG3 GLU A 480 159.140 187.997 170.904 1.00 82.09 H +ATOM 7259 N LEU A 481 155.919 185.753 173.231 1.00 68.65 N +ATOM 7260 CA LEU A 481 155.799 185.426 174.646 1.00 56.85 C +ATOM 7261 C LEU A 481 156.151 183.965 174.907 1.00 55.79 C +ATOM 7262 O LEU A 481 157.046 183.668 175.698 1.00 54.39 O +ATOM 7263 CB LEU A 481 154.378 185.730 175.137 1.00 51.46 C +ATOM 7264 CG LEU A 481 153.919 185.125 176.469 1.00 59.85 C +ATOM 7265 CD1 LEU A 481 154.909 185.395 177.590 1.00 60.04 C +ATOM 7266 CD2 LEU A 481 152.550 185.670 176.837 1.00 53.72 C +ATOM 7267 H LEU A 481 155.167 185.921 172.849 1.00 82.38 H +ATOM 7268 HA LEU A 481 156.415 185.979 175.151 1.00 68.21 H +ATOM 7269 HB2 LEU A 481 154.295 186.693 175.223 1.00 61.75 H +ATOM 7270 HB3 LEU A 481 153.758 185.420 174.459 1.00 61.75 H +ATOM 7271 HG LEU A 481 153.840 184.163 176.366 1.00 71.82 H +ATOM 7272 HD11 LEU A 481 154.575 184.994 178.408 1.00 72.04 H +ATOM 7273 HD12 LEU A 481 155.766 185.006 177.356 1.00 72.04 H +ATOM 7274 HD13 LEU A 481 155.000 186.354 177.705 1.00 72.04 H +ATOM 7275 HD21 LEU A 481 152.271 185.280 177.680 1.00 64.47 H +ATOM 7276 HD22 LEU A 481 152.607 186.635 176.921 1.00 64.47 H +ATOM 7277 HD23 LEU A 481 151.919 185.436 176.138 1.00 64.47 H +ATOM 7278 N THR A 482 155.457 183.056 174.232 1.00 54.26 N +ATOM 7279 CA THR A 482 155.617 181.631 174.493 1.00 58.42 C +ATOM 7280 C THR A 482 156.773 181.019 173.698 1.00 60.84 C +ATOM 7281 O THR A 482 157.258 179.941 174.038 1.00 57.19 O +ATOM 7282 CB THR A 482 154.326 180.857 174.165 1.00 60.81 C +ATOM 7283 OG1 THR A 482 154.147 180.793 172.745 1.00 75.54 O +ATOM 7284 CG2 THR A 482 153.117 181.530 174.807 1.00 58.19 C +ATOM 7285 H THR A 482 154.885 183.239 173.617 1.00 65.11 H +ATOM 7286 HA THR A 482 155.807 181.506 175.436 1.00 70.11 H +ATOM 7287 HB THR A 482 154.396 179.956 174.519 1.00 72.97 H +ATOM 7288 HG1 THR A 482 153.443 180.371 172.563 1.00 90.65 H +ATOM 7289 HG21 THR A 482 152.310 181.035 174.594 1.00 69.83 H +ATOM 7290 HG22 THR A 482 153.225 181.557 175.771 1.00 69.83 H +ATOM 7291 HG23 THR A 482 153.027 182.437 174.474 1.00 69.83 H +ATOM 7292 N GLY A 483 157.215 181.710 172.649 1.00 64.98 N +ATOM 7293 CA GLY A 483 158.278 181.204 171.794 1.00 67.46 C +ATOM 7294 C GLY A 483 157.882 179.863 171.208 1.00 69.98 C +ATOM 7295 O GLY A 483 158.705 178.960 171.057 1.00 71.19 O +ATOM 7296 H GLY A 483 156.911 182.479 172.411 1.00 77.98 H +ATOM 7297 HA2 GLY A 483 158.446 181.828 171.071 1.00 80.95 H +ATOM 7298 HA3 GLY A 483 159.093 181.094 172.310 1.00 80.95 H +ATOM 7299 N GLU A 484 156.605 179.757 170.860 1.00 68.21 N +ATOM 7300 CA GLU A 484 155.978 178.480 170.575 1.00 63.67 C +ATOM 7301 C GLU A 484 154.644 178.767 169.871 1.00 75.56 C +ATOM 7302 O GLU A 484 154.219 179.919 169.827 1.00 71.14 O +ATOM 7303 CB GLU A 484 155.825 177.692 171.888 1.00 65.36 C +ATOM 7304 CG GLU A 484 154.824 176.555 171.899 1.00 72.16 C +ATOM 7305 CD GLU A 484 153.428 177.006 172.263 1.00 75.60 C +ATOM 7306 OE1 GLU A 484 152.568 176.127 172.454 1.00 78.23 O +ATOM 7307 OE2 GLU A 484 153.187 178.227 172.368 1.00 75.74 O +ATOM 7308 H GLU A 484 156.072 180.427 170.782 1.00 81.85 H +ATOM 7309 HA GLU A 484 156.541 177.969 169.973 1.00 76.40 H +ATOM 7310 HB2 GLU A 484 156.689 177.314 172.115 1.00 78.43 H +ATOM 7311 HB3 GLU A 484 155.557 178.314 172.583 1.00 78.43 H +ATOM 7312 HG2 GLU A 484 154.790 176.156 171.015 1.00 86.59 H +ATOM 7313 HG3 GLU A 484 155.105 175.893 172.550 1.00 86.59 H +ATOM 7314 N LYS A 485 154.002 177.750 169.300 1.00 85.35 N +ATOM 7315 CA LYS A 485 152.846 177.971 168.426 1.00 78.17 C +ATOM 7316 C LYS A 485 151.492 177.511 168.985 1.00 72.35 C +ATOM 7317 O LYS A 485 150.471 178.149 168.720 1.00 70.96 O +ATOM 7318 CB LYS A 485 153.095 177.274 167.084 1.00 81.02 C +ATOM 7319 CG LYS A 485 154.222 177.911 166.283 1.00 79.30 C +ATOM 7320 CD LYS A 485 153.745 178.295 164.891 1.00 74.25 C +ATOM 7321 CE LYS A 485 154.678 179.305 164.235 1.00 75.71 C +ATOM 7322 NZ LYS A 485 153.974 180.083 163.174 1.00 76.23 N +ATOM 7323 H LYS A 485 154.214 176.922 169.401 1.00102.42 H +ATOM 7324 HA LYS A 485 152.776 178.922 168.250 1.00 93.80 H +ATOM 7325 N GLU A 486 151.467 176.420 169.750 1.00 76.03 N +ATOM 7326 CA GLU A 486 150.197 175.881 170.237 1.00 76.82 C +ATOM 7327 C GLU A 486 149.545 176.779 171.291 1.00 74.21 C +ATOM 7328 O GLU A 486 148.428 177.260 171.103 1.00 71.22 O +ATOM 7329 CB GLU A 486 150.389 174.477 170.817 1.00 80.18 C +ATOM 7330 CG GLU A 486 151.063 173.498 169.872 1.00 85.78 C +ATOM 7331 CD GLU A 486 150.813 172.051 170.254 1.00100.43 C +ATOM 7332 OE1 GLU A 486 150.370 171.800 171.396 1.00 84.57 O +ATOM 7333 OE2 GLU A 486 151.055 171.164 169.408 1.00 94.05 O +ATOM 7334 H GLU A 486 152.162 175.978 169.998 1.00 91.24 H +ATOM 7335 HA GLU A 486 149.583 175.810 169.490 1.00 92.18 H +ATOM 7336 HB2 GLU A 486 150.938 174.543 171.614 1.00 96.22 H +ATOM 7337 HB3 GLU A 486 149.520 174.114 171.047 1.00 96.22 H +ATOM 7338 HG2 GLU A 486 150.718 173.635 168.976 1.00102.93 H +ATOM 7339 HG3 GLU A 486 152.020 173.652 169.887 1.00102.93 H +ATOM 7340 N MET A 487 150.244 176.986 172.404 1.00 80.56 N +ATOM 7341 CA MET A 487 149.735 177.801 173.501 1.00 77.76 C +ATOM 7342 C MET A 487 149.515 179.252 173.088 1.00 70.71 C +ATOM 7343 O MET A 487 148.559 179.891 173.530 1.00 67.87 O +ATOM 7344 CB MET A 487 150.697 177.750 174.687 1.00 79.52 C +ATOM 7345 CG MET A 487 150.889 176.363 175.280 1.00 79.75 C +ATOM 7346 SD MET A 487 151.966 176.377 176.725 1.00 70.27 S +ATOM 7347 CE MET A 487 153.471 177.055 176.030 1.00 73.08 C +ATOM 7348 H MET A 487 151.027 176.662 172.548 1.00 96.68 H +ATOM 7349 HA MET A 487 148.888 177.430 173.794 1.00 93.31 H +ATOM 7350 HB2 MET A 487 151.566 178.069 174.395 1.00 95.43 H +ATOM 7351 HB3 MET A 487 150.356 178.326 175.389 1.00 95.43 H +ATOM 7352 HG2 MET A 487 150.027 176.012 175.551 1.00 95.70 H +ATOM 7353 HG3 MET A 487 151.290 175.785 174.612 1.00 95.70 H +ATOM 7354 HE1 MET A 487 153.781 176.472 175.320 1.00 87.70 H +ATOM 7355 HE2 MET A 487 153.285 177.938 175.676 1.00 87.70 H +ATOM 7356 HE3 MET A 487 154.143 177.112 176.728 1.00 87.70 H +ATOM 7357 N SER A 488 150.409 179.776 172.255 1.00 60.74 N +ATOM 7358 CA SER A 488 150.273 181.140 171.756 1.00 68.92 C +ATOM 7359 C SER A 488 148.944 181.300 171.032 1.00 67.38 C +ATOM 7360 O SER A 488 148.260 182.312 171.180 1.00 65.54 O +ATOM 7361 CB SER A 488 151.428 181.495 170.823 1.00 70.18 C +ATOM 7362 OG SER A 488 151.567 180.528 169.798 1.00 75.63 O +ATOM 7363 H SER A 488 151.105 179.362 171.964 1.00 72.88 H +ATOM 7364 HA SER A 488 150.286 181.757 172.505 1.00 82.70 H +ATOM 7365 HB2 SER A 488 151.254 182.360 170.420 1.00 84.22 H +ATOM 7366 HB3 SER A 488 152.250 181.530 171.338 1.00 84.22 H +ATOM 7367 HG SER A 488 152.205 180.735 169.292 1.00 90.75 H +ATOM 7368 N ALA A 489 148.584 180.287 170.252 1.00 66.31 N +ATOM 7369 CA ALA A 489 147.303 180.271 169.559 1.00 66.31 C +ATOM 7370 C ALA A 489 146.158 180.170 170.561 1.00 67.86 C +ATOM 7371 O ALA A 489 145.119 180.808 170.394 1.00 72.39 O +ATOM 7372 CB ALA A 489 147.250 179.119 168.570 1.00 69.25 C +ATOM 7373 H ALA A 489 149.068 179.591 170.106 1.00 79.57 H +ATOM 7374 HA ALA A 489 147.200 181.099 169.064 1.00 79.57 H +ATOM 7375 HB1 ALA A 489 146.390 179.129 168.121 1.00 83.10 H +ATOM 7376 HB2 ALA A 489 147.964 179.227 167.922 1.00 83.10 H +ATOM 7377 HB3 ALA A 489 147.363 178.285 169.052 1.00 83.10 H +ATOM 7378 N GLU A 490 146.356 179.364 171.600 1.00 69.86 N +ATOM 7379 CA GLU A 490 145.366 179.212 172.661 1.00 66.43 C +ATOM 7380 C GLU A 490 145.156 180.523 173.412 1.00 67.43 C +ATOM 7381 O GLU A 490 144.034 180.859 173.790 1.00 61.28 O +ATOM 7382 CB GLU A 490 145.793 178.115 173.639 1.00 71.09 C +ATOM 7383 CG GLU A 490 145.542 176.698 173.144 1.00 85.14 C +ATOM 7384 CD GLU A 490 144.085 176.288 173.241 1.00 97.76 C +ATOM 7385 OE1 GLU A 490 143.266 177.094 173.729 1.00 99.40 O +ATOM 7386 OE2 GLU A 490 143.761 175.153 172.832 1.00104.26 O +ATOM 7387 H GLU A 490 147.064 178.890 171.714 1.00 83.84 H +ATOM 7388 HA GLU A 490 144.518 178.952 172.268 1.00 79.72 H +ATOM 7389 HB2 GLU A 490 146.744 178.203 173.808 1.00 85.30 H +ATOM 7390 HB3 GLU A 490 145.302 178.229 174.467 1.00 85.30 H +ATOM 7391 HG2 GLU A 490 145.809 176.638 172.213 1.00102.17 H +ATOM 7392 HG3 GLU A 490 146.064 176.080 173.679 1.00102.17 H +ATOM 7393 N LEU A 491 146.243 181.256 173.633 1.00 70.38 N +ATOM 7394 CA LEU A 491 146.175 182.523 174.352 1.00 78.67 C +ATOM 7395 C LEU A 491 145.396 183.566 173.565 1.00 76.04 C +ATOM 7396 O LEU A 491 144.535 184.253 174.113 1.00 65.07 O +ATOM 7397 CB LEU A 491 147.578 183.051 174.651 1.00 83.75 C +ATOM 7398 CG LEU A 491 148.325 182.470 175.850 1.00 61.15 C +ATOM 7399 CD1 LEU A 491 149.746 182.990 175.851 1.00 76.67 C +ATOM 7400 CD2 LEU A 491 147.628 182.830 177.155 1.00 53.24 C +ATOM 7401 H LEU A 491 147.034 181.040 173.376 1.00 84.45 H +ATOM 7402 HA LEU A 491 145.720 182.383 175.197 1.00 94.40 H +ATOM 7403 HB2 LEU A 491 148.130 182.888 173.870 1.00100.50 H +ATOM 7404 HB3 LEU A 491 147.512 184.007 174.797 1.00100.50 H +ATOM 7405 HG LEU A 491 148.353 181.503 175.775 1.00 73.38 H +ATOM 7406 HD11 LEU A 491 150.217 182.620 176.613 1.00 92.00 H +ATOM 7407 HD12 LEU A 491 150.182 182.719 175.028 1.00 92.00 H +ATOM 7408 HD13 LEU A 491 149.727 183.958 175.912 1.00 92.00 H +ATOM 7409 HD21 LEU A 491 148.125 182.447 177.895 1.00 63.89 H +ATOM 7410 HD22 LEU A 491 147.598 183.795 177.241 1.00 63.89 H +ATOM 7411 HD23 LEU A 491 146.727 182.470 177.141 1.00 63.89 H +ATOM 7412 N GLU A 492 145.707 183.689 172.278 1.00 76.86 N +ATOM 7413 CA GLU A 492 145.042 184.670 171.432 1.00 83.92 C +ATOM 7414 C GLU A 492 143.555 184.362 171.307 1.00 74.36 C +ATOM 7415 O GLU A 492 142.736 185.268 171.167 1.00 72.02 O +ATOM 7416 CB GLU A 492 145.687 184.717 170.047 1.00 75.67 C +ATOM 7417 CG GLU A 492 145.061 185.756 169.128 1.00 80.88 C +ATOM 7418 CD GLU A 492 145.974 186.166 167.990 1.00 78.72 C +ATOM 7419 OE1 GLU A 492 146.733 185.308 167.493 1.00 77.58 O +ATOM 7420 OE2 GLU A 492 145.936 187.352 167.597 1.00 79.99 O +ATOM 7421 H GLU A 492 146.299 183.216 171.872 1.00 92.24 H +ATOM 7422 HA GLU A 492 145.134 185.548 171.835 1.00100.71 H +ATOM 7423 HB2 GLU A 492 146.627 184.934 170.145 1.00 90.80 H +ATOM 7424 HB3 GLU A 492 145.590 183.849 169.626 1.00 90.80 H +ATOM 7425 HG2 GLU A 492 144.250 185.388 168.743 1.00 97.05 H +ATOM 7426 HG3 GLU A 492 144.852 186.550 169.645 1.00 97.05 H +ATOM 7427 N ALA A 493 143.210 183.082 171.361 1.00 68.76 N +ATOM 7428 CA ALA A 493 141.815 182.670 171.294 1.00 67.33 C +ATOM 7429 C ALA A 493 141.074 183.088 172.560 1.00 65.01 C +ATOM 7430 O ALA A 493 139.884 183.399 172.520 1.00 70.33 O +ATOM 7431 CB ALA A 493 141.715 181.171 171.090 1.00 68.58 C +ATOM 7432 H ALA A 493 143.767 182.431 171.437 1.00 82.51 H +ATOM 7433 HA ALA A 493 141.391 183.107 170.539 1.00 80.79 H +ATOM 7434 HB1 ALA A 493 140.779 180.920 171.049 1.00 82.30 H +ATOM 7435 HB2 ALA A 493 142.158 180.935 170.260 1.00 82.30 H +ATOM 7436 HB3 ALA A 493 142.146 180.722 171.834 1.00 82.30 H +ATOM 7437 N LEU A 494 141.789 183.098 173.680 1.00 77.00 N +ATOM 7438 CA LEU A 494 141.207 183.461 174.969 1.00 77.61 C +ATOM 7439 C LEU A 494 141.230 184.969 175.212 1.00 61.25 C +ATOM 7440 O LEU A 494 140.236 185.546 175.649 1.00 66.13 O +ATOM 7441 CB LEU A 494 141.950 182.749 176.103 1.00 70.36 C +ATOM 7442 CG LEU A 494 141.702 181.247 176.244 1.00 82.10 C +ATOM 7443 CD1 LEU A 494 142.761 180.616 177.135 1.00 72.48 C +ATOM 7444 CD2 LEU A 494 140.315 180.989 176.804 1.00 62.25 C +ATOM 7445 H LEU A 494 142.624 182.897 173.721 1.00 92.40 H +ATOM 7446 HA LEU A 494 140.282 183.169 174.990 1.00 93.13 H +ATOM 7447 HB2 LEU A 494 142.902 182.872 175.964 1.00 84.43 H +ATOM 7448 HB3 LEU A 494 141.692 183.163 176.941 1.00 84.43 H +ATOM 7449 HG LEU A 494 141.757 180.832 175.369 1.00 98.52 H +ATOM 7450 HD11 LEU A 494 142.584 179.665 177.210 1.00 86.97 H +ATOM 7451 HD12 LEU A 494 143.634 180.760 176.738 1.00 86.97 H +ATOM 7452 HD13 LEU A 494 142.723 181.030 178.012 1.00 86.97 H +ATOM 7453 HD21 LEU A 494 140.180 180.031 176.885 1.00 74.70 H +ATOM 7454 HD22 LEU A 494 140.243 181.408 177.676 1.00 74.70 H +ATOM 7455 HD23 LEU A 494 139.656 181.366 176.200 1.00 74.70 H +ATOM 7456 N TYR A 495 142.365 185.598 174.922 1.00 61.09 N +ATOM 7457 CA TYR A 495 142.573 187.008 175.247 1.00 66.68 C +ATOM 7458 C TYR A 495 142.378 187.937 174.053 1.00 70.14 C +ATOM 7459 O TYR A 495 141.895 189.059 174.208 1.00 64.95 O +ATOM 7460 CB TYR A 495 143.977 187.213 175.817 1.00 73.27 C +ATOM 7461 CG TYR A 495 144.141 186.731 177.240 1.00 78.47 C +ATOM 7462 CD1 TYR A 495 143.610 187.451 178.302 1.00 76.25 C +ATOM 7463 CD2 TYR A 495 144.838 185.564 177.525 1.00 70.79 C +ATOM 7464 CE1 TYR A 495 143.762 187.020 179.605 1.00 66.73 C +ATOM 7465 CE2 TYR A 495 144.994 185.127 178.827 1.00 70.24 C +ATOM 7466 CZ TYR A 495 144.454 185.859 179.860 1.00 62.21 C +ATOM 7467 OH TYR A 495 144.606 185.428 181.155 1.00 67.39 O +ATOM 7468 H TYR A 495 143.037 185.228 174.533 1.00 73.30 H +ATOM 7469 HA TYR A 495 141.936 187.268 175.931 1.00 80.02 H +ATOM 7470 HB2 TYR A 495 144.611 186.729 175.266 1.00 87.92 H +ATOM 7471 HB3 TYR A 495 144.185 188.161 175.800 1.00 87.92 H +ATOM 7472 HD1 TYR A 495 143.142 188.237 178.133 1.00 91.50 H +ATOM 7473 HD2 TYR A 495 145.204 185.068 176.829 1.00 84.94 H +ATOM 7474 HE1 TYR A 495 143.399 187.512 180.306 1.00 80.08 H +ATOM 7475 HE2 TYR A 495 145.461 184.342 179.003 1.00 84.29 H +ATOM 7476 HH TYR A 495 144.231 185.963 181.682 1.00 80.87 H +ATOM 7477 N GLY A 496 142.768 187.478 172.868 1.00 72.38 N +ATOM 7478 CA GLY A 496 142.666 188.288 171.665 1.00 73.30 C +ATOM 7479 C GLY A 496 143.822 189.261 171.519 1.00 76.04 C +ATOM 7480 O GLY A 496 144.519 189.261 170.505 1.00 76.60 O +ATOM 7481 H GLY A 496 143.097 186.694 172.735 1.00 86.86 H +ATOM 7482 HA2 GLY A 496 142.651 187.710 170.887 1.00 87.96 H +ATOM 7483 HA3 GLY A 496 141.839 188.795 171.687 1.00 87.96 H +ATOM 7484 N ASP A 497 144.019 190.090 172.540 1.00 79.85 N +ATOM 7485 CA ASP A 497 145.070 191.101 172.539 1.00 65.26 C +ATOM 7486 C ASP A 497 146.190 190.690 173.490 1.00 64.31 C +ATOM 7487 O ASP A 497 145.930 190.269 174.616 1.00 68.66 O +ATOM 7488 CB ASP A 497 144.492 192.460 172.945 1.00 66.88 C +ATOM 7489 CG ASP A 497 145.401 193.618 172.587 1.00 70.55 C +ATOM 7490 OD1 ASP A 497 146.638 193.448 172.612 1.00 71.27 O +ATOM 7491 OD2 ASP A 497 144.872 194.707 172.279 1.00 77.30 O +ATOM 7492 H ASP A 497 143.547 190.085 173.259 1.00 95.82 H +ATOM 7493 HA ASP A 497 145.441 191.181 171.646 1.00 78.31 H +ATOM 7494 HB2 ASP A 497 143.646 192.591 172.489 1.00 80.26 H +ATOM 7495 HB3 ASP A 497 144.356 192.471 173.905 1.00 80.26 H +ATOM 7496 N ILE A 498 147.433 190.801 173.034 1.00 65.00 N +ATOM 7497 CA ILE A 498 148.577 190.436 173.862 1.00 68.78 C +ATOM 7498 C ILE A 498 148.657 191.349 175.082 1.00 64.58 C +ATOM 7499 O ILE A 498 149.153 190.949 176.133 1.00 60.72 O +ATOM 7500 CB ILE A 498 149.906 190.499 173.063 1.00 58.28 C +ATOM 7501 CG1 ILE A 498 151.099 190.081 173.933 1.00 54.65 C +ATOM 7502 CG2 ILE A 498 150.132 191.892 172.493 1.00 64.50 C +ATOM 7503 CD1 ILE A 498 151.050 188.640 174.406 1.00 53.54 C +ATOM 7504 H ILE A 498 147.642 191.085 172.250 1.00 78.00 H +ATOM 7505 HA ILE A 498 148.461 189.525 174.177 1.00 82.54 H +ATOM 7506 HB ILE A 498 149.842 189.877 172.321 1.00 69.93 H +ATOM 7507 HG12 ILE A 498 151.914 190.194 173.419 1.00 65.58 H +ATOM 7508 HG13 ILE A 498 151.126 190.649 174.718 1.00 65.58 H +ATOM 7509 HG21 ILE A 498 150.968 191.899 172.001 1.00 77.40 H +ATOM 7510 HG22 ILE A 498 149.397 192.113 171.901 1.00 77.40 H +ATOM 7511 HG23 ILE A 498 150.172 192.529 173.224 1.00 77.40 H +ATOM 7512 HD11 ILE A 498 151.835 188.459 174.946 1.00 64.24 H +ATOM 7513 HD12 ILE A 498 150.247 188.510 174.935 1.00 64.24 H +ATOM 7514 HD13 ILE A 498 151.037 188.054 173.633 1.00 64.24 H +ATOM 7515 N ASP A 499 148.152 192.572 174.944 1.00 63.36 N +ATOM 7516 CA ASP A 499 148.125 193.518 176.055 1.00 56.67 C +ATOM 7517 C ASP A 499 147.009 193.194 177.050 1.00 63.17 C +ATOM 7518 O ASP A 499 146.848 193.890 178.051 1.00 57.58 O +ATOM 7519 CB ASP A 499 147.949 194.949 175.540 1.00 67.41 C +ATOM 7520 CG ASP A 499 149.073 195.384 174.622 1.00 86.95 C +ATOM 7521 OD1 ASP A 499 150.173 195.686 175.131 1.00 84.53 O +ATOM 7522 OD2 ASP A 499 148.857 195.434 173.392 1.00 95.64 O +ATOM 7523 H ASP A 499 147.817 192.879 174.213 1.00 76.04 H +ATOM 7524 HA ASP A 499 148.970 193.473 176.528 1.00 68.00 H +ATOM 7525 HB2 ASP A 499 147.117 195.006 175.044 1.00 80.89 H +ATOM 7526 HB3 ASP A 499 147.927 195.556 176.296 1.00 80.89 H +ATOM 7527 N ALA A 500 146.244 192.143 176.768 1.00 59.24 N +ATOM 7528 CA ALA A 500 145.141 191.733 177.636 1.00 55.69 C +ATOM 7529 C ALA A 500 145.496 190.493 178.453 1.00 53.28 C +ATOM 7530 O ALA A 500 144.729 190.079 179.321 1.00 60.17 O +ATOM 7531 CB ALA A 500 143.894 191.475 176.813 1.00 56.28 C +ATOM 7532 H ALA A 500 146.344 191.645 176.074 1.00 71.09 H +ATOM 7533 HA ALA A 500 144.946 192.453 178.256 1.00 66.83 H +ATOM 7534 HB1 ALA A 500 143.176 191.204 177.407 1.00 67.53 H +ATOM 7535 HB2 ALA A 500 143.650 192.289 176.347 1.00 67.53 H +ATOM 7536 HB3 ALA A 500 144.079 190.769 176.174 1.00 67.53 H +ATOM 7537 N VAL A 501 146.652 189.899 178.179 1.00 53.21 N +ATOM 7538 CA VAL A 501 147.077 188.716 178.916 1.00 62.16 C +ATOM 7539 C VAL A 501 147.355 189.080 180.371 1.00 57.96 C +ATOM 7540 O VAL A 501 148.003 190.085 180.657 1.00 46.66 O +ATOM 7541 CB VAL A 501 148.335 188.075 178.302 1.00 94.32 C +ATOM 7542 CG1 VAL A 501 148.669 186.772 179.020 1.00 89.10 C +ATOM 7543 CG2 VAL A 501 148.130 187.817 176.819 1.00 89.39 C +ATOM 7544 H VAL A 501 147.206 190.160 177.575 1.00 63.86 H +ATOM 7545 HA VAL A 501 146.364 188.058 178.899 1.00 74.59 H +ATOM 7546 HB VAL A 501 149.086 188.680 178.405 1.00113.19 H +ATOM 7547 HG11 VAL A 501 149.463 186.386 178.619 1.00106.92 H +ATOM 7548 HG12 VAL A 501 148.830 186.962 179.958 1.00106.92 H +ATOM 7549 HG13 VAL A 501 147.921 186.161 178.930 1.00106.92 H +ATOM 7550 HG21 VAL A 501 148.934 187.414 176.455 1.00107.27 H +ATOM 7551 HG22 VAL A 501 147.377 187.217 176.704 1.00107.27 H +ATOM 7552 HG23 VAL A 501 147.952 188.661 176.374 1.00107.27 H +ATOM 7553 N GLU A 502 146.860 188.251 181.283 1.00 61.87 N +ATOM 7554 CA GLU A 502 147.004 188.497 182.711 1.00 49.34 C +ATOM 7555 C GLU A 502 148.380 188.083 183.219 1.00 47.98 C +ATOM 7556 O GLU A 502 149.101 187.339 182.556 1.00 46.10 O +ATOM 7557 CB GLU A 502 145.914 187.758 183.483 1.00 50.97 C +ATOM 7558 CG GLU A 502 144.547 188.401 183.374 1.00 53.28 C +ATOM 7559 CD GLU A 502 143.434 187.470 183.800 1.00 52.68 C +ATOM 7560 OE1 GLU A 502 142.893 187.653 184.909 1.00 49.31 O +ATOM 7561 OE2 GLU A 502 143.097 186.554 183.021 1.00 60.97 O +ATOM 7562 H GLU A 502 146.430 187.530 181.097 1.00 74.24 H +ATOM 7563 HA GLU A 502 146.897 189.447 182.879 1.00 59.21 H +ATOM 7564 HB2 GLU A 502 145.845 186.854 183.138 1.00 61.16 H +ATOM 7565 HB3 GLU A 502 146.157 187.734 184.422 1.00 61.16 H +ATOM 7566 HG2 GLU A 502 144.519 189.185 183.945 1.00 63.93 H +ATOM 7567 HG3 GLU A 502 144.390 188.656 182.451 1.00 63.93 H +ATOM 7568 N LEU A 503 148.729 188.566 184.406 1.00 47.61 N +ATOM 7569 CA LEU A 503 150.059 188.365 184.969 1.00 44.35 C +ATOM 7570 C LEU A 503 150.392 186.896 185.228 1.00 44.22 C +ATOM 7571 O LEU A 503 151.380 186.380 184.706 1.00 41.91 O +ATOM 7572 CB LEU A 503 150.194 189.158 186.273 1.00 43.54 C +ATOM 7573 CG LEU A 503 151.463 188.921 187.097 1.00 47.41 C +ATOM 7574 CD1 LEU A 503 152.711 189.196 186.271 1.00 40.95 C +ATOM 7575 CD2 LEU A 503 151.452 189.779 188.353 1.00 33.18 C +ATOM 7576 H LEU A 503 148.204 189.021 184.914 1.00 57.13 H +ATOM 7577 HA LEU A 503 150.715 188.710 184.344 1.00 53.22 H +ATOM 7578 HB2 LEU A 503 150.165 190.103 186.056 1.00 52.25 H +ATOM 7579 HB3 LEU A 503 149.439 188.937 186.840 1.00 52.25 H +ATOM 7580 HG LEU A 503 151.488 187.992 187.372 1.00 56.89 H +ATOM 7581 HD11 LEU A 503 153.494 189.037 186.821 1.00 49.15 H +ATOM 7582 HD12 LEU A 503 152.718 188.601 185.504 1.00 49.15 H +ATOM 7583 HD13 LEU A 503 152.696 190.119 185.974 1.00 49.15 H +ATOM 7584 HD21 LEU A 503 152.264 189.612 188.857 1.00 39.81 H +ATOM 7585 HD22 LEU A 503 151.407 190.713 188.097 1.00 39.81 H +ATOM 7586 HD23 LEU A 503 150.677 189.545 188.888 1.00 39.81 H +ATOM 7587 N TYR A 504 149.575 186.228 186.037 1.00 45.89 N +ATOM 7588 CA TYR A 504 149.903 184.880 186.502 1.00 46.33 C +ATOM 7589 C TYR A 504 150.013 183.852 185.374 1.00 49.40 C +ATOM 7590 O TYR A 504 150.989 183.106 185.318 1.00 54.32 O +ATOM 7591 CB TYR A 504 148.875 184.400 187.526 1.00 43.89 C +ATOM 7592 CG TYR A 504 149.168 183.019 188.059 1.00 40.51 C +ATOM 7593 CD1 TYR A 504 148.291 181.966 187.843 1.00 50.75 C +ATOM 7594 CD2 TYR A 504 150.334 182.766 188.763 1.00 46.84 C +ATOM 7595 CE1 TYR A 504 148.562 180.700 188.326 1.00 56.27 C +ATOM 7596 CE2 TYR A 504 150.616 181.505 189.247 1.00 52.18 C +ATOM 7597 CZ TYR A 504 149.728 180.477 189.028 1.00 56.93 C +ATOM 7598 OH TYR A 504 150.010 179.221 189.511 1.00 61.56 O +ATOM 7599 H TYR A 504 148.826 186.531 186.332 1.00 55.07 H +ATOM 7600 HA TYR A 504 150.764 184.913 186.948 1.00 55.60 H +ATOM 7601 HB2 TYR A 504 148.867 185.014 188.277 1.00 52.67 H +ATOM 7602 HB3 TYR A 504 148.000 184.378 187.108 1.00 52.67 H +ATOM 7603 HD1 TYR A 504 147.504 182.117 187.371 1.00 60.90 H +ATOM 7604 HD2 TYR A 504 150.936 183.458 188.914 1.00 56.21 H +ATOM 7605 HE1 TYR A 504 147.964 180.003 188.178 1.00 67.53 H +ATOM 7606 HE2 TYR A 504 151.401 181.352 189.721 1.00 62.62 H +ATOM 7607 HH TYR A 504 150.746 179.228 189.916 1.00 73.87 H +ATOM 7608 N PRO A 505 149.017 183.800 184.472 1.00 49.48 N +ATOM 7609 CA PRO A 505 149.103 182.792 183.410 1.00 48.42 C +ATOM 7610 C PRO A 505 150.305 183.005 182.498 1.00 50.78 C +ATOM 7611 O PRO A 505 150.957 182.041 182.102 1.00 50.28 O +ATOM 7612 CB PRO A 505 147.792 182.982 182.634 1.00 54.58 C +ATOM 7613 CG PRO A 505 146.899 183.748 183.546 1.00 55.30 C +ATOM 7614 CD PRO A 505 147.804 184.624 184.338 1.00 53.09 C +ATOM 7615 HA PRO A 505 149.132 181.899 183.787 1.00 58.11 H +ATOM 7616 HB2 PRO A 505 147.964 183.484 181.822 1.00 65.49 H +ATOM 7617 HB3 PRO A 505 147.408 182.116 182.426 1.00 65.49 H +ATOM 7618 HG2 PRO A 505 146.278 184.279 183.024 1.00 66.36 H +ATOM 7619 HG3 PRO A 505 146.422 183.134 184.126 1.00 66.36 H +ATOM 7620 HD2 PRO A 505 147.999 185.440 183.852 1.00 63.71 H +ATOM 7621 HD3 PRO A 505 147.421 184.809 185.210 1.00 63.71 H +ATOM 7622 N ALA A 506 150.588 184.263 182.177 1.00 43.63 N +ATOM 7623 CA ALA A 506 151.702 184.604 181.305 1.00 43.35 C +ATOM 7624 C ALA A 506 153.029 184.138 181.898 1.00 47.18 C +ATOM 7625 O ALA A 506 153.902 183.664 181.176 1.00 56.59 O +ATOM 7626 CB ALA A 506 151.732 186.095 181.057 1.00 41.22 C +ATOM 7627 H ALA A 506 150.144 184.944 182.456 1.00 52.35 H +ATOM 7628 HA ALA A 506 151.583 184.160 180.451 1.00 52.02 H +ATOM 7629 HB1 ALA A 506 152.480 186.303 180.475 1.00 49.47 H +ATOM 7630 HB2 ALA A 506 150.900 186.362 180.636 1.00 49.47 H +ATOM 7631 HB3 ALA A 506 151.836 186.553 181.906 1.00 49.47 H +ATOM 7632 N LEU A 507 153.171 184.272 183.213 1.00 50.95 N +ATOM 7633 CA LEU A 507 154.395 183.870 183.903 1.00 49.55 C +ATOM 7634 C LEU A 507 154.693 182.387 183.729 1.00 54.08 C +ATOM 7635 O LEU A 507 155.855 181.989 183.654 1.00 48.81 O +ATOM 7636 CB LEU A 507 154.300 184.192 185.397 1.00 58.21 C +ATOM 7637 CG LEU A 507 154.512 185.643 185.829 1.00 44.70 C +ATOM 7638 CD1 LEU A 507 154.192 185.794 187.306 1.00 47.30 C +ATOM 7639 CD2 LEU A 507 155.934 186.091 185.545 1.00 45.34 C +ATOM 7640 H LEU A 507 152.568 184.596 183.734 1.00 61.14 H +ATOM 7641 HA LEU A 507 155.141 184.370 183.536 1.00 59.45 H +ATOM 7642 HB2 LEU A 507 153.416 183.932 185.702 1.00 69.85 H +ATOM 7643 HB3 LEU A 507 154.965 183.659 185.860 1.00 69.85 H +ATOM 7644 HG LEU A 507 153.909 186.215 185.329 1.00 53.64 H +ATOM 7645 HD11 LEU A 507 154.331 186.719 187.565 1.00 56.76 H +ATOM 7646 HD12 LEU A 507 153.267 185.544 187.456 1.00 56.76 H +ATOM 7647 HD13 LEU A 507 154.779 185.215 187.817 1.00 56.76 H +ATOM 7648 HD21 LEU A 507 156.037 187.013 185.829 1.00 54.41 H +ATOM 7649 HD22 LEU A 507 156.548 185.523 186.035 1.00 54.41 H +ATOM 7650 HD23 LEU A 507 156.104 186.018 184.592 1.00 54.41 H +ATOM 7651 N LEU A 508 153.645 181.572 183.673 1.00 48.80 N +ATOM 7652 CA LEU A 508 153.809 180.123 183.605 1.00 56.86 C +ATOM 7653 C LEU A 508 153.933 179.610 182.171 1.00 62.46 C +ATOM 7654 O LEU A 508 154.560 178.576 181.940 1.00 66.17 O +ATOM 7655 CB LEU A 508 152.643 179.427 184.308 1.00 54.82 C +ATOM 7656 CG LEU A 508 152.500 179.706 185.811 1.00 62.43 C +ATOM 7657 CD1 LEU A 508 151.410 178.838 186.408 1.00 65.56 C +ATOM 7658 CD2 LEU A 508 153.809 179.485 186.553 1.00 64.64 C +ATOM 7659 H LEU A 508 152.825 181.833 183.672 1.00 58.56 H +ATOM 7660 HA LEU A 508 154.623 179.882 184.074 1.00 68.23 H +ATOM 7661 HB2 LEU A 508 151.818 179.708 183.882 1.00 65.79 H +ATOM 7662 HB3 LEU A 508 152.751 178.469 184.201 1.00 65.79 H +ATOM 7663 HG LEU A 508 152.242 180.633 185.933 1.00 74.91 H +ATOM 7664 HD11 LEU A 508 151.338 179.031 187.356 1.00 78.67 H +ATOM 7665 HD12 LEU A 508 150.570 179.037 185.964 1.00 78.67 H +ATOM 7666 HD13 LEU A 508 151.642 177.906 186.276 1.00 78.67 H +ATOM 7667 HD21 LEU A 508 153.672 179.672 187.495 1.00 77.56 H +ATOM 7668 HD22 LEU A 508 154.087 178.563 186.436 1.00 77.56 H +ATOM 7669 HD23 LEU A 508 154.481 180.083 186.191 1.00 77.56 H +ATOM 7670 N VAL A 509 153.346 180.322 181.215 1.00 61.14 N +ATOM 7671 CA VAL A 509 153.454 179.931 179.811 1.00 69.07 C +ATOM 7672 C VAL A 509 154.617 180.637 179.120 1.00 60.53 C +ATOM 7673 O VAL A 509 154.857 180.419 177.933 1.00 59.82 O +ATOM 7674 CB VAL A 509 152.160 180.231 179.014 1.00 55.82 C +ATOM 7675 CG1 VAL A 509 150.969 179.526 179.642 1.00 47.72 C +ATOM 7676 CG2 VAL A 509 151.914 181.731 178.920 1.00 58.04 C +ATOM 7677 H VAL A 509 152.881 181.033 181.350 1.00 73.37 H +ATOM 7678 HA VAL A 509 153.617 178.976 179.764 1.00 82.88 H +ATOM 7679 HB VAL A 509 152.264 179.891 178.112 1.00 66.98 H +ATOM 7680 HG11 VAL A 509 150.173 179.730 179.125 1.00 57.27 H +ATOM 7681 HG12 VAL A 509 151.130 178.569 179.637 1.00 57.27 H +ATOM 7682 HG13 VAL A 509 150.861 179.839 180.553 1.00 57.27 H +ATOM 7683 HG21 VAL A 509 151.100 181.886 178.417 1.00 69.64 H +ATOM 7684 HG22 VAL A 509 151.825 182.092 179.816 1.00 69.64 H +ATOM 7685 HG23 VAL A 509 152.666 182.146 178.469 1.00 69.64 H +ATOM 7686 N GLU A 510 155.337 181.482 179.852 1.00 60.28 N +ATOM 7687 CA GLU A 510 156.422 182.253 179.252 1.00 56.73 C +ATOM 7688 C GLU A 510 157.558 181.351 178.791 1.00 56.94 C +ATOM 7689 O GLU A 510 157.893 180.365 179.445 1.00 49.25 O +ATOM 7690 CB GLU A 510 156.969 183.296 180.231 1.00 52.78 C +ATOM 7691 CG GLU A 510 158.006 184.221 179.601 1.00 57.66 C +ATOM 7692 CD GLU A 510 158.519 185.293 180.549 1.00 61.21 C +ATOM 7693 OE1 GLU A 510 158.547 185.054 181.776 1.00 53.40 O +ATOM 7694 OE2 GLU A 510 158.896 186.379 180.060 1.00 53.59 O +ATOM 7695 H GLU A 510 155.219 181.628 180.691 1.00 72.34 H +ATOM 7696 HA GLU A 510 156.081 182.723 178.476 1.00 68.07 H +ATOM 7697 HB2 GLU A 510 156.235 183.843 180.551 1.00 63.34 H +ATOM 7698 HB3 GLU A 510 157.390 182.838 180.976 1.00 63.34 H +ATOM 7699 HG2 GLU A 510 158.766 183.692 179.312 1.00 69.19 H +ATOM 7700 HG3 GLU A 510 157.606 184.667 178.837 1.00 69.19 H +ATOM 7701 N LYS A 511 158.133 181.704 177.647 1.00 55.06 N +ATOM 7702 CA LYS A 511 159.337 181.064 177.140 1.00 51.31 C +ATOM 7703 C LYS A 511 160.426 181.039 178.216 1.00 50.30 C +ATOM 7704 O LYS A 511 160.895 182.094 178.644 1.00 48.31 O +ATOM 7705 CB LYS A 511 159.832 181.810 175.901 1.00 59.35 C +ATOM 7706 CG LYS A 511 161.056 181.215 175.221 1.00 73.73 C +ATOM 7707 CD LYS A 511 161.768 182.281 174.402 1.00 87.62 C +ATOM 7708 CE LYS A 511 162.439 181.705 173.167 1.00101.94 C +ATOM 7709 NZ LYS A 511 163.435 180.650 173.492 1.00107.09 N +ATOM 7710 H LYS A 511 157.836 182.328 177.135 1.00 66.07 H +ATOM 7711 HA LYS A 511 159.134 180.149 176.887 1.00 61.57 H +ATOM 7712 HB2 LYS A 511 159.116 181.827 175.247 1.00 71.22 H +ATOM 7713 HB3 LYS A 511 160.056 182.718 176.159 1.00 71.22 H +ATOM 7714 HG2 LYS A 511 161.670 180.880 175.893 1.00 88.48 H +ATOM 7715 HG3 LYS A 511 160.781 180.501 174.625 1.00 88.48 H +ATOM 7716 HD2 LYS A 511 161.122 182.944 174.113 1.00105.15 H +ATOM 7717 HD3 LYS A 511 162.451 182.698 174.950 1.00105.15 H +ATOM 7718 HE2 LYS A 511 161.762 181.313 172.594 1.00122.32 H +ATOM 7719 HE3 LYS A 511 162.899 182.418 172.697 1.00122.32 H +ATOM 7720 HZ1 LYS A 511 163.804 180.340 172.744 1.00128.51 H +ATOM 7721 HZ2 LYS A 511 164.074 180.986 174.013 1.00128.51 H +ATOM 7722 HZ3 LYS A 511 163.037 179.978 173.919 1.00128.51 H +ATOM 7723 N PRO A 512 160.828 179.841 178.670 1.00 51.20 N +ATOM 7724 CA PRO A 512 161.907 179.808 179.663 1.00 52.03 C +ATOM 7725 C PRO A 512 163.237 180.282 179.096 1.00 48.21 C +ATOM 7726 O PRO A 512 163.405 180.320 177.878 1.00 62.01 O +ATOM 7727 CB PRO A 512 161.992 178.324 180.048 1.00 46.64 C +ATOM 7728 CG PRO A 512 160.718 177.715 179.586 1.00 45.72 C +ATOM 7729 CD PRO A 512 160.298 178.496 178.391 1.00 47.36 C +ATOM 7730 HA PRO A 512 161.673 180.336 180.443 1.00 62.44 H +ATOM 7731 HB2 PRO A 512 162.749 177.915 179.600 1.00 55.96 H +ATOM 7732 HB3 PRO A 512 162.080 178.242 181.011 1.00 55.96 H +ATOM 7733 HG2 PRO A 512 160.869 176.787 179.349 1.00 54.86 H +ATOM 7734 HG3 PRO A 512 160.052 177.784 180.288 1.00 54.86 H +ATOM 7735 HD2 PRO A 512 160.702 178.132 177.588 1.00 56.83 H +ATOM 7736 HD3 PRO A 512 159.330 178.520 178.324 1.00 56.83 H +ATOM 7737 N ARG A 513 164.170 180.641 179.971 1.00 54.50 N +ATOM 7738 CA ARG A 513 165.551 180.835 179.558 1.00 55.79 C +ATOM 7739 C ARG A 513 166.097 179.474 179.130 1.00 55.67 C +ATOM 7740 O ARG A 513 165.522 178.445 179.481 1.00 46.47 O +ATOM 7741 CB ARG A 513 166.394 181.433 180.688 1.00 68.69 C +ATOM 7742 CG ARG A 513 166.756 182.903 180.510 1.00 63.84 C +ATOM 7743 CD ARG A 513 165.555 183.819 180.682 1.00 76.98 C +ATOM 7744 NE ARG A 513 165.948 185.227 180.744 1.00 74.14 N +ATOM 7745 CZ ARG A 513 166.286 185.872 181.857 1.00 65.20 C +ATOM 7746 NH1 ARG A 513 166.286 185.249 183.028 1.00 69.87 N +ATOM 7747 NH2 ARG A 513 166.629 187.153 181.803 1.00 65.29 N +ATOM 7748 H ARG A 513 164.028 180.779 180.808 1.00 65.40 H +ATOM 7749 HA ARG A 513 165.583 181.435 178.797 1.00 66.95 H +ATOM 7750 HB2 ARG A 513 165.899 181.351 181.518 1.00 82.43 H +ATOM 7751 HB3 ARG A 513 167.223 180.933 180.753 1.00 82.43 H +ATOM 7752 HG2 ARG A 513 167.419 183.149 181.174 1.00 76.61 H +ATOM 7753 HG3 ARG A 513 167.111 183.037 179.618 1.00 76.61 H +ATOM 7754 HD2 ARG A 513 164.956 183.704 179.927 1.00 92.38 H +ATOM 7755 HD3 ARG A 513 165.099 183.595 181.508 1.00 92.38 H +ATOM 7756 HE ARG A 513 165.962 185.670 180.007 1.00 88.96 H +ATOM 7757 HH11 ARG A 513 166.066 184.419 183.074 1.00 83.84 H +ATOM 7758 HH12 ARG A 513 166.507 185.675 183.742 1.00 83.84 H +ATOM 7759 HH21 ARG A 513 166.631 187.566 181.049 1.00 78.35 H +ATOM 7760 HH22 ARG A 513 166.847 187.571 182.522 1.00 78.35 H +ATOM 7761 N PRO A 514 167.206 179.460 178.373 1.00 58.49 N +ATOM 7762 CA PRO A 514 167.762 178.198 177.868 1.00 60.58 C +ATOM 7763 C PRO A 514 168.051 177.182 178.974 1.00 60.17 C +ATOM 7764 O PRO A 514 168.916 177.414 179.816 1.00 57.06 O +ATOM 7765 CB PRO A 514 169.058 178.639 177.176 1.00 61.68 C +ATOM 7766 CG PRO A 514 168.840 180.068 176.832 1.00 71.52 C +ATOM 7767 CD PRO A 514 167.986 180.626 177.924 1.00 59.67 C +ATOM 7768 HA PRO A 514 167.166 177.803 177.213 1.00 72.70 H +ATOM 7769 HB2 PRO A 514 169.805 178.542 177.787 1.00 74.02 H +ATOM 7770 HB3 PRO A 514 169.198 178.110 176.375 1.00 74.02 H +ATOM 7771 HG2 PRO A 514 169.693 180.528 176.799 1.00 85.83 H +ATOM 7772 HG3 PRO A 514 168.385 180.130 175.978 1.00 85.83 H +ATOM 7773 HD2 PRO A 514 168.538 180.962 178.648 1.00 71.60 H +ATOM 7774 HD3 PRO A 514 167.397 181.313 177.576 1.00 71.60 H +ATOM 7775 N ASP A 515 167.321 176.068 178.958 1.00 66.50 N +ATOM 7776 CA ASP A 515 167.441 175.038 179.988 1.00 74.92 C +ATOM 7777 C ASP A 515 167.311 175.632 181.391 1.00 68.42 C +ATOM 7778 O ASP A 515 167.963 175.178 182.332 1.00 58.19 O +ATOM 7779 CB ASP A 515 168.771 174.294 179.855 1.00 80.82 C +ATOM 7780 CG ASP A 515 168.884 173.533 178.550 1.00 81.07 C +ATOM 7781 OD1 ASP A 515 168.260 172.458 178.433 1.00 82.15 O +ATOM 7782 OD2 ASP A 515 169.601 174.008 177.644 1.00 70.15 O +ATOM 7783 H ASP A 515 166.740 175.883 178.352 1.00 79.80 H +ATOM 7784 HA ASP A 515 166.726 174.393 179.871 1.00 89.91 H +ATOM 7785 HB2 ASP A 515 169.497 174.936 179.892 1.00 96.99 H +ATOM 7786 HB3 ASP A 515 168.852 173.657 180.582 1.00 96.99 H +ATOM 7787 N ALA A 516 166.468 176.652 181.516 1.00 68.94 N +ATOM 7788 CA ALA A 516 166.216 177.303 182.797 1.00 56.39 C +ATOM 7789 C ALA A 516 164.830 176.941 183.310 1.00 58.28 C +ATOM 7790 O ALA A 516 163.961 176.518 182.547 1.00 57.96 O +ATOM 7791 CB ALA A 516 166.355 178.805 182.666 1.00 48.64 C +ATOM 7792 H ALA A 516 166.023 176.991 180.863 1.00 82.72 H +ATOM 7793 HA ALA A 516 166.868 176.994 183.444 1.00 67.66 H +ATOM 7794 HB1 ALA A 516 166.183 179.214 183.529 1.00 58.37 H +ATOM 7795 HB2 ALA A 516 167.256 179.014 182.375 1.00 58.37 H +ATOM 7796 HB3 ALA A 516 165.713 179.126 182.014 1.00 58.37 H +ATOM 7797 N ILE A 517 164.629 177.114 184.611 1.00 61.72 N +ATOM 7798 CA ILE A 517 163.359 176.789 185.238 1.00 67.29 C +ATOM 7799 C ILE A 517 162.345 177.914 185.027 1.00 61.73 C +ATOM 7800 O ILE A 517 161.139 177.674 184.994 1.00 55.55 O +ATOM 7801 CB ILE A 517 163.541 176.517 186.751 1.00 62.11 C +ATOM 7802 CG1 ILE A 517 162.246 175.975 187.356 1.00 58.87 C +ATOM 7803 CG2 ILE A 517 163.994 177.780 187.475 1.00 60.82 C +ATOM 7804 CD1 ILE A 517 162.402 175.473 188.778 1.00 52.02 C +ATOM 7805 H ILE A 517 165.219 177.422 185.155 1.00 74.06 H +ATOM 7806 HA ILE A 517 163.002 175.984 184.830 1.00 80.75 H +ATOM 7807 HB ILE A 517 164.231 175.843 186.857 1.00 74.53 H +ATOM 7808 HG12 ILE A 517 161.583 176.683 187.363 1.00 70.65 H +ATOM 7809 HG13 ILE A 517 161.932 175.235 186.813 1.00 70.65 H +ATOM 7810 HG21 ILE A 517 164.100 177.582 188.419 1.00 72.98 H +ATOM 7811 HG22 ILE A 517 164.839 178.072 187.101 1.00 72.98 H +ATOM 7812 HG23 ILE A 517 163.322 178.470 187.356 1.00 72.98 H +ATOM 7813 HD11 ILE A 517 161.544 175.146 189.093 1.00 62.43 H +ATOM 7814 HD12 ILE A 517 163.054 174.755 188.789 1.00 62.43 H +ATOM 7815 HD13 ILE A 517 162.705 176.204 189.339 1.00 62.43 H +ATOM 7816 N PHE A 518 162.847 179.136 184.872 1.00 58.46 N +ATOM 7817 CA PHE A 518 162.000 180.322 184.747 1.00 56.68 C +ATOM 7818 C PHE A 518 162.201 181.056 183.428 1.00 49.78 C +ATOM 7819 O PHE A 518 163.226 180.905 182.764 1.00 46.19 O +ATOM 7820 CB PHE A 518 162.274 181.299 185.894 1.00 54.42 C +ATOM 7821 CG PHE A 518 161.949 180.756 187.252 1.00 48.14 C +ATOM 7822 CD1 PHE A 518 160.754 180.098 187.486 1.00 50.59 C +ATOM 7823 CD2 PHE A 518 162.843 180.902 188.298 1.00 53.81 C +ATOM 7824 CE1 PHE A 518 160.456 179.601 188.737 1.00 50.55 C +ATOM 7825 CE2 PHE A 518 162.552 180.403 189.550 1.00 59.95 C +ATOM 7826 CZ PHE A 518 161.357 179.752 189.771 1.00 51.68 C +ATOM 7827 H PHE A 518 163.689 179.309 184.836 1.00 70.16 H +ATOM 7828 HA PHE A 518 161.070 180.052 184.799 1.00 68.01 H +ATOM 7829 HB2 PHE A 518 163.216 181.532 185.886 1.00 65.30 H +ATOM 7830 HB3 PHE A 518 161.739 182.097 185.758 1.00 65.30 H +ATOM 7831 HD1 PHE A 518 160.143 179.994 186.793 1.00 60.71 H +ATOM 7832 HD2 PHE A 518 163.651 181.341 188.154 1.00 64.57 H +ATOM 7833 HE1 PHE A 518 159.650 179.160 188.883 1.00 60.67 H +ATOM 7834 HE2 PHE A 518 163.160 180.508 190.246 1.00 71.94 H +ATOM 7835 HZ PHE A 518 161.158 179.416 190.615 1.00 62.01 H +ATOM 7836 N GLY A 519 161.205 181.859 183.068 1.00 49.35 N +ATOM 7837 CA GLY A 519 161.321 182.788 181.963 1.00 53.49 C +ATOM 7838 C GLY A 519 161.857 184.115 182.462 1.00 54.51 C +ATOM 7839 O GLY A 519 162.063 184.294 183.662 1.00 59.46 O +ATOM 7840 H GLY A 519 160.439 181.880 183.459 1.00 59.22 H +ATOM 7841 HA2 GLY A 519 161.927 182.434 181.294 1.00 64.19 H +ATOM 7842 HA3 GLY A 519 160.451 182.931 181.558 1.00 64.19 H +ATOM 7843 N GLU A 520 162.079 185.042 181.539 1.00 54.87 N +ATOM 7844 CA GLU A 520 162.662 186.340 181.854 1.00 59.94 C +ATOM 7845 C GLU A 520 161.878 187.106 182.921 1.00 61.67 C +ATOM 7846 O GLU A 520 162.460 187.625 183.871 1.00 54.15 O +ATOM 7847 CB GLU A 520 162.755 187.183 180.579 1.00 64.73 C +ATOM 7848 CG GLU A 520 163.258 188.610 180.783 1.00 69.04 C +ATOM 7849 CD GLU A 520 163.209 189.433 179.512 1.00 69.89 C +ATOM 7850 OE1 GLU A 520 162.293 189.208 178.692 1.00 63.24 O +ATOM 7851 OE2 GLU A 520 164.085 190.306 179.332 1.00 63.41 O +ATOM 7852 H GLU A 520 161.896 184.941 180.705 1.00 65.84 H +ATOM 7853 HA GLU A 520 163.563 186.205 182.187 1.00 71.93 H +ATOM 7854 HB2 GLU A 520 163.362 186.744 179.962 1.00 77.68 H +ATOM 7855 HB3 GLU A 520 161.872 187.239 180.181 1.00 77.68 H +ATOM 7856 HG2 GLU A 520 162.703 189.049 181.447 1.00 82.85 H +ATOM 7857 HG3 GLU A 520 164.179 188.580 181.087 1.00 82.85 H +ATOM 7858 N THR A 521 160.561 187.169 182.761 1.00 52.43 N +ATOM 7859 CA THR A 521 159.735 188.036 183.595 1.00 51.49 C +ATOM 7860 C THR A 521 159.687 187.580 185.051 1.00 49.84 C +ATOM 7861 O THR A 521 159.675 188.411 185.958 1.00 44.69 O +ATOM 7862 CB THR A 521 158.297 188.118 183.058 1.00 48.98 C +ATOM 7863 OG1 THR A 521 158.324 188.416 181.657 1.00 50.78 O +ATOM 7864 CG2 THR A 521 157.517 189.202 183.788 1.00 38.86 C +ATOM 7865 H THR A 521 160.120 186.718 182.177 1.00 62.92 H +ATOM 7866 HA THR A 521 160.109 188.931 183.578 1.00 61.78 H +ATOM 7867 HB THR A 521 157.850 187.269 183.200 1.00 58.78 H +ATOM 7868 HG1 THR A 521 158.738 187.814 181.243 1.00 60.94 H +ATOM 7869 HG21 THR A 521 156.611 189.247 183.443 1.00 46.63 H +ATOM 7870 HG22 THR A 521 157.484 189.004 184.737 1.00 46.63 H +ATOM 7871 HG23 THR A 521 157.946 190.062 183.660 1.00 46.63 H +ATOM 7872 N MET A 522 159.647 186.270 185.272 1.00 45.86 N +ATOM 7873 CA MET A 522 159.633 185.727 186.626 1.00 41.96 C +ATOM 7874 C MET A 522 160.846 186.219 187.408 1.00 46.27 C +ATOM 7875 O MET A 522 160.723 186.657 188.549 1.00 45.77 O +ATOM 7876 CB MET A 522 159.614 184.198 186.596 1.00 57.47 C +ATOM 7877 CG MET A 522 159.572 183.540 187.974 1.00 43.80 C +ATOM 7878 SD MET A 522 157.954 183.648 188.755 1.00 38.25 S +ATOM 7879 CE MET A 522 157.078 182.354 187.881 1.00 43.20 C +ATOM 7880 H MET A 522 159.627 185.673 184.654 1.00 55.03 H +ATOM 7881 HA MET A 522 158.828 186.027 187.075 1.00 50.35 H +ATOM 7882 HB2 MET A 522 158.829 183.907 186.107 1.00 68.97 H +ATOM 7883 HB3 MET A 522 160.414 183.886 186.145 1.00 68.97 H +ATOM 7884 HG2 MET A 522 159.798 182.601 187.882 1.00 52.56 H +ATOM 7885 HG3 MET A 522 160.214 183.980 188.553 1.00 52.56 H +ATOM 7886 HE1 MET A 522 156.169 182.307 188.217 1.00 51.83 H +ATOM 7887 HE2 MET A 522 157.071 182.562 186.934 1.00 51.83 H +ATOM 7888 HE3 MET A 522 157.530 181.510 188.032 1.00 51.83 H +ATOM 7889 N VAL A 523 162.013 186.148 186.781 1.00 47.03 N +ATOM 7890 CA VAL A 523 163.257 186.553 187.422 1.00 45.84 C +ATOM 7891 C VAL A 523 163.319 188.058 187.664 1.00 42.03 C +ATOM 7892 O VAL A 523 163.590 188.500 188.778 1.00 45.59 O +ATOM 7893 CB VAL A 523 164.475 186.126 186.575 1.00 52.63 C +ATOM 7894 CG1 VAL A 523 165.768 186.780 187.086 1.00 61.37 C +ATOM 7895 CG2 VAL A 523 164.607 184.614 186.578 1.00 56.21 C +ATOM 7896 H VAL A 523 162.113 185.865 185.975 1.00 56.44 H +ATOM 7897 HA VAL A 523 163.324 186.110 188.283 1.00 55.01 H +ATOM 7898 HB VAL A 523 164.337 186.413 185.659 1.00 63.16 H +ATOM 7899 HG11 VAL A 523 166.508 186.489 186.531 1.00 73.65 H +ATOM 7900 HG12 VAL A 523 165.674 187.744 187.035 1.00 73.65 H +ATOM 7901 HG13 VAL A 523 165.916 186.509 188.005 1.00 73.65 H +ATOM 7902 HG21 VAL A 523 165.376 184.363 186.042 1.00 67.45 H +ATOM 7903 HG22 VAL A 523 164.727 184.309 187.491 1.00 67.45 H +ATOM 7904 HG23 VAL A 523 163.802 184.226 186.202 1.00 67.45 H +ATOM 7905 N GLU A 524 163.076 188.843 186.621 1.00 47.66 N +ATOM 7906 CA GLU A 524 163.295 190.284 186.693 1.00 54.69 C +ATOM 7907 C GLU A 524 162.274 190.983 187.587 1.00 41.60 C +ATOM 7908 O GLU A 524 162.542 192.065 188.106 1.00 38.84 O +ATOM 7909 CB GLU A 524 163.272 190.897 185.291 1.00 53.75 C +ATOM 7910 CG GLU A 524 164.323 190.323 184.346 1.00 72.75 C +ATOM 7911 CD GLU A 524 165.738 190.470 184.874 1.00 73.14 C +ATOM 7912 OE1 GLU A 524 166.072 191.552 185.399 1.00 62.35 O +ATOM 7913 OE2 GLU A 524 166.516 189.498 184.764 1.00 62.65 O +ATOM 7914 H GLU A 524 162.784 188.567 185.860 1.00 57.19 H +ATOM 7915 HA GLU A 524 164.175 190.445 187.070 1.00 65.63 H +ATOM 7916 HB2 GLU A 524 162.400 190.738 184.896 1.00 64.50 H +ATOM 7917 HB3 GLU A 524 163.430 191.851 185.365 1.00 64.50 H +ATOM 7918 HG2 GLU A 524 164.148 189.378 184.217 1.00 87.30 H +ATOM 7919 HG3 GLU A 524 164.270 190.788 183.497 1.00 87.30 H +ATOM 7920 N VAL A 525 161.110 190.366 187.769 1.00 46.69 N +ATOM 7921 CA VAL A 525 160.094 190.896 188.674 1.00 42.14 C +ATOM 7922 C VAL A 525 160.310 190.365 190.089 1.00 41.11 C +ATOM 7923 O VAL A 525 160.110 191.083 191.069 1.00 34.01 O +ATOM 7924 CB VAL A 525 158.667 190.538 188.207 1.00 39.20 C +ATOM 7925 CG1 VAL A 525 157.625 190.996 189.225 1.00 34.16 C +ATOM 7926 CG2 VAL A 525 158.383 191.163 186.849 1.00 45.39 C +ATOM 7927 H VAL A 525 160.883 189.635 187.378 1.00 56.03 H +ATOM 7928 HA VAL A 525 160.167 191.863 188.702 1.00 50.56 H +ATOM 7929 HB VAL A 525 158.596 189.575 188.116 1.00 47.04 H +ATOM 7930 HG11 VAL A 525 156.743 190.756 188.902 1.00 40.99 H +ATOM 7931 HG12 VAL A 525 157.799 190.557 190.073 1.00 40.99 H +ATOM 7932 HG13 VAL A 525 157.690 191.958 189.331 1.00 40.99 H +ATOM 7933 HG21 VAL A 525 157.483 190.925 186.575 1.00 54.47 H +ATOM 7934 HG22 VAL A 525 158.463 192.127 186.922 1.00 54.47 H +ATOM 7935 HG23 VAL A 525 159.025 190.825 186.206 1.00 54.47 H +ATOM 7936 N GLY A 526 160.726 189.107 190.185 1.00 36.81 N +ATOM 7937 CA GLY A 526 160.866 188.445 191.470 1.00 31.78 C +ATOM 7938 C GLY A 526 162.087 188.862 192.271 1.00 36.61 C +ATOM 7939 O GLY A 526 161.993 189.062 193.480 1.00 29.23 O +ATOM 7940 H GLY A 526 160.935 188.613 189.513 1.00 44.17 H +ATOM 7941 HA2 GLY A 526 160.079 188.629 192.007 1.00 38.13 H +ATOM 7942 HA3 GLY A 526 160.915 187.486 191.328 1.00 38.13 H +ATOM 7943 N ALA A 527 163.229 188.997 191.602 1.00 38.03 N +ATOM 7944 CA ALA A 527 164.501 189.236 192.284 1.00 37.73 C +ATOM 7945 C ALA A 527 164.505 190.481 193.181 1.00 34.20 C +ATOM 7946 O ALA A 527 165.047 190.438 194.283 1.00 30.96 O +ATOM 7947 CB ALA A 527 165.631 189.327 191.261 1.00 38.39 C +ATOM 7948 H ALA A 527 163.295 188.955 190.746 1.00 45.63 H +ATOM 7949 HA ALA A 527 164.688 188.473 192.853 1.00 45.28 H +ATOM 7950 HB1 ALA A 527 166.467 189.485 191.727 1.00 46.07 H +ATOM 7951 HB2 ALA A 527 165.679 188.492 190.769 1.00 46.07 H +ATOM 7952 HB3 ALA A 527 165.447 190.059 190.652 1.00 46.07 H +ATOM 7953 N PRO A 528 163.908 191.592 192.717 1.00 34.60 N +ATOM 7954 CA PRO A 528 163.844 192.797 193.554 1.00 37.05 C +ATOM 7955 C PRO A 528 163.071 192.610 194.863 1.00 33.72 C +ATOM 7956 O PRO A 528 163.559 193.004 195.921 1.00 35.88 O +ATOM 7957 CB PRO A 528 163.126 193.804 192.651 1.00 34.68 C +ATOM 7958 CG PRO A 528 163.399 193.340 191.282 1.00 33.84 C +ATOM 7959 CD PRO A 528 163.392 191.854 191.362 1.00 36.50 C +ATOM 7960 HA PRO A 528 164.737 193.120 193.750 1.00 44.46 H +ATOM 7961 HB2 PRO A 528 162.174 193.790 192.836 1.00 41.62 H +ATOM 7962 HB3 PRO A 528 163.493 194.691 192.793 1.00 41.62 H +ATOM 7963 HG2 PRO A 528 162.701 193.654 190.686 1.00 40.61 H +ATOM 7964 HG3 PRO A 528 164.267 193.663 190.994 1.00 40.61 H +ATOM 7965 HD2 PRO A 528 162.488 191.514 191.272 1.00 43.80 H +ATOM 7966 HD3 PRO A 528 163.985 191.476 190.694 1.00 43.80 H +ATOM 7967 N PHE A 529 161.874 192.040 194.782 1.00 24.72 N +ATOM 7968 CA PHE A 529 161.087 191.741 195.974 1.00 28.83 C +ATOM 7969 C PHE A 529 161.892 190.886 196.947 1.00 31.04 C +ATOM 7970 O PHE A 529 161.895 191.129 198.153 1.00 26.26 O +ATOM 7971 CB PHE A 529 159.794 191.013 195.600 1.00 28.12 C +ATOM 7972 CG PHE A 529 158.823 191.844 194.808 1.00 23.41 C +ATOM 7973 CD1 PHE A 529 158.480 193.120 195.217 1.00 24.91 C +ATOM 7974 CD2 PHE A 529 158.247 191.341 193.656 1.00 26.31 C +ATOM 7975 CE1 PHE A 529 157.584 193.876 194.492 1.00 27.68 C +ATOM 7976 CE2 PHE A 529 157.350 192.095 192.926 1.00 29.57 C +ATOM 7977 CZ PHE A 529 157.018 193.363 193.345 1.00 26.98 C +ATOM 7978 H PHE A 529 161.492 191.815 194.044 1.00 29.67 H +ATOM 7979 HA PHE A 529 160.853 192.570 196.419 1.00 34.60 H +ATOM 7980 HB2 PHE A 529 160.018 190.234 195.068 1.00 33.74 H +ATOM 7981 HB3 PHE A 529 159.347 190.735 196.415 1.00 33.74 H +ATOM 7982 HD1 PHE A 529 158.857 193.472 195.991 1.00 29.89 H +ATOM 7983 HD2 PHE A 529 158.467 190.484 193.369 1.00 31.57 H +ATOM 7984 HE1 PHE A 529 157.362 194.733 194.776 1.00 33.21 H +ATOM 7985 HE2 PHE A 529 156.970 191.746 192.152 1.00 35.48 H +ATOM 7986 HZ PHE A 529 156.415 193.873 192.854 1.00 32.38 H +ATOM 7987 N SER A 530 162.579 189.886 196.406 1.00 24.45 N +ATOM 7988 CA SER A 530 163.335 188.940 197.214 1.00 31.77 C +ATOM 7989 C SER A 530 164.488 189.614 197.948 1.00 24.33 C +ATOM 7990 O SER A 530 164.605 189.509 199.164 1.00 27.70 O +ATOM 7991 CB SER A 530 163.871 187.809 196.334 1.00 30.92 C +ATOM 7992 OG SER A 530 164.668 186.912 197.088 1.00 31.98 O +ATOM 7993 H SER A 530 162.622 189.733 195.561 1.00 29.33 H +ATOM 7994 HA SER A 530 162.745 188.549 197.877 1.00 38.12 H +ATOM 7995 HB2 SER A 530 163.122 187.323 195.954 1.00 37.10 H +ATOM 7996 HB3 SER A 530 164.412 188.191 195.625 1.00 37.10 H +ATOM 7997 HG SER A 530 164.955 186.298 196.592 1.00 38.37 H +ATOM 7998 N LEU A 531 165.339 190.304 197.200 1.00 33.20 N +ATOM 7999 CA LEU A 531 166.519 190.938 197.771 1.00 33.29 C +ATOM 8000 C LEU A 531 166.141 192.008 198.781 1.00 31.46 C +ATOM 8001 O LEU A 531 166.828 192.204 199.783 1.00 27.21 O +ATOM 8002 CB LEU A 531 167.375 191.544 196.667 1.00 31.19 C +ATOM 8003 CG LEU A 531 168.035 190.520 195.749 1.00 34.40 C +ATOM 8004 CD1 LEU A 531 168.548 191.195 194.489 1.00 56.22 C +ATOM 8005 CD2 LEU A 531 169.162 189.815 196.480 1.00 30.73 C +ATOM 8006 H LEU A 531 165.254 190.421 196.353 1.00 39.84 H +ATOM 8007 HA LEU A 531 167.049 190.266 198.228 1.00 39.95 H +ATOM 8008 HB2 LEU A 531 166.815 192.115 196.117 1.00 37.43 H +ATOM 8009 HB3 LEU A 531 168.080 192.072 197.074 1.00 37.43 H +ATOM 8010 HG LEU A 531 167.379 189.855 195.490 1.00 41.28 H +ATOM 8011 HD11 LEU A 531 168.963 190.528 193.920 1.00 67.46 H +ATOM 8012 HD12 LEU A 531 167.802 191.607 194.026 1.00 67.46 H +ATOM 8013 HD13 LEU A 531 169.198 191.871 194.735 1.00 67.46 H +ATOM 8014 HD21 LEU A 531 169.569 189.168 195.882 1.00 36.87 H +ATOM 8015 HD22 LEU A 531 169.820 190.472 196.755 1.00 36.87 H +ATOM 8016 HD23 LEU A 531 168.798 189.363 197.258 1.00 36.87 H +ATOM 8017 N LYS A 532 165.044 192.697 198.503 1.00 27.65 N +ATOM 8018 CA LYS A 532 164.569 193.761 199.370 1.00 25.70 C +ATOM 8019 C LYS A 532 164.067 193.187 200.695 1.00 31.72 C +ATOM 8020 O LYS A 532 164.187 193.819 201.744 1.00 34.66 O +ATOM 8021 CB LYS A 532 163.469 194.549 198.661 1.00 30.61 C +ATOM 8022 CG LYS A 532 162.951 195.738 199.425 1.00 45.05 C +ATOM 8023 CD LYS A 532 164.026 196.780 199.660 1.00 34.46 C +ATOM 8024 CE LYS A 532 163.453 197.947 200.427 1.00 31.88 C +ATOM 8025 NZ LYS A 532 164.480 198.658 201.207 1.00 39.49 N +ATOM 8026 H LYS A 532 164.553 192.565 197.810 1.00 33.17 H +ATOM 8027 HA LYS A 532 165.301 194.368 199.561 1.00 30.84 H +ATOM 8028 HB2 LYS A 532 163.817 194.873 197.815 1.00 36.73 H +ATOM 8029 HB3 LYS A 532 162.719 193.955 198.498 1.00 36.73 H +ATOM 8030 HG2 LYS A 532 162.233 196.152 198.920 1.00 54.06 H +ATOM 8031 HG3 LYS A 532 162.623 195.442 200.289 1.00 54.06 H +ATOM 8032 HD2 LYS A 532 164.747 196.392 200.180 1.00 41.36 H +ATOM 8033 HD3 LYS A 532 164.357 197.104 198.807 1.00 41.36 H +ATOM 8034 HE2 LYS A 532 163.060 198.577 199.803 1.00 38.25 H +ATOM 8035 HE3 LYS A 532 162.778 197.622 201.043 1.00 38.25 H +ATOM 8036 HZ1 LYS A 532 164.111 199.338 201.647 1.00 47.38 H +ATOM 8037 HZ2 LYS A 532 164.854 198.103 201.794 1.00 47.38 H +ATOM 8038 HZ3 LYS A 532 165.111 198.973 200.664 1.00 47.38 H +ATOM 8039 N GLY A 533 163.512 191.981 200.641 1.00 30.31 N +ATOM 8040 CA GLY A 533 163.054 191.302 201.838 1.00 25.77 C +ATOM 8041 C GLY A 533 164.218 190.746 202.637 1.00 33.28 C +ATOM 8042 O GLY A 533 164.170 190.687 203.865 1.00 33.19 O +ATOM 8043 H GLY A 533 163.390 191.535 199.916 1.00 36.37 H +ATOM 8044 HA2 GLY A 533 162.561 191.923 202.397 1.00 30.92 H +ATOM 8045 HA3 GLY A 533 162.467 190.570 201.593 1.00 30.92 H +ATOM 8046 N LEU A 534 165.271 190.347 201.934 1.00 29.03 N +ATOM 8047 CA LEU A 534 166.434 189.736 202.565 1.00 32.28 C +ATOM 8048 C LEU A 534 167.371 190.772 203.192 1.00 25.76 C +ATOM 8049 O LEU A 534 167.691 190.685 204.377 1.00 30.35 O +ATOM 8050 CB LEU A 534 167.195 188.889 201.542 1.00 29.72 C +ATOM 8051 CG LEU A 534 166.442 187.658 201.031 1.00 26.26 C +ATOM 8052 CD1 LEU A 534 167.065 187.136 199.749 1.00 32.55 C +ATOM 8053 CD2 LEU A 534 166.414 186.569 202.090 1.00 28.09 C +ATOM 8054 H LEU A 534 165.337 190.419 201.080 1.00 34.84 H +ATOM 8055 HA LEU A 534 166.131 189.145 203.272 1.00 38.74 H +ATOM 8056 HB2 LEU A 534 167.402 189.445 200.774 1.00 35.66 H +ATOM 8057 HB3 LEU A 534 168.019 188.579 201.950 1.00 35.66 H +ATOM 8058 HG LEU A 534 165.525 187.908 200.836 1.00 31.51 H +ATOM 8059 HD11 LEU A 534 166.568 186.358 199.450 1.00 39.06 H +ATOM 8060 HD12 LEU A 534 167.028 187.831 199.074 1.00 39.06 H +ATOM 8061 HD13 LEU A 534 167.987 186.892 199.923 1.00 39.06 H +ATOM 8062 HD21 LEU A 534 165.932 185.802 201.741 1.00 33.71 H +ATOM 8063 HD22 LEU A 534 167.325 186.316 202.307 1.00 33.71 H +ATOM 8064 HD23 LEU A 534 165.968 186.909 202.881 1.00 33.71 H +ATOM 8065 N MET A 535 167.805 191.750 202.403 1.00 27.88 N +ATOM 8066 CA MET A 535 168.753 192.751 202.884 1.00 29.91 C +ATOM 8067 C MET A 535 168.060 193.877 203.644 1.00 30.68 C +ATOM 8068 O MET A 535 168.704 194.617 204.387 1.00 29.98 O +ATOM 8069 CB MET A 535 169.557 193.331 201.720 1.00 28.22 C +ATOM 8070 CG MET A 535 170.387 192.306 200.951 1.00 33.10 C +ATOM 8071 SD MET A 535 171.418 191.253 201.994 1.00 31.93 S +ATOM 8072 CE MET A 535 172.508 192.456 202.751 1.00 30.75 C +ATOM 8073 H MET A 535 167.566 191.856 201.584 1.00 33.46 H +ATOM 8074 HA MET A 535 169.380 192.316 203.484 1.00 35.89 H +ATOM 8075 HB2 MET A 535 168.942 193.742 201.093 1.00 33.87 H +ATOM 8076 HB3 MET A 535 170.165 194.002 202.068 1.00 33.87 H +ATOM 8077 HG2 MET A 535 169.787 191.730 200.453 1.00 39.72 H +ATOM 8078 HG3 MET A 535 170.973 192.778 200.338 1.00 39.72 H +ATOM 8079 HE1 MET A 535 173.121 191.996 203.346 1.00 36.91 H +ATOM 8080 HE2 MET A 535 173.004 192.915 202.055 1.00 36.91 H +ATOM 8081 HE3 MET A 535 171.975 193.093 203.252 1.00 36.91 H +ATOM 8082 N GLY A 536 166.751 194.005 203.461 1.00 28.21 N +ATOM 8083 CA GLY A 536 165.982 195.014 204.166 1.00 32.78 C +ATOM 8084 C GLY A 536 165.719 194.641 205.612 1.00 28.91 C +ATOM 8085 O GLY A 536 165.145 195.425 206.365 1.00 38.24 O +ATOM 8086 H GLY A 536 166.285 193.515 202.929 1.00 33.85 H +ATOM 8087 HA2 GLY A 536 166.464 195.856 204.149 1.00 39.34 H +ATOM 8088 HA3 GLY A 536 165.130 195.139 203.721 1.00 39.34 H +ATOM 8089 N ASN A 537 166.132 193.440 205.999 1.00 32.06 N +ATOM 8090 CA ASN A 537 165.970 192.970 207.368 1.00 28.47 C +ATOM 8091 C ASN A 537 166.822 193.774 208.346 1.00 29.17 C +ATOM 8092 O ASN A 537 167.960 194.135 208.042 1.00 25.48 O +ATOM 8093 CB ASN A 537 166.330 191.487 207.452 1.00 31.53 C +ATOM 8094 CG ASN A 537 165.869 190.844 208.743 1.00 30.50 C +ATOM 8095 OD1 ASN A 537 166.513 190.975 209.781 1.00 22.83 O +ATOM 8096 ND2 ASN A 537 164.750 190.137 208.681 1.00 24.96 N +ATOM 8097 H ASN A 537 166.515 192.872 205.480 1.00 38.47 H +ATOM 8098 HA ASN A 537 165.041 193.069 207.628 1.00 34.17 H +ATOM 8099 HB2 ASN A 537 165.909 191.018 206.715 1.00 37.83 H +ATOM 8100 HB3 ASN A 537 167.294 191.393 207.398 1.00 37.83 H +ATOM 8101 HD21 ASN A 537 164.445 189.751 209.386 1.00 29.96 H +ATOM 8102 HD22 ASN A 537 164.328 190.063 207.935 1.00 29.96 H +ATOM 8103 N VAL A 538 166.266 194.043 209.524 1.00 23.28 N +ATOM 8104 CA VAL A 538 166.926 194.866 210.534 1.00 23.83 C +ATOM 8105 C VAL A 538 168.325 194.366 210.920 1.00 21.15 C +ATOM 8106 O VAL A 538 169.196 195.173 211.238 1.00 18.82 O +ATOM 8107 CB VAL A 538 166.054 194.969 211.827 1.00 26.78 C +ATOM 8108 CG1 VAL A 538 165.661 193.596 212.331 1.00 29.58 C +ATOM 8109 CG2 VAL A 538 166.771 195.752 212.920 1.00 22.37 C +ATOM 8110 H VAL A 538 165.492 193.755 209.766 1.00 27.93 H +ATOM 8111 HA VAL A 538 167.027 195.763 210.179 1.00 28.60 H +ATOM 8112 HB VAL A 538 165.238 195.447 211.611 1.00 32.14 H +ATOM 8113 HG11 VAL A 538 165.122 193.696 213.131 1.00 35.50 H +ATOM 8114 HG12 VAL A 538 165.150 193.142 211.642 1.00 35.50 H +ATOM 8115 HG13 VAL A 538 166.465 193.092 212.534 1.00 35.50 H +ATOM 8116 HG21 VAL A 538 166.201 195.795 213.703 1.00 26.84 H +ATOM 8117 HG22 VAL A 538 167.601 195.300 213.139 1.00 26.84 H +ATOM 8118 HG23 VAL A 538 166.957 196.648 212.596 1.00 26.84 H +ATOM 8119 N ILE A 539 168.548 193.055 210.894 1.00 22.28 N +ATOM 8120 CA ILE A 539 169.844 192.524 211.316 1.00 30.70 C +ATOM 8121 C ILE A 539 170.954 192.881 210.323 1.00 31.38 C +ATOM 8122 O ILE A 539 172.138 192.753 210.634 1.00 23.39 O +ATOM 8123 CB ILE A 539 169.827 190.986 211.509 1.00 24.80 C +ATOM 8124 CG1 ILE A 539 169.736 190.234 210.172 1.00 28.37 C +ATOM 8125 CG2 ILE A 539 168.689 190.576 212.437 1.00 25.69 C +ATOM 8126 CD1 ILE A 539 170.258 188.826 210.253 1.00 35.14 C +ATOM 8127 H ILE A 539 167.980 192.461 210.642 1.00 26.74 H +ATOM 8128 HA ILE A 539 170.077 192.923 212.169 1.00 36.85 H +ATOM 8129 HB ILE A 539 170.661 190.732 211.935 1.00 29.76 H +ATOM 8130 HG12 ILE A 539 168.807 190.193 209.896 1.00 34.04 H +ATOM 8131 HG13 ILE A 539 170.258 190.709 209.507 1.00 34.04 H +ATOM 8132 HG21 ILE A 539 168.700 189.612 212.542 1.00 30.83 H +ATOM 8133 HG22 ILE A 539 168.815 191.005 213.298 1.00 30.83 H +ATOM 8134 HG23 ILE A 539 167.847 190.858 212.047 1.00 30.83 H +ATOM 8135 HD11 ILE A 539 170.174 188.408 209.382 1.00 42.17 H +ATOM 8136 HD12 ILE A 539 171.190 188.851 210.520 1.00 42.17 H +ATOM 8137 HD13 ILE A 539 169.739 188.334 210.909 1.00 42.17 H +ATOM 8138 N CYS A 540 170.566 193.319 209.129 1.00 24.82 N +ATOM 8139 CA CYS A 540 171.525 193.725 208.109 1.00 25.56 C +ATOM 8140 C CYS A 540 171.925 195.190 208.266 1.00 27.27 C +ATOM 8141 O CYS A 540 172.855 195.655 207.607 1.00 32.01 O +ATOM 8142 CB CYS A 540 170.951 193.493 206.709 1.00 31.94 C +ATOM 8143 SG CYS A 540 170.522 191.778 206.346 1.00 26.87 S +ATOM 8144 H CYS A 540 169.744 193.390 208.884 1.00 29.78 H +ATOM 8145 HA CYS A 540 172.326 193.185 208.197 1.00 30.67 H +ATOM 8146 HB2 CYS A 540 170.144 194.024 206.614 1.00 38.33 H +ATOM 8147 HB3 CYS A 540 171.607 193.777 206.054 1.00 38.33 H +ATOM 8148 HG CYS A 540 171.508 191.101 206.439 1.00 32.24 H +ATOM 8149 N SER A 541 171.223 195.917 209.131 1.00 26.23 N +ATOM 8150 CA SER A 541 171.537 197.323 209.371 1.00 28.28 C +ATOM 8151 C SER A 541 172.813 197.433 210.212 1.00 24.13 C +ATOM 8152 O SER A 541 173.101 196.550 211.015 1.00 23.87 O +ATOM 8153 CB SER A 541 170.368 198.030 210.066 1.00 29.45 C +ATOM 8154 OG SER A 541 170.212 197.591 211.405 1.00 20.54 O +ATOM 8155 H SER A 541 170.560 195.620 209.591 1.00 31.47 H +ATOM 8156 HA SER A 541 171.696 197.764 208.522 1.00 33.93 H +ATOM 8157 HB2 SER A 541 170.536 198.986 210.067 1.00 35.33 H +ATOM 8158 HB3 SER A 541 169.552 197.840 209.577 1.00 35.33 H +ATOM 8159 HG SER A 541 170.064 196.765 211.421 1.00 24.65 H +ATOM 8160 N PRO A 542 173.584 198.518 210.027 1.00 21.08 N +ATOM 8161 CA PRO A 542 174.887 198.643 210.695 1.00 26.27 C +ATOM 8162 C PRO A 542 174.829 198.586 212.226 1.00 30.32 C +ATOM 8163 O PRO A 542 175.780 198.100 212.838 1.00 32.00 O +ATOM 8164 CB PRO A 542 175.397 200.013 210.224 1.00 23.51 C +ATOM 8165 CG PRO A 542 174.230 200.704 209.614 1.00 22.21 C +ATOM 8166 CD PRO A 542 173.326 199.641 209.111 1.00 23.44 C +ATOM 8167 HA PRO A 542 175.491 197.954 210.376 1.00 31.52 H +ATOM 8168 HB2 PRO A 542 175.729 200.514 210.986 1.00 28.21 H +ATOM 8169 HB3 PRO A 542 176.100 199.888 209.567 1.00 28.21 H +ATOM 8170 HG2 PRO A 542 173.782 201.238 210.289 1.00 26.65 H +ATOM 8171 HG3 PRO A 542 174.533 201.265 208.883 1.00 26.65 H +ATOM 8172 HD2 PRO A 542 172.400 199.925 209.175 1.00 28.12 H +ATOM 8173 HD3 PRO A 542 173.562 199.398 208.202 1.00 28.12 H +ATOM 8174 N ALA A 543 173.747 199.061 212.835 1.00 28.63 N +ATOM 8175 CA ALA A 543 173.617 199.002 214.290 1.00 29.08 C +ATOM 8176 C ALA A 543 173.533 197.559 214.793 1.00 31.70 C +ATOM 8177 O ALA A 543 173.963 197.257 215.906 1.00 19.99 O +ATOM 8178 CB ALA A 543 172.396 199.781 214.741 1.00 27.01 C +ATOM 8179 H ALA A 543 173.077 199.419 212.432 1.00 34.36 H +ATOM 8180 HA ALA A 543 174.398 199.413 214.692 1.00 34.89 H +ATOM 8181 HB1 ALA A 543 172.329 199.729 215.707 1.00 32.42 H +ATOM 8182 HB2 ALA A 543 172.492 200.706 214.465 1.00 32.42 H +ATOM 8183 HB3 ALA A 543 171.606 199.393 214.333 1.00 32.42 H +ATOM 8184 N TYR A 544 172.982 196.675 213.966 1.00 25.76 N +ATOM 8185 CA TYR A 544 172.762 195.284 214.354 1.00 26.29 C +ATOM 8186 C TYR A 544 173.880 194.337 213.921 1.00 31.82 C +ATOM 8187 O TYR A 544 174.222 193.406 214.646 1.00 28.39 O +ATOM 8188 CB TYR A 544 171.442 194.785 213.772 1.00 23.01 C +ATOM 8189 CG TYR A 544 170.225 195.146 214.588 1.00 23.00 C +ATOM 8190 CD1 TYR A 544 169.736 196.446 214.607 1.00 25.05 C +ATOM 8191 CD2 TYR A 544 169.556 194.184 215.332 1.00 20.65 C +ATOM 8192 CE1 TYR A 544 168.620 196.774 215.348 1.00 29.85 C +ATOM 8193 CE2 TYR A 544 168.444 194.503 216.073 1.00 23.08 C +ATOM 8194 CZ TYR A 544 167.978 195.797 216.078 1.00 19.93 C +ATOM 8195 OH TYR A 544 166.868 196.111 216.816 1.00 25.69 O +ATOM 8196 H TYR A 544 172.724 196.858 213.166 1.00 30.91 H +ATOM 8197 HA TYR A 544 172.695 195.238 215.320 1.00 31.55 H +ATOM 8198 HB2 TYR A 544 171.328 195.167 212.888 1.00 27.62 H +ATOM 8199 HB3 TYR A 544 171.477 193.817 213.707 1.00 27.62 H +ATOM 8200 HD1 TYR A 544 170.168 197.105 214.113 1.00 30.06 H +ATOM 8201 HD2 TYR A 544 169.867 193.307 215.330 1.00 24.78 H +ATOM 8202 HE1 TYR A 544 168.302 197.648 215.354 1.00 35.83 H +ATOM 8203 HE2 TYR A 544 168.007 193.847 216.567 1.00 27.69 H +ATOM 8204 HH TYR A 544 166.691 196.928 216.734 1.00 30.83 H +ATOM 8205 N TRP A 545 174.439 194.560 212.736 1.00 28.50 N +ATOM 8206 CA TRP A 545 175.385 193.611 212.161 1.00 35.08 C +ATOM 8207 C TRP A 545 176.721 193.678 212.902 1.00 35.30 C +ATOM 8208 O TRP A 545 177.714 194.195 212.393 1.00 29.00 O +ATOM 8209 CB TRP A 545 175.563 193.873 210.667 1.00 33.25 C +ATOM 8210 CG TRP A 545 176.274 192.773 209.934 1.00 40.57 C +ATOM 8211 CD1 TRP A 545 177.479 192.858 209.300 1.00 39.26 C +ATOM 8212 CD2 TRP A 545 175.825 191.422 209.760 1.00 37.47 C +ATOM 8213 NE1 TRP A 545 177.806 191.649 208.739 1.00 37.68 N +ATOM 8214 CE2 TRP A 545 176.809 190.750 209.008 1.00 37.59 C +ATOM 8215 CE3 TRP A 545 174.689 190.716 210.165 1.00 35.13 C +ATOM 8216 CZ2 TRP A 545 176.693 189.411 208.653 1.00 36.48 C +ATOM 8217 CZ3 TRP A 545 174.575 189.385 209.812 1.00 34.27 C +ATOM 8218 CH2 TRP A 545 175.572 188.746 209.063 1.00 33.73 C +ATOM 8219 H TRP A 545 174.288 195.251 212.246 1.00 34.20 H +ATOM 8220 HA TRP A 545 175.032 192.713 212.266 1.00 42.10 H +ATOM 8221 HB2 TRP A 545 174.688 193.981 210.263 1.00 39.90 H +ATOM 8222 HB3 TRP A 545 176.080 194.686 210.553 1.00 39.90 H +ATOM 8223 HD1 TRP A 545 178.001 193.626 209.250 1.00 47.11 H +ATOM 8224 HE1 TRP A 545 178.522 191.482 208.293 1.00 45.21 H +ATOM 8225 HE3 TRP A 545 174.023 191.134 210.662 1.00 42.16 H +ATOM 8226 HZ2 TRP A 545 177.353 188.984 208.157 1.00 43.78 H +ATOM 8227 HZ3 TRP A 545 173.824 188.905 210.076 1.00 41.13 H +ATOM 8228 HH2 TRP A 545 175.468 187.849 208.840 1.00 40.48 H +ATOM 8229 N LYS A 546 176.706 193.132 214.114 1.00 36.64 N +ATOM 8230 CA LYS A 546 177.815 193.169 215.055 1.00 32.34 C +ATOM 8231 C LYS A 546 177.899 191.804 215.724 1.00 36.49 C +ATOM 8232 O LYS A 546 176.867 191.175 215.943 1.00 37.62 O +ATOM 8233 CB LYS A 546 177.599 194.242 216.125 1.00 38.20 C +ATOM 8234 CG LYS A 546 177.813 195.682 215.709 1.00 41.07 C +ATOM 8235 CD LYS A 546 177.249 196.597 216.790 1.00 42.20 C +ATOM 8236 CE LYS A 546 177.925 197.957 216.839 1.00 63.98 C +ATOM 8237 NZ LYS A 546 177.466 198.870 215.768 1.00 58.72 N +ATOM 8238 H LYS A 546 176.023 192.713 214.427 1.00 43.97 H +ATOM 8239 HA LYS A 546 178.646 193.347 214.587 1.00 38.81 H +ATOM 8240 HB2 LYS A 546 176.686 194.170 216.445 1.00 45.84 H +ATOM 8241 HB3 LYS A 546 178.209 194.064 216.858 1.00 45.84 H +ATOM 8242 HG2 LYS A 546 178.762 195.859 215.613 1.00 49.29 H +ATOM 8243 HG3 LYS A 546 177.345 195.856 214.877 1.00 49.29 H +ATOM 8244 HD2 LYS A 546 176.305 196.740 216.621 1.00 50.64 H +ATOM 8245 HD3 LYS A 546 177.369 196.174 217.655 1.00 50.64 H +ATOM 8246 HE2 LYS A 546 177.730 198.376 217.693 1.00 76.77 H +ATOM 8247 HE3 LYS A 546 178.882 197.837 216.740 1.00 76.77 H +ATOM 8248 HZ1 LYS A 546 177.886 199.652 215.835 1.00 70.46 H +ATOM 8249 HZ2 LYS A 546 177.640 198.515 214.971 1.00 70.46 H +ATOM 8250 HZ3 LYS A 546 176.589 199.006 215.840 1.00 70.46 H +ATOM 8251 N PRO A 547 179.111 191.336 216.066 1.00 35.16 N +ATOM 8252 CA PRO A 547 179.155 190.054 216.781 1.00 36.57 C +ATOM 8253 C PRO A 547 178.420 190.084 218.124 1.00 29.65 C +ATOM 8254 O PRO A 547 177.826 189.077 218.506 1.00 27.50 O +ATOM 8255 CB PRO A 547 180.660 189.804 216.981 1.00 34.78 C +ATOM 8256 CG PRO A 547 181.348 191.078 216.615 1.00 43.31 C +ATOM 8257 CD PRO A 547 180.450 191.796 215.667 1.00 39.83 C +ATOM 8258 HA PRO A 547 178.785 189.348 216.228 1.00 43.88 H +ATOM 8259 HB2 PRO A 547 180.830 189.580 217.909 1.00 41.74 H +ATOM 8260 HB3 PRO A 547 180.948 189.083 216.399 1.00 41.74 H +ATOM 8261 HG2 PRO A 547 181.489 191.609 217.414 1.00 51.97 H +ATOM 8262 HG3 PRO A 547 182.196 190.876 216.189 1.00 51.97 H +ATOM 8263 HD2 PRO A 547 180.528 192.755 215.787 1.00 47.79 H +ATOM 8264 HD3 PRO A 547 180.641 191.533 214.753 1.00 47.79 H +ATOM 8265 N SER A 548 178.447 191.217 218.818 1.00 26.02 N +ATOM 8266 CA SER A 548 177.768 191.344 220.107 1.00 31.60 C +ATOM 8267 C SER A 548 176.265 191.090 220.004 1.00 30.99 C +ATOM 8268 O SER A 548 175.637 190.645 220.965 1.00 33.88 O +ATOM 8269 CB SER A 548 178.009 192.731 220.702 1.00 31.06 C +ATOM 8270 OG SER A 548 177.644 193.747 219.788 1.00 28.58 O +ATOM 8271 H SER A 548 178.852 191.932 218.564 1.00 31.23 H +ATOM 8272 HA SER A 548 178.138 190.690 220.721 1.00 37.92 H +ATOM 8273 HB2 SER A 548 177.476 192.826 221.507 1.00 37.27 H +ATOM 8274 HB3 SER A 548 178.951 192.823 220.915 1.00 37.27 H +ATOM 8275 HG SER A 548 178.099 193.678 219.085 1.00 34.30 H +ATOM 8276 N THR A 549 175.693 191.379 218.841 1.00 25.78 N +ATOM 8277 CA THR A 549 174.267 191.169 218.615 1.00 27.23 C +ATOM 8278 C THR A 549 173.923 189.684 218.670 1.00 27.94 C +ATOM 8279 O THR A 549 172.829 189.304 219.086 1.00 26.17 O +ATOM 8280 CB THR A 549 173.825 191.751 217.254 1.00 28.56 C +ATOM 8281 OG1 THR A 549 173.956 193.177 217.279 1.00 22.69 O +ATOM 8282 CG2 THR A 549 172.376 191.394 216.933 1.00 26.34 C +ATOM 8283 H THR A 549 176.112 191.700 218.162 1.00 30.93 H +ATOM 8284 HA THR A 549 173.766 191.621 219.313 1.00 32.67 H +ATOM 8285 HB THR A 549 174.389 191.390 216.552 1.00 34.27 H +ATOM 8286 HG1 THR A 549 173.717 193.501 216.541 1.00 27.23 H +ATOM 8287 HG21 THR A 549 172.124 191.770 216.075 1.00 31.61 H +ATOM 8288 HG22 THR A 549 172.272 190.430 216.897 1.00 31.61 H +ATOM 8289 HG23 THR A 549 171.788 191.749 217.618 1.00 31.61 H +ATOM 8290 N PHE A 550 174.871 188.850 218.258 1.00 23.44 N +ATOM 8291 CA PHE A 550 174.639 187.416 218.143 1.00 34.37 C +ATOM 8292 C PHE A 550 175.419 186.625 219.193 1.00 29.47 C +ATOM 8293 O PHE A 550 175.700 185.445 219.007 1.00 26.60 O +ATOM 8294 CB PHE A 550 175.002 186.949 216.734 1.00 36.77 C +ATOM 8295 CG PHE A 550 174.390 187.790 215.649 1.00 30.63 C +ATOM 8296 CD1 PHE A 550 173.066 187.613 215.281 1.00 31.31 C +ATOM 8297 CD2 PHE A 550 175.133 188.763 215.006 1.00 22.65 C +ATOM 8298 CE1 PHE A 550 172.500 188.388 214.288 1.00 31.87 C +ATOM 8299 CE2 PHE A 550 174.573 189.539 214.014 1.00 26.72 C +ATOM 8300 CZ PHE A 550 173.257 189.354 213.653 1.00 33.39 C +ATOM 8301 H PHE A 550 175.665 189.093 218.036 1.00 28.13 H +ATOM 8302 HA PHE A 550 173.695 187.240 218.281 1.00 41.25 H +ATOM 8303 HB2 PHE A 550 175.966 186.985 216.630 1.00 44.12 H +ATOM 8304 HB3 PHE A 550 174.692 186.038 216.616 1.00 44.12 H +ATOM 8305 HD1 PHE A 550 172.554 186.964 215.706 1.00 37.57 H +ATOM 8306 HD2 PHE A 550 176.022 188.893 215.245 1.00 27.18 H +ATOM 8307 HE1 PHE A 550 171.611 188.260 214.046 1.00 38.24 H +ATOM 8308 HE2 PHE A 550 175.085 190.189 213.589 1.00 32.06 H +ATOM 8309 HZ PHE A 550 172.879 189.878 212.983 1.00 40.07 H +ATOM 8310 N GLY A 551 175.767 187.285 220.293 1.00 30.50 N +ATOM 8311 CA GLY A 551 176.372 186.616 221.431 1.00 33.93 C +ATOM 8312 C GLY A 551 177.886 186.502 221.380 1.00 35.60 C +ATOM 8313 O GLY A 551 178.488 185.883 222.254 1.00 34.29 O +ATOM 8314 H GLY A 551 175.659 188.131 220.404 1.00 36.60 H +ATOM 8315 HA2 GLY A 551 176.137 187.097 222.240 1.00 40.72 H +ATOM 8316 HA3 GLY A 551 176.008 185.720 221.499 1.00 40.72 H +ATOM 8317 N GLY A 552 178.499 187.101 220.364 1.00 32.86 N +ATOM 8318 CA GLY A 552 179.942 187.050 220.194 1.00 28.15 C +ATOM 8319 C GLY A 552 180.340 186.489 218.843 1.00 31.62 C +ATOM 8320 O GLY A 552 179.499 186.289 217.971 1.00 32.66 O +ATOM 8321 H GLY A 552 178.093 187.549 219.753 1.00 39.43 H +ATOM 8322 HA2 GLY A 552 180.309 187.944 220.277 1.00 33.78 H +ATOM 8323 HA3 GLY A 552 180.330 186.492 220.886 1.00 33.78 H +ATOM 8324 N GLU A 553 181.629 186.222 218.677 1.00 36.81 N +ATOM 8325 CA GLU A 553 182.160 185.771 217.397 1.00 32.68 C +ATOM 8326 C GLU A 553 181.686 184.368 217.023 1.00 30.70 C +ATOM 8327 O GLU A 553 181.524 184.063 215.845 1.00 30.11 O +ATOM 8328 CB GLU A 553 183.688 185.806 217.420 1.00 30.36 C +ATOM 8329 CG GLU A 553 184.269 187.202 217.581 1.00 38.18 C +ATOM 8330 CD GLU A 553 184.069 188.079 216.357 1.00 46.63 C +ATOM 8331 OE1 GLU A 553 183.602 187.571 215.314 1.00 40.13 O +ATOM 8332 OE2 GLU A 553 184.387 189.284 216.439 1.00 45.85 O +ATOM 8333 H GLU A 553 182.223 186.295 219.295 1.00 44.17 H +ATOM 8334 HA GLU A 553 181.860 186.379 216.703 1.00 39.22 H +ATOM 8335 HB2 GLU A 553 184.001 185.267 218.164 1.00 36.43 H +ATOM 8336 HB3 GLU A 553 184.021 185.440 216.586 1.00 36.43 H +ATOM 8337 HG2 GLU A 553 183.840 187.637 218.333 1.00 45.81 H +ATOM 8338 HG3 GLU A 553 185.223 187.128 217.742 1.00 45.81 H +ATOM 8339 N VAL A 554 181.472 183.517 218.021 1.00 29.35 N +ATOM 8340 CA VAL A 554 181.026 182.154 217.766 1.00 29.49 C +ATOM 8341 C VAL A 554 179.629 182.171 217.167 1.00 30.96 C +ATOM 8342 O VAL A 554 179.386 181.554 216.132 1.00 30.89 O +ATOM 8343 CB VAL A 554 181.041 181.299 219.052 1.00 36.05 C +ATOM 8344 CG1 VAL A 554 180.417 179.921 218.808 1.00 32.69 C +ATOM 8345 CG2 VAL A 554 182.463 181.145 219.560 1.00 33.98 C +ATOM 8346 H VAL A 554 181.578 183.705 218.853 1.00 35.21 H +ATOM 8347 HA VAL A 554 181.624 181.740 217.123 1.00 35.38 H +ATOM 8348 HB VAL A 554 180.522 181.748 219.738 1.00 43.26 H +ATOM 8349 HG11 VAL A 554 180.443 179.413 219.633 1.00 39.23 H +ATOM 8350 HG12 VAL A 554 179.499 180.038 218.518 1.00 39.23 H +ATOM 8351 HG13 VAL A 554 180.926 179.463 218.121 1.00 39.23 H +ATOM 8352 HG21 VAL A 554 182.453 180.607 220.367 1.00 40.78 H +ATOM 8353 HG22 VAL A 554 182.996 180.709 218.877 1.00 40.78 H +ATOM 8354 HG23 VAL A 554 182.826 182.024 219.752 1.00 40.78 H +ATOM 8355 N GLY A 555 178.714 182.879 217.820 1.00 33.69 N +ATOM 8356 CA GLY A 555 177.364 183.022 217.314 1.00 30.50 C +ATOM 8357 C GLY A 555 177.362 183.676 215.949 1.00 28.99 C +ATOM 8358 O GLY A 555 176.619 183.276 215.053 1.00 22.08 O +ATOM 8359 H GLY A 555 178.856 183.288 218.563 1.00 40.42 H +ATOM 8360 HA2 GLY A 555 176.947 182.149 217.241 1.00 36.60 H +ATOM 8361 HA3 GLY A 555 176.841 183.567 217.922 1.00 36.60 H +ATOM 8362 N PHE A 556 178.206 184.690 215.796 1.00 31.29 N +ATOM 8363 CA PHE A 556 178.315 185.427 214.544 1.00 29.04 C +ATOM 8364 C PHE A 556 178.782 184.501 213.424 1.00 34.58 C +ATOM 8365 O PHE A 556 178.341 184.620 212.279 1.00 29.89 O +ATOM 8366 CB PHE A 556 179.288 186.603 214.717 1.00 31.45 C +ATOM 8367 CG PHE A 556 179.126 187.710 213.704 1.00 32.16 C +ATOM 8368 CD1 PHE A 556 177.884 188.051 213.203 1.00 31.08 C +ATOM 8369 CD2 PHE A 556 180.234 188.419 213.266 1.00 37.69 C +ATOM 8370 CE1 PHE A 556 177.748 189.069 212.282 1.00 33.41 C +ATOM 8371 CE2 PHE A 556 180.104 189.439 212.346 1.00 39.41 C +ATOM 8372 CZ PHE A 556 178.857 189.767 211.854 1.00 40.96 C +ATOM 8373 H PHE A 556 178.734 184.974 216.412 1.00 37.55 H +ATOM 8374 HA PHE A 556 177.445 185.782 214.303 1.00 34.85 H +ATOM 8375 HB2 PHE A 556 179.154 186.988 215.597 1.00 37.74 H +ATOM 8376 HB3 PHE A 556 180.195 186.267 214.643 1.00 37.74 H +ATOM 8377 HD1 PHE A 556 177.130 187.586 213.488 1.00 37.29 H +ATOM 8378 HD2 PHE A 556 181.076 188.204 213.595 1.00 45.23 H +ATOM 8379 HE1 PHE A 556 176.906 189.287 211.952 1.00 40.09 H +ATOM 8380 HE2 PHE A 556 180.855 189.906 212.059 1.00 47.30 H +ATOM 8381 HZ PHE A 556 178.766 190.452 211.232 1.00 49.15 H +ATOM 8382 N GLN A 557 179.675 183.575 213.763 1.00 29.42 N +ATOM 8383 CA GLN A 557 180.255 182.676 212.772 1.00 36.19 C +ATOM 8384 C GLN A 557 179.247 181.644 212.280 1.00 30.10 C +ATOM 8385 O GLN A 557 179.337 181.173 211.147 1.00 28.87 O +ATOM 8386 CB GLN A 557 181.480 181.959 213.346 1.00 39.73 C +ATOM 8387 CG GLN A 557 182.794 182.314 212.665 1.00 51.11 C +ATOM 8388 CD GLN A 557 183.571 181.090 212.228 1.00 61.89 C +ATOM 8389 OE1 GLN A 557 183.705 180.121 212.977 1.00 59.45 O +ATOM 8390 NE2 GLN A 557 184.082 181.124 211.004 1.00 63.36 N +ATOM 8391 H GLN A 557 179.962 183.448 214.564 1.00 35.30 H +ATOM 8392 HA GLN A 557 180.546 183.197 212.007 1.00 43.43 H +ATOM 8393 HB2 GLN A 557 181.563 182.190 214.284 1.00 47.68 H +ATOM 8394 HB3 GLN A 557 181.351 181.002 213.255 1.00 47.68 H +ATOM 8395 HG2 GLN A 557 182.608 182.849 211.878 1.00 61.33 H +ATOM 8396 HG3 GLN A 557 183.347 182.815 213.285 1.00 61.33 H +ATOM 8397 HE21 GLN A 557 183.963 181.816 210.508 1.00 76.03 H +ATOM 8398 HE22 GLN A 557 184.532 180.454 210.707 1.00 76.03 H +ATOM 8399 N ILE A 558 178.296 181.290 213.139 1.00 30.21 N +ATOM 8400 CA ILE A 558 177.241 180.359 212.763 1.00 27.96 C +ATOM 8401 C ILE A 558 176.491 180.909 211.556 1.00 29.38 C +ATOM 8402 O ILE A 558 176.189 180.181 210.615 1.00 30.35 O +ATOM 8403 CB ILE A 558 176.260 180.107 213.930 1.00 27.92 C +ATOM 8404 CG1 ILE A 558 176.975 179.364 215.063 1.00 26.77 C +ATOM 8405 CG2 ILE A 558 175.048 179.307 213.457 1.00 22.29 C +ATOM 8406 CD1 ILE A 558 176.146 179.183 216.317 1.00 25.84 C +ATOM 8407 H ILE A 558 178.240 181.576 213.948 1.00 36.26 H +ATOM 8408 HA ILE A 558 177.639 179.510 212.512 1.00 33.55 H +ATOM 8409 HB ILE A 558 175.953 180.963 214.267 1.00 33.51 H +ATOM 8410 HG12 ILE A 558 177.226 178.483 214.747 1.00 32.12 H +ATOM 8411 HG13 ILE A 558 177.771 179.863 215.307 1.00 32.12 H +ATOM 8412 HG21 ILE A 558 174.451 179.164 214.208 1.00 26.75 H +ATOM 8413 HG22 ILE A 558 174.591 179.807 212.762 1.00 26.75 H +ATOM 8414 HG23 ILE A 558 175.350 178.454 213.107 1.00 26.75 H +ATOM 8415 HD11 ILE A 558 176.673 178.707 216.977 1.00 31.00 H +ATOM 8416 HD12 ILE A 558 175.897 180.056 216.659 1.00 31.00 H +ATOM 8417 HD13 ILE A 558 175.351 178.673 216.097 1.00 31.00 H +ATOM 8418 N ILE A 559 176.205 182.204 211.588 1.00 28.24 N +ATOM 8419 CA ILE A 559 175.530 182.860 210.480 1.00 34.80 C +ATOM 8420 C ILE A 559 176.393 182.807 209.226 1.00 32.73 C +ATOM 8421 O ILE A 559 175.954 182.358 208.168 1.00 26.90 O +ATOM 8422 CB ILE A 559 175.200 184.331 210.818 1.00 34.66 C +ATOM 8423 CG1 ILE A 559 174.133 184.390 211.916 1.00 33.75 C +ATOM 8424 CG2 ILE A 559 174.726 185.086 209.571 1.00 34.24 C +ATOM 8425 CD1 ILE A 559 173.876 185.786 212.462 1.00 34.69 C +ATOM 8426 H ILE A 559 176.392 182.727 212.245 1.00 33.89 H +ATOM 8427 HA ILE A 559 174.698 182.397 210.295 1.00 41.76 H +ATOM 8428 HB ILE A 559 176.005 184.758 211.148 1.00 41.59 H +ATOM 8429 HG12 ILE A 559 173.297 184.056 211.556 1.00 40.50 H +ATOM 8430 HG13 ILE A 559 174.417 183.832 212.656 1.00 40.50 H +ATOM 8431 HG21 ILE A 559 174.527 186.004 209.815 1.00 41.09 H +ATOM 8432 HG22 ILE A 559 175.430 185.066 208.904 1.00 41.09 H +ATOM 8433 HG23 ILE A 559 173.930 184.655 209.224 1.00 41.09 H +ATOM 8434 HD11 ILE A 559 173.192 185.736 213.148 1.00 41.62 H +ATOM 8435 HD12 ILE A 559 174.699 186.134 212.840 1.00 41.62 H +ATOM 8436 HD13 ILE A 559 173.577 186.358 211.737 1.00 41.62 H +ATOM 8437 N ASN A 560 177.630 183.261 209.354 1.00 30.93 N +ATOM 8438 CA ASN A 560 178.472 183.476 208.191 1.00 37.96 C +ATOM 8439 C ASN A 560 179.083 182.198 207.610 1.00 33.60 C +ATOM 8440 O ASN A 560 179.734 182.252 206.574 1.00 36.61 O +ATOM 8441 CB ASN A 560 179.572 184.475 208.544 1.00 42.66 C +ATOM 8442 CG ASN A 560 179.026 185.875 208.777 1.00 42.04 C +ATOM 8443 OD1 ASN A 560 179.221 186.467 209.838 1.00 32.92 O +ATOM 8444 ND2 ASN A 560 178.324 186.403 207.783 1.00 31.73 N +ATOM 8445 H ASN A 560 178.006 183.453 210.104 1.00 37.11 H +ATOM 8446 HA ASN A 560 177.930 183.877 207.494 1.00 45.56 H +ATOM 8447 HB2 ASN A 560 180.016 184.186 209.357 1.00 51.19 H +ATOM 8448 HB3 ASN A 560 180.209 184.518 207.814 1.00 51.19 H +ATOM 8449 HD21 ASN A 560 177.992 187.193 207.863 1.00 38.07 H +ATOM 8450 HD22 ASN A 560 178.201 185.957 207.058 1.00 38.07 H +ATOM 8451 N THR A 561 178.858 181.057 208.262 1.00 32.71 N +ATOM 8452 CA THR A 561 179.291 179.761 207.733 1.00 32.23 C +ATOM 8453 C THR A 561 178.114 178.832 207.443 1.00 37.35 C +ATOM 8454 O THR A 561 178.306 177.642 207.194 1.00 43.11 O +ATOM 8455 CB THR A 561 180.246 179.031 208.704 1.00 32.29 C +ATOM 8456 OG1 THR A 561 179.586 178.809 209.958 1.00 33.01 O +ATOM 8457 CG2 THR A 561 181.510 179.839 208.930 1.00 32.83 C +ATOM 8458 H THR A 561 178.453 181.006 209.019 1.00 39.25 H +ATOM 8459 HA THR A 561 179.767 179.906 206.900 1.00 38.68 H +ATOM 8460 HB THR A 561 180.497 178.176 208.321 1.00 38.74 H +ATOM 8461 HG1 THR A 561 179.359 179.543 210.297 1.00 39.62 H +ATOM 8462 HG21 THR A 561 182.099 179.369 209.541 1.00 39.39 H +ATOM 8463 HG22 THR A 561 181.972 179.973 208.087 1.00 39.39 H +ATOM 8464 HG23 THR A 561 181.288 180.704 209.308 1.00 39.39 H +ATOM 8465 N ALA A 562 176.899 179.370 207.473 1.00 40.01 N +ATOM 8466 CA ALA A 562 175.702 178.554 207.290 1.00 35.70 C +ATOM 8467 C ALA A 562 175.487 178.157 205.833 1.00 31.25 C +ATOM 8468 O ALA A 562 175.778 178.921 204.914 1.00 31.17 O +ATOM 8469 CB ALA A 562 174.478 179.290 207.811 1.00 32.78 C +ATOM 8470 H ALA A 562 176.739 180.206 207.597 1.00 48.01 H +ATOM 8471 HA ALA A 562 175.799 177.739 207.807 1.00 42.84 H +ATOM 8472 HB1 ALA A 562 173.695 178.733 207.681 1.00 39.34 H +ATOM 8473 HB2 ALA A 562 174.599 179.475 208.756 1.00 39.34 H +ATOM 8474 HB3 ALA A 562 174.378 180.122 207.322 1.00 39.34 H +ATOM 8475 N SER A 563 174.968 176.949 205.641 1.00 30.97 N +ATOM 8476 CA SER A 563 174.596 176.456 204.321 1.00 28.66 C +ATOM 8477 C SER A 563 173.484 175.429 204.472 1.00 25.99 C +ATOM 8478 O SER A 563 173.270 174.903 205.564 1.00 26.45 O +ATOM 8479 CB SER A 563 175.799 175.840 203.611 1.00 27.70 C +ATOM 8480 OG SER A 563 176.276 174.706 204.313 1.00 30.55 O +ATOM 8481 H SER A 563 174.819 176.386 206.273 1.00 37.17 H +ATOM 8482 HA SER A 563 174.265 177.191 203.783 1.00 34.40 H +ATOM 8483 HB2 SER A 563 175.533 175.569 202.718 1.00 33.24 H +ATOM 8484 HB3 SER A 563 176.508 176.501 203.559 1.00 33.24 H +ATOM 8485 HG SER A 563 176.937 174.377 203.913 1.00 36.66 H +ATOM 8486 N ILE A 564 172.774 175.147 203.386 1.00 23.24 N +ATOM 8487 CA ILE A 564 171.735 174.127 203.412 1.00 34.02 C +ATOM 8488 C ILE A 564 172.336 172.786 203.830 1.00 32.70 C +ATOM 8489 O ILE A 564 171.690 171.998 204.515 1.00 34.79 O +ATOM 8490 CB ILE A 564 171.026 173.988 202.037 1.00 37.50 C +ATOM 8491 CG1 ILE A 564 169.856 173.000 202.117 1.00 39.62 C +ATOM 8492 CG2 ILE A 564 172.012 173.568 200.947 1.00 41.79 C +ATOM 8493 CD1 ILE A 564 168.679 173.501 202.925 1.00 42.15 C +ATOM 8494 H ILE A 564 172.875 175.530 202.623 1.00 27.89 H +ATOM 8495 HA ILE A 564 171.066 174.375 204.070 1.00 40.82 H +ATOM 8496 HB ILE A 564 170.667 174.857 201.796 1.00 45.01 H +ATOM 8497 HG12 ILE A 564 169.540 172.817 201.218 1.00 47.54 H +ATOM 8498 HG13 ILE A 564 170.169 172.179 202.528 1.00 47.54 H +ATOM 8499 HG21 ILE A 564 171.538 173.490 200.105 1.00 50.15 H +ATOM 8500 HG22 ILE A 564 172.708 174.240 200.876 1.00 50.15 H +ATOM 8501 HG23 ILE A 564 172.402 172.712 201.188 1.00 50.15 H +ATOM 8502 HD11 ILE A 564 167.986 172.823 202.928 1.00 50.57 H +ATOM 8503 HD12 ILE A 564 168.973 173.678 203.833 1.00 50.57 H +ATOM 8504 HD13 ILE A 564 168.344 174.317 202.521 1.00 50.57 H +ATOM 8505 N GLN A 565 173.582 172.543 203.435 1.00 38.37 N +ATOM 8506 CA GLN A 565 174.260 171.293 203.770 1.00 40.24 C +ATOM 8507 C GLN A 565 174.596 171.218 205.257 1.00 29.89 C +ATOM 8508 O GLN A 565 174.385 170.187 205.890 1.00 35.15 O +ATOM 8509 CB GLN A 565 175.535 171.130 202.934 1.00 37.75 C +ATOM 8510 CG GLN A 565 176.330 169.861 203.230 1.00 35.59 C +ATOM 8511 CD GLN A 565 175.541 168.587 202.963 1.00 53.15 C +ATOM 8512 OE1 GLN A 565 175.626 168.008 201.881 1.00 48.49 O +ATOM 8513 NE2 GLN A 565 174.773 168.142 203.954 1.00 42.69 N +ATOM 8514 H GLN A 565 174.059 173.086 202.969 1.00 46.05 H +ATOM 8515 HA GLN A 565 173.670 170.552 203.561 1.00 48.28 H +ATOM 8516 HB2 GLN A 565 175.290 171.111 201.995 1.00 45.29 H +ATOM 8517 HB3 GLN A 565 176.116 171.888 203.104 1.00 45.29 H +ATOM 8518 HG2 GLN A 565 177.121 169.846 202.669 1.00 42.71 H +ATOM 8519 HG3 GLN A 565 176.588 169.862 204.166 1.00 42.71 H +ATOM 8520 HE21 GLN A 565 174.740 168.571 204.699 1.00 51.23 H +ATOM 8521 HE22 GLN A 565 174.308 167.426 203.849 1.00 51.23 H +ATOM 8522 N SER A 566 175.119 172.305 205.814 1.00 33.61 N +ATOM 8523 CA SER A 566 175.492 172.326 207.227 1.00 31.97 C +ATOM 8524 C SER A 566 174.263 172.303 208.136 1.00 29.29 C +ATOM 8525 O SER A 566 174.321 171.777 209.246 1.00 31.48 O +ATOM 8526 CB SER A 566 176.348 173.552 207.543 1.00 29.63 C +ATOM 8527 OG SER A 566 175.569 174.734 207.545 1.00 39.62 O +ATOM 8528 H SER A 566 175.269 173.043 205.398 1.00 40.33 H +ATOM 8529 HA SER A 566 176.020 171.536 207.423 1.00 38.37 H +ATOM 8530 HB2 SER A 566 176.749 173.438 208.419 1.00 35.55 H +ATOM 8531 HB3 SER A 566 177.041 173.633 206.870 1.00 35.55 H +ATOM 8532 HG SER A 566 176.054 175.397 207.720 1.00 47.54 H +ATOM 8533 N LEU A 567 173.157 172.875 207.670 1.00 33.59 N +ATOM 8534 CA LEU A 567 171.903 172.816 208.414 1.00 34.17 C +ATOM 8535 C LEU A 567 171.467 171.366 208.561 1.00 32.02 C +ATOM 8536 O LEU A 567 171.140 170.913 209.656 1.00 34.26 O +ATOM 8537 CB LEU A 567 170.808 173.626 207.718 1.00 30.12 C +ATOM 8538 CG LEU A 567 169.459 173.679 208.447 1.00 30.51 C +ATOM 8539 CD1 LEU A 567 169.542 174.589 209.657 1.00 29.19 C +ATOM 8540 CD2 LEU A 567 168.337 174.122 207.516 1.00 30.65 C +ATOM 8541 H LEU A 567 173.107 173.303 206.926 1.00 40.31 H +ATOM 8542 HA LEU A 567 172.039 173.186 209.300 1.00 41.01 H +ATOM 8543 HB2 LEU A 567 171.119 174.539 207.616 1.00 36.14 H +ATOM 8544 HB3 LEU A 567 170.650 173.239 206.842 1.00 36.14 H +ATOM 8545 HG LEU A 567 169.243 172.788 208.763 1.00 36.61 H +ATOM 8546 HD11 LEU A 567 168.679 174.605 210.099 1.00 35.03 H +ATOM 8547 HD12 LEU A 567 170.218 174.247 210.263 1.00 35.03 H +ATOM 8548 HD13 LEU A 567 169.781 175.482 209.365 1.00 35.03 H +ATOM 8549 HD21 LEU A 567 167.504 174.143 208.013 1.00 36.78 H +ATOM 8550 HD22 LEU A 567 168.541 175.007 207.175 1.00 36.78 H +ATOM 8551 HD23 LEU A 567 168.269 173.492 206.782 1.00 36.78 H +ATOM 8552 N ILE A 568 171.467 170.645 207.446 1.00 37.43 N +ATOM 8553 CA ILE A 568 171.113 169.233 207.441 1.00 44.45 C +ATOM 8554 C ILE A 568 172.149 168.431 208.223 1.00 37.63 C +ATOM 8555 O ILE A 568 171.798 167.590 209.046 1.00 35.30 O +ATOM 8556 CB ILE A 568 170.983 168.699 205.991 1.00 34.79 C +ATOM 8557 CG1 ILE A 568 169.538 168.836 205.507 1.00 34.85 C +ATOM 8558 CG2 ILE A 568 171.399 167.228 205.881 1.00 48.34 C +ATOM 8559 CD1 ILE A 568 168.994 170.248 205.550 1.00 38.55 C +ATOM 8560 H ILE A 568 171.671 170.956 206.670 1.00 44.92 H +ATOM 8561 HA ILE A 568 170.255 169.121 207.879 1.00 53.34 H +ATOM 8562 HB ILE A 568 171.555 169.228 205.413 1.00 41.74 H +ATOM 8563 HG12 ILE A 568 169.488 168.529 204.588 1.00 41.83 H +ATOM 8564 HG13 ILE A 568 168.970 168.284 206.067 1.00 41.83 H +ATOM 8565 HG21 ILE A 568 171.301 166.940 204.960 1.00 58.01 H +ATOM 8566 HG22 ILE A 568 172.325 167.140 206.158 1.00 58.01 H +ATOM 8567 HG23 ILE A 568 170.829 166.695 206.457 1.00 58.01 H +ATOM 8568 HD11 ILE A 568 168.079 170.243 205.228 1.00 46.26 H +ATOM 8569 HD12 ILE A 568 169.022 170.568 206.465 1.00 46.26 H +ATOM 8570 HD13 ILE A 568 169.541 170.814 204.984 1.00 46.26 H +ATOM 8571 N CYS A 569 173.423 168.711 207.974 1.00 35.70 N +ATOM 8572 CA CYS A 569 174.508 167.965 208.604 1.00 41.80 C +ATOM 8573 C CYS A 569 174.487 168.075 210.127 1.00 36.30 C +ATOM 8574 O CYS A 569 174.811 167.118 210.826 1.00 40.65 O +ATOM 8575 CB CYS A 569 175.858 168.450 208.074 1.00 47.75 C +ATOM 8576 SG CYS A 569 177.265 167.452 208.613 1.00 61.01 S +ATOM 8577 H CYS A 569 173.688 169.331 207.440 1.00 42.84 H +ATOM 8578 HA CYS A 569 174.418 167.028 208.373 1.00 50.17 H +ATOM 8579 HB2 CYS A 569 175.837 168.431 207.104 1.00 57.30 H +ATOM 8580 HB3 CYS A 569 176.006 169.358 208.381 1.00 57.30 H +ATOM 8581 N ASN A 570 174.100 169.238 210.639 1.00 41.55 N +ATOM 8582 CA ASN A 570 174.105 169.475 212.080 1.00 40.49 C +ATOM 8583 C ASN A 570 172.899 168.891 212.811 1.00 38.90 C +ATOM 8584 O ASN A 570 172.991 168.572 213.994 1.00 38.37 O +ATOM 8585 CB ASN A 570 174.172 170.976 212.369 1.00 37.26 C +ATOM 8586 CG ASN A 570 175.572 171.542 212.225 1.00 37.31 C +ATOM 8587 OD1 ASN A 570 176.563 170.821 212.327 1.00 38.78 O +ATOM 8588 ND2 ASN A 570 175.658 172.848 211.998 1.00 44.09 N +ATOM 8589 H ASN A 570 173.831 169.908 210.173 1.00 49.86 H +ATOM 8590 HA ASN A 570 174.900 169.068 212.457 1.00 48.58 H +ATOM 8591 HB2 ASN A 570 173.594 171.443 211.745 1.00 44.72 H +ATOM 8592 HB3 ASN A 570 173.877 171.136 213.279 1.00 44.72 H +ATOM 8593 HD21 ASN A 570 176.428 173.220 211.909 1.00 52.91 H +ATOM 8594 HD22 ASN A 570 174.943 173.323 211.941 1.00 52.91 H +ATOM 8595 N ASN A 571 171.776 168.750 212.113 1.00 36.56 N +ATOM 8596 CA ASN A 571 170.510 168.411 212.761 1.00 40.20 C +ATOM 8597 C ASN A 571 169.851 167.132 212.250 1.00 44.45 C +ATOM 8598 O ASN A 571 168.791 166.743 212.741 1.00 41.48 O +ATOM 8599 CB ASN A 571 169.530 169.572 212.605 1.00 38.71 C +ATOM 8600 CG ASN A 571 170.048 170.853 213.226 1.00 36.08 C +ATOM 8601 OD1 ASN A 571 170.128 170.977 214.448 1.00 30.12 O +ATOM 8602 ND2 ASN A 571 170.404 171.815 212.386 1.00 30.97 N +ATOM 8603 H ASN A 571 171.719 168.846 211.260 1.00 43.87 H +ATOM 8604 HA ASN A 571 170.674 168.293 213.709 1.00 48.24 H +ATOM 8605 HB2 ASN A 571 169.379 169.735 211.661 1.00 46.45 H +ATOM 8606 HB3 ASN A 571 168.695 169.343 213.042 1.00 46.45 H +ATOM 8607 HD21 ASN A 571 170.705 172.562 212.689 1.00 37.16 H +ATOM 8608 HD22 ASN A 571 170.335 171.693 211.538 1.00 37.16 H +ATOM 8609 N VAL A 572 170.477 166.480 211.275 1.00 43.67 N +ATOM 8610 CA VAL A 572 169.950 165.237 210.717 1.00 45.91 C +ATOM 8611 C VAL A 572 170.921 164.088 210.974 1.00 47.67 C +ATOM 8612 O VAL A 572 172.116 164.195 210.704 1.00 47.56 O +ATOM 8613 CB VAL A 572 169.682 165.367 209.206 1.00 43.76 C +ATOM 8614 CG1 VAL A 572 169.123 164.068 208.642 1.00 41.73 C +ATOM 8615 CG2 VAL A 572 168.718 166.519 208.945 1.00 38.90 C +ATOM 8616 H VAL A 572 171.215 166.738 210.917 1.00 52.40 H +ATOM 8617 HA VAL A 572 169.111 165.025 211.153 1.00 55.09 H +ATOM 8618 HB VAL A 572 170.516 165.560 208.750 1.00 52.51 H +ATOM 8619 HG11 VAL A 572 168.964 164.179 207.692 1.00 50.07 H +ATOM 8620 HG12 VAL A 572 169.766 163.357 208.790 1.00 50.07 H +ATOM 8621 HG13 VAL A 572 168.290 163.861 209.095 1.00 50.07 H +ATOM 8622 HG21 VAL A 572 168.559 166.588 207.991 1.00 46.68 H +ATOM 8623 HG22 VAL A 572 167.884 166.343 209.408 1.00 46.68 H +ATOM 8624 HG23 VAL A 572 169.113 167.342 209.275 1.00 46.68 H +ATOM 8625 N LYS A 573 170.387 162.993 211.503 1.00 58.74 N +ATOM 8626 CA LYS A 573 171.184 161.825 211.855 1.00 46.18 C +ATOM 8627 C LYS A 573 171.875 161.240 210.630 1.00 47.95 C +ATOM 8628 O LYS A 573 171.251 161.059 209.585 1.00 37.25 O +ATOM 8629 CB LYS A 573 170.299 160.766 212.514 1.00 47.12 C +ATOM 8630 CG LYS A 573 171.060 159.650 213.201 1.00 57.18 C +ATOM 8631 CD LYS A 573 170.110 158.570 213.689 1.00 63.83 C +ATOM 8632 CE LYS A 573 170.824 157.534 214.536 1.00 70.03 C +ATOM 8633 NZ LYS A 573 169.926 156.401 214.883 1.00 74.81 N +ATOM 8634 H LYS A 573 169.548 162.901 211.671 1.00 70.49 H +ATOM 8635 HA LYS A 573 171.868 162.087 212.492 1.00 55.42 H +ATOM 8636 HB2 LYS A 573 169.743 161.198 213.182 1.00 56.54 H +ATOM 8637 HB3 LYS A 573 169.737 160.364 211.833 1.00 56.54 H +ATOM 8638 HG2 LYS A 573 171.682 159.250 212.573 1.00 68.62 H +ATOM 8639 HG3 LYS A 573 171.536 160.008 213.967 1.00 68.62 H +ATOM 8640 HD2 LYS A 573 169.415 158.977 214.229 1.00 76.59 H +ATOM 8641 HD3 LYS A 573 169.719 158.120 212.924 1.00 76.59 H +ATOM 8642 HE2 LYS A 573 171.580 157.182 214.041 1.00 84.04 H +ATOM 8643 HE3 LYS A 573 171.125 157.947 215.361 1.00 84.04 H +ATOM 8644 HZ1 LYS A 573 170.365 155.806 215.379 1.00 89.78 H +ATOM 8645 HZ2 LYS A 573 169.224 156.699 215.341 1.00 89.78 H +ATOM 8646 HZ3 LYS A 573 169.639 156.003 214.140 1.00 89.78 H +ATOM 8647 N GLY A 574 173.167 160.952 210.765 1.00 44.21 N +ATOM 8648 CA GLY A 574 173.945 160.378 209.682 1.00 50.25 C +ATOM 8649 C GLY A 574 174.587 161.426 208.791 1.00 58.77 C +ATOM 8650 O GLY A 574 175.459 161.105 207.982 1.00 53.77 O +ATOM 8651 H GLY A 574 173.618 161.083 211.486 1.00 53.05 H +ATOM 8652 HA2 GLY A 574 174.647 159.821 210.052 1.00 60.30 H +ATOM 8653 HA3 GLY A 574 173.370 159.822 209.134 1.00 60.30 H +ATOM 8654 N CYS A 575 174.155 162.676 208.940 1.00 59.50 N +ATOM 8655 CA CYS A 575 174.689 163.786 208.153 1.00 51.62 C +ATOM 8656 C CYS A 575 174.644 163.475 206.660 1.00 42.92 C +ATOM 8657 O CYS A 575 175.682 163.426 206.002 1.00 44.46 O +ATOM 8658 CB CYS A 575 176.124 164.103 208.585 1.00 48.11 C +ATOM 8659 SG CYS A 575 176.821 165.615 207.858 1.00 63.06 S +ATOM 8660 H CYS A 575 173.543 162.910 209.498 1.00 71.40 H +ATOM 8661 HA CYS A 575 174.146 164.575 208.312 1.00 61.94 H +ATOM 8662 HB2 CYS A 575 176.141 164.207 209.549 1.00 57.74 H +ATOM 8663 HB3 CYS A 575 176.695 163.363 208.327 1.00 57.74 H +ATOM 8664 N PRO A 576 173.437 163.262 206.120 1.00 41.12 N +ATOM 8665 CA PRO A 576 173.323 162.870 204.713 1.00 41.38 C +ATOM 8666 C PRO A 576 173.659 164.012 203.764 1.00 44.43 C +ATOM 8667 O PRO A 576 173.459 165.176 204.108 1.00 52.78 O +ATOM 8668 CB PRO A 576 171.854 162.466 204.585 1.00 38.23 C +ATOM 8669 CG PRO A 576 171.156 163.289 205.599 1.00 35.98 C +ATOM 8670 CD PRO A 576 172.118 163.448 206.748 1.00 41.67 C +ATOM 8671 HA PRO A 576 173.890 162.107 204.522 1.00 49.66 H +ATOM 8672 HB2 PRO A 576 171.533 162.671 203.693 1.00 45.87 H +ATOM 8673 HB3 PRO A 576 171.754 161.521 204.780 1.00 45.87 H +ATOM 8674 HG2 PRO A 576 170.936 164.154 205.218 1.00 43.18 H +ATOM 8675 HG3 PRO A 576 170.352 162.832 205.890 1.00 43.18 H +ATOM 8676 HD2 PRO A 576 172.047 164.338 207.127 1.00 50.00 H +ATOM 8677 HD3 PRO A 576 171.962 162.763 207.417 1.00 50.00 H +ATOM 8678 N PHE A 577 174.174 163.679 202.587 1.00 46.41 N +ATOM 8679 CA PHE A 577 174.408 164.678 201.557 1.00 40.92 C +ATOM 8680 C PHE A 577 173.081 165.289 201.141 1.00 39.47 C +ATOM 8681 O PHE A 577 172.094 164.577 200.968 1.00 38.31 O +ATOM 8682 CB PHE A 577 175.108 164.062 200.344 1.00 39.70 C +ATOM 8683 CG PHE A 577 175.086 164.939 199.121 1.00 36.62 C +ATOM 8684 CD1 PHE A 577 174.041 164.863 198.212 1.00 34.49 C +ATOM 8685 CD2 PHE A 577 176.109 165.840 198.880 1.00 34.89 C +ATOM 8686 CE1 PHE A 577 174.016 165.669 197.093 1.00 39.41 C +ATOM 8687 CE2 PHE A 577 176.091 166.648 197.760 1.00 38.77 C +ATOM 8688 CZ PHE A 577 175.043 166.562 196.865 1.00 36.74 C +ATOM 8689 H PHE A 577 174.397 162.880 202.360 1.00 55.70 H +ATOM 8690 HA PHE A 577 174.973 165.382 201.913 1.00 49.11 H +ATOM 8691 HB2 PHE A 577 176.036 163.892 200.570 1.00 47.63 H +ATOM 8692 HB3 PHE A 577 174.667 163.228 200.118 1.00 47.63 H +ATOM 8693 HD1 PHE A 577 173.345 164.263 198.362 1.00 41.38 H +ATOM 8694 HD2 PHE A 577 176.817 165.902 199.481 1.00 41.87 H +ATOM 8695 HE1 PHE A 577 173.310 165.608 196.491 1.00 47.29 H +ATOM 8696 HE2 PHE A 577 176.783 167.250 197.608 1.00 46.52 H +ATOM 8697 HZ PHE A 577 175.029 167.105 196.110 1.00 44.08 H +ATOM 8698 N THR A 578 173.053 166.609 200.991 1.00 41.41 N +ATOM 8699 CA THR A 578 171.887 167.269 200.426 1.00 37.37 C +ATOM 8700 C THR A 578 172.289 168.464 199.579 1.00 40.31 C +ATOM 8701 O THR A 578 173.392 168.996 199.701 1.00 40.30 O +ATOM 8702 CB THR A 578 170.894 167.727 201.519 1.00 38.60 C +ATOM 8703 OG1 THR A 578 169.596 167.898 200.938 1.00 40.66 O +ATOM 8704 CG2 THR A 578 171.339 169.035 202.185 1.00 39.84 C +ATOM 8705 H THR A 578 173.694 167.141 201.207 1.00 49.69 H +ATOM 8706 HA THR A 578 171.423 166.641 199.850 1.00 44.84 H +ATOM 8707 HB THR A 578 170.845 167.043 202.205 1.00 46.32 H +ATOM 8708 HG1 THR A 578 169.331 167.172 200.609 1.00 48.79 H +ATOM 8709 HG21 THR A 578 170.698 169.295 202.864 1.00 47.81 H +ATOM 8710 HG22 THR A 578 172.208 168.916 202.600 1.00 47.81 H +ATOM 8711 HG23 THR A 578 171.400 169.740 201.522 1.00 47.81 H +ATOM 8712 N SER A 579 171.365 168.871 198.721 1.00 33.58 N +ATOM 8713 CA SER A 579 171.576 169.957 197.786 1.00 33.41 C +ATOM 8714 C SER A 579 170.216 170.341 197.224 1.00 34.50 C +ATOM 8715 O SER A 579 169.234 169.634 197.450 1.00 36.64 O +ATOM 8716 CB SER A 579 172.543 169.538 196.676 1.00 35.01 C +ATOM 8717 OG SER A 579 172.271 170.221 195.466 1.00 42.77 O +ATOM 8718 H SER A 579 170.582 168.519 198.663 1.00 40.30 H +ATOM 8719 HA SER A 579 171.949 170.723 198.251 1.00 40.10 H +ATOM 8720 HB2 SER A 579 173.449 169.743 196.956 1.00 42.01 H +ATOM 8721 HB3 SER A 579 172.452 168.584 196.525 1.00 42.01 H +ATOM 8722 HG SER A 579 172.812 169.977 194.871 1.00 51.33 H +ATOM 8723 N PHE A 580 170.147 171.456 196.506 1.00 35.23 N +ATOM 8724 CA PHE A 580 168.887 171.894 195.916 1.00 35.01 C +ATOM 8725 C PHE A 580 168.735 171.383 194.491 1.00 33.37 C +ATOM 8726 O PHE A 580 167.727 171.650 193.841 1.00 34.99 O +ATOM 8727 CB PHE A 580 168.780 173.421 195.945 1.00 37.64 C +ATOM 8728 CG PHE A 580 168.474 173.985 197.305 1.00 36.32 C +ATOM 8729 CD1 PHE A 580 167.481 173.430 198.095 1.00 37.22 C +ATOM 8730 CD2 PHE A 580 169.181 175.067 197.793 1.00 33.80 C +ATOM 8731 CE1 PHE A 580 167.200 173.948 199.342 1.00 44.81 C +ATOM 8732 CE2 PHE A 580 168.903 175.587 199.040 1.00 46.75 C +ATOM 8733 CZ PHE A 580 167.913 175.027 199.816 1.00 40.43 C +ATOM 8734 H PHE A 580 170.813 171.975 196.346 1.00 42.27 H +ATOM 8735 HA PHE A 580 168.154 171.535 196.441 1.00 42.01 H +ATOM 8736 HB2 PHE A 580 169.623 173.798 195.651 1.00 45.17 H +ATOM 8737 HB3 PHE A 580 168.069 173.695 195.345 1.00 45.17 H +ATOM 8738 HD1 PHE A 580 166.997 172.702 197.780 1.00 44.66 H +ATOM 8739 HD2 PHE A 580 169.851 175.450 197.274 1.00 40.56 H +ATOM 8740 HE1 PHE A 580 166.531 173.567 199.863 1.00 53.78 H +ATOM 8741 HE2 PHE A 580 169.386 176.316 199.357 1.00 56.11 H +ATOM 8742 HZ PHE A 580 167.725 175.377 200.656 1.00 48.52 H +ATOM 8743 N SER A 581 169.735 170.650 194.012 1.00 41.39 N +ATOM 8744 CA SER A 581 169.645 169.989 192.715 1.00 39.44 C +ATOM 8745 C SER A 581 169.843 168.489 192.878 1.00 38.16 C +ATOM 8746 O SER A 581 170.466 168.042 193.842 1.00 36.20 O +ATOM 8747 CB SER A 581 170.681 170.555 191.742 1.00 37.58 C +ATOM 8748 OG SER A 581 171.996 170.228 192.147 1.00 48.30 O +ATOM 8749 H SER A 581 170.480 170.520 194.421 1.00 49.67 H +ATOM 8750 HA SER A 581 168.763 170.139 192.340 1.00 47.33 H +ATOM 8751 HB2 SER A 581 170.522 170.182 190.860 1.00 45.10 H +ATOM 8752 HB3 SER A 581 170.591 171.520 191.713 1.00 45.10 H +ATOM 8753 HG SER A 581 172.552 170.546 191.603 1.00 57.96 H +ATOM 8754 N VAL A 582 169.311 167.712 191.942 1.00 41.52 N +ATOM 8755 CA VAL A 582 169.488 166.266 191.985 1.00 48.45 C +ATOM 8756 C VAL A 582 170.925 165.910 191.594 1.00 44.31 C +ATOM 8757 O VAL A 582 171.515 166.578 190.745 1.00 43.01 O +ATOM 8758 CB VAL A 582 168.499 165.535 191.054 1.00 46.39 C +ATOM 8759 CG1 VAL A 582 167.065 165.848 191.452 1.00 47.85 C +ATOM 8760 CG2 VAL A 582 168.740 165.906 189.593 1.00 55.37 C +ATOM 8761 H VAL A 582 168.846 167.995 191.276 1.00 49.82 H +ATOM 8762 HA VAL A 582 169.335 165.954 192.891 1.00 58.14 H +ATOM 8763 HB VAL A 582 168.631 164.579 191.144 1.00 55.67 H +ATOM 8764 HG11 VAL A 582 166.462 165.379 190.854 1.00 57.42 H +ATOM 8765 HG12 VAL A 582 166.921 165.554 192.365 1.00 57.42 H +ATOM 8766 HG13 VAL A 582 166.921 166.804 191.385 1.00 57.42 H +ATOM 8767 HG21 VAL A 582 168.102 165.430 189.038 1.00 66.44 H +ATOM 8768 HG22 VAL A 582 168.622 166.863 189.487 1.00 66.44 H +ATOM 8769 HG23 VAL A 582 169.644 165.655 189.349 1.00 66.44 H +ATOM 8770 N PRO A 583 171.497 164.860 192.214 1.00 51.67 N +ATOM 8771 CA PRO A 583 172.859 164.401 191.906 1.00 55.99 C +ATOM 8772 C PRO A 583 173.141 164.249 190.412 1.00 52.57 C +ATOM 8773 O PRO A 583 172.248 163.840 189.673 1.00 54.20 O +ATOM 8774 CB PRO A 583 172.925 163.042 192.600 1.00 60.18 C +ATOM 8775 CG PRO A 583 172.014 163.184 193.761 1.00 58.17 C +ATOM 8776 CD PRO A 583 170.898 164.080 193.313 1.00 55.24 C +ATOM 8777 HA PRO A 583 173.515 164.997 192.300 1.00 67.19 H +ATOM 8778 HB2 PRO A 583 172.612 162.348 191.998 1.00 72.21 H +ATOM 8779 HB3 PRO A 583 173.832 162.864 192.892 1.00 72.21 H +ATOM 8780 HG2 PRO A 583 171.670 162.312 194.011 1.00 69.81 H +ATOM 8781 HG3 PRO A 583 172.495 163.585 194.502 1.00 69.81 H +ATOM 8782 HD2 PRO A 583 170.153 163.553 192.985 1.00 66.28 H +ATOM 8783 HD3 PRO A 583 170.627 164.669 194.035 1.00 66.28 H +HETATM 8784 C4 TLF A 601 167.772 185.382 190.098 1.00 46.05 C +HETATM 8785 C5 TLF A 601 166.676 185.191 190.920 1.00 43.12 C +HETATM 8786 C6 TLF A 601 166.577 185.866 192.129 1.00 40.31 C +HETATM 8787 C8 TLF A 601 164.140 185.384 192.612 1.00 41.39 C +HETATM 8788 C9 TLF A 601 163.677 185.597 191.322 1.00 40.87 C +HETATM 8789 C10 TLF A 601 162.373 185.278 190.985 1.00 41.15 C +HETATM 8790 C11 TLF A 601 161.514 184.761 191.940 1.00 37.89 C +HETATM 8791 C12 TLF A 601 161.965 184.556 193.230 1.00 40.98 C +HETATM 8792 C13 TLF A 601 163.273 184.866 193.565 1.00 37.62 C +HETATM 8793 C14 TLF A 601 163.745 184.638 194.984 1.00 31.08 C +HETATM 8794 O16 TLF A 601 162.944 184.211 195.854 1.00 27.53 O +HETATM 8795 O15 TLF A 601 164.938 184.882 195.297 1.00 32.65 O +HETATM 8796 N7 TLF A 601 165.471 185.700 193.013 1.00 43.39 N +HETATM 8797 C1 TLF A 601 167.596 186.725 192.519 1.00 48.22 C +HETATM 8798 C17 TLF A 601 167.472 187.441 193.850 1.00 38.40 C +HETATM 8799 C2 TLF A 601 168.702 186.913 191.694 1.00 39.32 C +HETATM 8800 CL TLF A 601 169.998 187.984 192.149 1.00 42.38 CL +HETATM 8801 C3 TLF A 601 168.785 186.242 190.486 1.00 38.36 C +HETATM 8802 H1 TLF A 601 167.832 184.909 189.246 1.00 55.26 H +HETATM 8803 H2 TLF A 601 165.961 184.588 190.642 1.00 51.75 H +HETATM 8804 H3 TLF A 601 164.278 185.960 190.644 1.00 49.04 H +HETATM 8805 H4 TLF A 601 162.056 185.425 190.074 1.00 49.38 H +HETATM 8806 H5 TLF A 601 160.594 184.539 191.701 1.00 45.47 H +HETATM 8807 H6 TLF A 601 161.363 184.188 193.905 1.00 49.17 H +HETATM 8808 H8 TLF A 601 165.605 185.906 193.891 1.00 52.07 H +HETATM 8809 H9 TLF A 601 166.601 187.887 193.904 1.00 46.08 H +HETATM 8810 H10 TLF A 601 167.566 186.796 194.581 1.00 46.08 H +HETATM 8811 H11 TLF A 601 168.182 188.113 193.921 1.00 46.08 H +HETATM 8812 H12 TLF A 601 169.560 186.374 189.908 1.00 46.03 H +HETATM 8813 CO COH A 602 150.906 176.108 197.486 1.00 51.34 CO +HETATM 8814 CHA COH A 602 148.691 178.683 198.186 1.00 61.44 C +HETATM 8815 CHB COH A 602 148.385 173.838 198.129 1.00 56.78 C +HETATM 8816 CHC COH A 602 153.160 173.511 197.427 1.00 52.36 C +HETATM 8817 CHD COH A 602 153.436 178.345 196.995 1.00 51.50 C +HETATM 8818 NA COH A 602 148.901 176.240 198.023 1.00 62.46 N +HETATM 8819 C1A COH A 602 148.210 177.401 198.314 1.00 55.04 C +HETATM 8820 C2A COH A 602 146.889 177.033 198.779 1.00 56.77 C +HETATM 8821 C3A COH A 602 146.802 175.701 198.763 1.00 61.93 C +HETATM 8822 C4A COH A 602 148.065 175.171 198.289 1.00 60.71 C +HETATM 8823 CMA COH A 602 145.563 174.876 199.181 1.00 59.14 C +HETATM 8824 CAA COH A 602 145.768 178.001 199.218 1.00 59.40 C +HETATM 8825 CBA COH A 602 145.030 178.524 197.991 1.00 69.91 C +HETATM 8826 CGA COH A 602 143.791 179.281 198.403 1.00 84.19 C +HETATM 8827 O1A COH A 602 143.456 179.290 199.616 1.00101.62 O +HETATM 8828 O2A COH A 602 143.133 179.876 197.511 1.00 78.38 O +HETATM 8829 NB COH A 602 150.786 174.048 197.709 1.00 63.20 N +HETATM 8830 C1B COH A 602 149.660 173.318 198.022 1.00 52.84 C +HETATM 8831 C2B COH A 602 150.037 171.931 198.213 1.00 51.34 C +HETATM 8832 C3B COH A 602 151.370 171.840 198.023 1.00 52.30 C +HETATM 8833 C4B COH A 602 151.851 173.173 197.701 1.00 57.42 C +HETATM 8834 CMB COH A 602 148.998 170.845 198.580 1.00 66.52 C +HETATM 8835 CAB COH A 602 152.342 170.628 198.085 1.00 54.87 C +HETATM 8836 CBB COH A 602 151.986 169.346 198.232 1.00 52.55 C +HETATM 8837 NC COH A 602 152.952 175.966 197.307 1.00 58.73 N +HETATM 8838 C1C COH A 602 153.649 174.780 197.190 1.00 58.51 C +HETATM 8839 C2C COH A 602 154.994 175.096 196.773 1.00 52.64 C +HETATM 8840 C3C COH A 602 155.101 176.426 196.650 1.00 53.76 C +HETATM 8841 C4C COH A 602 153.801 177.009 196.984 1.00 54.45 C +HETATM 8842 CMC COH A 602 156.103 174.045 196.527 1.00 46.17 C +HETATM 8843 CAC COH A 602 156.421 177.116 196.212 1.00 47.53 C +HETATM 8844 CBC COH A 602 156.594 178.440 196.166 1.00 52.64 C +HETATM 8845 ND COH A 602 151.023 178.194 197.545 1.00 57.42 N +HETATM 8846 C1D COH A 602 152.219 178.883 197.383 1.00 51.01 C +HETATM 8847 C2D COH A 602 151.996 180.282 197.687 1.00 51.13 C +HETATM 8848 C3D COH A 602 150.506 180.395 198.059 1.00 57.24 C +HETATM 8849 C4D COH A 602 149.995 179.047 197.942 1.00 56.80 C +HETATM 8850 CMD COH A 602 153.050 181.414 197.635 1.00 47.91 C +HETATM 8851 CAD COH A 602 149.697 181.651 198.479 1.00 61.23 C +HETATM 8852 CBD COH A 602 150.242 182.222 199.787 1.00 50.18 C +HETATM 8853 CGD COH A 602 149.143 182.781 200.664 1.00 44.96 C +HETATM 8854 O1D COH A 602 148.538 183.842 200.335 1.00 70.09 O +HETATM 8855 O2D COH A 602 148.882 182.165 201.728 1.00 48.69 O +HETATM 8856 HHA COH A 602 148.040 179.410 198.278 1.00 73.72 H +HETATM 8857 HHB COH A 602 147.639 173.209 198.035 1.00 68.14 H +HETATM 8858 HHC COH A 602 153.808 172.776 197.397 1.00 62.84 H +HETATM 8859 HHD COH A 602 154.115 178.983 196.693 1.00 61.80 H +HETATM 8860 HMA1 COH A 602 145.756 173.921 199.077 1.00 70.97 H +HETATM 8861 HMA2 COH A 602 144.802 175.119 198.612 1.00 70.97 H +HETATM 8862 HMA3 COH A 602 145.344 175.066 200.117 1.00 70.97 H +HETATM 8863 HAA1 COH A 602 146.157 178.746 199.703 1.00 71.28 H +HETATM 8864 HAA2 COH A 602 145.144 177.532 199.794 1.00 71.28 H +HETATM 8865 HBA1 COH A 602 144.776 177.777 197.427 1.00 83.89 H +HETATM 8866 HBA2 COH A 602 145.616 179.116 197.493 1.00 83.89 H +HETATM 8867 HMB1 COH A 602 149.443 169.988 198.664 1.00 79.82 H +HETATM 8868 HMB2 COH A 602 148.325 170.794 197.884 1.00 79.82 H +HETATM 8869 HMB3 COH A 602 148.575 171.074 199.423 1.00 79.82 H +HETATM 8870 HAB COH A 602 153.280 170.816 198.011 1.00 65.84 H +HETATM 8871 HBB1 COH A 602 151.048 169.108 198.307 1.00 63.06 H +HETATM 8872 HBB2 COH A 602 152.665 168.654 198.260 1.00 63.06 H +HETATM 8873 HMC1 COH A 602 156.919 174.493 196.254 1.00 55.41 H +HETATM 8874 HMC2 COH A 602 155.821 173.435 195.827 1.00 55.41 H +HETATM 8875 HMC3 COH A 602 156.264 173.548 197.344 1.00 55.41 H +HETATM 8876 HAC COH A 602 157.158 176.556 195.958 1.00 57.04 H +HETATM 8877 HBC1 COH A 602 155.870 179.033 196.420 1.00 63.16 H +HETATM 8878 HBC2 COH A 602 157.446 178.808 195.883 1.00 63.16 H +HETATM 8879 HMD1 COH A 602 152.630 182.263 197.888 1.00 57.49 H +HETATM 8880 HMD2 COH A 602 153.407 181.486 196.725 1.00 57.49 H +HETATM 8881 HMD3 COH A 602 153.779 181.211 198.257 1.00 57.49 H +HETATM 8882 HAD1 COH A 602 148.766 181.406 198.599 1.00 73.47 H +HETATM 8883 HAD2 COH A 602 149.765 182.323 197.783 1.00 73.47 H +HETATM 8884 HBD1 COH A 602 150.873 182.929 199.583 1.00 60.22 H +HETATM 8885 HBD2 COH A 602 150.702 181.518 200.270 1.00 60.22 H +HETATM 8886 P PO4 A 608 147.229 180.623 219.318 1.00111.85 P +HETATM 8887 O1 PO4 A 608 148.124 180.625 218.104 1.00111.12 O +HETATM 8888 O2 PO4 A 608 145.945 181.350 218.997 1.00201.58 O +HETATM 8889 O3 PO4 A 608 147.930 181.314 220.463 1.00 73.70 O +HETATM 8890 O4 PO4 A 608 146.929 179.196 219.707 1.00 79.29 O +HETATM 8891 P PO4 A 609 154.761 205.371 191.041 1.00134.37 P +HETATM 8892 O1 PO4 A 609 155.599 205.111 189.812 1.00 91.07 O +HETATM 8893 O2 PO4 A 609 154.811 204.170 191.954 1.00115.60 O +HETATM 8894 O3 PO4 A 609 153.328 205.612 190.634 1.00 77.22 O +HETATM 8895 O4 PO4 A 609 155.296 206.581 191.769 1.00 93.69 O +HETATM 8896 P PO4 A 610 164.880 173.936 176.716 1.00285.65 P +HETATM 8897 O1 PO4 A 610 165.570 173.845 175.375 1.00168.08 O +HETATM 8898 O2 PO4 A 610 165.020 175.338 177.260 1.00163.70 O +HETATM 8899 O3 PO4 A 610 163.419 173.598 176.550 1.00184.22 O +HETATM 8900 O4 PO4 A 610 165.504 172.958 177.681 1.00146.79 O +TER 8901 PO4 A 610 +ATOM 8901 N ASN B 34 176.784 191.459 237.580 1.00 50.01 N +ATOM 8902 CA ASN B 34 176.805 191.763 236.154 1.00 56.70 C +ATOM 8903 C ASN B 34 177.890 192.796 235.842 1.00 49.58 C +ATOM 8904 O ASN B 34 177.773 193.953 236.237 1.00 48.91 O +ATOM 8905 CB ASN B 34 175.436 192.273 235.705 1.00 61.64 C +ATOM 8906 CG ASN B 34 175.307 192.366 234.190 1.00 55.61 C +ATOM 8907 OD1 ASN B 34 176.295 192.504 233.470 1.00 52.29 O +ATOM 8908 ND2 ASN B 34 174.075 192.293 233.703 1.00 57.49 N +ATOM 8909 HA ASN B 34 177.005 190.954 235.658 1.00 68.03 H +ATOM 8910 HB2 ASN B 34 174.752 191.665 236.027 1.00 73.96 H +ATOM 8911 HB3 ASN B 34 175.293 193.158 236.073 1.00 73.96 H +ATOM 8912 HD21 ASN B 34 173.945 192.341 232.854 1.00 68.99 H +ATOM 8913 HD22 ASN B 34 173.407 192.198 234.236 1.00 68.99 H +ATOM 8914 N PRO B 35 178.948 192.389 235.118 1.00 51.07 N +ATOM 8915 CA PRO B 35 180.104 193.278 234.948 1.00 50.92 C +ATOM 8916 C PRO B 35 179.822 194.485 234.056 1.00 52.30 C +ATOM 8917 O PRO B 35 180.607 195.432 234.046 1.00 50.35 O +ATOM 8918 CB PRO B 35 181.151 192.362 234.309 1.00 47.32 C +ATOM 8919 CG PRO B 35 180.362 191.342 233.583 1.00 55.94 C +ATOM 8920 CD PRO B 35 179.099 191.135 234.358 1.00 50.79 C +ATOM 8921 HA PRO B 35 180.427 193.582 235.810 1.00 61.10 H +ATOM 8922 HB2 PRO B 35 181.703 192.872 233.696 1.00 56.79 H +ATOM 8923 HB3 PRO B 35 181.693 191.951 235.001 1.00 56.79 H +ATOM 8924 HG2 PRO B 35 180.161 191.666 232.691 1.00 67.12 H +ATOM 8925 HG3 PRO B 35 180.869 190.516 233.537 1.00 67.12 H +ATOM 8926 HD2 PRO B 35 178.349 191.013 233.756 1.00 60.95 H +ATOM 8927 HD3 PRO B 35 179.194 190.383 234.964 1.00 60.95 H +ATOM 8928 N CYS B 36 178.717 194.450 233.321 1.00 53.58 N +ATOM 8929 CA CYS B 36 178.345 195.561 232.454 1.00 54.32 C +ATOM 8930 C CYS B 36 177.615 196.664 233.219 1.00 46.68 C +ATOM 8931 O CYS B 36 177.309 197.715 232.658 1.00 36.57 O +ATOM 8932 CB CYS B 36 177.478 195.062 231.300 1.00 44.97 C +ATOM 8933 SG CYS B 36 178.408 194.194 230.015 1.00 41.54 S +ATOM 8934 H CYS B 36 178.163 193.792 233.307 1.00 64.29 H +ATOM 8935 HA CYS B 36 179.151 195.946 232.076 1.00 65.18 H +ATOM 8936 HB2 CYS B 36 176.813 194.449 231.651 1.00 53.96 H +ATOM 8937 HB3 CYS B 36 177.040 195.822 230.887 1.00 53.96 H +ATOM 8938 N CYS B 37 177.350 196.427 234.501 1.00 52.62 N +ATOM 8939 CA CYS B 37 176.639 197.394 235.336 1.00 46.62 C +ATOM 8940 C CYS B 37 177.354 198.741 235.416 1.00 40.53 C +ATOM 8941 O CYS B 37 176.718 199.770 235.637 1.00 41.84 O +ATOM 8942 CB CYS B 37 176.445 196.839 236.750 1.00 37.99 C +ATOM 8943 SG CYS B 37 174.953 195.840 236.963 1.00 52.64 S +ATOM 8944 H CYS B 37 177.574 195.707 234.915 1.00 63.14 H +ATOM 8945 HA CYS B 37 175.761 197.548 234.955 1.00 55.95 H +ATOM 8946 HB2 CYS B 37 177.207 196.281 236.971 1.00 45.59 H +ATOM 8947 HB3 CYS B 37 176.393 197.582 237.371 1.00 45.59 H +ATOM 8948 N SER B 38 178.671 198.733 235.238 1.00 34.17 N +ATOM 8949 CA SER B 38 179.462 199.956 235.343 1.00 36.46 C +ATOM 8950 C SER B 38 179.513 200.722 234.021 1.00 41.22 C +ATOM 8951 O SER B 38 180.063 201.820 233.956 1.00 35.23 O +ATOM 8952 CB SER B 38 180.884 199.630 235.804 1.00 37.58 C +ATOM 8953 OG SER B 38 181.587 198.897 234.818 1.00 43.50 O +ATOM 8954 H SER B 38 179.133 198.031 235.054 1.00 41.00 H +ATOM 8955 HA SER B 38 179.058 200.535 236.008 1.00 43.75 H +ATOM 8956 HB2 SER B 38 181.356 200.459 235.977 1.00 45.10 H +ATOM 8957 HB3 SER B 38 180.838 199.101 236.616 1.00 45.10 H +ATOM 8958 HG SER B 38 182.364 198.727 235.086 1.00 52.20 H +ATOM 8959 N HIS B 39 178.931 200.142 232.976 1.00 39.07 N +ATOM 8960 CA HIS B 39 178.944 200.746 231.647 1.00 40.32 C +ATOM 8961 C HIS B 39 180.377 200.997 231.180 1.00 40.59 C +ATOM 8962 O HIS B 39 180.744 202.131 230.882 1.00 38.10 O +ATOM 8963 CB HIS B 39 178.144 202.050 231.648 1.00 39.96 C +ATOM 8964 CG HIS B 39 176.823 201.943 232.344 1.00 34.52 C +ATOM 8965 ND1 HIS B 39 175.809 201.126 231.894 1.00 39.96 N +ATOM 8966 CD2 HIS B 39 176.355 202.543 233.463 1.00 31.23 C +ATOM 8967 CE1 HIS B 39 174.771 201.228 232.705 1.00 31.71 C +ATOM 8968 NE2 HIS B 39 175.077 202.083 233.665 1.00 36.59 N +ATOM 8969 H HIS B 39 178.518 199.389 233.011 1.00 46.88 H +ATOM 8970 HA HIS B 39 178.525 200.136 231.019 1.00 48.39 H +ATOM 8971 HB2 HIS B 39 178.662 202.735 232.098 1.00 47.96 H +ATOM 8972 HB3 HIS B 39 177.975 202.314 230.730 1.00 47.96 H +ATOM 8973 HD2 HIS B 39 176.812 203.153 233.995 1.00 37.48 H +ATOM 8974 HE1 HIS B 39 173.963 200.778 232.614 1.00 38.05 H +ATOM 8975 HE2 HIS B 39 174.559 202.314 234.311 1.00 43.91 H +ATOM 8976 N PRO B 40 181.188 199.930 231.101 1.00 41.38 N +ATOM 8977 CA PRO B 40 182.614 200.079 230.794 1.00 43.26 C +ATOM 8978 C PRO B 40 182.877 200.596 229.381 1.00 46.75 C +ATOM 8979 O PRO B 40 183.813 201.365 229.166 1.00 44.90 O +ATOM 8980 CB PRO B 40 183.163 198.651 230.946 1.00 46.95 C +ATOM 8981 CG PRO B 40 182.045 197.827 231.502 1.00 44.63 C +ATOM 8982 CD PRO B 40 180.787 198.515 231.146 1.00 37.71 C +ATOM 8983 HA PRO B 40 183.043 200.662 231.439 1.00 51.91 H +ATOM 8984 HB2 PRO B 40 183.434 198.315 230.077 1.00 56.34 H +ATOM 8985 HB3 PRO B 40 183.916 198.658 231.557 1.00 56.34 H +ATOM 8986 HG2 PRO B 40 182.070 196.942 231.105 1.00 53.56 H +ATOM 8987 HG3 PRO B 40 182.138 197.768 232.465 1.00 53.56 H +ATOM 8988 HD2 PRO B 40 180.475 198.223 230.275 1.00 45.25 H +ATOM 8989 HD3 PRO B 40 180.117 198.373 231.833 1.00 45.25 H +ATOM 8990 N CYS B 41 182.051 200.172 228.433 1.00 40.13 N +ATOM 8991 CA CYS B 41 182.288 200.459 227.025 1.00 40.12 C +ATOM 8992 C CYS B 41 181.984 201.911 226.671 1.00 35.89 C +ATOM 8993 O CYS B 41 180.876 202.393 226.892 1.00 35.12 O +ATOM 8994 CB CYS B 41 181.449 199.524 226.154 1.00 36.73 C +ATOM 8995 SG CYS B 41 181.697 197.772 226.520 1.00 45.74 S +ATOM 8996 H CYS B 41 181.339 199.712 228.580 1.00 48.15 H +ATOM 8997 HA CYS B 41 183.223 200.294 226.824 1.00 48.14 H +ATOM 8998 HB2 CYS B 41 180.511 199.726 226.293 1.00 44.07 H +ATOM 8999 HB3 CYS B 41 181.683 199.669 225.224 1.00 44.07 H +ATOM 9000 N GLN B 42 182.982 202.592 226.115 1.00 36.56 N +ATOM 9001 CA GLN B 42 182.853 203.987 225.709 1.00 36.36 C +ATOM 9002 C GLN B 42 182.503 204.110 224.231 1.00 35.99 C +ATOM 9003 O GLN B 42 182.606 203.145 223.476 1.00 38.84 O +ATOM 9004 CB GLN B 42 184.155 204.748 225.985 1.00 38.18 C +ATOM 9005 CG GLN B 42 184.644 204.657 227.415 1.00 43.79 C +ATOM 9006 CD GLN B 42 183.608 205.126 228.415 1.00 56.25 C +ATOM 9007 OE1 GLN B 42 183.145 206.265 228.360 1.00 58.32 O +ATOM 9008 NE2 GLN B 42 183.234 204.244 229.334 1.00 57.31 N +ATOM 9009 H GLN B 42 183.760 202.260 225.959 1.00 43.88 H +ATOM 9010 HA GLN B 42 182.144 204.404 226.223 1.00 43.63 H +ATOM 9011 HB2 GLN B 42 184.851 204.390 225.412 1.00 45.81 H +ATOM 9012 HB3 GLN B 42 184.015 205.686 225.781 1.00 45.81 H +ATOM 9013 HG2 GLN B 42 184.861 203.734 227.617 1.00 52.54 H +ATOM 9014 HG3 GLN B 42 185.432 205.214 227.516 1.00 52.54 H +ATOM 9015 HE21 GLN B 42 183.578 203.456 229.338 1.00 68.77 H +ATOM 9016 HE22 GLN B 42 182.648 204.461 229.924 1.00 68.77 H +ATOM 9017 N ASN B 43 182.086 205.308 223.835 1.00 41.02 N +ATOM 9018 CA ASN B 43 181.924 205.660 222.427 1.00 41.37 C +ATOM 9019 C ASN B 43 181.044 204.694 221.643 1.00 35.54 C +ATOM 9020 O ASN B 43 181.380 204.317 220.525 1.00 31.14 O +ATOM 9021 CB ASN B 43 183.299 205.746 221.764 1.00 39.82 C +ATOM 9022 CG ASN B 43 184.237 206.682 222.495 1.00 40.77 C +ATOM 9023 OD1 ASN B 43 183.868 207.801 222.847 1.00 43.90 O +ATOM 9024 ND2 ASN B 43 185.456 206.221 222.742 1.00 45.63 N +ATOM 9025 H ASN B 43 181.886 205.948 224.374 1.00 49.23 H +ATOM 9026 HA ASN B 43 181.515 206.538 222.373 1.00 49.65 H +ATOM 9027 HB2 ASN B 43 183.701 204.864 221.753 1.00 47.79 H +ATOM 9028 HB3 ASN B 43 183.193 206.075 220.857 1.00 47.79 H +ATOM 9029 HD21 ASN B 43 186.026 206.715 223.155 1.00 54.76 H +ATOM 9030 HD22 ASN B 43 185.676 205.430 222.489 1.00 54.76 H +ATOM 9031 N ARG B 44 179.926 204.297 222.248 1.00 38.06 N +ATOM 9032 CA ARG B 44 178.908 203.451 221.613 1.00 45.19 C +ATOM 9033 C ARG B 44 179.297 201.979 221.554 1.00 39.43 C +ATOM 9034 O ARG B 44 178.596 201.181 220.937 1.00 46.66 O +ATOM 9035 CB ARG B 44 178.585 203.938 220.192 1.00 40.90 C +ATOM 9036 CG ARG B 44 178.219 205.410 220.095 1.00 35.88 C +ATOM 9037 CD ARG B 44 176.986 205.731 220.910 1.00 35.81 C +ATOM 9038 NE ARG B 44 175.895 204.803 220.631 1.00 47.83 N +ATOM 9039 CZ ARG B 44 175.105 204.870 219.565 1.00 46.73 C +ATOM 9040 NH1 ARG B 44 175.277 205.822 218.657 1.00 35.58 N +ATOM 9041 NH2 ARG B 44 174.140 203.975 219.403 1.00 43.90 N +ATOM 9042 H ARG B 44 179.726 204.512 223.057 1.00 45.67 H +ATOM 9043 HA ARG B 44 178.092 203.514 222.133 1.00 54.23 H +ATOM 9044 HB2 ARG B 44 179.362 203.791 219.630 1.00 49.09 H +ATOM 9045 HB3 ARG B 44 177.835 203.426 219.852 1.00 49.09 H +ATOM 9046 HG2 ARG B 44 178.954 205.946 220.433 1.00 43.06 H +ATOM 9047 HG3 ARG B 44 178.038 205.635 219.169 1.00 43.06 H +ATOM 9048 HD2 ARG B 44 177.202 205.669 221.854 1.00 42.97 H +ATOM 9049 HD3 ARG B 44 176.684 206.627 220.694 1.00 42.97 H +ATOM 9050 HE ARG B 44 175.754 204.169 221.195 1.00 57.39 H +ATOM 9051 HH11 ARG B 44 175.902 206.404 218.758 1.00 42.70 H +ATOM 9052 HH12 ARG B 44 174.762 205.859 217.970 1.00 42.70 H +ATOM 9053 HH21 ARG B 44 174.026 203.355 219.989 1.00 52.68 H +ATOM 9054 HH22 ARG B 44 173.627 204.015 218.714 1.00 52.68 H +ATOM 9055 N GLY B 45 180.403 201.614 222.193 1.00 46.04 N +ATOM 9056 CA GLY B 45 180.791 200.218 222.257 1.00 40.94 C +ATOM 9057 C GLY B 45 179.717 199.410 222.958 1.00 40.57 C +ATOM 9058 O GLY B 45 179.135 199.873 223.938 1.00 45.54 O +ATOM 9059 H GLY B 45 180.940 202.154 222.594 1.00 55.24 H +ATOM 9060 HA2 GLY B 45 180.915 199.868 221.361 1.00 49.13 H +ATOM 9061 HA3 GLY B 45 181.623 200.129 222.748 1.00 49.13 H +ATOM 9062 N VAL B 46 179.444 198.209 222.458 1.00 39.39 N +ATOM 9063 CA VAL B 46 178.394 197.366 223.025 1.00 42.86 C +ATOM 9064 C VAL B 46 178.985 196.415 224.055 1.00 37.57 C +ATOM 9065 O VAL B 46 179.891 195.644 223.749 1.00 36.04 O +ATOM 9066 CB VAL B 46 177.662 196.553 221.941 1.00 37.25 C +ATOM 9067 CG1 VAL B 46 176.516 195.761 222.554 1.00 35.34 C +ATOM 9068 CG2 VAL B 46 177.142 197.472 220.846 1.00 30.58 C +ATOM 9069 H VAL B 46 179.853 197.858 221.788 1.00 47.26 H +ATOM 9070 HA VAL B 46 177.742 197.928 223.472 1.00 51.44 H +ATOM 9071 HB VAL B 46 178.283 195.925 221.540 1.00 44.70 H +ATOM 9072 HG11 VAL B 46 176.071 195.258 221.855 1.00 42.41 H +ATOM 9073 HG12 VAL B 46 176.874 195.155 223.222 1.00 42.41 H +ATOM 9074 HG13 VAL B 46 175.892 196.378 222.968 1.00 42.41 H +ATOM 9075 HG21 VAL B 46 176.686 196.939 220.176 1.00 36.70 H +ATOM 9076 HG22 VAL B 46 176.526 198.111 221.237 1.00 36.70 H +ATOM 9077 HG23 VAL B 46 177.892 197.938 220.444 1.00 36.70 H +ATOM 9078 N CYS B 47 178.464 196.476 225.276 1.00 45.07 N +ATOM 9079 CA CYS B 47 178.950 195.630 226.359 1.00 48.98 C +ATOM 9080 C CYS B 47 178.242 194.285 226.346 1.00 41.85 C +ATOM 9081 O CYS B 47 177.038 194.202 226.113 1.00 42.11 O +ATOM 9082 CB CYS B 47 178.755 196.307 227.715 1.00 48.53 C +ATOM 9083 SG CYS B 47 179.652 195.506 229.079 1.00 42.49 S +ATOM 9084 H CYS B 47 177.823 197.003 225.505 1.00 54.08 H +ATOM 9085 HA CYS B 47 179.899 195.472 226.235 1.00 58.78 H +ATOM 9086 HB2 CYS B 47 179.067 197.223 227.654 1.00 58.23 H +ATOM 9087 HB3 CYS B 47 177.810 196.296 227.936 1.00 58.23 H +ATOM 9088 N MET B 48 179.012 193.236 226.597 1.00 52.84 N +ATOM 9089 CA MET B 48 178.505 191.877 226.597 1.00 47.43 C +ATOM 9090 C MET B 48 179.192 191.116 227.715 1.00 45.72 C +ATOM 9091 O MET B 48 180.412 191.179 227.852 1.00 43.00 O +ATOM 9092 CB MET B 48 178.766 191.208 225.246 1.00 44.92 C +ATOM 9093 CG MET B 48 178.194 189.808 225.111 1.00 42.75 C +ATOM 9094 SD MET B 48 178.647 189.024 223.554 1.00 43.84 S +ATOM 9095 CE MET B 48 180.423 188.880 223.737 1.00 56.22 C +ATOM 9096 H MET B 48 179.852 193.290 226.775 1.00 63.41 H +ATOM 9097 HA MET B 48 177.548 191.889 226.754 1.00 56.91 H +ATOM 9098 HB2 MET B 48 178.372 191.755 224.548 1.00 53.91 H +ATOM 9099 HB3 MET B 48 179.724 191.147 225.110 1.00 53.91 H +ATOM 9100 HG2 MET B 48 178.531 189.257 225.835 1.00 51.30 H +ATOM 9101 HG3 MET B 48 177.226 189.857 225.153 1.00 51.30 H +ATOM 9102 HE1 MET B 48 180.790 188.462 222.942 1.00 67.47 H +ATOM 9103 HE2 MET B 48 180.802 189.766 223.849 1.00 67.47 H +ATOM 9104 HE3 MET B 48 180.617 188.336 224.516 1.00 67.47 H +ATOM 9105 N SER B 49 178.413 190.412 228.525 1.00 42.16 N +ATOM 9106 CA SER B 49 178.989 189.605 229.587 1.00 41.50 C +ATOM 9107 C SER B 49 179.630 188.367 228.976 1.00 47.00 C +ATOM 9108 O SER B 49 179.113 187.803 228.013 1.00 41.66 O +ATOM 9109 CB SER B 49 177.931 189.210 230.619 1.00 34.44 C +ATOM 9110 OG SER B 49 176.969 188.334 230.058 1.00 37.88 O +ATOM 9111 H SER B 49 177.554 190.384 228.481 1.00 50.59 H +ATOM 9112 HA SER B 49 179.680 190.115 230.039 1.00 49.80 H +ATOM 9113 HB2 SER B 49 178.366 188.765 231.362 1.00 41.33 H +ATOM 9114 HB3 SER B 49 177.481 190.012 230.930 1.00 41.33 H +ATOM 9115 HG SER B 49 177.344 187.634 229.783 1.00 45.45 H +ATOM 9116 N VAL B 50 180.770 187.968 229.528 1.00 43.51 N +ATOM 9117 CA VAL B 50 181.452 186.750 229.112 1.00 45.85 C +ATOM 9118 C VAL B 50 181.789 185.961 230.366 1.00 49.43 C +ATOM 9119 O VAL B 50 182.738 186.282 231.075 1.00 52.81 O +ATOM 9120 CB VAL B 50 182.727 187.048 228.304 1.00 44.18 C +ATOM 9121 CG1 VAL B 50 183.397 185.754 227.871 1.00 47.09 C +ATOM 9122 CG2 VAL B 50 182.396 187.903 227.091 1.00 47.75 C +ATOM 9123 H VAL B 50 181.175 188.393 230.156 1.00 52.21 H +ATOM 9124 HA VAL B 50 180.857 186.216 228.563 1.00 55.02 H +ATOM 9125 HB VAL B 50 183.350 187.540 228.862 1.00 53.02 H +ATOM 9126 HG11 VAL B 50 184.196 185.967 227.365 1.00 56.51 H +ATOM 9127 HG12 VAL B 50 183.631 185.240 228.660 1.00 56.51 H +ATOM 9128 HG13 VAL B 50 182.780 185.249 227.318 1.00 56.51 H +ATOM 9129 HG21 VAL B 50 183.212 188.078 226.597 1.00 57.30 H +ATOM 9130 HG22 VAL B 50 181.766 187.424 226.531 1.00 57.30 H +ATOM 9131 HG23 VAL B 50 182.005 188.738 227.392 1.00 57.30 H +ATOM 9132 N GLY B 51 181.000 184.932 230.640 1.00 43.94 N +ATOM 9133 CA GLY B 51 181.080 184.252 231.915 1.00 46.93 C +ATOM 9134 C GLY B 51 180.486 185.148 232.982 1.00 51.67 C +ATOM 9135 O GLY B 51 179.802 186.123 232.670 1.00 57.74 O +ATOM 9136 H GLY B 51 180.411 184.610 230.103 1.00 52.73 H +ATOM 9137 HA2 GLY B 51 180.582 183.420 231.883 1.00 56.32 H +ATOM 9138 HA3 GLY B 51 182.005 184.063 232.136 1.00 56.32 H +ATOM 9139 N PHE B 52 180.760 184.834 234.241 1.00 60.65 N +ATOM 9140 CA PHE B 52 180.137 185.543 235.353 1.00 57.80 C +ATOM 9141 C PHE B 52 180.911 186.781 235.802 1.00 65.39 C +ATOM 9142 O PHE B 52 180.328 187.698 236.377 1.00 63.24 O +ATOM 9143 CB PHE B 52 179.966 184.595 236.539 1.00 56.29 C +ATOM 9144 CG PHE B 52 178.979 183.491 236.292 1.00 55.75 C +ATOM 9145 CD1 PHE B 52 177.635 183.670 236.574 1.00 55.77 C +ATOM 9146 CD2 PHE B 52 179.393 182.277 235.772 1.00 56.77 C +ATOM 9147 CE1 PHE B 52 176.725 182.658 236.347 1.00 54.59 C +ATOM 9148 CE2 PHE B 52 178.485 181.262 235.543 1.00 56.80 C +ATOM 9149 CZ PHE B 52 177.150 181.454 235.831 1.00 53.29 C +ATOM 9150 H PHE B 52 181.305 184.213 234.481 1.00 72.78 H +ATOM 9151 HA PHE B 52 179.253 185.833 235.078 1.00 69.36 H +ATOM 9152 HB2 PHE B 52 180.823 184.187 236.740 1.00 67.55 H +ATOM 9153 HB3 PHE B 52 179.657 185.104 237.304 1.00 67.55 H +ATOM 9154 HD1 PHE B 52 177.343 184.481 236.923 1.00 66.92 H +ATOM 9155 HD2 PHE B 52 180.292 182.143 235.577 1.00 68.12 H +ATOM 9156 HE1 PHE B 52 175.825 182.789 236.541 1.00 65.51 H +ATOM 9157 HE2 PHE B 52 178.774 180.450 235.195 1.00 68.16 H +ATOM 9158 HZ PHE B 52 176.538 180.771 235.676 1.00 63.95 H +ATOM 9159 N ASP B 53 182.213 186.813 235.530 1.00 71.28 N +ATOM 9160 CA ASP B 53 183.086 187.845 236.092 1.00 74.81 C +ATOM 9161 C ASP B 53 183.768 188.733 235.049 1.00 63.64 C +ATOM 9162 O ASP B 53 184.533 189.628 235.406 1.00 72.36 O +ATOM 9163 CB ASP B 53 184.155 187.187 236.966 1.00 86.39 C +ATOM 9164 CG ASP B 53 185.068 186.264 236.180 1.00 89.11 C +ATOM 9165 OD1 ASP B 53 184.728 185.929 235.024 1.00 87.03 O +ATOM 9166 OD2 ASP B 53 186.123 185.870 236.720 1.00 93.70 O +ATOM 9167 H ASP B 53 182.618 186.248 235.023 1.00 85.53 H +ATOM 9168 HA ASP B 53 182.554 188.421 236.662 1.00 89.78 H +ATOM 9169 HB2 ASP B 53 184.703 187.878 237.370 1.00103.67 H +ATOM 9170 HB3 ASP B 53 183.720 186.662 237.656 1.00103.67 H +ATOM 9171 N GLN B 54 183.495 188.494 233.770 1.00 64.64 N +ATOM 9172 CA GLN B 54 184.129 189.260 232.700 1.00 69.79 C +ATOM 9173 C GLN B 54 183.126 189.849 231.719 1.00 52.38 C +ATOM 9174 O GLN B 54 181.978 189.416 231.646 1.00 44.88 O +ATOM 9175 CB GLN B 54 185.122 188.389 231.931 1.00 60.97 C +ATOM 9176 CG GLN B 54 186.378 188.050 232.698 1.00 55.98 C +ATOM 9177 CD GLN B 54 187.514 187.665 231.778 1.00 64.01 C +ATOM 9178 OE1 GLN B 54 187.905 186.500 231.705 1.00 69.47 O +ATOM 9179 NE2 GLN B 54 188.049 188.647 231.061 1.00 65.98 N +ATOM 9180 H GLN B 54 182.945 187.892 233.494 1.00 77.56 H +ATOM 9181 HA GLN B 54 184.624 189.995 233.094 1.00 83.75 H +ATOM 9182 HB2 GLN B 54 184.687 187.554 231.696 1.00 73.16 H +ATOM 9183 HB3 GLN B 54 185.388 188.857 231.124 1.00 73.16 H +ATOM 9184 HG2 GLN B 54 186.655 188.823 233.214 1.00 67.18 H +ATOM 9185 HG3 GLN B 54 186.199 187.301 233.288 1.00 67.18 H +ATOM 9186 HE21 GLN B 54 187.746 189.449 231.136 1.00 79.18 H +ATOM 9187 HE22 GLN B 54 188.698 188.482 230.522 1.00 79.18 H +ATOM 9188 N TYR B 55 183.583 190.846 230.969 1.00 46.87 N +ATOM 9189 CA TYR B 55 182.789 191.455 229.915 1.00 48.16 C +ATOM 9190 C TYR B 55 183.631 191.622 228.660 1.00 42.25 C +ATOM 9191 O TYR B 55 184.857 191.552 228.713 1.00 44.47 O +ATOM 9192 CB TYR B 55 182.231 192.813 230.358 1.00 42.38 C +ATOM 9193 CG TYR B 55 183.278 193.888 230.547 1.00 43.30 C +ATOM 9194 CD1 TYR B 55 183.858 194.111 231.787 1.00 50.50 C +ATOM 9195 CD2 TYR B 55 183.679 194.686 229.485 1.00 52.77 C +ATOM 9196 CE1 TYR B 55 184.813 195.094 231.964 1.00 40.76 C +ATOM 9197 CE2 TYR B 55 184.634 195.669 229.653 1.00 57.27 C +ATOM 9198 CZ TYR B 55 185.197 195.869 230.895 1.00 50.42 C +ATOM 9199 OH TYR B 55 186.145 196.846 231.070 1.00 51.82 O +ATOM 9200 H TYR B 55 184.365 191.192 231.055 1.00 56.25 H +ATOM 9201 HA TYR B 55 182.041 190.875 229.703 1.00 57.79 H +ATOM 9202 HB2 TYR B 55 181.605 193.126 229.686 1.00 50.86 H +ATOM 9203 HB3 TYR B 55 181.771 192.698 231.205 1.00 50.86 H +ATOM 9204 HD1 TYR B 55 183.601 193.588 232.512 1.00 60.60 H +ATOM 9205 HD2 TYR B 55 183.303 194.553 228.645 1.00 63.32 H +ATOM 9206 HE1 TYR B 55 185.194 195.230 232.802 1.00 48.91 H +ATOM 9207 HE2 TYR B 55 184.895 196.196 228.932 1.00 68.73 H +ATOM 9208 HH TYR B 55 186.286 197.242 230.342 1.00 62.18 H +ATOM 9209 N LYS B 56 182.959 191.832 227.535 1.00 50.12 N +ATOM 9210 CA LYS B 56 183.621 192.102 226.268 1.00 48.28 C +ATOM 9211 C LYS B 56 182.964 193.304 225.609 1.00 47.26 C +ATOM 9212 O LYS B 56 181.737 193.393 225.554 1.00 43.47 O +ATOM 9213 CB LYS B 56 183.556 190.880 225.348 1.00 49.83 C +ATOM 9214 CG LYS B 56 184.196 191.082 223.981 1.00 52.32 C +ATOM 9215 CD LYS B 56 185.672 191.425 224.097 1.00 60.32 C +ATOM 9216 CE LYS B 56 186.371 191.340 222.750 1.00 60.11 C +ATOM 9217 NZ LYS B 56 185.751 192.238 221.740 1.00 60.52 N +ATOM 9218 H LYS B 56 182.100 191.824 227.480 1.00 60.15 H +ATOM 9219 HA LYS B 56 184.554 192.313 226.431 1.00 57.93 H +ATOM 9220 HB2 LYS B 56 184.013 190.142 225.781 1.00 59.79 H +ATOM 9221 HB3 LYS B 56 182.625 190.649 225.206 1.00 59.79 H +ATOM 9222 HG2 LYS B 56 184.114 190.265 223.466 1.00 62.78 H +ATOM 9223 HG3 LYS B 56 183.750 191.813 223.524 1.00 62.78 H +ATOM 9224 HD2 LYS B 56 185.765 192.331 224.431 1.00 72.38 H +ATOM 9225 HD3 LYS B 56 186.100 190.798 224.701 1.00 72.38 H +ATOM 9226 HE2 LYS B 56 187.299 191.600 222.856 1.00 72.13 H +ATOM 9227 HE3 LYS B 56 186.315 190.430 222.419 1.00 72.13 H +ATOM 9228 HZ1 LYS B 56 186.182 192.165 220.964 1.00 72.63 H +ATOM 9229 HZ2 LYS B 56 184.898 192.016 221.619 1.00 72.63 H +ATOM 9230 HZ3 LYS B 56 185.794 193.082 222.017 1.00 72.63 H +ATOM 9231 N CYS B 57 183.783 194.232 225.125 1.00 39.95 N +ATOM 9232 CA CYS B 57 183.281 195.419 224.449 1.00 39.26 C +ATOM 9233 C CYS B 57 183.402 195.268 222.940 1.00 42.41 C +ATOM 9234 O CYS B 57 184.482 194.997 222.412 1.00 44.50 O +ATOM 9235 CB CYS B 57 184.032 196.668 224.906 1.00 40.98 C +ATOM 9236 SG CYS B 57 183.645 197.199 226.592 1.00 40.37 S +ATOM 9237 H CYS B 57 184.641 194.195 225.176 1.00 47.94 H +ATOM 9238 HA CYS B 57 182.343 195.535 224.666 1.00 47.11 H +ATOM 9239 HB2 CYS B 57 184.985 196.490 224.865 1.00 49.17 H +ATOM 9240 HB3 CYS B 57 183.811 197.400 224.309 1.00 49.17 H +ATOM 9241 N ASP B 58 182.278 195.438 222.257 1.00 37.33 N +ATOM 9242 CA ASP B 58 182.239 195.405 220.806 1.00 35.60 C +ATOM 9243 C ASP B 58 182.478 196.810 220.274 1.00 34.06 C +ATOM 9244 O ASP B 58 181.649 197.696 220.453 1.00 39.16 O +ATOM 9245 CB ASP B 58 180.898 194.861 220.322 1.00 40.44 C +ATOM 9246 CG ASP B 58 180.920 194.476 218.866 1.00 34.99 C +ATOM 9247 OD1 ASP B 58 181.863 194.881 218.154 1.00 37.45 O +ATOM 9248 OD2 ASP B 58 179.991 193.769 218.432 1.00 35.07 O +ATOM 9249 H ASP B 58 181.511 195.576 222.620 1.00 44.80 H +ATOM 9250 HA ASP B 58 182.944 194.826 220.475 1.00 42.72 H +ATOM 9251 HB2 ASP B 58 180.672 194.071 220.838 1.00 48.52 H +ATOM 9252 HB3 ASP B 58 180.219 195.543 220.442 1.00 48.52 H +ATOM 9253 N CYS B 59 183.621 197.007 219.626 1.00 36.52 N +ATOM 9254 CA CYS B 59 184.043 198.328 219.179 1.00 38.58 C +ATOM 9255 C CYS B 59 183.721 198.565 217.708 1.00 33.24 C +ATOM 9256 O CYS B 59 184.115 199.583 217.144 1.00 35.89 O +ATOM 9257 CB CYS B 59 185.546 198.506 219.417 1.00 43.88 C +ATOM 9258 SG CYS B 59 186.037 198.435 221.156 1.00 47.05 S +ATOM 9259 H CYS B 59 184.178 196.381 219.431 1.00 43.83 H +ATOM 9260 HA CYS B 59 183.576 199.000 219.699 1.00 46.29 H +ATOM 9261 HB2 CYS B 59 186.021 197.802 218.948 1.00 52.66 H +ATOM 9262 HB3 CYS B 59 185.816 199.371 219.070 1.00 52.66 H +ATOM 9263 N THR B 60 183.005 197.624 217.102 1.00 33.51 N +ATOM 9264 CA THR B 60 182.673 197.676 215.679 1.00 32.63 C +ATOM 9265 C THR B 60 182.123 199.033 215.238 1.00 28.18 C +ATOM 9266 O THR B 60 181.108 199.501 215.749 1.00 34.64 O +ATOM 9267 CB THR B 60 181.636 196.588 215.320 1.00 36.87 C +ATOM 9268 OG1 THR B 60 182.138 195.301 215.699 1.00 30.60 O +ATOM 9269 CG2 THR B 60 181.334 196.585 213.824 1.00 28.33 C +ATOM 9270 H THR B 60 182.693 196.929 217.501 1.00 40.21 H +ATOM 9271 HA THR B 60 183.476 197.501 215.165 1.00 39.15 H +ATOM 9272 HB THR B 60 180.810 196.763 215.797 1.00 44.24 H +ATOM 9273 HG1 THR B 60 182.282 195.281 216.526 1.00 36.72 H +ATOM 9274 HG21 THR B 60 180.682 195.896 213.619 1.00 34.00 H +ATOM 9275 HG22 THR B 60 180.977 197.446 213.556 1.00 34.00 H +ATOM 9276 HG23 THR B 60 182.145 196.410 213.322 1.00 34.00 H +ATOM 9277 N ARG B 61 182.815 199.648 214.284 1.00 33.40 N +ATOM 9278 CA ARG B 61 182.403 200.916 213.679 1.00 31.37 C +ATOM 9279 C ARG B 61 182.165 202.039 214.695 1.00 31.45 C +ATOM 9280 O ARG B 61 181.371 202.944 214.446 1.00 34.19 O +ATOM 9281 CB ARG B 61 181.140 200.703 212.836 1.00 29.09 C +ATOM 9282 CG ARG B 61 181.394 199.963 211.542 1.00 30.55 C +ATOM 9283 CD ARG B 61 180.134 199.840 210.709 1.00 26.72 C +ATOM 9284 NE ARG B 61 179.152 198.955 211.328 1.00 27.70 N +ATOM 9285 CZ ARG B 61 179.197 197.628 211.272 1.00 32.89 C +ATOM 9286 NH1 ARG B 61 178.257 196.907 211.867 1.00 29.34 N +ATOM 9287 NH2 ARG B 61 180.184 197.017 210.630 1.00 38.24 N +ATOM 9288 H ARG B 61 183.551 199.342 213.959 1.00 40.08 H +ATOM 9289 HA ARG B 61 183.106 201.211 213.080 1.00 37.64 H +ATOM 9290 HB2 ARG B 61 180.501 200.187 213.353 1.00 34.91 H +ATOM 9291 HB3 ARG B 61 180.762 201.569 212.615 1.00 34.91 H +ATOM 9292 HG2 ARG B 61 182.055 200.447 211.022 1.00 36.66 H +ATOM 9293 HG3 ARG B 61 181.714 199.070 211.742 1.00 36.66 H +ATOM 9294 HD2 ARG B 61 179.730 200.717 210.610 1.00 32.06 H +ATOM 9295 HD3 ARG B 61 180.361 199.477 209.839 1.00 32.06 H +ATOM 9296 HE ARG B 61 178.500 199.317 211.757 1.00 33.24 H +ATOM 9297 HH11 ARG B 61 177.616 197.298 212.286 1.00 35.20 H +ATOM 9298 HH12 ARG B 61 178.288 196.049 211.833 1.00 35.20 H +ATOM 9299 HH21 ARG B 61 180.796 197.480 210.243 1.00 45.88 H +ATOM 9300 HH22 ARG B 61 180.209 196.158 210.599 1.00 45.88 H +ATOM 9301 N THR B 62 182.861 201.992 215.827 1.00 35.11 N +ATOM 9302 CA THR B 62 182.795 203.075 216.806 1.00 31.06 C +ATOM 9303 C THR B 62 183.818 204.166 216.505 1.00 38.75 C +ATOM 9304 O THR B 62 183.673 205.303 216.955 1.00 35.92 O +ATOM 9305 CB THR B 62 183.040 202.571 218.240 1.00 37.61 C +ATOM 9306 OG1 THR B 62 184.337 201.965 218.327 1.00 38.32 O +ATOM 9307 CG2 THR B 62 181.972 201.565 218.649 1.00 39.63 C +ATOM 9308 H THR B 62 183.379 201.344 216.053 1.00 42.13 H +ATOM 9309 HA THR B 62 181.911 203.474 216.776 1.00 37.28 H +ATOM 9310 HB THR B 62 182.998 203.322 218.852 1.00 45.13 H +ATOM 9311 HG1 THR B 62 184.387 201.316 217.796 1.00 45.98 H +ATOM 9312 HG21 THR B 62 182.137 201.255 219.553 1.00 47.55 H +ATOM 9313 HG22 THR B 62 181.096 201.980 218.613 1.00 47.55 H +ATOM 9314 HG23 THR B 62 181.985 200.804 218.047 1.00 47.55 H +ATOM 9315 N GLY B 63 184.847 203.816 215.740 1.00 34.81 N +ATOM 9316 CA GLY B 63 185.964 204.712 215.499 1.00 43.08 C +ATOM 9317 C GLY B 63 187.018 204.573 216.581 1.00 40.95 C +ATOM 9318 O GLY B 63 188.001 205.314 216.600 1.00 44.38 O +ATOM 9319 H GLY B 63 184.920 203.055 215.346 1.00 41.77 H +ATOM 9320 HA2 GLY B 63 186.368 204.507 214.641 1.00 51.70 H +ATOM 9321 HA3 GLY B 63 185.650 205.629 215.485 1.00 51.70 H +ATOM 9322 N PHE B 64 186.809 203.618 217.482 1.00 36.17 N +ATOM 9323 CA PHE B 64 187.729 203.366 218.584 1.00 39.89 C +ATOM 9324 C PHE B 64 188.070 201.883 218.681 1.00 41.68 C +ATOM 9325 O PHE B 64 187.482 201.052 217.990 1.00 42.32 O +ATOM 9326 CB PHE B 64 187.124 203.841 219.908 1.00 37.87 C +ATOM 9327 CG PHE B 64 186.903 205.324 219.978 1.00 38.26 C +ATOM 9328 CD1 PHE B 64 185.785 205.899 219.400 1.00 40.48 C +ATOM 9329 CD2 PHE B 64 187.808 206.142 220.629 1.00 43.41 C +ATOM 9330 CE1 PHE B 64 185.580 207.266 219.466 1.00 43.41 C +ATOM 9331 CE2 PHE B 64 187.607 207.507 220.698 1.00 46.90 C +ATOM 9332 CZ PHE B 64 186.491 208.068 220.116 1.00 46.18 C +ATOM 9333 H PHE B 64 186.128 203.093 217.475 1.00 43.40 H +ATOM 9334 HA PHE B 64 188.551 203.857 218.433 1.00 47.87 H +ATOM 9335 HB2 PHE B 64 186.266 203.407 220.033 1.00 45.45 H +ATOM 9336 HB3 PHE B 64 187.724 203.597 220.630 1.00 45.45 H +ATOM 9337 HD1 PHE B 64 185.167 205.362 218.960 1.00 48.58 H +ATOM 9338 HD2 PHE B 64 188.563 205.768 221.023 1.00 52.09 H +ATOM 9339 HE1 PHE B 64 184.826 207.642 219.073 1.00 52.09 H +ATOM 9340 HE2 PHE B 64 188.224 208.046 221.137 1.00 56.27 H +ATOM 9341 HZ PHE B 64 186.354 208.987 220.161 1.00 55.41 H +ATOM 9342 N TYR B 65 189.029 201.566 219.542 1.00 39.29 N +ATOM 9343 CA TYR B 65 189.367 200.184 219.848 1.00 41.65 C +ATOM 9344 C TYR B 65 189.961 200.116 221.248 1.00 40.84 C +ATOM 9345 O TYR B 65 190.129 201.142 221.905 1.00 38.29 O +ATOM 9346 CB TYR B 65 190.341 199.608 218.817 1.00 38.04 C +ATOM 9347 CG TYR B 65 191.649 200.357 218.713 1.00 42.37 C +ATOM 9348 CD1 TYR B 65 191.796 201.408 217.821 1.00 45.62 C +ATOM 9349 CD2 TYR B 65 192.738 200.010 219.504 1.00 41.91 C +ATOM 9350 CE1 TYR B 65 192.986 202.095 217.720 1.00 58.44 C +ATOM 9351 CE2 TYR B 65 193.933 200.692 219.408 1.00 39.26 C +ATOM 9352 CZ TYR B 65 194.052 201.734 218.515 1.00 53.07 C +ATOM 9353 OH TYR B 65 195.237 202.419 218.412 1.00 54.18 O +ATOM 9354 H TYR B 65 189.505 202.143 219.967 1.00 47.14 H +ATOM 9355 HA TYR B 65 188.559 199.648 219.835 1.00 49.98 H +ATOM 9356 HB2 TYR B 65 190.545 198.692 219.060 1.00 45.65 H +ATOM 9357 HB3 TYR B 65 189.919 199.629 217.945 1.00 45.65 H +ATOM 9358 HD1 TYR B 65 191.079 201.655 217.283 1.00 54.74 H +ATOM 9359 HD2 TYR B 65 192.659 199.308 220.108 1.00 50.29 H +ATOM 9360 HE1 TYR B 65 193.070 202.798 217.118 1.00 70.13 H +ATOM 9361 HE2 TYR B 65 194.654 200.451 219.944 1.00 47.11 H +ATOM 9362 HH TYR B 65 195.800 202.101 218.948 1.00 65.02 H +ATOM 9363 N GLY B 66 190.274 198.905 221.694 1.00 35.88 N +ATOM 9364 CA GLY B 66 190.777 198.683 223.036 1.00 45.69 C +ATOM 9365 C GLY B 66 189.734 197.984 223.884 1.00 46.97 C +ATOM 9366 O GLY B 66 188.606 197.775 223.437 1.00 51.41 O +ATOM 9367 H GLY B 66 190.201 198.186 221.228 1.00 43.06 H +ATOM 9368 HA2 GLY B 66 191.574 198.131 223.002 1.00 54.83 H +ATOM 9369 HA3 GLY B 66 191.000 199.532 223.449 1.00 54.83 H +ATOM 9370 N GLU B 67 190.111 197.630 225.108 1.00 53.12 N +ATOM 9371 CA GLU B 67 189.235 196.880 226.003 1.00 58.80 C +ATOM 9372 C GLU B 67 187.895 197.577 226.221 1.00 57.82 C +ATOM 9373 O GLU B 67 186.865 196.919 226.354 1.00 49.14 O +ATOM 9374 CB GLU B 67 189.920 196.661 227.353 1.00 67.26 C +ATOM 9375 CG GLU B 67 189.085 195.868 228.349 1.00 76.03 C +ATOM 9376 CD GLU B 67 189.813 195.614 229.652 1.00 81.19 C +ATOM 9377 OE1 GLU B 67 190.766 196.361 229.957 1.00 85.06 O +ATOM 9378 OE2 GLU B 67 189.434 194.666 230.370 1.00 82.46 O +ATOM 9379 H GLU B 67 190.879 197.814 225.448 1.00 63.74 H +ATOM 9380 HA GLU B 67 189.059 196.010 225.613 1.00 70.56 H +ATOM 9381 HB2 GLU B 67 190.747 196.175 227.208 1.00 80.72 H +ATOM 9382 HB3 GLU B 67 190.112 197.525 227.749 1.00 80.72 H +ATOM 9383 HG2 GLU B 67 188.276 196.365 228.550 1.00 91.24 H +ATOM 9384 HG3 GLU B 67 188.859 195.009 227.960 1.00 91.24 H +ATOM 9385 N ASN B 68 187.918 198.905 226.251 1.00 65.57 N +ATOM 9386 CA ASN B 68 186.730 199.698 226.555 1.00 57.70 C +ATOM 9387 C ASN B 68 186.350 200.652 225.423 1.00 45.09 C +ATOM 9388 O ASN B 68 185.538 201.555 225.617 1.00 43.27 O +ATOM 9389 CB ASN B 68 186.954 200.488 227.845 1.00 56.00 C +ATOM 9390 CG ASN B 68 187.280 199.594 229.026 1.00 77.64 C +ATOM 9391 OD1 ASN B 68 186.686 198.529 229.196 1.00 72.66 O +ATOM 9392 ND2 ASN B 68 188.231 200.021 229.850 1.00107.67 N +ATOM 9393 H ASN B 68 188.619 199.378 226.097 1.00 78.68 H +ATOM 9394 HA ASN B 68 185.982 199.098 226.700 1.00 69.24 H +ATOM 9395 HB2 ASN B 68 187.696 201.100 227.717 1.00 67.19 H +ATOM 9396 HB3 ASN B 68 186.148 200.984 228.057 1.00 67.19 H +ATOM 9397 HD21 ASN B 68 188.622 200.771 229.699 1.00129.20 H +ATOM 9398 N CYS B 69 186.929 200.438 224.245 1.00 45.56 N +ATOM 9399 CA CYS B 69 186.671 201.295 223.088 1.00 43.77 C +ATOM 9400 C CYS B 69 186.982 202.759 223.391 1.00 43.85 C +ATOM 9401 O CYS B 69 186.203 203.643 223.043 1.00 46.88 O +ATOM 9402 CB CYS B 69 185.211 201.167 222.632 1.00 47.87 C +ATOM 9403 SG CYS B 69 184.683 199.488 222.246 1.00 54.95 S +ATOM 9404 H CYS B 69 187.481 199.798 224.087 1.00 54.67 H +ATOM 9405 HA CYS B 69 187.239 201.014 222.354 1.00 52.52 H +ATOM 9406 HB2 CYS B 69 184.636 201.499 223.339 1.00 57.44 H +ATOM 9407 HB3 CYS B 69 185.088 201.704 221.833 1.00 57.44 H +ATOM 9408 N SER B 70 188.119 203.011 224.035 1.00 47.15 N +ATOM 9409 CA SER B 70 188.482 204.362 224.453 1.00 43.39 C +ATOM 9410 C SER B 70 189.714 204.898 223.722 1.00 44.37 C +ATOM 9411 O SER B 70 190.047 206.076 223.849 1.00 46.89 O +ATOM 9412 CB SER B 70 188.722 204.399 225.965 1.00 34.38 C +ATOM 9413 OG SER B 70 189.727 203.479 226.350 1.00 60.52 O +ATOM 9414 H SER B 70 188.700 202.413 224.243 1.00 56.58 H +ATOM 9415 HA SER B 70 187.742 204.958 224.258 1.00 52.06 H +ATOM 9416 HB2 SER B 70 189.000 205.293 226.217 1.00 41.26 H +ATOM 9417 HB3 SER B 70 187.896 204.170 226.419 1.00 41.26 H +ATOM 9418 HG SER B 70 189.845 203.513 227.181 1.00 72.63 H +ATOM 9419 N THR B 71 190.384 204.044 222.954 1.00 45.39 N +ATOM 9420 CA THR B 71 191.519 204.478 222.144 1.00 47.53 C +ATOM 9421 C THR B 71 191.036 204.863 220.744 1.00 40.92 C +ATOM 9422 O THR B 71 190.429 204.046 220.055 1.00 43.89 O +ATOM 9423 CB THR B 71 192.594 203.386 222.023 1.00 45.96 C +ATOM 9424 OG1 THR B 71 192.970 202.939 223.331 1.00 49.90 O +ATOM 9425 CG2 THR B 71 193.828 203.923 221.296 1.00 42.09 C +ATOM 9426 H THR B 71 190.202 203.206 222.884 1.00 54.47 H +ATOM 9427 HA THR B 71 191.924 205.260 222.552 1.00 57.03 H +ATOM 9428 HB THR B 71 192.240 202.639 221.515 1.00 55.15 H +ATOM 9429 HG1 THR B 71 192.301 202.625 223.730 1.00 59.88 H +ATOM 9430 HG21 THR B 71 194.500 203.227 221.225 1.00 50.51 H +ATOM 9431 HG22 THR B 71 193.585 204.219 220.405 1.00 50.51 H +ATOM 9432 HG23 THR B 71 194.201 204.673 221.787 1.00 50.51 H +ATOM 9433 N PRO B 72 191.302 206.108 220.311 1.00 37.00 N +ATOM 9434 CA PRO B 72 190.806 206.529 218.997 1.00 46.37 C +ATOM 9435 C PRO B 72 191.676 206.058 217.838 1.00 49.71 C +ATOM 9436 O PRO B 72 192.898 206.010 217.961 1.00 57.40 O +ATOM 9437 CB PRO B 72 190.834 208.053 219.097 1.00 49.33 C +ATOM 9438 CG PRO B 72 191.976 208.330 220.009 1.00 44.22 C +ATOM 9439 CD PRO B 72 191.997 207.205 221.009 1.00 42.68 C +ATOM 9440 HA PRO B 72 189.894 206.228 218.863 1.00 55.64 H +ATOM 9441 HB2 PRO B 72 190.988 208.439 218.221 1.00 59.20 H +ATOM 9442 HB3 PRO B 72 190.001 208.374 219.477 1.00 59.20 H +ATOM 9443 HG2 PRO B 72 192.801 208.346 219.499 1.00 53.07 H +ATOM 9444 HG3 PRO B 72 191.836 209.179 220.456 1.00 53.07 H +ATOM 9445 HD2 PRO B 72 192.910 206.950 221.213 1.00 51.22 H +ATOM 9446 HD3 PRO B 72 191.511 207.456 221.810 1.00 51.22 H +ATOM 9447 N GLU B 73 191.041 205.712 216.724 1.00 48.18 N +ATOM 9448 CA GLU B 73 191.759 205.472 215.481 1.00 41.01 C +ATOM 9449 C GLU B 73 192.201 206.828 214.950 1.00 48.56 C +ATOM 9450 O GLU B 73 191.782 207.861 215.472 1.00 49.63 O +ATOM 9451 CB GLU B 73 190.878 204.734 214.478 1.00 44.85 C +ATOM 9452 CG GLU B 73 190.439 203.358 214.962 1.00 48.21 C +ATOM 9453 CD GLU B 73 189.262 202.801 214.187 1.00 53.05 C +ATOM 9454 OE1 GLU B 73 188.626 203.561 213.427 1.00 50.20 O +ATOM 9455 OE2 GLU B 73 188.971 201.597 214.341 1.00 58.08 O +ATOM 9456 H GLU B 73 190.190 205.610 216.662 1.00 57.82 H +ATOM 9457 HA GLU B 73 192.547 204.935 215.657 1.00 49.21 H +ATOM 9458 HB2 GLU B 73 190.080 205.261 214.313 1.00 53.82 H +ATOM 9459 HB3 GLU B 73 191.373 204.616 213.652 1.00 53.82 H +ATOM 9460 HG2 GLU B 73 191.180 202.739 214.865 1.00 57.86 H +ATOM 9461 HG3 GLU B 73 190.179 203.420 215.894 1.00 57.86 H +ATOM 9462 N PHE B 74 193.036 206.843 213.917 1.00 48.46 N +ATOM 9463 CA PHE B 74 193.694 208.086 213.530 1.00 65.49 C +ATOM 9464 C PHE B 74 192.731 209.142 212.989 1.00 51.87 C +ATOM 9465 O PHE B 74 192.859 210.318 213.319 1.00 49.43 O +ATOM 9466 CB PHE B 74 194.786 207.824 212.494 1.00 68.85 C +ATOM 9467 CG PHE B 74 195.756 208.960 212.357 1.00 74.85 C +ATOM 9468 CD1 PHE B 74 196.688 209.207 213.351 1.00 76.62 C +ATOM 9469 CD2 PHE B 74 195.725 209.793 211.254 1.00 77.17 C +ATOM 9470 CE1 PHE B 74 197.576 210.253 213.242 1.00 83.51 C +ATOM 9471 CE2 PHE B 74 196.616 210.844 211.140 1.00 85.08 C +ATOM 9472 CZ PHE B 74 197.541 211.073 212.135 1.00 86.24 C +ATOM 9473 H PHE B 74 193.235 206.162 213.432 1.00 58.15 H +ATOM 9474 HA PHE B 74 194.123 208.461 214.315 1.00 78.59 H +ATOM 9475 HB2 PHE B 74 195.285 207.035 212.756 1.00 82.62 H +ATOM 9476 HB3 PHE B 74 194.371 207.680 211.629 1.00 82.62 H +ATOM 9477 HD1 PHE B 74 196.716 208.657 214.100 1.00 91.95 H +ATOM 9478 HD2 PHE B 74 195.102 209.642 210.580 1.00 92.60 H +ATOM 9479 HE1 PHE B 74 198.200 210.406 213.914 1.00100.21 H +ATOM 9480 HE2 PHE B 74 196.590 211.396 210.392 1.00102.10 H +ATOM 9481 HZ PHE B 74 198.142 211.779 212.060 1.00103.49 H +ATOM 9482 N LEU B 75 191.778 208.736 212.157 1.00 51.21 N +ATOM 9483 CA LEU B 75 190.837 209.692 211.582 1.00 47.09 C +ATOM 9484 C LEU B 75 189.865 210.189 212.640 1.00 48.27 C +ATOM 9485 O LEU B 75 189.334 211.294 212.537 1.00 51.74 O +ATOM 9486 CB LEU B 75 190.074 209.074 210.412 1.00 48.74 C +ATOM 9487 CG LEU B 75 190.904 208.626 209.203 1.00 78.51 C +ATOM 9488 CD1 LEU B 75 190.022 208.595 207.965 1.00 60.21 C +ATOM 9489 CD2 LEU B 75 192.127 209.513 208.971 1.00 67.18 C +ATOM 9490 H LEU B 75 191.655 207.921 211.911 1.00 61.45 H +ATOM 9491 HA LEU B 75 191.331 210.457 211.247 1.00 56.51 H +ATOM 9492 HB2 LEU B 75 189.600 208.294 210.739 1.00 58.48 H +ATOM 9493 HB3 LEU B 75 189.432 209.727 210.091 1.00 58.48 H +ATOM 9494 HG LEU B 75 191.221 207.723 209.362 1.00 94.21 H +ATOM 9495 HD11 LEU B 75 190.555 208.311 207.206 1.00 72.25 H +ATOM 9496 HD12 LEU B 75 189.295 207.971 208.112 1.00 72.25 H +ATOM 9497 HD13 LEU B 75 189.669 209.485 207.807 1.00 72.25 H +ATOM 9498 HD21 LEU B 75 192.613 209.184 208.198 1.00 80.62 H +ATOM 9499 HD22 LEU B 75 191.832 210.423 208.814 1.00 80.62 H +ATOM 9500 HD23 LEU B 75 192.695 209.479 209.757 1.00 80.62 H +ATOM 9501 N THR B 76 189.633 209.367 213.655 1.00 40.69 N +ATOM 9502 CA THR B 76 188.827 209.785 214.789 1.00 49.30 C +ATOM 9503 C THR B 76 189.539 210.928 215.508 1.00 52.92 C +ATOM 9504 O THR B 76 188.918 211.928 215.863 1.00 40.70 O +ATOM 9505 CB THR B 76 188.572 208.622 215.762 1.00 44.43 C +ATOM 9506 OG1 THR B 76 188.059 207.499 215.037 1.00 47.48 O +ATOM 9507 CG2 THR B 76 187.580 209.021 216.838 1.00 42.41 C +ATOM 9508 H THR B 76 189.932 208.562 213.710 1.00 48.83 H +ATOM 9509 HA THR B 76 187.971 210.111 214.471 1.00 59.16 H +ATOM 9510 HB THR B 76 189.406 208.373 216.191 1.00 53.31 H +ATOM 9511 HG1 THR B 76 187.917 206.859 215.562 1.00 56.97 H +ATOM 9512 HG21 THR B 76 187.430 208.278 217.443 1.00 50.89 H +ATOM 9513 HG22 THR B 76 187.924 209.774 217.343 1.00 50.89 H +ATOM 9514 HG23 THR B 76 186.736 209.273 216.432 1.00 50.89 H +ATOM 9515 N ARG B 77 190.849 210.783 215.701 1.00 56.02 N +ATOM 9516 CA ARG B 77 191.653 211.817 216.352 1.00 51.57 C +ATOM 9517 C ARG B 77 191.600 213.134 215.591 1.00 41.12 C +ATOM 9518 O ARG B 77 191.515 214.202 216.194 1.00 47.77 O +ATOM 9519 CB ARG B 77 193.109 211.375 216.484 1.00 46.39 C +ATOM 9520 CG ARG B 77 193.333 210.212 217.424 1.00 56.30 C +ATOM 9521 CD ARG B 77 194.813 209.961 217.616 1.00 63.68 C +ATOM 9522 NE ARG B 77 195.453 211.038 218.363 1.00 67.19 N +ATOM 9523 CZ ARG B 77 196.768 211.189 218.483 1.00 68.15 C +ATOM 9524 NH1 ARG B 77 197.257 212.200 219.186 1.00 56.17 N +ATOM 9525 NH2 ARG B 77 197.595 210.333 217.896 1.00 55.41 N +ATOM 9526 H ARG B 77 191.299 210.090 215.462 1.00 67.22 H +ATOM 9527 HA ARG B 77 191.304 211.972 217.243 1.00 61.88 H +ATOM 9528 HB2 ARG B 77 193.434 211.112 215.609 1.00 55.67 H +ATOM 9529 HB3 ARG B 77 193.631 212.123 216.815 1.00 55.67 H +ATOM 9530 HG2 ARG B 77 192.941 210.414 218.288 1.00 67.56 H +ATOM 9531 HG3 ARG B 77 192.931 209.412 217.049 1.00 67.56 H +ATOM 9532 HD2 ARG B 77 194.936 209.135 218.110 1.00 76.41 H +ATOM 9533 HD3 ARG B 77 195.241 209.898 216.747 1.00 76.41 H +ATOM 9534 HE ARG B 77 194.946 211.613 218.752 1.00 80.63 H +ATOM 9535 HH11 ARG B 77 196.723 212.757 219.566 1.00 67.40 H +ATOM 9536 HH12 ARG B 77 198.108 212.300 219.262 1.00 67.40 H +ATOM 9537 HH21 ARG B 77 197.280 209.675 217.440 1.00 66.49 H +ATOM 9538 HH22 ARG B 77 198.445 210.434 217.975 1.00 66.49 H +ATOM 9539 N ILE B 78 191.664 213.052 214.266 1.00 43.91 N +ATOM 9540 CA ILE B 78 191.570 214.238 213.426 1.00 44.02 C +ATOM 9541 C ILE B 78 190.182 214.855 213.543 1.00 47.40 C +ATOM 9542 O ILE B 78 190.051 216.070 213.675 1.00 48.51 O +ATOM 9543 CB ILE B 78 191.872 213.914 211.952 1.00 47.21 C +ATOM 9544 CG1 ILE B 78 193.307 213.397 211.818 1.00 61.97 C +ATOM 9545 CG2 ILE B 78 191.666 215.153 211.074 1.00 49.40 C +ATOM 9546 CD1 ILE B 78 193.690 212.963 210.419 1.00 61.26 C +ATOM 9547 H ILE B 78 191.762 212.319 213.829 1.00 52.69 H +ATOM 9548 HA ILE B 78 192.218 214.894 213.729 1.00 52.82 H +ATOM 9549 HB ILE B 78 191.263 213.220 211.656 1.00 56.65 H +ATOM 9550 HG12 ILE B 78 193.917 214.102 212.084 1.00 74.36 H +ATOM 9551 HG13 ILE B 78 193.417 212.632 212.403 1.00 74.36 H +ATOM 9552 HG21 ILE B 78 191.862 214.922 210.152 1.00 59.28 H +ATOM 9553 HG22 ILE B 78 190.745 215.447 211.153 1.00 59.28 H +ATOM 9554 HG23 ILE B 78 192.265 215.855 211.374 1.00 59.28 H +ATOM 9555 HD11 ILE B 78 194.609 212.652 210.426 1.00 73.51 H +ATOM 9556 HD12 ILE B 78 193.100 212.246 210.138 1.00 73.51 H +ATOM 9557 HD13 ILE B 78 193.600 213.720 209.819 1.00 73.51 H +ATOM 9558 N LYS B 79 189.154 214.014 213.487 1.00 45.95 N +ATOM 9559 CA LYS B 79 187.781 214.479 213.640 1.00 44.82 C +ATOM 9560 C LYS B 79 187.599 215.216 214.960 1.00 49.39 C +ATOM 9561 O LYS B 79 187.042 216.313 214.999 1.00 46.20 O +ATOM 9562 CB LYS B 79 186.799 213.309 213.565 1.00 52.27 C +ATOM 9563 CG LYS B 79 186.413 212.900 212.150 1.00 59.45 C +ATOM 9564 CD LYS B 79 185.304 211.852 212.144 1.00 68.89 C +ATOM 9565 CE LYS B 79 183.983 212.416 212.662 1.00110.17 C +ATOM 9566 NZ LYS B 79 182.877 211.421 212.612 1.00 78.01 N +ATOM 9567 H LYS B 79 189.226 213.167 213.361 1.00 55.14 H +ATOM 9568 HA LYS B 79 187.573 215.095 212.920 1.00 53.78 H +ATOM 9569 HB2 LYS B 79 187.201 212.538 213.995 1.00 62.72 H +ATOM 9570 HB3 LYS B 79 185.985 213.557 214.032 1.00 62.72 H +ATOM 9571 HG2 LYS B 79 186.096 213.680 211.668 1.00 71.34 H +ATOM 9572 HG3 LYS B 79 187.188 212.523 211.704 1.00 71.34 H +ATOM 9573 HD2 LYS B 79 185.165 211.541 211.235 1.00 82.67 H +ATOM 9574 HD3 LYS B 79 185.562 211.112 212.715 1.00 82.67 H +ATOM 9575 HE2 LYS B 79 184.097 212.692 213.584 1.00132.20 H +ATOM 9576 HE3 LYS B 79 183.728 213.176 212.116 1.00132.20 H +ATOM 9577 HZ1 LYS B 79 182.127 211.785 212.921 1.00 93.61 H +ATOM 9578 HZ2 LYS B 79 182.746 211.154 211.773 1.00 93.61 H +ATOM 9579 HZ3 LYS B 79 183.082 210.713 213.112 1.00 93.61 H +ATOM 9580 N LEU B 80 188.075 214.609 216.041 1.00 45.39 N +ATOM 9581 CA LEU B 80 187.912 215.179 217.371 1.00 55.43 C +ATOM 9582 C LEU B 80 188.691 216.478 217.518 1.00 56.50 C +ATOM 9583 O LEU B 80 188.231 217.411 218.175 1.00 61.62 O +ATOM 9584 CB LEU B 80 188.351 214.177 218.441 1.00 53.16 C +ATOM 9585 CG LEU B 80 187.496 212.912 218.568 1.00 47.98 C +ATOM 9586 CD1 LEU B 80 188.065 211.990 219.631 1.00 52.83 C +ATOM 9587 CD2 LEU B 80 186.049 213.254 218.879 1.00 86.47 C +ATOM 9588 H LEU B 80 188.498 213.860 216.030 1.00 54.47 H +ATOM 9589 HA LEU B 80 186.973 215.377 217.515 1.00 66.52 H +ATOM 9590 HB2 LEU B 80 189.257 213.894 218.240 1.00 63.79 H +ATOM 9591 HB3 LEU B 80 188.337 214.624 219.301 1.00 63.79 H +ATOM 9592 HG LEU B 80 187.513 212.436 217.723 1.00 57.57 H +ATOM 9593 HD11 LEU B 80 187.508 211.198 219.693 1.00 63.40 H +ATOM 9594 HD12 LEU B 80 188.968 211.740 219.381 1.00 63.40 H +ATOM 9595 HD13 LEU B 80 188.074 212.456 220.482 1.00 63.40 H +ATOM 9596 HD21 LEU B 80 185.540 212.432 218.952 1.00103.76 H +ATOM 9597 HD22 LEU B 80 186.014 213.742 219.716 1.00103.76 H +ATOM 9598 HD23 LEU B 80 185.694 213.801 218.161 1.00103.76 H +ATOM 9599 N PHE B 81 189.866 216.541 216.904 1.00 49.29 N +ATOM 9600 CA PHE B 81 190.689 217.741 216.980 1.00 61.07 C +ATOM 9601 C PHE B 81 190.023 218.915 216.269 1.00 50.65 C +ATOM 9602 O PHE B 81 190.116 220.054 216.720 1.00 47.47 O +ATOM 9603 CB PHE B 81 192.074 217.487 216.380 1.00 67.79 C +ATOM 9604 CG PHE B 81 192.950 218.709 216.346 1.00 68.55 C +ATOM 9605 CD1 PHE B 81 193.417 219.275 217.520 1.00 58.46 C +ATOM 9606 CD2 PHE B 81 193.302 219.293 215.141 1.00 62.31 C +ATOM 9607 CE1 PHE B 81 194.216 220.400 217.493 1.00 80.64 C +ATOM 9608 CE2 PHE B 81 194.103 220.419 215.110 1.00 70.47 C +ATOM 9609 CZ PHE B 81 194.560 220.971 216.288 1.00 84.71 C +ATOM 9610 H PHE B 81 190.210 215.905 216.439 1.00 59.14 H +ATOM 9611 HA PHE B 81 190.806 217.984 217.911 1.00 73.29 H +ATOM 9612 HB2 PHE B 81 192.526 216.812 216.912 1.00 81.35 H +ATOM 9613 HB3 PHE B 81 191.968 217.171 215.469 1.00 81.35 H +ATOM 9614 HD1 PHE B 81 193.187 218.894 218.337 1.00 70.15 H +ATOM 9615 HD2 PHE B 81 192.995 218.925 214.344 1.00 74.77 H +ATOM 9616 HE1 PHE B 81 194.524 220.771 218.288 1.00 96.77 H +ATOM 9617 HE2 PHE B 81 194.334 220.803 214.296 1.00 84.56 H +ATOM 9618 HZ PHE B 81 195.100 221.728 216.269 1.00101.65 H +ATOM 9619 N LEU B 82 189.346 218.633 215.161 1.00 46.63 N +ATOM 9620 CA LEU B 82 188.741 219.681 214.342 1.00 51.09 C +ATOM 9621 C LEU B 82 187.338 220.072 214.800 1.00 53.77 C +ATOM 9622 O LEU B 82 186.895 221.192 214.548 1.00 55.92 O +ATOM 9623 CB LEU B 82 188.686 219.241 212.876 1.00 46.50 C +ATOM 9624 CG LEU B 82 190.024 219.004 212.165 1.00 51.79 C +ATOM 9625 CD1 LEU B 82 189.781 218.668 210.704 1.00 50.09 C +ATOM 9626 CD2 LEU B 82 190.946 220.206 212.288 1.00 54.03 C +ATOM 9627 H LEU B 82 189.221 217.838 214.859 1.00 55.96 H +ATOM 9628 HA LEU B 82 189.298 220.474 214.392 1.00 61.31 H +ATOM 9629 HB2 LEU B 82 188.188 218.410 212.830 1.00 55.80 H +ATOM 9630 HB3 LEU B 82 188.214 219.923 212.375 1.00 55.80 H +ATOM 9631 HG LEU B 82 190.467 218.246 212.575 1.00 62.15 H +ATOM 9632 HD11 LEU B 82 190.636 218.521 210.268 1.00 60.10 H +ATOM 9633 HD12 LEU B 82 189.240 217.865 210.650 1.00 60.10 H +ATOM 9634 HD13 LEU B 82 189.318 219.408 210.282 1.00 60.10 H +ATOM 9635 HD21 LEU B 82 191.777 220.015 211.825 1.00 64.83 H +ATOM 9636 HD22 LEU B 82 190.514 220.977 211.887 1.00 64.83 H +ATOM 9637 HD23 LEU B 82 191.120 220.375 213.227 1.00 64.83 H +ATOM 9638 N LYS B 83 186.642 219.159 215.467 1.00 53.05 N +ATOM 9639 CA LYS B 83 185.248 219.390 215.837 1.00 43.33 C +ATOM 9640 C LYS B 83 185.097 220.499 216.883 1.00 43.11 C +ATOM 9641 O LYS B 83 185.599 220.371 217.997 1.00 42.30 O +ATOM 9642 CB LYS B 83 184.616 218.103 216.367 1.00 54.55 C +ATOM 9643 CG LYS B 83 183.712 217.411 215.357 1.00 76.75 C +ATOM 9644 CD LYS B 83 183.171 216.092 215.888 1.00 95.68 C +ATOM 9645 CE LYS B 83 182.300 215.397 214.853 1.00107.80 C +ATOM 9646 NZ LYS B 83 181.935 214.010 215.254 1.00110.25 N +ATOM 9647 H LYS B 83 186.952 218.397 215.717 1.00 63.65 H +ATOM 9648 HA LYS B 83 184.756 219.660 215.046 1.00 51.99 H +ATOM 9649 HB2 LYS B 83 185.321 217.483 216.609 1.00 65.47 H +ATOM 9650 HB3 LYS B 83 184.081 218.315 217.148 1.00 65.47 H +ATOM 9651 HG2 LYS B 83 182.959 217.987 215.155 1.00 92.10 H +ATOM 9652 HG3 LYS B 83 184.219 217.227 214.550 1.00 92.10 H +ATOM 9653 HD2 LYS B 83 183.912 215.505 216.106 1.00114.82 H +ATOM 9654 HD3 LYS B 83 182.631 216.261 216.676 1.00114.82 H +ATOM 9655 HE2 LYS B 83 181.481 215.902 214.737 1.00129.36 H +ATOM 9656 HE3 LYS B 83 182.783 215.349 214.013 1.00129.36 H +ATOM 9657 HZ1 LYS B 83 181.427 213.636 214.626 1.00132.30 H +ATOM 9658 HZ2 LYS B 83 182.671 213.521 215.361 1.00132.30 H +ATOM 9659 HZ3 LYS B 83 181.483 214.025 216.021 1.00132.30 H +ATOM 9660 N PRO B 84 184.400 221.597 216.531 1.00 40.59 N +ATOM 9661 CA PRO B 84 184.106 222.619 217.542 1.00 38.31 C +ATOM 9662 C PRO B 84 183.080 222.128 218.556 1.00 36.82 C +ATOM 9663 O PRO B 84 182.285 221.247 218.236 1.00 36.12 O +ATOM 9664 CB PRO B 84 183.551 223.779 216.714 1.00 38.99 C +ATOM 9665 CG PRO B 84 182.984 223.131 215.507 1.00 40.02 C +ATOM 9666 CD PRO B 84 183.876 221.974 215.207 1.00 33.70 C +ATOM 9667 HA PRO B 84 184.915 222.898 217.998 1.00 45.97 H +ATOM 9668 HB2 PRO B 84 182.860 224.240 217.215 1.00 46.79 H +ATOM 9669 HB3 PRO B 84 184.269 224.386 216.476 1.00 46.79 H +ATOM 9670 HG2 PRO B 84 182.083 222.827 215.695 1.00 48.03 H +ATOM 9671 HG3 PRO B 84 182.985 223.762 214.770 1.00 48.03 H +ATOM 9672 HD2 PRO B 84 183.365 221.243 214.825 1.00 40.44 H +ATOM 9673 HD3 PRO B 84 184.600 222.247 214.621 1.00 40.44 H +ATOM 9674 N THR B 85 183.102 222.688 219.759 1.00 40.57 N +ATOM 9675 CA THR B 85 182.174 222.271 220.801 1.00 38.25 C +ATOM 9676 C THR B 85 180.769 222.781 220.470 1.00 49.68 C +ATOM 9677 O THR B 85 180.626 223.811 219.819 1.00 49.54 O +ATOM 9678 CB THR B 85 182.630 222.780 222.194 1.00 48.43 C +ATOM 9679 OG1 THR B 85 181.961 222.043 223.223 1.00 86.12 O +ATOM 9680 CG2 THR B 85 182.345 224.265 222.371 1.00 49.97 C +ATOM 9681 H THR B 85 183.644 223.312 219.997 1.00 48.69 H +ATOM 9682 HA THR B 85 182.143 221.302 220.830 1.00 45.91 H +ATOM 9683 HB THR B 85 183.586 222.646 222.282 1.00 58.12 H +ATOM 9684 HG1 THR B 85 181.130 222.142 223.153 1.00103.35 H +ATOM 9685 HG21 THR B 85 182.639 224.557 223.248 1.00 59.97 H +ATOM 9686 HG22 THR B 85 182.817 224.776 221.694 1.00 59.97 H +ATOM 9687 HG23 THR B 85 181.394 224.433 222.285 1.00 59.97 H +ATOM 9688 N PRO B 86 179.721 222.053 220.897 1.00 55.28 N +ATOM 9689 CA PRO B 86 178.356 222.508 220.598 1.00 54.25 C +ATOM 9690 C PRO B 86 178.045 223.920 221.099 1.00 37.58 C +ATOM 9691 O PRO B 86 177.270 224.630 220.462 1.00 35.40 O +ATOM 9692 CB PRO B 86 177.484 221.473 221.312 1.00 44.37 C +ATOM 9693 CG PRO B 86 178.317 220.245 221.335 1.00 51.31 C +ATOM 9694 CD PRO B 86 179.726 220.715 221.518 1.00 48.64 C +ATOM 9695 HA PRO B 86 178.189 222.463 219.643 1.00 65.10 H +ATOM 9696 HB2 PRO B 86 177.287 221.774 222.213 1.00 53.24 H +ATOM 9697 HB3 PRO B 86 176.667 221.328 220.809 1.00 53.24 H +ATOM 9698 HG2 PRO B 86 178.046 219.682 222.076 1.00 61.58 H +ATOM 9699 HG3 PRO B 86 178.222 219.772 220.493 1.00 61.58 H +ATOM 9700 HD2 PRO B 86 179.940 220.781 222.462 1.00 58.36 H +ATOM 9701 HD3 PRO B 86 180.342 220.128 221.053 1.00 58.36 H +ATOM 9702 N ASN B 87 178.637 224.324 222.216 1.00 42.53 N +ATOM 9703 CA ASN B 87 178.432 225.673 222.728 1.00 49.66 C +ATOM 9704 C ASN B 87 179.050 226.729 221.813 1.00 44.64 C +ATOM 9705 O ASN B 87 178.607 227.877 221.794 1.00 43.50 O +ATOM 9706 CB ASN B 87 179.009 225.807 224.138 1.00 41.96 C +ATOM 9707 CG ASN B 87 178.193 225.058 225.181 1.00 50.10 C +ATOM 9708 OD1 ASN B 87 177.011 224.771 224.980 1.00 46.33 O +ATOM 9709 ND2 ASN B 87 178.823 224.747 226.307 1.00 61.45 N +ATOM 9710 H ASN B 87 179.161 223.838 222.695 1.00 51.04 H +ATOM 9711 HA ASN B 87 177.479 225.847 222.780 1.00 59.60 H +ATOM 9712 HB2 ASN B 87 179.910 225.447 224.147 1.00 50.36 H +ATOM 9713 HB3 ASN B 87 179.024 226.745 224.386 1.00 50.36 H +ATOM 9714 HD21 ASN B 87 178.407 224.323 226.929 1.00 73.74 H +ATOM 9715 HD22 ASN B 87 179.647 224.968 226.415 1.00 73.74 H +ATOM 9716 N THR B 88 180.069 226.331 221.058 1.00 44.07 N +ATOM 9717 CA THR B 88 180.723 227.221 220.104 1.00 46.42 C +ATOM 9718 C THR B 88 179.849 227.353 218.870 1.00 42.23 C +ATOM 9719 O THR B 88 179.610 228.456 218.380 1.00 48.00 O +ATOM 9720 CB THR B 88 182.130 226.700 219.713 1.00 43.24 C +ATOM 9721 OG1 THR B 88 183.055 227.007 220.761 1.00 45.07 O +ATOM 9722 CG2 THR B 88 182.632 227.335 218.415 1.00 36.23 C +ATOM 9723 H THR B 88 180.405 225.539 221.080 1.00 52.89 H +ATOM 9724 HA THR B 88 180.823 228.099 220.503 1.00 55.70 H +ATOM 9725 HB THR B 88 182.093 225.739 219.588 1.00 51.88 H +ATOM 9726 HG1 THR B 88 183.821 226.729 220.558 1.00 54.08 H +ATOM 9727 HG21 THR B 88 183.512 226.990 218.197 1.00 43.47 H +ATOM 9728 HG22 THR B 88 182.024 227.129 217.688 1.00 43.47 H +ATOM 9729 HG23 THR B 88 182.687 228.298 218.517 1.00 43.47 H +ATOM 9730 N VAL B 89 179.377 226.214 218.373 1.00 41.55 N +ATOM 9731 CA VAL B 89 178.468 226.185 217.236 1.00 38.85 C +ATOM 9732 C VAL B 89 177.214 226.991 217.550 1.00 42.49 C +ATOM 9733 O VAL B 89 176.712 227.729 216.704 1.00 45.55 O +ATOM 9734 CB VAL B 89 178.078 224.740 216.865 1.00 37.01 C +ATOM 9735 CG1 VAL B 89 177.074 224.722 215.726 1.00 32.52 C +ATOM 9736 CG2 VAL B 89 179.316 223.943 216.490 1.00 39.42 C +ATOM 9737 H VAL B 89 179.571 225.436 218.682 1.00 49.86 H +ATOM 9738 HA VAL B 89 178.903 226.589 216.468 1.00 46.61 H +ATOM 9739 HB VAL B 89 177.669 224.314 217.634 1.00 44.42 H +ATOM 9740 HG11 VAL B 89 176.850 223.801 215.517 1.00 39.02 H +ATOM 9741 HG12 VAL B 89 176.277 225.202 216.000 1.00 39.02 H +ATOM 9742 HG13 VAL B 89 177.468 225.150 214.950 1.00 39.02 H +ATOM 9743 HG21 VAL B 89 179.051 223.039 216.260 1.00 47.31 H +ATOM 9744 HG22 VAL B 89 179.744 224.366 215.729 1.00 47.31 H +ATOM 9745 HG23 VAL B 89 179.923 223.928 217.246 1.00 47.31 H +ATOM 9746 N HIS B 90 176.717 226.843 218.773 1.00 37.52 N +ATOM 9747 CA HIS B 90 175.533 227.570 219.218 1.00 46.13 C +ATOM 9748 C HIS B 90 175.783 229.072 219.229 1.00 45.50 C +ATOM 9749 O HIS B 90 174.936 229.850 218.793 1.00 37.90 O +ATOM 9750 CB HIS B 90 175.107 227.104 220.610 1.00 54.00 C +ATOM 9751 CG HIS B 90 173.947 227.867 221.172 1.00 48.15 C +ATOM 9752 ND1 HIS B 90 172.637 227.499 220.950 1.00 41.46 N +ATOM 9753 CD2 HIS B 90 173.900 228.981 221.940 1.00 44.32 C +ATOM 9754 CE1 HIS B 90 171.834 228.351 221.560 1.00 48.37 C +ATOM 9755 NE2 HIS B 90 172.575 229.260 222.168 1.00 38.37 N +ATOM 9756 H HIS B 90 177.050 226.322 219.371 1.00 45.02 H +ATOM 9757 HA HIS B 90 174.803 227.391 218.604 1.00 55.36 H +ATOM 9758 HB2 HIS B 90 174.853 226.169 220.563 1.00 64.80 H +ATOM 9759 HB3 HIS B 90 175.855 227.212 221.218 1.00 64.80 H +ATOM 9760 HD1 HIS B 90 172.383 226.819 220.488 1.00 49.75 H +ATOM 9761 HD2 HIS B 90 174.628 229.465 222.255 1.00 53.18 H +ATOM 9762 HE1 HIS B 90 170.905 228.317 221.562 1.00 58.05 H +ATOM 9763 N TYR B 91 176.946 229.475 219.733 1.00 44.31 N +ATOM 9764 CA TYR B 91 177.317 230.883 219.764 1.00 45.21 C +ATOM 9765 C TYR B 91 177.306 231.464 218.359 1.00 41.57 C +ATOM 9766 O TYR B 91 176.744 232.531 218.119 1.00 42.04 O +ATOM 9767 CB TYR B 91 178.703 231.070 220.386 1.00 44.59 C +ATOM 9768 CG TYR B 91 179.129 232.519 220.469 1.00 47.68 C +ATOM 9769 CD1 TYR B 91 179.773 233.139 219.405 1.00 44.35 C +ATOM 9770 CD2 TYR B 91 178.881 233.268 221.609 1.00 53.38 C +ATOM 9771 CE1 TYR B 91 180.159 234.463 219.478 1.00 43.00 C +ATOM 9772 CE2 TYR B 91 179.264 234.591 221.690 1.00 53.77 C +ATOM 9773 CZ TYR B 91 179.901 235.183 220.623 1.00 48.43 C +ATOM 9774 OH TYR B 91 180.279 236.502 220.707 1.00 55.71 O +ATOM 9775 H TYR B 91 177.540 228.948 220.065 1.00 53.17 H +ATOM 9776 HA TYR B 91 176.674 231.372 220.301 1.00 54.25 H +ATOM 9777 HB2 TYR B 91 178.694 230.710 221.287 1.00 53.51 H +ATOM 9778 HB3 TYR B 91 179.356 230.597 219.847 1.00 53.51 H +ATOM 9779 HD1 TYR B 91 179.947 232.654 218.631 1.00 53.22 H +ATOM 9780 HD2 TYR B 91 178.450 232.872 222.332 1.00 64.06 H +ATOM 9781 HE1 TYR B 91 180.589 234.865 218.759 1.00 51.60 H +ATOM 9782 HE2 TYR B 91 179.091 235.081 222.462 1.00 64.53 H +ATOM 9783 HH TYR B 91 180.061 236.816 221.455 1.00 66.85 H +ATOM 9784 N ILE B 92 177.936 230.748 217.437 1.00 38.96 N +ATOM 9785 CA ILE B 92 178.079 231.200 216.061 1.00 45.83 C +ATOM 9786 C ILE B 92 176.728 231.296 215.356 1.00 43.39 C +ATOM 9787 O ILE B 92 176.484 232.232 214.596 1.00 40.42 O +ATOM 9788 CB ILE B 92 179.022 230.259 215.283 1.00 41.42 C +ATOM 9789 CG1 ILE B 92 180.455 230.441 215.792 1.00 43.53 C +ATOM 9790 CG2 ILE B 92 178.969 230.530 213.781 1.00 41.26 C +ATOM 9791 CD1 ILE B 92 181.358 229.260 215.546 1.00 39.22 C +ATOM 9792 H ILE B 92 178.296 229.981 217.588 1.00 46.75 H +ATOM 9793 HA ILE B 92 178.477 232.085 216.062 1.00 54.99 H +ATOM 9794 HB ILE B 92 178.749 229.342 215.444 1.00 49.71 H +ATOM 9795 HG12 ILE B 92 180.846 231.209 215.348 1.00 52.23 H +ATOM 9796 HG13 ILE B 92 180.427 230.597 216.749 1.00 52.23 H +ATOM 9797 HG21 ILE B 92 179.573 229.921 213.329 1.00 49.51 H +ATOM 9798 HG22 ILE B 92 178.062 230.391 213.467 1.00 49.51 H +ATOM 9799 HG23 ILE B 92 179.240 231.447 213.616 1.00 49.51 H +ATOM 9800 HD11 ILE B 92 182.240 229.459 215.898 1.00 47.07 H +ATOM 9801 HD12 ILE B 92 180.991 228.482 215.995 1.00 47.07 H +ATOM 9802 HD13 ILE B 92 181.411 229.096 214.592 1.00 47.07 H +ATOM 9803 N LEU B 93 175.854 230.330 215.616 1.00 41.80 N +ATOM 9804 CA LEU B 93 174.536 230.302 214.988 1.00 37.25 C +ATOM 9805 C LEU B 93 173.597 231.364 215.557 1.00 40.68 C +ATOM 9806 O LEU B 93 172.619 231.736 214.911 1.00 34.58 O +ATOM 9807 CB LEU B 93 173.906 228.918 215.149 1.00 38.02 C +ATOM 9808 CG LEU B 93 174.368 227.862 214.145 1.00 42.26 C +ATOM 9809 CD1 LEU B 93 174.113 226.472 214.683 1.00 40.88 C +ATOM 9810 CD2 LEU B 93 173.661 228.054 212.814 1.00 42.01 C +ATOM 9811 H LEU B 93 175.999 229.676 216.155 1.00 50.16 H +ATOM 9812 HA LEU B 93 174.639 230.473 214.039 1.00 44.70 H +ATOM 9813 HB2 LEU B 93 174.116 228.587 216.036 1.00 45.63 H +ATOM 9814 HB3 LEU B 93 172.945 229.006 215.056 1.00 45.63 H +ATOM 9815 HG LEU B 93 175.322 227.959 213.997 1.00 50.71 H +ATOM 9816 HD11 LEU B 93 174.413 225.820 214.030 1.00 49.05 H +ATOM 9817 HD12 LEU B 93 174.603 226.360 215.513 1.00 49.05 H +ATOM 9818 HD13 LEU B 93 173.162 226.365 214.844 1.00 49.05 H +ATOM 9819 HD21 LEU B 93 173.969 227.376 212.193 1.00 50.41 H +ATOM 9820 HD22 LEU B 93 172.704 227.970 212.950 1.00 50.41 H +ATOM 9821 HD23 LEU B 93 173.870 228.937 212.470 1.00 50.41 H +ATOM 9822 N THR B 94 173.900 231.855 216.756 1.00 39.59 N +ATOM 9823 CA THR B 94 173.039 232.824 217.434 1.00 36.57 C +ATOM 9824 C THR B 94 173.650 234.226 217.475 1.00 39.50 C +ATOM 9825 O THR B 94 173.108 235.123 218.118 1.00 38.18 O +ATOM 9826 CB THR B 94 172.725 232.381 218.872 1.00 34.92 C +ATOM 9827 OG1 THR B 94 173.936 232.320 219.638 1.00 37.68 O +ATOM 9828 CG2 THR B 94 172.046 231.016 218.873 1.00 37.61 C +ATOM 9829 H THR B 94 174.603 231.641 217.203 1.00 47.51 H +ATOM 9830 HA THR B 94 172.199 232.883 216.953 1.00 43.88 H +ATOM 9831 HB THR B 94 172.121 233.021 219.279 1.00 41.90 H +ATOM 9832 HG1 THR B 94 174.468 231.770 219.291 1.00 45.21 H +ATOM 9833 HG21 THR B 94 171.851 230.743 219.783 1.00 45.14 H +ATOM 9834 HG22 THR B 94 171.216 231.059 218.373 1.00 45.14 H +ATOM 9835 HG23 THR B 94 172.627 230.356 218.464 1.00 45.14 H +ATOM 9836 N HIS B 95 174.778 234.408 216.794 1.00 43.84 N +ATOM 9837 CA HIS B 95 175.393 235.725 216.641 1.00 42.71 C +ATOM 9838 C HIS B 95 175.649 236.006 215.165 1.00 42.99 C +ATOM 9839 O HIS B 95 175.344 235.178 214.309 1.00 39.36 O +ATOM 9840 CB HIS B 95 176.702 235.816 217.429 1.00 39.54 C +ATOM 9841 CG HIS B 95 176.519 235.820 218.915 1.00 43.02 C +ATOM 9842 ND1 HIS B 95 176.052 234.728 219.614 1.00 52.72 N +ATOM 9843 CD2 HIS B 95 176.747 236.786 219.836 1.00 47.35 C +ATOM 9844 CE1 HIS B 95 175.997 235.022 220.901 1.00 54.35 C +ATOM 9845 NE2 HIS B 95 176.413 236.264 221.063 1.00 49.86 N +ATOM 9846 H HIS B 95 175.212 233.776 216.405 1.00 52.61 H +ATOM 9847 HA HIS B 95 174.787 236.403 216.979 1.00 51.25 H +ATOM 9848 HB2 HIS B 95 177.257 235.053 217.202 1.00 47.45 H +ATOM 9849 HB3 HIS B 95 177.157 236.637 217.185 1.00 47.45 H +ATOM 9850 HD1 HIS B 95 175.829 233.973 219.266 1.00 63.26 H +ATOM 9851 HD2 HIS B 95 177.067 237.642 219.670 1.00 56.83 H +ATOM 9852 HE1 HIS B 95 175.713 234.450 221.578 1.00 65.22 H +ATOM 9853 N PHE B 96 176.202 237.179 214.876 1.00 41.52 N +ATOM 9854 CA PHE B 96 176.593 237.539 213.516 1.00 38.52 C +ATOM 9855 C PHE B 96 175.396 237.517 212.567 1.00 40.21 C +ATOM 9856 O PHE B 96 175.423 236.869 211.520 1.00 37.95 O +ATOM 9857 CB PHE B 96 177.690 236.595 213.023 1.00 37.26 C +ATOM 9858 CG PHE B 96 178.756 236.333 214.047 1.00 40.54 C +ATOM 9859 CD1 PHE B 96 179.577 237.356 214.487 1.00 42.17 C +ATOM 9860 CD2 PHE B 96 178.931 235.067 214.576 1.00 44.22 C +ATOM 9861 CE1 PHE B 96 180.554 237.119 215.432 1.00 51.31 C +ATOM 9862 CE2 PHE B 96 179.909 234.826 215.522 1.00 46.45 C +ATOM 9863 CZ PHE B 96 180.720 235.853 215.949 1.00 45.97 C +ATOM 9864 H PHE B 96 176.364 237.791 215.457 1.00 49.82 H +ATOM 9865 HA PHE B 96 176.954 238.440 213.520 1.00 46.22 H +ATOM 9866 HB2 PHE B 96 177.288 235.744 212.787 1.00 44.72 H +ATOM 9867 HB3 PHE B 96 178.115 236.987 212.244 1.00 44.72 H +ATOM 9868 HD1 PHE B 96 179.469 238.213 214.142 1.00 50.60 H +ATOM 9869 HD2 PHE B 96 178.386 234.370 214.291 1.00 53.07 H +ATOM 9870 HE1 PHE B 96 181.101 237.814 215.719 1.00 61.57 H +ATOM 9871 HE2 PHE B 96 180.019 233.970 215.870 1.00 55.74 H +ATOM 9872 HZ PHE B 96 181.379 235.693 216.585 1.00 55.16 H +ATOM 9873 N LYS B 97 174.350 238.239 212.951 1.00 40.00 N +ATOM 9874 CA LYS B 97 173.102 238.287 212.199 1.00 41.58 C +ATOM 9875 C LYS B 97 173.310 238.712 210.746 1.00 52.07 C +ATOM 9876 O LYS B 97 172.723 238.134 209.831 1.00 46.40 O +ATOM 9877 CB LYS B 97 172.131 239.252 212.877 1.00 54.69 C +ATOM 9878 CG LYS B 97 170.666 238.880 212.749 1.00 70.50 C +ATOM 9879 CD LYS B 97 169.770 240.109 212.810 1.00 86.76 C +ATOM 9880 CE LYS B 97 170.100 241.028 213.990 1.00 99.65 C +ATOM 9881 NZ LYS B 97 169.354 242.309 213.905 1.00106.51 N +ATOM 9882 H LYS B 97 174.339 238.722 213.663 1.00 48.00 H +ATOM 9883 HA LYS B 97 172.699 237.405 212.199 1.00 49.90 H +ATOM 9884 HB2 LYS B 97 172.342 239.288 213.823 1.00 65.63 H +ATOM 9885 HB3 LYS B 97 172.245 240.132 212.485 1.00 65.63 H +ATOM 9886 HG2 LYS B 97 170.521 238.440 211.897 1.00 84.60 H +ATOM 9887 HG3 LYS B 97 170.421 238.289 213.478 1.00 84.60 H +ATOM 9888 HD2 LYS B 97 169.878 240.620 211.993 1.00104.11 H +ATOM 9889 HD3 LYS B 97 168.848 239.822 212.903 1.00104.11 H +ATOM 9890 HE2 LYS B 97 169.854 240.587 214.819 1.00119.58 H +ATOM 9891 HE3 LYS B 97 171.049 241.227 213.985 1.00119.58 H +ATOM 9892 HZ1 LYS B 97 169.560 242.827 214.599 1.00127.81 H +ATOM 9893 HZ2 LYS B 97 169.566 242.735 213.153 1.00127.81 H +ATOM 9894 HZ3 LYS B 97 168.478 242.152 213.912 1.00127.81 H +ATOM 9895 N GLY B 98 174.138 239.733 210.544 1.00 51.08 N +ATOM 9896 CA GLY B 98 174.394 240.259 209.214 1.00 42.45 C +ATOM 9897 C GLY B 98 174.999 239.219 208.294 1.00 47.84 C +ATOM 9898 O GLY B 98 174.685 239.165 207.105 1.00 48.47 O +ATOM 9899 H GLY B 98 174.566 240.140 211.169 1.00 61.29 H +ATOM 9900 HA2 GLY B 98 173.563 240.570 208.823 1.00 50.94 H +ATOM 9901 HA3 GLY B 98 175.006 241.010 209.276 1.00 50.94 H +ATOM 9902 N PHE B 99 175.874 238.390 208.852 1.00 40.36 N +ATOM 9903 CA PHE B 99 176.505 237.313 208.102 1.00 45.45 C +ATOM 9904 C PHE B 99 175.475 236.273 207.666 1.00 46.38 C +ATOM 9905 O PHE B 99 175.488 235.815 206.524 1.00 47.12 O +ATOM 9906 CB PHE B 99 177.604 236.662 208.947 1.00 41.66 C +ATOM 9907 CG PHE B 99 178.056 235.324 208.439 1.00 40.20 C +ATOM 9908 CD1 PHE B 99 178.858 235.227 207.316 1.00 41.60 C +ATOM 9909 CD2 PHE B 99 177.692 234.164 209.098 1.00 45.42 C +ATOM 9910 CE1 PHE B 99 179.277 233.995 206.854 1.00 42.00 C +ATOM 9911 CE2 PHE B 99 178.109 232.931 208.640 1.00 39.05 C +ATOM 9912 CZ PHE B 99 178.903 232.848 207.517 1.00 44.43 C +ATOM 9913 H PHE B 99 176.121 238.431 209.675 1.00 48.44 H +ATOM 9914 HA PHE B 99 176.917 237.681 207.305 1.00 54.54 H +ATOM 9915 HB2 PHE B 99 178.376 237.249 208.960 1.00 49.99 H +ATOM 9916 HB3 PHE B 99 177.271 236.538 209.849 1.00 49.99 H +ATOM 9917 HD1 PHE B 99 179.112 235.999 206.864 1.00 49.92 H +ATOM 9918 HD2 PHE B 99 177.156 234.214 209.856 1.00 54.50 H +ATOM 9919 HE1 PHE B 99 179.813 233.941 206.096 1.00 50.40 H +ATOM 9920 HE2 PHE B 99 177.856 232.158 209.089 1.00 46.86 H +ATOM 9921 HZ PHE B 99 179.185 232.018 207.207 1.00 53.32 H +ATOM 9922 N TRP B 100 174.574 235.915 208.573 1.00 45.41 N +ATOM 9923 CA TRP B 100 173.563 234.907 208.277 1.00 45.51 C +ATOM 9924 C TRP B 100 172.511 235.422 207.298 1.00 42.80 C +ATOM 9925 O TRP B 100 171.946 234.645 206.532 1.00 37.77 O +ATOM 9926 CB TRP B 100 172.894 234.433 209.567 1.00 45.10 C +ATOM 9927 CG TRP B 100 173.805 233.607 210.422 1.00 36.32 C +ATOM 9928 CD1 TRP B 100 174.282 233.925 211.658 1.00 38.18 C +ATOM 9929 CD2 TRP B 100 174.363 232.331 210.093 1.00 27.69 C +ATOM 9930 NE1 TRP B 100 175.096 232.922 212.124 1.00 38.23 N +ATOM 9931 CE2 TRP B 100 175.162 231.931 211.180 1.00 34.78 C +ATOM 9932 CE3 TRP B 100 174.260 231.485 208.985 1.00 35.94 C +ATOM 9933 CZ2 TRP B 100 175.856 230.722 211.193 1.00 37.03 C +ATOM 9934 CZ3 TRP B 100 174.947 230.285 209.000 1.00 34.37 C +ATOM 9935 CH2 TRP B 100 175.735 229.916 210.095 1.00 31.27 C +ATOM 9936 H TRP B 100 174.526 236.240 209.368 1.00 54.49 H +ATOM 9937 HA TRP B 100 173.996 234.141 207.870 1.00 54.61 H +ATOM 9938 HB2 TRP B 100 172.619 235.207 210.083 1.00 54.12 H +ATOM 9939 HB3 TRP B 100 172.121 233.892 209.342 1.00 54.12 H +ATOM 9940 HD1 TRP B 100 174.082 234.707 212.120 1.00 45.81 H +ATOM 9941 HE1 TRP B 100 175.499 232.917 212.883 1.00 45.87 H +ATOM 9942 HE3 TRP B 100 173.738 231.723 208.254 1.00 43.12 H +ATOM 9943 HZ2 TRP B 100 176.379 230.473 211.920 1.00 44.44 H +ATOM 9944 HZ3 TRP B 100 174.886 229.715 208.268 1.00 41.24 H +ATOM 9945 HH2 TRP B 100 176.186 229.103 210.077 1.00 37.53 H +ATOM 9946 N ASN B 101 172.253 236.726 207.320 1.00 47.89 N +ATOM 9947 CA ASN B 101 171.351 237.337 206.349 1.00 48.39 C +ATOM 9948 C ASN B 101 171.839 237.094 204.929 1.00 48.69 C +ATOM 9949 O ASN B 101 171.040 236.910 204.011 1.00 58.02 O +ATOM 9950 CB ASN B 101 171.215 238.840 206.599 1.00 54.56 C +ATOM 9951 CG ASN B 101 170.279 239.163 207.752 1.00 66.75 C +ATOM 9952 OD1 ASN B 101 169.324 238.432 208.018 1.00 69.68 O +ATOM 9953 ND2 ASN B 101 170.546 240.270 208.436 1.00 67.24 N +ATOM 9954 H ASN B 101 172.588 237.280 207.887 1.00 57.47 H +ATOM 9955 HA ASN B 101 170.472 236.936 206.438 1.00 58.07 H +ATOM 9956 HB2 ASN B 101 172.088 239.205 206.811 1.00 65.47 H +ATOM 9957 HB3 ASN B 101 170.864 239.263 205.800 1.00 65.47 H +ATOM 9958 HD21 ASN B 101 170.046 240.497 209.098 1.00 80.69 H +ATOM 9959 HD22 ASN B 101 171.219 240.759 208.218 1.00 80.69 H +ATOM 9960 N VAL B 102 173.156 237.091 204.756 1.00 46.09 N +ATOM 9961 CA VAL B 102 173.755 236.833 203.453 1.00 49.88 C +ATOM 9962 C VAL B 102 173.691 235.346 203.130 1.00 47.64 C +ATOM 9963 O VAL B 102 173.224 234.965 202.058 1.00 48.54 O +ATOM 9964 CB VAL B 102 175.217 237.318 203.397 1.00 51.74 C +ATOM 9965 CG1 VAL B 102 175.886 236.894 202.088 1.00 54.71 C +ATOM 9966 CG2 VAL B 102 175.271 238.829 203.556 1.00 53.03 C +ATOM 9967 H VAL B 102 173.728 237.236 205.381 1.00 55.31 H +ATOM 9968 HA VAL B 102 173.253 237.311 202.774 1.00 59.85 H +ATOM 9969 HB VAL B 102 175.711 236.920 204.131 1.00 62.09 H +ATOM 9970 HG11 VAL B 102 176.802 237.213 202.085 1.00 65.65 H +ATOM 9971 HG12 VAL B 102 175.873 235.926 202.027 1.00 65.65 H +ATOM 9972 HG13 VAL B 102 175.398 237.280 201.345 1.00 65.65 H +ATOM 9973 HG21 VAL B 102 176.196 239.117 203.518 1.00 63.63 H +ATOM 9974 HG22 VAL B 102 174.766 239.240 202.836 1.00 63.63 H +ATOM 9975 HG23 VAL B 102 174.883 239.070 204.412 1.00 63.63 H +ATOM 9976 N VAL B 103 174.167 234.517 204.055 1.00 52.24 N +ATOM 9977 CA VAL B 103 174.110 233.065 203.897 1.00 56.06 C +ATOM 9978 C VAL B 103 172.690 232.619 203.571 1.00 50.45 C +ATOM 9979 O VAL B 103 172.479 231.793 202.684 1.00 42.41 O +ATOM 9980 CB VAL B 103 174.589 232.331 205.172 1.00 45.67 C +ATOM 9981 CG1 VAL B 103 174.372 230.819 205.052 1.00 47.67 C +ATOM 9982 CG2 VAL B 103 176.051 232.632 205.439 1.00 46.47 C +ATOM 9983 H VAL B 103 174.532 234.772 204.790 1.00 62.69 H +ATOM 9984 HA VAL B 103 174.686 232.802 203.162 1.00 67.28 H +ATOM 9985 HB VAL B 103 174.074 232.648 205.931 1.00 54.80 H +ATOM 9986 HG11 VAL B 103 174.682 230.390 205.865 1.00 57.20 H +ATOM 9987 HG12 VAL B 103 173.426 230.645 204.926 1.00 57.20 H +ATOM 9988 HG13 VAL B 103 174.874 230.488 204.291 1.00 57.20 H +ATOM 9989 HG21 VAL B 103 176.328 232.162 206.241 1.00 55.76 H +ATOM 9990 HG22 VAL B 103 176.578 232.333 204.682 1.00 55.76 H +ATOM 9991 HG23 VAL B 103 176.158 233.588 205.562 1.00 55.76 H +ATOM 9992 N ASN B 104 171.725 233.174 204.295 1.00 42.69 N +ATOM 9993 CA ASN B 104 170.324 232.805 204.127 1.00 48.36 C +ATOM 9994 C ASN B 104 169.813 233.064 202.714 1.00 49.10 C +ATOM 9995 O ASN B 104 168.911 232.375 202.241 1.00 47.52 O +ATOM 9996 CB ASN B 104 169.452 233.562 205.133 1.00 38.97 C +ATOM 9997 CG ASN B 104 169.553 232.996 206.538 1.00 38.00 C +ATOM 9998 OD1 ASN B 104 169.951 231.848 206.731 1.00 38.41 O +ATOM 9999 ND2 ASN B 104 169.189 233.803 207.527 1.00 36.63 N +ATOM 10000 H ASN B 104 171.857 233.774 204.897 1.00 51.23 H +ATOM 10001 HA ASN B 104 170.229 231.856 204.307 1.00 58.03 H +ATOM 10002 HB2 ASN B 104 169.735 234.489 205.162 1.00 46.76 H +ATOM 10003 HB3 ASN B 104 168.525 233.506 204.853 1.00 46.76 H +ATOM 10004 HD21 ASN B 104 169.228 233.529 208.342 1.00 43.95 H +ATOM 10005 HD22 ASN B 104 168.914 234.599 207.354 1.00 43.95 H +ATOM 10006 N ASN B 105 170.396 234.054 202.045 1.00 52.48 N +ATOM 10007 CA ASN B 105 169.969 234.435 200.701 1.00 47.14 C +ATOM 10008 C ASN B 105 170.843 233.825 199.608 1.00 49.78 C +ATOM 10009 O ASN B 105 170.697 234.159 198.434 1.00 53.28 O +ATOM 10010 CB ASN B 105 169.954 235.958 200.568 1.00 50.41 C +ATOM 10011 CG ASN B 105 168.797 236.596 201.308 1.00 47.68 C +ATOM 10012 OD1 ASN B 105 167.697 236.047 201.354 1.00 49.61 O +ATOM 10013 ND2 ASN B 105 169.038 237.760 201.893 1.00 56.19 N +ATOM 10014 H ASN B 105 171.048 234.526 202.350 1.00 62.98 H +ATOM 10015 HA ASN B 105 169.062 234.118 200.563 1.00 56.57 H +ATOM 10016 HB2 ASN B 105 170.778 236.316 200.934 1.00 60.50 H +ATOM 10017 HB3 ASN B 105 169.877 236.193 199.630 1.00 60.50 H +ATOM 10018 HD21 ASN B 105 168.413 238.162 202.326 1.00 67.43 H +ATOM 10019 HD22 ASN B 105 169.820 238.114 201.841 1.00 67.43 H +ATOM 10020 N ILE B 105A 171.748 232.934 200.002 1.00 51.27 N +ATOM 10021 CA ILE B 105A 172.535 232.148 199.057 1.00 45.59 C +ATOM 10022 C ILE B 105A 172.032 230.705 199.125 1.00 46.07 C +ATOM 10023 O ILE B 105A 172.491 229.935 199.963 1.00 48.42 O +ATOM 10024 CB ILE B 105A 174.039 232.203 199.368 1.00 48.70 C +ATOM 10025 CG1 ILE B 105A 174.533 233.650 199.310 1.00 48.27 C +ATOM 10026 CG2 ILE B 105A 174.818 231.347 198.373 1.00 41.06 C +ATOM 10027 CD1 ILE B 105A 175.949 233.848 199.814 1.00 41.19 C +ATOM 10028 H ILE B 105A 171.929 232.765 200.825 1.00 61.53 H +ATOM 10029 HA ILE B 105A 172.392 232.482 198.158 1.00 54.71 H +ATOM 10030 HB ILE B 105A 174.187 231.857 200.262 1.00 58.44 H +ATOM 10031 HG12 ILE B 105A 174.503 233.952 198.389 1.00 57.92 H +ATOM 10032 HG13 ILE B 105A 173.947 234.200 199.854 1.00 57.92 H +ATOM 10033 HG21 ILE B 105A 175.763 231.396 198.587 1.00 49.27 H +ATOM 10034 HG22 ILE B 105A 174.511 230.429 198.439 1.00 49.27 H +ATOM 10035 HG23 ILE B 105A 174.663 231.685 197.477 1.00 49.27 H +ATOM 10036 HD11 ILE B 105A 176.180 234.788 199.743 1.00 49.43 H +ATOM 10037 HD12 ILE B 105A 175.996 233.565 200.740 1.00 49.43 H +ATOM 10038 HD13 ILE B 105A 176.553 233.316 199.273 1.00 49.43 H +ATOM 10039 N PRO B 106 171.076 230.339 198.250 1.00 49.99 N +ATOM 10040 CA PRO B 106 170.408 229.032 198.344 1.00 51.65 C +ATOM 10041 C PRO B 106 171.384 227.863 198.396 1.00 44.72 C +ATOM 10042 O PRO B 106 171.188 226.930 199.174 1.00 47.99 O +ATOM 10043 CB PRO B 106 169.568 228.974 197.064 1.00 38.35 C +ATOM 10044 CG PRO B 106 169.372 230.387 196.670 1.00 41.95 C +ATOM 10045 CD PRO B 106 170.612 231.102 197.077 1.00 48.24 C +ATOM 10046 HA PRO B 106 169.824 229.003 199.118 1.00 61.98 H +ATOM 10047 HB2 PRO B 106 170.051 228.489 196.377 1.00 46.02 H +ATOM 10048 HB3 PRO B 106 168.716 228.549 197.251 1.00 46.02 H +ATOM 10049 HG2 PRO B 106 169.247 230.441 195.709 1.00 50.34 H +ATOM 10050 HG3 PRO B 106 168.601 230.749 197.134 1.00 50.34 H +ATOM 10051 HD2 PRO B 106 171.272 231.065 196.367 1.00 57.88 H +ATOM 10052 HD3 PRO B 106 170.408 232.016 197.327 1.00 57.88 H +ATOM 10053 N PHE B 107 172.423 227.923 197.572 1.00 50.48 N +ATOM 10054 CA PHE B 107 173.419 226.864 197.518 1.00 52.04 C +ATOM 10055 C PHE B 107 174.045 226.613 198.884 1.00 47.71 C +ATOM 10056 O PHE B 107 174.226 225.466 199.289 1.00 44.86 O +ATOM 10057 CB PHE B 107 174.506 227.211 196.503 1.00 60.03 C +ATOM 10058 CG PHE B 107 175.725 226.347 196.609 1.00 66.11 C +ATOM 10059 CD1 PHE B 107 175.741 225.079 196.054 1.00 69.61 C +ATOM 10060 CD2 PHE B 107 176.855 226.800 197.268 1.00 67.18 C +ATOM 10061 CE1 PHE B 107 176.862 224.279 196.154 1.00 69.67 C +ATOM 10062 CE2 PHE B 107 177.979 226.006 197.371 1.00 70.26 C +ATOM 10063 CZ PHE B 107 177.982 224.744 196.813 1.00 71.85 C +ATOM 10064 H PHE B 107 172.574 228.574 197.031 1.00 60.57 H +ATOM 10065 HA PHE B 107 172.990 226.043 197.229 1.00 62.45 H +ATOM 10066 HB2 PHE B 107 174.145 227.107 195.609 1.00 72.03 H +ATOM 10067 HB3 PHE B 107 174.782 228.131 196.641 1.00 72.03 H +ATOM 10068 HD1 PHE B 107 174.988 224.762 195.610 1.00 83.53 H +ATOM 10069 HD2 PHE B 107 176.857 227.650 197.646 1.00 80.61 H +ATOM 10070 HE1 PHE B 107 176.863 223.429 195.777 1.00 83.60 H +ATOM 10071 HE2 PHE B 107 178.732 226.321 197.815 1.00 84.31 H +ATOM 10072 HZ PHE B 107 178.739 224.207 196.881 1.00 86.21 H +ATOM 10073 N LEU B 108 174.378 227.691 199.587 1.00 46.91 N +ATOM 10074 CA LEU B 108 174.979 227.588 200.913 1.00 49.18 C +ATOM 10075 C LEU B 108 173.963 227.148 201.954 1.00 48.16 C +ATOM 10076 O LEU B 108 174.210 226.219 202.723 1.00 46.41 O +ATOM 10077 CB LEU B 108 175.590 228.925 201.331 1.00 52.78 C +ATOM 10078 CG LEU B 108 177.054 229.158 200.961 1.00 66.54 C +ATOM 10079 CD1 LEU B 108 177.442 230.589 201.285 1.00 70.38 C +ATOM 10080 CD2 LEU B 108 177.962 228.179 201.696 1.00 50.99 C +ATOM 10081 H LEU B 108 174.265 228.499 199.316 1.00 56.29 H +ATOM 10082 HA LEU B 108 175.689 226.927 200.888 1.00 59.02 H +ATOM 10083 HB2 LEU B 108 175.074 229.635 200.919 1.00 63.34 H +ATOM 10084 HB3 LEU B 108 175.523 228.999 202.296 1.00 63.34 H +ATOM 10085 HG LEU B 108 177.169 229.021 200.008 1.00 79.85 H +ATOM 10086 HD11 LEU B 108 178.372 230.725 201.046 1.00 84.46 H +ATOM 10087 HD12 LEU B 108 176.877 231.191 200.775 1.00 84.46 H +ATOM 10088 HD13 LEU B 108 177.318 230.743 202.234 1.00 84.46 H +ATOM 10089 HD21 LEU B 108 178.882 228.351 201.442 1.00 61.19 H +ATOM 10090 HD22 LEU B 108 177.853 228.304 202.651 1.00 61.19 H +ATOM 10091 HD23 LEU B 108 177.714 227.274 201.450 1.00 61.19 H +ATOM 10092 N ARG B 109 172.827 227.834 201.980 1.00 41.00 N +ATOM 10093 CA ARG B 109 171.768 227.537 202.931 1.00 42.26 C +ATOM 10094 C ARG B 109 171.367 226.064 202.874 1.00 41.13 C +ATOM 10095 O ARG B 109 171.214 225.413 203.906 1.00 35.86 O +ATOM 10096 CB ARG B 109 170.555 228.420 202.654 1.00 36.29 C +ATOM 10097 CG ARG B 109 169.473 228.335 203.710 1.00 37.94 C +ATOM 10098 CD ARG B 109 168.116 228.532 203.091 1.00 40.62 C +ATOM 10099 NE ARG B 109 167.043 228.440 204.073 1.00 45.94 N +ATOM 10100 CZ ARG B 109 165.754 228.560 203.775 1.00 48.04 C +ATOM 10101 NH1 ARG B 109 164.840 228.462 204.729 1.00 47.76 N +ATOM 10102 NH2 ARG B 109 165.380 228.777 202.520 1.00 43.65 N +ATOM 10103 H ARG B 109 172.644 228.484 201.448 1.00 49.20 H +ATOM 10104 HA ARG B 109 172.083 227.730 203.828 1.00 50.71 H +ATOM 10105 HB2 ARG B 109 170.846 229.343 202.604 1.00 43.55 H +ATOM 10106 HB3 ARG B 109 170.162 228.154 201.808 1.00 43.55 H +ATOM 10107 HG2 ARG B 109 169.496 227.459 204.127 1.00 45.53 H +ATOM 10108 HG3 ARG B 109 169.613 229.030 204.373 1.00 45.53 H +ATOM 10109 HD2 ARG B 109 168.078 229.412 202.684 1.00 48.75 H +ATOM 10110 HD3 ARG B 109 167.971 227.848 202.420 1.00 48.75 H +ATOM 10111 HE ARG B 109 167.251 228.219 204.877 1.00 55.13 H +ATOM 10112 HH11 ARG B 109 165.081 228.322 205.543 1.00 57.31 H +ATOM 10113 HH12 ARG B 109 164.006 228.540 204.536 1.00 57.31 H +ATOM 10114 HH21 ARG B 109 165.972 228.840 201.900 1.00 52.38 H +ATOM 10115 HH22 ARG B 109 164.545 228.854 202.328 1.00 52.38 H +ATOM 10116 N ASN B 110 171.204 225.546 201.662 1.00 38.18 N +ATOM 10117 CA ASN B 110 170.843 224.149 201.467 1.00 38.65 C +ATOM 10118 C ASN B 110 171.919 223.200 201.988 1.00 38.76 C +ATOM 10119 O ASN B 110 171.615 222.178 202.604 1.00 34.52 O +ATOM 10120 CB ASN B 110 170.583 223.871 199.985 1.00 35.00 C +ATOM 10121 CG ASN B 110 169.353 224.585 199.465 1.00 41.51 C +ATOM 10122 OD1 ASN B 110 168.416 224.863 200.214 1.00 35.46 O +ATOM 10123 ND2 ASN B 110 169.347 224.882 198.172 1.00 43.60 N +ATOM 10124 H ASN B 110 171.298 225.988 200.930 1.00 45.81 H +ATOM 10125 HA ASN B 110 170.024 223.965 201.953 1.00 46.38 H +ATOM 10126 HB2 ASN B 110 171.347 224.172 199.468 1.00 42.01 H +ATOM 10127 HB3 ASN B 110 170.453 222.917 199.860 1.00 42.01 H +ATOM 10128 HD21 ASN B 110 168.671 225.287 197.827 1.00 52.32 H +ATOM 10129 HD22 ASN B 110 170.018 224.669 197.678 1.00 52.32 H +ATOM 10130 N ALA B 111 173.177 223.545 201.736 1.00 34.42 N +ATOM 10131 CA ALA B 111 174.294 222.714 202.164 1.00 36.31 C +ATOM 10132 C ALA B 111 174.368 222.653 203.685 1.00 33.23 C +ATOM 10133 O ALA B 111 174.631 221.600 204.262 1.00 31.84 O +ATOM 10134 CB ALA B 111 175.597 223.243 201.589 1.00 34.27 C +ATOM 10135 H ALA B 111 173.411 224.259 201.318 1.00 41.30 H +ATOM 10136 HA ALA B 111 174.163 221.811 201.832 1.00 43.57 H +ATOM 10137 HB1 ALA B 111 176.326 222.675 201.886 1.00 41.12 H +ATOM 10138 HB2 ALA B 111 175.542 223.232 200.621 1.00 41.12 H +ATOM 10139 HB3 ALA B 111 175.734 224.150 201.903 1.00 41.12 H +ATOM 10140 N ILE B 112 174.132 223.791 204.329 1.00 34.41 N +ATOM 10141 CA ILE B 112 174.149 223.868 205.783 1.00 31.47 C +ATOM 10142 C ILE B 112 172.989 223.080 206.377 1.00 35.15 C +ATOM 10143 O ILE B 112 173.182 222.272 207.286 1.00 29.25 O +ATOM 10144 CB ILE B 112 174.086 225.329 206.266 1.00 34.67 C +ATOM 10145 CG1 ILE B 112 175.368 226.065 205.865 1.00 31.80 C +ATOM 10146 CG2 ILE B 112 173.891 225.397 207.784 1.00 35.20 C +ATOM 10147 CD1 ILE B 112 175.318 227.561 206.083 1.00 32.73 C +ATOM 10148 H ILE B 112 173.958 224.539 203.942 1.00 41.29 H +ATOM 10149 HA ILE B 112 174.976 223.479 206.110 1.00 37.76 H +ATOM 10150 HB ILE B 112 173.332 225.764 205.837 1.00 41.60 H +ATOM 10151 HG12 ILE B 112 176.105 225.715 206.389 1.00 38.16 H +ATOM 10152 HG13 ILE B 112 175.534 225.909 204.922 1.00 38.16 H +ATOM 10153 HG21 ILE B 112 173.855 226.327 208.056 1.00 42.24 H +ATOM 10154 HG22 ILE B 112 173.062 224.952 208.015 1.00 42.24 H +ATOM 10155 HG23 ILE B 112 174.638 224.954 208.217 1.00 42.24 H +ATOM 10156 HD11 ILE B 112 176.163 227.949 205.806 1.00 39.28 H +ATOM 10157 HD12 ILE B 112 174.594 227.933 205.555 1.00 39.28 H +ATOM 10158 HD13 ILE B 112 175.165 227.738 207.025 1.00 39.28 H +ATOM 10159 N MET B 113 171.785 223.322 205.869 1.00 34.24 N +ATOM 10160 CA MET B 113 170.605 222.626 206.361 1.00 29.75 C +ATOM 10161 C MET B 113 170.759 221.126 206.157 1.00 31.19 C +ATOM 10162 O MET B 113 170.417 220.333 207.029 1.00 27.55 O +ATOM 10163 CB MET B 113 169.342 223.122 205.657 1.00 30.04 C +ATOM 10164 CG MET B 113 168.060 222.536 206.229 1.00 27.03 C +ATOM 10165 SD MET B 113 167.756 223.103 207.911 1.00 27.77 S +ATOM 10166 CE MET B 113 166.810 221.733 208.573 1.00 30.16 C +ATOM 10167 H MET B 113 171.626 223.885 205.238 1.00 41.09 H +ATOM 10168 HA MET B 113 170.508 222.805 207.309 1.00 35.70 H +ATOM 10169 HB2 MET B 113 169.292 224.087 205.745 1.00 36.05 H +ATOM 10170 HB3 MET B 113 169.388 222.878 204.720 1.00 36.05 H +ATOM 10171 HG2 MET B 113 167.311 222.809 205.677 1.00 32.44 H +ATOM 10172 HG3 MET B 113 168.131 221.569 206.243 1.00 32.44 H +ATOM 10173 HE1 MET B 113 166.581 221.925 209.496 1.00 36.20 H +ATOM 10174 HE2 MET B 113 166.002 221.625 208.047 1.00 36.20 H +ATOM 10175 HE3 MET B 113 167.347 220.927 208.525 1.00 36.20 H +ATOM 10176 N SER B 114 171.276 220.744 204.997 1.00 34.44 N +ATOM 10177 CA SER B 114 171.521 219.342 204.697 1.00 37.75 C +ATOM 10178 C SER B 114 172.489 218.730 205.706 1.00 40.09 C +ATOM 10179 O SER B 114 172.315 217.588 206.131 1.00 42.00 O +ATOM 10180 CB SER B 114 172.070 219.188 203.282 1.00 37.90 C +ATOM 10181 OG SER B 114 172.424 217.843 203.024 1.00 46.77 O +ATOM 10182 H SER B 114 171.496 221.282 204.362 1.00 41.33 H +ATOM 10183 HA SER B 114 170.683 218.856 204.750 1.00 45.31 H +ATOM 10184 HB2 SER B 114 171.390 219.462 202.648 1.00 45.48 H +ATOM 10185 HB3 SER B 114 172.858 219.746 203.187 1.00 45.48 H +ATOM 10186 HG SER B 114 172.725 217.770 202.243 1.00 56.13 H +ATOM 10187 N TYR B 115 173.502 219.497 206.093 1.00 31.82 N +ATOM 10188 CA TYR B 115 174.475 219.020 207.065 1.00 37.18 C +ATOM 10189 C TYR B 115 173.854 218.881 208.447 1.00 36.45 C +ATOM 10190 O TYR B 115 174.136 217.923 209.166 1.00 43.30 O +ATOM 10191 CB TYR B 115 175.680 219.956 207.147 1.00 34.32 C +ATOM 10192 CG TYR B 115 176.586 219.599 208.297 1.00 35.93 C +ATOM 10193 CD1 TYR B 115 177.459 218.525 208.204 1.00 43.54 C +ATOM 10194 CD2 TYR B 115 176.548 220.314 209.486 1.00 38.07 C +ATOM 10195 CE1 TYR B 115 178.280 218.181 209.257 1.00 41.20 C +ATOM 10196 CE2 TYR B 115 177.367 219.978 210.545 1.00 39.67 C +ATOM 10197 CZ TYR B 115 178.230 218.911 210.425 1.00 41.46 C +ATOM 10198 OH TYR B 115 179.050 218.570 211.477 1.00 81.76 O +ATOM 10199 H TYR B 115 173.647 220.295 205.808 1.00 38.18 H +ATOM 10200 HA TYR B 115 174.793 218.146 206.790 1.00 44.62 H +ATOM 10201 HB2 TYR B 115 176.192 219.889 206.326 1.00 41.19 H +ATOM 10202 HB3 TYR B 115 175.370 220.866 207.276 1.00 41.19 H +ATOM 10203 HD1 TYR B 115 177.494 218.031 207.417 1.00 52.25 H +ATOM 10204 HD2 TYR B 115 175.965 221.034 209.568 1.00 45.68 H +ATOM 10205 HE1 TYR B 115 178.865 217.462 209.179 1.00 49.44 H +ATOM 10206 HE2 TYR B 115 177.335 220.469 211.335 1.00 47.60 H +ATOM 10207 HH TYR B 115 178.920 219.091 212.123 1.00 98.11 H +ATOM 10208 N VAL B 116 173.028 219.850 208.823 1.00 36.98 N +ATOM 10209 CA VAL B 116 172.323 219.806 210.098 1.00 35.84 C +ATOM 10210 C VAL B 116 171.508 218.525 210.213 1.00 37.44 C +ATOM 10211 O VAL B 116 171.505 217.874 211.256 1.00 35.54 O +ATOM 10212 CB VAL B 116 171.397 221.031 210.271 1.00 35.30 C +ATOM 10213 CG1 VAL B 116 170.372 220.809 211.390 1.00 35.86 C +ATOM 10214 CG2 VAL B 116 172.223 222.278 210.546 1.00 37.51 C +ATOM 10215 H VAL B 116 172.857 220.550 208.353 1.00 44.38 H +ATOM 10216 HA VAL B 116 172.972 219.815 210.819 1.00 43.00 H +ATOM 10217 HB VAL B 116 170.909 221.174 209.445 1.00 42.36 H +ATOM 10218 HG11 VAL B 116 169.812 221.597 211.466 1.00 43.03 H +ATOM 10219 HG12 VAL B 116 169.828 220.036 211.170 1.00 43.03 H +ATOM 10220 HG13 VAL B 116 170.843 220.655 212.224 1.00 43.03 H +ATOM 10221 HG21 VAL B 116 171.626 223.035 210.652 1.00 45.01 H +ATOM 10222 HG22 VAL B 116 172.735 222.143 211.359 1.00 45.01 H +ATOM 10223 HG23 VAL B 116 172.822 222.430 209.799 1.00 45.01 H +ATOM 10224 N LEU B 117 170.822 218.163 209.135 1.00 32.62 N +ATOM 10225 CA LEU B 117 169.942 217.002 209.143 1.00 39.88 C +ATOM 10226 C LEU B 117 170.710 215.688 209.273 1.00 43.39 C +ATOM 10227 O LEU B 117 170.365 214.848 210.099 1.00 40.66 O +ATOM 10228 CB LEU B 117 169.088 216.977 207.874 1.00 39.59 C +ATOM 10229 CG LEU B 117 168.081 218.122 207.729 1.00 35.80 C +ATOM 10230 CD1 LEU B 117 167.444 218.081 206.352 1.00 35.64 C +ATOM 10231 CD2 LEU B 117 167.020 218.067 208.821 1.00 29.24 C +ATOM 10232 H LEU B 117 170.849 218.577 208.381 1.00 39.15 H +ATOM 10233 HA LEU B 117 169.343 217.070 209.902 1.00 47.86 H +ATOM 10234 HB2 LEU B 117 169.679 217.012 207.106 1.00 47.51 H +ATOM 10235 HB3 LEU B 117 168.587 216.146 207.859 1.00 47.51 H +ATOM 10236 HG LEU B 117 168.551 218.965 207.814 1.00 42.96 H +ATOM 10237 HD11 LEU B 117 166.810 218.812 206.277 1.00 42.77 H +ATOM 10238 HD12 LEU B 117 168.138 218.175 205.681 1.00 42.77 H +ATOM 10239 HD13 LEU B 117 166.987 217.233 206.241 1.00 42.77 H +ATOM 10240 HD21 LEU B 117 166.402 218.804 208.697 1.00 35.09 H +ATOM 10241 HD22 LEU B 117 166.546 217.223 208.758 1.00 35.09 H +ATOM 10242 HD23 LEU B 117 167.453 218.139 209.685 1.00 35.09 H +ATOM 10243 N THR B 118 171.746 215.513 208.463 1.00 42.79 N +ATOM 10244 CA THR B 118 172.482 214.253 208.440 1.00 47.20 C +ATOM 10245 C THR B 118 173.361 214.065 209.676 1.00 49.01 C +ATOM 10246 O THR B 118 173.473 212.955 210.195 1.00 44.41 O +ATOM 10247 CB THR B 118 173.367 214.144 207.189 1.00 42.58 C +ATOM 10248 OG1 THR B 118 174.183 215.315 207.074 1.00 48.06 O +ATOM 10249 CG2 THR B 118 172.511 213.996 205.939 1.00 38.29 C +ATOM 10250 H THR B 118 172.045 216.106 207.916 1.00 51.35 H +ATOM 10251 HA THR B 118 171.845 213.522 208.417 1.00 56.64 H +ATOM 10252 HB THR B 118 173.935 213.361 207.264 1.00 51.10 H +ATOM 10253 HG1 THR B 118 174.669 215.261 206.391 1.00 57.68 H +ATOM 10254 HG21 THR B 118 173.079 213.928 205.155 1.00 45.95 H +ATOM 10255 HG22 THR B 118 171.965 213.197 206.004 1.00 45.95 H +ATOM 10256 HG23 THR B 118 171.931 214.767 205.842 1.00 45.95 H +ATOM 10257 N SER B 119 173.979 215.144 210.148 1.00 39.34 N +ATOM 10258 CA SER B 119 174.875 215.057 211.297 1.00 39.90 C +ATOM 10259 C SER B 119 174.109 214.690 212.569 1.00 41.71 C +ATOM 10260 O SER B 119 174.540 213.828 213.334 1.00 35.51 O +ATOM 10261 CB SER B 119 175.634 216.374 211.493 1.00 31.91 C +ATOM 10262 OG SER B 119 174.793 217.403 211.985 1.00 36.03 O +ATOM 10263 H SER B 119 173.897 215.935 209.823 1.00 47.21 H +ATOM 10264 HA SER B 119 175.528 214.359 211.132 1.00 47.88 H +ATOM 10265 HB2 SER B 119 176.353 216.229 212.128 1.00 38.30 H +ATOM 10266 HB3 SER B 119 176.002 216.653 210.640 1.00 38.30 H +ATOM 10267 HG SER B 119 174.166 217.544 211.444 1.00 43.23 H +ATOM 10268 N ARG B 120 172.970 215.337 212.792 1.00 44.42 N +ATOM 10269 CA ARG B 120 172.160 215.058 213.974 1.00 42.20 C +ATOM 10270 C ARG B 120 171.513 213.678 213.876 1.00 44.12 C +ATOM 10271 O ARG B 120 171.410 212.959 214.867 1.00 41.58 O +ATOM 10272 CB ARG B 120 171.083 216.127 214.156 1.00 31.14 C +ATOM 10273 CG ARG B 120 171.610 217.553 214.268 1.00 38.64 C +ATOM 10274 CD ARG B 120 171.855 217.973 215.708 1.00 44.94 C +ATOM 10275 NE ARG B 120 171.892 219.427 215.846 1.00 54.14 N +ATOM 10276 CZ ARG B 120 172.103 220.069 216.990 1.00 46.57 C +ATOM 10277 NH1 ARG B 120 172.303 219.391 218.111 1.00 44.41 N +ATOM 10278 NH2 ARG B 120 172.116 221.393 217.016 1.00 49.58 N +ATOM 10279 H ARG B 120 172.644 215.941 212.274 1.00 53.30 H +ATOM 10280 HA ARG B 120 172.730 215.069 214.759 1.00 50.64 H +ATOM 10281 HB2 ARG B 120 170.484 216.096 213.393 1.00 37.37 H +ATOM 10282 HB3 ARG B 120 170.588 215.933 214.967 1.00 37.37 H +ATOM 10283 HG2 ARG B 120 172.451 217.618 213.789 1.00 46.37 H +ATOM 10284 HG3 ARG B 120 170.961 218.162 213.884 1.00 46.37 H +ATOM 10285 HD2 ARG B 120 171.138 217.634 216.267 1.00 53.93 H +ATOM 10286 HD3 ARG B 120 172.708 217.618 216.005 1.00 53.93 H +ATOM 10287 HE ARG B 120 171.770 219.900 215.138 1.00 64.96 H +ATOM 10288 HH11 ARG B 120 172.296 218.531 218.101 1.00 53.29 H +ATOM 10289 HH12 ARG B 120 172.440 219.811 218.849 1.00 53.29 H +ATOM 10290 HH21 ARG B 120 171.987 221.838 216.291 1.00 59.49 H +ATOM 10291 HH22 ARG B 120 172.254 221.808 217.756 1.00 59.49 H +ATOM 10292 N SER B 121 171.088 213.309 212.673 1.00 44.34 N +ATOM 10293 CA SER B 121 170.404 212.039 212.457 1.00 48.08 C +ATOM 10294 C SER B 121 171.289 210.830 212.749 1.00 44.46 C +ATOM 10295 O SER B 121 170.791 209.783 213.154 1.00 46.05 O +ATOM 10296 CB SER B 121 169.889 211.956 211.020 1.00 49.55 C +ATOM 10297 OG SER B 121 168.797 212.838 210.819 1.00 53.98 O +ATOM 10298 H SER B 121 171.184 213.780 211.960 1.00 53.21 H +ATOM 10299 HA SER B 121 169.637 211.994 213.049 1.00 57.69 H +ATOM 10300 HB2 SER B 121 170.606 212.199 210.414 1.00 59.46 H +ATOM 10301 HB3 SER B 121 169.598 211.048 210.842 1.00 59.46 H +ATOM 10302 HG SER B 121 169.035 213.629 210.970 1.00 64.77 H +ATOM 10303 N HIS B 122 172.595 210.975 212.535 1.00 45.71 N +ATOM 10304 CA HIS B 122 173.537 209.881 212.765 1.00 45.34 C +ATOM 10305 C HIS B 122 173.559 209.433 214.224 1.00 31.74 C +ATOM 10306 O HIS B 122 174.060 208.355 214.537 1.00 30.94 O +ATOM 10307 CB HIS B 122 174.951 210.290 212.345 1.00 49.47 C +ATOM 10308 CG HIS B 122 175.157 210.345 210.863 1.00 66.74 C +ATOM 10309 ND1 HIS B 122 176.262 210.934 210.289 1.00 73.11 N +ATOM 10310 CD2 HIS B 122 174.405 209.880 209.838 1.00 73.50 C +ATOM 10311 CE1 HIS B 122 176.180 210.834 208.974 1.00 74.29 C +ATOM 10312 NE2 HIS B 122 175.062 210.198 208.674 1.00 75.79 N +ATOM 10313 H HIS B 122 172.963 211.700 212.255 1.00 54.86 H +ATOM 10314 HA HIS B 122 173.273 209.120 212.224 1.00 54.41 H +ATOM 10315 HB2 HIS B 122 175.140 211.171 212.703 1.00 59.36 H +ATOM 10316 HB3 HIS B 122 175.581 209.647 212.707 1.00 59.36 H +ATOM 10317 HD2 HIS B 122 173.593 209.432 209.908 1.00 88.20 H +ATOM 10318 HE1 HIS B 122 176.803 211.155 208.364 1.00 89.15 H +ATOM 10319 HE2 HIS B 122 174.790 210.013 207.880 1.00 90.94 H +ATOM 10320 N LEU B 123 173.027 210.265 215.112 1.00 31.40 N +ATOM 10321 CA LEU B 123 173.038 209.969 216.541 1.00 34.79 C +ATOM 10322 C LEU B 123 171.913 209.027 216.943 1.00 24.40 C +ATOM 10323 O LEU B 123 171.886 208.529 218.065 1.00 30.96 O +ATOM 10324 CB LEU B 123 172.939 211.264 217.347 1.00 37.88 C +ATOM 10325 CG LEU B 123 174.202 212.124 217.376 1.00 34.79 C +ATOM 10326 CD1 LEU B 123 173.903 213.481 217.991 1.00 39.88 C +ATOM 10327 CD2 LEU B 123 175.299 211.419 218.147 1.00 32.41 C +ATOM 10328 H LEU B 123 172.650 211.012 214.911 1.00 37.68 H +ATOM 10329 HA LEU B 123 173.879 209.542 216.766 1.00 41.75 H +ATOM 10330 HB2 LEU B 123 172.228 211.805 216.970 1.00 45.45 H +ATOM 10331 HB3 LEU B 123 172.721 211.037 218.264 1.00 45.45 H +ATOM 10332 HG LEU B 123 174.513 212.264 216.468 1.00 41.75 H +ATOM 10333 HD11 LEU B 123 174.716 214.010 217.999 1.00 47.86 H +ATOM 10334 HD12 LEU B 123 173.224 213.925 217.458 1.00 47.86 H +ATOM 10335 HD13 LEU B 123 173.581 213.353 218.897 1.00 47.86 H +ATOM 10336 HD21 LEU B 123 176.090 211.980 218.154 1.00 38.89 H +ATOM 10337 HD22 LEU B 123 174.995 211.263 219.055 1.00 38.89 H +ATOM 10338 HD23 LEU B 123 175.495 210.573 217.714 1.00 38.89 H +ATOM 10339 N ILE B 124 170.987 208.788 216.023 1.00 26.66 N +ATOM 10340 CA ILE B 124 169.847 207.920 216.278 1.00 26.98 C +ATOM 10341 C ILE B 124 170.006 206.604 215.535 1.00 26.59 C +ATOM 10342 O ILE B 124 170.291 206.587 214.340 1.00 29.23 O +ATOM 10343 CB ILE B 124 168.530 208.590 215.852 1.00 21.40 C +ATOM 10344 CG1 ILE B 124 168.401 209.970 216.506 1.00 28.24 C +ATOM 10345 CG2 ILE B 124 167.330 207.701 216.195 1.00 21.43 C +ATOM 10346 CD1 ILE B 124 168.436 209.948 218.019 1.00 24.40 C +ATOM 10347 H ILE B 124 170.998 209.122 215.230 1.00 32.00 H +ATOM 10348 HA ILE B 124 169.798 207.729 217.227 1.00 32.38 H +ATOM 10349 HB ILE B 124 168.550 208.712 214.890 1.00 25.68 H +ATOM 10350 HG12 ILE B 124 169.135 210.528 216.202 1.00 33.89 H +ATOM 10351 HG13 ILE B 124 167.557 210.365 216.236 1.00 33.89 H +ATOM 10352 HG21 ILE B 124 166.516 208.149 215.916 1.00 25.71 H +ATOM 10353 HG22 ILE B 124 167.420 206.856 215.728 1.00 25.71 H +ATOM 10354 HG23 ILE B 124 167.313 207.551 217.153 1.00 25.71 H +ATOM 10355 HD11 ILE B 124 168.349 210.856 218.350 1.00 29.28 H +ATOM 10356 HD12 ILE B 124 167.700 209.406 218.344 1.00 29.28 H +ATOM 10357 HD13 ILE B 124 169.280 209.569 218.310 1.00 29.28 H +ATOM 10358 N ASP B 125 169.831 205.497 216.250 1.00 24.95 N +ATOM 10359 CA ASP B 125 169.835 204.185 215.621 1.00 30.22 C +ATOM 10360 C ASP B 125 168.497 203.942 214.933 1.00 24.57 C +ATOM 10361 O ASP B 125 167.442 204.016 215.560 1.00 26.07 O +ATOM 10362 CB ASP B 125 170.121 203.085 216.647 1.00 29.09 C +ATOM 10363 CG ASP B 125 171.587 203.021 217.040 1.00 40.91 C +ATOM 10364 OD1 ASP B 125 172.438 203.482 216.248 1.00 36.43 O +ATOM 10365 OD2 ASP B 125 171.889 202.505 218.135 1.00 52.21 O +ATOM 10366 H ASP B 125 169.708 205.481 217.101 1.00 29.93 H +ATOM 10367 HA ASP B 125 170.531 204.158 214.946 1.00 36.27 H +ATOM 10368 HB2 ASP B 125 169.603 203.257 217.449 1.00 34.91 H +ATOM 10369 HB3 ASP B 125 169.874 202.227 216.269 1.00 34.91 H +ATOM 10370 N SER B 126 168.559 203.644 213.642 1.00 22.77 N +ATOM 10371 CA SER B 126 167.368 203.463 212.829 1.00 25.37 C +ATOM 10372 C SER B 126 167.636 202.422 211.742 1.00 18.77 C +ATOM 10373 O SER B 126 168.495 202.636 210.893 1.00 26.68 O +ATOM 10374 CB SER B 126 166.946 204.795 212.206 1.00 21.03 C +ATOM 10375 OG SER B 126 165.744 204.664 211.465 1.00 26.37 O +ATOM 10376 H SER B 126 169.294 203.539 213.207 1.00 27.32 H +ATOM 10377 HA SER B 126 166.642 203.143 213.387 1.00 30.45 H +ATOM 10378 HB2 SER B 126 166.809 205.443 212.915 1.00 25.24 H +ATOM 10379 HB3 SER B 126 167.649 205.101 211.612 1.00 25.24 H +ATOM 10380 HG SER B 126 165.124 204.401 211.968 1.00 31.65 H +ATOM 10381 N PRO B 127 166.914 201.288 211.756 1.00 22.69 N +ATOM 10382 CA PRO B 127 165.852 200.868 212.682 1.00 24.67 C +ATOM 10383 C PRO B 127 166.304 200.797 214.143 1.00 25.78 C +ATOM 10384 O PRO B 127 167.496 200.645 214.417 1.00 22.20 O +ATOM 10385 CB PRO B 127 165.459 199.477 212.163 1.00 30.67 C +ATOM 10386 CG PRO B 127 166.549 199.066 211.244 1.00 30.37 C +ATOM 10387 CD PRO B 127 167.092 200.316 210.665 1.00 21.34 C +ATOM 10388 HA PRO B 127 165.090 201.463 212.611 1.00 29.61 H +ATOM 10389 HB2 PRO B 127 165.390 198.860 212.908 1.00 36.80 H +ATOM 10390 HB3 PRO B 127 164.615 199.535 211.688 1.00 36.80 H +ATOM 10391 HG2 PRO B 127 167.235 198.597 211.744 1.00 36.44 H +ATOM 10392 HG3 PRO B 127 166.188 198.497 210.546 1.00 36.44 H +ATOM 10393 HD2 PRO B 127 168.033 200.212 210.454 1.00 25.61 H +ATOM 10394 HD3 PRO B 127 166.578 200.581 209.886 1.00 25.61 H +ATOM 10395 N PRO B 128 165.345 200.905 215.074 1.00 26.20 N +ATOM 10396 CA PRO B 128 165.607 201.061 216.506 1.00 20.11 C +ATOM 10397 C PRO B 128 166.161 199.798 217.152 1.00 21.52 C +ATOM 10398 O PRO B 128 166.137 198.733 216.537 1.00 15.31 O +ATOM 10399 CB PRO B 128 164.231 201.400 217.067 1.00 20.64 C +ATOM 10400 CG PRO B 128 163.295 200.692 216.171 1.00 28.49 C +ATOM 10401 CD PRO B 128 163.905 200.745 214.802 1.00 25.90 C +ATOM 10402 HA PRO B 128 166.214 201.801 216.664 1.00 24.13 H +ATOM 10403 HB2 PRO B 128 164.155 201.072 217.977 1.00 24.77 H +ATOM 10404 HB3 PRO B 128 164.087 202.359 217.030 1.00 24.77 H +ATOM 10405 HG2 PRO B 128 163.199 199.772 216.465 1.00 34.19 H +ATOM 10406 HG3 PRO B 128 162.436 201.143 216.178 1.00 34.19 H +ATOM 10407 HD2 PRO B 128 163.741 199.916 214.326 1.00 31.08 H +ATOM 10408 HD3 PRO B 128 163.567 201.510 214.310 1.00 31.08 H +ATOM 10409 N THR B 129 166.634 199.922 218.388 1.00 18.86 N +ATOM 10410 CA THR B 129 167.313 198.823 219.065 1.00 25.28 C +ATOM 10411 C THR B 129 166.642 198.444 220.391 1.00 20.77 C +ATOM 10412 O THR B 129 165.781 197.572 220.417 1.00 26.62 O +ATOM 10413 CB THR B 129 168.794 199.173 219.305 1.00 21.68 C +ATOM 10414 OG1 THR B 129 168.894 200.399 220.038 1.00 26.62 O +ATOM 10415 CG2 THR B 129 169.514 199.336 217.973 1.00 19.90 C +ATOM 10416 H THR B 129 166.574 200.639 218.860 1.00 22.64 H +ATOM 10417 HA THR B 129 167.286 198.043 218.490 1.00 30.34 H +ATOM 10418 HB THR B 129 169.222 198.459 219.804 1.00 26.01 H +ATOM 10419 HG1 THR B 129 169.702 200.590 220.169 1.00 31.94 H +ATOM 10420 HG21 THR B 129 170.446 199.556 218.125 1.00 23.87 H +ATOM 10421 HG22 THR B 129 169.463 198.511 217.466 1.00 23.87 H +ATOM 10422 HG23 THR B 129 169.102 200.048 217.459 1.00 23.87 H +ATOM 10423 N TYR B 130 167.028 199.099 221.481 1.00 20.87 N +ATOM 10424 CA TYR B 130 166.586 198.688 222.810 1.00 24.55 C +ATOM 10425 C TYR B 130 165.217 199.246 223.199 1.00 30.01 C +ATOM 10426 O TYR B 130 164.752 200.230 222.630 1.00 33.40 O +ATOM 10427 CB TYR B 130 167.608 199.125 223.863 1.00 27.40 C +ATOM 10428 CG TYR B 130 169.045 198.795 223.530 1.00 27.53 C +ATOM 10429 CD1 TYR B 130 169.518 197.492 223.610 1.00 26.23 C +ATOM 10430 CD2 TYR B 130 169.936 199.791 223.152 1.00 26.51 C +ATOM 10431 CE1 TYR B 130 170.829 197.189 223.312 1.00 26.06 C +ATOM 10432 CE2 TYR B 130 171.255 199.496 222.854 1.00 30.47 C +ATOM 10433 CZ TYR B 130 171.693 198.194 222.936 1.00 30.68 C +ATOM 10434 OH TYR B 130 172.999 197.890 222.642 1.00 33.61 O +ATOM 10435 H TYR B 130 167.547 199.785 221.479 1.00 25.05 H +ATOM 10436 HA TYR B 130 166.529 197.720 222.835 1.00 29.46 H +ATOM 10437 HB2 TYR B 130 167.546 200.086 223.973 1.00 32.88 H +ATOM 10438 HB3 TYR B 130 167.394 198.687 224.702 1.00 32.88 H +ATOM 10439 HD1 TYR B 130 168.938 196.810 223.863 1.00 31.47 H +ATOM 10440 HD2 TYR B 130 169.641 200.671 223.096 1.00 31.81 H +ATOM 10441 HE1 TYR B 130 171.130 196.311 223.368 1.00 31.28 H +ATOM 10442 HE2 TYR B 130 171.840 200.172 222.599 1.00 36.56 H +ATOM 10443 HH TYR B 130 173.415 198.588 222.428 1.00 40.33 H +ATOM 10444 N ASN B 131 164.578 198.596 224.168 1.00 26.15 N +ATOM 10445 CA ASN B 131 163.454 199.191 224.885 1.00 26.64 C +ATOM 10446 C ASN B 131 163.598 198.886 226.375 1.00 27.12 C +ATOM 10447 O ASN B 131 164.641 198.395 226.806 1.00 25.85 O +ATOM 10448 CB ASN B 131 162.104 198.704 224.334 1.00 24.25 C +ATOM 10449 CG ASN B 131 161.868 197.211 224.522 1.00 25.80 C +ATOM 10450 OD1 ASN B 131 162.311 196.598 225.493 1.00 29.21 O +ATOM 10451 ND2 ASN B 131 161.138 196.624 223.587 1.00 19.76 N +ATOM 10452 H ASN B 131 164.779 197.803 224.431 1.00 31.38 H +ATOM 10453 HA ASN B 131 163.488 200.154 224.776 1.00 31.96 H +ATOM 10454 HB2 ASN B 131 161.390 199.177 224.790 1.00 29.10 H +ATOM 10455 HB3 ASN B 131 162.068 198.893 223.383 1.00 29.10 H +ATOM 10456 HD21 ASN B 131 160.970 195.783 223.638 1.00 23.71 H +ATOM 10457 HD22 ASN B 131 160.831 197.085 222.929 1.00 23.71 H +ATOM 10458 N ALA B 132 162.561 199.176 227.155 1.00 27.13 N +ATOM 10459 CA ALA B 132 162.633 199.055 228.611 1.00 27.22 C +ATOM 10460 C ALA B 132 162.961 197.639 229.080 1.00 26.23 C +ATOM 10461 O ALA B 132 163.565 197.460 230.132 1.00 34.50 O +ATOM 10462 CB ALA B 132 161.323 199.510 229.240 1.00 23.22 C +ATOM 10463 H ALA B 132 161.798 199.447 226.865 1.00 32.55 H +ATOM 10464 HA ALA B 132 163.334 199.641 228.936 1.00 32.67 H +ATOM 10465 HB1 ALA B 132 161.389 199.423 230.204 1.00 27.87 H +ATOM 10466 HB2 ALA B 132 161.164 200.437 229.002 1.00 27.87 H +ATOM 10467 HB3 ALA B 132 160.602 198.954 228.906 1.00 27.87 H +ATOM 10468 N ASP B 133 162.566 196.640 228.300 1.00 29.76 N +ATOM 10469 CA ASP B 133 162.708 195.247 228.716 1.00 24.28 C +ATOM 10470 C ASP B 133 163.920 194.536 228.112 1.00 23.93 C +ATOM 10471 O ASP B 133 164.176 193.382 228.437 1.00 27.84 O +ATOM 10472 CB ASP B 133 161.436 194.467 228.363 1.00 22.02 C +ATOM 10473 CG ASP B 133 160.302 194.725 229.341 1.00 21.56 C +ATOM 10474 OD1 ASP B 133 160.577 195.091 230.499 1.00 32.22 O +ATOM 10475 OD2 ASP B 133 159.131 194.553 228.955 1.00 30.89 O +ATOM 10476 H ASP B 133 162.212 196.741 227.523 1.00 35.71 H +ATOM 10477 HA ASP B 133 162.807 195.223 229.680 1.00 29.14 H +ATOM 10478 HB2 ASP B 133 161.137 194.733 227.480 1.00 26.43 H +ATOM 10479 HB3 ASP B 133 161.634 193.518 228.376 1.00 26.43 H +ATOM 10480 N TYR B 134 164.670 195.217 227.252 1.00 27.52 N +ATOM 10481 CA TYR B 134 165.814 194.589 226.595 1.00 26.05 C +ATOM 10482 C TYR B 134 167.034 195.498 226.517 1.00 27.41 C +ATOM 10483 O TYR B 134 167.031 196.497 225.806 1.00 27.98 O +ATOM 10484 CB TYR B 134 165.415 194.123 225.194 1.00 23.02 C +ATOM 10485 CG TYR B 134 164.403 193.005 225.229 1.00 18.18 C +ATOM 10486 CD1 TYR B 134 164.808 191.683 225.334 1.00 18.25 C +ATOM 10487 CD2 TYR B 134 163.042 193.270 225.183 1.00 21.30 C +ATOM 10488 CE1 TYR B 134 163.889 190.659 225.375 1.00 17.92 C +ATOM 10489 CE2 TYR B 134 162.117 192.253 225.228 1.00 19.79 C +ATOM 10490 CZ TYR B 134 162.544 190.949 225.324 1.00 21.93 C +ATOM 10491 OH TYR B 134 161.618 189.936 225.371 1.00 27.32 O +ATOM 10492 H TYR B 134 164.540 196.038 227.031 1.00 33.02 H +ATOM 10493 HA TYR B 134 166.068 193.803 227.104 1.00 31.27 H +ATOM 10494 HB2 TYR B 134 165.024 194.868 224.711 1.00 27.63 H +ATOM 10495 HB3 TYR B 134 166.203 193.802 224.730 1.00 27.63 H +ATOM 10496 HD1 TYR B 134 165.716 191.484 225.369 1.00 21.90 H +ATOM 10497 HD2 TYR B 134 162.750 194.151 225.118 1.00 25.56 H +ATOM 10498 HE1 TYR B 134 164.175 189.776 225.443 1.00 21.50 H +ATOM 10499 HE2 TYR B 134 161.208 192.446 225.192 1.00 23.75 H +ATOM 10500 HH TYR B 134 162.006 189.194 225.430 1.00 32.79 H +ATOM 10501 N GLY B 135 168.074 195.131 227.262 1.00 24.85 N +ATOM 10502 CA GLY B 135 169.346 195.828 227.223 1.00 26.48 C +ATOM 10503 C GLY B 135 170.286 195.201 226.210 1.00 25.29 C +ATOM 10504 O GLY B 135 171.471 195.525 226.153 1.00 23.88 O +ATOM 10505 H GLY B 135 168.062 194.466 227.808 1.00 29.82 H +ATOM 10506 HA2 GLY B 135 169.202 196.757 226.981 1.00 31.78 H +ATOM 10507 HA3 GLY B 135 169.764 195.795 228.097 1.00 31.78 H +ATOM 10508 N TYR B 136 169.745 194.284 225.418 1.00 23.09 N +ATOM 10509 CA TYR B 136 170.473 193.671 224.316 1.00 28.74 C +ATOM 10510 C TYR B 136 169.552 193.644 223.107 1.00 24.57 C +ATOM 10511 O TYR B 136 168.333 193.646 223.263 1.00 26.33 O +ATOM 10512 CB TYR B 136 170.938 192.258 224.680 1.00 27.91 C +ATOM 10513 CG TYR B 136 169.824 191.359 225.158 1.00 21.59 C +ATOM 10514 CD1 TYR B 136 169.471 191.311 226.499 1.00 27.47 C +ATOM 10515 CD2 TYR B 136 169.118 190.563 224.269 1.00 19.93 C +ATOM 10516 CE1 TYR B 136 168.450 190.495 226.939 1.00 21.68 C +ATOM 10517 CE2 TYR B 136 168.096 189.745 224.702 1.00 25.74 C +ATOM 10518 CZ TYR B 136 167.767 189.715 226.039 1.00 23.46 C +ATOM 10519 OH TYR B 136 166.750 188.903 226.480 1.00 25.21 O +ATOM 10520 H TYR B 136 168.940 193.994 225.501 1.00 27.70 H +ATOM 10521 HA TYR B 136 171.252 194.208 224.101 1.00 34.49 H +ATOM 10522 HB2 TYR B 136 171.336 191.847 223.897 1.00 33.49 H +ATOM 10523 HB3 TYR B 136 171.597 192.318 225.390 1.00 33.49 H +ATOM 10524 HD1 TYR B 136 169.932 191.838 227.111 1.00 32.97 H +ATOM 10525 HD2 TYR B 136 169.337 190.581 223.365 1.00 23.92 H +ATOM 10526 HE1 TYR B 136 168.226 190.473 227.842 1.00 26.02 H +ATOM 10527 HE2 TYR B 136 167.632 189.216 224.094 1.00 30.89 H +ATOM 10528 HH TYR B 136 166.417 188.483 225.833 1.00 30.26 H +ATOM 10529 N LYS B 137 170.129 193.644 221.912 1.00 24.85 N +ATOM 10530 CA LYS B 137 169.330 193.574 220.694 1.00 21.87 C +ATOM 10531 C LYS B 137 168.528 192.282 220.669 1.00 22.99 C +ATOM 10532 O LYS B 137 169.051 191.207 220.964 1.00 29.83 O +ATOM 10533 CB LYS B 137 170.211 193.660 219.444 1.00 29.36 C +ATOM 10534 CG LYS B 137 170.580 195.070 219.009 1.00 26.41 C +ATOM 10535 CD LYS B 137 171.790 195.586 219.746 1.00 32.98 C +ATOM 10536 CE LYS B 137 172.440 196.737 219.003 1.00 27.29 C +ATOM 10537 NZ LYS B 137 173.672 197.187 219.699 1.00 30.40 N +ATOM 10538 H LYS B 137 170.977 193.685 221.778 1.00 29.81 H +ATOM 10539 HA LYS B 137 168.708 194.318 220.677 1.00 26.24 H +ATOM 10540 HB2 LYS B 137 171.037 193.181 219.616 1.00 35.23 H +ATOM 10541 HB3 LYS B 137 169.740 193.241 218.706 1.00 35.23 H +ATOM 10542 HG2 LYS B 137 170.781 195.069 218.060 1.00 31.69 H +ATOM 10543 HG3 LYS B 137 169.837 195.665 219.193 1.00 31.69 H +ATOM 10544 HD2 LYS B 137 171.521 195.902 220.623 1.00 39.58 H +ATOM 10545 HD3 LYS B 137 172.442 194.872 219.832 1.00 39.58 H +ATOM 10546 HE2 LYS B 137 172.681 196.449 218.109 1.00 32.75 H +ATOM 10547 HE3 LYS B 137 171.822 197.484 218.962 1.00 32.75 H +ATOM 10548 HZ1 LYS B 137 174.044 197.862 219.254 1.00 36.47 H +ATOM 10549 HZ2 LYS B 137 173.474 197.458 220.523 1.00 36.47 H +ATOM 10550 HZ3 LYS B 137 174.256 196.516 219.748 1.00 36.47 H +ATOM 10551 N SER B 138 167.253 192.398 220.321 1.00 22.94 N +ATOM 10552 CA SER B 138 166.375 191.246 220.211 1.00 22.95 C +ATOM 10553 C SER B 138 165.248 191.544 219.236 1.00 30.12 C +ATOM 10554 O SER B 138 164.929 192.707 218.977 1.00 24.06 O +ATOM 10555 CB SER B 138 165.803 190.872 221.574 1.00 25.94 C +ATOM 10556 OG SER B 138 164.994 191.915 222.075 1.00 28.09 O +ATOM 10557 H SER B 138 166.869 193.146 220.141 1.00 27.53 H +ATOM 10558 HA SER B 138 166.879 190.489 219.872 1.00 27.54 H +ATOM 10559 HB2 SER B 138 165.265 190.070 221.482 1.00 31.13 H +ATOM 10560 HB3 SER B 138 166.534 190.713 222.191 1.00 31.13 H +ATOM 10561 HG SER B 138 164.682 191.702 222.825 1.00 33.71 H +ATOM 10562 N TRP B 139 164.638 190.494 218.703 1.00 24.79 N +ATOM 10563 CA TRP B 139 163.550 190.678 217.762 1.00 23.90 C +ATOM 10564 C TRP B 139 162.311 191.239 218.451 1.00 25.08 C +ATOM 10565 O TRP B 139 161.523 191.951 217.832 1.00 22.11 O +ATOM 10566 CB TRP B 139 163.199 189.370 217.060 1.00 20.43 C +ATOM 10567 CG TRP B 139 162.351 189.631 215.872 1.00 22.82 C +ATOM 10568 CD1 TRP B 139 160.994 189.529 215.791 1.00 26.04 C +ATOM 10569 CD2 TRP B 139 162.797 190.089 214.595 1.00 17.39 C +ATOM 10570 NE1 TRP B 139 160.569 189.880 214.535 1.00 25.37 N +ATOM 10571 CE2 TRP B 139 161.658 190.228 213.781 1.00 26.36 C +ATOM 10572 CE3 TRP B 139 164.052 190.388 214.059 1.00 26.88 C +ATOM 10573 CZ2 TRP B 139 161.736 190.652 212.460 1.00 26.67 C +ATOM 10574 CZ3 TRP B 139 164.128 190.803 212.749 1.00 20.37 C +ATOM 10575 CH2 TRP B 139 162.977 190.933 211.963 1.00 25.53 C +ATOM 10576 H TRP B 139 164.834 189.673 218.868 1.00 29.74 H +ATOM 10577 HA TRP B 139 163.827 191.314 217.085 1.00 28.68 H +ATOM 10578 HB2 TRP B 139 164.013 188.932 216.766 1.00 24.51 H +ATOM 10579 HB3 TRP B 139 162.707 188.798 217.669 1.00 24.51 H +ATOM 10580 HD1 TRP B 139 160.437 189.258 216.486 1.00 31.25 H +ATOM 10581 HE1 TRP B 139 159.752 189.881 214.265 1.00 30.45 H +ATOM 10582 HE3 TRP B 139 164.820 190.304 214.575 1.00 32.25 H +ATOM 10583 HZ2 TRP B 139 160.974 190.736 211.933 1.00 32.01 H +ATOM 10584 HZ3 TRP B 139 164.958 191.005 212.382 1.00 24.44 H +ATOM 10585 HH2 TRP B 139 163.060 191.217 211.081 1.00 30.63 H +ATOM 10586 N GLU B 140 162.134 190.913 219.727 1.00 27.66 N +ATOM 10587 CA GLU B 140 161.020 191.453 220.494 1.00 28.51 C +ATOM 10588 C GLU B 140 161.154 192.968 220.608 1.00 25.89 C +ATOM 10589 O GLU B 140 160.191 193.701 220.398 1.00 18.29 O +ATOM 10590 CB GLU B 140 160.955 190.817 221.885 1.00 23.44 C +ATOM 10591 CG GLU B 140 159.771 191.268 222.736 1.00 23.64 C +ATOM 10592 CD GLU B 140 158.431 190.791 222.204 1.00 26.95 C +ATOM 10593 OE1 GLU B 140 158.391 189.772 221.484 1.00 31.02 O +ATOM 10594 OE2 GLU B 140 157.409 191.439 222.507 1.00 25.93 O +ATOM 10595 H GLU B 140 162.645 190.382 220.171 1.00 33.19 H +ATOM 10596 HA GLU B 140 160.190 191.256 220.032 1.00 34.21 H +ATOM 10597 HB2 GLU B 140 160.894 189.855 221.784 1.00 28.12 H +ATOM 10598 HB3 GLU B 140 161.766 191.043 222.367 1.00 28.12 H +ATOM 10599 HG2 GLU B 140 159.878 190.916 223.634 1.00 28.37 H +ATOM 10600 HG3 GLU B 140 159.754 192.238 222.762 1.00 28.37 H +ATOM 10601 N ALA B 141 162.356 193.429 220.934 1.00 17.70 N +ATOM 10602 CA ALA B 141 162.603 194.852 221.105 1.00 21.49 C +ATOM 10603 C ALA B 141 162.465 195.607 219.788 1.00 25.83 C +ATOM 10604 O ALA B 141 161.992 196.743 219.768 1.00 27.12 O +ATOM 10605 CB ALA B 141 163.981 195.083 221.702 1.00 22.85 C +ATOM 10606 H ALA B 141 163.048 192.934 221.062 1.00 21.24 H +ATOM 10607 HA ALA B 141 161.948 195.211 221.724 1.00 25.79 H +ATOM 10608 HB1 ALA B 141 164.123 196.037 221.807 1.00 27.42 H +ATOM 10609 HB2 ALA B 141 164.028 194.645 222.566 1.00 27.42 H +ATOM 10610 HB3 ALA B 141 164.649 194.712 221.105 1.00 27.42 H +ATOM 10611 N PHE B 142 162.875 194.982 218.690 1.00 19.35 N +ATOM 10612 CA PHE B 142 162.740 195.616 217.385 1.00 20.04 C +ATOM 10613 C PHE B 142 161.307 195.603 216.863 1.00 20.33 C +ATOM 10614 O PHE B 142 160.812 196.615 216.372 1.00 24.44 O +ATOM 10615 CB PHE B 142 163.628 194.944 216.339 1.00 23.13 C +ATOM 10616 CG PHE B 142 163.149 195.168 214.939 1.00 20.01 C +ATOM 10617 CD1 PHE B 142 163.307 196.402 214.332 1.00 21.57 C +ATOM 10618 CD2 PHE B 142 162.500 194.165 214.245 1.00 16.82 C +ATOM 10619 CE1 PHE B 142 162.844 196.623 213.053 1.00 20.56 C +ATOM 10620 CE2 PHE B 142 162.038 194.382 212.966 1.00 23.60 C +ATOM 10621 CZ PHE B 142 162.208 195.613 212.370 1.00 22.35 C +ATOM 10622 H PHE B 142 163.231 194.200 218.672 1.00 23.22 H +ATOM 10623 HA PHE B 142 163.019 196.542 217.459 1.00 24.05 H +ATOM 10624 HB2 PHE B 142 164.527 195.303 216.410 1.00 27.75 H +ATOM 10625 HB3 PHE B 142 163.640 193.988 216.502 1.00 27.75 H +ATOM 10626 HD1 PHE B 142 163.734 197.089 214.791 1.00 25.88 H +ATOM 10627 HD2 PHE B 142 162.379 193.333 214.643 1.00 20.18 H +ATOM 10628 HE1 PHE B 142 162.963 197.453 212.651 1.00 24.67 H +ATOM 10629 HE2 PHE B 142 161.609 193.697 212.504 1.00 28.32 H +ATOM 10630 HZ PHE B 142 161.900 195.757 211.504 1.00 26.82 H +ATOM 10631 N SER B 143 160.649 194.453 216.957 1.00 21.08 N +ATOM 10632 CA SER B 143 159.398 194.234 216.235 1.00 29.13 C +ATOM 10633 C SER B 143 158.149 194.746 216.953 1.00 21.10 C +ATOM 10634 O SER B 143 157.147 195.035 216.309 1.00 27.04 O +ATOM 10635 CB SER B 143 159.223 192.743 215.940 1.00 27.39 C +ATOM 10636 OG SER B 143 158.925 192.018 217.118 1.00 26.56 O +ATOM 10637 H SER B 143 160.905 193.783 217.431 1.00 25.30 H +ATOM 10638 HA SER B 143 159.452 194.695 215.383 1.00 34.96 H +ATOM 10639 HB2 SER B 143 158.495 192.631 215.309 1.00 32.86 H +ATOM 10640 HB3 SER B 143 160.046 192.399 215.558 1.00 32.86 H +ATOM 10641 HG SER B 143 159.549 192.105 217.674 1.00 31.87 H +ATOM 10642 N ASN B 144 158.205 194.850 218.276 1.00 23.89 N +ATOM 10643 CA ASN B 144 157.024 195.201 219.061 1.00 25.25 C +ATOM 10644 C ASN B 144 156.833 196.715 219.130 1.00 18.97 C +ATOM 10645 O ASN B 144 157.536 197.411 219.860 1.00 18.60 O +ATOM 10646 CB ASN B 144 157.132 194.602 220.466 1.00 21.04 C +ATOM 10647 CG ASN B 144 155.818 194.653 221.239 1.00 28.70 C +ATOM 10648 OD1 ASN B 144 154.978 195.524 221.020 1.00 24.93 O +ATOM 10649 ND2 ASN B 144 155.644 193.706 222.154 1.00 34.85 N +ATOM 10650 H ASN B 144 158.914 194.722 218.745 1.00 28.67 H +ATOM 10651 HA ASN B 144 156.240 194.822 218.635 1.00 30.30 H +ATOM 10652 HB2 ASN B 144 157.400 193.673 220.393 1.00 25.25 H +ATOM 10653 HB3 ASN B 144 157.795 195.099 220.970 1.00 25.25 H +ATOM 10654 HD21 ASN B 144 156.265 193.124 222.278 1.00 41.82 H +ATOM 10655 N LEU B 145 155.867 197.211 218.364 1.00 19.53 N +ATOM 10656 CA LEU B 145 155.658 198.647 218.208 1.00 23.24 C +ATOM 10657 C LEU B 145 154.965 199.292 219.412 1.00 28.02 C +ATOM 10658 O LEU B 145 154.847 200.513 219.480 1.00 28.69 O +ATOM 10659 CB LEU B 145 154.840 198.917 216.945 1.00 30.67 C +ATOM 10660 CG LEU B 145 155.433 198.424 215.620 1.00 32.17 C +ATOM 10661 CD1 LEU B 145 154.424 198.587 214.492 1.00 37.88 C +ATOM 10662 CD2 LEU B 145 156.719 199.161 215.288 1.00 29.10 C +ATOM 10663 H LEU B 145 155.311 196.730 217.917 1.00 23.43 H +ATOM 10664 HA LEU B 145 156.521 199.077 218.099 1.00 27.89 H +ATOM 10665 HB2 LEU B 145 153.975 198.491 217.048 1.00 36.81 H +ATOM 10666 HB3 LEU B 145 154.716 199.876 216.864 1.00 36.81 H +ATOM 10667 HG LEU B 145 155.641 197.480 215.700 1.00 38.61 H +ATOM 10668 HD11 LEU B 145 154.820 198.269 213.666 1.00 45.46 H +ATOM 10669 HD12 LEU B 145 153.631 198.069 214.700 1.00 45.46 H +ATOM 10670 HD13 LEU B 145 154.193 199.526 214.409 1.00 45.46 H +ATOM 10671 HD21 LEU B 145 157.067 198.826 214.447 1.00 34.92 H +ATOM 10672 HD22 LEU B 145 156.529 200.109 215.214 1.00 34.92 H +ATOM 10673 HD23 LEU B 145 157.363 199.007 215.997 1.00 34.92 H +ATOM 10674 N SER B 146 154.515 198.478 220.361 1.00 22.98 N +ATOM 10675 CA SER B 146 153.816 199.003 221.527 1.00 24.21 C +ATOM 10676 C SER B 146 154.785 199.637 222.518 1.00 23.35 C +ATOM 10677 O SER B 146 154.377 200.416 223.372 1.00 24.91 O +ATOM 10678 CB SER B 146 153.011 197.899 222.215 1.00 27.37 C +ATOM 10679 OG SER B 146 151.904 197.516 221.420 1.00 28.95 O +ATOM 10680 H SER B 146 154.600 197.623 220.353 1.00 27.57 H +ATOM 10681 HA SER B 146 153.195 199.689 221.238 1.00 29.05 H +ATOM 10682 HB2 SER B 146 153.584 197.129 222.351 1.00 32.84 H +ATOM 10683 HB3 SER B 146 152.688 198.228 223.068 1.00 32.84 H +ATOM 10684 HG SER B 146 151.470 196.910 221.806 1.00 34.74 H +ATOM 10685 N TYR B 147 156.064 199.292 222.406 1.00 22.98 N +ATOM 10686 CA TYR B 147 157.104 199.881 223.244 1.00 20.52 C +ATOM 10687 C TYR B 147 157.593 201.217 222.704 1.00 20.29 C +ATOM 10688 O TYR B 147 157.744 201.381 221.495 1.00 19.43 O +ATOM 10689 CB TYR B 147 158.324 198.962 223.338 1.00 25.35 C +ATOM 10690 CG TYR B 147 158.208 197.723 224.194 1.00 27.50 C +ATOM 10691 CD1 TYR B 147 158.678 197.715 225.500 1.00 33.98 C +ATOM 10692 CD2 TYR B 147 157.688 196.545 223.679 1.00 28.34 C +ATOM 10693 CE1 TYR B 147 158.604 196.574 226.280 1.00 33.99 C +ATOM 10694 CE2 TYR B 147 157.609 195.401 224.451 1.00 34.41 C +ATOM 10695 CZ TYR B 147 158.071 195.421 225.751 1.00 32.97 C +ATOM 10696 OH TYR B 147 157.998 194.285 226.524 1.00 29.32 O +ATOM 10697 H TYR B 147 156.359 198.712 221.844 1.00 27.58 H +ATOM 10698 HA TYR B 147 156.755 200.021 224.138 1.00 24.63 H +ATOM 10699 HB2 TYR B 147 158.545 198.667 222.442 1.00 30.41 H +ATOM 10700 HB3 TYR B 147 159.062 199.482 223.692 1.00 30.41 H +ATOM 10701 HD1 TYR B 147 159.041 198.492 225.860 1.00 40.77 H +ATOM 10702 HD2 TYR B 147 157.378 196.527 222.803 1.00 34.01 H +ATOM 10703 HE1 TYR B 147 158.914 196.586 227.157 1.00 40.79 H +ATOM 10704 HE2 TYR B 147 157.250 194.621 224.095 1.00 41.29 H +ATOM 10705 HH TYR B 147 158.311 194.438 227.289 1.00 35.18 H +ATOM 10706 N TYR B 148 157.863 202.159 223.601 1.00 21.55 N +ATOM 10707 CA TYR B 148 158.800 203.225 223.289 1.00 16.50 C +ATOM 10708 C TYR B 148 160.167 202.570 223.130 1.00 21.74 C +ATOM 10709 O TYR B 148 160.497 201.649 223.877 1.00 27.80 O +ATOM 10710 CB TYR B 148 158.862 204.282 224.391 1.00 18.56 C +ATOM 10711 CG TYR B 148 157.675 205.210 224.488 1.00 29.04 C +ATOM 10712 CD1 TYR B 148 157.367 206.093 223.463 1.00 21.83 C +ATOM 10713 CD2 TYR B 148 156.888 205.232 225.631 1.00 26.56 C +ATOM 10714 CE1 TYR B 148 156.292 206.952 223.565 1.00 28.13 C +ATOM 10715 CE2 TYR B 148 155.817 206.086 225.741 1.00 27.61 C +ATOM 10716 CZ TYR B 148 155.523 206.947 224.710 1.00 29.02 C +ATOM 10717 OH TYR B 148 154.449 207.797 224.827 1.00 29.09 O +ATOM 10718 H TYR B 148 157.521 202.202 224.388 1.00 25.86 H +ATOM 10719 HA TYR B 148 158.553 203.651 222.454 1.00 19.80 H +ATOM 10720 HB2 TYR B 148 158.945 203.829 225.244 1.00 22.27 H +ATOM 10721 HB3 TYR B 148 159.646 204.833 224.241 1.00 22.27 H +ATOM 10722 HD1 TYR B 148 157.886 206.098 222.691 1.00 26.20 H +ATOM 10723 HD2 TYR B 148 157.085 204.654 226.332 1.00 31.87 H +ATOM 10724 HE1 TYR B 148 156.090 207.535 222.869 1.00 33.75 H +ATOM 10725 HE2 TYR B 148 155.296 206.084 226.511 1.00 33.13 H +ATOM 10726 HH TYR B 148 154.075 207.686 225.571 1.00 34.91 H +ATOM 10727 N THR B 149 160.962 203.029 222.171 1.00 19.70 N +ATOM 10728 CA THR B 149 162.316 202.508 222.015 1.00 20.42 C +ATOM 10729 C THR B 149 163.253 203.269 222.951 1.00 17.62 C +ATOM 10730 O THR B 149 162.829 204.200 223.631 1.00 19.22 O +ATOM 10731 CB THR B 149 162.798 202.600 220.548 1.00 18.85 C +ATOM 10732 OG1 THR B 149 163.929 201.742 220.350 1.00 24.19 O +ATOM 10733 CG2 THR B 149 163.142 204.035 220.158 1.00 17.87 C +ATOM 10734 H THR B 149 160.745 203.636 221.603 1.00 23.65 H +ATOM 10735 HA THR B 149 162.326 201.574 222.275 1.00 24.51 H +ATOM 10736 HB THR B 149 162.080 202.303 219.967 1.00 22.62 H +ATOM 10737 HG1 THR B 149 164.557 201.972 220.859 1.00 29.02 H +ATOM 10738 HG21 THR B 149 163.440 204.065 219.235 1.00 21.45 H +ATOM 10739 HG22 THR B 149 162.360 204.601 220.255 1.00 21.45 H +ATOM 10740 HG23 THR B 149 163.849 204.373 220.729 1.00 21.45 H +ATOM 10741 N ARG B 150 164.515 202.856 222.997 1.00 23.38 N +ATOM 10742 CA ARG B 150 165.482 203.427 223.927 1.00 26.11 C +ATOM 10743 C ARG B 150 166.817 203.763 223.269 1.00 23.07 C +ATOM 10744 O ARG B 150 167.386 202.956 222.535 1.00 26.35 O +ATOM 10745 CB ARG B 150 165.711 202.459 225.087 1.00 22.28 C +ATOM 10746 CG ARG B 150 164.541 202.372 226.042 1.00 17.93 C +ATOM 10747 CD ARG B 150 164.507 203.571 226.969 1.00 22.72 C +ATOM 10748 NE ARG B 150 165.484 203.438 228.045 1.00 29.85 N +ATOM 10749 CZ ARG B 150 165.253 202.819 229.198 1.00 25.68 C +ATOM 10750 NH1 ARG B 150 164.070 202.272 229.445 1.00 24.19 N +ATOM 10751 NH2 ARG B 150 166.209 202.745 230.112 1.00 27.03 N +ATOM 10752 H ARG B 150 164.840 202.239 222.493 1.00 28.05 H +ATOM 10753 HA ARG B 150 165.117 204.248 224.293 1.00 31.33 H +ATOM 10754 HB2 ARG B 150 165.870 201.572 224.729 1.00 26.74 H +ATOM 10755 HB3 ARG B 150 166.486 202.753 225.592 1.00 26.74 H +ATOM 10756 HG2 ARG B 150 163.714 202.353 225.536 1.00 21.51 H +ATOM 10757 HG3 ARG B 150 164.625 201.570 226.581 1.00 21.51 H +ATOM 10758 HD2 ARG B 150 164.717 204.373 226.465 1.00 27.26 H +ATOM 10759 HD3 ARG B 150 163.625 203.645 227.366 1.00 27.26 H +ATOM 10760 HE ARG B 150 166.262 203.784 227.925 1.00 35.82 H +ATOM 10761 HH11 ARG B 150 163.445 202.315 228.855 1.00 29.03 H +ATOM 10762 HH12 ARG B 150 163.928 201.874 230.194 1.00 29.03 H +ATOM 10763 HH21 ARG B 150 166.977 203.099 229.959 1.00 32.44 H +ATOM 10764 HH22 ARG B 150 166.059 202.348 230.860 1.00 32.44 H +ATOM 10765 N ALA B 151 167.305 204.969 223.541 1.00 20.89 N +ATOM 10766 CA ALA B 151 168.586 205.421 223.022 1.00 27.47 C +ATOM 10767 C ALA B 151 169.719 204.767 223.799 1.00 29.20 C +ATOM 10768 O ALA B 151 170.745 204.398 223.226 1.00 32.73 O +ATOM 10769 CB ALA B 151 168.689 206.934 223.097 1.00 25.45 C +ATOM 10770 H ALA B 151 166.906 205.550 224.033 1.00 25.07 H +ATOM 10771 HA ALA B 151 168.664 205.157 222.091 1.00 32.96 H +ATOM 10772 HB1 ALA B 151 169.550 207.210 222.746 1.00 30.54 H +ATOM 10773 HB2 ALA B 151 167.975 207.326 222.570 1.00 30.54 H +ATOM 10774 HB3 ALA B 151 168.606 207.210 224.024 1.00 30.54 H +ATOM 10775 N LEU B 152 169.526 204.635 225.108 1.00 22.59 N +ATOM 10776 CA LEU B 152 170.434 203.866 225.951 1.00 30.34 C +ATOM 10777 C LEU B 152 169.687 202.687 226.558 1.00 29.59 C +ATOM 10778 O LEU B 152 168.531 202.825 226.957 1.00 26.07 O +ATOM 10779 CB LEU B 152 171.035 204.736 227.058 1.00 32.20 C +ATOM 10780 CG LEU B 152 172.259 205.588 226.704 1.00 31.37 C +ATOM 10781 CD1 LEU B 152 172.667 206.438 227.898 1.00 26.73 C +ATOM 10782 CD2 LEU B 152 173.431 204.724 226.243 1.00 28.30 C +ATOM 10783 H LEU B 152 168.868 204.985 225.536 1.00 27.11 H +ATOM 10784 HA LEU B 152 171.160 203.520 225.408 1.00 36.41 H +ATOM 10785 HB2 LEU B 152 170.346 205.345 227.368 1.00 38.64 H +ATOM 10786 HB3 LEU B 152 171.297 204.154 227.788 1.00 38.64 H +ATOM 10787 HG LEU B 152 172.026 206.187 225.977 1.00 37.64 H +ATOM 10788 HD11 LEU B 152 173.442 206.969 227.656 1.00 32.07 H +ATOM 10789 HD12 LEU B 152 171.929 207.018 228.138 1.00 32.07 H +ATOM 10790 HD13 LEU B 152 172.885 205.853 228.641 1.00 32.07 H +ATOM 10791 HD21 LEU B 152 174.182 205.299 226.030 1.00 33.96 H +ATOM 10792 HD22 LEU B 152 173.673 204.115 226.958 1.00 33.96 H +ATOM 10793 HD23 LEU B 152 173.163 204.223 225.457 1.00 33.96 H +ATOM 10794 N PRO B 153 170.340 201.517 226.628 1.00 31.87 N +ATOM 10795 CA PRO B 153 169.654 200.352 227.193 1.00 30.41 C +ATOM 10796 C PRO B 153 169.339 200.536 228.674 1.00 30.75 C +ATOM 10797 O PRO B 153 170.011 201.323 229.340 1.00 31.09 O +ATOM 10798 CB PRO B 153 170.659 199.213 226.982 1.00 31.41 C +ATOM 10799 CG PRO B 153 171.986 199.885 226.872 1.00 31.00 C +ATOM 10800 CD PRO B 153 171.718 201.202 226.214 1.00 31.04 C +ATOM 10801 HA PRO B 153 168.838 200.163 226.705 1.00 36.49 H +ATOM 10802 HB2 PRO B 153 170.639 198.614 227.745 1.00 37.69 H +ATOM 10803 HB3 PRO B 153 170.446 198.737 226.165 1.00 37.69 H +ATOM 10804 HG2 PRO B 153 172.360 200.015 227.757 1.00 37.20 H +ATOM 10805 HG3 PRO B 153 172.580 199.345 226.326 1.00 37.20 H +ATOM 10806 HD2 PRO B 153 172.333 201.876 226.544 1.00 37.25 H +ATOM 10807 HD3 PRO B 153 171.770 201.115 225.249 1.00 37.25 H +ATOM 10808 N PRO B 154 168.322 199.824 229.184 1.00 30.55 N +ATOM 10809 CA PRO B 154 168.015 199.877 230.616 1.00 40.36 C +ATOM 10810 C PRO B 154 169.163 199.368 231.470 1.00 42.10 C +ATOM 10811 O PRO B 154 169.942 198.527 231.021 1.00 43.12 O +ATOM 10812 CB PRO B 154 166.791 198.964 230.751 1.00 26.95 C +ATOM 10813 CG PRO B 154 166.836 198.084 229.556 1.00 37.76 C +ATOM 10814 CD PRO B 154 167.405 198.927 228.464 1.00 34.72 C +ATOM 10815 HA PRO B 154 167.781 200.780 230.884 1.00 48.43 H +ATOM 10816 HB2 PRO B 154 166.860 198.441 231.565 1.00 32.35 H +ATOM 10817 HB3 PRO B 154 165.982 199.499 230.753 1.00 32.35 H +ATOM 10818 HG2 PRO B 154 167.408 197.321 229.733 1.00 45.31 H +ATOM 10819 HG3 PRO B 154 165.938 197.793 229.331 1.00 45.31 H +ATOM 10820 HD2 PRO B 154 167.894 198.378 227.831 1.00 41.67 H +ATOM 10821 HD3 PRO B 154 166.704 199.436 228.028 1.00 41.67 H +ATOM 10822 N VAL B 155 169.266 199.881 232.687 1.00 49.91 N +ATOM 10823 CA VAL B 155 170.234 199.369 233.643 1.00 48.11 C +ATOM 10824 C VAL B 155 169.837 197.932 233.975 1.00 45.15 C +ATOM 10825 O VAL B 155 168.660 197.662 234.203 1.00 48.90 O +ATOM 10826 CB VAL B 155 170.282 200.222 234.923 1.00 44.26 C +ATOM 10827 CG1 VAL B 155 171.362 199.715 235.866 1.00 55.93 C +ATOM 10828 CG2 VAL B 155 170.528 201.682 234.575 1.00 36.52 C +ATOM 10829 H VAL B 155 168.785 200.529 232.985 1.00 59.89 H +ATOM 10830 HA VAL B 155 171.117 199.362 233.242 1.00 57.74 H +ATOM 10831 HB VAL B 155 169.429 200.160 235.379 1.00 53.11 H +ATOM 10832 HG11 VAL B 155 171.371 200.268 236.662 1.00 67.12 H +ATOM 10833 HG12 VAL B 155 171.166 198.795 236.104 1.00 67.12 H +ATOM 10834 HG13 VAL B 155 172.221 199.764 235.417 1.00 67.12 H +ATOM 10835 HG21 VAL B 155 170.555 202.201 235.394 1.00 43.82 H +ATOM 10836 HG22 VAL B 155 171.375 201.757 234.107 1.00 43.82 H +ATOM 10837 HG23 VAL B 155 169.807 201.996 234.007 1.00 43.82 H +ATOM 10838 N PRO B 156 170.804 196.997 233.981 1.00 42.93 N +ATOM 10839 CA PRO B 156 170.468 195.605 234.310 1.00 56.70 C +ATOM 10840 C PRO B 156 169.768 195.465 235.664 1.00 65.41 C +ATOM 10841 O PRO B 156 169.994 196.275 236.562 1.00 62.54 O +ATOM 10842 CB PRO B 156 171.832 194.912 234.319 1.00 62.50 C +ATOM 10843 CG PRO B 156 172.662 195.722 233.393 1.00 49.03 C +ATOM 10844 CD PRO B 156 172.214 197.136 233.574 1.00 44.39 C +ATOM 10845 HA PRO B 156 169.912 195.216 233.616 1.00 68.04 H +ATOM 10846 HB2 PRO B 156 172.201 194.925 235.216 1.00 75.00 H +ATOM 10847 HB3 PRO B 156 171.741 194.002 233.995 1.00 75.00 H +ATOM 10848 HG2 PRO B 156 173.598 195.628 233.631 1.00 58.84 H +ATOM 10849 HG3 PRO B 156 172.511 195.430 232.481 1.00 58.84 H +ATOM 10850 HD2 PRO B 156 172.727 197.567 234.275 1.00 53.27 H +ATOM 10851 HD3 PRO B 156 172.277 197.621 232.736 1.00 53.27 H +ATOM 10852 N ASP B 157 168.924 194.446 235.795 1.00 58.11 N +ATOM 10853 CA ASP B 157 168.105 194.264 236.991 1.00 80.78 C +ATOM 10854 C ASP B 157 168.930 194.070 238.263 1.00 89.47 C +ATOM 10855 O ASP B 157 168.525 194.501 239.343 1.00 61.39 O +ATOM 10856 CB ASP B 157 167.173 193.062 236.807 1.00 80.58 C +ATOM 10857 CG ASP B 157 165.915 193.408 236.033 1.00 88.98 C +ATOM 10858 OD1 ASP B 157 165.922 194.413 235.292 1.00 83.29 O +ATOM 10859 OD2 ASP B 157 164.916 192.668 236.165 1.00 88.67 O +ATOM 10860 H ASP B 157 168.806 193.839 235.198 1.00 69.73 H +ATOM 10861 HA ASP B 157 167.552 195.052 237.114 1.00 96.94 H +ATOM 10862 HB2 ASP B 157 167.644 192.369 236.319 1.00 96.69 H +ATOM 10863 HB3 ASP B 157 166.907 192.732 237.679 1.00 96.69 H +ATOM 10864 N ASP B 158 170.086 193.429 238.126 1.00 73.87 N +ATOM 10865 CA ASP B 158 170.877 193.001 239.279 1.00 65.90 C +ATOM 10866 C ASP B 158 172.150 193.826 239.464 1.00 72.20 C +ATOM 10867 O ASP B 158 173.253 193.277 239.479 1.00 84.61 O +ATOM 10868 CB ASP B 158 171.243 191.522 239.135 1.00 83.71 C +ATOM 10869 CG ASP B 158 172.003 191.234 237.855 1.00 94.60 C +ATOM 10870 OD1 ASP B 158 171.707 191.883 236.829 1.00 93.92 O +ATOM 10871 OD2 ASP B 158 172.901 190.367 237.877 1.00 99.60 O +ATOM 10872 H ASP B 158 170.439 193.226 237.369 1.00 88.64 H +ATOM 10873 HA ASP B 158 170.340 193.099 240.081 1.00 79.08 H +ATOM 10874 HB2 ASP B 158 171.802 191.260 239.883 1.00100.46 H +ATOM 10875 HB3 ASP B 158 170.429 190.994 239.126 1.00100.46 H +ATOM 10876 N CYS B 159 171.997 195.136 239.623 1.00 66.14 N +ATOM 10877 CA CYS B 159 173.144 196.021 239.799 1.00 60.04 C +ATOM 10878 C CYS B 159 173.263 196.490 241.248 1.00 55.48 C +ATOM 10879 O CYS B 159 172.267 196.548 241.969 1.00 52.29 O +ATOM 10880 CB CYS B 159 173.035 197.220 238.858 1.00 68.33 C +ATOM 10881 SG CYS B 159 173.158 196.784 237.108 1.00 59.36 S +ATOM 10882 H CYS B 159 171.237 195.539 239.633 1.00 79.37 H +ATOM 10883 HA CYS B 159 173.953 195.536 239.574 1.00 72.05 H +ATOM 10884 HB2 CYS B 159 172.177 197.651 238.998 1.00 81.99 H +ATOM 10885 HB3 CYS B 159 173.752 197.842 239.060 1.00 81.99 H +ATOM 10886 N PRO B 160 174.489 196.822 241.685 1.00 52.03 N +ATOM 10887 CA PRO B 160 174.708 197.257 243.071 1.00 50.53 C +ATOM 10888 C PRO B 160 174.033 198.588 243.407 1.00 52.25 C +ATOM 10889 O PRO B 160 173.768 198.847 244.579 1.00 68.74 O +ATOM 10890 CB PRO B 160 176.236 197.373 243.168 1.00 47.91 C +ATOM 10891 CG PRO B 160 176.716 197.479 241.774 1.00 41.26 C +ATOM 10892 CD PRO B 160 175.751 196.715 240.935 1.00 51.22 C +ATOM 10893 HA PRO B 160 174.399 196.576 243.690 1.00 60.64 H +ATOM 10894 HB2 PRO B 160 176.470 198.169 243.671 1.00 57.49 H +ATOM 10895 HB3 PRO B 160 176.596 196.580 243.595 1.00 57.49 H +ATOM 10896 HG2 PRO B 160 176.732 198.411 241.508 1.00 49.51 H +ATOM 10897 HG3 PRO B 160 177.603 197.091 241.708 1.00 49.51 H +ATOM 10898 HD2 PRO B 160 175.661 197.128 240.061 1.00 61.46 H +ATOM 10899 HD3 PRO B 160 176.024 195.787 240.863 1.00 61.46 H +ATOM 10900 N THR B 161 173.770 199.417 242.399 1.00 57.52 N +ATOM 10901 CA THR B 161 172.979 200.629 242.588 1.00 51.01 C +ATOM 10902 C THR B 161 171.968 200.731 241.452 1.00 52.25 C +ATOM 10903 O THR B 161 172.166 200.135 240.395 1.00 55.58 O +ATOM 10904 CB THR B 161 173.849 201.905 242.624 1.00 54.34 C +ATOM 10905 OG1 THR B 161 174.169 202.313 241.289 1.00 52.02 O +ATOM 10906 CG2 THR B 161 175.132 201.671 243.410 1.00 58.13 C +ATOM 10907 H THR B 161 174.041 199.299 241.592 1.00 69.03 H +ATOM 10908 HA THR B 161 172.493 200.568 243.425 1.00 61.21 H +ATOM 10909 HB THR B 161 173.353 202.614 243.062 1.00 65.21 H +ATOM 10910 HG1 THR B 161 174.642 203.007 241.306 1.00 62.43 H +ATOM 10911 HG21 THR B 161 175.666 202.481 243.423 1.00 69.76 H +ATOM 10912 HG22 THR B 161 174.920 201.419 244.323 1.00 69.76 H +ATOM 10913 HG23 THR B 161 175.648 200.960 242.999 1.00 69.76 H +ATOM 10914 N PRO B 162 170.871 201.474 241.666 1.00 55.15 N +ATOM 10915 CA PRO B 162 169.823 201.548 240.640 1.00 68.31 C +ATOM 10916 C PRO B 162 170.284 202.140 239.306 1.00 54.56 C +ATOM 10917 O PRO B 162 169.599 201.946 238.303 1.00 58.14 O +ATOM 10918 CB PRO B 162 168.753 202.441 241.289 1.00 63.81 C +ATOM 10919 CG PRO B 162 169.404 203.077 242.467 1.00 56.19 C +ATOM 10920 CD PRO B 162 170.473 202.150 242.912 1.00 50.46 C +ATOM 10921 HA PRO B 162 169.448 200.667 240.483 1.00 81.97 H +ATOM 10922 HB2 PRO B 162 168.465 203.116 240.653 1.00 76.57 H +ATOM 10923 HB3 PRO B 162 168.001 201.895 241.569 1.00 76.57 H +ATOM 10924 HG2 PRO B 162 169.784 203.930 242.204 1.00 67.42 H +ATOM 10925 HG3 PRO B 162 168.748 203.201 243.170 1.00 67.42 H +ATOM 10926 HD2 PRO B 162 171.220 202.646 243.282 1.00 60.55 H +ATOM 10927 HD3 PRO B 162 170.121 201.507 243.548 1.00 60.55 H +ATOM 10928 N LEU B 163 171.418 202.837 239.289 1.00 51.04 N +ATOM 10929 CA LEU B 163 171.932 203.440 238.058 1.00 49.70 C +ATOM 10930 C LEU B 163 173.157 202.709 237.515 1.00 41.37 C +ATOM 10931 O LEU B 163 173.722 203.109 236.501 1.00 35.94 O +ATOM 10932 CB LEU B 163 172.271 204.915 238.289 1.00 43.81 C +ATOM 10933 CG LEU B 163 171.083 205.859 238.503 1.00 44.53 C +ATOM 10934 CD1 LEU B 163 171.573 207.271 238.767 1.00 45.59 C +ATOM 10935 CD2 LEU B 163 170.145 205.843 237.307 1.00 47.78 C +ATOM 10936 H LEU B 163 171.911 202.976 239.980 1.00 61.25 H +ATOM 10937 HA LEU B 163 171.239 203.399 237.379 1.00 59.64 H +ATOM 10938 HB2 LEU B 163 172.834 204.978 239.077 1.00 52.57 H +ATOM 10939 HB3 LEU B 163 172.761 205.239 237.517 1.00 52.57 H +ATOM 10940 HG LEU B 163 170.582 205.565 239.280 1.00 53.43 H +ATOM 10941 HD11 LEU B 163 170.807 207.851 238.899 1.00 54.71 H +ATOM 10942 HD12 LEU B 163 172.128 207.269 239.562 1.00 54.71 H +ATOM 10943 HD13 LEU B 163 172.090 207.573 238.004 1.00 54.71 H +ATOM 10944 HD21 LEU B 163 169.408 206.449 237.477 1.00 57.33 H +ATOM 10945 HD22 LEU B 163 170.634 206.129 236.520 1.00 57.33 H +ATOM 10946 HD23 LEU B 163 169.811 204.941 237.181 1.00 57.33 H +ATOM 10947 N GLY B 164 173.554 201.634 238.185 1.00 49.86 N +ATOM 10948 CA GLY B 164 174.712 200.860 237.778 1.00 56.21 C +ATOM 10949 C GLY B 164 175.625 200.580 238.953 1.00 53.48 C +ATOM 10950 O GLY B 164 175.479 199.565 239.630 1.00 58.45 O +ATOM 10951 H GLY B 164 173.162 201.330 238.888 1.00 59.83 H +ATOM 10952 HA2 GLY B 164 174.425 200.015 237.399 1.00 67.45 H +ATOM 10953 HA3 GLY B 164 175.212 201.349 237.106 1.00 67.45 H +ATOM 10954 N VAL B 165 176.567 201.486 239.198 1.00 51.78 N +ATOM 10955 CA VAL B 165 177.476 201.362 240.332 1.00 52.19 C +ATOM 10956 C VAL B 165 177.676 202.692 241.058 1.00 54.08 C +ATOM 10957 O VAL B 165 178.170 202.717 242.184 1.00 64.27 O +ATOM 10958 CB VAL B 165 178.850 200.817 239.892 1.00 40.15 C +ATOM 10959 CG1 VAL B 165 178.708 199.406 239.337 1.00 36.83 C +ATOM 10960 CG2 VAL B 165 179.490 201.734 238.865 1.00 43.56 C +ATOM 10961 H VAL B 165 176.702 202.187 238.717 1.00 62.14 H +ATOM 10962 HA VAL B 165 177.097 200.733 240.967 1.00 62.63 H +ATOM 10963 HB VAL B 165 179.436 200.777 240.664 1.00 48.18 H +ATOM 10964 HG11 VAL B 165 179.582 199.084 239.067 1.00 44.20 H +ATOM 10965 HG12 VAL B 165 178.341 198.832 240.027 1.00 44.20 H +ATOM 10966 HG13 VAL B 165 178.112 199.427 238.572 1.00 44.20 H +ATOM 10967 HG21 VAL B 165 180.350 201.368 238.607 1.00 52.27 H +ATOM 10968 HG22 VAL B 165 178.909 201.793 238.090 1.00 52.27 H +ATOM 10969 HG23 VAL B 165 179.608 202.613 239.257 1.00 52.27 H +ATOM 10970 N LYS B 166 177.290 203.790 240.416 1.00 51.06 N +ATOM 10971 CA LYS B 166 177.423 205.114 241.015 1.00 42.95 C +ATOM 10972 C LYS B 166 176.211 205.467 241.873 1.00 44.37 C +ATOM 10973 O LYS B 166 175.118 204.942 241.671 1.00 41.93 O +ATOM 10974 CB LYS B 166 177.609 206.182 239.928 1.00 51.35 C +ATOM 10975 CG LYS B 166 178.837 205.998 239.043 1.00 49.81 C +ATOM 10976 CD LYS B 166 180.070 205.627 239.854 1.00 52.55 C +ATOM 10977 CE LYS B 166 181.344 206.154 239.225 1.00 51.92 C +ATOM 10978 NZ LYS B 166 181.648 207.529 239.708 1.00 73.22 N +ATOM 10979 H LYS B 166 176.947 203.796 239.628 1.00 61.28 H +ATOM 10980 HA LYS B 166 178.208 205.126 241.584 1.00 51.54 H +ATOM 10981 HB2 LYS B 166 176.830 206.172 239.350 1.00 61.62 H +ATOM 10982 HB3 LYS B 166 177.685 207.048 240.357 1.00 61.62 H +ATOM 10983 HG2 LYS B 166 178.668 205.287 238.406 1.00 59.77 H +ATOM 10984 HG3 LYS B 166 179.021 206.829 238.577 1.00 59.77 H +ATOM 10985 HD2 LYS B 166 179.993 206.006 240.743 1.00 63.06 H +ATOM 10986 HD3 LYS B 166 180.137 204.661 239.907 1.00 63.06 H +ATOM 10987 HE2 LYS B 166 182.085 205.575 239.465 1.00 62.30 H +ATOM 10988 HE3 LYS B 166 181.239 206.185 238.261 1.00 62.30 H +ATOM 10989 HZ1 LYS B 166 182.397 207.825 239.330 1.00 87.86 H +ATOM 10990 HZ2 LYS B 166 180.981 208.079 239.496 1.00 87.86 H +ATOM 10991 HZ3 LYS B 166 181.751 207.525 240.592 1.00 87.86 H +ATOM 10992 N GLY B 167 176.422 206.363 242.831 1.00 56.32 N +ATOM 10993 CA GLY B 167 175.352 206.836 243.688 1.00 52.37 C +ATOM 10994 C GLY B 167 175.056 205.892 244.836 1.00 66.12 C +ATOM 10995 O GLY B 167 175.629 204.805 244.927 1.00 60.81 O +ATOM 10996 H GLY B 167 177.187 206.715 243.003 1.00 67.59 H +ATOM 10997 HA2 GLY B 167 175.595 207.700 244.058 1.00 62.84 H +ATOM 10998 HA3 GLY B 167 174.543 206.944 243.164 1.00 62.84 H +ATOM 10999 N LYS B 168 174.153 206.311 245.716 1.00 80.21 N +ATOM 11000 CA LYS B 168 173.767 205.511 246.871 1.00 62.07 C +ATOM 11001 C LYS B 168 172.952 204.294 246.444 1.00 53.22 C +ATOM 11002 O LYS B 168 172.651 204.122 245.264 1.00 59.41 O +ATOM 11003 CB LYS B 168 172.969 206.359 247.863 1.00 59.73 C +ATOM 11004 CG LYS B 168 173.684 207.625 248.309 1.00 48.13 C +ATOM 11005 H LYS B 168 173.744 207.066 245.665 1.00 96.26 H +ATOM 11006 HA LYS B 168 174.567 205.196 247.320 1.00 74.49 H +ATOM 11007 HB2 LYS B 168 172.133 206.622 247.446 1.00 71.68 H +ATOM 11008 HB3 LYS B 168 172.788 205.826 248.653 1.00 71.68 H +ATOM 11009 N LYS B 169 172.599 203.453 247.411 1.00 52.89 N +ATOM 11010 CA LYS B 169 171.846 202.234 247.132 1.00 50.37 C +ATOM 11011 C LYS B 169 170.398 202.549 246.760 1.00 52.90 C +ATOM 11012 O LYS B 169 169.751 201.781 246.051 1.00 45.94 O +ATOM 11013 CB LYS B 169 171.883 201.296 248.340 1.00 49.26 C +ATOM 11014 H LYS B 169 172.784 203.566 248.244 1.00 63.47 H +ATOM 11015 HA LYS B 169 172.255 201.775 246.382 1.00 60.44 H +ATOM 11016 N GLN B 170 169.897 203.675 247.260 1.00 52.54 N +ATOM 11017 CA GLN B 170 168.560 204.154 246.921 1.00 56.45 C +ATOM 11018 C GLN B 170 168.632 205.578 246.392 1.00 63.53 C +ATOM 11019 O GLN B 170 169.378 206.407 246.913 1.00 62.27 O +ATOM 11020 CB GLN B 170 167.631 204.097 248.136 1.00 53.34 C +ATOM 11021 CG GLN B 170 167.259 202.679 248.572 1.00 71.99 C +ATOM 11022 CD GLN B 170 167.751 202.316 249.965 1.00 94.64 C +ATOM 11023 OE1 GLN B 170 168.583 203.009 250.552 1.00 81.19 O +ATOM 11024 NE2 GLN B 170 167.234 201.214 250.501 1.00 92.62 N +ATOM 11025 H GLN B 170 170.319 204.188 247.807 1.00 63.05 H +ATOM 11026 HA GLN B 170 168.185 203.591 246.226 1.00 67.74 H +ATOM 11027 HB2 GLN B 170 168.069 204.531 248.884 1.00 64.00 H +ATOM 11028 HB3 GLN B 170 166.809 204.565 247.921 1.00 64.00 H +ATOM 11029 HG2 GLN B 170 166.293 202.594 248.567 1.00 86.39 H +ATOM 11030 HG3 GLN B 170 167.649 202.048 247.946 1.00 86.39 H +ATOM 11031 HE21 GLN B 170 166.656 200.753 250.063 1.00111.14 H +ATOM 11032 HE22 GLN B 170 167.477 200.963 251.287 1.00111.14 H +ATOM 11033 N LEU B 171 167.856 205.856 245.351 1.00 76.94 N +ATOM 11034 CA LEU B 171 167.808 207.192 244.775 1.00 68.43 C +ATOM 11035 C LEU B 171 167.077 208.148 245.712 1.00 51.93 C +ATOM 11036 O LEU B 171 166.321 207.711 246.578 1.00 54.09 O +ATOM 11037 CB LEU B 171 167.125 207.158 243.407 1.00 65.10 C +ATOM 11038 CG LEU B 171 167.895 206.411 242.316 1.00 63.42 C +ATOM 11039 CD1 LEU B 171 166.996 206.132 241.123 1.00 52.94 C +ATOM 11040 CD2 LEU B 171 169.122 207.204 241.887 1.00 49.62 C +ATOM 11041 H LEU B 171 167.346 205.285 244.959 1.00 92.33 H +ATOM 11042 HA LEU B 171 168.713 207.520 244.654 1.00 82.12 H +ATOM 11043 HB2 LEU B 171 166.262 206.725 243.504 1.00 78.12 H +ATOM 11044 HB3 LEU B 171 166.999 208.070 243.103 1.00 78.12 H +ATOM 11045 HG LEU B 171 168.197 205.560 242.669 1.00 76.10 H +ATOM 11046 HD11 LEU B 171 167.507 205.659 240.447 1.00 63.53 H +ATOM 11047 HD12 LEU B 171 166.247 205.589 241.413 1.00 63.53 H +ATOM 11048 HD13 LEU B 171 166.676 206.975 240.766 1.00 63.53 H +ATOM 11049 HD21 LEU B 171 169.591 206.710 241.196 1.00 59.55 H +ATOM 11050 HD22 LEU B 171 168.837 208.065 241.543 1.00 59.55 H +ATOM 11051 HD23 LEU B 171 169.701 207.330 242.655 1.00 59.55 H +ATOM 11052 N PRO B 172 167.301 209.460 245.543 1.00 45.46 N +ATOM 11053 CA PRO B 172 166.623 210.447 246.391 1.00 43.61 C +ATOM 11054 C PRO B 172 165.106 210.365 246.277 1.00 53.08 C +ATOM 11055 O PRO B 172 164.589 209.949 245.241 1.00 59.13 O +ATOM 11056 CB PRO B 172 167.126 211.790 245.853 1.00 45.30 C +ATOM 11057 CG PRO B 172 168.327 211.480 245.045 1.00 46.68 C +ATOM 11058 CD PRO B 172 168.182 210.091 244.547 1.00 52.45 C +ATOM 11059 HA PRO B 172 166.889 210.345 247.318 1.00 52.34 H +ATOM 11060 HB2 PRO B 172 166.439 212.197 245.302 1.00 54.36 H +ATOM 11061 HB3 PRO B 172 167.356 212.371 246.595 1.00 54.36 H +ATOM 11062 HG2 PRO B 172 168.380 212.099 244.301 1.00 56.01 H +ATOM 11063 HG3 PRO B 172 169.116 211.556 245.603 1.00 56.01 H +ATOM 11064 HD2 PRO B 172 167.762 210.087 243.673 1.00 62.94 H +ATOM 11065 HD3 PRO B 172 169.045 209.647 244.529 1.00 62.94 H +ATOM 11066 N ASP B 173 164.408 210.764 247.333 1.00 52.15 N +ATOM 11067 CA ASP B 173 162.952 210.803 247.315 1.00 55.14 C +ATOM 11068 C ASP B 173 162.469 211.712 246.187 1.00 53.96 C +ATOM 11069 O ASP B 173 162.929 212.847 246.055 1.00 46.53 O +ATOM 11070 CB ASP B 173 162.416 211.289 248.663 1.00 54.01 C +ATOM 11071 CG ASP B 173 160.924 211.080 248.806 1.00 59.52 C +ATOM 11072 OD1 ASP B 173 160.521 210.054 249.393 1.00 66.20 O +ATOM 11073 OD2 ASP B 173 160.153 211.940 248.331 1.00 62.77 O +ATOM 11074 H ASP B 173 164.756 211.018 248.077 1.00 62.58 H +ATOM 11075 HA ASP B 173 162.610 209.910 247.155 1.00 66.16 H +ATOM 11076 HB2 ASP B 173 162.858 210.798 249.375 1.00 64.82 H +ATOM 11077 HB3 ASP B 173 162.597 212.238 248.752 1.00 64.82 H +ATOM 11078 N SER B 174 161.554 211.196 245.371 1.00 49.36 N +ATOM 11079 CA SER B 174 161.018 211.931 244.229 1.00 54.41 C +ATOM 11080 C SER B 174 160.498 213.306 244.629 1.00 58.98 C +ATOM 11081 O SER B 174 160.826 214.313 244.003 1.00 50.59 O +ATOM 11082 CB SER B 174 159.890 211.137 243.568 1.00 49.58 C +ATOM 11083 OG SER B 174 160.339 209.861 243.155 1.00 76.76 O +ATOM 11084 H SER B 174 161.221 210.408 245.461 1.00 59.24 H +ATOM 11085 HA SER B 174 161.722 212.055 243.574 1.00 65.29 H +ATOM 11086 HB2 SER B 174 159.167 211.026 244.206 1.00 59.50 H +ATOM 11087 HB3 SER B 174 159.574 211.626 242.792 1.00 59.50 H +ATOM 11088 HG SER B 174 160.965 209.942 242.602 1.00 92.11 H +ATOM 11089 N ASN B 175 159.686 213.334 245.680 1.00 63.07 N +ATOM 11090 CA ASN B 175 159.050 214.562 246.134 1.00 57.90 C +ATOM 11091 C ASN B 175 160.067 215.576 246.652 1.00 54.35 C +ATOM 11092 O ASN B 175 159.885 216.781 246.487 1.00 47.71 O +ATOM 11093 CB ASN B 175 158.020 214.240 247.217 1.00 63.98 C +ATOM 11094 CG ASN B 175 157.097 215.404 247.508 1.00 79.29 C +ATOM 11095 OD1 ASN B 175 156.247 215.756 246.690 1.00 73.41 O +ATOM 11096 ND2 ASN B 175 157.248 216.000 248.684 1.00 89.02 N +ATOM 11097 H ASN B 175 159.486 212.644 246.152 1.00 75.68 H +ATOM 11098 HA ASN B 175 158.581 214.966 245.387 1.00 69.47 H +ATOM 11099 HB2 ASN B 175 157.477 213.492 246.925 1.00 76.77 H +ATOM 11100 HB3 ASN B 175 158.485 214.014 248.038 1.00 76.77 H +ATOM 11101 HD21 ASN B 175 156.747 216.666 248.896 1.00106.82 H +ATOM 11102 HD22 ASN B 175 157.847 215.720 249.234 1.00106.82 H +ATOM 11103 N GLU B 176 161.135 215.087 247.276 1.00 50.74 N +ATOM 11104 CA GLU B 176 162.204 215.961 247.747 1.00 52.27 C +ATOM 11105 C GLU B 176 162.852 216.706 246.585 1.00 56.09 C +ATOM 11106 O GLU B 176 163.058 217.916 246.658 1.00 54.37 O +ATOM 11107 CB GLU B 176 163.270 215.167 248.507 1.00 59.30 C +ATOM 11108 CG GLU B 176 163.001 215.020 249.999 1.00 68.04 C +ATOM 11109 CD GLU B 176 164.269 214.797 250.804 1.00 88.22 C +ATOM 11110 OE1 GLU B 176 165.231 215.577 250.634 1.00 67.07 O +ATOM 11111 OE2 GLU B 176 164.302 213.844 251.612 1.00 82.38 O +ATOM 11112 H GLU B 176 161.264 214.253 247.438 1.00 60.89 H +ATOM 11113 HA GLU B 176 161.830 216.619 248.354 1.00 62.73 H +ATOM 11114 HB2 GLU B 176 163.322 214.276 248.128 1.00 71.16 H +ATOM 11115 HB3 GLU B 176 164.123 215.617 248.405 1.00 71.16 H +ATOM 11116 HG2 GLU B 176 162.577 215.829 250.325 1.00 81.64 H +ATOM 11117 HG3 GLU B 176 162.417 214.258 250.141 1.00 81.64 H +ATOM 11118 N ILE B 177 163.177 215.976 245.522 1.00 57.51 N +ATOM 11119 CA ILE B 177 163.793 216.563 244.338 1.00 56.34 C +ATOM 11120 C ILE B 177 162.902 217.657 243.761 1.00 53.45 C +ATOM 11121 O ILE B 177 163.363 218.765 243.488 1.00 46.61 O +ATOM 11122 CB ILE B 177 164.065 215.491 243.257 1.00 61.36 C +ATOM 11123 CG1 ILE B 177 165.186 214.556 243.711 1.00 50.42 C +ATOM 11124 CG2 ILE B 177 164.450 216.132 241.919 1.00 57.93 C +ATOM 11125 CD1 ILE B 177 165.228 213.250 242.954 1.00 55.15 C +ATOM 11126 H ILE B 177 163.049 215.127 245.462 1.00 69.01 H +ATOM 11127 HA ILE B 177 164.641 216.964 244.586 1.00 67.60 H +ATOM 11128 HB ILE B 177 163.258 214.968 243.129 1.00 73.64 H +ATOM 11129 HG12 ILE B 177 166.037 215.002 243.581 1.00 60.51 H +ATOM 11130 HG13 ILE B 177 165.061 214.351 244.650 1.00 60.51 H +ATOM 11131 HG21 ILE B 177 164.612 215.431 241.268 1.00 69.51 H +ATOM 11132 HG22 ILE B 177 163.722 216.699 241.620 1.00 69.51 H +ATOM 11133 HG23 ILE B 177 165.253 216.662 242.042 1.00 69.51 H +ATOM 11134 HD11 ILE B 177 165.960 212.712 243.294 1.00 66.18 H +ATOM 11135 HD12 ILE B 177 164.387 212.784 243.082 1.00 66.18 H +ATOM 11136 HD13 ILE B 177 165.363 213.435 242.012 1.00 66.18 H +ATOM 11137 N VAL B 178 161.627 217.332 243.575 1.00 42.95 N +ATOM 11138 CA VAL B 178 160.663 218.272 243.019 1.00 48.91 C +ATOM 11139 C VAL B 178 160.587 219.544 243.856 1.00 52.68 C +ATOM 11140 O VAL B 178 160.649 220.651 243.324 1.00 56.35 O +ATOM 11141 CB VAL B 178 159.260 217.637 242.923 1.00 52.65 C +ATOM 11142 CG1 VAL B 178 158.213 218.672 242.534 1.00 52.59 C +ATOM 11143 CG2 VAL B 178 159.264 216.494 241.917 1.00 54.74 C +ATOM 11144 H VAL B 178 161.293 216.563 243.766 1.00 51.54 H +ATOM 11145 HA VAL B 178 160.943 218.518 242.124 1.00 58.69 H +ATOM 11146 HB VAL B 178 159.016 217.274 243.789 1.00 63.18 H +ATOM 11147 HG11 VAL B 178 157.346 218.240 242.483 1.00 63.10 H +ATOM 11148 HG12 VAL B 178 158.196 219.371 243.207 1.00 63.10 H +ATOM 11149 HG13 VAL B 178 158.447 219.049 241.671 1.00 63.10 H +ATOM 11150 HG21 VAL B 178 158.375 216.110 241.872 1.00 65.69 H +ATOM 11151 HG22 VAL B 178 159.520 216.841 241.047 1.00 65.69 H +ATOM 11152 HG23 VAL B 178 159.901 215.822 242.205 1.00 65.69 H +ATOM 11153 N GLU B 179 160.453 219.381 245.167 1.00 59.68 N +ATOM 11154 CA GLU B 179 160.298 220.518 246.068 1.00 66.40 C +ATOM 11155 C GLU B 179 161.570 221.359 246.170 1.00 56.04 C +ATOM 11156 O GLU B 179 161.504 222.586 246.227 1.00 49.36 O +ATOM 11157 CB GLU B 179 159.889 220.038 247.463 1.00 68.80 C +ATOM 11158 CG GLU B 179 158.477 219.470 247.539 1.00 70.18 C +ATOM 11159 CD GLU B 179 158.104 219.024 248.940 1.00 81.52 C +ATOM 11160 OE1 GLU B 179 158.981 219.049 249.829 1.00 85.10 O +ATOM 11161 OE2 GLU B 179 156.931 218.651 249.153 1.00 84.85 O +ATOM 11162 H GLU B 179 160.449 218.617 245.563 1.00 71.61 H +ATOM 11163 HA GLU B 179 159.591 221.090 245.731 1.00 79.68 H +ATOM 11164 HB2 GLU B 179 160.502 219.341 247.744 1.00 82.56 H +ATOM 11165 HB3 GLU B 179 159.939 220.786 248.077 1.00 82.56 H +ATOM 11166 HG2 GLU B 179 157.846 220.153 247.263 1.00 84.22 H +ATOM 11167 HG3 GLU B 179 158.413 218.701 246.952 1.00 84.22 H +ATOM 11168 N LYS B 180 162.723 220.698 246.185 1.00 56.02 N +ATOM 11169 CA LYS B 180 163.993 221.382 246.425 1.00 52.95 C +ATOM 11170 C LYS B 180 164.607 222.013 245.176 1.00 54.29 C +ATOM 11171 O LYS B 180 165.350 222.988 245.281 1.00 52.86 O +ATOM 11172 CB LYS B 180 165.009 220.411 247.032 1.00 57.90 C +ATOM 11173 CG LYS B 180 164.874 220.207 248.533 1.00 61.58 C +ATOM 11174 CD LYS B 180 165.997 219.328 249.060 1.00 72.43 C +ATOM 11175 CE LYS B 180 166.144 219.435 250.572 1.00 78.08 C +ATOM 11176 NZ LYS B 180 164.961 218.900 251.299 1.00 80.07 N +ATOM 11177 H LYS B 180 162.799 219.851 246.058 1.00 67.23 H +ATOM 11178 HA LYS B 180 163.844 222.092 247.068 1.00 63.54 H +ATOM 11179 HB2 LYS B 180 164.902 219.545 246.608 1.00 69.48 H +ATOM 11180 HB3 LYS B 180 165.902 220.750 246.861 1.00 69.48 H +ATOM 11181 HG2 LYS B 180 164.922 221.067 248.980 1.00 73.89 H +ATOM 11182 HG3 LYS B 180 164.028 219.773 248.724 1.00 73.89 H +ATOM 11183 HD2 LYS B 180 165.807 218.402 248.840 1.00 86.91 H +ATOM 11184 HD3 LYS B 180 166.834 219.603 248.655 1.00 86.91 H +ATOM 11185 HE2 LYS B 180 166.922 218.928 250.851 1.00 93.69 H +ATOM 11186 HE3 LYS B 180 166.249 220.368 250.814 1.00 93.69 H +ATOM 11187 HZ1 LYS B 180 165.083 218.980 252.177 1.00 96.09 H +ATOM 11188 HZ2 LYS B 180 164.231 219.353 251.066 1.00 96.09 H +ATOM 11189 HZ3 LYS B 180 164.845 218.041 251.099 1.00 96.09 H +ATOM 11190 N LEU B 181 164.303 221.462 244.001 1.00 57.06 N +ATOM 11191 CA LEU B 181 165.010 221.841 242.776 1.00 49.34 C +ATOM 11192 C LEU B 181 164.111 222.291 241.626 1.00 41.36 C +ATOM 11193 O LEU B 181 164.567 223.003 240.734 1.00 46.40 O +ATOM 11194 CB LEU B 181 165.869 220.668 242.293 1.00 47.21 C +ATOM 11195 CG LEU B 181 167.005 220.222 243.215 1.00 47.12 C +ATOM 11196 CD1 LEU B 181 167.647 218.949 242.689 1.00 45.59 C +ATOM 11197 CD2 LEU B 181 168.045 221.318 243.355 1.00 50.81 C +ATOM 11198 H LEU B 181 163.693 220.868 243.886 1.00 68.47 H +ATOM 11199 HA LEU B 181 165.609 222.576 242.982 1.00 59.21 H +ATOM 11200 HB2 LEU B 181 165.289 219.902 242.163 1.00 56.65 H +ATOM 11201 HB3 LEU B 181 166.269 220.914 241.445 1.00 56.65 H +ATOM 11202 HG LEU B 181 166.644 220.035 244.096 1.00 56.55 H +ATOM 11203 HD11 LEU B 181 168.363 218.686 243.289 1.00 54.70 H +ATOM 11204 HD12 LEU B 181 166.975 218.250 242.650 1.00 54.70 H +ATOM 11205 HD13 LEU B 181 168.002 219.118 241.803 1.00 54.70 H +ATOM 11206 HD21 LEU B 181 168.751 221.008 243.943 1.00 60.97 H +ATOM 11207 HD22 LEU B 181 168.408 221.521 242.479 1.00 60.97 H +ATOM 11208 HD23 LEU B 181 167.623 222.106 243.730 1.00 60.97 H +ATOM 11209 N LEU B 182 162.845 221.882 241.641 1.00 44.92 N +ATOM 11210 CA LEU B 182 161.975 222.062 240.477 1.00 48.79 C +ATOM 11211 C LEU B 182 160.744 222.931 240.729 1.00 38.90 C +ATOM 11212 O LEU B 182 160.217 223.550 239.805 1.00 38.26 O +ATOM 11213 CB LEU B 182 161.521 220.694 239.960 1.00 44.18 C +ATOM 11214 CG LEU B 182 162.631 219.680 239.672 1.00 41.39 C +ATOM 11215 CD1 LEU B 182 162.028 218.404 239.116 1.00 43.14 C +ATOM 11216 CD2 LEU B 182 163.673 220.246 238.713 1.00 43.31 C +ATOM 11217 H LEU B 182 162.465 221.499 242.310 1.00 53.90 H +ATOM 11218 HA LEU B 182 162.490 222.485 239.772 1.00 58.55 H +ATOM 11219 HB2 LEU B 182 160.933 220.298 240.622 1.00 53.01 H +ATOM 11220 HB3 LEU B 182 161.031 220.828 239.134 1.00 53.01 H +ATOM 11221 HG LEU B 182 163.080 219.461 240.504 1.00 49.67 H +ATOM 11222 HD11 LEU B 182 162.740 217.770 238.938 1.00 51.77 H +ATOM 11223 HD12 LEU B 182 161.412 218.036 239.769 1.00 51.77 H +ATOM 11224 HD13 LEU B 182 161.554 218.611 238.295 1.00 51.77 H +ATOM 11225 HD21 LEU B 182 164.356 219.575 238.557 1.00 51.97 H +ATOM 11226 HD22 LEU B 182 163.240 220.477 237.876 1.00 51.97 H +ATOM 11227 HD23 LEU B 182 164.071 221.037 239.109 1.00 51.97 H +ATOM 11228 N LEU B 183 160.277 222.974 241.970 1.00 41.77 N +ATOM 11229 CA LEU B 183 159.051 223.695 242.286 1.00 48.30 C +ATOM 11230 C LEU B 183 159.231 225.206 242.131 1.00 42.27 C +ATOM 11231 O LEU B 183 160.231 225.770 242.571 1.00 37.26 O +ATOM 11232 CB LEU B 183 158.592 223.361 243.705 1.00 55.17 C +ATOM 11233 CG LEU B 183 157.176 223.801 244.083 1.00 61.11 C +ATOM 11234 CD1 LEU B 183 156.134 223.070 243.246 1.00 75.06 C +ATOM 11235 CD2 LEU B 183 156.934 223.565 245.562 1.00 72.16 C +ATOM 11236 H LEU B 183 160.650 222.595 242.646 1.00 50.13 H +ATOM 11237 HA LEU B 183 158.354 223.413 241.673 1.00 57.96 H +ATOM 11238 HB2 LEU B 183 158.635 222.398 243.819 1.00 66.21 H +ATOM 11239 HB3 LEU B 183 159.202 223.785 244.329 1.00 66.21 H +ATOM 11240 HG LEU B 183 157.085 224.751 243.912 1.00 73.33 H +ATOM 11241 HD11 LEU B 183 155.250 223.371 243.509 1.00 90.07 H +ATOM 11242 HD12 LEU B 183 156.286 223.269 242.309 1.00 90.07 H +ATOM 11243 HD13 LEU B 183 156.219 222.116 243.399 1.00 90.07 H +ATOM 11244 HD21 LEU B 183 156.033 223.849 245.783 1.00 86.59 H +ATOM 11245 HD22 LEU B 183 157.039 222.619 245.752 1.00 86.59 H +ATOM 11246 HD23 LEU B 183 157.578 224.079 246.073 1.00 86.59 H +ATOM 11247 N ARG B 184 158.252 225.849 241.500 1.00 40.32 N +ATOM 11248 CA ARG B 184 158.300 227.285 241.238 1.00 44.17 C +ATOM 11249 C ARG B 184 157.905 228.107 242.463 1.00 46.32 C +ATOM 11250 O ARG B 184 156.874 227.856 243.085 1.00 39.55 O +ATOM 11251 CB ARG B 184 157.380 227.637 240.065 1.00 37.87 C +ATOM 11252 CG ARG B 184 157.269 229.128 239.760 1.00 45.09 C +ATOM 11253 CD ARG B 184 156.239 229.388 238.674 1.00 38.18 C +ATOM 11254 NE ARG B 184 156.644 228.835 237.384 1.00 41.89 N +ATOM 11255 CZ ARG B 184 155.836 228.700 236.337 1.00 44.25 C +ATOM 11256 NH1 ARG B 184 154.565 229.068 236.416 1.00 42.33 N +ATOM 11257 NH2 ARG B 184 156.299 228.190 235.207 1.00 47.91 N +ATOM 11258 H ARG B 184 157.538 225.469 241.209 1.00 48.39 H +ATOM 11259 HA ARG B 184 159.206 227.531 240.993 1.00 53.01 H +ATOM 11260 HB2 ARG B 184 157.716 227.199 239.268 1.00 45.45 H +ATOM 11261 HB3 ARG B 184 156.488 227.312 240.264 1.00 45.45 H +ATOM 11262 HG2 ARG B 184 156.995 229.601 240.561 1.00 54.11 H +ATOM 11263 HG3 ARG B 184 158.128 229.457 239.451 1.00 54.11 H +ATOM 11264 HD2 ARG B 184 155.399 228.976 238.928 1.00 45.81 H +ATOM 11265 HD3 ARG B 184 156.123 230.345 238.568 1.00 45.81 H +ATOM 11266 HE ARG B 184 157.460 228.580 237.296 1.00 50.27 H +ATOM 11267 HH11 ARG B 184 154.258 229.401 237.147 1.00 50.80 H +ATOM 11268 HH12 ARG B 184 154.048 228.976 235.735 1.00 50.80 H +ATOM 11269 HH21 ARG B 184 157.122 227.948 235.150 1.00 57.49 H +ATOM 11270 HH22 ARG B 184 155.776 228.100 234.531 1.00 57.49 H +ATOM 11271 N ARG B 185 158.739 229.088 242.795 1.00 47.87 N +ATOM 11272 CA ARG B 185 158.423 230.072 243.827 1.00 44.43 C +ATOM 11273 C ARG B 185 158.017 231.368 243.144 1.00 41.35 C +ATOM 11274 O ARG B 185 156.935 231.907 243.370 1.00 40.36 O +ATOM 11275 CB ARG B 185 159.624 230.317 244.740 1.00 46.46 C +ATOM 11276 CG ARG B 185 160.302 229.056 245.245 1.00 46.27 C +ATOM 11277 CD ARG B 185 159.389 228.250 246.150 1.00 55.22 C +ATOM 11278 NE ARG B 185 158.932 229.024 247.299 1.00 59.35 N +ATOM 11279 CZ ARG B 185 159.673 229.286 248.372 1.00 59.98 C +ATOM 11280 NH1 ARG B 185 160.921 228.845 248.448 1.00 57.57 N +ATOM 11281 NH2 ARG B 185 159.166 229.997 249.369 1.00 52.92 N +ATOM 11282 H ARG B 185 159.508 229.206 242.431 1.00 57.44 H +ATOM 11283 HA ARG B 185 157.681 229.756 244.366 1.00 53.32 H +ATOM 11284 HB2 ARG B 185 160.286 230.831 244.251 1.00 55.75 H +ATOM 11285 HB3 ARG B 185 159.327 230.821 245.514 1.00 55.75 H +ATOM 11286 HG2 ARG B 185 160.546 228.500 244.488 1.00 55.52 H +ATOM 11287 HG3 ARG B 185 161.093 229.299 245.751 1.00 55.52 H +ATOM 11288 HD2 ARG B 185 158.609 227.969 245.646 1.00 66.26 H +ATOM 11289 HD3 ARG B 185 159.870 227.476 246.479 1.00 66.26 H +ATOM 11290 HE ARG B 185 158.129 229.332 247.282 1.00 71.22 H +ATOM 11291 HH11 ARG B 185 161.254 228.383 247.804 1.00 69.08 H +ATOM 11292 HH12 ARG B 185 161.396 229.018 249.144 1.00 69.08 H +ATOM 11293 HH21 ARG B 185 158.358 230.287 249.323 1.00 63.50 H +ATOM 11294 HH22 ARG B 185 159.646 230.169 250.062 1.00 63.50 H +ATOM 11295 N LYS B 186 158.920 231.846 242.298 1.00 45.36 N +ATOM 11296 CA LYS B 186 158.734 233.052 241.510 1.00 41.30 C +ATOM 11297 C LYS B 186 158.744 232.661 240.038 1.00 44.14 C +ATOM 11298 O LYS B 186 159.646 231.954 239.591 1.00 42.21 O +ATOM 11299 CB LYS B 186 159.842 234.054 241.835 1.00 40.37 C +ATOM 11300 CG LYS B 186 159.922 235.286 240.955 1.00 47.28 C +ATOM 11301 CD LYS B 186 160.948 236.252 241.541 1.00 48.16 C +ATOM 11302 CE LYS B 186 161.428 237.283 240.535 1.00 50.22 C +ATOM 11303 NZ LYS B 186 160.364 238.242 240.145 1.00 67.59 N +ATOM 11304 H LYS B 186 159.681 231.469 242.160 1.00 54.43 H +ATOM 11305 HA LYS B 186 157.877 233.454 241.721 1.00 49.56 H +ATOM 11306 HB2 LYS B 186 159.716 234.360 242.747 1.00 48.45 H +ATOM 11307 HB3 LYS B 186 160.694 233.596 241.766 1.00 48.45 H +ATOM 11308 HG2 LYS B 186 160.206 235.033 240.063 1.00 56.73 H +ATOM 11309 HG3 LYS B 186 159.058 235.727 240.930 1.00 56.73 H +ATOM 11310 HD2 LYS B 186 160.547 236.725 242.286 1.00 57.80 H +ATOM 11311 HD3 LYS B 186 161.719 235.748 241.844 1.00 57.80 H +ATOM 11312 HE2 LYS B 186 162.159 237.788 240.924 1.00 60.26 H +ATOM 11313 HE3 LYS B 186 161.729 236.827 239.733 1.00 60.26 H +ATOM 11314 HZ1 LYS B 186 160.683 238.828 239.556 1.00 81.11 H +ATOM 11315 HZ2 LYS B 186 159.681 237.805 239.777 1.00 81.11 H +ATOM 11316 HZ3 LYS B 186 160.073 238.681 240.862 1.00 81.11 H +ATOM 11317 N PHE B 187 157.730 233.086 239.292 1.00 38.77 N +ATOM 11318 CA PHE B 187 157.659 232.753 237.878 1.00 34.71 C +ATOM 11319 C PHE B 187 158.853 233.339 237.147 1.00 45.69 C +ATOM 11320 O PHE B 187 159.167 234.517 237.302 1.00 63.36 O +ATOM 11321 CB PHE B 187 156.359 233.263 237.254 1.00 37.84 C +ATOM 11322 CG PHE B 187 156.313 233.125 235.757 1.00 39.70 C +ATOM 11323 CD1 PHE B 187 156.018 231.907 235.169 1.00 41.32 C +ATOM 11324 CD2 PHE B 187 156.567 234.212 234.939 1.00 39.79 C +ATOM 11325 CE1 PHE B 187 155.976 231.776 233.795 1.00 34.99 C +ATOM 11326 CE2 PHE B 187 156.526 234.087 233.565 1.00 43.27 C +ATOM 11327 CZ PHE B 187 156.230 232.865 232.993 1.00 40.15 C +ATOM 11328 H PHE B 187 157.076 233.564 239.579 1.00 46.52 H +ATOM 11329 HA PHE B 187 157.685 231.789 237.776 1.00 41.65 H +ATOM 11330 HB2 PHE B 187 155.617 232.759 237.622 1.00 45.41 H +ATOM 11331 HB3 PHE B 187 156.257 234.203 237.468 1.00 45.41 H +ATOM 11332 HD1 PHE B 187 155.846 231.168 235.706 1.00 49.58 H +ATOM 11333 HD2 PHE B 187 156.767 235.037 235.319 1.00 47.74 H +ATOM 11334 HE1 PHE B 187 155.777 230.953 233.412 1.00 41.99 H +ATOM 11335 HE2 PHE B 187 156.698 234.824 233.025 1.00 51.93 H +ATOM 11336 HZ PHE B 187 156.202 232.778 232.067 1.00 48.18 H +ATOM 11337 N ILE B 188 159.518 232.507 236.352 1.00 45.13 N +ATOM 11338 CA ILE B 188 160.671 232.939 235.576 1.00 39.57 C +ATOM 11339 C ILE B 188 160.315 232.919 234.092 1.00 41.93 C +ATOM 11340 O ILE B 188 160.159 231.849 233.510 1.00 40.44 O +ATOM 11341 CB ILE B 188 161.894 232.048 235.829 1.00 42.95 C +ATOM 11342 CG1 ILE B 188 162.248 232.073 237.317 1.00 37.32 C +ATOM 11343 CG2 ILE B 188 163.080 232.525 234.989 1.00 42.00 C +ATOM 11344 CD1 ILE B 188 163.382 231.150 237.703 1.00 54.22 C +ATOM 11345 H ILE B 188 159.317 231.678 236.245 1.00 54.15 H +ATOM 11346 HA ILE B 188 160.901 233.849 235.822 1.00 47.49 H +ATOM 11347 HB ILE B 188 161.676 231.138 235.574 1.00 51.54 H +ATOM 11348 HG12 ILE B 188 162.507 232.975 237.559 1.00 44.79 H +ATOM 11349 HG13 ILE B 188 161.466 231.808 237.826 1.00 44.79 H +ATOM 11350 HG21 ILE B 188 163.842 231.949 235.163 1.00 50.40 H +ATOM 11351 HG22 ILE B 188 162.840 232.481 234.050 1.00 50.40 H +ATOM 11352 HG23 ILE B 188 163.293 233.439 235.234 1.00 50.40 H +ATOM 11353 HD11 ILE B 188 163.540 231.227 238.657 1.00 65.06 H +ATOM 11354 HD12 ILE B 188 163.136 230.238 237.481 1.00 65.06 H +ATOM 11355 HD13 ILE B 188 164.178 231.407 237.213 1.00 65.06 H +ATOM 11356 N PRO B 189 160.181 234.104 233.470 1.00 40.39 N +ATOM 11357 CA PRO B 189 159.798 234.141 232.055 1.00 34.47 C +ATOM 11358 C PRO B 189 160.901 233.637 231.133 1.00 39.71 C +ATOM 11359 O PRO B 189 162.082 233.741 231.459 1.00 39.02 O +ATOM 11360 CB PRO B 189 159.517 235.627 231.814 1.00 38.19 C +ATOM 11361 CG PRO B 189 160.373 236.326 232.798 1.00 34.40 C +ATOM 11362 CD PRO B 189 160.384 235.458 234.015 1.00 38.36 C +ATOM 11363 HA PRO B 189 158.988 233.629 231.906 1.00 41.37 H +ATOM 11364 HB2 PRO B 189 159.768 235.866 230.907 1.00 45.82 H +ATOM 11365 HB3 PRO B 189 158.580 235.816 231.975 1.00 45.82 H +ATOM 11366 HG2 PRO B 189 161.270 236.422 232.440 1.00 41.27 H +ATOM 11367 HG3 PRO B 189 159.992 237.194 233.002 1.00 41.27 H +ATOM 11368 HD2 PRO B 189 161.241 235.516 234.465 1.00 46.03 H +ATOM 11369 HD3 PRO B 189 159.654 235.697 234.608 1.00 46.03 H +ATOM 11370 N ASP B 190 160.508 233.087 229.991 1.00 42.53 N +ATOM 11371 CA ASP B 190 161.465 232.644 228.992 1.00 40.96 C +ATOM 11372 C ASP B 190 162.169 233.848 228.362 1.00 34.79 C +ATOM 11373 O ASP B 190 161.509 234.721 227.806 1.00 32.60 O +ATOM 11374 CB ASP B 190 160.764 231.818 227.915 1.00 47.62 C +ATOM 11375 CG ASP B 190 161.654 231.541 226.724 1.00 42.41 C +ATOM 11376 OD1 ASP B 190 162.859 231.297 226.927 1.00 43.08 O +ATOM 11377 OD2 ASP B 190 161.154 231.579 225.586 1.00 40.77 O +ATOM 11378 H ASP B 190 159.686 232.960 229.771 1.00 51.04 H +ATOM 11379 HA ASP B 190 162.136 232.086 229.416 1.00 49.15 H +ATOM 11380 HB2 ASP B 190 160.495 230.966 228.294 1.00 57.15 H +ATOM 11381 HB3 ASP B 190 159.984 232.303 227.601 1.00 57.15 H +ATOM 11382 N PRO B 191 163.512 233.897 228.430 1.00 34.70 N +ATOM 11383 CA PRO B 191 164.186 235.069 227.862 1.00 29.66 C +ATOM 11384 C PRO B 191 164.157 235.104 226.335 1.00 30.48 C +ATOM 11385 O PRO B 191 164.439 236.150 225.758 1.00 32.50 O +ATOM 11386 CB PRO B 191 165.632 234.931 228.368 1.00 47.41 C +ATOM 11387 CG PRO B 191 165.672 233.711 229.230 1.00 43.36 C +ATOM 11388 CD PRO B 191 164.474 232.901 228.931 1.00 41.95 C +ATOM 11389 HA PRO B 191 163.798 235.886 228.213 1.00 35.60 H +ATOM 11390 HB2 PRO B 191 166.230 234.830 227.611 1.00 56.89 H +ATOM 11391 HB3 PRO B 191 165.869 235.718 228.884 1.00 56.89 H +ATOM 11392 HG2 PRO B 191 166.475 233.206 229.030 1.00 52.03 H +ATOM 11393 HG3 PRO B 191 165.669 233.980 230.162 1.00 52.03 H +ATOM 11394 HD2 PRO B 191 164.672 232.246 228.244 1.00 50.34 H +ATOM 11395 HD3 PRO B 191 164.138 232.482 229.738 1.00 50.34 H +ATOM 11396 N GLN B 192 163.838 233.981 225.700 1.00 37.04 N +ATOM 11397 CA GLN B 192 163.717 233.930 224.244 1.00 36.31 C +ATOM 11398 C GLN B 192 162.362 234.469 223.793 1.00 36.22 C +ATOM 11399 O GLN B 192 162.125 234.664 222.601 1.00 32.37 O +ATOM 11400 CB GLN B 192 163.919 232.502 223.727 1.00 38.41 C +ATOM 11401 CG GLN B 192 165.371 232.043 223.757 1.00 45.21 C +ATOM 11402 CD GLN B 192 165.579 230.673 223.149 1.00 39.77 C +ATOM 11403 OE1 GLN B 192 166.253 229.826 223.730 1.00 38.64 O +ATOM 11404 NE2 GLN B 192 165.016 230.451 221.966 1.00 35.07 N +ATOM 11405 H GLN B 192 163.686 233.230 226.090 1.00 44.44 H +ATOM 11406 HA GLN B 192 164.406 234.490 223.852 1.00 43.57 H +ATOM 11407 HB2 GLN B 192 163.403 231.893 224.278 1.00 46.09 H +ATOM 11408 HB3 GLN B 192 163.612 232.455 222.808 1.00 46.09 H +ATOM 11409 HG2 GLN B 192 165.911 232.676 223.258 1.00 54.25 H +ATOM 11410 HG3 GLN B 192 165.670 232.008 224.679 1.00 54.25 H +ATOM 11411 HE21 GLN B 192 164.560 231.072 221.584 1.00 42.08 H +ATOM 11412 HE22 GLN B 192 165.108 229.687 221.582 1.00 42.08 H +ATOM 11413 N GLY B 193 161.472 234.701 224.751 1.00 40.44 N +ATOM 11414 CA GLY B 193 160.200 235.340 224.474 1.00 43.19 C +ATOM 11415 C GLY B 193 159.085 234.402 224.048 1.00 45.21 C +ATOM 11416 O GLY B 193 158.077 234.865 223.518 1.00 44.11 O +ATOM 11417 H GLY B 193 161.586 234.494 225.578 1.00 48.53 H +ATOM 11418 HA2 GLY B 193 159.905 235.810 225.270 1.00 51.82 H +ATOM 11419 HA3 GLY B 193 160.325 235.994 223.769 1.00 51.82 H +ATOM 11420 N SER B 194 159.256 233.102 224.279 1.00 39.54 N +ATOM 11421 CA SER B 194 158.232 232.116 223.926 1.00 38.50 C +ATOM 11422 C SER B 194 156.894 232.493 224.544 1.00 41.70 C +ATOM 11423 O SER B 194 156.836 232.880 225.710 1.00 37.28 O +ATOM 11424 CB SER B 194 158.629 230.714 224.396 1.00 42.81 C +ATOM 11425 OG SER B 194 159.894 230.330 223.890 1.00 34.79 O +ATOM 11426 H SER B 194 159.958 232.762 224.640 1.00 47.45 H +ATOM 11427 HA SER B 194 158.127 232.095 222.962 1.00 46.20 H +ATOM 11428 HB2 SER B 194 158.665 230.708 225.365 1.00 51.37 H +ATOM 11429 HB3 SER B 194 157.963 230.081 224.087 1.00 51.37 H +ATOM 11430 HG SER B 194 160.483 230.868 224.152 1.00 41.75 H +ATOM 11431 N ASN B 195 155.827 232.378 223.759 1.00 41.57 N +ATOM 11432 CA ASN B 195 154.490 232.713 224.231 1.00 42.33 C +ATOM 11433 C ASN B 195 153.612 231.470 224.383 1.00 42.10 C +ATOM 11434 O ASN B 195 154.084 230.351 224.207 1.00 45.51 O +ATOM 11435 CB ASN B 195 153.835 233.727 223.288 1.00 36.73 C +ATOM 11436 CG ASN B 195 153.721 233.222 221.859 1.00 39.65 C +ATOM 11437 OD1 ASN B 195 153.795 232.022 221.595 1.00 41.59 O +ATOM 11438 ND2 ASN B 195 153.540 234.148 220.925 1.00 37.47 N +ATOM 11439 H ASN B 195 155.852 232.106 222.943 1.00 49.88 H +ATOM 11440 HA ASN B 195 154.565 233.129 225.105 1.00 50.80 H +ATOM 11441 HB2 ASN B 195 152.941 233.924 223.608 1.00 44.07 H +ATOM 11442 HB3 ASN B 195 154.368 234.537 223.277 1.00 44.07 H +ATOM 11443 HD21 ASN B 195 153.469 233.918 220.099 1.00 44.96 H +ATOM 11444 HD22 ASN B 195 153.494 234.978 221.145 1.00 44.96 H +ATOM 11445 N MET B 196 152.340 231.663 224.714 1.00 41.52 N +ATOM 11446 CA MET B 196 151.457 230.531 224.969 1.00 45.38 C +ATOM 11447 C MET B 196 151.042 229.834 223.679 1.00 40.11 C +ATOM 11448 O MET B 196 150.656 228.666 223.701 1.00 36.49 O +ATOM 11449 CB MET B 196 150.218 230.980 225.746 1.00 48.01 C +ATOM 11450 CG MET B 196 150.492 231.338 227.203 1.00 58.45 C +ATOM 11451 SD MET B 196 151.435 230.080 228.098 1.00 44.22 S +ATOM 11452 CE MET B 196 150.352 228.662 227.960 1.00 84.49 C +ATOM 11453 H MET B 196 151.967 232.433 224.799 1.00 49.82 H +ATOM 11454 HA MET B 196 151.931 229.891 225.523 1.00 54.46 H +ATOM 11455 HB2 MET B 196 149.846 231.765 225.314 1.00 57.61 H +ATOM 11456 HB3 MET B 196 149.567 230.261 225.737 1.00 57.61 H +ATOM 11457 HG2 MET B 196 150.999 232.165 227.231 1.00 70.14 H +ATOM 11458 HG3 MET B 196 149.645 231.456 227.661 1.00 70.14 H +ATOM 11459 HE1 MET B 196 150.760 227.908 228.413 1.00101.39 H +ATOM 11460 HE2 MET B 196 149.500 228.875 228.372 1.00101.39 H +ATOM 11461 HE3 MET B 196 150.223 228.454 227.021 1.00101.39 H +ATOM 11462 N MET B 197 151.119 230.542 222.558 1.00 31.47 N +ATOM 11463 CA MET B 197 150.923 229.906 221.266 1.00 40.81 C +ATOM 11464 C MET B 197 152.002 228.846 221.060 1.00 40.46 C +ATOM 11465 O MET B 197 151.738 227.778 220.511 1.00 33.53 O +ATOM 11466 CB MET B 197 150.961 230.931 220.131 1.00 40.00 C +ATOM 11467 CG MET B 197 149.772 231.878 220.104 1.00 55.84 C +ATOM 11468 SD MET B 197 148.212 231.066 219.702 1.00 37.21 S +ATOM 11469 CE MET B 197 148.473 230.631 217.986 1.00 29.39 C +ATOM 11470 H MET B 197 151.282 231.386 222.520 1.00 37.77 H +ATOM 11471 HA MET B 197 150.053 229.477 221.253 1.00 48.97 H +ATOM 11472 HB2 MET B 197 151.764 231.468 220.225 1.00 48.00 H +ATOM 11473 HB3 MET B 197 150.981 230.458 219.285 1.00 48.00 H +ATOM 11474 HG2 MET B 197 149.677 232.287 220.979 1.00 67.01 H +ATOM 11475 HG3 MET B 197 149.931 232.563 219.436 1.00 67.01 H +ATOM 11476 HE1 MET B 197 148.632 231.441 217.476 1.00 35.27 H +ATOM 11477 HE2 MET B 197 149.243 230.044 217.923 1.00 35.27 H +ATOM 11478 HE3 MET B 197 147.683 230.178 217.651 1.00 35.27 H +ATOM 11479 N PHE B 198 153.216 229.145 221.516 1.00 38.40 N +ATOM 11480 CA PHE B 198 154.327 228.205 221.416 1.00 38.44 C +ATOM 11481 C PHE B 198 154.145 227.026 222.368 1.00 33.45 C +ATOM 11482 O PHE B 198 154.344 225.876 221.984 1.00 27.29 O +ATOM 11483 CB PHE B 198 155.661 228.903 221.708 1.00 32.26 C +ATOM 11484 CG PHE B 198 156.823 227.959 221.822 1.00 37.21 C +ATOM 11485 CD1 PHE B 198 157.457 227.482 220.690 1.00 35.57 C +ATOM 11486 CD2 PHE B 198 157.274 227.540 223.062 1.00 33.90 C +ATOM 11487 CE1 PHE B 198 158.518 226.609 220.792 1.00 30.96 C +ATOM 11488 CE2 PHE B 198 158.335 226.666 223.166 1.00 35.20 C +ATOM 11489 CZ PHE B 198 158.956 226.201 222.031 1.00 31.00 C +ATOM 11490 H PHE B 198 153.422 229.891 221.891 1.00 46.08 H +ATOM 11491 HA PHE B 198 154.364 227.856 220.512 1.00 46.13 H +ATOM 11492 HB2 PHE B 198 155.853 229.525 220.988 1.00 38.71 H +ATOM 11493 HB3 PHE B 198 155.586 229.384 222.547 1.00 38.71 H +ATOM 11494 HD1 PHE B 198 157.163 227.753 219.850 1.00 42.69 H +ATOM 11495 HD2 PHE B 198 156.856 227.850 223.832 1.00 40.68 H +ATOM 11496 HE1 PHE B 198 158.938 226.295 220.024 1.00 37.15 H +ATOM 11497 HE2 PHE B 198 158.632 226.392 224.004 1.00 42.24 H +ATOM 11498 HZ PHE B 198 159.674 225.614 222.100 1.00 37.20 H +ATOM 11499 N ALA B 199 153.762 227.318 223.606 1.00 30.52 N +ATOM 11500 CA ALA B 199 153.616 226.286 224.626 1.00 29.68 C +ATOM 11501 C ALA B 199 152.536 225.264 224.265 1.00 37.65 C +ATOM 11502 O ALA B 199 152.755 224.059 224.393 1.00 33.79 O +ATOM 11503 CB ALA B 199 153.307 226.920 225.972 1.00 30.90 C +ATOM 11504 H ALA B 199 153.580 228.111 223.882 1.00 36.62 H +ATOM 11505 HA ALA B 199 154.457 225.810 224.710 1.00 35.62 H +ATOM 11506 HB1 ALA B 199 153.213 226.219 226.636 1.00 37.08 H +ATOM 11507 HB2 ALA B 199 154.035 227.512 226.216 1.00 37.08 H +ATOM 11508 HB3 ALA B 199 152.480 227.423 225.902 1.00 37.08 H +ATOM 11509 N PHE B 200 151.378 225.736 223.816 1.00 33.10 N +ATOM 11510 CA PHE B 200 150.279 224.835 223.480 1.00 35.11 C +ATOM 11511 C PHE B 200 150.501 224.148 222.138 1.00 27.33 C +ATOM 11512 O PHE B 200 149.997 223.050 221.911 1.00 24.04 O +ATOM 11513 CB PHE B 200 148.944 225.583 223.469 1.00 37.90 C +ATOM 11514 CG PHE B 200 148.403 225.869 224.839 1.00 46.49 C +ATOM 11515 CD1 PHE B 200 148.118 224.833 225.712 1.00 43.82 C +ATOM 11516 CD2 PHE B 200 148.177 227.168 225.254 1.00 47.95 C +ATOM 11517 CE1 PHE B 200 147.625 225.089 226.973 1.00 37.88 C +ATOM 11518 CE2 PHE B 200 147.679 227.427 226.514 1.00 50.03 C +ATOM 11519 CZ PHE B 200 147.404 226.385 227.374 1.00 51.03 C +ATOM 11520 H PHE B 200 151.202 226.570 223.697 1.00 39.72 H +ATOM 11521 HA PHE B 200 150.225 224.145 224.160 1.00 42.13 H +ATOM 11522 HB2 PHE B 200 149.064 226.431 223.014 1.00 45.48 H +ATOM 11523 HB3 PHE B 200 148.288 225.046 222.996 1.00 45.48 H +ATOM 11524 HD1 PHE B 200 148.267 223.954 225.447 1.00 52.58 H +ATOM 11525 HD2 PHE B 200 148.362 227.874 224.678 1.00 57.53 H +ATOM 11526 HE1 PHE B 200 147.438 224.384 227.551 1.00 45.45 H +ATOM 11527 HE2 PHE B 200 147.532 228.304 226.784 1.00 60.04 H +ATOM 11528 HZ PHE B 200 147.069 226.559 228.224 1.00 61.24 H +ATOM 11529 N PHE B 201 151.248 224.786 221.246 1.00 27.54 N +ATOM 11530 CA PHE B 201 151.617 224.131 220.002 1.00 28.02 C +ATOM 11531 C PHE B 201 152.530 222.954 220.318 1.00 28.05 C +ATOM 11532 O PHE B 201 152.387 221.873 219.751 1.00 25.51 O +ATOM 11533 CB PHE B 201 152.309 225.089 219.038 1.00 20.46 C +ATOM 11534 CG PHE B 201 152.590 224.483 217.693 1.00 26.19 C +ATOM 11535 CD1 PHE B 201 153.728 223.727 217.483 1.00 24.94 C +ATOM 11536 CD2 PHE B 201 151.706 224.659 216.643 1.00 23.82 C +ATOM 11537 CE1 PHE B 201 153.984 223.165 216.251 1.00 27.68 C +ATOM 11538 CE2 PHE B 201 151.958 224.099 215.409 1.00 26.73 C +ATOM 11539 CZ PHE B 201 153.099 223.349 215.214 1.00 28.36 C +ATOM 11540 H PHE B 201 151.550 225.587 221.336 1.00 33.04 H +ATOM 11541 HA PHE B 201 150.818 223.789 219.570 1.00 33.62 H +ATOM 11542 HB2 PHE B 201 151.741 225.863 218.903 1.00 24.55 H +ATOM 11543 HB3 PHE B 201 153.156 225.364 219.423 1.00 24.55 H +ATOM 11544 HD1 PHE B 201 154.330 223.598 218.181 1.00 29.93 H +ATOM 11545 HD2 PHE B 201 150.935 225.163 216.770 1.00 28.59 H +ATOM 11546 HE1 PHE B 201 154.754 222.660 216.121 1.00 33.21 H +ATOM 11547 HE2 PHE B 201 151.358 224.225 214.709 1.00 32.08 H +ATOM 11548 HZ PHE B 201 153.271 222.971 214.382 1.00 34.04 H +ATOM 11549 N ALA B 202 153.466 223.180 221.232 1.00 28.84 N +ATOM 11550 CA ALA B 202 154.364 222.131 221.693 1.00 27.30 C +ATOM 11551 C ALA B 202 153.570 220.960 222.261 1.00 29.85 C +ATOM 11552 O ALA B 202 153.788 219.812 221.883 1.00 21.97 O +ATOM 11553 CB ALA B 202 155.328 222.678 222.736 1.00 26.63 C +ATOM 11554 H ALA B 202 153.603 223.943 221.605 1.00 34.61 H +ATOM 11555 HA ALA B 202 154.885 221.806 220.942 1.00 32.76 H +ATOM 11556 HB1 ALA B 202 155.915 221.964 223.029 1.00 31.96 H +ATOM 11557 HB2 ALA B 202 155.849 223.394 222.339 1.00 31.96 H +ATOM 11558 HB3 ALA B 202 154.818 223.018 223.489 1.00 31.96 H +ATOM 11559 N GLN B 203 152.637 221.255 223.162 1.00 35.11 N +ATOM 11560 CA GLN B 203 151.818 220.217 223.778 1.00 35.45 C +ATOM 11561 C GLN B 203 150.957 219.505 222.739 1.00 35.05 C +ATOM 11562 O GLN B 203 150.866 218.280 222.730 1.00 31.73 O +ATOM 11563 CB GLN B 203 150.928 220.810 224.870 1.00 34.04 C +ATOM 11564 CG GLN B 203 150.246 219.767 225.741 1.00 43.33 C +ATOM 11565 CD GLN B 203 149.232 220.368 226.697 1.00 51.23 C +ATOM 11566 OE1 GLN B 203 148.896 221.547 226.604 1.00 52.12 O +ATOM 11567 NE2 GLN B 203 148.739 219.555 227.623 1.00 51.85 N +ATOM 11568 H GLN B 203 152.458 222.051 223.434 1.00 42.13 H +ATOM 11569 HA GLN B 203 152.400 219.558 224.189 1.00 42.54 H +ATOM 11570 HB2 GLN B 203 151.472 221.369 225.448 1.00 40.84 H +ATOM 11571 HB3 GLN B 203 150.236 221.345 224.452 1.00 40.84 H +ATOM 11572 HG2 GLN B 203 149.782 219.134 225.171 1.00 51.99 H +ATOM 11573 HG3 GLN B 203 150.918 219.307 226.268 1.00 51.99 H +ATOM 11574 HE21 GLN B 203 148.998 218.735 227.658 1.00 62.22 H +ATOM 11575 HE22 GLN B 203 148.161 219.847 228.189 1.00 62.22 H +ATOM 11576 N HIS B 204 150.333 220.281 221.861 1.00 30.56 N +ATOM 11577 CA HIS B 204 149.434 219.728 220.856 1.00 30.58 C +ATOM 11578 C HIS B 204 150.181 218.831 219.875 1.00 33.63 C +ATOM 11579 O HIS B 204 149.784 217.690 219.635 1.00 27.19 O +ATOM 11580 CB HIS B 204 148.728 220.854 220.100 1.00 26.44 C +ATOM 11581 CG HIS B 204 147.714 220.374 219.110 1.00 23.03 C +ATOM 11582 ND1 HIS B 204 147.972 220.293 217.758 1.00 24.48 N +ATOM 11583 CD2 HIS B 204 146.438 219.953 219.275 1.00 24.47 C +ATOM 11584 CE1 HIS B 204 146.899 219.841 217.135 1.00 27.04 C +ATOM 11585 NE2 HIS B 204 145.955 219.627 218.032 1.00 22.94 N +ATOM 11586 H HIS B 204 150.413 221.136 221.827 1.00 36.67 H +ATOM 11587 HA HIS B 204 148.757 219.192 221.298 1.00 36.70 H +ATOM 11588 HB2 HIS B 204 148.272 221.422 220.740 1.00 31.72 H +ATOM 11589 HB3 HIS B 204 149.393 221.370 219.616 1.00 31.72 H +ATOM 11590 HD1 HIS B 204 148.716 220.503 217.380 1.00 29.38 H +ATOM 11591 HD2 HIS B 204 145.976 219.895 220.080 1.00 29.36 H +ATOM 11592 HE1 HIS B 204 146.822 219.698 216.219 1.00 32.44 H +ATOM 11593 N PHE B 205 151.264 219.358 219.315 1.00 29.68 N +ATOM 11594 CA PHE B 205 152.037 218.651 218.300 1.00 32.70 C +ATOM 11595 C PHE B 205 152.645 217.352 218.824 1.00 27.85 C +ATOM 11596 O PHE B 205 152.517 216.312 218.186 1.00 23.90 O +ATOM 11597 CB PHE B 205 153.139 219.564 217.750 1.00 30.91 C +ATOM 11598 CG PHE B 205 154.178 218.849 216.936 1.00 25.59 C +ATOM 11599 CD1 PHE B 205 153.861 218.299 215.706 1.00 31.18 C +ATOM 11600 CD2 PHE B 205 155.478 218.740 217.397 1.00 32.26 C +ATOM 11601 CE1 PHE B 205 154.821 217.646 214.959 1.00 25.96 C +ATOM 11602 CE2 PHE B 205 156.442 218.090 216.650 1.00 29.55 C +ATOM 11603 CZ PHE B 205 156.114 217.544 215.432 1.00 25.78 C +ATOM 11604 H PHE B 205 151.577 220.135 219.509 1.00 35.62 H +ATOM 11605 HA PHE B 205 151.447 218.423 217.563 1.00 39.24 H +ATOM 11606 HB2 PHE B 205 152.732 220.238 217.183 1.00 37.09 H +ATOM 11607 HB3 PHE B 205 153.590 219.992 218.495 1.00 37.09 H +ATOM 11608 HD1 PHE B 205 152.992 218.365 215.382 1.00 37.42 H +ATOM 11609 HD2 PHE B 205 155.706 219.108 218.220 1.00 38.71 H +ATOM 11610 HE1 PHE B 205 154.597 217.278 214.134 1.00 31.15 H +ATOM 11611 HE2 PHE B 205 157.312 218.021 216.972 1.00 35.46 H +ATOM 11612 HZ PHE B 205 156.761 217.104 214.929 1.00 30.94 H +ATOM 11613 N THR B 206 153.295 217.404 219.983 1.00 26.23 N +ATOM 11614 CA THR B 206 154.020 216.241 220.488 1.00 27.43 C +ATOM 11615 C THR B 206 153.097 215.149 221.018 1.00 33.53 C +ATOM 11616 O THR B 206 153.488 213.984 221.085 1.00 29.08 O +ATOM 11617 CB THR B 206 155.005 216.615 221.618 1.00 28.76 C +ATOM 11618 OG1 THR B 206 154.283 217.090 222.763 1.00 30.30 O +ATOM 11619 CG2 THR B 206 156.002 217.665 221.151 1.00 26.89 C +ATOM 11620 H THR B 206 153.332 218.096 220.493 1.00 31.48 H +ATOM 11621 HA THR B 206 154.537 215.861 219.761 1.00 32.92 H +ATOM 11622 HB THR B 206 155.505 215.823 221.871 1.00 34.51 H +ATOM 11623 HG1 THR B 206 153.834 217.770 222.557 1.00 36.36 H +ATOM 11624 HG21 THR B 206 156.611 217.887 221.871 1.00 32.27 H +ATOM 11625 HG22 THR B 206 156.512 217.325 220.399 1.00 32.27 H +ATOM 11626 HG23 THR B 206 155.532 218.468 220.876 1.00 32.27 H +ATOM 11627 N HIS B 207 151.876 215.516 221.390 1.00 32.48 N +ATOM 11628 CA HIS B 207 150.954 214.549 221.977 1.00 28.23 C +ATOM 11629 C HIS B 207 150.315 213.651 220.926 1.00 23.46 C +ATOM 11630 O HIS B 207 149.426 212.866 221.238 1.00 31.72 O +ATOM 11631 CB HIS B 207 149.878 215.262 222.790 1.00 35.85 C +ATOM 11632 CG HIS B 207 150.285 215.531 224.204 1.00 42.23 C +ATOM 11633 ND1 HIS B 207 151.475 216.145 224.530 1.00 46.71 N +ATOM 11634 CD2 HIS B 207 149.672 215.250 225.377 1.00 42.83 C +ATOM 11635 CE1 HIS B 207 151.572 216.240 225.844 1.00 45.02 C +ATOM 11636 NE2 HIS B 207 150.490 215.706 226.382 1.00 53.15 N +ATOM 11637 H HIS B 207 151.557 216.311 221.314 1.00 38.97 H +ATOM 11638 HA HIS B 207 151.451 213.980 222.585 1.00 33.88 H +ATOM 11639 HB2 HIS B 207 149.679 216.114 222.370 1.00 43.02 H +ATOM 11640 HB3 HIS B 207 149.081 214.710 222.809 1.00 43.02 H +ATOM 11641 HD2 HIS B 207 148.848 214.832 225.483 1.00 51.39 H +ATOM 11642 HE1 HIS B 207 152.280 216.620 226.311 1.00 54.03 H +ATOM 11643 HE2 HIS B 207 150.326 215.651 227.224 1.00 63.78 H +ATOM 11644 N GLN B 208 150.774 213.747 219.684 1.00 22.65 N +ATOM 11645 CA GLN B 208 150.369 212.778 218.677 1.00 26.43 C +ATOM 11646 C GLN B 208 151.293 211.558 218.709 1.00 22.33 C +ATOM 11647 O GLN B 208 150.885 210.468 218.313 1.00 18.86 O +ATOM 11648 CB GLN B 208 150.349 213.408 217.285 1.00 19.63 C +ATOM 11649 CG GLN B 208 151.707 213.619 216.647 1.00 27.32 C +ATOM 11650 CD GLN B 208 151.609 214.446 215.382 1.00 21.49 C +ATOM 11651 OE1 GLN B 208 151.219 213.944 214.329 1.00 18.30 O +ATOM 11652 NE2 GLN B 208 151.946 215.723 215.484 1.00 19.60 N +ATOM 11653 H GLN B 208 151.312 214.356 219.402 1.00 27.18 H +ATOM 11654 HA GLN B 208 149.470 212.474 218.878 1.00 31.72 H +ATOM 11655 HB2 GLN B 208 149.837 212.833 216.695 1.00 23.55 H +ATOM 11656 HB3 GLN B 208 149.919 214.275 217.347 1.00 23.55 H +ATOM 11657 HG2 GLN B 208 152.284 214.087 217.271 1.00 32.78 H +ATOM 11658 HG3 GLN B 208 152.090 212.758 216.417 1.00 32.78 H +ATOM 11659 HE21 GLN B 208 152.203 216.042 216.240 1.00 23.52 H +ATOM 11660 HE22 GLN B 208 151.907 216.235 214.793 1.00 23.52 H +ATOM 11661 N PHE B 209 152.524 211.730 219.193 1.00 21.09 N +ATOM 11662 CA PHE B 209 153.446 210.596 219.309 1.00 31.88 C +ATOM 11663 C PHE B 209 153.916 210.320 220.745 1.00 23.37 C +ATOM 11664 O PHE B 209 154.504 209.272 221.005 1.00 28.27 O +ATOM 11665 CB PHE B 209 154.660 210.773 218.380 1.00 21.88 C +ATOM 11666 CG PHE B 209 155.313 212.124 218.434 1.00 18.58 C +ATOM 11667 CD1 PHE B 209 156.074 212.504 219.523 1.00 15.24 C +ATOM 11668 CD2 PHE B 209 155.217 212.989 217.356 1.00 22.40 C +ATOM 11669 CE1 PHE B 209 156.693 213.736 219.553 1.00 18.79 C +ATOM 11670 CE2 PHE B 209 155.837 214.221 217.381 1.00 21.95 C +ATOM 11671 CZ PHE B 209 156.576 214.594 218.479 1.00 22.25 C +ATOM 11672 H PHE B 209 152.847 212.482 219.458 1.00 25.31 H +ATOM 11673 HA PHE B 209 152.977 209.802 219.010 1.00 38.26 H +ATOM 11674 HB2 PHE B 209 155.331 210.115 218.621 1.00 26.26 H +ATOM 11675 HB3 PHE B 209 154.373 210.624 217.466 1.00 26.26 H +ATOM 11676 HD1 PHE B 209 156.156 211.930 220.250 1.00 18.29 H +ATOM 11677 HD2 PHE B 209 154.718 212.741 216.612 1.00 26.88 H +ATOM 11678 HE1 PHE B 209 157.193 213.987 220.296 1.00 22.54 H +ATOM 11679 HE2 PHE B 209 155.755 214.799 216.657 1.00 26.34 H +ATOM 11680 HZ PHE B 209 156.992 215.426 218.501 1.00 26.70 H +ATOM 11681 N PHE B 210 153.646 211.232 221.674 1.00 23.68 N +ATOM 11682 CA PHE B 210 153.776 210.919 223.098 1.00 23.64 C +ATOM 11683 C PHE B 210 152.401 210.541 223.633 1.00 30.28 C +ATOM 11684 O PHE B 210 151.614 211.405 224.017 1.00 31.32 O +ATOM 11685 CB PHE B 210 154.346 212.093 223.896 1.00 30.62 C +ATOM 11686 CG PHE B 210 155.735 212.492 223.492 1.00 27.72 C +ATOM 11687 CD1 PHE B 210 156.659 211.547 223.081 1.00 26.53 C +ATOM 11688 CD2 PHE B 210 156.118 213.820 223.533 1.00 23.82 C +ATOM 11689 CE1 PHE B 210 157.935 211.925 222.716 1.00 26.56 C +ATOM 11690 CE2 PHE B 210 157.390 214.201 223.168 1.00 27.06 C +ATOM 11691 CZ PHE B 210 158.300 213.253 222.758 1.00 28.17 C +ATOM 11692 H PHE B 210 153.387 212.036 221.510 1.00 28.42 H +ATOM 11693 HA PHE B 210 154.368 210.158 223.208 1.00 28.37 H +ATOM 11694 HB2 PHE B 210 153.770 212.863 223.772 1.00 36.75 H +ATOM 11695 HB3 PHE B 210 154.370 211.849 224.835 1.00 36.75 H +ATOM 11696 HD1 PHE B 210 156.418 210.650 223.050 1.00 31.84 H +ATOM 11697 HD2 PHE B 210 155.507 214.465 223.809 1.00 28.58 H +ATOM 11698 HE1 PHE B 210 158.548 211.283 222.439 1.00 31.87 H +ATOM 11699 HE2 PHE B 210 157.634 215.098 223.199 1.00 32.47 H +ATOM 11700 HZ PHE B 210 159.160 213.509 222.512 1.00 33.81 H +ATOM 11701 N LYS B 211 152.118 209.242 223.637 1.00 29.54 N +ATOM 11702 CA LYS B 211 150.811 208.725 224.021 1.00 25.67 C +ATOM 11703 C LYS B 211 150.981 207.511 224.916 1.00 29.34 C +ATOM 11704 O LYS B 211 150.681 206.383 224.528 1.00 26.76 O +ATOM 11705 CB LYS B 211 149.993 208.369 222.781 1.00 33.37 C +ATOM 11706 CG LYS B 211 149.569 209.581 221.973 1.00 30.70 C +ATOM 11707 CD LYS B 211 149.078 209.197 220.593 1.00 28.27 C +ATOM 11708 CE LYS B 211 147.859 208.314 220.656 1.00 28.32 C +ATOM 11709 NZ LYS B 211 147.409 207.929 219.296 1.00 35.14 N +ATOM 11710 H LYS B 211 152.679 208.629 223.416 1.00 35.44 H +ATOM 11711 HA LYS B 211 150.330 209.405 224.518 1.00 30.80 H +ATOM 11712 HB2 LYS B 211 150.528 207.799 222.205 1.00 40.05 H +ATOM 11713 HB3 LYS B 211 149.191 207.899 223.057 1.00 40.05 H +ATOM 11714 HG2 LYS B 211 148.847 210.035 222.436 1.00 36.84 H +ATOM 11715 HG3 LYS B 211 150.327 210.177 221.870 1.00 36.84 H +ATOM 11716 HD2 LYS B 211 148.845 210.000 220.102 1.00 33.92 H +ATOM 11717 HD3 LYS B 211 149.779 208.713 220.129 1.00 33.92 H +ATOM 11718 HE2 LYS B 211 148.073 207.505 221.147 1.00 33.99 H +ATOM 11719 HE3 LYS B 211 147.138 208.793 221.092 1.00 33.99 H +ATOM 11720 HZ1 LYS B 211 146.689 207.408 219.350 1.00 42.17 H +ATOM 11721 HZ2 LYS B 211 147.205 208.657 218.826 1.00 42.17 H +ATOM 11722 HZ3 LYS B 211 148.056 207.485 218.876 1.00 42.17 H +ATOM 11723 N THR B 212 151.471 207.770 226.122 1.00 34.42 N +ATOM 11724 CA THR B 212 151.820 206.727 227.072 1.00 33.71 C +ATOM 11725 C THR B 212 150.608 205.868 227.437 1.00 35.24 C +ATOM 11726 O THR B 212 149.566 206.385 227.833 1.00 36.98 O +ATOM 11727 CB THR B 212 152.415 207.341 228.353 1.00 33.31 C +ATOM 11728 OG1 THR B 212 153.313 208.411 228.012 1.00 48.21 O +ATOM 11729 CG2 THR B 212 153.137 206.279 229.167 1.00 32.59 C +ATOM 11730 H THR B 212 151.613 208.564 226.419 1.00 41.30 H +ATOM 11731 HA THR B 212 152.490 206.149 226.676 1.00 40.45 H +ATOM 11732 HB THR B 212 151.694 207.695 228.896 1.00 39.98 H +ATOM 11733 HG21 THR B 212 153.508 206.675 229.971 1.00 39.11 H +ATOM 11734 HG22 THR B 212 152.518 205.576 229.418 1.00 39.11 H +ATOM 11735 HG23 THR B 212 153.857 205.894 228.643 1.00 39.11 H +ATOM 11736 N ASP B 213 150.753 204.555 227.291 1.00 42.41 N +ATOM 11737 CA ASP B 213 149.682 203.614 227.606 1.00 42.75 C +ATOM 11738 C ASP B 213 149.793 203.178 229.064 1.00 41.38 C +ATOM 11739 O ASP B 213 150.451 202.189 229.380 1.00 43.53 O +ATOM 11740 CB ASP B 213 149.743 202.402 226.670 1.00 47.29 C +ATOM 11741 CG ASP B 213 148.534 201.487 226.807 1.00 50.24 C +ATOM 11742 OD1 ASP B 213 147.718 201.699 227.726 1.00 42.05 O +ATOM 11743 OD2 ASP B 213 148.402 200.550 225.992 1.00 46.29 O +ATOM 11744 H ASP B 213 151.472 204.178 227.008 1.00 50.90 H +ATOM 11745 HA ASP B 213 148.824 204.051 227.483 1.00 51.30 H +ATOM 11746 HB2 ASP B 213 149.781 202.714 225.753 1.00 56.75 H +ATOM 11747 HB3 ASP B 213 150.536 201.884 226.878 1.00 56.75 H +ATOM 11748 N HIS B 214 149.142 203.918 229.953 1.00 40.60 N +ATOM 11749 CA HIS B 214 149.305 203.696 231.383 1.00 47.55 C +ATOM 11750 C HIS B 214 148.588 202.439 231.868 1.00 50.62 C +ATOM 11751 O HIS B 214 148.832 201.981 232.984 1.00 52.41 O +ATOM 11752 CB HIS B 214 148.821 204.920 232.158 1.00 45.38 C +ATOM 11753 CG HIS B 214 149.710 206.112 231.999 1.00 51.42 C +ATOM 11754 ND1 HIS B 214 151.032 206.109 232.390 1.00 48.04 N +ATOM 11755 CD2 HIS B 214 149.475 207.339 231.479 1.00 46.05 C +ATOM 11756 CE1 HIS B 214 151.570 207.285 232.125 1.00 51.55 C +ATOM 11757 NE2 HIS B 214 150.647 208.050 231.571 1.00 57.48 N +ATOM 11758 H HIS B 214 148.600 204.556 229.753 1.00 48.71 H +ATOM 11759 HA HIS B 214 150.250 203.585 231.572 1.00 57.06 H +ATOM 11760 HB2 HIS B 214 147.937 205.163 231.840 1.00 54.46 H +ATOM 11761 HB3 HIS B 214 148.784 204.700 233.102 1.00 54.46 H +ATOM 11762 HD2 HIS B 214 148.670 207.645 231.128 1.00 55.26 H +ATOM 11763 HE1 HIS B 214 152.450 207.533 232.298 1.00 61.85 H +ATOM 11764 HE2 HIS B 214 150.760 208.862 231.312 1.00 68.97 H +ATOM 11765 N LYS B 215 147.711 201.881 231.038 1.00 53.68 N +ATOM 11766 CA LYS B 215 147.157 200.557 231.302 1.00 54.55 C +ATOM 11767 C LYS B 215 148.291 199.541 231.373 1.00 60.36 C +ATOM 11768 O LYS B 215 148.288 198.647 232.218 1.00 77.52 O +ATOM 11769 CB LYS B 215 146.152 200.149 230.220 1.00 56.53 C +ATOM 11770 CG LYS B 215 144.698 200.365 230.594 1.00 71.88 C +ATOM 11771 CD LYS B 215 144.389 201.836 230.826 1.00 87.34 C +ATOM 11772 CE LYS B 215 143.064 202.014 231.543 1.00 95.48 C +ATOM 11773 NZ LYS B 215 142.907 203.399 232.063 1.00100.44 N +ATOM 11774 H LYS B 215 147.422 202.248 230.315 1.00 64.42 H +ATOM 11775 HA LYS B 215 146.700 200.565 232.158 1.00 65.46 H +ATOM 11776 HB2 LYS B 215 146.330 200.669 229.421 1.00 67.84 H +ATOM 11777 HB3 LYS B 215 146.268 199.206 230.028 1.00 67.84 H +ATOM 11778 HG2 LYS B 215 144.132 200.047 229.873 1.00 86.25 H +ATOM 11779 HG3 LYS B 215 144.503 199.881 231.412 1.00 86.25 H +ATOM 11780 HD2 LYS B 215 145.087 202.227 231.375 1.00104.81 H +ATOM 11781 HD3 LYS B 215 144.337 202.291 229.972 1.00104.81 H +ATOM 11782 HE2 LYS B 215 142.339 201.838 230.924 1.00114.58 H +ATOM 11783 HE3 LYS B 215 143.021 201.401 232.294 1.00114.58 H +ATOM 11784 HZ1 LYS B 215 142.124 203.480 232.479 1.00120.53 H +ATOM 11785 HZ2 LYS B 215 143.561 203.584 232.638 1.00120.53 H +ATOM 11786 HZ3 LYS B 215 142.940 203.981 231.391 1.00120.53 H +ATOM 11787 N ARG B 216 149.262 199.700 230.480 1.00 50.75 N +ATOM 11788 CA ARG B 216 150.393 198.788 230.384 1.00 40.82 C +ATOM 11789 C ARG B 216 151.554 199.208 231.272 1.00 33.46 C +ATOM 11790 O ARG B 216 152.182 198.380 231.929 1.00 43.55 O +ATOM 11791 CB ARG B 216 150.890 198.707 228.942 1.00 56.36 C +ATOM 11792 CG ARG B 216 149.867 198.237 227.928 1.00 49.10 C +ATOM 11793 CD ARG B 216 150.364 197.039 227.165 1.00 52.07 C +ATOM 11794 NE ARG B 216 149.966 197.035 225.761 1.00 63.56 N +ATOM 11795 CZ ARG B 216 149.890 195.938 225.013 1.00 74.62 C +ATOM 11796 NH1 ARG B 216 150.167 194.747 225.535 1.00 79.80 N +ATOM 11797 NH2 ARG B 216 149.526 196.026 223.744 1.00 78.25 N +ATOM 11798 H ARG B 216 149.287 200.342 229.908 1.00 60.90 H +ATOM 11799 HA ARG B 216 150.110 197.901 230.656 1.00 48.98 H +ATOM 11800 HB2 ARG B 216 151.187 199.589 228.670 1.00 67.63 H +ATOM 11801 HB3 ARG B 216 151.637 198.089 228.910 1.00 67.63 H +ATOM 11802 HG2 ARG B 216 149.050 197.989 228.388 1.00 58.93 H +ATOM 11803 HG3 ARG B 216 149.693 198.951 227.295 1.00 58.93 H +ATOM 11804 HD2 ARG B 216 151.333 197.025 227.199 1.00 62.49 H +ATOM 11805 HD3 ARG B 216 150.008 196.236 227.577 1.00 62.49 H +ATOM 11806 HE ARG B 216 149.695 197.776 225.418 1.00 76.27 H +ATOM 11807 HH11 ARG B 216 150.405 194.683 226.358 1.00 95.75 H +ATOM 11808 HH12 ARG B 216 150.113 194.041 225.046 1.00 95.75 H +ATOM 11809 HH21 ARG B 216 149.342 196.793 223.402 1.00 93.90 H +ATOM 11810 HH22 ARG B 216 149.471 195.316 223.262 1.00 93.90 H +ATOM 11811 N GLY B 217 151.849 200.502 231.261 1.00 36.42 N +ATOM 11812 CA GLY B 217 152.999 201.040 231.963 1.00 31.84 C +ATOM 11813 C GLY B 217 153.667 202.121 231.138 1.00 30.23 C +ATOM 11814 O GLY B 217 153.367 202.272 229.956 1.00 27.71 O +ATOM 11815 H GLY B 217 151.387 201.098 230.846 1.00 43.70 H +ATOM 11816 HA2 GLY B 217 152.720 201.420 232.811 1.00 38.21 H +ATOM 11817 HA3 GLY B 217 153.642 200.333 232.132 1.00 38.21 H +ATOM 11818 N PRO B 218 154.582 202.878 231.756 1.00 25.63 N +ATOM 11819 CA PRO B 218 155.260 204.000 231.096 1.00 28.02 C +ATOM 11820 C PRO B 218 156.115 203.590 229.895 1.00 31.24 C +ATOM 11821 O PRO B 218 156.454 204.439 229.073 1.00 26.16 O +ATOM 11822 CB PRO B 218 156.136 204.583 232.212 1.00 28.65 C +ATOM 11823 CG PRO B 218 156.283 203.499 233.205 1.00 27.46 C +ATOM 11824 CD PRO B 218 155.019 202.717 233.153 1.00 27.12 C +ATOM 11825 HA PRO B 218 154.612 204.666 230.817 1.00 33.63 H +ATOM 11826 HB2 PRO B 218 157.000 204.834 231.850 1.00 34.38 H +ATOM 11827 HB3 PRO B 218 155.694 205.351 232.607 1.00 34.38 H +ATOM 11828 HG2 PRO B 218 157.038 202.940 232.966 1.00 32.95 H +ATOM 11829 HG3 PRO B 218 156.409 203.882 234.087 1.00 32.95 H +ATOM 11830 HD2 PRO B 218 155.190 201.782 233.349 1.00 32.55 H +ATOM 11831 HD3 PRO B 218 154.362 203.094 233.759 1.00 32.55 H +ATOM 11832 N ALA B 219 156.452 202.309 229.797 1.00 30.96 N +ATOM 11833 CA ALA B 219 157.305 201.815 228.722 1.00 27.92 C +ATOM 11834 C ALA B 219 156.554 201.693 227.402 1.00 26.56 C +ATOM 11835 O ALA B 219 157.170 201.516 226.351 1.00 26.71 O +ATOM 11836 CB ALA B 219 157.900 200.469 229.103 1.00 26.89 C +ATOM 11837 H ALA B 219 156.197 201.699 230.347 1.00 37.15 H +ATOM 11838 HA ALA B 219 158.037 202.438 228.591 1.00 33.51 H +ATOM 11839 HB1 ALA B 219 158.463 200.156 228.378 1.00 32.27 H +ATOM 11840 HB2 ALA B 219 158.427 200.575 229.911 1.00 32.27 H +ATOM 11841 HB3 ALA B 219 157.179 199.839 229.258 1.00 32.27 H +ATOM 11842 N PHE B 220 155.230 201.792 227.463 1.00 21.30 N +ATOM 11843 CA PHE B 220 154.381 201.501 226.314 1.00 23.16 C +ATOM 11844 C PHE B 220 153.674 202.736 225.763 1.00 28.26 C +ATOM 11845 O PHE B 220 153.429 203.703 226.486 1.00 28.37 O +ATOM 11846 CB PHE B 220 153.352 200.438 226.698 1.00 32.46 C +ATOM 11847 CG PHE B 220 153.966 199.143 227.135 1.00 32.84 C +ATOM 11848 CD1 PHE B 220 154.226 198.901 228.473 1.00 39.70 C +ATOM 11849 CD2 PHE B 220 154.305 198.173 226.206 1.00 38.14 C +ATOM 11850 CE1 PHE B 220 154.799 197.709 228.879 1.00 47.54 C +ATOM 11851 CE2 PHE B 220 154.878 196.979 226.604 1.00 43.14 C +ATOM 11852 CZ PHE B 220 155.127 196.747 227.943 1.00 45.79 C +ATOM 11853 H PHE B 220 154.795 202.028 228.166 1.00 25.57 H +ATOM 11854 HA PHE B 220 154.932 201.136 225.604 1.00 27.79 H +ATOM 11855 HB2 PHE B 220 152.813 200.774 227.431 1.00 38.95 H +ATOM 11856 HB3 PHE B 220 152.788 200.256 225.930 1.00 38.95 H +ATOM 11857 HD1 PHE B 220 154.006 199.545 229.107 1.00 47.64 H +ATOM 11858 HD2 PHE B 220 154.139 198.324 225.303 1.00 45.77 H +ATOM 11859 HE1 PHE B 220 154.965 197.556 229.782 1.00 57.05 H +ATOM 11860 HE2 PHE B 220 155.098 196.334 225.971 1.00 51.77 H +ATOM 11861 HZ PHE B 220 155.512 195.946 228.214 1.00 54.94 H +ATOM 11862 N THR B 221 153.348 202.688 224.474 1.00 21.02 N +ATOM 11863 CA THR B 221 152.710 203.804 223.785 1.00 27.96 C +ATOM 11864 C THR B 221 151.503 203.347 222.977 1.00 28.05 C +ATOM 11865 O THR B 221 151.442 202.201 222.531 1.00 27.41 O +ATOM 11866 CB THR B 221 153.700 204.523 222.836 1.00 28.20 C +ATOM 11867 OG1 THR B 221 153.041 205.618 222.188 1.00 24.81 O +ATOM 11868 CG2 THR B 221 154.244 203.566 221.779 1.00 28.22 C +ATOM 11869 H THR B 221 153.490 202.006 223.969 1.00 25.23 H +ATOM 11870 HA THR B 221 152.404 204.447 224.443 1.00 33.55 H +ATOM 11871 HB THR B 221 154.448 204.862 223.352 1.00 33.84 H +ATOM 11872 HG1 THR B 221 152.763 206.166 222.761 1.00 29.77 H +ATOM 11873 HG21 THR B 221 154.861 204.034 221.195 1.00 33.86 H +ATOM 11874 HG22 THR B 221 154.711 202.831 222.207 1.00 33.86 H +ATOM 11875 HG23 THR B 221 153.515 203.210 221.248 1.00 33.86 H +ATOM 11876 N ASN B 222 150.546 204.253 222.796 1.00 30.16 N +ATOM 11877 CA ASN B 222 149.396 204.012 221.933 1.00 32.93 C +ATOM 11878 C ASN B 222 149.598 204.577 220.531 1.00 31.97 C +ATOM 11879 O ASN B 222 148.768 204.363 219.648 1.00 34.30 O +ATOM 11880 CB ASN B 222 148.132 204.620 222.543 1.00 39.20 C +ATOM 11881 CG ASN B 222 147.657 203.866 223.764 1.00 36.31 C +ATOM 11882 OD1 ASN B 222 147.619 202.637 223.774 1.00 40.11 O +ATOM 11883 ND2 ASN B 222 147.302 204.600 224.809 1.00 38.76 N +ATOM 11884 H ASN B 222 150.541 205.027 223.170 1.00 36.19 H +ATOM 11885 HA ASN B 222 149.258 203.055 221.852 1.00 39.51 H +ATOM 11886 HB2 ASN B 222 148.317 205.535 222.808 1.00 47.04 H +ATOM 11887 HB3 ASN B 222 147.421 204.602 221.884 1.00 47.04 H +ATOM 11888 HD21 ASN B 222 147.024 204.219 225.528 1.00 46.52 H +ATOM 11889 HD22 ASN B 222 147.349 205.458 224.767 1.00 46.52 H +ATOM 11890 N GLY B 223 150.696 205.304 220.337 1.00 27.88 N +ATOM 11891 CA GLY B 223 151.006 205.913 219.055 1.00 32.65 C +ATOM 11892 C GLY B 223 151.838 204.994 218.183 1.00 29.00 C +ATOM 11893 O GLY B 223 153.050 205.176 218.050 1.00 25.60 O +ATOM 11894 H GLY B 223 151.284 205.460 220.945 1.00 33.46 H +ATOM 11895 HA2 GLY B 223 150.182 206.122 218.587 1.00 39.19 H +ATOM 11896 HA3 GLY B 223 151.499 206.736 219.196 1.00 39.19 H +ATOM 11897 N LEU B 224 151.180 204.009 217.579 1.00 24.82 N +ATOM 11898 CA LEU B 224 151.865 202.974 216.815 1.00 32.57 C +ATOM 11899 C LEU B 224 152.351 203.477 215.459 1.00 34.54 C +ATOM 11900 O LEU B 224 153.017 202.748 214.724 1.00 34.68 O +ATOM 11901 CB LEU B 224 150.944 201.769 216.629 1.00 30.52 C +ATOM 11902 CG LEU B 224 150.392 201.155 217.922 1.00 36.44 C +ATOM 11903 CD1 LEU B 224 149.526 199.951 217.603 1.00 32.52 C +ATOM 11904 CD2 LEU B 224 151.509 200.767 218.886 1.00 29.20 C +ATOM 11905 H LEU B 224 150.325 203.918 217.597 1.00 29.79 H +ATOM 11906 HA LEU B 224 152.642 202.679 217.317 1.00 39.09 H +ATOM 11907 HB2 LEU B 224 150.185 202.043 216.090 1.00 36.62 H +ATOM 11908 HB3 LEU B 224 151.437 201.074 216.165 1.00 36.62 H +ATOM 11909 HG LEU B 224 149.834 201.812 218.365 1.00 43.73 H +ATOM 11910 HD11 LEU B 224 149.188 199.578 218.432 1.00 39.03 H +ATOM 11911 HD12 LEU B 224 148.788 200.234 217.041 1.00 39.03 H +ATOM 11912 HD13 LEU B 224 150.063 199.291 217.137 1.00 39.03 H +ATOM 11913 HD21 LEU B 224 151.116 200.385 219.686 1.00 35.04 H +ATOM 11914 HD22 LEU B 224 152.085 200.116 218.456 1.00 35.04 H +ATOM 11915 HD23 LEU B 224 152.018 201.560 219.114 1.00 35.04 H +ATOM 11916 N GLY B 225 152.008 204.716 215.127 1.00 29.33 N +ATOM 11917 CA GLY B 225 152.540 205.358 213.940 1.00 25.51 C +ATOM 11918 C GLY B 225 153.954 205.853 214.187 1.00 23.10 C +ATOM 11919 O GLY B 225 154.727 206.047 213.250 1.00 26.97 O +ATOM 11920 H GLY B 225 151.466 205.208 215.578 1.00 35.19 H +ATOM 11921 HA2 GLY B 225 152.554 204.728 213.203 1.00 30.61 H +ATOM 11922 HA3 GLY B 225 151.982 206.113 213.696 1.00 30.61 H +ATOM 11923 N HIS B 226 154.278 206.060 215.460 1.00 21.89 N +ATOM 11924 CA HIS B 226 155.612 206.476 215.888 1.00 25.54 C +ATOM 11925 C HIS B 226 156.138 207.672 215.100 1.00 27.46 C +ATOM 11926 O HIS B 226 157.237 207.639 214.546 1.00 28.42 O +ATOM 11927 CB HIS B 226 156.586 205.301 215.782 1.00 22.96 C +ATOM 11928 CG HIS B 226 156.419 204.290 216.871 1.00 17.66 C +ATOM 11929 ND1 HIS B 226 157.077 204.386 218.077 1.00 21.62 N +ATOM 11930 CD2 HIS B 226 155.660 203.172 216.945 1.00 18.94 C +ATOM 11931 CE1 HIS B 226 156.737 203.368 218.844 1.00 22.32 C +ATOM 11932 NE2 HIS B 226 155.877 202.616 218.181 1.00 22.51 N +ATOM 11933 H HIS B 226 153.727 205.963 216.113 1.00 26.27 H +ATOM 11934 HA HIS B 226 155.569 206.737 216.821 1.00 30.65 H +ATOM 11935 HB2 HIS B 226 156.444 204.851 214.934 1.00 27.55 H +ATOM 11936 HB3 HIS B 226 157.494 205.640 215.828 1.00 27.55 H +ATOM 11937 HD2 HIS B 226 155.098 202.841 216.281 1.00 22.73 H +ATOM 11938 HE1 HIS B 226 157.049 203.207 219.706 1.00 26.79 H +ATOM 11939 HE2 HIS B 226 155.514 201.895 218.476 1.00 27.02 H +ATOM 11940 N GLY B 227 155.347 208.737 215.063 1.00 27.17 N +ATOM 11941 CA GLY B 227 155.773 209.960 214.418 1.00 29.09 C +ATOM 11942 C GLY B 227 154.624 210.889 214.105 1.00 28.91 C +ATOM 11943 O GLY B 227 153.604 210.903 214.794 1.00 21.87 O +ATOM 11944 H GLY B 227 154.559 208.772 215.405 1.00 32.60 H +ATOM 11945 HA2 GLY B 227 156.396 210.428 214.996 1.00 34.91 H +ATOM 11946 HA3 GLY B 227 156.227 209.745 213.589 1.00 34.91 H +ATOM 11947 N VAL B 228 154.798 211.665 213.045 1.00 28.42 N +ATOM 11948 CA VAL B 228 153.841 212.693 212.672 1.00 28.40 C +ATOM 11949 C VAL B 228 152.834 212.154 211.658 1.00 25.01 C +ATOM 11950 O VAL B 228 152.956 212.396 210.459 1.00 24.78 O +ATOM 11951 CB VAL B 228 154.560 213.924 212.097 1.00 31.35 C +ATOM 11952 CG1 VAL B 228 153.578 215.066 211.871 1.00 24.61 C +ATOM 11953 CG2 VAL B 228 155.684 214.364 213.034 1.00 22.14 C +ATOM 11954 H VAL B 228 155.474 211.614 212.516 1.00 34.11 H +ATOM 11955 HA VAL B 228 153.353 212.972 213.462 1.00 34.08 H +ATOM 11956 HB VAL B 228 154.954 213.691 211.242 1.00 37.62 H +ATOM 11957 HG11 VAL B 228 154.057 215.827 211.508 1.00 29.53 H +ATOM 11958 HG12 VAL B 228 152.896 214.775 211.245 1.00 29.53 H +ATOM 11959 HG13 VAL B 228 153.170 215.304 212.718 1.00 29.53 H +ATOM 11960 HG21 VAL B 228 156.125 215.140 212.654 1.00 26.57 H +ATOM 11961 HG22 VAL B 228 155.304 214.588 213.898 1.00 26.57 H +ATOM 11962 HG23 VAL B 228 156.318 213.636 213.129 1.00 26.57 H +ATOM 11963 N ASP B 229 151.847 211.408 212.150 1.00 23.97 N +ATOM 11964 CA ASP B 229 150.789 210.867 211.303 1.00 27.01 C +ATOM 11965 C ASP B 229 149.482 211.639 211.482 1.00 24.82 C +ATOM 11966 O ASP B 229 148.493 211.366 210.805 1.00 23.71 O +ATOM 11967 CB ASP B 229 150.571 209.378 211.594 1.00 29.08 C +ATOM 11968 CG ASP B 229 150.200 209.100 213.040 1.00 21.85 C +ATOM 11969 OD1 ASP B 229 149.996 210.052 213.818 1.00 24.05 O +ATOM 11970 OD2 ASP B 229 150.102 207.908 213.395 1.00 27.55 O +ATOM 11971 H ASP B 229 151.768 211.199 212.980 1.00 28.77 H +ATOM 11972 HA ASP B 229 151.058 210.952 210.375 1.00 32.41 H +ATOM 11973 HB2 ASP B 229 149.852 209.049 211.032 1.00 34.89 H +ATOM 11974 HB3 ASP B 229 151.390 208.896 211.398 1.00 34.89 H +ATOM 11975 N LEU B 230 149.492 212.601 212.399 1.00 25.12 N +ATOM 11976 CA LEU B 230 148.333 213.444 212.674 1.00 31.00 C +ATOM 11977 C LEU B 230 147.145 212.613 213.179 1.00 33.81 C +ATOM 11978 O LEU B 230 145.986 212.909 212.880 1.00 28.55 O +ATOM 11979 CB LEU B 230 147.953 214.256 211.425 1.00 30.50 C +ATOM 11980 CG LEU B 230 148.513 215.685 211.395 1.00 27.33 C +ATOM 11981 CD1 LEU B 230 150.033 215.701 211.537 1.00 20.76 C +ATOM 11982 CD2 LEU B 230 148.087 216.387 210.124 1.00 26.62 C +ATOM 11983 H LEU B 230 150.175 212.790 212.886 1.00 30.14 H +ATOM 11984 HA LEU B 230 148.567 214.074 213.373 1.00 37.20 H +ATOM 11985 HB2 LEU B 230 148.288 213.793 210.641 1.00 36.60 H +ATOM 11986 HB3 LEU B 230 146.986 214.319 211.378 1.00 36.60 H +ATOM 11987 HG LEU B 230 148.143 216.179 212.143 1.00 32.80 H +ATOM 11988 HD11 LEU B 230 150.342 216.620 211.513 1.00 24.92 H +ATOM 11989 HD12 LEU B 230 150.275 215.292 212.382 1.00 24.92 H +ATOM 11990 HD13 LEU B 230 150.423 215.202 210.803 1.00 24.92 H +ATOM 11991 HD21 LEU B 230 148.450 217.286 210.124 1.00 31.95 H +ATOM 11992 HD22 LEU B 230 148.426 215.892 209.362 1.00 31.95 H +ATOM 11993 HD23 LEU B 230 147.118 216.420 210.093 1.00 31.95 H +ATOM 11994 N ASN B 231 147.441 211.581 213.964 1.00 22.92 N +ATOM 11995 CA ASN B 231 146.395 210.789 214.596 1.00 31.08 C +ATOM 11996 C ASN B 231 145.654 211.603 215.652 1.00 25.20 C +ATOM 11997 O ASN B 231 144.525 211.284 216.023 1.00 21.30 O +ATOM 11998 CB ASN B 231 146.981 209.530 215.234 1.00 26.55 C +ATOM 11999 CG ASN B 231 147.790 209.827 216.480 1.00 26.91 C +ATOM 12000 OD1 ASN B 231 147.247 209.912 217.579 1.00 26.37 O +ATOM 12001 ND2 ASN B 231 149.096 209.985 216.314 1.00 27.40 N +ATOM 12002 H ASN B 231 148.241 211.320 214.145 1.00 27.51 H +ATOM 12003 HA ASN B 231 145.754 210.516 213.922 1.00 37.29 H +ATOM 12004 HB2 ASN B 231 146.256 208.935 215.481 1.00 31.86 H +ATOM 12005 HB3 ASN B 231 147.565 209.094 214.594 1.00 31.86 H +ATOM 12006 HD21 ASN B 231 149.598 210.155 216.992 1.00 32.88 H +ATOM 12007 HD22 ASN B 231 149.441 209.917 215.530 1.00 32.88 H +ATOM 12008 N HIS B 232 146.297 212.657 216.140 1.00 22.04 N +ATOM 12009 CA HIS B 232 145.676 213.515 217.137 1.00 30.13 C +ATOM 12010 C HIS B 232 144.578 214.387 216.515 1.00 28.87 C +ATOM 12011 O HIS B 232 143.844 215.068 217.229 1.00 24.51 O +ATOM 12012 CB HIS B 232 146.730 214.379 217.838 1.00 26.46 C +ATOM 12013 CG HIS B 232 147.449 215.334 216.937 1.00 24.70 C +ATOM 12014 ND1 HIS B 232 147.640 215.104 215.592 1.00 24.48 N +ATOM 12015 CD2 HIS B 232 148.040 216.524 217.200 1.00 23.80 C +ATOM 12016 CE1 HIS B 232 148.310 216.113 215.064 1.00 22.24 C +ATOM 12017 NE2 HIS B 232 148.566 216.987 216.019 1.00 23.97 N +ATOM 12018 H HIS B 232 147.091 212.896 215.911 1.00 26.45 H +ATOM 12019 HA HIS B 232 145.260 212.955 217.811 1.00 36.16 H +ATOM 12020 HB2 HIS B 232 146.293 214.900 218.531 1.00 31.76 H +ATOM 12021 HB3 HIS B 232 147.393 213.795 218.238 1.00 31.76 H +ATOM 12022 HD2 HIS B 232 148.081 216.949 218.026 1.00 28.56 H +ATOM 12023 HE1 HIS B 232 148.559 216.193 214.172 1.00 26.69 H +ATOM 12024 HE2 HIS B 232 148.991 217.728 215.918 1.00 28.76 H +ATOM 12025 N ILE B 233 144.467 214.339 215.189 1.00 27.14 N +ATOM 12026 CA ILE B 233 143.374 214.979 214.459 1.00 26.55 C +ATOM 12027 C ILE B 233 142.396 213.937 213.917 1.00 30.86 C +ATOM 12028 O ILE B 233 141.179 214.094 214.038 1.00 30.65 O +ATOM 12029 CB ILE B 233 143.901 215.826 213.281 1.00 27.03 C +ATOM 12030 CG1 ILE B 233 144.678 217.035 213.798 1.00 26.78 C +ATOM 12031 CG2 ILE B 233 142.747 216.298 212.378 1.00 32.92 C +ATOM 12032 CD1 ILE B 233 145.460 217.757 212.721 1.00 35.77 C +ATOM 12033 H ILE B 233 145.026 213.933 214.678 1.00 32.57 H +ATOM 12034 HA ILE B 233 142.890 215.565 215.061 1.00 31.86 H +ATOM 12035 HB ILE B 233 144.501 215.278 212.751 1.00 32.43 H +ATOM 12036 HG12 ILE B 233 144.052 217.668 214.185 1.00 32.13 H +ATOM 12037 HG13 ILE B 233 145.307 216.738 214.474 1.00 32.13 H +ATOM 12038 HG21 ILE B 233 143.111 216.826 211.650 1.00 39.50 H +ATOM 12039 HG22 ILE B 233 142.284 215.521 212.026 1.00 39.50 H +ATOM 12040 HG23 ILE B 233 142.135 216.837 212.905 1.00 39.50 H +ATOM 12041 HD11 ILE B 233 145.925 218.509 213.120 1.00 42.92 H +ATOM 12042 HD12 ILE B 233 146.100 217.141 212.330 1.00 42.92 H +ATOM 12043 HD13 ILE B 233 144.844 218.071 212.041 1.00 42.92 H +ATOM 12044 N TYR B 234 142.934 212.875 213.323 1.00 21.82 N +ATOM 12045 CA TYR B 234 142.123 211.908 212.588 1.00 26.76 C +ATOM 12046 C TYR B 234 141.821 210.632 213.368 1.00 25.04 C +ATOM 12047 O TYR B 234 140.979 209.840 212.955 1.00 24.77 O +ATOM 12048 CB TYR B 234 142.818 211.534 211.280 1.00 27.74 C +ATOM 12049 CG TYR B 234 143.099 212.714 210.387 1.00 30.60 C +ATOM 12050 CD1 TYR B 234 142.071 213.363 209.713 1.00 30.89 C +ATOM 12051 CD2 TYR B 234 144.393 213.181 210.214 1.00 31.69 C +ATOM 12052 CE1 TYR B 234 142.331 214.444 208.894 1.00 35.63 C +ATOM 12053 CE2 TYR B 234 144.658 214.257 209.401 1.00 32.15 C +ATOM 12054 CZ TYR B 234 143.629 214.883 208.743 1.00 34.60 C +ATOM 12055 OH TYR B 234 143.914 215.955 207.937 1.00 35.09 O +ATOM 12056 H TYR B 234 143.774 212.691 213.331 1.00 26.19 H +ATOM 12057 HA TYR B 234 141.276 212.323 212.363 1.00 32.11 H +ATOM 12058 HB2 TYR B 234 143.665 211.109 211.486 1.00 33.29 H +ATOM 12059 HB3 TYR B 234 142.251 210.918 210.790 1.00 33.29 H +ATOM 12060 HD1 TYR B 234 141.196 213.064 209.815 1.00 37.07 H +ATOM 12061 HD2 TYR B 234 145.094 212.760 210.657 1.00 38.03 H +ATOM 12062 HE1 TYR B 234 141.636 214.871 208.447 1.00 42.76 H +ATOM 12063 HE2 TYR B 234 145.531 214.558 209.295 1.00 38.58 H +ATOM 12064 HH TYR B 234 143.207 216.252 207.594 1.00 42.11 H +ATOM 12065 N GLY B 235 142.509 210.434 214.485 1.00 25.63 N +ATOM 12066 CA GLY B 235 142.347 209.226 215.272 1.00 28.48 C +ATOM 12067 C GLY B 235 143.394 208.176 214.944 1.00 31.22 C +ATOM 12068 O GLY B 235 143.867 208.077 213.810 1.00 24.85 O +ATOM 12069 H GLY B 235 143.080 210.990 214.809 1.00 30.75 H +ATOM 12070 HA2 GLY B 235 142.414 209.443 216.215 1.00 34.17 H +ATOM 12071 HA3 GLY B 235 141.470 208.847 215.105 1.00 34.17 H +ATOM 12072 N GLU B 236 143.749 207.388 215.951 1.00 34.15 N +ATOM 12073 CA GLU B 236 144.761 206.350 215.808 1.00 34.35 C +ATOM 12074 C GLU B 236 144.258 205.202 214.935 1.00 36.54 C +ATOM 12075 O GLU B 236 144.964 204.741 214.040 1.00 42.61 O +ATOM 12076 CB GLU B 236 145.173 205.833 217.191 1.00 27.97 C +ATOM 12077 CG GLU B 236 146.192 204.701 217.187 1.00 39.64 C +ATOM 12078 CD GLU B 236 147.596 205.144 216.805 1.00 41.27 C +ATOM 12079 OE1 GLU B 236 147.928 206.341 216.964 1.00 29.13 O +ATOM 12080 OE2 GLU B 236 148.374 204.282 216.349 1.00 38.82 O +ATOM 12081 H GLU B 236 143.412 207.435 216.740 1.00 40.98 H +ATOM 12082 HA GLU B 236 145.546 206.729 215.383 1.00 41.22 H +ATOM 12083 HB2 GLU B 236 145.556 206.569 217.693 1.00 33.56 H +ATOM 12084 HB3 GLU B 236 144.380 205.509 217.646 1.00 33.56 H +ATOM 12085 HG2 GLU B 236 146.234 204.315 218.076 1.00 47.57 H +ATOM 12086 HG3 GLU B 236 145.910 204.028 216.549 1.00 47.57 H +ATOM 12087 N THR B 237 143.035 204.751 215.195 1.00 33.52 N +ATOM 12088 CA THR B 237 142.459 203.614 214.481 1.00 30.36 C +ATOM 12089 C THR B 237 141.500 204.050 213.379 1.00 33.76 C +ATOM 12090 O THR B 237 140.998 205.176 213.382 1.00 31.48 O +ATOM 12091 CB THR B 237 141.700 202.679 215.439 1.00 36.91 C +ATOM 12092 OG1 THR B 237 140.519 203.333 215.919 1.00 39.40 O +ATOM 12093 CG2 THR B 237 142.582 202.284 216.616 1.00 48.36 C +ATOM 12094 H THR B 237 142.512 205.091 215.787 1.00 40.22 H +ATOM 12095 HA THR B 237 143.175 203.105 214.070 1.00 36.43 H +ATOM 12096 HB THR B 237 141.448 201.872 214.964 1.00 44.29 H +ATOM 12097 HG1 THR B 237 140.102 202.825 216.442 1.00 47.28 H +ATOM 12098 HG21 THR B 237 142.094 201.695 217.213 1.00 58.03 H +ATOM 12099 HG22 THR B 237 143.374 201.823 216.297 1.00 58.03 H +ATOM 12100 HG23 THR B 237 142.854 203.075 217.107 1.00 58.03 H +ATOM 12101 N LEU B 238 141.248 203.148 212.436 1.00 29.60 N +ATOM 12102 CA LEU B 238 140.307 203.418 211.358 1.00 33.71 C +ATOM 12103 C LEU B 238 138.897 203.584 211.907 1.00 37.05 C +ATOM 12104 O LEU B 238 138.120 204.394 211.408 1.00 33.20 O +ATOM 12105 CB LEU B 238 140.334 202.297 210.321 1.00 29.64 C +ATOM 12106 CG LEU B 238 139.342 202.458 209.164 1.00 40.16 C +ATOM 12107 CD1 LEU B 238 139.663 203.701 208.348 1.00 38.61 C +ATOM 12108 CD2 LEU B 238 139.332 201.220 208.281 1.00 43.63 C +ATOM 12109 H LEU B 238 141.610 202.369 212.398 1.00 35.52 H +ATOM 12110 HA LEU B 238 140.558 204.245 210.916 1.00 40.46 H +ATOM 12111 HB2 LEU B 238 141.225 202.253 209.938 1.00 35.56 H +ATOM 12112 HB3 LEU B 238 140.130 201.460 210.766 1.00 35.56 H +ATOM 12113 HG LEU B 238 138.451 202.567 209.530 1.00 48.19 H +ATOM 12114 HD11 LEU B 238 139.021 203.778 207.624 1.00 46.33 H +ATOM 12115 HD12 LEU B 238 139.607 204.480 208.924 1.00 46.33 H +ATOM 12116 HD13 LEU B 238 140.560 203.619 207.987 1.00 46.33 H +ATOM 12117 HD21 LEU B 238 138.697 201.352 207.560 1.00 52.35 H +ATOM 12118 HD22 LEU B 238 140.221 201.085 207.918 1.00 52.35 H +ATOM 12119 HD23 LEU B 238 139.072 200.454 208.816 1.00 52.35 H +ATOM 12120 N ALA B 239 138.573 202.808 212.935 1.00 39.09 N +ATOM 12121 CA ALA B 239 137.257 202.873 213.560 1.00 33.36 C +ATOM 12122 C ALA B 239 136.978 204.272 214.094 1.00 33.07 C +ATOM 12123 O ALA B 239 135.888 204.812 213.902 1.00 34.46 O +ATOM 12124 CB ALA B 239 137.154 201.851 214.678 1.00 24.91 C +ATOM 12125 H ALA B 239 139.101 202.231 213.292 1.00 46.91 H +ATOM 12126 HA ALA B 239 136.581 202.663 212.897 1.00 40.03 H +ATOM 12127 HB1 ALA B 239 136.273 201.911 215.079 1.00 29.89 H +ATOM 12128 HB2 ALA B 239 137.290 200.964 214.308 1.00 29.89 H +ATOM 12129 HB3 ALA B 239 137.834 202.041 215.343 1.00 29.89 H +ATOM 12130 N ARG B 240 137.966 204.857 214.761 1.00 30.53 N +ATOM 12131 CA ARG B 240 137.809 206.190 215.326 1.00 32.46 C +ATOM 12132 C ARG B 240 137.743 207.232 214.216 1.00 30.37 C +ATOM 12133 O ARG B 240 136.942 208.161 214.282 1.00 33.63 O +ATOM 12134 CB ARG B 240 138.954 206.511 216.289 1.00 32.35 C +ATOM 12135 CG ARG B 240 138.776 207.831 217.031 1.00 40.15 C +ATOM 12136 CD ARG B 240 139.764 207.970 218.176 1.00 36.74 C +ATOM 12137 NE ARG B 240 139.652 209.265 218.844 1.00 42.08 N +ATOM 12138 CZ ARG B 240 138.842 209.526 219.867 1.00 42.85 C +ATOM 12139 NH1 ARG B 240 138.052 208.582 220.364 1.00 42.20 N +ATOM 12140 NH2 ARG B 240 138.820 210.740 220.396 1.00 41.85 N +ATOM 12141 H ARG B 240 138.737 204.503 214.900 1.00 36.64 H +ATOM 12142 HA ARG B 240 136.978 206.228 215.823 1.00 38.95 H +ATOM 12143 HB2 ARG B 240 139.014 205.804 216.950 1.00 38.82 H +ATOM 12144 HB3 ARG B 240 139.781 206.563 215.785 1.00 38.82 H +ATOM 12145 HG2 ARG B 240 138.921 208.566 216.415 1.00 48.18 H +ATOM 12146 HG3 ARG B 240 137.879 207.872 217.398 1.00 48.18 H +ATOM 12147 HD2 ARG B 240 139.590 207.276 218.831 1.00 44.09 H +ATOM 12148 HD3 ARG B 240 140.666 207.885 217.830 1.00 44.09 H +ATOM 12149 HE ARG B 240 140.146 209.906 218.554 1.00 50.49 H +ATOM 12150 HH11 ARG B 240 138.060 207.792 220.025 1.00 50.64 H +ATOM 12151 HH12 ARG B 240 137.532 208.761 221.025 1.00 50.64 H +ATOM 12152 HH21 ARG B 240 139.329 211.356 220.079 1.00 50.22 H +ATOM 12153 HH22 ARG B 240 138.298 210.911 221.057 1.00 50.22 H +ATOM 12154 N GLN B 241 138.586 207.068 213.200 1.00 30.67 N +ATOM 12155 CA GLN B 241 138.578 207.947 212.035 1.00 32.21 C +ATOM 12156 C GLN B 241 137.188 208.034 211.419 1.00 34.35 C +ATOM 12157 O GLN B 241 136.729 209.111 211.043 1.00 28.43 O +ATOM 12158 CB GLN B 241 139.578 207.455 210.986 1.00 27.76 C +ATOM 12159 CG GLN B 241 139.628 208.294 209.712 1.00 27.63 C +ATOM 12160 CD GLN B 241 140.259 207.560 208.545 1.00 31.03 C +ATOM 12161 OE1 GLN B 241 139.587 207.242 207.564 1.00 35.15 O +ATOM 12162 NE2 GLN B 241 141.554 207.294 208.639 1.00 36.12 N +ATOM 12163 H GLN B 241 139.179 206.447 213.161 1.00 36.80 H +ATOM 12164 HA GLN B 241 138.842 208.839 212.309 1.00 38.65 H +ATOM 12165 HB2 GLN B 241 140.466 207.461 211.377 1.00 33.31 H +ATOM 12166 HB3 GLN B 241 139.341 206.549 210.732 1.00 33.31 H +ATOM 12167 HG2 GLN B 241 138.724 208.538 209.459 1.00 33.16 H +ATOM 12168 HG3 GLN B 241 140.152 209.093 209.880 1.00 33.16 H +ATOM 12169 HE21 GLN B 241 141.994 207.538 209.337 1.00 43.34 H +ATOM 12170 HE22 GLN B 241 141.955 206.879 208.001 1.00 43.34 H +ATOM 12171 N ARG B 242 136.524 206.889 211.319 1.00 34.12 N +ATOM 12172 CA ARG B 242 135.221 206.818 210.679 1.00 34.55 C +ATOM 12173 C ARG B 242 134.150 207.536 211.493 1.00 34.09 C +ATOM 12174 O ARG B 242 133.205 208.087 210.934 1.00 32.04 O +ATOM 12175 CB ARG B 242 134.830 205.361 210.452 1.00 30.40 C +ATOM 12176 CG ARG B 242 135.600 204.711 209.321 1.00 33.07 C +ATOM 12177 CD ARG B 242 135.194 203.271 209.121 1.00 39.25 C +ATOM 12178 NE ARG B 242 135.758 202.726 207.893 1.00 50.28 N +ATOM 12179 CZ ARG B 242 135.460 201.530 207.396 1.00 60.08 C +ATOM 12180 NH1 ARG B 242 134.593 200.742 208.020 1.00 74.55 N +ATOM 12181 NH2 ARG B 242 136.027 201.123 206.271 1.00 72.80 N +ATOM 12182 H ARG B 242 136.811 206.135 211.617 1.00 40.94 H +ATOM 12183 HA ARG B 242 135.274 207.250 209.812 1.00 41.46 H +ATOM 12184 HB2 ARG B 242 135.006 204.858 211.262 1.00 36.48 H +ATOM 12185 HB3 ARG B 242 133.885 205.318 210.235 1.00 36.48 H +ATOM 12186 HG2 ARG B 242 135.424 205.192 208.497 1.00 39.69 H +ATOM 12187 HG3 ARG B 242 136.548 204.732 209.526 1.00 39.69 H +ATOM 12188 HD2 ARG B 242 135.517 202.741 209.866 1.00 47.10 H +ATOM 12189 HD3 ARG B 242 134.228 203.216 209.062 1.00 47.10 H +ATOM 12190 HE ARG B 242 136.323 203.210 207.461 1.00 60.34 H +ATOM 12191 HH11 ARG B 242 134.223 201.004 208.751 1.00 89.46 H +ATOM 12192 HH12 ARG B 242 134.403 199.970 207.695 1.00 89.46 H +ATOM 12193 HH21 ARG B 242 136.589 201.632 205.864 1.00 87.36 H +ATOM 12194 HH22 ARG B 242 135.834 200.350 205.947 1.00 87.36 H +ATOM 12195 N LYS B 243 134.305 207.531 212.812 1.00 31.55 N +ATOM 12196 CA LYS B 243 133.393 208.253 213.688 1.00 29.97 C +ATOM 12197 C LYS B 243 133.515 209.760 213.491 1.00 36.03 C +ATOM 12198 O LYS B 243 132.531 210.489 213.591 1.00 43.24 O +ATOM 12199 CB LYS B 243 133.664 207.906 215.150 1.00 26.46 C +ATOM 12200 CG LYS B 243 133.310 206.486 215.536 1.00 29.34 C +ATOM 12201 CD LYS B 243 133.653 206.225 216.990 1.00 38.54 C +ATOM 12202 CE LYS B 243 133.060 204.917 217.482 1.00 42.19 C +ATOM 12203 NZ LYS B 243 133.412 204.659 218.904 1.00 55.83 N +ATOM 12204 H LYS B 243 134.934 207.115 213.226 1.00 37.86 H +ATOM 12205 HA LYS B 243 132.481 207.994 213.480 1.00 35.96 H +ATOM 12206 HB2 LYS B 243 134.610 208.032 215.328 1.00 31.75 H +ATOM 12207 HB3 LYS B 243 133.144 208.502 215.712 1.00 31.75 H +ATOM 12208 HG2 LYS B 243 132.358 206.347 215.415 1.00 35.21 H +ATOM 12209 HG3 LYS B 243 133.815 205.867 214.985 1.00 35.21 H +ATOM 12210 HD2 LYS B 243 134.617 206.176 217.087 1.00 46.25 H +ATOM 12211 HD3 LYS B 243 133.297 206.943 217.536 1.00 46.25 H +ATOM 12212 HE2 LYS B 243 132.094 204.957 217.411 1.00 50.63 H +ATOM 12213 HE3 LYS B 243 133.407 204.187 216.946 1.00 50.63 H +ATOM 12214 HZ1 LYS B 243 133.055 203.889 219.171 1.00 66.99 H +ATOM 12215 HZ2 LYS B 243 134.297 204.615 218.995 1.00 66.99 H +ATOM 12216 HZ3 LYS B 243 133.101 205.316 219.418 1.00 66.99 H +ATOM 12217 N LEU B 244 134.730 210.221 213.215 1.00 39.52 N +ATOM 12218 CA LEU B 244 135.010 211.652 213.136 1.00 37.31 C +ATOM 12219 C LEU B 244 134.742 212.234 211.754 1.00 31.77 C +ATOM 12220 O LEU B 244 134.528 213.437 211.618 1.00 33.60 O +ATOM 12221 CB LEU B 244 136.462 211.924 213.528 1.00 33.79 C +ATOM 12222 CG LEU B 244 136.837 211.608 214.977 1.00 37.82 C +ATOM 12223 CD1 LEU B 244 138.335 211.787 215.185 1.00 33.00 C +ATOM 12224 CD2 LEU B 244 136.049 212.480 215.945 1.00 42.69 C +ATOM 12225 H LEU B 244 135.415 209.722 213.068 1.00 47.42 H +ATOM 12226 HA LEU B 244 134.440 212.116 213.768 1.00 44.77 H +ATOM 12227 HB2 LEU B 244 137.037 211.390 212.958 1.00 40.55 H +ATOM 12228 HB3 LEU B 244 136.647 212.865 213.381 1.00 40.55 H +ATOM 12229 HG LEU B 244 136.618 210.681 215.164 1.00 45.38 H +ATOM 12230 HD11 LEU B 244 138.552 211.582 216.108 1.00 39.60 H +ATOM 12231 HD12 LEU B 244 138.810 211.185 214.592 1.00 39.60 H +ATOM 12232 HD13 LEU B 244 138.573 212.706 214.985 1.00 39.60 H +ATOM 12233 HD21 LEU B 244 136.308 212.257 216.853 1.00 51.23 H +ATOM 12234 HD22 LEU B 244 136.248 213.412 215.763 1.00 51.23 H +ATOM 12235 HD23 LEU B 244 135.102 212.313 215.820 1.00 51.23 H +ATOM 12236 N ARG B 245 134.757 211.385 210.734 1.00 25.51 N +ATOM 12237 CA ARG B 245 134.590 211.850 209.363 1.00 29.85 C +ATOM 12238 C ARG B 245 133.127 212.105 209.015 1.00 33.54 C +ATOM 12239 O ARG B 245 132.219 211.540 209.625 1.00 32.69 O +ATOM 12240 CB ARG B 245 135.193 210.838 208.388 1.00 30.39 C +ATOM 12241 CG ARG B 245 136.705 210.949 208.249 1.00 27.68 C +ATOM 12242 CD ARG B 245 137.266 209.849 207.364 1.00 31.24 C +ATOM 12243 NE ARG B 245 136.793 209.940 205.986 1.00 30.28 N +ATOM 12244 CZ ARG B 245 137.054 209.038 205.044 1.00 35.40 C +ATOM 12245 NH1 ARG B 245 137.785 207.967 205.325 1.00 34.57 N +ATOM 12246 NH2 ARG B 245 136.584 209.205 203.818 1.00 28.61 N +ATOM 12247 H ARG B 245 134.862 210.535 210.809 1.00 30.61 H +ATOM 12248 HA ARG B 245 135.070 212.686 209.257 1.00 35.82 H +ATOM 12249 HB2 ARG B 245 134.989 209.942 208.700 1.00 36.47 H +ATOM 12250 HB3 ARG B 245 134.803 210.978 207.511 1.00 36.47 H +ATOM 12251 HG2 ARG B 245 136.927 211.804 207.848 1.00 33.22 H +ATOM 12252 HG3 ARG B 245 137.114 210.873 209.125 1.00 33.22 H +ATOM 12253 HD2 ARG B 245 138.234 209.913 207.354 1.00 37.49 H +ATOM 12254 HD3 ARG B 245 136.994 208.988 207.719 1.00 37.49 H +ATOM 12255 HE ARG B 245 136.314 210.620 205.769 1.00 36.33 H +ATOM 12256 HH11 ARG B 245 138.094 207.853 206.119 1.00 41.48 H +ATOM 12257 HH12 ARG B 245 137.951 207.387 204.712 1.00 41.48 H +ATOM 12258 HH21 ARG B 245 136.109 209.896 203.630 1.00 34.34 H +ATOM 12259 HH22 ARG B 245 136.753 208.620 203.210 1.00 34.34 H +ATOM 12260 N LEU B 246 132.914 212.970 208.029 1.00 34.24 N +ATOM 12261 CA LEU B 246 131.575 213.324 207.571 1.00 35.30 C +ATOM 12262 C LEU B 246 131.163 212.466 206.383 1.00 33.41 C +ATOM 12263 O LEU B 246 129.978 212.264 206.131 1.00 42.01 O +ATOM 12264 CB LEU B 246 131.518 214.805 207.193 1.00 34.81 C +ATOM 12265 CG LEU B 246 130.152 215.345 206.767 1.00 44.23 C +ATOM 12266 CD1 LEU B 246 129.151 215.252 207.910 1.00 35.54 C +ATOM 12267 CD2 LEU B 246 130.282 216.778 206.277 1.00 34.53 C +ATOM 12268 H LEU B 246 133.541 213.372 207.600 1.00 41.08 H +ATOM 12269 HA LEU B 246 130.941 213.170 208.289 1.00 42.35 H +ATOM 12270 HB2 LEU B 246 131.807 215.325 207.959 1.00 41.77 H +ATOM 12271 HB3 LEU B 246 132.129 214.953 206.455 1.00 41.77 H +ATOM 12272 HG LEU B 246 129.816 214.808 206.032 1.00 53.07 H +ATOM 12273 HD11 LEU B 246 128.297 215.601 207.611 1.00 42.65 H +ATOM 12274 HD12 LEU B 246 129.056 214.323 208.171 1.00 42.65 H +ATOM 12275 HD13 LEU B 246 129.478 215.774 208.659 1.00 42.65 H +ATOM 12276 HD21 LEU B 246 129.407 217.102 206.012 1.00 41.44 H +ATOM 12277 HD22 LEU B 246 130.635 217.326 206.996 1.00 41.44 H +ATOM 12278 HD23 LEU B 246 130.887 216.798 205.519 1.00 41.44 H +ATOM 12279 N PHE B 247 132.162 211.973 205.656 1.00 34.91 N +ATOM 12280 CA PHE B 247 131.958 211.147 204.467 1.00 39.66 C +ATOM 12281 C PHE B 247 131.195 211.906 203.386 1.00 39.50 C +ATOM 12282 O PHE B 247 130.537 211.309 202.537 1.00 44.73 O +ATOM 12283 CB PHE B 247 131.252 209.840 204.837 1.00 33.72 C +ATOM 12284 CG PHE B 247 132.112 208.919 205.648 1.00 37.40 C +ATOM 12285 CD1 PHE B 247 133.186 208.269 205.063 1.00 35.90 C +ATOM 12286 CD2 PHE B 247 131.872 208.726 206.996 1.00 33.17 C +ATOM 12287 CE1 PHE B 247 133.997 207.433 205.803 1.00 31.45 C +ATOM 12288 CE2 PHE B 247 132.678 207.889 207.742 1.00 44.84 C +ATOM 12289 CZ PHE B 247 133.744 207.243 207.142 1.00 38.76 C +ATOM 12290 H PHE B 247 132.992 212.108 205.838 1.00 41.89 H +ATOM 12291 HA PHE B 247 132.826 210.916 204.102 1.00 47.59 H +ATOM 12292 HB2 PHE B 247 130.460 210.046 205.358 1.00 40.46 H +ATOM 12293 HB3 PHE B 247 131.002 209.375 204.023 1.00 40.46 H +ATOM 12294 HD1 PHE B 247 133.362 208.396 204.159 1.00 43.08 H +ATOM 12295 HD2 PHE B 247 131.157 209.160 207.404 1.00 39.80 H +ATOM 12296 HE1 PHE B 247 134.711 206.998 205.397 1.00 37.74 H +ATOM 12297 HE2 PHE B 247 132.506 207.761 208.647 1.00 53.81 H +ATOM 12298 HZ PHE B 247 134.287 206.677 207.642 1.00 46.51 H +ATOM 12299 N LYS B 248 131.308 213.229 203.436 1.00 40.68 N +ATOM 12300 CA LYS B 248 130.905 214.100 202.343 1.00 44.37 C +ATOM 12301 C LYS B 248 132.070 215.032 202.030 1.00 44.02 C +ATOM 12302 O LYS B 248 132.576 215.714 202.919 1.00 41.75 O +ATOM 12303 CB LYS B 248 129.652 214.905 202.703 1.00 44.15 C +ATOM 12304 CG LYS B 248 129.350 216.054 201.739 1.00 58.71 C +ATOM 12305 CD LYS B 248 128.098 216.824 202.133 1.00 72.18 C +ATOM 12306 CE LYS B 248 127.892 218.035 201.230 1.00 79.28 C +ATOM 12307 NZ LYS B 248 126.801 218.927 201.709 1.00 84.08 N +ATOM 12308 H LYS B 248 131.625 213.655 204.112 1.00 48.82 H +ATOM 12309 HA LYS B 248 130.714 213.567 201.555 1.00 53.24 H +ATOM 12310 HB2 LYS B 248 128.887 214.309 202.700 1.00 52.97 H +ATOM 12311 HB3 LYS B 248 129.769 215.285 203.587 1.00 52.97 H +ATOM 12312 HG2 LYS B 248 130.097 216.673 201.738 1.00 70.45 H +ATOM 12313 HG3 LYS B 248 129.214 215.694 200.848 1.00 70.45 H +ATOM 12314 HD2 LYS B 248 127.324 216.245 202.050 1.00 86.62 H +ATOM 12315 HD3 LYS B 248 128.187 217.137 203.047 1.00 86.62 H +ATOM 12316 HE2 LYS B 248 128.712 218.551 201.200 1.00 95.14 H +ATOM 12317 HE3 LYS B 248 127.659 217.729 200.339 1.00 95.14 H +ATOM 12318 HZ1 LYS B 248 126.711 219.620 201.158 1.00100.90 H +ATOM 12319 HZ2 LYS B 248 126.033 218.480 201.740 1.00100.90 H +ATOM 12320 HZ3 LYS B 248 126.992 219.229 202.525 1.00100.90 H +ATOM 12321 N ASP B 249 132.504 215.037 200.774 1.00 40.13 N +ATOM 12322 CA ASP B 249 133.546 215.952 200.312 1.00 53.41 C +ATOM 12323 C ASP B 249 134.871 215.779 201.064 1.00 53.77 C +ATOM 12324 O ASP B 249 135.667 216.712 201.149 1.00 48.05 O +ATOM 12325 CB ASP B 249 133.066 217.403 200.440 1.00 72.58 C +ATOM 12326 CG ASP B 249 131.836 217.689 199.597 1.00 61.00 C +ATOM 12327 OD1 ASP B 249 131.654 217.019 198.558 1.00 57.72 O +ATOM 12328 OD2 ASP B 249 131.054 218.587 199.971 1.00 55.80 O +ATOM 12329 H ASP B 249 132.208 214.513 200.160 1.00 48.15 H +ATOM 12330 HA ASP B 249 133.717 215.780 199.373 1.00 64.09 H +ATOM 12331 HB2 ASP B 249 132.843 217.582 201.367 1.00 87.10 H +ATOM 12332 HB3 ASP B 249 133.775 217.997 200.148 1.00 87.10 H +ATOM 12333 N GLY B 250 135.101 214.585 201.604 1.00 43.29 N +ATOM 12334 CA GLY B 250 136.352 214.276 202.276 1.00 42.10 C +ATOM 12335 C GLY B 250 136.523 214.949 203.625 1.00 39.94 C +ATOM 12336 O GLY B 250 137.599 214.893 204.219 1.00 31.94 O +ATOM 12337 H GLY B 250 134.540 213.933 201.593 1.00 51.94 H +ATOM 12338 HA2 GLY B 250 136.412 213.317 202.409 1.00 50.52 H +ATOM 12339 HA3 GLY B 250 137.091 214.548 201.709 1.00 50.52 H +ATOM 12340 N LYS B 251 135.459 215.571 204.121 1.00 29.05 N +ATOM 12341 CA LYS B 251 135.558 216.429 205.294 1.00 35.16 C +ATOM 12342 C LYS B 251 135.367 215.701 206.619 1.00 29.28 C +ATOM 12343 O LYS B 251 134.943 214.548 206.664 1.00 32.56 O +ATOM 12344 CB LYS B 251 134.538 217.562 205.191 1.00 36.37 C +ATOM 12345 CG LYS B 251 134.801 218.501 204.030 1.00 33.19 C +ATOM 12346 CD LYS B 251 133.893 219.711 204.083 1.00 33.19 C +ATOM 12347 CE LYS B 251 134.240 220.699 202.990 1.00 41.04 C +ATOM 12348 NZ LYS B 251 133.342 221.880 203.008 1.00 58.12 N +ATOM 12349 H LYS B 251 134.665 215.511 203.795 1.00 34.86 H +ATOM 12350 HA LYS B 251 136.441 216.831 205.307 1.00 42.19 H +ATOM 12351 HB2 LYS B 251 133.655 217.179 205.070 1.00 43.64 H +ATOM 12352 HB3 LYS B 251 134.563 218.083 206.008 1.00 43.64 H +ATOM 12353 HG2 LYS B 251 135.720 218.809 204.070 1.00 39.83 H +ATOM 12354 HG3 LYS B 251 134.638 218.034 203.196 1.00 39.83 H +ATOM 12355 HD2 LYS B 251 132.974 219.428 203.958 1.00 39.82 H +ATOM 12356 HD3 LYS B 251 133.997 220.154 204.939 1.00 39.82 H +ATOM 12357 HE2 LYS B 251 135.150 221.009 203.118 1.00 49.24 H +ATOM 12358 HE3 LYS B 251 134.152 220.264 202.127 1.00 49.24 H +ATOM 12359 HZ1 LYS B 251 133.567 222.443 202.357 1.00 69.75 H +ATOM 12360 HZ2 LYS B 251 132.498 221.622 202.888 1.00 69.75 H +ATOM 12361 HZ3 LYS B 251 133.407 222.300 203.790 1.00 69.75 H +ATOM 12362 N MET B 252 135.706 216.405 207.692 1.00 29.84 N +ATOM 12363 CA MET B 252 135.510 215.927 209.050 1.00 30.48 C +ATOM 12364 C MET B 252 134.259 216.570 209.624 1.00 35.25 C +ATOM 12365 O MET B 252 133.931 217.704 209.276 1.00 30.84 O +ATOM 12366 CB MET B 252 136.726 216.263 209.917 1.00 32.68 C +ATOM 12367 CG MET B 252 138.016 215.588 209.478 1.00 35.86 C +ATOM 12368 SD MET B 252 138.291 214.005 210.295 1.00 30.18 S +ATOM 12369 CE MET B 252 138.710 214.550 211.948 1.00 38.74 C +ATOM 12370 H MET B 252 136.062 217.187 207.655 1.00 35.81 H +ATOM 12371 HA MET B 252 135.401 214.963 209.039 1.00 36.58 H +ATOM 12372 HB2 MET B 252 136.871 217.222 209.889 1.00 39.21 H +ATOM 12373 HB3 MET B 252 136.543 215.986 210.828 1.00 39.21 H +ATOM 12374 HG2 MET B 252 137.979 215.429 208.522 1.00 43.03 H +ATOM 12375 HG3 MET B 252 138.764 216.168 209.690 1.00 43.03 H +ATOM 12376 HE1 MET B 252 138.886 213.773 212.501 1.00 46.49 H +ATOM 12377 HE2 MET B 252 139.501 215.111 211.904 1.00 46.49 H +ATOM 12378 HE3 MET B 252 137.966 215.054 212.312 1.00 46.49 H +ATOM 12379 N LYS B 253 133.557 215.853 210.498 1.00 32.38 N +ATOM 12380 CA LYS B 253 132.364 216.393 211.137 1.00 35.46 C +ATOM 12381 C LYS B 253 132.689 217.680 211.879 1.00 37.02 C +ATOM 12382 O LYS B 253 133.828 217.905 212.284 1.00 36.18 O +ATOM 12383 CB LYS B 253 131.754 215.380 212.105 1.00 27.92 C +ATOM 12384 CG LYS B 253 130.996 214.251 211.431 1.00 37.09 C +ATOM 12385 CD LYS B 253 130.189 213.471 212.445 1.00 36.69 C +ATOM 12386 CE LYS B 253 129.082 212.666 211.791 1.00 38.42 C +ATOM 12387 NZ LYS B 253 128.092 212.181 212.791 1.00 52.35 N +ATOM 12388 H LYS B 253 133.752 215.050 210.737 1.00 38.86 H +ATOM 12389 HA LYS B 253 131.704 216.596 210.457 1.00 42.56 H +ATOM 12390 HB2 LYS B 253 132.467 214.985 212.631 1.00 33.50 H +ATOM 12391 HB3 LYS B 253 131.134 215.844 212.690 1.00 33.50 H +ATOM 12392 HG2 LYS B 253 130.388 214.619 210.771 1.00 44.51 H +ATOM 12393 HG3 LYS B 253 131.627 213.646 211.009 1.00 44.51 H +ATOM 12394 HD2 LYS B 253 130.775 212.856 212.913 1.00 44.03 H +ATOM 12395 HD3 LYS B 253 129.783 214.090 213.072 1.00 44.03 H +ATOM 12396 HE2 LYS B 253 128.616 213.225 211.149 1.00 46.11 H +ATOM 12397 HE3 LYS B 253 129.467 211.895 211.346 1.00 46.11 H +ATOM 12398 HZ1 LYS B 253 127.454 211.712 212.384 1.00 62.82 H +ATOM 12399 HZ2 LYS B 253 128.495 211.661 213.390 1.00 62.82 H +ATOM 12400 HZ3 LYS B 253 127.720 212.872 213.211 1.00 62.82 H +ATOM 12401 N TYR B 254 131.681 218.526 212.048 1.00 43.33 N +ATOM 12402 CA TYR B 254 131.860 219.776 212.767 1.00 43.54 C +ATOM 12403 C TYR B 254 130.534 220.355 213.221 1.00 39.36 C +ATOM 12404 O TYR B 254 129.466 219.871 212.852 1.00 43.33 O +ATOM 12405 CB TYR B 254 132.595 220.800 211.896 1.00 41.93 C +ATOM 12406 CG TYR B 254 131.887 221.150 210.605 1.00 41.46 C +ATOM 12407 CD1 TYR B 254 130.962 222.184 210.553 1.00 42.06 C +ATOM 12408 CD2 TYR B 254 132.157 220.455 209.437 1.00 39.70 C +ATOM 12409 CE1 TYR B 254 130.322 222.509 209.373 1.00 35.42 C +ATOM 12410 CE2 TYR B 254 131.524 220.772 208.256 1.00 43.66 C +ATOM 12411 CZ TYR B 254 130.609 221.798 208.228 1.00 46.71 C +ATOM 12412 OH TYR B 254 129.980 222.109 207.048 1.00 44.46 O +ATOM 12413 H TYR B 254 130.882 218.398 211.756 1.00 51.99 H +ATOM 12414 HA TYR B 254 132.400 219.611 213.555 1.00 52.25 H +ATOM 12415 HB2 TYR B 254 132.701 221.619 212.405 1.00 50.32 H +ATOM 12416 HB3 TYR B 254 133.467 220.442 211.666 1.00 50.32 H +ATOM 12417 HD1 TYR B 254 130.768 222.665 211.325 1.00 50.47 H +ATOM 12418 HD2 TYR B 254 132.776 219.761 209.451 1.00 47.64 H +ATOM 12419 HE1 TYR B 254 129.702 223.202 209.351 1.00 42.50 H +ATOM 12420 HE2 TYR B 254 131.715 220.295 207.481 1.00 52.40 H +ATOM 12421 HH TYR B 254 130.249 221.599 206.436 1.00 53.36 H +ATOM 12422 N GLN B 255 130.630 221.397 214.036 1.00 39.86 N +ATOM 12423 CA GLN B 255 129.480 222.169 214.468 1.00 39.45 C +ATOM 12424 C GLN B 255 129.677 223.611 214.031 1.00 44.09 C +ATOM 12425 O GLN B 255 130.808 224.044 213.817 1.00 35.00 O +ATOM 12426 CB GLN B 255 129.307 222.082 215.985 1.00 37.72 C +ATOM 12427 CG GLN B 255 128.912 220.704 216.480 1.00 35.48 C +ATOM 12428 CD GLN B 255 128.694 220.662 217.978 1.00 38.91 C +ATOM 12429 OE1 GLN B 255 127.564 220.536 218.448 1.00 38.46 O +ATOM 12430 NE2 GLN B 255 129.779 220.764 218.737 1.00 38.08 N +ATOM 12431 H GLN B 255 131.373 221.683 214.360 1.00 47.83 H +ATOM 12432 HA GLN B 255 128.679 221.823 214.045 1.00 47.33 H +ATOM 12433 HB2 GLN B 255 130.147 222.320 216.409 1.00 45.27 H +ATOM 12434 HB3 GLN B 255 128.614 222.704 216.256 1.00 45.27 H +ATOM 12435 HG2 GLN B 255 128.085 220.438 216.048 1.00 42.57 H +ATOM 12436 HG3 GLN B 255 129.618 220.075 216.261 1.00 42.57 H +ATOM 12437 HE21 GLN B 255 130.553 220.848 218.372 1.00 45.70 H +ATOM 12438 HE22 GLN B 255 129.707 220.746 219.594 1.00 45.70 H +ATOM 12439 N ILE B 256 128.576 224.338 213.874 1.00 48.94 N +ATOM 12440 CA ILE B 256 128.633 225.776 213.649 1.00 35.96 C +ATOM 12441 C ILE B 256 128.081 226.476 214.879 1.00 40.55 C +ATOM 12442 O ILE B 256 126.883 226.433 215.140 1.00 43.75 O +ATOM 12443 CB ILE B 256 127.841 226.213 212.404 1.00 42.67 C +ATOM 12444 CG1 ILE B 256 128.364 225.500 211.152 1.00 41.15 C +ATOM 12445 CG2 ILE B 256 127.925 227.732 212.225 1.00 45.76 C +ATOM 12446 CD1 ILE B 256 129.814 225.805 210.812 1.00 45.83 C +ATOM 12447 H ILE B 256 127.777 224.019 213.894 1.00 58.73 H +ATOM 12448 HA ILE B 256 129.557 226.047 213.532 1.00 43.15 H +ATOM 12449 HB ILE B 256 126.911 225.969 212.530 1.00 51.20 H +ATOM 12450 HG12 ILE B 256 128.288 224.542 211.286 1.00 49.38 H +ATOM 12451 HG13 ILE B 256 127.822 225.767 210.394 1.00 49.38 H +ATOM 12452 HG21 ILE B 256 127.421 227.985 211.437 1.00 54.91 H +ATOM 12453 HG22 ILE B 256 127.552 228.162 213.010 1.00 54.91 H +ATOM 12454 HG23 ILE B 256 128.855 227.986 212.119 1.00 54.91 H +ATOM 12455 HD11 ILE B 256 130.060 225.315 210.011 1.00 54.99 H +ATOM 12456 HD12 ILE B 256 129.909 226.758 210.659 1.00 54.99 H +ATOM 12457 HD13 ILE B 256 130.376 225.531 211.553 1.00 54.99 H +ATOM 12458 N ILE B 257 128.970 227.105 215.638 1.00 39.06 N +ATOM 12459 CA ILE B 257 128.597 227.807 216.857 1.00 43.01 C +ATOM 12460 C ILE B 257 129.018 229.264 216.748 1.00 46.30 C +ATOM 12461 O ILE B 257 130.190 229.565 216.529 1.00 49.58 O +ATOM 12462 CB ILE B 257 129.237 227.156 218.093 1.00 40.15 C +ATOM 12463 CG1 ILE B 257 128.686 225.741 218.281 1.00 43.37 C +ATOM 12464 CG2 ILE B 257 128.965 227.980 219.345 1.00 39.22 C +ATOM 12465 CD1 ILE B 257 129.618 224.817 219.031 1.00 40.51 C +ATOM 12466 H ILE B 257 129.811 227.140 215.463 1.00 46.87 H +ATOM 12467 HA ILE B 257 127.633 227.775 216.962 1.00 51.61 H +ATOM 12468 HB ILE B 257 130.196 227.102 217.957 1.00 48.19 H +ATOM 12469 HG12 ILE B 257 127.856 225.793 218.780 1.00 52.04 H +ATOM 12470 HG13 ILE B 257 128.522 225.352 217.408 1.00 52.04 H +ATOM 12471 HG21 ILE B 257 129.381 227.544 220.106 1.00 47.06 H +ATOM 12472 HG22 ILE B 257 129.339 228.867 219.226 1.00 47.06 H +ATOM 12473 HG23 ILE B 257 128.007 228.040 219.481 1.00 47.06 H +ATOM 12474 HD11 ILE B 257 129.200 223.944 219.109 1.00 48.61 H +ATOM 12475 HD12 ILE B 257 130.451 224.742 218.540 1.00 48.61 H +ATOM 12476 HD13 ILE B 257 129.784 225.184 219.913 1.00 48.61 H +ATOM 12477 N ASP B 258 128.045 230.158 216.905 1.00 45.37 N +ATOM 12478 CA ASP B 258 128.254 231.591 216.726 1.00 43.15 C +ATOM 12479 C ASP B 258 128.991 231.881 215.420 1.00 40.62 C +ATOM 12480 O ASP B 258 129.938 232.663 215.382 1.00 42.99 O +ATOM 12481 CB ASP B 258 129.013 232.175 217.919 1.00 49.70 C +ATOM 12482 CG ASP B 258 128.171 232.214 219.185 1.00 54.52 C +ATOM 12483 OD1 ASP B 258 126.938 232.043 219.091 1.00 58.24 O +ATOM 12484 OD2 ASP B 258 128.741 232.428 220.274 1.00 54.85 O +ATOM 12485 H ASP B 258 127.238 229.954 217.119 1.00 54.44 H +ATOM 12486 HA ASP B 258 127.390 232.029 216.682 1.00 51.78 H +ATOM 12487 HB2 ASP B 258 129.795 231.629 218.096 1.00 59.64 H +ATOM 12488 HB3 ASP B 258 129.283 233.083 217.710 1.00 59.64 H +ATOM 12489 N GLY B 259 128.548 231.226 214.354 1.00 41.63 N +ATOM 12490 CA GLY B 259 129.022 231.524 213.016 1.00 43.46 C +ATOM 12491 C GLY B 259 130.320 230.853 212.606 1.00 48.13 C +ATOM 12492 O GLY B 259 130.745 230.996 211.461 1.00 41.58 O +ATOM 12493 H GLY B 259 127.964 230.595 214.383 1.00 49.95 H +ATOM 12494 HA2 GLY B 259 128.340 231.261 212.379 1.00 52.15 H +ATOM 12495 HA3 GLY B 259 129.147 232.483 212.937 1.00 52.15 H +ATOM 12496 N GLU B 260 130.952 230.119 213.521 1.00 43.36 N +ATOM 12497 CA GLU B 260 132.267 229.534 213.257 1.00 54.64 C +ATOM 12498 C GLU B 260 132.298 228.016 213.417 1.00 43.69 C +ATOM 12499 O GLU B 260 131.469 227.434 214.110 1.00 42.00 O +ATOM 12500 CB GLU B 260 133.314 230.162 214.176 1.00 53.46 C +ATOM 12501 CG GLU B 260 133.483 231.658 213.975 1.00 54.65 C +ATOM 12502 CD GLU B 260 134.824 232.160 214.469 1.00 59.21 C +ATOM 12503 OE1 GLU B 260 135.854 231.813 213.853 1.00 67.36 O +ATOM 12504 OE2 GLU B 260 134.851 232.896 215.476 1.00 60.50 O +ATOM 12505 H GLU B 260 130.640 229.945 214.304 1.00 52.03 H +ATOM 12506 HA GLU B 260 132.518 229.738 212.342 1.00 65.57 H +ATOM 12507 HB2 GLU B 260 133.050 230.015 215.098 1.00 64.15 H +ATOM 12508 HB3 GLU B 260 134.171 229.741 214.008 1.00 64.15 H +ATOM 12509 HG2 GLU B 260 133.416 231.860 213.029 1.00 65.57 H +ATOM 12510 HG3 GLU B 260 132.788 232.124 214.465 1.00 65.57 H +ATOM 12511 N MET B 261 133.277 227.390 212.772 1.00 46.17 N +ATOM 12512 CA MET B 261 133.403 225.937 212.772 1.00 40.46 C +ATOM 12513 C MET B 261 134.128 225.427 214.013 1.00 32.32 C +ATOM 12514 O MET B 261 135.203 225.912 214.360 1.00 35.76 O +ATOM 12515 CB MET B 261 134.140 225.470 211.514 1.00 37.97 C +ATOM 12516 CG MET B 261 134.350 223.963 211.441 1.00 35.64 C +ATOM 12517 SD MET B 261 135.262 223.447 209.977 1.00 39.04 S +ATOM 12518 CE MET B 261 134.098 223.869 208.685 1.00 41.93 C +ATOM 12519 H MET B 261 133.890 227.791 212.321 1.00 55.41 H +ATOM 12520 HA MET B 261 132.514 225.550 212.753 1.00 48.55 H +ATOM 12521 HB2 MET B 261 133.626 225.734 210.736 1.00 45.56 H +ATOM 12522 HB3 MET B 261 135.013 225.892 211.490 1.00 45.56 H +ATOM 12523 HG2 MET B 261 134.851 223.677 212.221 1.00 42.77 H +ATOM 12524 HG3 MET B 261 133.485 223.524 211.424 1.00 42.77 H +ATOM 12525 HE1 MET B 261 134.482 223.634 207.826 1.00 50.31 H +ATOM 12526 HE2 MET B 261 133.276 223.374 208.828 1.00 50.31 H +ATOM 12527 HE3 MET B 261 133.921 224.822 208.720 1.00 50.31 H +ATOM 12528 N TYR B 262 133.520 224.445 214.671 1.00 34.41 N +ATOM 12529 CA TYR B 262 134.106 223.794 215.836 1.00 34.83 C +ATOM 12530 C TYR B 262 134.032 222.280 215.673 1.00 42.00 C +ATOM 12531 O TYR B 262 133.290 221.778 214.830 1.00 35.18 O +ATOM 12532 CB TYR B 262 133.388 224.228 217.113 1.00 32.19 C +ATOM 12533 CG TYR B 262 133.744 225.622 217.569 1.00 49.43 C +ATOM 12534 CD1 TYR B 262 132.978 226.717 217.190 1.00 47.91 C +ATOM 12535 CD2 TYR B 262 134.844 225.842 218.382 1.00 52.90 C +ATOM 12536 CE1 TYR B 262 133.303 227.991 217.610 1.00 49.07 C +ATOM 12537 CE2 TYR B 262 135.176 227.110 218.805 1.00 62.50 C +ATOM 12538 CZ TYR B 262 134.405 228.181 218.418 1.00 64.60 C +ATOM 12539 OH TYR B 262 134.743 229.445 218.843 1.00 51.92 O +ATOM 12540 H TYR B 262 132.748 224.132 214.456 1.00 41.29 H +ATOM 12541 HA TYR B 262 135.039 224.048 215.909 1.00 41.79 H +ATOM 12542 HB2 TYR B 262 132.431 224.202 216.958 1.00 38.63 H +ATOM 12543 HB3 TYR B 262 133.622 223.614 217.827 1.00 38.63 H +ATOM 12544 HD1 TYR B 262 132.235 226.590 216.646 1.00 57.50 H +ATOM 12545 HD2 TYR B 262 135.368 225.121 218.646 1.00 63.48 H +ATOM 12546 HE1 TYR B 262 132.783 228.717 217.349 1.00 58.88 H +ATOM 12547 HE2 TYR B 262 135.919 227.241 219.350 1.00 75.01 H +ATOM 12548 HH TYR B 262 135.430 229.413 219.324 1.00 62.30 H +ATOM 12549 N PRO B 263 134.812 221.541 216.473 1.00 42.73 N +ATOM 12550 CA PRO B 263 134.720 220.080 216.378 1.00 53.39 C +ATOM 12551 C PRO B 263 133.364 219.559 216.842 1.00 50.75 C +ATOM 12552 O PRO B 263 132.652 220.270 217.551 1.00 37.84 O +ATOM 12553 CB PRO B 263 135.848 219.586 217.294 1.00 47.66 C +ATOM 12554 CG PRO B 263 136.256 220.756 218.116 1.00 46.11 C +ATOM 12555 CD PRO B 263 135.914 221.980 217.344 1.00 41.67 C +ATOM 12556 HA PRO B 263 134.888 219.787 215.469 1.00 64.07 H +ATOM 12557 HB2 PRO B 263 135.516 218.872 217.860 1.00 57.19 H +ATOM 12558 HB3 PRO B 263 136.591 219.275 216.754 1.00 57.19 H +ATOM 12559 HG2 PRO B 263 135.771 220.742 218.956 1.00 55.33 H +ATOM 12560 HG3 PRO B 263 137.212 220.716 218.278 1.00 55.33 H +ATOM 12561 HD2 PRO B 263 135.613 222.683 217.941 1.00 50.01 H +ATOM 12562 HD3 PRO B 263 136.672 222.267 216.812 1.00 50.01 H +ATOM 12563 N PRO B 264 133.012 218.328 216.440 1.00 42.93 N +ATOM 12564 CA PRO B 264 131.737 217.718 216.822 1.00 39.44 C +ATOM 12565 C PRO B 264 131.783 217.216 218.258 1.00 40.52 C +ATOM 12566 O PRO B 264 132.820 217.348 218.908 1.00 35.60 O +ATOM 12567 CB PRO B 264 131.599 216.564 215.832 1.00 40.07 C +ATOM 12568 CG PRO B 264 133.008 216.139 215.596 1.00 43.82 C +ATOM 12569 CD PRO B 264 133.842 217.399 215.652 1.00 37.80 C +ATOM 12570 HA PRO B 264 131.004 218.343 216.710 1.00 47.33 H +ATOM 12571 HB2 PRO B 264 131.081 215.847 216.229 1.00 48.08 H +ATOM 12572 HB3 PRO B 264 131.188 216.879 215.012 1.00 48.08 H +ATOM 12573 HG2 PRO B 264 133.281 215.520 216.291 1.00 52.58 H +ATOM 12574 HG3 PRO B 264 133.079 215.724 214.723 1.00 52.58 H +ATOM 12575 HD2 PRO B 264 134.682 217.229 216.106 1.00 45.36 H +ATOM 12576 HD3 PRO B 264 133.985 217.750 214.759 1.00 45.36 H +ATOM 12577 N THR B 265 130.686 216.643 218.740 1.00 38.68 N +ATOM 12578 CA THR B 265 130.622 216.163 220.114 1.00 42.83 C +ATOM 12579 C THR B 265 130.796 214.652 220.195 1.00 35.41 C +ATOM 12580 O THR B 265 130.745 213.950 219.186 1.00 30.86 O +ATOM 12581 CB THR B 265 129.285 216.532 220.781 1.00 45.33 C +ATOM 12582 OG1 THR B 265 128.215 215.833 220.133 1.00 40.73 O +ATOM 12583 CG2 THR B 265 129.043 218.030 220.703 1.00 45.60 C +ATOM 12584 H THR B 265 129.963 216.521 218.290 1.00 46.41 H +ATOM 12585 HA THR B 265 131.336 216.574 220.626 1.00 51.40 H +ATOM 12586 HB THR B 265 129.313 216.277 221.717 1.00 54.40 H +ATOM 12587 HG1 THR B 265 127.483 216.031 220.493 1.00 48.87 H +ATOM 12588 HG21 THR B 265 128.198 218.251 221.126 1.00 54.72 H +ATOM 12589 HG22 THR B 265 129.757 218.505 221.156 1.00 54.72 H +ATOM 12590 HG23 THR B 265 129.015 218.313 219.776 1.00 54.72 H +ATOM 12591 N VAL B 266 131.006 214.168 221.413 1.00 30.86 N +ATOM 12592 CA VAL B 266 131.036 212.741 221.691 1.00 34.08 C +ATOM 12593 C VAL B 266 129.719 212.088 221.278 1.00 33.93 C +ATOM 12594 O VAL B 266 129.718 210.991 220.722 1.00 37.70 O +ATOM 12595 CB VAL B 266 131.304 212.475 223.188 1.00 35.80 C +ATOM 12596 CG1 VAL B 266 131.150 210.992 223.526 1.00 34.49 C +ATOM 12597 CG2 VAL B 266 132.691 212.967 223.565 1.00 40.00 C +ATOM 12598 H VAL B 266 131.137 214.658 222.108 1.00 37.03 H +ATOM 12599 HA VAL B 266 131.750 212.332 221.178 1.00 40.90 H +ATOM 12600 HB VAL B 266 130.659 212.970 223.716 1.00 42.96 H +ATOM 12601 HG11 VAL B 266 131.326 210.865 224.472 1.00 41.38 H +ATOM 12602 HG12 VAL B 266 130.245 210.714 223.317 1.00 41.38 H +ATOM 12603 HG13 VAL B 266 131.784 210.481 223.000 1.00 41.38 H +ATOM 12604 HG21 VAL B 266 132.842 212.792 224.508 1.00 48.00 H +ATOM 12605 HG22 VAL B 266 133.349 212.495 223.031 1.00 48.00 H +ATOM 12606 HG23 VAL B 266 132.746 213.920 223.392 1.00 48.00 H +ATOM 12607 N LYS B 267 128.608 212.767 221.557 1.00 40.00 N +ATOM 12608 CA LYS B 267 127.278 212.255 221.232 1.00 38.55 C +ATOM 12609 C LYS B 267 127.129 211.985 219.743 1.00 34.90 C +ATOM 12610 O LYS B 267 126.725 210.897 219.339 1.00 43.05 O +ATOM 12611 CB LYS B 267 126.198 213.247 221.688 1.00 45.58 C +ATOM 12612 CG LYS B 267 124.779 212.978 221.145 1.00 46.71 C +ATOM 12613 CD LYS B 267 123.883 212.321 222.173 1.00 60.22 C +ATOM 12614 CE LYS B 267 122.963 213.337 222.830 1.00 60.98 C +ATOM 12615 NZ LYS B 267 122.177 212.730 223.935 1.00 82.23 N +ATOM 12616 H LYS B 267 128.599 213.538 221.939 1.00 48.00 H +ATOM 12617 HA LYS B 267 127.137 211.420 221.705 1.00 46.25 H +ATOM 12618 HB2 LYS B 267 126.148 213.224 222.656 1.00 54.70 H +ATOM 12619 HB3 LYS B 267 126.456 214.136 221.399 1.00 54.70 H +ATOM 12620 HG2 LYS B 267 124.373 213.820 220.886 1.00 56.05 H +ATOM 12621 HG3 LYS B 267 124.840 212.388 220.378 1.00 56.05 H +ATOM 12622 HD2 LYS B 267 123.334 211.649 221.738 1.00 72.26 H +ATOM 12623 HD3 LYS B 267 124.430 211.914 222.862 1.00 72.26 H +ATOM 12624 HE2 LYS B 267 123.496 214.059 223.197 1.00 73.17 H +ATOM 12625 HE3 LYS B 267 122.342 213.680 222.169 1.00 73.17 H +ATOM 12626 HZ1 LYS B 267 121.647 213.344 224.303 1.00 98.68 H +ATOM 12627 HZ2 LYS B 267 121.675 212.065 223.622 1.00 98.68 H +ATOM 12628 HZ3 LYS B 267 122.726 212.410 224.558 1.00 98.68 H +ATOM 12629 N ASP B 268 127.444 212.989 218.934 1.00 38.02 N +ATOM 12630 CA ASP B 268 127.229 212.911 217.496 1.00 37.82 C +ATOM 12631 C ASP B 268 128.180 211.925 216.819 1.00 40.72 C +ATOM 12632 O ASP B 268 127.801 211.254 215.859 1.00 39.32 O +ATOM 12633 CB ASP B 268 127.380 214.304 216.877 1.00 44.54 C +ATOM 12634 CG ASP B 268 127.062 214.325 215.399 1.00 53.56 C +ATOM 12635 OD1 ASP B 268 125.871 214.210 215.039 1.00 52.21 O +ATOM 12636 OD2 ASP B 268 128.001 214.475 214.595 1.00 50.85 O +ATOM 12637 H ASP B 268 127.787 213.732 219.197 1.00 45.63 H +ATOM 12638 HA ASP B 268 126.322 212.610 217.331 1.00 45.38 H +ATOM 12639 HB2 ASP B 268 126.774 214.915 217.324 1.00 53.44 H +ATOM 12640 HB3 ASP B 268 128.296 214.602 216.991 1.00 53.44 H +ATOM 12641 N THR B 269 129.408 211.830 217.325 1.00 44.46 N +ATOM 12642 CA THR B 269 130.434 210.987 216.711 1.00 43.48 C +ATOM 12643 C THR B 269 130.498 209.582 217.304 1.00 42.40 C +ATOM 12644 O THR B 269 130.835 208.630 216.603 1.00 37.18 O +ATOM 12645 CB THR B 269 131.837 211.611 216.850 1.00 40.65 C +ATOM 12646 OG1 THR B 269 132.198 211.687 218.236 1.00 31.10 O +ATOM 12647 CG2 THR B 269 131.873 212.997 216.236 1.00 43.04 C +ATOM 12648 H THR B 269 129.675 212.247 218.028 1.00 53.35 H +ATOM 12649 HA THR B 269 130.240 210.900 215.765 1.00 52.17 H +ATOM 12650 HB THR B 269 132.480 211.055 216.383 1.00 48.78 H +ATOM 12651 HG1 THR B 269 131.644 212.162 218.651 1.00 37.32 H +ATOM 12652 HG21 THR B 269 132.761 213.378 216.330 1.00 51.65 H +ATOM 12653 HG22 THR B 269 131.650 212.948 215.294 1.00 51.65 H +ATOM 12654 HG23 THR B 269 131.234 213.574 216.683 1.00 51.65 H +ATOM 12655 N GLN B 270 130.174 209.469 218.591 1.00 39.72 N +ATOM 12656 CA GLN B 270 130.361 208.239 219.372 1.00 45.12 C +ATOM 12657 C GLN B 270 131.844 207.946 219.587 1.00 47.28 C +ATOM 12658 O GLN B 270 132.211 206.838 219.967 1.00 51.07 O +ATOM 12659 CB GLN B 270 129.675 207.035 218.709 1.00 50.19 C +ATOM 12660 CG GLN B 270 128.164 207.142 218.655 1.00 51.53 C +ATOM 12661 CD GLN B 270 127.541 207.261 220.033 1.00 73.24 C +ATOM 12662 OE1 GLN B 270 126.593 208.022 220.233 1.00 88.22 O +ATOM 12663 NE2 GLN B 270 128.069 206.509 220.993 1.00 62.07 N +ATOM 12664 H GLN B 270 129.832 210.111 219.050 1.00 47.67 H +ATOM 12665 HA GLN B 270 129.957 208.364 220.245 1.00 54.15 H +ATOM 12666 HB2 GLN B 270 129.999 206.954 217.799 1.00 60.23 H +ATOM 12667 HB3 GLN B 270 129.897 206.235 219.210 1.00 60.23 H +ATOM 12668 HG2 GLN B 270 127.919 207.930 218.145 1.00 61.83 H +ATOM 12669 HG3 GLN B 270 127.805 206.346 218.231 1.00 61.83 H +ATOM 12670 HE21 GLN B 270 128.730 205.988 220.816 1.00 74.49 H +ATOM 12671 HE22 GLN B 270 127.749 206.543 221.790 1.00 74.49 H +ATOM 12672 N ALA B 271 132.687 208.949 219.356 1.00 47.22 N +ATOM 12673 CA ALA B 271 134.116 208.829 219.617 1.00 41.44 C +ATOM 12674 C ALA B 271 134.417 209.219 221.061 1.00 36.26 C +ATOM 12675 O ALA B 271 134.204 210.363 221.459 1.00 42.04 O +ATOM 12676 CB ALA B 271 134.907 209.695 218.653 1.00 40.21 C +ATOM 12677 H ALA B 271 132.453 209.717 219.046 1.00 56.66 H +ATOM 12678 HA ALA B 271 134.387 207.906 219.489 1.00 49.72 H +ATOM 12679 HB1 ALA B 271 135.853 209.598 218.846 1.00 48.25 H +ATOM 12680 HB2 ALA B 271 134.722 209.406 217.746 1.00 48.25 H +ATOM 12681 HB3 ALA B 271 134.639 210.620 218.768 1.00 48.25 H +ATOM 12682 N GLU B 272 134.907 208.263 221.841 1.00 47.16 N +ATOM 12683 CA GLU B 272 135.149 208.478 223.264 1.00 44.64 C +ATOM 12684 C GLU B 272 136.177 209.577 223.518 1.00 39.36 C +ATOM 12685 O GLU B 272 137.116 209.762 222.742 1.00 36.41 O +ATOM 12686 CB GLU B 272 135.611 207.176 223.925 1.00 63.91 C +ATOM 12687 CG GLU B 272 134.509 206.138 224.093 1.00 87.93 C +ATOM 12688 CD GLU B 272 134.966 204.918 224.868 1.00104.59 C +ATOM 12689 OE1 GLU B 272 134.100 204.125 225.293 1.00111.43 O +ATOM 12690 OE2 GLU B 272 136.190 204.751 225.052 1.00107.31 O +ATOM 12691 H GLU B 272 135.109 207.472 221.569 1.00 56.59 H +ATOM 12692 HA GLU B 272 134.318 208.747 223.685 1.00 53.57 H +ATOM 12693 HB2 GLU B 272 136.308 206.780 223.380 1.00 76.69 H +ATOM 12694 HB3 GLU B 272 135.961 207.381 224.806 1.00 76.69 H +ATOM 12695 HG2 GLU B 272 133.768 206.539 224.575 1.00105.51 H +ATOM 12696 HG3 GLU B 272 134.215 205.844 223.217 1.00105.51 H +ATOM 12697 N MET B 273 135.976 210.306 224.611 1.00 38.60 N +ATOM 12698 CA MET B 273 136.898 211.345 225.051 1.00 32.33 C +ATOM 12699 C MET B 273 137.043 211.286 226.567 1.00 34.97 C +ATOM 12700 O MET B 273 136.165 210.781 227.261 1.00 40.71 O +ATOM 12701 CB MET B 273 136.408 212.731 224.632 1.00 29.35 C +ATOM 12702 CG MET B 273 136.414 212.994 223.129 1.00 39.06 C +ATOM 12703 SD MET B 273 138.048 213.280 222.414 1.00 33.68 S +ATOM 12704 CE MET B 273 138.615 214.708 223.331 1.00 32.16 C +ATOM 12705 H MET B 273 135.293 210.215 225.126 1.00 46.32 H +ATOM 12706 HA MET B 273 137.765 211.194 224.643 1.00 38.80 H +ATOM 12707 HB2 MET B 273 135.497 212.843 224.944 1.00 35.22 H +ATOM 12708 HB3 MET B 273 136.978 213.398 225.047 1.00 35.22 H +ATOM 12709 HG2 MET B 273 136.029 212.226 222.679 1.00 46.87 H +ATOM 12710 HG3 MET B 273 135.875 213.780 222.950 1.00 46.87 H +ATOM 12711 HE1 MET B 273 139.501 214.951 223.020 1.00 38.59 H +ATOM 12712 HE2 MET B 273 137.999 215.442 223.182 1.00 38.59 H +ATOM 12713 HE3 MET B 273 138.644 214.485 224.274 1.00 38.59 H +ATOM 12714 N ILE B 274 138.157 211.802 227.074 1.00 40.59 N +ATOM 12715 CA ILE B 274 138.370 211.897 228.511 1.00 38.86 C +ATOM 12716 C ILE B 274 137.795 213.209 229.032 1.00 43.09 C +ATOM 12717 O ILE B 274 138.338 214.281 228.770 1.00 48.07 O +ATOM 12718 CB ILE B 274 139.866 211.814 228.876 1.00 34.08 C +ATOM 12719 CG1 ILE B 274 140.518 210.600 228.204 1.00 45.86 C +ATOM 12720 CG2 ILE B 274 140.048 211.756 230.385 1.00 35.62 C +ATOM 12721 CD1 ILE B 274 139.855 209.276 228.519 1.00 52.46 C +ATOM 12722 H ILE B 274 138.809 212.106 226.603 1.00 48.70 H +ATOM 12723 HA ILE B 274 137.909 211.167 228.952 1.00 46.63 H +ATOM 12724 HB ILE B 274 140.304 212.615 228.548 1.00 40.89 H +ATOM 12725 HG12 ILE B 274 140.486 210.724 227.242 1.00 55.04 H +ATOM 12726 HG13 ILE B 274 141.442 210.543 228.495 1.00 55.04 H +ATOM 12727 HG21 ILE B 274 140.995 211.704 230.587 1.00 42.74 H +ATOM 12728 HG22 ILE B 274 139.668 212.556 230.780 1.00 42.74 H +ATOM 12729 HG23 ILE B 274 139.593 210.970 230.727 1.00 42.74 H +ATOM 12730 HD11 ILE B 274 140.329 208.568 228.056 1.00 62.95 H +ATOM 12731 HD12 ILE B 274 139.889 209.126 229.477 1.00 62.95 H +ATOM 12732 HD13 ILE B 274 138.932 209.307 228.221 1.00 62.95 H +ATOM 12733 N TYR B 275 136.690 213.116 229.766 1.00 47.46 N +ATOM 12734 CA TYR B 275 136.058 214.287 230.359 1.00 45.40 C +ATOM 12735 C TYR B 275 135.595 213.989 231.781 1.00 54.73 C +ATOM 12736 O TYR B 275 135.059 212.915 232.046 1.00 63.53 O +ATOM 12737 CB TYR B 275 134.866 214.747 229.518 1.00 40.94 C +ATOM 12738 CG TYR B 275 135.236 215.547 228.289 1.00 35.31 C +ATOM 12739 CD1 TYR B 275 135.761 216.828 228.403 1.00 39.83 C +ATOM 12740 CD2 TYR B 275 135.044 215.029 227.017 1.00 32.32 C +ATOM 12741 CE1 TYR B 275 136.094 217.564 227.285 1.00 32.33 C +ATOM 12742 CE2 TYR B 275 135.374 215.761 225.895 1.00 35.52 C +ATOM 12743 CZ TYR B 275 135.897 217.026 226.036 1.00 37.67 C +ATOM 12744 OH TYR B 275 136.226 217.756 224.923 1.00 35.10 O +ATOM 12745 H TYR B 275 136.284 212.377 229.936 1.00 56.96 H +ATOM 12746 HA TYR B 275 136.701 215.013 230.396 1.00 54.48 H +ATOM 12747 HB2 TYR B 275 134.375 213.964 229.222 1.00 49.13 H +ATOM 12748 HB3 TYR B 275 134.294 215.303 230.069 1.00 49.13 H +ATOM 12749 HD1 TYR B 275 135.895 217.194 229.248 1.00 47.80 H +ATOM 12750 HD2 TYR B 275 134.690 214.174 226.919 1.00 38.78 H +ATOM 12751 HE1 TYR B 275 136.447 218.419 227.376 1.00 38.79 H +ATOM 12752 HE2 TYR B 275 135.243 215.401 225.048 1.00 42.62 H +ATOM 12753 HH TYR B 275 136.057 217.313 224.229 1.00 42.12 H +ATOM 12754 N PRO B 276 135.806 214.936 232.708 1.00 60.13 N +ATOM 12755 CA PRO B 276 135.213 214.749 234.035 1.00 70.08 C +ATOM 12756 C PRO B 276 133.688 214.852 233.978 1.00 69.37 C +ATOM 12757 O PRO B 276 133.167 215.488 233.062 1.00 65.79 O +ATOM 12758 CB PRO B 276 135.822 215.886 234.860 1.00 54.02 C +ATOM 12759 CG PRO B 276 136.287 216.890 233.868 1.00 59.55 C +ATOM 12760 CD PRO B 276 136.672 216.126 232.649 1.00 60.28 C +ATOM 12761 HA PRO B 276 135.472 213.893 234.411 1.00 84.10 H +ATOM 12762 HB2 PRO B 276 135.144 216.267 235.440 1.00 64.82 H +ATOM 12763 HB3 PRO B 276 136.568 215.548 235.380 1.00 64.82 H +ATOM 12764 HG2 PRO B 276 135.566 217.507 233.668 1.00 71.46 H +ATOM 12765 HG3 PRO B 276 137.053 217.367 234.225 1.00 71.46 H +ATOM 12766 HD2 PRO B 276 136.482 216.643 231.851 1.00 72.33 H +ATOM 12767 HD3 PRO B 276 137.606 215.867 232.693 1.00 72.33 H +ATOM 12768 N PRO B 277 132.980 214.236 234.940 1.00 67.66 N +ATOM 12769 CA PRO B 277 131.511 214.221 234.946 1.00 73.28 C +ATOM 12770 C PRO B 277 130.870 215.607 234.874 1.00 69.68 C +ATOM 12771 O PRO B 277 129.756 215.739 234.366 1.00 61.22 O +ATOM 12772 CB PRO B 277 131.173 213.552 236.283 1.00 66.18 C +ATOM 12773 CG PRO B 277 132.356 212.736 236.610 1.00 79.95 C +ATOM 12774 CD PRO B 277 133.539 213.474 236.070 1.00 58.06 C +ATOM 12775 HA PRO B 277 131.175 213.673 234.219 1.00 87.93 H +ATOM 12776 HB2 PRO B 277 131.026 214.231 236.960 1.00 79.41 H +ATOM 12777 HB3 PRO B 277 130.387 212.993 236.180 1.00 79.41 H +ATOM 12778 HG2 PRO B 277 132.427 212.640 237.573 1.00 95.94 H +ATOM 12779 HG3 PRO B 277 132.277 211.867 236.187 1.00 95.94 H +ATOM 12780 HD2 PRO B 277 133.896 214.077 236.740 1.00 69.68 H +ATOM 12781 HD3 PRO B 277 134.213 212.850 235.757 1.00 69.68 H +ATOM 12782 N GLN B 278 131.567 216.620 235.378 1.00 64.71 N +ATOM 12783 CA GLN B 278 131.019 217.971 235.455 1.00 61.21 C +ATOM 12784 C GLN B 278 130.693 218.538 234.078 1.00 58.30 C +ATOM 12785 O GLN B 278 129.674 219.206 233.899 1.00 63.46 O +ATOM 12786 CB GLN B 278 132.000 218.905 236.167 1.00 67.64 C +ATOM 12787 CG GLN B 278 132.508 218.383 237.502 1.00 73.05 C +ATOM 12788 CD GLN B 278 133.840 217.672 237.384 1.00 71.94 C +ATOM 12789 OE1 GLN B 278 133.939 216.471 237.635 1.00 73.40 O +ATOM 12790 NE2 GLN B 278 134.876 218.412 237.008 1.00 68.50 N +ATOM 12791 H GLN B 278 132.367 216.550 235.685 1.00 77.65 H +ATOM 12792 HA GLN B 278 130.199 217.949 235.971 1.00 73.46 H +ATOM 12793 HB2 GLN B 278 132.769 219.045 235.593 1.00 81.16 H +ATOM 12794 HB3 GLN B 278 131.557 219.753 236.332 1.00 81.16 H +ATOM 12795 HG2 GLN B 278 132.619 219.129 238.112 1.00 87.66 H +ATOM 12796 HG3 GLN B 278 131.863 217.754 237.862 1.00 87.66 H +ATOM 12797 HE21 GLN B 278 134.769 219.250 236.846 1.00 82.21 H +ATOM 12798 HE22 GLN B 278 135.654 218.054 236.926 1.00 82.21 H +ATOM 12799 N VAL B 279 131.566 218.274 233.112 1.00 53.97 N +ATOM 12800 CA VAL B 279 131.402 218.798 231.760 1.00 57.16 C +ATOM 12801 C VAL B 279 130.067 218.354 231.169 1.00 52.28 C +ATOM 12802 O VAL B 279 129.805 217.157 231.071 1.00 60.94 O +ATOM 12803 CB VAL B 279 132.534 218.330 230.827 1.00 57.73 C +ATOM 12804 CG1 VAL B 279 132.396 218.975 229.451 1.00 45.57 C +ATOM 12805 CG2 VAL B 279 133.896 218.653 231.430 1.00 51.72 C +ATOM 12806 H VAL B 279 132.269 217.790 233.216 1.00 64.76 H +ATOM 12807 HA VAL B 279 131.414 219.767 231.790 1.00 68.60 H +ATOM 12808 HB VAL B 279 132.475 217.369 230.715 1.00 69.27 H +ATOM 12809 HG11 VAL B 279 133.120 218.665 228.884 1.00 54.68 H +ATOM 12810 HG12 VAL B 279 131.542 218.721 229.068 1.00 54.68 H +ATOM 12811 HG13 VAL B 279 132.442 219.939 229.549 1.00 54.68 H +ATOM 12812 HG21 VAL B 279 134.589 218.348 230.823 1.00 62.06 H +ATOM 12813 HG22 VAL B 279 133.966 219.612 231.557 1.00 62.06 H +ATOM 12814 HG23 VAL B 279 133.980 218.198 232.282 1.00 62.06 H +ATOM 12815 N PRO B 280 129.212 219.310 230.770 1.00 56.51 N +ATOM 12816 CA PRO B 280 127.958 218.885 230.140 1.00 61.13 C +ATOM 12817 C PRO B 280 128.186 218.269 228.762 1.00 50.08 C +ATOM 12818 O PRO B 280 129.139 218.632 228.075 1.00 55.27 O +ATOM 12819 CB PRO B 280 127.153 220.185 230.045 1.00 73.27 C +ATOM 12820 CG PRO B 280 128.164 221.259 230.044 1.00 49.40 C +ATOM 12821 CD PRO B 280 129.294 220.775 230.899 1.00 47.64 C +ATOM 12822 HA PRO B 280 127.489 218.252 230.707 1.00 73.36 H +ATOM 12823 HB2 PRO B 280 126.642 220.194 229.220 1.00 87.92 H +ATOM 12824 HB3 PRO B 280 126.567 220.264 230.814 1.00 87.92 H +ATOM 12825 HG2 PRO B 280 128.468 221.416 229.137 1.00 59.28 H +ATOM 12826 HG3 PRO B 280 127.777 222.066 230.418 1.00 59.28 H +ATOM 12827 HD2 PRO B 280 130.141 221.098 230.555 1.00 57.16 H +ATOM 12828 HD3 PRO B 280 129.159 221.042 231.822 1.00 57.16 H +ATOM 12829 N GLU B 281 127.309 217.345 228.383 1.00 59.63 N +ATOM 12830 CA GLU B 281 127.402 216.614 227.120 1.00 57.79 C +ATOM 12831 C GLU B 281 127.732 217.490 225.913 1.00 51.41 C +ATOM 12832 O GLU B 281 128.684 217.217 225.182 1.00 56.29 O +ATOM 12833 CB GLU B 281 126.086 215.881 226.857 1.00 64.43 C +ATOM 12834 CG GLU B 281 125.877 214.645 227.711 1.00 78.77 C +ATOM 12835 CD GLU B 281 126.437 213.393 227.066 1.00 99.70 C +ATOM 12836 OE1 GLU B 281 125.633 212.527 226.661 1.00 90.35 O +ATOM 12837 OE2 GLU B 281 127.677 213.275 226.964 1.00 79.10 O +ATOM 12838 H GLU B 281 126.628 217.115 228.856 1.00 71.55 H +ATOM 12839 HA GLU B 281 128.102 215.947 227.199 1.00 69.35 H +ATOM 12840 HB2 GLU B 281 125.350 216.488 227.033 1.00 77.31 H +ATOM 12841 HB3 GLU B 281 126.065 215.603 225.927 1.00 77.31 H +ATOM 12842 HG2 GLU B 281 126.324 214.770 228.563 1.00 94.52 H +ATOM 12843 HG3 GLU B 281 124.927 214.512 227.850 1.00 94.52 H +ATOM 12844 N HIS B 282 126.942 218.539 225.710 1.00 45.87 N +ATOM 12845 CA HIS B 282 127.055 219.363 224.509 1.00 53.78 C +ATOM 12846 C HIS B 282 128.381 220.125 224.433 1.00 47.12 C +ATOM 12847 O HIS B 282 128.699 220.711 223.399 1.00 39.17 O +ATOM 12848 CB HIS B 282 125.884 220.345 224.432 1.00 51.66 C +ATOM 12849 CG HIS B 282 125.750 221.225 225.634 1.00 60.46 C +ATOM 12850 ND1 HIS B 282 126.399 222.435 225.748 1.00 49.74 N +ATOM 12851 CD2 HIS B 282 125.043 221.068 226.778 1.00 64.92 C +ATOM 12852 CE1 HIS B 282 126.096 222.986 226.910 1.00 49.88 C +ATOM 12853 NE2 HIS B 282 125.275 222.177 227.554 1.00 75.94 N +ATOM 12854 H HIS B 282 126.328 218.797 226.255 1.00 55.04 H +ATOM 12855 HA HIS B 282 127.005 218.784 223.732 1.00 64.54 H +ATOM 12856 HB2 HIS B 282 126.007 220.918 223.658 1.00 61.99 H +ATOM 12857 HB3 HIS B 282 125.060 219.842 224.340 1.00 61.99 H +ATOM 12858 HD2 HIS B 282 124.501 220.344 226.997 1.00 77.90 H +ATOM 12859 HE1 HIS B 282 126.408 223.805 227.221 1.00 59.86 H +ATOM 12860 HE2 HIS B 282 124.940 222.321 228.333 1.00 91.12 H +ATOM 12861 N LEU B 283 129.148 220.115 225.519 1.00 44.84 N +ATOM 12862 CA LEU B 283 130.469 220.742 225.533 1.00 50.75 C +ATOM 12863 C LEU B 283 131.593 219.718 225.384 1.00 50.88 C +ATOM 12864 O LEU B 283 132.767 220.084 225.346 1.00 48.51 O +ATOM 12865 CB LEU B 283 130.668 221.545 226.821 1.00 44.19 C +ATOM 12866 CG LEU B 283 129.891 222.864 226.933 1.00 54.72 C +ATOM 12867 CD1 LEU B 283 130.200 223.555 228.255 1.00 48.66 C +ATOM 12868 CD2 LEU B 283 130.202 223.796 225.770 1.00 48.75 C +ATOM 12869 H LEU B 283 128.926 219.751 226.266 1.00 53.80 H +ATOM 12870 HA LEU B 283 130.530 221.359 224.786 1.00 60.90 H +ATOM 12871 HB2 LEU B 283 130.399 220.989 227.569 1.00 53.03 H +ATOM 12872 HB3 LEU B 283 131.610 221.758 226.903 1.00 53.03 H +ATOM 12873 HG LEU B 283 128.941 222.670 226.914 1.00 65.67 H +ATOM 12874 HD11 LEU B 283 129.699 224.384 228.301 1.00 58.39 H +ATOM 12875 HD12 LEU B 283 129.942 222.970 228.984 1.00 58.39 H +ATOM 12876 HD13 LEU B 283 131.151 223.740 228.299 1.00 58.39 H +ATOM 12877 HD21 LEU B 283 129.694 224.615 225.878 1.00 58.50 H +ATOM 12878 HD22 LEU B 283 131.152 223.994 225.769 1.00 58.50 H +ATOM 12879 HD23 LEU B 283 129.954 223.359 224.940 1.00 58.50 H +ATOM 12880 N ARG B 284 131.237 218.441 225.293 1.00 47.42 N +ATOM 12881 CA ARG B 284 132.238 217.389 225.156 1.00 41.64 C +ATOM 12882 C ARG B 284 132.669 217.234 223.699 1.00 37.66 C +ATOM 12883 O ARG B 284 132.207 216.344 222.989 1.00 31.98 O +ATOM 12884 CB ARG B 284 131.700 216.067 225.707 1.00 40.13 C +ATOM 12885 CG ARG B 284 131.468 216.117 227.208 1.00 53.65 C +ATOM 12886 CD ARG B 284 131.040 214.787 227.786 1.00 45.90 C +ATOM 12887 NE ARG B 284 130.806 214.895 229.224 1.00 55.06 N +ATOM 12888 CZ ARG B 284 130.714 213.861 230.054 1.00 73.41 C +ATOM 12889 NH1 ARG B 284 130.842 212.621 229.603 1.00 80.84 N +ATOM 12890 NH2 ARG B 284 130.500 214.071 231.346 1.00 68.98 N +ATOM 12891 H ARG B 284 130.426 218.158 225.308 1.00 56.91 H +ATOM 12892 HA ARG B 284 133.021 217.631 225.674 1.00 49.97 H +ATOM 12893 HB2 ARG B 284 130.854 215.865 225.278 1.00 48.16 H +ATOM 12894 HB3 ARG B 284 132.342 215.363 225.525 1.00 48.16 H +ATOM 12895 HG2 ARG B 284 132.291 216.383 227.646 1.00 64.38 H +ATOM 12896 HG3 ARG B 284 130.769 216.763 227.397 1.00 64.38 H +ATOM 12897 HD2 ARG B 284 130.216 214.501 227.362 1.00 55.08 H +ATOM 12898 HD3 ARG B 284 131.740 214.132 227.638 1.00 55.08 H +ATOM 12899 HE ARG B 284 130.722 215.683 229.556 1.00 66.07 H +ATOM 12900 HH11 ARG B 284 130.982 212.481 228.766 1.00 97.01 H +ATOM 12901 HH12 ARG B 284 130.783 211.957 230.146 1.00 97.01 H +ATOM 12902 HH21 ARG B 284 130.417 214.873 231.643 1.00 82.78 H +ATOM 12903 HH22 ARG B 284 130.441 213.404 231.885 1.00 82.78 H +ATOM 12904 N PHE B 285 133.554 218.124 223.266 1.00 41.15 N +ATOM 12905 CA PHE B 285 134.084 218.095 221.910 1.00 39.41 C +ATOM 12906 C PHE B 285 134.894 216.827 221.660 1.00 37.41 C +ATOM 12907 O PHE B 285 135.632 216.366 222.530 1.00 32.39 O +ATOM 12908 CB PHE B 285 134.956 219.329 221.655 1.00 43.93 C +ATOM 12909 CG PHE B 285 134.180 220.614 221.527 1.00 51.34 C +ATOM 12910 CD1 PHE B 285 133.065 220.693 220.712 1.00 49.70 C +ATOM 12911 CD2 PHE B 285 134.575 221.745 222.221 1.00 50.72 C +ATOM 12912 CE1 PHE B 285 132.358 221.873 220.593 1.00 49.50 C +ATOM 12913 CE2 PHE B 285 133.869 222.927 222.106 1.00 59.17 C +ATOM 12914 CZ PHE B 285 132.760 222.991 221.291 1.00 50.70 C +ATOM 12915 H PHE B 285 133.868 218.765 223.747 1.00 49.38 H +ATOM 12916 HA PHE B 285 133.347 218.111 221.280 1.00 47.29 H +ATOM 12917 HB2 PHE B 285 135.577 219.430 222.393 1.00 52.72 H +ATOM 12918 HB3 PHE B 285 135.448 219.197 220.829 1.00 52.72 H +ATOM 12919 HD1 PHE B 285 132.788 219.942 220.238 1.00 59.64 H +ATOM 12920 HD2 PHE B 285 135.323 221.708 222.773 1.00 60.86 H +ATOM 12921 HE1 PHE B 285 131.609 221.914 220.043 1.00 59.41 H +ATOM 12922 HE2 PHE B 285 134.143 223.680 222.578 1.00 71.00 H +ATOM 12923 HZ PHE B 285 132.284 223.786 221.213 1.00 60.84 H +ATOM 12924 N ALA B 286 134.750 216.276 220.459 1.00 41.10 N +ATOM 12925 CA ALA B 286 135.446 215.055 220.072 1.00 41.90 C +ATOM 12926 C ALA B 286 136.460 215.332 218.968 1.00 35.02 C +ATOM 12927 O ALA B 286 136.118 215.873 217.917 1.00 32.21 O +ATOM 12928 CB ALA B 286 134.453 214.004 219.624 1.00 37.97 C +ATOM 12929 H ALA B 286 134.246 216.597 219.840 1.00 49.32 H +ATOM 12930 HA ALA B 286 135.926 214.707 220.840 1.00 50.28 H +ATOM 12931 HB1 ALA B 286 134.936 213.202 219.371 1.00 45.56 H +ATOM 12932 HB2 ALA B 286 133.848 213.810 220.356 1.00 45.56 H +ATOM 12933 HB3 ALA B 286 133.956 214.345 218.864 1.00 45.56 H +ATOM 12934 N VAL B 287 137.712 214.969 219.226 1.00 34.29 N +ATOM 12935 CA VAL B 287 138.783 215.117 218.250 1.00 33.57 C +ATOM 12936 C VAL B 287 139.655 213.864 218.246 1.00 35.33 C +ATOM 12937 O VAL B 287 139.393 212.920 218.992 1.00 31.53 O +ATOM 12938 CB VAL B 287 139.645 216.364 218.540 1.00 37.92 C +ATOM 12939 CG1 VAL B 287 138.809 217.633 218.385 1.00 38.79 C +ATOM 12940 CG2 VAL B 287 140.254 216.291 219.933 1.00 33.70 C +ATOM 12941 H VAL B 287 137.970 214.628 219.972 1.00 41.15 H +ATOM 12942 HA VAL B 287 138.395 215.218 217.366 1.00 40.28 H +ATOM 12943 HB VAL B 287 140.370 216.403 217.897 1.00 45.50 H +ATOM 12944 HG11 VAL B 287 139.368 218.404 218.572 1.00 46.55 H +ATOM 12945 HG12 VAL B 287 138.472 217.680 217.477 1.00 46.55 H +ATOM 12946 HG13 VAL B 287 138.069 217.601 219.012 1.00 46.55 H +ATOM 12947 HG21 VAL B 287 140.789 217.086 220.085 1.00 40.44 H +ATOM 12948 HG22 VAL B 287 139.540 216.241 220.587 1.00 40.44 H +ATOM 12949 HG23 VAL B 287 140.813 215.500 219.991 1.00 40.44 H +ATOM 12950 N GLY B 288 140.680 213.860 217.399 1.00 36.13 N +ATOM 12951 CA GLY B 288 141.546 212.705 217.235 1.00 38.01 C +ATOM 12952 C GLY B 288 142.109 212.173 218.541 1.00 29.42 C +ATOM 12953 O GLY B 288 141.959 210.993 218.850 1.00 28.82 O +ATOM 12954 H GLY B 288 140.895 214.527 216.900 1.00 43.36 H +ATOM 12955 HA2 GLY B 288 141.048 211.991 216.807 1.00 45.62 H +ATOM 12956 HA3 GLY B 288 142.290 212.944 216.660 1.00 45.62 H +ATOM 12957 N GLN B 289 142.742 213.050 219.310 1.00 27.59 N +ATOM 12958 CA GLN B 289 143.340 212.674 220.586 1.00 36.15 C +ATOM 12959 C GLN B 289 142.313 212.719 221.713 1.00 42.81 C +ATOM 12960 O GLN B 289 141.631 213.725 221.907 1.00 40.35 O +ATOM 12961 CB GLN B 289 144.517 213.596 220.911 1.00 34.34 C +ATOM 12962 CG GLN B 289 145.837 212.872 221.108 1.00 34.34 C +ATOM 12963 CD GLN B 289 145.953 212.221 222.468 1.00 34.60 C +ATOM 12964 OE1 GLN B 289 144.967 211.742 223.027 1.00 31.62 O +ATOM 12965 NE2 GLN B 289 147.165 212.205 223.013 1.00 42.10 N +ATOM 12966 H GLN B 289 142.841 213.882 219.113 1.00 33.11 H +ATOM 12967 HA GLN B 289 143.677 211.767 220.522 1.00 43.38 H +ATOM 12968 HB2 GLN B 289 144.631 214.225 220.181 1.00 41.21 H +ATOM 12969 HB3 GLN B 289 144.319 214.076 221.730 1.00 41.21 H +ATOM 12970 HG2 GLN B 289 145.921 212.179 220.435 1.00 41.21 H +ATOM 12971 HG3 GLN B 289 146.563 213.510 221.018 1.00 41.21 H +ATOM 12972 HE21 GLN B 289 147.830 212.553 222.593 1.00 50.52 H +ATOM 12973 HE22 GLN B 289 147.284 211.846 223.785 1.00 50.52 H +ATOM 12974 N GLU B 290 142.228 211.623 222.459 1.00 45.69 N +ATOM 12975 CA GLU B 290 141.233 211.466 223.516 1.00 39.85 C +ATOM 12976 C GLU B 290 141.419 212.436 224.685 1.00 45.40 C +ATOM 12977 O GLU B 290 140.476 212.686 225.437 1.00 44.36 O +ATOM 12978 CB GLU B 290 141.263 210.031 224.053 1.00 39.99 C +ATOM 12979 CG GLU B 290 140.776 208.973 223.072 1.00 67.90 C +ATOM 12980 CD GLU B 290 141.853 208.500 222.102 1.00 85.92 C +ATOM 12981 OE1 GLU B 290 142.865 209.213 221.915 1.00 58.33 O +ATOM 12982 OE2 GLU B 290 141.684 207.404 221.525 1.00 72.51 O +ATOM 12983 H GLU B 290 142.746 210.942 222.370 1.00 54.82 H +ATOM 12984 HA GLU B 290 140.353 211.622 223.139 1.00 47.82 H +ATOM 12985 HB2 GLU B 290 142.177 209.809 224.293 1.00 47.99 H +ATOM 12986 HB3 GLU B 290 140.699 209.983 224.840 1.00 47.99 H +ATOM 12987 HG2 GLU B 290 140.465 208.201 223.571 1.00 81.48 H +ATOM 12988 HG3 GLU B 290 140.047 209.342 222.549 1.00 81.48 H +ATOM 12989 N VAL B 291 142.625 212.977 224.838 1.00 39.71 N +ATOM 12990 CA VAL B 291 142.958 213.779 226.015 1.00 43.93 C +ATOM 12991 C VAL B 291 142.888 215.285 225.776 1.00 38.93 C +ATOM 12992 O VAL B 291 143.092 216.071 226.699 1.00 34.23 O +ATOM 12993 CB VAL B 291 144.379 213.447 226.535 1.00 43.26 C +ATOM 12994 CG1 VAL B 291 144.529 211.948 226.745 1.00 42.98 C +ATOM 12995 CG2 VAL B 291 145.452 213.961 225.573 1.00 40.23 C +ATOM 12996 H VAL B 291 143.269 212.896 224.274 1.00 47.65 H +ATOM 12997 HA VAL B 291 142.329 213.565 226.722 1.00 52.71 H +ATOM 12998 HB VAL B 291 144.511 213.883 227.391 1.00 51.91 H +ATOM 12999 HG11 VAL B 291 145.425 211.763 227.070 1.00 51.58 H +ATOM 13000 HG12 VAL B 291 143.874 211.653 227.397 1.00 51.58 H +ATOM 13001 HG13 VAL B 291 144.384 211.494 225.900 1.00 51.58 H +ATOM 13002 HG21 VAL B 291 146.326 213.737 225.928 1.00 48.28 H +ATOM 13003 HG22 VAL B 291 145.327 213.541 224.708 1.00 48.28 H +ATOM 13004 HG23 VAL B 291 145.365 214.924 225.490 1.00 48.28 H +ATOM 13005 N PHE B 292 142.605 215.692 224.544 1.00 33.64 N +ATOM 13006 CA PHE B 292 142.738 217.096 224.165 1.00 41.15 C +ATOM 13007 C PHE B 292 141.624 217.979 224.724 1.00 46.91 C +ATOM 13008 O PHE B 292 141.620 219.187 224.503 1.00 40.80 O +ATOM 13009 CB PHE B 292 142.797 217.229 222.640 1.00 31.21 C +ATOM 13010 CG PHE B 292 144.164 216.974 222.050 1.00 33.60 C +ATOM 13011 CD1 PHE B 292 145.228 216.567 222.840 1.00 35.41 C +ATOM 13012 CD2 PHE B 292 144.383 217.156 220.697 1.00 31.46 C +ATOM 13013 CE1 PHE B 292 146.473 216.346 222.292 1.00 35.81 C +ATOM 13014 CE2 PHE B 292 145.626 216.933 220.145 1.00 31.58 C +ATOM 13015 CZ PHE B 292 146.673 216.528 220.943 1.00 32.61 C +ATOM 13016 H PHE B 292 142.334 215.178 223.910 1.00 40.37 H +ATOM 13017 HA PHE B 292 143.578 217.430 224.519 1.00 49.38 H +ATOM 13018 HB2 PHE B 292 142.182 216.590 222.248 1.00 37.46 H +ATOM 13019 HB3 PHE B 292 142.533 218.130 222.396 1.00 37.46 H +ATOM 13020 HD1 PHE B 292 145.101 216.443 223.753 1.00 42.49 H +ATOM 13021 HD2 PHE B 292 143.681 217.430 220.151 1.00 37.75 H +ATOM 13022 HE1 PHE B 292 147.178 216.071 222.833 1.00 42.97 H +ATOM 13023 HE2 PHE B 292 145.759 217.058 219.233 1.00 37.90 H +ATOM 13024 HZ PHE B 292 147.511 216.377 220.571 1.00 39.13 H +ATOM 13025 N GLY B 293 140.696 217.381 225.463 1.00 55.91 N +ATOM 13026 CA GLY B 293 139.710 218.145 226.199 1.00 48.77 C +ATOM 13027 C GLY B 293 140.289 218.672 227.502 1.00 54.19 C +ATOM 13028 O GLY B 293 139.647 219.455 228.202 1.00 56.69 O +ATOM 13029 H GLY B 293 140.619 216.529 225.552 1.00 67.09 H +ATOM 13030 HA2 GLY B 293 139.412 218.898 225.664 1.00 58.52 H +ATOM 13031 HA3 GLY B 293 138.945 217.585 226.402 1.00 58.52 H +ATOM 13032 N LEU B 294 141.506 218.238 227.822 1.00 60.96 N +ATOM 13033 CA LEU B 294 142.194 218.624 229.054 1.00 63.28 C +ATOM 13034 C LEU B 294 142.266 220.135 229.237 1.00 58.97 C +ATOM 13035 O LEU B 294 141.866 220.652 230.280 1.00 64.27 O +ATOM 13036 CB LEU B 294 143.608 218.035 229.067 1.00 79.39 C +ATOM 13037 CG LEU B 294 144.498 218.353 230.273 1.00 82.63 C +ATOM 13038 CD1 LEU B 294 143.870 217.856 231.566 1.00 67.98 C +ATOM 13039 CD2 LEU B 294 145.887 217.750 230.084 1.00 59.90 C +ATOM 13040 H LEU B 294 141.966 217.705 227.327 1.00 73.15 H +ATOM 13041 HA LEU B 294 141.711 218.255 229.810 1.00 75.94 H +ATOM 13042 HB2 LEU B 294 143.531 217.069 229.020 1.00 95.26 H +ATOM 13043 HB3 LEU B 294 144.073 218.355 228.279 1.00 95.26 H +ATOM 13044 HG LEU B 294 144.599 219.316 230.342 1.00 99.16 H +ATOM 13045 HD11 LEU B 294 144.458 218.073 232.307 1.00 81.58 H +ATOM 13046 HD12 LEU B 294 143.011 218.290 231.687 1.00 81.58 H +ATOM 13047 HD13 LEU B 294 143.751 216.895 231.510 1.00 81.58 H +ATOM 13048 HD21 LEU B 294 146.431 217.964 230.858 1.00 71.88 H +ATOM 13049 HD22 LEU B 294 145.803 216.788 229.994 1.00 71.88 H +ATOM 13050 HD23 LEU B 294 146.287 218.124 229.284 1.00 71.88 H +ATOM 13051 N VAL B 295 142.771 220.839 228.229 1.00 52.33 N +ATOM 13052 CA VAL B 295 142.876 222.293 228.295 1.00 56.92 C +ATOM 13053 C VAL B 295 142.345 222.953 227.022 1.00 50.56 C +ATOM 13054 O VAL B 295 142.462 222.393 225.935 1.00 47.52 O +ATOM 13055 CB VAL B 295 144.328 222.748 228.523 1.00 53.99 C +ATOM 13056 CG1 VAL B 295 144.722 222.540 229.966 1.00 66.77 C +ATOM 13057 CG2 VAL B 295 145.275 222.019 227.590 1.00 54.16 C +ATOM 13058 H VAL B 295 143.061 220.498 227.494 1.00 62.80 H +ATOM 13059 HA VAL B 295 142.343 222.611 229.040 1.00 68.30 H +ATOM 13060 HB VAL B 295 144.392 223.697 228.331 1.00 64.79 H +ATOM 13061 HG11 VAL B 295 145.639 222.833 230.087 1.00 80.13 H +ATOM 13062 HG12 VAL B 295 144.131 223.059 230.533 1.00 80.13 H +ATOM 13063 HG13 VAL B 295 144.645 221.597 230.181 1.00 80.13 H +ATOM 13064 HG21 VAL B 295 146.180 222.327 227.757 1.00 64.99 H +ATOM 13065 HG22 VAL B 295 145.213 221.066 227.759 1.00 64.99 H +ATOM 13066 HG23 VAL B 295 145.024 222.211 226.673 1.00 64.99 H +ATOM 13067 N PRO B 296 141.755 224.155 227.153 1.00 50.42 N +ATOM 13068 CA PRO B 296 141.223 224.886 225.995 1.00 48.37 C +ATOM 13069 C PRO B 296 142.289 225.232 224.962 1.00 42.22 C +ATOM 13070 O PRO B 296 141.968 225.411 223.787 1.00 32.93 O +ATOM 13071 CB PRO B 296 140.645 226.162 226.622 1.00 67.43 C +ATOM 13072 CG PRO B 296 140.408 225.819 228.037 1.00 62.86 C +ATOM 13073 CD PRO B 296 141.481 224.868 228.413 1.00 61.36 C +ATOM 13074 HA PRO B 296 140.511 224.382 225.572 1.00 58.04 H +ATOM 13075 HB2 PRO B 296 141.289 226.884 226.547 1.00 80.91 H +ATOM 13076 HB3 PRO B 296 139.814 226.396 226.181 1.00 80.91 H +ATOM 13077 HG2 PRO B 296 140.460 226.622 228.578 1.00 75.43 H +ATOM 13078 HG3 PRO B 296 139.536 225.403 228.127 1.00 75.43 H +ATOM 13079 HD2 PRO B 296 142.270 225.347 228.709 1.00 73.63 H +ATOM 13080 HD3 PRO B 296 141.163 224.250 229.089 1.00 73.63 H +ATOM 13081 N GLY B 297 143.539 225.332 225.404 1.00 45.54 N +ATOM 13082 CA GLY B 297 144.643 225.628 224.510 1.00 36.80 C +ATOM 13083 C GLY B 297 144.850 224.517 223.502 1.00 31.17 C +ATOM 13084 O GLY B 297 145.192 224.766 222.346 1.00 33.84 O +ATOM 13085 H GLY B 297 143.772 225.230 226.225 1.00 54.64 H +ATOM 13086 HA2 GLY B 297 144.464 226.452 224.032 1.00 44.16 H +ATOM 13087 HA3 GLY B 297 145.459 225.737 225.024 1.00 44.16 H +ATOM 13088 N LEU B 298 144.648 223.281 223.941 1.00 29.07 N +ATOM 13089 CA LEU B 298 144.733 222.137 223.047 1.00 33.97 C +ATOM 13090 C LEU B 298 143.531 222.108 222.117 1.00 38.42 C +ATOM 13091 O LEU B 298 143.663 221.857 220.918 1.00 31.62 O +ATOM 13092 CB LEU B 298 144.816 220.833 223.841 1.00 29.87 C +ATOM 13093 CG LEU B 298 146.133 220.573 224.572 1.00 40.80 C +ATOM 13094 CD1 LEU B 298 146.002 219.346 225.461 1.00 46.27 C +ATOM 13095 CD2 LEU B 298 147.279 220.403 223.586 1.00 34.14 C +ATOM 13096 H LEU B 298 144.458 223.079 224.756 1.00 34.89 H +ATOM 13097 HA LEU B 298 145.534 222.214 222.505 1.00 40.77 H +ATOM 13098 HB2 LEU B 298 144.111 220.837 224.507 1.00 35.85 H +ATOM 13099 HB3 LEU B 298 144.675 220.094 223.228 1.00 35.85 H +ATOM 13100 HG LEU B 298 146.335 221.334 225.139 1.00 48.96 H +ATOM 13101 HD11 LEU B 298 146.844 219.195 225.917 1.00 55.52 H +ATOM 13102 HD12 LEU B 298 145.297 219.501 226.109 1.00 55.52 H +ATOM 13103 HD13 LEU B 298 145.782 218.579 224.909 1.00 55.52 H +ATOM 13104 HD21 LEU B 298 148.098 220.240 224.079 1.00 40.97 H +ATOM 13105 HD22 LEU B 298 147.086 219.650 223.006 1.00 40.97 H +ATOM 13106 HD23 LEU B 298 147.365 221.213 223.060 1.00 40.97 H +ATOM 13107 N MET B 299 142.357 222.369 222.677 1.00 36.04 N +ATOM 13108 CA MET B 299 141.130 222.352 221.898 1.00 29.58 C +ATOM 13109 C MET B 299 141.143 223.478 220.866 1.00 27.87 C +ATOM 13110 O MET B 299 140.498 223.377 219.824 1.00 29.13 O +ATOM 13111 CB MET B 299 139.915 222.465 222.819 1.00 36.24 C +ATOM 13112 CG MET B 299 138.582 222.155 222.149 1.00 66.10 C +ATOM 13113 SD MET B 299 138.510 220.532 221.362 1.00 38.57 S +ATOM 13114 CE MET B 299 138.835 219.457 222.751 1.00 40.07 C +ATOM 13115 H MET B 299 142.244 222.560 223.508 1.00 43.25 H +ATOM 13116 HA MET B 299 141.069 221.503 221.432 1.00 35.50 H +ATOM 13117 HB2 MET B 299 140.025 221.844 223.556 1.00 43.49 H +ATOM 13118 HB3 MET B 299 139.868 223.372 223.160 1.00 43.49 H +ATOM 13119 HG2 MET B 299 137.881 222.190 222.818 1.00 79.33 H +ATOM 13120 HG3 MET B 299 138.415 222.822 221.465 1.00 79.33 H +ATOM 13121 HE1 MET B 299 139.707 219.672 223.118 1.00 48.08 H +ATOM 13122 HE2 MET B 299 138.150 219.594 223.423 1.00 48.08 H +ATOM 13123 HE3 MET B 299 138.822 218.536 222.447 1.00 48.08 H +ATOM 13124 N MET B 300 141.891 224.541 221.150 1.00 28.55 N +ATOM 13125 CA MET B 300 142.058 225.629 220.194 1.00 30.16 C +ATOM 13126 C MET B 300 142.767 225.134 218.940 1.00 36.10 C +ATOM 13127 O MET B 300 142.279 225.323 217.829 1.00 36.10 O +ATOM 13128 CB MET B 300 142.849 226.785 220.814 1.00 29.99 C +ATOM 13129 CG MET B 300 143.059 227.975 219.875 1.00 27.63 C +ATOM 13130 SD MET B 300 144.362 229.099 220.417 1.00 40.12 S +ATOM 13131 CE MET B 300 145.812 228.069 220.193 1.00 44.15 C +ATOM 13132 H MET B 300 142.312 224.655 221.891 1.00 34.26 H +ATOM 13133 HA MET B 300 141.183 225.967 219.947 1.00 36.19 H +ATOM 13134 HB2 MET B 300 142.372 227.105 221.595 1.00 35.99 H +ATOM 13135 HB3 MET B 300 143.724 226.458 221.076 1.00 35.99 H +ATOM 13136 HG2 MET B 300 143.300 227.642 218.996 1.00 33.15 H +ATOM 13137 HG3 MET B 300 142.233 228.480 219.821 1.00 33.15 H +ATOM 13138 HE1 MET B 300 145.724 227.277 220.746 1.00 52.99 H +ATOM 13139 HE2 MET B 300 145.878 227.816 219.259 1.00 52.99 H +ATOM 13140 HE3 MET B 300 146.599 228.571 220.456 1.00 52.99 H +ATOM 13141 N TYR B 301 143.925 224.506 219.118 1.00 30.89 N +ATOM 13142 CA TYR B 301 144.694 224.013 217.982 1.00 28.50 C +ATOM 13143 C TYR B 301 143.954 222.896 217.258 1.00 25.74 C +ATOM 13144 O TYR B 301 144.020 222.793 216.034 1.00 25.98 O +ATOM 13145 CB TYR B 301 146.074 223.528 218.429 1.00 31.08 C +ATOM 13146 CG TYR B 301 147.111 224.623 218.452 1.00 20.27 C +ATOM 13147 CD1 TYR B 301 147.555 225.202 217.273 1.00 24.13 C +ATOM 13148 CD2 TYR B 301 147.644 225.080 219.647 1.00 25.71 C +ATOM 13149 CE1 TYR B 301 148.497 226.205 217.282 1.00 24.49 C +ATOM 13150 CE2 TYR B 301 148.590 226.084 219.666 1.00 24.88 C +ATOM 13151 CZ TYR B 301 149.013 226.642 218.480 1.00 24.53 C +ATOM 13152 OH TYR B 301 149.956 227.640 218.492 1.00 29.77 O +ATOM 13153 H TYR B 301 144.286 224.352 219.883 1.00 37.07 H +ATOM 13154 HA TYR B 301 144.824 224.740 217.353 1.00 34.20 H +ATOM 13155 HB2 TYR B 301 146.004 223.164 219.325 1.00 37.30 H +ATOM 13156 HB3 TYR B 301 146.380 222.841 217.816 1.00 37.30 H +ATOM 13157 HD1 TYR B 301 147.207 224.910 216.461 1.00 28.96 H +ATOM 13158 HD2 TYR B 301 147.359 224.705 220.449 1.00 30.85 H +ATOM 13159 HE1 TYR B 301 148.785 226.583 216.483 1.00 29.39 H +ATOM 13160 HE2 TYR B 301 148.940 226.381 220.474 1.00 29.85 H +ATOM 13161 HH TYR B 301 150.184 227.810 219.282 1.00 35.72 H +ATOM 13162 N ALA B 302 143.252 222.064 218.016 1.00 25.23 N +ATOM 13163 CA ALA B 302 142.431 221.016 217.429 1.00 27.42 C +ATOM 13164 C ALA B 302 141.369 221.646 216.536 1.00 32.42 C +ATOM 13165 O ALA B 302 141.116 221.172 215.428 1.00 26.31 O +ATOM 13166 CB ALA B 302 141.789 220.169 218.508 1.00 30.06 C +ATOM 13167 H ALA B 302 143.235 222.085 218.876 1.00 30.28 H +ATOM 13168 HA ALA B 302 142.988 220.441 216.881 1.00 32.90 H +ATOM 13169 HB1 ALA B 302 141.249 219.481 218.088 1.00 36.07 H +ATOM 13170 HB2 ALA B 302 142.486 219.761 219.045 1.00 36.07 H +ATOM 13171 HB3 ALA B 302 141.231 220.736 219.063 1.00 36.07 H +ATOM 13172 N THR B 303 140.762 222.723 217.025 1.00 30.94 N +ATOM 13173 CA THR B 303 139.784 223.475 216.251 1.00 27.86 C +ATOM 13174 C THR B 303 140.424 224.046 214.989 1.00 30.07 C +ATOM 13175 O THR B 303 139.890 223.892 213.892 1.00 27.40 O +ATOM 13176 CB THR B 303 139.168 224.621 217.082 1.00 33.70 C +ATOM 13177 OG1 THR B 303 138.433 224.072 218.182 1.00 31.53 O +ATOM 13178 CG2 THR B 303 138.231 225.477 216.237 1.00 38.31 C +ATOM 13179 H THR B 303 140.902 223.041 217.812 1.00 37.12 H +ATOM 13180 HA THR B 303 139.068 222.880 215.982 1.00 33.43 H +ATOM 13181 HB THR B 303 139.877 225.189 217.422 1.00 40.44 H +ATOM 13182 HG1 THR B 303 138.944 223.619 218.672 1.00 37.83 H +ATOM 13183 HG21 THR B 303 137.855 226.189 216.778 1.00 45.97 H +ATOM 13184 HG22 THR B 303 138.718 225.868 215.495 1.00 45.97 H +ATOM 13185 HG23 THR B 303 137.509 224.932 215.888 1.00 45.97 H +ATOM 13186 N ILE B 304 141.573 224.694 215.151 1.00 29.00 N +ATOM 13187 CA ILE B 304 142.267 225.317 214.029 1.00 27.68 C +ATOM 13188 C ILE B 304 142.617 224.294 212.954 1.00 31.75 C +ATOM 13189 O ILE B 304 142.379 224.527 211.768 1.00 28.96 O +ATOM 13190 CB ILE B 304 143.555 226.036 214.492 1.00 32.03 C +ATOM 13191 CG1 ILE B 304 143.194 227.267 215.326 1.00 30.30 C +ATOM 13192 CG2 ILE B 304 144.414 226.452 213.287 1.00 41.54 C +ATOM 13193 CD1 ILE B 304 144.381 228.018 215.899 1.00 38.61 C +ATOM 13194 H ILE B 304 141.974 224.787 215.906 1.00 34.79 H +ATOM 13195 HA ILE B 304 141.683 225.981 213.629 1.00 33.21 H +ATOM 13196 HB ILE B 304 144.070 225.427 215.044 1.00 38.43 H +ATOM 13197 HG12 ILE B 304 142.698 227.885 214.766 1.00 36.36 H +ATOM 13198 HG13 ILE B 304 142.639 226.985 216.070 1.00 36.36 H +ATOM 13199 HG21 ILE B 304 145.213 226.899 213.608 1.00 49.85 H +ATOM 13200 HG22 ILE B 304 144.658 225.659 212.785 1.00 49.85 H +ATOM 13201 HG23 ILE B 304 143.901 227.054 212.726 1.00 49.85 H +ATOM 13202 HD11 ILE B 304 144.058 228.777 216.409 1.00 46.34 H +ATOM 13203 HD12 ILE B 304 144.884 227.421 216.475 1.00 46.34 H +ATOM 13204 HD13 ILE B 304 144.943 228.324 215.169 1.00 46.34 H +ATOM 13205 N TRP B 305 143.183 223.164 213.368 1.00 31.20 N +ATOM 13206 CA TRP B 305 143.604 222.138 212.420 1.00 28.06 C +ATOM 13207 C TRP B 305 142.403 221.459 211.759 1.00 22.22 C +ATOM 13208 O TRP B 305 142.480 221.067 210.598 1.00 28.14 O +ATOM 13209 CB TRP B 305 144.494 221.092 213.107 1.00 27.33 C +ATOM 13210 CG TRP B 305 145.917 221.541 213.293 1.00 21.81 C +ATOM 13211 CD1 TRP B 305 146.526 221.873 214.469 1.00 28.42 C +ATOM 13212 CD2 TRP B 305 146.906 221.713 212.270 1.00 18.29 C +ATOM 13213 NE1 TRP B 305 147.831 222.238 214.242 1.00 23.61 N +ATOM 13214 CE2 TRP B 305 148.088 222.149 212.899 1.00 20.77 C +ATOM 13215 CE3 TRP B 305 146.907 221.540 210.883 1.00 24.77 C +ATOM 13216 CZ2 TRP B 305 149.257 222.414 212.190 1.00 21.90 C +ATOM 13217 CZ3 TRP B 305 148.068 221.803 210.182 1.00 23.02 C +ATOM 13218 CH2 TRP B 305 149.227 222.236 210.836 1.00 22.06 C +ATOM 13219 H TRP B 305 143.334 222.968 214.191 1.00 37.44 H +ATOM 13220 HA TRP B 305 144.128 222.557 211.720 1.00 33.67 H +ATOM 13221 HB2 TRP B 305 144.128 220.895 213.983 1.00 32.80 H +ATOM 13222 HB3 TRP B 305 144.506 220.287 212.566 1.00 32.80 H +ATOM 13223 HD1 TRP B 305 146.117 221.854 215.304 1.00 34.10 H +ATOM 13224 HE1 TRP B 305 148.394 222.483 214.844 1.00 28.33 H +ATOM 13225 HE3 TRP B 305 146.140 221.254 210.440 1.00 29.73 H +ATOM 13226 HZ2 TRP B 305 150.030 222.700 212.623 1.00 26.29 H +ATOM 13227 HZ3 TRP B 305 148.079 221.692 209.258 1.00 27.62 H +ATOM 13228 HH2 TRP B 305 149.995 222.405 210.338 1.00 26.47 H +ATOM 13229 N LEU B 306 141.301 221.324 212.488 1.00 27.35 N +ATOM 13230 CA LEU B 306 140.070 220.790 211.903 1.00 29.93 C +ATOM 13231 C LEU B 306 139.593 221.682 210.760 1.00 30.69 C +ATOM 13232 O LEU B 306 139.227 221.197 209.689 1.00 31.24 O +ATOM 13233 CB LEU B 306 138.968 220.666 212.956 1.00 30.08 C +ATOM 13234 CG LEU B 306 137.619 220.154 212.435 1.00 42.73 C +ATOM 13235 CD1 LEU B 306 137.682 218.668 212.134 1.00 43.63 C +ATOM 13236 CD2 LEU B 306 136.505 220.453 213.416 1.00 41.22 C +ATOM 13237 H LEU B 306 141.236 221.531 213.320 1.00 32.83 H +ATOM 13238 HA LEU B 306 140.246 219.906 211.544 1.00 35.91 H +ATOM 13239 HB2 LEU B 306 139.268 220.051 213.644 1.00 36.10 H +ATOM 13240 HB3 LEU B 306 138.817 221.541 213.348 1.00 36.10 H +ATOM 13241 HG LEU B 306 137.412 220.614 211.606 1.00 51.28 H +ATOM 13242 HD11 LEU B 306 136.816 218.375 211.808 1.00 52.36 H +ATOM 13243 HD12 LEU B 306 138.361 218.511 211.460 1.00 52.36 H +ATOM 13244 HD13 LEU B 306 137.907 218.191 212.948 1.00 52.36 H +ATOM 13245 HD21 LEU B 306 135.669 220.118 213.056 1.00 49.46 H +ATOM 13246 HD22 LEU B 306 136.702 220.017 214.259 1.00 49.46 H +ATOM 13247 HD23 LEU B 306 136.448 221.413 213.545 1.00 49.46 H +ATOM 13248 N ARG B 307 139.594 222.987 211.001 1.00 31.55 N +ATOM 13249 CA ARG B 307 139.197 223.954 209.986 1.00 30.88 C +ATOM 13250 C ARG B 307 140.103 223.867 208.764 1.00 32.82 C +ATOM 13251 O ARG B 307 139.638 223.960 207.628 1.00 26.35 O +ATOM 13252 CB ARG B 307 139.225 225.370 210.559 1.00 30.42 C +ATOM 13253 CG ARG B 307 138.212 225.605 211.662 1.00 32.73 C +ATOM 13254 CD ARG B 307 138.437 226.946 212.333 1.00 34.33 C +ATOM 13255 NE ARG B 307 137.467 227.205 213.391 1.00 35.29 N +ATOM 13256 CZ ARG B 307 137.360 228.360 214.039 1.00 41.79 C +ATOM 13257 NH1 ARG B 307 138.160 229.373 213.736 1.00 38.85 N +ATOM 13258 NH2 ARG B 307 136.448 228.504 214.991 1.00 38.11 N +ATOM 13259 H ARG B 307 139.823 223.342 211.750 1.00 37.86 H +ATOM 13260 HA ARG B 307 138.290 223.761 209.703 1.00 37.06 H +ATOM 13261 HB2 ARG B 307 140.107 225.541 210.925 1.00 36.50 H +ATOM 13262 HB3 ARG B 307 139.038 225.999 209.845 1.00 36.50 H +ATOM 13263 HG2 ARG B 307 137.318 225.599 211.284 1.00 39.28 H +ATOM 13264 HG3 ARG B 307 138.299 224.910 212.332 1.00 39.28 H +ATOM 13265 HD2 ARG B 307 139.323 226.959 212.726 1.00 41.20 H +ATOM 13266 HD3 ARG B 307 138.355 227.650 211.670 1.00 41.20 H +ATOM 13267 HE ARG B 307 136.918 226.576 213.597 1.00 42.35 H +ATOM 13268 HH11 ARG B 307 138.753 229.282 213.119 1.00 46.62 H +ATOM 13269 HH12 ARG B 307 138.087 230.119 214.157 1.00 46.62 H +ATOM 13270 HH21 ARG B 307 135.927 227.849 215.189 1.00 45.73 H +ATOM 13271 HH22 ARG B 307 136.378 229.252 215.409 1.00 45.73 H +ATOM 13272 N GLU B 308 141.398 223.684 209.003 1.00 29.02 N +ATOM 13273 CA GLU B 308 142.361 223.565 207.916 1.00 30.48 C +ATOM 13274 C GLU B 308 142.064 222.355 207.033 1.00 33.64 C +ATOM 13275 O GLU B 308 142.149 222.447 205.810 1.00 33.82 O +ATOM 13276 CB GLU B 308 143.788 223.475 208.468 1.00 31.58 C +ATOM 13277 CG GLU B 308 144.869 223.278 207.406 1.00 33.46 C +ATOM 13278 CD GLU B 308 144.967 224.435 206.429 1.00 37.10 C +ATOM 13279 OE1 GLU B 308 144.408 225.515 206.712 1.00 39.87 O +ATOM 13280 OE2 GLU B 308 145.610 224.262 205.374 1.00 34.24 O +ATOM 13281 H GLU B 308 141.745 223.626 209.788 1.00 34.82 H +ATOM 13282 HA GLU B 308 142.306 224.358 207.361 1.00 36.57 H +ATOM 13283 HB2 GLU B 308 143.989 224.297 208.942 1.00 37.90 H +ATOM 13284 HB3 GLU B 308 143.837 222.724 209.080 1.00 37.90 H +ATOM 13285 HG2 GLU B 308 145.729 223.185 207.846 1.00 40.15 H +ATOM 13286 HG3 GLU B 308 144.669 222.475 206.899 1.00 40.15 H +ATOM 13287 N HIS B 309 141.721 221.223 207.642 1.00 29.21 N +ATOM 13288 CA HIS B 309 141.412 220.030 206.861 1.00 29.73 C +ATOM 13289 C HIS B 309 140.232 220.274 205.929 1.00 29.73 C +ATOM 13290 O HIS B 309 140.286 219.943 204.746 1.00 33.50 O +ATOM 13291 CB HIS B 309 141.097 218.831 207.755 1.00 28.37 C +ATOM 13292 CG HIS B 309 140.587 217.648 206.993 1.00 25.14 C +ATOM 13293 ND1 HIS B 309 141.422 216.768 206.340 1.00 26.25 N +ATOM 13294 CD2 HIS B 309 139.326 217.226 206.742 1.00 28.44 C +ATOM 13295 CE1 HIS B 309 140.699 215.841 205.739 1.00 29.51 C +ATOM 13296 NE2 HIS B 309 139.424 216.097 205.965 1.00 26.45 N +ATOM 13297 H HIS B 309 141.659 221.120 208.494 1.00 35.05 H +ATOM 13298 HA HIS B 309 142.181 219.803 206.316 1.00 35.67 H +ATOM 13299 HB2 HIS B 309 141.906 218.562 208.218 1.00 34.05 H +ATOM 13300 HB3 HIS B 309 140.418 219.088 208.398 1.00 34.05 H +ATOM 13301 HD2 HIS B 309 138.541 217.620 207.046 1.00 34.13 H +ATOM 13302 HE1 HIS B 309 141.031 215.131 205.239 1.00 35.41 H +ATOM 13303 HE2 HIS B 309 138.761 215.630 205.677 1.00 31.74 H +ATOM 13304 N ASN B 310 139.161 220.848 206.466 1.00 33.83 N +ATOM 13305 CA ASN B 310 137.969 221.103 205.671 1.00 35.91 C +ATOM 13306 C ASN B 310 138.203 222.221 204.659 1.00 38.36 C +ATOM 13307 O ASN B 310 137.587 222.235 203.594 1.00 37.69 O +ATOM 13308 CB ASN B 310 136.783 221.437 206.579 1.00 35.75 C +ATOM 13309 CG ASN B 310 136.310 220.234 207.385 1.00 37.92 C +ATOM 13310 OD1 ASN B 310 136.643 219.091 207.071 1.00 30.04 O +ATOM 13311 ND2 ASN B 310 135.526 220.489 208.426 1.00 31.83 N +ATOM 13312 H ASN B 310 139.100 221.097 207.286 1.00 40.59 H +ATOM 13313 HA ASN B 310 137.746 220.299 205.177 1.00 43.09 H +ATOM 13314 HB2 ASN B 310 137.046 222.132 207.202 1.00 42.90 H +ATOM 13315 HB3 ASN B 310 136.042 221.743 206.032 1.00 42.90 H +ATOM 13316 HD21 ASN B 310 135.233 219.844 208.912 1.00 38.19 H +ATOM 13317 HD22 ASN B 310 135.312 221.301 208.614 1.00 38.19 H +ATOM 13318 N ARG B 311 139.104 223.145 204.981 1.00 34.90 N +ATOM 13319 CA ARG B 311 139.503 224.174 204.028 1.00 27.10 C +ATOM 13320 C ARG B 311 140.245 223.548 202.849 1.00 35.27 C +ATOM 13321 O ARG B 311 139.988 223.887 201.696 1.00 38.61 O +ATOM 13322 CB ARG B 311 140.386 225.231 204.695 1.00 32.49 C +ATOM 13323 CG ARG B 311 140.682 226.434 203.802 1.00 28.13 C +ATOM 13324 CD ARG B 311 141.768 227.326 204.385 1.00 35.05 C +ATOM 13325 NE ARG B 311 143.088 226.705 204.301 1.00 34.11 N +ATOM 13326 CZ ARG B 311 143.909 226.802 203.259 1.00 36.76 C +ATOM 13327 NH1 ARG B 311 143.565 227.506 202.189 1.00 40.93 N +ATOM 13328 NH2 ARG B 311 145.085 226.192 203.285 1.00 48.31 N +ATOM 13329 H ARG B 311 139.497 223.197 205.744 1.00 41.88 H +ATOM 13330 HA ARG B 311 138.710 224.615 203.686 1.00 32.52 H +ATOM 13331 HB2 ARG B 311 139.938 225.556 205.492 1.00 38.99 H +ATOM 13332 HB3 ARG B 311 141.233 224.824 204.936 1.00 38.99 H +ATOM 13333 HG2 ARG B 311 140.982 226.120 202.935 1.00 33.75 H +ATOM 13334 HG3 ARG B 311 139.876 226.964 203.705 1.00 33.75 H +ATOM 13335 HD2 ARG B 311 141.794 228.160 203.890 1.00 42.06 H +ATOM 13336 HD3 ARG B 311 141.572 227.498 205.319 1.00 42.06 H +ATOM 13337 HE ARG B 311 143.354 226.242 204.976 1.00 40.93 H +ATOM 13338 HH11 ARG B 311 142.802 227.903 202.163 1.00 49.12 H +ATOM 13339 HH12 ARG B 311 144.103 227.563 201.520 1.00 49.12 H +ATOM 13340 HH21 ARG B 311 145.317 225.735 203.976 1.00 57.97 H +ATOM 13341 HH22 ARG B 311 145.618 226.256 202.614 1.00 57.97 H +ATOM 13342 N VAL B 312 141.167 222.635 203.144 1.00 34.02 N +ATOM 13343 CA VAL B 312 141.947 221.972 202.104 1.00 28.80 C +ATOM 13344 C VAL B 312 141.036 221.110 201.236 1.00 25.45 C +ATOM 13345 O VAL B 312 141.267 220.967 200.036 1.00 31.37 O +ATOM 13346 CB VAL B 312 143.085 221.109 202.708 1.00 35.24 C +ATOM 13347 CG1 VAL B 312 143.688 220.166 201.662 1.00 36.59 C +ATOM 13348 CG2 VAL B 312 144.167 222.001 203.289 1.00 28.85 C +ATOM 13349 H VAL B 312 141.361 222.381 203.943 1.00 40.83 H +ATOM 13350 HA VAL B 312 142.352 222.646 201.536 1.00 34.56 H +ATOM 13351 HB VAL B 312 142.724 220.568 203.427 1.00 42.29 H +ATOM 13352 HG11 VAL B 312 144.394 219.645 202.077 1.00 43.91 H +ATOM 13353 HG12 VAL B 312 142.993 219.577 201.331 1.00 43.91 H +ATOM 13354 HG13 VAL B 312 144.051 220.694 200.934 1.00 43.91 H +ATOM 13355 HG21 VAL B 312 144.869 221.444 203.661 1.00 34.61 H +ATOM 13356 HG22 VAL B 312 144.528 222.560 202.583 1.00 34.61 H +ATOM 13357 HG23 VAL B 312 143.780 222.554 203.984 1.00 34.61 H +ATOM 13358 N CYS B 313 140.005 220.536 201.844 1.00 33.37 N +ATOM 13359 CA CYS B 313 139.016 219.768 201.096 1.00 40.12 C +ATOM 13360 C CYS B 313 138.327 220.640 200.053 1.00 37.07 C +ATOM 13361 O CYS B 313 138.138 220.220 198.912 1.00 33.42 O +ATOM 13362 CB CYS B 313 137.980 219.162 202.039 1.00 38.34 C +ATOM 13363 SG CYS B 313 138.552 217.703 202.909 1.00 40.46 S +ATOM 13364 H CYS B 313 139.854 220.576 202.690 1.00 40.05 H +ATOM 13365 HA CYS B 313 139.463 219.042 200.634 1.00 48.14 H +ATOM 13366 HB2 CYS B 313 137.736 219.826 202.703 1.00 46.00 H +ATOM 13367 HB3 CYS B 313 137.198 218.911 201.523 1.00 46.00 H +ATOM 13368 HG CYS B 313 137.673 217.303 203.621 1.00 48.55 H +ATOM 13369 N ASP B 314 137.951 221.854 200.450 1.00 33.94 N +ATOM 13370 CA ASP B 314 137.342 222.807 199.528 1.00 31.60 C +ATOM 13371 C ASP B 314 138.280 223.103 198.365 1.00 34.17 C +ATOM 13372 O ASP B 314 137.860 223.109 197.209 1.00 39.65 O +ATOM 13373 CB ASP B 314 136.979 224.109 200.247 1.00 33.54 C +ATOM 13374 CG ASP B 314 135.793 223.957 201.179 1.00 35.76 C +ATOM 13375 OD1 ASP B 314 134.948 223.070 200.938 1.00 39.22 O +ATOM 13376 OD2 ASP B 314 135.704 224.734 202.151 1.00 36.61 O +ATOM 13377 H ASP B 314 138.039 222.150 201.252 1.00 40.72 H +ATOM 13378 HA ASP B 314 136.527 222.423 199.169 1.00 37.92 H +ATOM 13379 HB2 ASP B 314 137.739 224.401 200.775 1.00 40.25 H +ATOM 13380 HB3 ASP B 314 136.756 224.783 199.586 1.00 40.25 H +ATOM 13381 N VAL B 315 139.548 223.349 198.676 1.00 32.59 N +ATOM 13382 CA VAL B 315 140.546 223.626 197.653 1.00 31.25 C +ATOM 13383 C VAL B 315 140.652 222.468 196.666 1.00 39.09 C +ATOM 13384 O VAL B 315 140.599 222.670 195.455 1.00 44.93 O +ATOM 13385 CB VAL B 315 141.931 223.893 198.276 1.00 32.46 C +ATOM 13386 CG1 VAL B 315 143.001 224.048 197.194 1.00 35.01 C +ATOM 13387 CG2 VAL B 315 141.886 225.133 199.153 1.00 33.83 C +ATOM 13388 H VAL B 315 139.856 223.360 199.479 1.00 39.11 H +ATOM 13389 HA VAL B 315 140.281 224.418 197.160 1.00 37.50 H +ATOM 13390 HB VAL B 315 142.177 223.139 198.835 1.00 38.96 H +ATOM 13391 HG11 VAL B 315 143.857 224.214 197.618 1.00 42.01 H +ATOM 13392 HG12 VAL B 315 143.042 223.231 196.672 1.00 42.01 H +ATOM 13393 HG13 VAL B 315 142.764 224.794 196.621 1.00 42.01 H +ATOM 13394 HG21 VAL B 315 142.766 225.282 199.534 1.00 40.60 H +ATOM 13395 HG22 VAL B 315 141.627 225.894 198.610 1.00 40.60 H +ATOM 13396 HG23 VAL B 315 141.238 224.995 199.861 1.00 40.60 H +ATOM 13397 N LEU B 316 140.797 221.257 197.191 1.00 40.12 N +ATOM 13398 CA LEU B 316 141.027 220.086 196.353 1.00 38.34 C +ATOM 13399 C LEU B 316 139.825 219.763 195.471 1.00 39.15 C +ATOM 13400 O LEU B 316 139.983 219.257 194.360 1.00 31.97 O +ATOM 13401 CB LEU B 316 141.377 218.879 197.223 1.00 37.49 C +ATOM 13402 CG LEU B 316 142.802 218.867 197.783 1.00 31.83 C +ATOM 13403 CD1 LEU B 316 142.948 217.786 198.839 1.00 35.89 C +ATOM 13404 CD2 LEU B 316 143.815 218.660 196.669 1.00 31.65 C +ATOM 13405 H LEU B 316 140.766 221.086 198.033 1.00 48.15 H +ATOM 13406 HA LEU B 316 141.783 220.262 195.771 1.00 46.00 H +ATOM 13407 HB2 LEU B 316 140.768 218.857 197.978 1.00 44.99 H +ATOM 13408 HB3 LEU B 316 141.266 218.075 196.693 1.00 44.99 H +ATOM 13409 HG LEU B 316 142.986 219.722 198.202 1.00 38.19 H +ATOM 13410 HD11 LEU B 316 143.857 217.797 199.178 1.00 43.07 H +ATOM 13411 HD12 LEU B 316 142.323 217.963 199.560 1.00 43.07 H +ATOM 13412 HD13 LEU B 316 142.755 216.924 198.437 1.00 43.07 H +ATOM 13413 HD21 LEU B 316 144.707 218.656 197.051 1.00 37.97 H +ATOM 13414 HD22 LEU B 316 143.637 217.811 196.235 1.00 37.97 H +ATOM 13415 HD23 LEU B 316 143.732 219.384 196.029 1.00 37.97 H +ATOM 13416 N LYS B 317 138.628 220.055 195.965 1.00 43.93 N +ATOM 13417 CA LYS B 317 137.412 219.796 195.204 1.00 51.88 C +ATOM 13418 C LYS B 317 137.355 220.688 193.968 1.00 53.90 C +ATOM 13419 O LYS B 317 136.950 220.249 192.892 1.00 50.95 O +ATOM 13420 CB LYS B 317 136.176 220.018 196.072 1.00 50.29 C +ATOM 13421 CG LYS B 317 134.882 219.640 195.382 1.00 58.62 C +ATOM 13422 CD LYS B 317 133.718 219.603 196.358 1.00 65.54 C +ATOM 13423 CE LYS B 317 132.672 218.588 195.935 1.00 69.74 C +ATOM 13424 NZ LYS B 317 133.210 217.198 195.929 1.00 72.04 N +ATOM 13425 H LYS B 317 138.492 220.403 196.739 1.00 52.72 H +ATOM 13426 HA LYS B 317 137.412 218.872 194.909 1.00 62.25 H +ATOM 13427 HB2 LYS B 317 136.255 219.479 196.874 1.00 60.35 H +ATOM 13428 HB3 LYS B 317 136.123 220.957 196.309 1.00 60.35 H +ATOM 13429 HG2 LYS B 317 134.682 220.295 194.695 1.00 70.34 H +ATOM 13430 HG3 LYS B 317 134.976 218.758 194.987 1.00 70.34 H +ATOM 13431 HD2 LYS B 317 134.045 219.355 197.237 1.00 78.65 H +ATOM 13432 HD3 LYS B 317 133.299 220.477 196.389 1.00 78.65 H +ATOM 13433 HE2 LYS B 317 131.928 218.621 196.556 1.00 83.69 H +ATOM 13434 HE3 LYS B 317 132.369 218.799 195.038 1.00 83.69 H +ATOM 13435 HZ1 LYS B 317 132.575 216.627 195.677 1.00 86.45 H +ATOM 13436 HZ2 LYS B 317 133.893 217.139 195.361 1.00 86.45 H +ATOM 13437 HZ3 LYS B 317 133.491 216.977 196.744 1.00 86.45 H +ATOM 13438 N GLN B 318 137.757 221.942 194.135 1.00 50.61 N +ATOM 13439 CA GLN B 318 137.864 222.870 193.020 1.00 53.54 C +ATOM 13440 C GLN B 318 138.861 222.340 191.996 1.00 53.04 C +ATOM 13441 O GLN B 318 138.671 222.488 190.790 1.00 69.97 O +ATOM 13442 CB GLN B 318 138.298 224.252 193.513 1.00 61.72 C +ATOM 13443 CG GLN B 318 138.398 225.315 192.419 1.00 81.23 C +ATOM 13444 CD GLN B 318 139.446 226.371 192.717 1.00 89.93 C +ATOM 13445 OE1 GLN B 318 139.904 226.511 193.851 1.00 89.51 O +ATOM 13446 NE2 GLN B 318 139.836 227.118 191.692 1.00 94.49 N +ATOM 13447 H GLN B 318 137.977 222.282 194.893 1.00 60.73 H +ATOM 13448 HA GLN B 318 137.000 222.956 192.589 1.00 64.25 H +ATOM 13449 HB2 GLN B 318 137.654 224.564 194.168 1.00 74.06 H +ATOM 13450 HB3 GLN B 318 139.172 224.174 193.927 1.00 74.06 H +ATOM 13451 HG2 GLN B 318 138.634 224.885 191.582 1.00 97.48 H +ATOM 13452 HG3 GLN B 318 137.540 225.760 192.333 1.00 97.48 H +ATOM 13453 HE21 GLN B 318 139.497 226.989 190.912 1.00113.39 H +ATOM 13454 HE22 GLN B 318 140.428 227.731 191.807 1.00113.39 H +ATOM 13455 N GLU B 319 139.927 221.721 192.490 1.00 49.46 N +ATOM 13456 CA GLU B 319 140.970 221.182 191.625 1.00 50.41 C +ATOM 13457 C GLU B 319 140.531 219.875 190.986 1.00 44.30 C +ATOM 13458 O GLU B 319 140.906 219.572 189.856 1.00 49.83 O +ATOM 13459 CB GLU B 319 142.259 220.964 192.417 1.00 48.27 C +ATOM 13460 CG GLU B 319 142.888 222.245 192.923 1.00 53.81 C +ATOM 13461 CD GLU B 319 143.260 223.184 191.796 1.00 58.48 C +ATOM 13462 OE1 GLU B 319 144.133 222.815 190.983 1.00 45.29 O +ATOM 13463 OE2 GLU B 319 142.672 224.284 191.716 1.00 63.95 O +ATOM 13464 H GLU B 319 140.071 221.599 193.329 1.00 59.35 H +ATOM 13465 HA GLU B 319 141.154 221.818 190.916 1.00 60.49 H +ATOM 13466 HB2 GLU B 319 142.064 220.406 193.186 1.00 57.92 H +ATOM 13467 HB3 GLU B 319 142.906 220.522 191.846 1.00 57.92 H +ATOM 13468 HG2 GLU B 319 142.257 222.702 193.501 1.00 64.57 H +ATOM 13469 HG3 GLU B 319 143.696 222.030 193.416 1.00 64.57 H +ATOM 13470 N HIS B 320 139.731 219.107 191.716 1.00 46.36 N +ATOM 13471 CA HIS B 320 139.330 217.776 191.277 1.00 54.72 C +ATOM 13472 C HIS B 320 137.844 217.539 191.502 1.00 53.77 C +ATOM 13473 O HIS B 320 137.459 216.810 192.415 1.00 48.21 O +ATOM 13474 CB HIS B 320 140.148 216.712 192.007 1.00 44.34 C +ATOM 13475 CG HIS B 320 141.622 216.827 191.776 1.00 41.69 C +ATOM 13476 ND1 HIS B 320 142.239 216.328 190.651 1.00 38.45 N +ATOM 13477 CD2 HIS B 320 142.600 217.389 192.524 1.00 38.41 C +ATOM 13478 CE1 HIS B 320 143.534 216.574 190.716 1.00 40.26 C +ATOM 13479 NE2 HIS B 320 143.780 217.216 191.844 1.00 46.42 N +ATOM 13480 H HIS B 320 139.404 219.335 192.478 1.00 55.63 H +ATOM 13481 HA HIS B 320 139.507 217.691 190.327 1.00 65.66 H +ATOM 13482 HB2 HIS B 320 139.989 216.795 192.960 1.00 53.20 H +ATOM 13483 HB3 HIS B 320 139.867 215.836 191.701 1.00 53.20 H +ATOM 13484 HD1 HIS B 320 141.842 215.919 190.006 1.00 46.14 H +ATOM 13485 HD2 HIS B 320 142.493 217.810 193.347 1.00 46.09 H +ATOM 13486 HE1 HIS B 320 144.167 216.336 190.077 1.00 48.31 H +ATOM 13487 HE2 HIS B 320 144.553 217.484 192.108 1.00 55.71 H +ATOM 13488 N PRO B 321 136.999 218.151 190.660 1.00 55.45 N +ATOM 13489 CA PRO B 321 135.551 217.937 190.767 1.00 53.93 C +ATOM 13490 C PRO B 321 135.154 216.479 190.553 1.00 47.46 C +ATOM 13491 O PRO B 321 134.019 216.112 190.847 1.00 52.42 O +ATOM 13492 CB PRO B 321 134.977 218.834 189.657 1.00 49.04 C +ATOM 13493 CG PRO B 321 136.112 219.091 188.728 1.00 52.23 C +ATOM 13494 CD PRO B 321 137.342 219.085 189.574 1.00 58.64 C +ATOM 13495 HA PRO B 321 135.226 218.240 191.629 1.00 64.72 H +ATOM 13496 HB2 PRO B 321 134.260 218.368 189.201 1.00 58.85 H +ATOM 13497 HB3 PRO B 321 134.656 219.664 190.043 1.00 58.85 H +ATOM 13498 HG2 PRO B 321 136.153 218.386 188.062 1.00 62.68 H +ATOM 13499 HG3 PRO B 321 135.995 219.955 188.303 1.00 62.68 H +ATOM 13500 HD2 PRO B 321 138.100 218.753 189.069 1.00 70.37 H +ATOM 13501 HD3 PRO B 321 137.512 219.971 189.931 1.00 70.37 H +ATOM 13502 N GLU B 322 136.085 215.665 190.060 1.00 43.84 N +ATOM 13503 CA GLU B 322 135.817 214.261 189.762 1.00 44.18 C +ATOM 13504 C GLU B 322 136.170 213.332 190.922 1.00 48.88 C +ATOM 13505 O GLU B 322 135.893 212.135 190.868 1.00 47.69 O +ATOM 13506 CB GLU B 322 136.584 213.829 188.502 1.00 46.06 C +ATOM 13507 CG GLU B 322 138.096 213.619 188.680 1.00 41.34 C +ATOM 13508 CD GLU B 322 138.872 214.913 188.842 1.00 45.01 C +ATOM 13509 OE1 GLU B 322 138.250 215.995 188.862 1.00 50.69 O +ATOM 13510 OE2 GLU B 322 140.113 214.849 188.949 1.00 46.20 O +ATOM 13511 H GLU B 322 136.892 215.907 189.886 1.00 52.61 H +ATOM 13512 HA GLU B 322 134.869 214.158 189.580 1.00 53.02 H +ATOM 13513 HB2 GLU B 322 136.210 212.991 188.189 1.00 55.28 H +ATOM 13514 HB3 GLU B 322 136.465 214.511 187.822 1.00 55.28 H +ATOM 13515 HG2 GLU B 322 138.246 213.081 189.473 1.00 49.61 H +ATOM 13516 HG3 GLU B 322 138.443 213.160 187.900 1.00 49.61 H +ATOM 13517 N TRP B 323 136.786 213.878 191.968 1.00 55.25 N +ATOM 13518 CA TRP B 323 137.228 213.071 193.105 1.00 45.21 C +ATOM 13519 C TRP B 323 136.097 212.738 194.069 1.00 46.99 C +ATOM 13520 O TRP B 323 135.223 213.562 194.331 1.00 36.24 O +ATOM 13521 CB TRP B 323 138.339 213.789 193.874 1.00 37.02 C +ATOM 13522 CG TRP B 323 139.710 213.600 193.309 1.00 32.97 C +ATOM 13523 CD1 TRP B 323 140.040 212.985 192.137 1.00 37.62 C +ATOM 13524 CD2 TRP B 323 140.941 214.027 193.899 1.00 34.28 C +ATOM 13525 NE1 TRP B 323 141.401 213.004 191.960 1.00 34.66 N +ATOM 13526 CE2 TRP B 323 141.977 213.639 193.029 1.00 38.24 C +ATOM 13527 CE3 TRP B 323 141.268 214.700 195.078 1.00 30.70 C +ATOM 13528 CZ2 TRP B 323 143.315 213.902 193.300 1.00 31.06 C +ATOM 13529 CZ3 TRP B 323 142.593 214.959 195.345 1.00 27.20 C +ATOM 13530 CH2 TRP B 323 143.602 214.561 194.460 1.00 28.13 C +ATOM 13531 H TRP B 323 136.960 214.717 192.045 1.00 66.30 H +ATOM 13532 HA TRP B 323 137.590 212.235 192.772 1.00 54.26 H +ATOM 13533 HB2 TRP B 323 138.151 214.741 193.875 1.00 44.42 H +ATOM 13534 HB3 TRP B 323 138.349 213.458 194.786 1.00 44.42 H +ATOM 13535 HD1 TRP B 323 139.431 212.608 191.544 1.00 45.15 H +ATOM 13536 HE1 TRP B 323 141.822 212.673 191.288 1.00 41.59 H +ATOM 13537 HE3 TRP B 323 140.604 214.968 195.672 1.00 36.84 H +ATOM 13538 HZ2 TRP B 323 143.988 213.639 192.715 1.00 37.27 H +ATOM 13539 HZ3 TRP B 323 142.822 215.407 196.127 1.00 32.64 H +ATOM 13540 HH2 TRP B 323 144.489 214.751 194.668 1.00 33.75 H +ATOM 13541 N GLY B 324 136.140 211.523 194.604 1.00 39.78 N +ATOM 13542 CA GLY B 324 135.196 211.098 195.617 1.00 36.85 C +ATOM 13543 C GLY B 324 135.614 211.559 196.999 1.00 35.16 C +ATOM 13544 O GLY B 324 136.700 212.111 197.179 1.00 31.79 O +ATOM 13545 H GLY B 324 136.716 210.921 194.391 1.00 47.74 H +ATOM 13546 HA2 GLY B 324 134.320 211.465 195.419 1.00 44.22 H +ATOM 13547 HA3 GLY B 324 135.134 210.130 195.618 1.00 44.22 H +ATOM 13548 N ASP B 325 134.744 211.326 197.975 1.00 31.43 N +ATOM 13549 CA ASP B 325 135.001 211.695 199.362 1.00 35.34 C +ATOM 13550 C ASP B 325 136.292 211.077 199.894 1.00 38.18 C +ATOM 13551 O ASP B 325 137.038 211.718 200.632 1.00 37.10 O +ATOM 13552 CB ASP B 325 133.813 211.273 200.234 1.00 29.43 C +ATOM 13553 CG ASP B 325 134.144 211.253 201.713 1.00 36.58 C +ATOM 13554 OD1 ASP B 325 134.156 212.332 202.336 1.00 33.06 O +ATOM 13555 OD2 ASP B 325 134.376 210.154 202.257 1.00 35.83 O +ATOM 13556 H ASP B 325 133.981 210.947 197.856 1.00 37.71 H +ATOM 13557 HA ASP B 325 135.086 212.660 199.420 1.00 42.40 H +ATOM 13558 HB2 ASP B 325 133.084 211.898 200.099 1.00 35.32 H +ATOM 13559 HB3 ASP B 325 133.536 210.379 199.978 1.00 35.32 H +ATOM 13560 N GLU B 326 136.558 209.833 199.513 1.00 35.27 N +ATOM 13561 CA GLU B 326 137.704 209.106 200.048 1.00 38.88 C +ATOM 13562 C GLU B 326 139.032 209.756 199.662 1.00 37.10 C +ATOM 13563 O GLU B 326 139.867 210.022 200.526 1.00 34.01 O +ATOM 13564 CB GLU B 326 137.678 207.650 199.574 1.00 36.39 C +ATOM 13565 CG GLU B 326 138.804 206.783 200.131 1.00 36.25 C +ATOM 13566 CD GLU B 326 138.733 206.610 201.635 1.00 29.66 C +ATOM 13567 OE1 GLU B 326 137.693 206.954 202.233 1.00 39.01 O +ATOM 13568 OE2 GLU B 326 139.720 206.126 202.223 1.00 34.72 O +ATOM 13569 H GLU B 326 136.091 209.387 198.946 1.00 42.32 H +ATOM 13570 HA GLU B 326 137.646 209.103 201.016 1.00 46.66 H +ATOM 13571 HB2 GLU B 326 136.837 207.250 199.845 1.00 43.67 H +ATOM 13572 HB3 GLU B 326 137.749 207.638 198.606 1.00 43.67 H +ATOM 13573 HG2 GLU B 326 138.753 205.902 199.726 1.00 43.50 H +ATOM 13574 HG3 GLU B 326 139.655 207.196 199.918 1.00 43.50 H +ATOM 13575 N GLN B 327 139.233 210.008 198.372 1.00 31.22 N +ATOM 13576 CA GLN B 327 140.497 210.565 197.904 1.00 33.86 C +ATOM 13577 C GLN B 327 140.681 212.000 198.391 1.00 33.07 C +ATOM 13578 O GLN B 327 141.803 212.436 198.637 1.00 34.77 O +ATOM 13579 CB GLN B 327 140.588 210.512 196.378 1.00 33.19 C +ATOM 13580 CG GLN B 327 141.944 210.938 195.840 1.00 32.61 C +ATOM 13581 CD GLN B 327 142.162 210.548 194.390 1.00 33.21 C +ATOM 13582 OE1 GLN B 327 141.223 210.185 193.681 1.00 36.73 O +ATOM 13583 NE2 GLN B 327 143.410 210.617 193.945 1.00 31.87 N +ATOM 13584 H GLN B 327 138.655 209.867 197.750 1.00 37.47 H +ATOM 13585 HA GLN B 327 141.225 210.034 198.264 1.00 40.64 H +ATOM 13586 HB2 GLN B 327 140.424 209.602 196.085 1.00 39.82 H +ATOM 13587 HB3 GLN B 327 139.918 211.105 196.002 1.00 39.82 H +ATOM 13588 HG2 GLN B 327 142.018 211.903 195.904 1.00 39.13 H +ATOM 13589 HG3 GLN B 327 142.639 210.518 196.370 1.00 39.13 H +ATOM 13590 HE21 GLN B 327 144.041 210.872 194.470 1.00 38.25 H +ATOM 13591 HE22 GLN B 327 143.588 210.406 193.130 1.00 38.25 H +ATOM 13592 N LEU B 328 139.578 212.726 198.532 1.00 38.05 N +ATOM 13593 CA LEU B 328 139.624 214.084 199.060 1.00 35.33 C +ATOM 13594 C LEU B 328 140.103 214.085 200.509 1.00 34.72 C +ATOM 13595 O LEU B 328 140.939 214.903 200.893 1.00 30.74 O +ATOM 13596 CB LEU B 328 138.251 214.747 198.957 1.00 32.57 C +ATOM 13597 CG LEU B 328 137.799 215.121 197.544 1.00 42.98 C +ATOM 13598 CD1 LEU B 328 136.291 215.292 197.495 1.00 45.72 C +ATOM 13599 CD2 LEU B 328 138.498 216.393 197.076 1.00 36.28 C +ATOM 13600 H LEU B 328 138.788 212.454 198.328 1.00 45.66 H +ATOM 13601 HA LEU B 328 140.250 214.607 198.535 1.00 42.40 H +ATOM 13602 HB2 LEU B 328 137.589 214.138 199.322 1.00 39.09 H +ATOM 13603 HB3 LEU B 328 138.264 215.562 199.483 1.00 39.09 H +ATOM 13604 HG LEU B 328 138.040 214.405 196.935 1.00 51.57 H +ATOM 13605 HD11 LEU B 328 136.030 215.528 196.591 1.00 54.87 H +ATOM 13606 HD12 LEU B 328 135.871 214.457 197.754 1.00 54.87 H +ATOM 13607 HD13 LEU B 328 136.034 215.997 198.109 1.00 54.87 H +ATOM 13608 HD21 LEU B 328 138.195 216.608 196.180 1.00 43.54 H +ATOM 13609 HD22 LEU B 328 138.275 217.116 197.683 1.00 43.54 H +ATOM 13610 HD23 LEU B 328 139.456 216.245 197.075 1.00 43.54 H +ATOM 13611 N PHE B 329 139.572 213.167 201.312 1.00 30.57 N +ATOM 13612 CA PHE B 329 139.996 213.044 202.701 1.00 32.83 C +ATOM 13613 C PHE B 329 141.471 212.674 202.807 1.00 30.87 C +ATOM 13614 O PHE B 329 142.244 213.364 203.470 1.00 27.26 O +ATOM 13615 CB PHE B 329 139.163 211.996 203.444 1.00 32.18 C +ATOM 13616 CG PHE B 329 139.689 211.679 204.814 1.00 30.44 C +ATOM 13617 CD1 PHE B 329 139.427 212.520 205.881 1.00 27.22 C +ATOM 13618 CD2 PHE B 329 140.462 210.552 205.031 1.00 27.00 C +ATOM 13619 CE1 PHE B 329 139.919 212.238 207.140 1.00 26.51 C +ATOM 13620 CE2 PHE B 329 140.957 210.266 206.288 1.00 27.41 C +ATOM 13621 CZ PHE B 329 140.684 211.111 207.345 1.00 22.87 C +ATOM 13622 H PHE B 329 138.967 212.604 201.076 1.00 36.69 H +ATOM 13623 HA PHE B 329 139.868 213.897 203.146 1.00 39.39 H +ATOM 13624 HB2 PHE B 329 138.256 212.327 203.542 1.00 38.62 H +ATOM 13625 HB3 PHE B 329 139.160 211.175 202.928 1.00 38.62 H +ATOM 13626 HD1 PHE B 329 138.912 213.283 205.749 1.00 32.67 H +ATOM 13627 HD2 PHE B 329 140.650 209.980 204.322 1.00 32.40 H +ATOM 13628 HE1 PHE B 329 139.733 212.809 207.851 1.00 31.81 H +ATOM 13629 HE2 PHE B 329 141.473 209.504 206.423 1.00 32.89 H +ATOM 13630 HZ PHE B 329 141.014 210.919 208.193 1.00 27.44 H +ATOM 13631 N GLN B 330 141.849 211.578 202.157 1.00 31.33 N +ATOM 13632 CA GLN B 330 143.211 211.063 202.238 1.00 34.58 C +ATOM 13633 C GLN B 330 144.230 212.083 201.740 1.00 30.31 C +ATOM 13634 O GLN B 330 145.266 212.287 202.366 1.00 27.46 O +ATOM 13635 CB GLN B 330 143.345 209.769 201.431 1.00 29.95 C +ATOM 13636 CG GLN B 330 142.464 208.626 201.914 1.00 20.37 C +ATOM 13637 CD GLN B 330 142.914 208.036 203.233 1.00 26.20 C +ATOM 13638 OE1 GLN B 330 144.013 208.309 203.712 1.00 31.41 O +ATOM 13639 NE2 GLN B 330 142.061 207.216 203.828 1.00 32.90 N +ATOM 13640 H GLN B 330 141.328 211.110 201.658 1.00 37.60 H +ATOM 13641 HA GLN B 330 143.417 210.861 203.164 1.00 41.50 H +ATOM 13642 HB2 GLN B 330 143.108 209.953 200.509 1.00 35.94 H +ATOM 13643 HB3 GLN B 330 144.266 209.469 201.478 1.00 35.94 H +ATOM 13644 HG2 GLN B 330 141.558 208.955 202.028 1.00 24.44 H +ATOM 13645 HG3 GLN B 330 142.477 207.918 201.251 1.00 24.44 H +ATOM 13646 HE21 GLN B 330 141.302 207.046 203.462 1.00 39.48 H +ATOM 13647 HE22 GLN B 330 142.267 206.853 204.580 1.00 39.48 H +ATOM 13648 N THR B 331 143.934 212.724 200.616 1.00 34.78 N +ATOM 13649 CA THR B 331 144.866 213.678 200.029 1.00 31.87 C +ATOM 13650 C THR B 331 145.018 214.900 200.931 1.00 29.88 C +ATOM 13651 O THR B 331 146.102 215.469 201.036 1.00 32.05 O +ATOM 13652 CB THR B 331 144.415 214.115 198.624 1.00 29.76 C +ATOM 13653 OG1 THR B 331 144.270 212.960 197.790 1.00 27.35 O +ATOM 13654 CG2 THR B 331 145.435 215.058 197.992 1.00 31.88 C +ATOM 13655 H THR B 331 143.202 212.625 200.174 1.00 41.74 H +ATOM 13656 HA THR B 331 145.736 213.258 199.946 1.00 38.25 H +ATOM 13657 HB THR B 331 143.565 214.578 198.686 1.00 35.72 H +ATOM 13658 HG1 THR B 331 143.696 212.441 198.115 1.00 32.82 H +ATOM 13659 HG21 THR B 331 145.137 215.324 197.108 1.00 38.25 H +ATOM 13660 HG22 THR B 331 145.538 215.850 198.542 1.00 38.25 H +ATOM 13661 HG23 THR B 331 146.293 214.613 197.915 1.00 38.25 H +ATOM 13662 N SER B 332 143.932 215.290 201.591 1.00 26.42 N +ATOM 13663 CA SER B 332 143.970 216.407 202.527 1.00 29.79 C +ATOM 13664 C SER B 332 144.875 216.089 203.708 1.00 29.48 C +ATOM 13665 O SER B 332 145.621 216.945 204.176 1.00 29.81 O +ATOM 13666 CB SER B 332 142.564 216.748 203.028 1.00 34.67 C +ATOM 13667 OG SER B 332 141.826 217.452 202.047 1.00 35.81 O +ATOM 13668 H SER B 332 143.158 214.923 201.513 1.00 31.70 H +ATOM 13669 HA SER B 332 144.327 217.188 202.076 1.00 35.75 H +ATOM 13670 HB2 SER B 332 142.098 215.924 203.241 1.00 41.60 H +ATOM 13671 HB3 SER B 332 142.639 217.300 203.822 1.00 41.60 H +ATOM 13672 HG SER B 332 141.058 217.631 202.338 1.00 42.98 H +ATOM 13673 N ARG B 333 144.797 214.853 204.189 1.00 35.68 N +ATOM 13674 CA ARG B 333 145.607 214.418 205.317 1.00 29.08 C +ATOM 13675 C ARG B 333 147.094 214.476 204.977 1.00 26.90 C +ATOM 13676 O ARG B 333 147.906 214.920 205.788 1.00 20.88 O +ATOM 13677 CB ARG B 333 145.213 213.004 205.743 1.00 37.03 C +ATOM 13678 CG ARG B 333 146.099 212.409 206.831 1.00 38.87 C +ATOM 13679 CD ARG B 333 145.522 211.115 207.383 1.00 31.01 C +ATOM 13680 NE ARG B 333 146.159 210.735 208.640 1.00 29.33 N +ATOM 13681 CZ ARG B 333 145.768 209.723 209.407 1.00 26.84 C +ATOM 13682 NH1 ARG B 333 144.735 208.969 209.053 1.00 27.10 N +ATOM 13683 NH2 ARG B 333 146.414 209.465 210.534 1.00 29.64 N +ATOM 13684 H ARG B 333 144.278 214.243 203.876 1.00 42.82 H +ATOM 13685 HA ARG B 333 145.448 215.012 206.067 1.00 34.90 H +ATOM 13686 HB2 ARG B 333 144.304 213.023 206.081 1.00 44.43 H +ATOM 13687 HB3 ARG B 333 145.263 212.421 204.970 1.00 44.43 H +ATOM 13688 HG2 ARG B 333 146.974 212.216 206.460 1.00 46.64 H +ATOM 13689 HG3 ARG B 333 146.177 213.042 207.562 1.00 46.64 H +ATOM 13690 HD2 ARG B 333 144.573 211.233 207.547 1.00 37.21 H +ATOM 13691 HD3 ARG B 333 145.666 210.402 206.742 1.00 37.21 H +ATOM 13692 HE ARG B 333 146.834 211.199 208.902 1.00 35.20 H +ATOM 13693 HH11 ARG B 333 144.312 209.134 208.323 1.00 32.51 H +ATOM 13694 HH12 ARG B 333 144.488 208.315 209.554 1.00 32.51 H +ATOM 13695 HH21 ARG B 333 147.084 209.950 210.766 1.00 35.56 H +ATOM 13696 HH22 ARG B 333 146.165 208.809 211.031 1.00 35.56 H +ATOM 13697 N LEU B 334 147.449 214.031 203.777 1.00 22.37 N +ATOM 13698 CA LEU B 334 148.836 214.072 203.337 1.00 24.98 C +ATOM 13699 C LEU B 334 149.331 215.512 203.251 1.00 33.25 C +ATOM 13700 O LEU B 334 150.492 215.796 203.545 1.00 34.89 O +ATOM 13701 CB LEU B 334 148.997 213.374 201.985 1.00 26.60 C +ATOM 13702 CG LEU B 334 148.801 211.853 201.951 1.00 28.96 C +ATOM 13703 CD1 LEU B 334 149.087 211.322 200.557 1.00 29.45 C +ATOM 13704 CD2 LEU B 334 149.681 211.150 202.972 1.00 28.78 C +ATOM 13705 H LEU B 334 146.904 213.700 203.199 1.00 26.85 H +ATOM 13706 HA LEU B 334 149.387 213.603 203.984 1.00 29.98 H +ATOM 13707 HB2 LEU B 334 148.353 213.758 201.370 1.00 31.92 H +ATOM 13708 HB3 LEU B 334 149.893 213.552 201.659 1.00 31.92 H +ATOM 13709 HG LEU B 334 147.876 211.650 202.163 1.00 34.75 H +ATOM 13710 HD11 LEU B 334 148.958 210.361 200.553 1.00 35.35 H +ATOM 13711 HD12 LEU B 334 148.478 211.741 199.928 1.00 35.35 H +ATOM 13712 HD13 LEU B 334 150.004 211.535 200.320 1.00 35.35 H +ATOM 13713 HD21 LEU B 334 149.526 210.194 202.917 1.00 34.54 H +ATOM 13714 HD22 LEU B 334 150.610 211.347 202.776 1.00 34.54 H +ATOM 13715 HD23 LEU B 334 149.454 211.472 203.858 1.00 34.54 H +ATOM 13716 N ILE B 335 148.448 216.423 202.858 1.00 35.96 N +ATOM 13717 CA ILE B 335 148.807 217.829 202.773 1.00 32.49 C +ATOM 13718 C ILE B 335 149.013 218.410 204.168 1.00 32.54 C +ATOM 13719 O ILE B 335 149.987 219.122 204.410 1.00 29.95 O +ATOM 13720 CB ILE B 335 147.735 218.635 202.006 1.00 35.63 C +ATOM 13721 CG1 ILE B 335 147.868 218.364 200.505 1.00 37.28 C +ATOM 13722 CG2 ILE B 335 147.874 220.135 202.270 1.00 26.74 C +ATOM 13723 CD1 ILE B 335 146.698 218.843 199.679 1.00 35.33 C +ATOM 13724 H ILE B 335 147.635 216.251 202.636 1.00 43.15 H +ATOM 13725 HA ILE B 335 149.644 217.910 202.289 1.00 38.98 H +ATOM 13726 HB ILE B 335 146.857 218.346 202.299 1.00 42.76 H +ATOM 13727 HG12 ILE B 335 148.663 218.812 200.178 1.00 44.74 H +ATOM 13728 HG13 ILE B 335 147.953 217.407 200.369 1.00 44.74 H +ATOM 13729 HG21 ILE B 335 147.187 220.608 201.774 1.00 32.09 H +ATOM 13730 HG22 ILE B 335 147.769 220.299 203.220 1.00 32.09 H +ATOM 13731 HG23 ILE B 335 148.753 220.426 201.978 1.00 32.09 H +ATOM 13732 HD11 ILE B 335 146.863 218.632 198.747 1.00 42.40 H +ATOM 13733 HD12 ILE B 335 145.893 218.394 199.982 1.00 42.40 H +ATOM 13734 HD13 ILE B 335 146.605 219.802 199.791 1.00 42.40 H +ATOM 13735 N LEU B 336 148.104 218.100 205.086 1.00 27.56 N +ATOM 13736 CA LEU B 336 148.194 218.634 206.440 1.00 32.37 C +ATOM 13737 C LEU B 336 149.406 218.071 207.184 1.00 28.89 C +ATOM 13738 O LEU B 336 149.968 218.740 208.048 1.00 25.91 O +ATOM 13739 CB LEU B 336 146.911 218.348 207.224 1.00 29.61 C +ATOM 13740 CG LEU B 336 145.904 219.505 207.255 1.00 32.01 C +ATOM 13741 CD1 LEU B 336 145.288 219.731 205.884 1.00 28.30 C +ATOM 13742 CD2 LEU B 336 144.820 219.255 208.289 1.00 25.98 C +ATOM 13743 H LEU B 336 147.429 217.585 204.952 1.00 33.08 H +ATOM 13744 HA LEU B 336 148.300 219.597 206.388 1.00 38.84 H +ATOM 13745 HB2 LEU B 336 146.468 217.584 206.824 1.00 35.53 H +ATOM 13746 HB3 LEU B 336 147.149 218.142 208.142 1.00 35.53 H +ATOM 13747 HG LEU B 336 146.371 220.317 207.506 1.00 38.41 H +ATOM 13748 HD11 LEU B 336 144.659 220.467 205.939 1.00 33.96 H +ATOM 13749 HD12 LEU B 336 145.993 219.944 205.253 1.00 33.96 H +ATOM 13750 HD13 LEU B 336 144.830 218.922 205.607 1.00 33.96 H +ATOM 13751 HD21 LEU B 336 144.201 220.002 208.284 1.00 31.18 H +ATOM 13752 HD22 LEU B 336 144.352 218.435 208.064 1.00 31.18 H +ATOM 13753 HD23 LEU B 336 145.231 219.172 209.164 1.00 31.18 H +ATOM 13754 N ILE B 337 149.812 216.850 206.844 1.00 28.50 N +ATOM 13755 CA ILE B 337 151.038 216.276 207.390 1.00 38.18 C +ATOM 13756 C ILE B 337 152.227 217.121 206.945 1.00 28.99 C +ATOM 13757 O ILE B 337 153.073 217.492 207.755 1.00 27.53 O +ATOM 13758 CB ILE B 337 151.227 214.804 206.949 1.00 31.57 C +ATOM 13759 CG1 ILE B 337 150.263 213.897 207.718 1.00 21.85 C +ATOM 13760 CG2 ILE B 337 152.672 214.332 207.181 1.00 28.89 C +ATOM 13761 CD1 ILE B 337 150.174 212.491 207.179 1.00 25.89 C +ATOM 13762 H ILE B 337 149.394 216.333 206.298 1.00 34.20 H +ATOM 13763 HA ILE B 337 150.996 216.298 208.359 1.00 45.81 H +ATOM 13764 HB ILE B 337 151.028 214.736 206.002 1.00 37.88 H +ATOM 13765 HG12 ILE B 337 150.558 213.842 208.641 1.00 26.22 H +ATOM 13766 HG13 ILE B 337 149.375 214.285 207.681 1.00 26.22 H +ATOM 13767 HG21 ILE B 337 152.752 213.409 206.894 1.00 34.67 H +ATOM 13768 HG22 ILE B 337 153.273 214.893 206.667 1.00 34.67 H +ATOM 13769 HG23 ILE B 337 152.878 214.405 208.126 1.00 34.67 H +ATOM 13770 HD11 ILE B 337 149.546 211.986 207.719 1.00 31.07 H +ATOM 13771 HD12 ILE B 337 149.867 212.524 206.259 1.00 31.07 H +ATOM 13772 HD13 ILE B 337 151.051 212.080 207.221 1.00 31.07 H +ATOM 13773 N GLY B 338 152.278 217.424 205.653 1.00 30.85 N +ATOM 13774 CA GLY B 338 153.322 218.271 205.105 1.00 29.78 C +ATOM 13775 C GLY B 338 153.333 219.656 205.722 1.00 28.71 C +ATOM 13776 O GLY B 338 154.397 220.199 206.015 1.00 28.97 O +ATOM 13777 H GLY B 338 151.710 217.148 205.069 1.00 37.02 H +ATOM 13778 HA2 GLY B 338 154.186 217.859 205.261 1.00 35.73 H +ATOM 13779 HA3 GLY B 338 153.194 218.362 204.148 1.00 35.73 H +ATOM 13780 N GLU B 339 152.150 220.231 205.911 1.00 33.85 N +ATOM 13781 CA GLU B 339 152.021 221.530 206.564 1.00 29.67 C +ATOM 13782 C GLU B 339 152.616 221.495 207.961 1.00 29.37 C +ATOM 13783 O GLU B 339 153.270 222.445 208.391 1.00 25.60 O +ATOM 13784 CB GLU B 339 150.556 221.958 206.657 1.00 34.71 C +ATOM 13785 CG GLU B 339 149.916 222.347 205.340 1.00 38.07 C +ATOM 13786 CD GLU B 339 148.504 222.857 205.525 1.00 41.67 C +ATOM 13787 OE1 GLU B 339 148.313 223.800 206.320 1.00 39.98 O +ATOM 13788 OE2 GLU B 339 147.585 222.309 204.884 1.00 38.80 O +ATOM 13789 H GLU B 339 151.400 219.886 205.669 1.00 40.61 H +ATOM 13790 HA GLU B 339 152.499 222.196 206.046 1.00 35.60 H +ATOM 13791 HB2 GLU B 339 150.042 221.222 207.025 1.00 41.65 H +ATOM 13792 HB3 GLU B 339 150.495 222.724 207.249 1.00 41.65 H +ATOM 13793 HG2 GLU B 339 150.440 223.052 204.927 1.00 45.68 H +ATOM 13794 HG3 GLU B 339 149.883 221.571 204.760 1.00 45.68 H +ATOM 13795 N THR B 340 152.371 220.397 208.666 1.00 23.46 N +ATOM 13796 CA THR B 340 152.839 220.246 210.038 1.00 29.39 C +ATOM 13797 C THR B 340 154.358 220.258 210.090 1.00 22.98 C +ATOM 13798 O THR B 340 154.955 221.038 210.827 1.00 23.36 O +ATOM 13799 CB THR B 340 152.316 218.940 210.670 1.00 31.55 C +ATOM 13800 OG1 THR B 340 150.893 218.877 210.530 1.00 28.38 O +ATOM 13801 CG2 THR B 340 152.676 218.868 212.148 1.00 27.75 C +ATOM 13802 H THR B 340 151.933 219.719 208.370 1.00 28.15 H +ATOM 13803 HA THR B 340 152.512 220.989 210.569 1.00 35.27 H +ATOM 13804 HB THR B 340 152.718 218.180 210.220 1.00 37.86 H +ATOM 13805 HG1 THR B 340 150.683 218.894 209.717 1.00 34.05 H +ATOM 13806 HG21 THR B 340 152.341 218.043 212.531 1.00 33.30 H +ATOM 13807 HG22 THR B 340 153.639 218.898 212.256 1.00 33.30 H +ATOM 13808 HG23 THR B 340 152.282 219.618 212.621 1.00 33.30 H +ATOM 13809 N ILE B 341 154.978 219.393 209.297 1.00 23.01 N +ATOM 13810 CA ILE B 341 156.431 219.287 209.259 1.00 31.69 C +ATOM 13811 C ILE B 341 157.049 220.623 208.839 1.00 28.92 C +ATOM 13812 O ILE B 341 158.043 221.066 209.414 1.00 25.47 O +ATOM 13813 CB ILE B 341 156.872 218.158 208.301 1.00 27.63 C +ATOM 13814 CG1 ILE B 341 156.355 216.810 208.819 1.00 20.27 C +ATOM 13815 CG2 ILE B 341 158.390 218.129 208.151 1.00 25.01 C +ATOM 13816 CD1 ILE B 341 156.551 215.656 207.863 1.00 26.71 C +ATOM 13817 H ILE B 341 154.575 218.850 208.766 1.00 27.62 H +ATOM 13818 HA ILE B 341 156.756 219.071 210.147 1.00 38.03 H +ATOM 13819 HB ILE B 341 156.480 218.324 207.430 1.00 33.15 H +ATOM 13820 HG12 ILE B 341 156.821 216.594 209.641 1.00 24.33 H +ATOM 13821 HG13 ILE B 341 155.404 216.889 208.994 1.00 24.33 H +ATOM 13822 HG21 ILE B 341 158.634 217.412 207.545 1.00 30.01 H +ATOM 13823 HG22 ILE B 341 158.688 218.980 207.793 1.00 30.01 H +ATOM 13824 HG23 ILE B 341 158.791 217.978 209.022 1.00 30.01 H +ATOM 13825 HD11 ILE B 341 156.198 214.848 208.268 1.00 32.05 H +ATOM 13826 HD12 ILE B 341 156.079 215.847 207.038 1.00 32.05 H +ATOM 13827 HD13 ILE B 341 157.499 215.551 207.686 1.00 32.05 H +ATOM 13828 N LYS B 342 156.443 221.258 207.843 1.00 34.52 N +ATOM 13829 CA LYS B 342 156.865 222.573 207.375 1.00 36.86 C +ATOM 13830 C LYS B 342 156.900 223.600 208.507 1.00 29.97 C +ATOM 13831 O LYS B 342 157.912 224.266 208.723 1.00 25.56 O +ATOM 13832 CB LYS B 342 155.927 223.051 206.264 1.00 33.13 C +ATOM 13833 CG LYS B 342 156.151 224.481 205.792 1.00 37.22 C +ATOM 13834 CD LYS B 342 157.454 224.623 205.038 1.00 43.81 C +ATOM 13835 CE LYS B 342 157.531 225.965 204.330 1.00 38.12 C +ATOM 13836 NZ LYS B 342 158.697 226.040 203.415 1.00 41.73 N +ATOM 13837 H LYS B 342 155.770 220.941 207.412 1.00 41.42 H +ATOM 13838 HA LYS B 342 157.759 222.505 207.004 1.00 44.23 H +ATOM 13839 HB2 LYS B 342 156.039 222.469 205.496 1.00 39.76 H +ATOM 13840 HB3 LYS B 342 155.014 222.990 206.586 1.00 39.76 H +ATOM 13841 HG2 LYS B 342 155.428 224.739 205.200 1.00 44.66 H +ATOM 13842 HG3 LYS B 342 156.181 225.070 206.562 1.00 44.66 H +ATOM 13843 HD2 LYS B 342 158.194 224.563 205.661 1.00 52.57 H +ATOM 13844 HD3 LYS B 342 157.517 223.922 204.370 1.00 52.57 H +ATOM 13845 HE2 LYS B 342 156.726 226.097 203.806 1.00 45.74 H +ATOM 13846 HE3 LYS B 342 157.620 226.670 204.991 1.00 45.74 H +ATOM 13847 HZ1 LYS B 342 158.718 226.834 203.014 1.00 50.08 H +ATOM 13848 HZ2 LYS B 342 159.451 225.926 203.873 1.00 50.08 H +ATOM 13849 HZ3 LYS B 342 158.636 225.404 202.794 1.00 50.08 H +ATOM 13850 N ILE B 343 155.784 223.725 209.216 1.00 29.18 N +ATOM 13851 CA ILE B 343 155.649 224.702 210.291 1.00 25.13 C +ATOM 13852 C ILE B 343 156.599 224.396 211.440 1.00 22.75 C +ATOM 13853 O ILE B 343 157.240 225.298 211.972 1.00 26.33 O +ATOM 13854 CB ILE B 343 154.190 224.754 210.819 1.00 30.79 C +ATOM 13855 CG1 ILE B 343 153.273 225.353 209.751 1.00 29.91 C +ATOM 13856 CG2 ILE B 343 154.092 225.578 212.109 1.00 22.66 C +ATOM 13857 CD1 ILE B 343 151.803 225.277 210.080 1.00 28.83 C +ATOM 13858 H ILE B 343 155.080 223.247 209.092 1.00 35.02 H +ATOM 13859 HA ILE B 343 155.872 225.580 209.945 1.00 30.15 H +ATOM 13860 HB ILE B 343 153.897 223.849 211.007 1.00 36.94 H +ATOM 13861 HG12 ILE B 343 153.501 226.288 209.634 1.00 35.90 H +ATOM 13862 HG13 ILE B 343 153.413 224.875 208.918 1.00 35.90 H +ATOM 13863 HG21 ILE B 343 153.169 225.587 212.408 1.00 27.19 H +ATOM 13864 HG22 ILE B 343 154.655 225.171 212.787 1.00 27.19 H +ATOM 13865 HG23 ILE B 343 154.391 226.483 211.929 1.00 27.19 H +ATOM 13866 HD11 ILE B 343 151.297 225.676 209.355 1.00 34.60 H +ATOM 13867 HD12 ILE B 343 151.552 224.347 210.187 1.00 34.60 H +ATOM 13868 HD13 ILE B 343 151.640 225.762 210.904 1.00 34.60 H +ATOM 13869 N VAL B 344 156.679 223.127 211.824 1.00 30.58 N +ATOM 13870 CA VAL B 344 157.529 222.725 212.939 1.00 27.39 C +ATOM 13871 C VAL B 344 158.990 223.084 212.669 1.00 22.81 C +ATOM 13872 O VAL B 344 159.663 223.650 213.525 1.00 19.69 O +ATOM 13873 CB VAL B 344 157.406 221.214 213.224 1.00 28.63 C +ATOM 13874 CG1 VAL B 344 158.541 220.720 214.131 1.00 23.53 C +ATOM 13875 CG2 VAL B 344 156.058 220.917 213.860 1.00 27.22 C +ATOM 13876 H VAL B 344 156.252 222.479 211.455 1.00 36.70 H +ATOM 13877 HA VAL B 344 157.248 223.202 213.735 1.00 32.87 H +ATOM 13878 HB VAL B 344 157.457 220.728 212.386 1.00 34.35 H +ATOM 13879 HG11 VAL B 344 158.429 219.770 214.287 1.00 28.23 H +ATOM 13880 HG12 VAL B 344 159.390 220.887 213.692 1.00 28.23 H +ATOM 13881 HG13 VAL B 344 158.503 221.201 214.973 1.00 28.23 H +ATOM 13882 HG21 VAL B 344 155.994 219.965 214.033 1.00 32.67 H +ATOM 13883 HG22 VAL B 344 155.986 221.410 214.692 1.00 32.67 H +ATOM 13884 HG23 VAL B 344 155.354 221.190 213.250 1.00 32.67 H +ATOM 13885 N ILE B 345 159.483 222.756 211.481 1.00 20.51 N +ATOM 13886 CA ILE B 345 160.872 223.050 211.149 1.00 29.40 C +ATOM 13887 C ILE B 345 161.114 224.558 211.045 1.00 29.27 C +ATOM 13888 O ILE B 345 162.027 225.083 211.678 1.00 35.73 O +ATOM 13889 CB ILE B 345 161.294 222.359 209.829 1.00 25.76 C +ATOM 13890 CG1 ILE B 345 161.369 220.842 210.042 1.00 27.74 C +ATOM 13891 CG2 ILE B 345 162.648 222.891 209.335 1.00 26.90 C +ATOM 13892 CD1 ILE B 345 161.707 220.043 208.798 1.00 30.54 C +ATOM 13893 H ILE B 345 159.040 222.367 210.855 1.00 24.61 H +ATOM 13894 HA ILE B 345 161.440 222.707 211.857 1.00 35.28 H +ATOM 13895 HB ILE B 345 160.623 222.544 209.154 1.00 30.91 H +ATOM 13896 HG12 ILE B 345 162.052 220.656 210.705 1.00 33.29 H +ATOM 13897 HG13 ILE B 345 160.508 220.532 210.365 1.00 33.29 H +ATOM 13898 HG21 ILE B 345 162.882 222.439 208.509 1.00 32.29 H +ATOM 13899 HG22 ILE B 345 162.574 223.846 209.181 1.00 32.29 H +ATOM 13900 HG23 ILE B 345 163.321 222.716 210.011 1.00 32.29 H +ATOM 13901 HD11 ILE B 345 161.733 219.100 209.026 1.00 36.65 H +ATOM 13902 HD12 ILE B 345 161.027 220.203 208.125 1.00 36.65 H +ATOM 13903 HD13 ILE B 345 162.574 220.327 208.467 1.00 36.65 H +ATOM 13904 N GLU B 346 160.289 225.256 210.271 1.00 28.39 N +ATOM 13905 CA GLU B 346 160.606 226.633 209.882 1.00 35.74 C +ATOM 13906 C GLU B 346 160.005 227.729 210.765 1.00 26.54 C +ATOM 13907 O GLU B 346 160.306 228.901 210.568 1.00 32.07 O +ATOM 13908 CB GLU B 346 160.180 226.861 208.435 1.00 24.21 C +ATOM 13909 CG GLU B 346 161.015 226.061 207.440 1.00 34.42 C +ATOM 13910 CD GLU B 346 160.746 226.433 205.997 1.00 36.12 C +ATOM 13911 OE1 GLU B 346 160.101 227.475 205.755 1.00 44.49 O +ATOM 13912 OE2 GLU B 346 161.182 225.678 205.103 1.00 33.09 O +ATOM 13913 H GLU B 346 159.544 224.962 209.959 1.00 34.06 H +ATOM 13914 HA GLU B 346 161.570 226.738 209.917 1.00 42.88 H +ATOM 13915 HB2 GLU B 346 159.253 226.593 208.332 1.00 29.05 H +ATOM 13916 HB3 GLU B 346 160.279 227.802 208.221 1.00 29.05 H +ATOM 13917 HG2 GLU B 346 161.955 226.222 207.619 1.00 41.31 H +ATOM 13918 HG3 GLU B 346 160.815 225.119 207.548 1.00 41.31 H +ATOM 13919 N ASP B 347 159.178 227.360 211.737 1.00 29.64 N +ATOM 13920 CA ASP B 347 158.646 228.328 212.700 1.00 31.52 C +ATOM 13921 C ASP B 347 158.924 227.899 214.133 1.00 27.70 C +ATOM 13922 O ASP B 347 159.466 228.666 214.926 1.00 33.76 O +ATOM 13923 CB ASP B 347 157.140 228.522 212.508 1.00 42.72 C +ATOM 13924 CG ASP B 347 156.806 229.282 211.241 1.00 33.16 C +ATOM 13925 OD1 ASP B 347 157.467 230.304 210.965 1.00 43.53 O +ATOM 13926 OD2 ASP B 347 155.886 228.853 210.520 1.00 42.38 O +ATOM 13927 H ASP B 347 158.906 226.554 211.864 1.00 35.57 H +ATOM 13928 HA ASP B 347 159.079 229.185 212.556 1.00 37.83 H +ATOM 13929 HB2 ASP B 347 156.713 227.653 212.457 1.00 51.27 H +ATOM 13930 HB3 ASP B 347 156.787 229.022 213.260 1.00 51.27 H +ATOM 13931 N TYR B 348 158.545 226.668 214.455 1.00 29.32 N +ATOM 13932 CA TYR B 348 158.658 226.147 215.811 1.00 28.39 C +ATOM 13933 C TYR B 348 160.115 225.914 216.222 1.00 27.93 C +ATOM 13934 O TYR B 348 160.592 226.509 217.188 1.00 25.87 O +ATOM 13935 CB TYR B 348 157.850 224.853 215.922 1.00 26.80 C +ATOM 13936 CG TYR B 348 157.890 224.173 217.265 1.00 22.57 C +ATOM 13937 CD1 TYR B 348 157.086 224.601 218.307 1.00 25.12 C +ATOM 13938 CD2 TYR B 348 158.713 223.078 217.481 1.00 28.77 C +ATOM 13939 CE1 TYR B 348 157.110 223.967 219.532 1.00 35.04 C +ATOM 13940 CE2 TYR B 348 158.745 222.439 218.702 1.00 29.95 C +ATOM 13941 CZ TYR B 348 157.942 222.888 219.724 1.00 35.64 C +ATOM 13942 OH TYR B 348 157.972 222.256 220.940 1.00 36.88 O +ATOM 13943 H TYR B 348 158.214 226.105 213.895 1.00 35.19 H +ATOM 13944 HA TYR B 348 158.275 226.791 216.427 1.00 34.07 H +ATOM 13945 HB2 TYR B 348 156.922 225.054 215.726 1.00 32.16 H +ATOM 13946 HB3 TYR B 348 158.190 224.223 215.268 1.00 32.16 H +ATOM 13947 HD1 TYR B 348 156.522 225.330 218.180 1.00 30.15 H +ATOM 13948 HD2 TYR B 348 159.256 222.773 216.792 1.00 34.53 H +ATOM 13949 HE1 TYR B 348 156.569 224.270 220.226 1.00 42.05 H +ATOM 13950 HE2 TYR B 348 159.307 221.709 218.833 1.00 35.94 H +ATOM 13951 HH TYR B 348 158.519 221.618 220.919 1.00 44.26 H +ATOM 13952 N VAL B 349 160.823 225.055 215.491 1.00 28.80 N +ATOM 13953 CA VAL B 349 162.230 224.793 215.781 1.00 30.79 C +ATOM 13954 C VAL B 349 163.062 226.043 215.528 1.00 28.88 C +ATOM 13955 O VAL B 349 164.019 226.312 216.252 1.00 22.22 O +ATOM 13956 CB VAL B 349 162.789 223.624 214.939 1.00 37.82 C +ATOM 13957 CG1 VAL B 349 164.297 223.443 215.177 1.00 27.19 C +ATOM 13958 CG2 VAL B 349 162.053 222.337 215.274 1.00 26.82 C +ATOM 13959 H VAL B 349 160.512 224.611 214.823 1.00 34.56 H +ATOM 13960 HA VAL B 349 162.320 224.557 216.718 1.00 36.95 H +ATOM 13961 HB VAL B 349 162.652 223.815 213.998 1.00 45.38 H +ATOM 13962 HG11 VAL B 349 164.615 222.704 214.636 1.00 32.63 H +ATOM 13963 HG12 VAL B 349 164.756 224.260 214.925 1.00 32.63 H +ATOM 13964 HG13 VAL B 349 164.448 223.255 216.117 1.00 32.63 H +ATOM 13965 HG21 VAL B 349 162.417 221.616 214.737 1.00 32.19 H +ATOM 13966 HG22 VAL B 349 162.173 222.141 216.216 1.00 32.19 H +ATOM 13967 HG23 VAL B 349 161.110 222.453 215.077 1.00 32.19 H +ATOM 13968 N GLN B 350 162.697 226.799 214.497 1.00 36.36 N +ATOM 13969 CA GLN B 350 163.385 228.047 214.183 1.00 26.93 C +ATOM 13970 C GLN B 350 163.389 228.968 215.391 1.00 31.56 C +ATOM 13971 O GLN B 350 164.437 229.460 215.804 1.00 35.53 O +ATOM 13972 CB GLN B 350 162.727 228.751 212.999 1.00 29.35 C +ATOM 13973 CG GLN B 350 163.413 230.048 212.589 1.00 24.56 C +ATOM 13974 CD GLN B 350 164.807 229.819 212.046 1.00 21.35 C +ATOM 13975 OE1 GLN B 350 165.002 229.033 211.121 1.00 26.66 O +ATOM 13976 NE2 GLN B 350 165.785 230.497 212.625 1.00 22.21 N +ATOM 13977 H GLN B 350 162.051 226.611 213.962 1.00 43.64 H +ATOM 13978 HA GLN B 350 164.305 227.852 213.947 1.00 32.31 H +ATOM 13979 HB2 GLN B 350 162.741 228.155 212.234 1.00 35.22 H +ATOM 13980 HB3 GLN B 350 161.809 228.963 213.232 1.00 35.22 H +ATOM 13981 HG2 GLN B 350 162.888 230.479 211.897 1.00 29.47 H +ATOM 13982 HG3 GLN B 350 163.483 230.627 213.363 1.00 29.47 H +ATOM 13983 HE21 GLN B 350 165.611 231.033 213.275 1.00 26.65 H +ATOM 13984 HE22 GLN B 350 166.595 230.401 212.352 1.00 26.65 H +ATOM 13985 N HIS B 351 162.208 229.210 215.949 1.00 28.52 N +ATOM 13986 CA HIS B 351 162.099 230.021 217.152 1.00 32.96 C +ATOM 13987 C HIS B 351 162.843 229.361 218.295 1.00 24.25 C +ATOM 13988 O HIS B 351 163.563 230.007 219.052 1.00 32.28 O +ATOM 13989 CB HIS B 351 160.641 230.224 217.557 1.00 24.71 C +ATOM 13990 CG HIS B 351 160.481 230.661 218.977 1.00 25.82 C +ATOM 13991 ND1 HIS B 351 160.672 231.965 219.379 1.00 26.04 N +ATOM 13992 CD2 HIS B 351 160.186 229.961 220.097 1.00 28.37 C +ATOM 13993 CE1 HIS B 351 160.483 232.053 220.683 1.00 28.24 C +ATOM 13994 NE2 HIS B 351 160.187 230.851 221.142 1.00 33.49 N +ATOM 13995 H HIS B 351 161.457 228.916 215.650 1.00 34.23 H +ATOM 13996 HA HIS B 351 162.496 230.892 216.990 1.00 39.56 H +ATOM 13997 HB2 HIS B 351 160.249 230.904 216.988 1.00 29.65 H +ATOM 13998 HB3 HIS B 351 160.165 229.386 217.447 1.00 29.65 H +ATOM 13999 HD2 HIS B 351 160.007 229.050 220.147 1.00 34.05 H +ATOM 14000 HE1 HIS B 351 160.547 232.829 221.191 1.00 33.88 H +ATOM 14001 HE2 HIS B 351 160.021 230.657 221.963 1.00 40.18 H +ATOM 14002 N LEU B 352 162.645 228.058 218.410 1.00 31.52 N +ATOM 14003 CA LEU B 352 163.194 227.284 219.507 1.00 32.67 C +ATOM 14004 C LEU B 352 164.721 227.331 219.558 1.00 34.13 C +ATOM 14005 O LEU B 352 165.312 227.441 220.630 1.00 33.67 O +ATOM 14006 CB LEU B 352 162.721 225.838 219.383 1.00 32.18 C +ATOM 14007 CG LEU B 352 163.063 224.903 220.531 1.00 31.40 C +ATOM 14008 CD1 LEU B 352 162.584 225.505 221.830 1.00 48.97 C +ATOM 14009 CD2 LEU B 352 162.415 223.555 220.281 1.00 39.37 C +ATOM 14010 H LEU B 352 162.186 227.591 217.854 1.00 37.83 H +ATOM 14011 HA LEU B 352 162.856 227.640 220.344 1.00 39.21 H +ATOM 14012 HB2 LEU B 352 161.755 225.843 219.296 1.00 38.62 H +ATOM 14013 HB3 LEU B 352 163.113 225.460 218.580 1.00 38.62 H +ATOM 14014 HG LEU B 352 164.024 224.782 220.579 1.00 37.67 H +ATOM 14015 HD11 LEU B 352 162.806 224.902 222.557 1.00 58.77 H +ATOM 14016 HD12 LEU B 352 163.024 226.359 221.963 1.00 58.77 H +ATOM 14017 HD13 LEU B 352 161.623 225.629 221.785 1.00 58.77 H +ATOM 14018 HD21 LEU B 352 162.633 222.959 221.015 1.00 47.25 H +ATOM 14019 HD22 LEU B 352 161.453 223.672 220.226 1.00 47.25 H +ATOM 14020 HD23 LEU B 352 162.753 223.192 219.448 1.00 47.25 H +ATOM 14021 N SER B 353 165.350 227.241 218.391 1.00 33.60 N +ATOM 14022 CA SER B 353 166.802 227.171 218.295 1.00 31.27 C +ATOM 14023 C SER B 353 167.473 228.489 218.659 1.00 39.43 C +ATOM 14024 O SER B 353 168.561 228.503 219.234 1.00 31.52 O +ATOM 14025 CB SER B 353 167.211 226.772 216.878 1.00 33.96 C +ATOM 14026 OG SER B 353 167.014 227.852 215.976 1.00 27.16 O +ATOM 14027 H SER B 353 164.951 227.219 217.629 1.00 40.32 H +ATOM 14028 HA SER B 353 167.127 226.490 218.905 1.00 37.52 H +ATOM 14029 HB2 SER B 353 168.150 226.527 216.878 1.00 40.75 H +ATOM 14030 HB3 SER B 353 166.671 226.019 216.593 1.00 40.75 H +ATOM 14031 HG SER B 353 166.204 228.075 215.968 1.00 32.59 H +ATOM 14032 N GLY B 354 166.821 229.594 218.312 1.00 34.24 N +ATOM 14033 CA GLY B 354 167.397 230.912 218.504 1.00 34.63 C +ATOM 14034 C GLY B 354 168.347 231.280 217.379 1.00 26.91 C +ATOM 14035 O GLY B 354 168.976 232.334 217.406 1.00 30.24 O +ATOM 14036 H GLY B 354 166.036 229.603 217.961 1.00 41.09 H +ATOM 14037 HA2 GLY B 354 166.689 231.574 218.540 1.00 41.55 H +ATOM 14038 HA3 GLY B 354 167.885 230.935 219.341 1.00 41.55 H +ATOM 14039 N TYR B 355 168.445 230.407 216.383 1.00 33.50 N +ATOM 14040 CA TYR B 355 169.397 230.582 215.291 1.00 37.74 C +ATOM 14041 C TYR B 355 169.032 231.746 214.374 1.00 36.82 C +ATOM 14042 O TYR B 355 167.853 232.025 214.152 1.00 34.22 O +ATOM 14043 CB TYR B 355 169.487 229.302 214.454 1.00 37.64 C +ATOM 14044 CG TYR B 355 169.993 228.078 215.188 1.00 40.35 C +ATOM 14045 CD1 TYR B 355 170.617 228.180 216.424 1.00 37.31 C +ATOM 14046 CD2 TYR B 355 169.853 226.815 214.631 1.00 35.44 C +ATOM 14047 CE1 TYR B 355 171.082 227.056 217.084 1.00 40.55 C +ATOM 14048 CE2 TYR B 355 170.314 225.691 215.282 1.00 38.83 C +ATOM 14049 CZ TYR B 355 170.927 225.815 216.507 1.00 41.43 C +ATOM 14050 OH TYR B 355 171.385 224.688 217.152 1.00 47.93 O +ATOM 14051 H TYR B 355 167.966 229.696 216.316 1.00 40.20 H +ATOM 14052 HA TYR B 355 170.275 230.759 215.664 1.00 45.28 H +ATOM 14053 HB2 TYR B 355 168.602 229.093 214.116 1.00 45.17 H +ATOM 14054 HB3 TYR B 355 170.088 229.464 213.710 1.00 45.17 H +ATOM 14055 HD1 TYR B 355 170.723 229.017 216.815 1.00 44.77 H +ATOM 14056 HD2 TYR B 355 169.440 226.726 213.803 1.00 42.52 H +ATOM 14057 HE1 TYR B 355 171.497 227.138 217.913 1.00 48.66 H +ATOM 14058 HE2 TYR B 355 170.210 224.852 214.895 1.00 46.59 H +ATOM 14059 HH TYR B 355 171.737 224.900 217.885 1.00 57.51 H +ATOM 14060 N HIS B 356 170.053 232.414 213.842 1.00 37.03 N +ATOM 14061 CA HIS B 356 169.866 233.413 212.792 1.00 28.10 C +ATOM 14062 C HIS B 356 169.871 232.737 211.427 1.00 27.75 C +ATOM 14063 O HIS B 356 169.323 233.265 210.461 1.00 30.88 O +ATOM 14064 CB HIS B 356 170.956 234.483 212.841 1.00 33.83 C +ATOM 14065 CG HIS B 356 170.939 235.308 214.087 1.00 30.68 C +ATOM 14066 ND1 HIS B 356 169.813 235.969 214.528 1.00 31.21 N +ATOM 14067 CD2 HIS B 356 171.914 235.585 214.984 1.00 40.45 C +ATOM 14068 CE1 HIS B 356 170.094 236.613 215.646 1.00 33.42 C +ATOM 14069 NE2 HIS B 356 171.363 236.398 215.944 1.00 37.67 N +ATOM 14070 H HIS B 356 170.874 232.305 214.074 1.00 44.43 H +ATOM 14071 HA HIS B 356 169.008 233.848 212.913 1.00 33.72 H +ATOM 14072 HB2 HIS B 356 171.822 234.049 212.785 1.00 40.59 H +ATOM 14073 HB3 HIS B 356 170.840 235.082 212.087 1.00 40.59 H +ATOM 14074 HD2 HIS B 356 172.793 235.281 214.957 1.00 48.54 H +ATOM 14075 HE1 HIS B 356 169.500 237.132 216.138 1.00 40.10 H +ATOM 14076 HE2 HIS B 356 171.776 236.715 216.628 1.00 45.20 H +ATOM 14077 N PHE B 357 170.513 231.575 211.346 1.00 33.61 N +ATOM 14078 CA PHE B 357 170.430 230.751 210.149 1.00 28.34 C +ATOM 14079 C PHE B 357 168.991 230.295 209.969 1.00 30.48 C +ATOM 14080 O PHE B 357 168.351 229.853 210.920 1.00 31.47 O +ATOM 14081 CB PHE B 357 171.364 229.544 210.235 1.00 27.02 C +ATOM 14082 CG PHE B 357 171.123 228.521 209.162 1.00 29.44 C +ATOM 14083 CD1 PHE B 357 171.586 228.726 207.874 1.00 34.56 C +ATOM 14084 CD2 PHE B 357 170.425 227.359 209.441 1.00 34.08 C +ATOM 14085 CE1 PHE B 357 171.361 227.789 206.886 1.00 35.25 C +ATOM 14086 CE2 PHE B 357 170.197 226.418 208.454 1.00 29.32 C +ATOM 14087 CZ PHE B 357 170.666 226.634 207.176 1.00 35.09 C +ATOM 14088 H PHE B 357 171.003 231.244 211.970 1.00 40.34 H +ATOM 14089 HA PHE B 357 170.683 231.280 209.376 1.00 34.00 H +ATOM 14090 HB2 PHE B 357 172.281 229.850 210.153 1.00 32.42 H +ATOM 14091 HB3 PHE B 357 171.237 229.110 211.093 1.00 32.42 H +ATOM 14092 HD1 PHE B 357 172.055 229.503 207.673 1.00 41.47 H +ATOM 14093 HD2 PHE B 357 170.107 227.210 210.301 1.00 40.90 H +ATOM 14094 HE1 PHE B 357 171.678 227.936 206.024 1.00 42.30 H +ATOM 14095 HE2 PHE B 357 169.728 225.640 208.653 1.00 35.18 H +ATOM 14096 HZ PHE B 357 170.514 226.002 206.511 1.00 42.10 H +ATOM 14097 N LYS B 358 168.486 230.408 208.747 1.00 35.18 N +ATOM 14098 CA LYS B 358 167.089 230.108 208.468 1.00 41.53 C +ATOM 14099 C LYS B 358 166.901 228.636 208.117 1.00 38.02 C +ATOM 14100 O LYS B 358 167.311 228.184 207.048 1.00 32.48 O +ATOM 14101 CB LYS B 358 166.582 230.995 207.333 1.00 46.50 C +ATOM 14102 CG LYS B 358 165.082 230.965 207.134 1.00 55.66 C +ATOM 14103 CD LYS B 358 164.666 231.972 206.077 1.00 65.00 C +ATOM 14104 CE LYS B 358 163.173 231.936 205.809 1.00 70.12 C +ATOM 14105 NZ LYS B 358 162.793 232.914 204.753 1.00 91.20 N +ATOM 14106 H LYS B 358 168.936 230.657 208.058 1.00 42.21 H +ATOM 14107 HA LYS B 358 166.560 230.299 209.258 1.00 49.84 H +ATOM 14108 HB2 LYS B 358 166.835 231.913 207.519 1.00 55.80 H +ATOM 14109 HB3 LYS B 358 166.994 230.705 206.504 1.00 55.80 H +ATOM 14110 HG2 LYS B 358 164.812 230.081 206.839 1.00 66.80 H +ATOM 14111 HG3 LYS B 358 164.640 231.194 207.967 1.00 66.80 H +ATOM 14112 HD2 LYS B 358 164.897 232.865 206.379 1.00 78.01 H +ATOM 14113 HD3 LYS B 358 165.127 231.771 205.247 1.00 78.01 H +ATOM 14114 HE2 LYS B 358 162.923 231.048 205.507 1.00 84.14 H +ATOM 14115 HE3 LYS B 358 162.695 232.163 206.622 1.00 84.14 H +ATOM 14116 HZ1 LYS B 358 161.916 232.879 204.609 1.00109.43 H +ATOM 14117 HZ2 LYS B 358 163.012 233.737 205.009 1.00109.43 H +ATOM 14118 HZ3 LYS B 358 163.219 232.723 203.995 1.00109.43 H +ATOM 14119 N LEU B 359 166.282 227.894 209.028 1.00 28.34 N +ATOM 14120 CA LEU B 359 166.029 226.477 208.811 1.00 34.24 C +ATOM 14121 C LEU B 359 165.094 226.281 207.622 1.00 29.50 C +ATOM 14122 O LEU B 359 164.290 227.154 207.302 1.00 35.03 O +ATOM 14123 CB LEU B 359 165.439 225.840 210.071 1.00 29.39 C +ATOM 14124 CG LEU B 359 166.323 225.933 211.319 1.00 32.65 C +ATOM 14125 CD1 LEU B 359 165.585 225.416 212.549 1.00 27.77 C +ATOM 14126 CD2 LEU B 359 167.624 225.175 211.123 1.00 25.95 C +ATOM 14127 H LEU B 359 165.998 228.190 209.784 1.00 34.01 H +ATOM 14128 HA LEU B 359 166.867 226.032 208.612 1.00 41.09 H +ATOM 14129 HB2 LEU B 359 164.599 226.279 210.274 1.00 35.27 H +ATOM 14130 HB3 LEU B 359 165.280 224.899 209.895 1.00 35.27 H +ATOM 14131 HG LEU B 359 166.544 226.864 211.477 1.00 39.17 H +ATOM 14132 HD11 LEU B 359 166.169 225.488 213.320 1.00 33.32 H +ATOM 14133 HD12 LEU B 359 164.787 225.950 212.686 1.00 33.32 H +ATOM 14134 HD13 LEU B 359 165.341 224.488 212.404 1.00 33.32 H +ATOM 14135 HD21 LEU B 359 168.159 225.253 211.928 1.00 31.15 H +ATOM 14136 HD22 LEU B 359 167.422 224.242 210.948 1.00 31.15 H +ATOM 14137 HD23 LEU B 359 168.101 225.557 210.370 1.00 31.15 H +ATOM 14138 N LYS B 360 165.214 225.130 206.973 1.00 31.49 N +ATOM 14139 CA LYS B 360 164.463 224.849 205.758 1.00 37.03 C +ATOM 14140 C LYS B 360 163.902 223.433 205.766 1.00 40.30 C +ATOM 14141 O LYS B 360 164.632 222.471 206.007 1.00 36.01 O +ATOM 14142 CB LYS B 360 165.358 225.045 204.532 1.00 32.87 C +ATOM 14143 CG LYS B 360 164.646 224.877 203.202 1.00 34.45 C +ATOM 14144 CD LYS B 360 165.577 225.188 202.037 1.00 43.20 C +ATOM 14145 CE LYS B 360 164.834 225.199 200.712 1.00 47.40 C +ATOM 14146 NZ LYS B 360 165.681 224.707 199.593 1.00 45.32 N +ATOM 14147 H LYS B 360 165.730 224.488 207.220 1.00 37.79 H +ATOM 14148 HA LYS B 360 163.720 225.468 205.693 1.00 44.44 H +ATOM 14149 HB2 LYS B 360 165.727 225.942 204.557 1.00 39.44 H +ATOM 14150 HB3 LYS B 360 166.077 224.395 204.565 1.00 39.44 H +ATOM 14151 HG2 LYS B 360 164.342 223.960 203.114 1.00 41.34 H +ATOM 14152 HG3 LYS B 360 163.892 225.486 203.162 1.00 41.34 H +ATOM 14153 HD2 LYS B 360 165.973 226.064 202.170 1.00 51.84 H +ATOM 14154 HD3 LYS B 360 166.269 224.510 201.991 1.00 51.84 H +ATOM 14155 HE2 LYS B 360 164.056 224.624 200.778 1.00 56.88 H +ATOM 14156 HE3 LYS B 360 164.561 226.107 200.507 1.00 56.88 H +ATOM 14157 HZ1 LYS B 360 165.219 224.725 198.832 1.00 54.38 H +ATOM 14158 HZ2 LYS B 360 166.401 225.223 199.507 1.00 54.38 H +ATOM 14159 HZ3 LYS B 360 165.941 223.871 199.753 1.00 54.38 H +ATOM 14160 N PHE B 361 162.602 223.317 205.513 1.00 32.53 N +ATOM 14161 CA PHE B 361 161.997 222.022 205.250 1.00 27.93 C +ATOM 14162 C PHE B 361 162.072 221.733 203.759 1.00 29.88 C +ATOM 14163 O PHE B 361 161.330 222.313 202.965 1.00 29.10 O +ATOM 14164 CB PHE B 361 160.543 221.970 205.722 1.00 30.27 C +ATOM 14165 CG PHE B 361 159.822 220.723 205.290 1.00 29.31 C +ATOM 14166 CD1 PHE B 361 160.364 219.475 205.549 1.00 24.19 C +ATOM 14167 CD2 PHE B 361 158.615 220.797 204.621 1.00 25.72 C +ATOM 14168 CE1 PHE B 361 159.716 218.328 205.152 1.00 22.74 C +ATOM 14169 CE2 PHE B 361 157.961 219.650 204.223 1.00 28.93 C +ATOM 14170 CZ PHE B 361 158.514 218.412 204.491 1.00 28.63 C +ATOM 14171 H PHE B 361 162.050 223.976 205.489 1.00 39.04 H +ATOM 14172 HA PHE B 361 162.495 221.334 205.719 1.00 33.51 H +ATOM 14173 HB2 PHE B 361 160.526 222.004 206.691 1.00 36.33 H +ATOM 14174 HB3 PHE B 361 160.067 222.731 205.356 1.00 36.33 H +ATOM 14175 HD1 PHE B 361 161.177 219.411 205.996 1.00 29.03 H +ATOM 14176 HD2 PHE B 361 158.239 221.628 204.439 1.00 30.86 H +ATOM 14177 HE1 PHE B 361 160.089 217.496 205.334 1.00 27.29 H +ATOM 14178 HE2 PHE B 361 157.148 219.709 203.775 1.00 34.72 H +ATOM 14179 HZ PHE B 361 158.074 217.638 204.223 1.00 34.36 H +ATOM 14180 N ASP B 362 162.979 220.837 203.387 1.00 34.75 N +ATOM 14181 CA ASP B 362 163.171 220.469 201.994 1.00 36.57 C +ATOM 14182 C ASP B 362 163.691 219.035 201.904 1.00 30.66 C +ATOM 14183 O ASP B 362 164.889 218.795 202.046 1.00 25.53 O +ATOM 14184 CB ASP B 362 164.134 221.439 201.311 1.00 33.13 C +ATOM 14185 CG ASP B 362 164.322 221.134 199.838 1.00 41.32 C +ATOM 14186 OD1 ASP B 362 163.481 220.407 199.267 1.00 43.87 O +ATOM 14187 OD2 ASP B 362 165.307 221.625 199.248 1.00 39.68 O +ATOM 14188 H ASP B 362 163.501 220.424 203.931 1.00 41.70 H +ATOM 14189 HA ASP B 362 162.319 220.512 201.532 1.00 43.88 H +ATOM 14190 HB2 ASP B 362 163.784 222.341 201.388 1.00 39.75 H +ATOM 14191 HB3 ASP B 362 165.001 221.381 201.743 1.00 39.75 H +ATOM 14192 N PRO B 363 162.783 218.071 201.693 1.00 31.42 N +ATOM 14193 CA PRO B 363 163.159 216.657 201.568 1.00 32.33 C +ATOM 14194 C PRO B 363 164.224 216.383 200.508 1.00 30.18 C +ATOM 14195 O PRO B 363 164.932 215.383 200.606 1.00 31.66 O +ATOM 14196 CB PRO B 363 161.835 215.990 201.193 1.00 29.15 C +ATOM 14197 CG PRO B 363 160.812 216.830 201.867 1.00 29.25 C +ATOM 14198 CD PRO B 363 161.318 218.238 201.749 1.00 29.23 C +ATOM 14199 HA PRO B 363 163.461 216.312 202.423 1.00 38.79 H +ATOM 14200 HB2 PRO B 363 161.717 216.006 200.231 1.00 34.98 H +ATOM 14201 HB3 PRO B 363 161.815 215.081 201.532 1.00 34.98 H +ATOM 14202 HG2 PRO B 363 159.960 216.733 201.413 1.00 35.10 H +ATOM 14203 HG3 PRO B 363 160.737 216.569 202.798 1.00 35.10 H +ATOM 14204 HD2 PRO B 363 160.993 218.647 200.932 1.00 35.08 H +ATOM 14205 HD3 PRO B 363 161.067 218.754 202.530 1.00 35.08 H +ATOM 14206 N GLU B 364 164.342 217.257 199.513 1.00 42.14 N +ATOM 14207 CA GLU B 364 165.316 217.058 198.443 1.00 43.73 C +ATOM 14208 C GLU B 364 166.755 217.175 198.941 1.00 32.85 C +ATOM 14209 O GLU B 364 167.674 216.651 198.316 1.00 30.62 O +ATOM 14210 CB GLU B 364 165.073 218.054 197.310 1.00 64.15 C +ATOM 14211 CG GLU B 364 163.912 217.677 196.406 1.00 72.64 C +ATOM 14212 CD GLU B 364 163.589 218.749 195.385 1.00 72.42 C +ATOM 14213 OE1 GLU B 364 164.533 219.368 194.854 1.00 75.40 O +ATOM 14214 OE2 GLU B 364 162.389 218.975 195.117 1.00 68.63 O +ATOM 14215 H GLU B 364 163.871 217.972 199.434 1.00 50.56 H +ATOM 14216 HA GLU B 364 165.201 216.165 198.081 1.00 52.48 H +ATOM 14217 HB2 GLU B 364 164.880 218.924 197.694 1.00 76.98 H +ATOM 14218 HB3 GLU B 364 165.871 218.106 196.762 1.00 76.98 H +ATOM 14219 HG2 GLU B 364 164.136 216.864 195.926 1.00 87.17 H +ATOM 14220 HG3 GLU B 364 163.122 217.534 196.950 1.00 87.17 H +ATOM 14221 N LEU B 365 166.948 217.856 200.066 1.00 22.68 N +ATOM 14222 CA LEU B 365 168.273 217.976 200.669 1.00 31.31 C +ATOM 14223 C LEU B 365 168.887 216.608 200.976 1.00 36.71 C +ATOM 14224 O LEU B 365 170.107 216.469 201.014 1.00 37.83 O +ATOM 14225 CB LEU B 365 168.209 218.801 201.957 1.00 32.46 C +ATOM 14226 CG LEU B 365 167.687 220.238 201.860 1.00 37.14 C +ATOM 14227 CD1 LEU B 365 167.633 220.868 203.246 1.00 34.17 C +ATOM 14228 CD2 LEU B 365 168.536 221.079 200.925 1.00 36.26 C +ATOM 14229 H LEU B 365 166.327 218.260 200.502 1.00 27.22 H +ATOM 14230 HA LEU B 365 168.861 218.434 200.048 1.00 37.57 H +ATOM 14231 HB2 LEU B 365 167.633 218.334 202.583 1.00 38.95 H +ATOM 14232 HB3 LEU B 365 169.104 218.850 202.326 1.00 38.95 H +ATOM 14233 HG LEU B 365 166.784 220.220 201.506 1.00 44.57 H +ATOM 14234 HD11 LEU B 365 167.301 221.776 203.167 1.00 41.00 H +ATOM 14235 HD12 LEU B 365 167.037 220.346 203.806 1.00 41.00 H +ATOM 14236 HD13 LEU B 365 168.525 220.873 203.625 1.00 41.00 H +ATOM 14237 HD21 LEU B 365 168.173 221.978 200.892 1.00 43.51 H +ATOM 14238 HD22 LEU B 365 169.446 221.101 201.259 1.00 43.51 H +ATOM 14239 HD23 LEU B 365 168.518 220.682 200.040 1.00 43.51 H +ATOM 14240 N LEU B 366 168.039 215.604 201.191 1.00 38.49 N +ATOM 14241 CA LEU B 366 168.487 214.291 201.654 1.00 30.43 C +ATOM 14242 C LEU B 366 168.490 213.210 200.573 1.00 29.44 C +ATOM 14243 O LEU B 366 168.900 212.082 200.829 1.00 34.67 O +ATOM 14244 CB LEU B 366 167.605 213.819 202.815 1.00 29.08 C +ATOM 14245 CG LEU B 366 167.662 214.613 204.120 1.00 34.44 C +ATOM 14246 CD1 LEU B 366 166.674 214.033 205.123 1.00 29.59 C +ATOM 14247 CD2 LEU B 366 169.070 214.617 204.696 1.00 28.03 C +ATOM 14248 H LEU B 366 167.188 215.659 201.073 1.00 46.18 H +ATOM 14249 HA LEU B 366 169.394 214.374 201.988 1.00 36.52 H +ATOM 14250 HB2 LEU B 366 166.683 213.834 202.514 1.00 34.90 H +ATOM 14251 HB3 LEU B 366 167.855 212.906 203.027 1.00 34.90 H +ATOM 14252 HG LEU B 366 167.407 215.532 203.944 1.00 41.32 H +ATOM 14253 HD11 LEU B 366 166.721 214.546 205.945 1.00 35.51 H +ATOM 14254 HD12 LEU B 366 165.780 214.086 204.750 1.00 35.51 H +ATOM 14255 HD13 LEU B 366 166.907 213.108 205.296 1.00 35.51 H +ATOM 14256 HD21 LEU B 366 169.071 215.127 205.521 1.00 33.64 H +ATOM 14257 HD22 LEU B 366 169.341 213.702 204.872 1.00 33.64 H +ATOM 14258 HD23 LEU B 366 169.672 215.024 204.054 1.00 33.64 H +ATOM 14259 N PHE B 367 168.036 213.545 199.372 1.00 32.87 N +ATOM 14260 CA PHE B 367 167.867 212.540 198.323 1.00 36.44 C +ATOM 14261 C PHE B 367 169.186 211.919 197.844 1.00 38.37 C +ATOM 14262 O PHE B 367 169.190 210.797 197.341 1.00 39.75 O +ATOM 14263 CB PHE B 367 167.121 213.142 197.129 1.00 31.16 C +ATOM 14264 CG PHE B 367 165.636 213.327 197.353 1.00 38.86 C +ATOM 14265 CD1 PHE B 367 165.002 212.797 198.466 1.00 31.81 C +ATOM 14266 CD2 PHE B 367 164.871 214.025 196.433 1.00 38.50 C +ATOM 14267 CE1 PHE B 367 163.648 212.967 198.658 1.00 32.31 C +ATOM 14268 CE2 PHE B 367 163.515 214.196 196.625 1.00 33.06 C +ATOM 14269 CZ PHE B 367 162.905 213.666 197.738 1.00 33.95 C +ATOM 14270 H PHE B 367 167.819 214.343 199.136 1.00 39.45 H +ATOM 14271 HA PHE B 367 167.320 211.820 198.675 1.00 43.72 H +ATOM 14272 HB2 PHE B 367 167.500 214.013 196.933 1.00 37.40 H +ATOM 14273 HB3 PHE B 367 167.233 212.557 196.364 1.00 37.40 H +ATOM 14274 HD1 PHE B 367 165.498 212.323 199.094 1.00 38.17 H +ATOM 14275 HD2 PHE B 367 165.277 214.387 195.679 1.00 46.20 H +ATOM 14276 HE1 PHE B 367 163.237 212.609 199.411 1.00 38.78 H +ATOM 14277 HE2 PHE B 367 163.013 214.669 196.001 1.00 39.68 H +ATOM 14278 HZ PHE B 367 161.991 213.781 197.867 1.00 40.75 H +ATOM 14279 N ASN B 368 170.296 212.638 197.997 1.00 37.53 N +ATOM 14280 CA ASN B 368 171.611 212.093 197.656 1.00 52.74 C +ATOM 14281 C ASN B 368 172.389 211.636 198.892 1.00 52.76 C +ATOM 14282 O ASN B 368 173.579 211.334 198.808 1.00 53.07 O +ATOM 14283 CB ASN B 368 172.439 213.122 196.881 1.00 54.51 C +ATOM 14284 CG ASN B 368 171.930 213.344 195.470 1.00 94.80 C +ATOM 14285 OD1 ASN B 368 171.122 212.567 194.958 1.00 78.09 O +ATOM 14286 ND2 ASN B 368 172.414 214.400 194.829 1.00115.57 N +ATOM 14287 H ASN B 368 170.316 213.444 198.296 1.00 45.03 H +ATOM 14288 HA ASN B 368 171.488 211.320 197.083 1.00 63.29 H +ATOM 14289 HB2 ASN B 368 172.406 213.971 197.349 1.00 65.41 H +ATOM 14290 HB3 ASN B 368 173.356 212.810 196.823 1.00 65.41 H +ATOM 14291 HD21 ASN B 368 172.157 214.570 194.026 1.00138.69 H +ATOM 14292 HD22 ASN B 368 172.984 214.914 195.216 1.00138.69 H +ATOM 14293 N LYS B 369 171.712 211.576 200.033 1.00 46.24 N +ATOM 14294 CA LYS B 369 172.343 211.174 201.284 1.00 37.58 C +ATOM 14295 C LYS B 369 171.841 209.808 201.730 1.00 31.65 C +ATOM 14296 O LYS B 369 170.785 209.355 201.298 1.00 37.86 O +ATOM 14297 CB LYS B 369 172.063 212.199 202.383 1.00 37.48 C +ATOM 14298 CG LYS B 369 172.313 213.638 201.982 1.00 48.93 C +ATOM 14299 CD LYS B 369 173.783 213.907 201.723 1.00 60.46 C +ATOM 14300 CE LYS B 369 174.005 215.359 201.343 1.00 69.49 C +ATOM 14301 NZ LYS B 369 175.431 215.667 201.063 1.00 78.35 N +ATOM 14302 H LYS B 369 170.877 211.766 200.109 1.00 55.49 H +ATOM 14303 HA LYS B 369 173.303 211.119 201.156 1.00 45.10 H +ATOM 14304 HB2 LYS B 369 171.133 212.124 202.647 1.00 44.97 H +ATOM 14305 HB3 LYS B 369 172.634 212.002 203.143 1.00 44.97 H +ATOM 14306 HG2 LYS B 369 171.822 213.832 201.169 1.00 58.71 H +ATOM 14307 HG3 LYS B 369 172.020 214.223 202.698 1.00 58.71 H +ATOM 14308 HD2 LYS B 369 174.292 213.719 202.527 1.00 72.55 H +ATOM 14309 HD3 LYS B 369 174.088 213.349 200.991 1.00 72.55 H +ATOM 14310 HE2 LYS B 369 173.493 215.559 200.544 1.00 83.38 H +ATOM 14311 HE3 LYS B 369 173.714 215.925 202.075 1.00 83.38 H +ATOM 14312 HZ1 LYS B 369 175.519 216.526 200.845 1.00 94.02 H +ATOM 14313 HZ2 LYS B 369 175.925 215.500 201.784 1.00 94.02 H +ATOM 14314 HZ3 LYS B 369 175.724 215.166 200.389 1.00 94.02 H +ATOM 14315 N GLN B 370 172.611 209.152 202.590 1.00 37.14 N +ATOM 14316 CA GLN B 370 172.123 207.976 203.298 1.00 39.82 C +ATOM 14317 C GLN B 370 171.151 208.436 204.369 1.00 34.58 C +ATOM 14318 O GLN B 370 171.490 209.288 205.188 1.00 33.79 O +ATOM 14319 CB GLN B 370 173.267 207.189 203.934 1.00 39.03 C +ATOM 14320 CG GLN B 370 174.217 206.527 202.956 1.00 38.96 C +ATOM 14321 CD GLN B 370 175.315 205.760 203.668 1.00 40.03 C +ATOM 14322 OE1 GLN B 370 176.308 206.340 204.103 1.00 42.23 O +ATOM 14323 NE2 GLN B 370 175.132 204.451 203.807 1.00 43.51 N +ATOM 14324 H GLN B 370 173.422 209.367 202.781 1.00 44.57 H +ATOM 14325 HA GLN B 370 171.652 207.395 202.680 1.00 47.78 H +ATOM 14326 HB2 GLN B 370 173.789 207.795 204.483 1.00 46.84 H +ATOM 14327 HB3 GLN B 370 172.888 206.491 204.491 1.00 46.84 H +ATOM 14328 HG2 GLN B 370 173.721 205.904 202.402 1.00 46.75 H +ATOM 14329 HG3 GLN B 370 174.632 207.208 202.404 1.00 46.75 H +ATOM 14330 HE21 GLN B 370 174.418 204.082 203.500 1.00 52.22 H +ATOM 14331 HE22 GLN B 370 175.727 203.974 204.204 1.00 52.22 H +ATOM 14332 N PHE B 371 169.945 207.882 204.366 1.00 32.88 N +ATOM 14333 CA PHE B 371 168.932 208.285 205.332 1.00 31.12 C +ATOM 14334 C PHE B 371 167.799 207.267 205.395 1.00 24.75 C +ATOM 14335 O PHE B 371 167.302 206.821 204.365 1.00 32.90 O +ATOM 14336 CB PHE B 371 168.383 209.669 204.976 1.00 32.52 C +ATOM 14337 CG PHE B 371 167.542 210.281 206.054 1.00 32.54 C +ATOM 14338 CD1 PHE B 371 168.128 211.000 207.079 1.00 28.39 C +ATOM 14339 CD2 PHE B 371 166.166 210.136 206.046 1.00 33.53 C +ATOM 14340 CE1 PHE B 371 167.359 211.558 208.075 1.00 30.11 C +ATOM 14341 CE2 PHE B 371 165.393 210.695 207.042 1.00 26.42 C +ATOM 14342 CZ PHE B 371 165.991 211.406 208.057 1.00 30.38 C +ATOM 14343 H PHE B 371 169.689 207.271 203.817 1.00 39.46 H +ATOM 14344 HA PHE B 371 169.336 208.340 206.212 1.00 37.34 H +ATOM 14345 HB2 PHE B 371 169.128 210.267 204.806 1.00 39.02 H +ATOM 14346 HB3 PHE B 371 167.834 209.593 204.180 1.00 39.02 H +ATOM 14347 HD1 PHE B 371 169.052 211.104 207.098 1.00 34.06 H +ATOM 14348 HD2 PHE B 371 165.758 209.654 205.363 1.00 40.24 H +ATOM 14349 HE1 PHE B 371 167.764 212.040 208.760 1.00 36.13 H +ATOM 14350 HE2 PHE B 371 164.469 210.592 207.028 1.00 31.71 H +ATOM 14351 HZ PHE B 371 165.471 211.785 208.728 1.00 36.46 H +ATOM 14352 N GLN B 372 167.400 206.901 206.610 1.00 24.05 N +ATOM 14353 CA GLN B 372 166.326 205.929 206.809 1.00 27.26 C +ATOM 14354 C GLN B 372 164.980 206.621 207.007 1.00 19.95 C +ATOM 14355 O GLN B 372 164.784 207.354 207.973 1.00 22.28 O +ATOM 14356 CB GLN B 372 166.632 205.033 208.010 1.00 20.77 C +ATOM 14357 CG GLN B 372 167.918 204.245 207.879 1.00 19.81 C +ATOM 14358 CD GLN B 372 167.901 203.274 206.717 1.00 21.65 C +ATOM 14359 OE1 GLN B 372 166.998 202.448 206.591 1.00 23.41 O +ATOM 14360 NE2 GLN B 372 168.904 203.372 205.857 1.00 29.26 N +ATOM 14361 H GLN B 372 167.737 207.203 207.341 1.00 28.86 H +ATOM 14362 HA GLN B 372 166.261 205.365 206.023 1.00 32.71 H +ATOM 14363 HB2 GLN B 372 166.705 205.588 208.803 1.00 24.93 H +ATOM 14364 HB3 GLN B 372 165.906 204.399 208.119 1.00 24.93 H +ATOM 14365 HG2 GLN B 372 168.653 204.862 207.743 1.00 23.77 H +ATOM 14366 HG3 GLN B 372 168.059 203.735 208.692 1.00 23.77 H +ATOM 14367 HE21 GLN B 372 169.517 203.963 205.977 1.00 35.11 H +ATOM 14368 HE22 GLN B 372 168.942 202.844 205.179 1.00 35.11 H +ATOM 14369 N TYR B 373 164.056 206.384 206.086 1.00 20.31 N +ATOM 14370 CA TYR B 373 162.725 206.967 206.187 1.00 24.30 C +ATOM 14371 C TYR B 373 161.841 206.099 207.069 1.00 19.34 C +ATOM 14372 O TYR B 373 160.933 205.422 206.600 1.00 24.02 O +ATOM 14373 CB TYR B 373 162.113 207.149 204.799 1.00 23.58 C +ATOM 14374 CG TYR B 373 162.857 208.167 203.976 1.00 20.98 C +ATOM 14375 CD1 TYR B 373 162.771 209.520 204.275 1.00 23.69 C +ATOM 14376 CD2 TYR B 373 163.657 207.779 202.914 1.00 27.11 C +ATOM 14377 CE1 TYR B 373 163.456 210.454 203.535 1.00 24.62 C +ATOM 14378 CE2 TYR B 373 164.345 208.708 202.165 1.00 25.99 C +ATOM 14379 CZ TYR B 373 164.243 210.045 202.480 1.00 32.02 C +ATOM 14380 OH TYR B 373 164.932 210.974 201.732 1.00 28.90 O +ATOM 14381 H TYR B 373 164.174 205.890 205.392 1.00 24.38 H +ATOM 14382 HA TYR B 373 162.794 207.841 206.600 1.00 29.16 H +ATOM 14383 HB2 TYR B 373 162.139 206.302 204.327 1.00 28.29 H +ATOM 14384 HB3 TYR B 373 161.195 207.449 204.893 1.00 28.29 H +ATOM 14385 HD1 TYR B 373 162.242 209.798 204.987 1.00 28.43 H +ATOM 14386 HD2 TYR B 373 163.728 206.876 202.701 1.00 32.53 H +ATOM 14387 HE1 TYR B 373 163.387 211.358 203.744 1.00 29.54 H +ATOM 14388 HE2 TYR B 373 164.877 208.434 201.454 1.00 31.19 H +ATOM 14389 HH TYR B 373 164.783 211.746 202.026 1.00 34.68 H +ATOM 14390 N GLN B 374 162.145 206.120 208.359 1.00 22.09 N +ATOM 14391 CA GLN B 374 161.357 205.435 209.366 1.00 24.98 C +ATOM 14392 C GLN B 374 161.711 206.038 210.714 1.00 19.64 C +ATOM 14393 O GLN B 374 162.703 206.751 210.832 1.00 16.50 O +ATOM 14394 CB GLN B 374 161.613 203.924 209.349 1.00 21.73 C +ATOM 14395 CG GLN B 374 163.070 203.523 209.493 1.00 26.70 C +ATOM 14396 CD GLN B 374 163.253 202.014 209.566 1.00 28.45 C +ATOM 14397 OE1 GLN B 374 162.815 201.370 210.519 1.00 35.73 O +ATOM 14398 NE2 GLN B 374 163.896 201.445 208.555 1.00 29.66 N +ATOM 14399 H GLN B 374 162.823 206.538 208.682 1.00 26.51 H +ATOM 14400 HA GLN B 374 160.414 205.589 209.199 1.00 29.98 H +ATOM 14401 HB2 GLN B 374 161.123 203.519 210.082 1.00 26.08 H +ATOM 14402 HB3 GLN B 374 161.292 203.566 208.506 1.00 26.08 H +ATOM 14403 HG2 GLN B 374 163.567 203.850 208.726 1.00 32.03 H +ATOM 14404 HG3 GLN B 374 163.426 203.909 210.309 1.00 32.03 H +ATOM 14405 HE21 GLN B 374 164.185 201.926 207.903 1.00 35.59 H +ATOM 14406 HE22 GLN B 374 164.024 200.594 208.551 1.00 35.59 H +ATOM 14407 N ASN B 375 160.895 205.764 211.722 1.00 22.66 N +ATOM 14408 CA ASN B 375 161.120 206.314 213.048 1.00 19.53 C +ATOM 14409 C ASN B 375 160.468 205.465 214.125 1.00 22.70 C +ATOM 14410 O ASN B 375 159.446 204.824 213.898 1.00 19.61 O +ATOM 14411 CB ASN B 375 160.587 207.746 213.129 1.00 18.77 C +ATOM 14412 CG ASN B 375 161.101 208.497 214.345 1.00 19.94 C +ATOM 14413 OD1 ASN B 375 162.298 208.504 214.625 1.00 18.61 O +ATOM 14414 ND2 ASN B 375 160.193 209.130 215.075 1.00 25.47 N +ATOM 14415 H ASN B 375 160.200 205.261 211.663 1.00 27.19 H +ATOM 14416 HA ASN B 375 162.074 206.339 213.223 1.00 23.44 H +ATOM 14417 HB2 ASN B 375 160.864 208.231 212.337 1.00 22.52 H +ATOM 14418 HB3 ASN B 375 159.618 207.720 213.181 1.00 22.52 H +ATOM 14419 HD21 ASN B 375 160.433 209.570 215.774 1.00 30.57 H +ATOM 14420 HD22 ASN B 375 159.363 209.101 214.850 1.00 30.57 H +ATOM 14421 N ARG B 376 161.090 205.457 215.297 1.00 20.23 N +ATOM 14422 CA ARG B 376 160.517 204.853 216.485 1.00 23.57 C +ATOM 14423 C ARG B 376 160.716 205.836 217.629 1.00 18.56 C +ATOM 14424 O ARG B 376 161.829 206.300 217.866 1.00 21.24 O +ATOM 14425 CB ARG B 376 161.174 203.508 216.792 1.00 25.56 C +ATOM 14426 CG ARG B 376 160.419 202.651 217.799 1.00 24.18 C +ATOM 14427 CD ARG B 376 159.198 201.984 217.187 1.00 17.45 C +ATOM 14428 NE ARG B 376 159.554 201.077 216.101 1.00 20.51 N +ATOM 14429 CZ ARG B 376 160.007 199.837 216.266 1.00 18.34 C +ATOM 14430 NH1 ARG B 376 160.174 199.332 217.480 1.00 20.04 N +ATOM 14431 NH2 ARG B 376 160.300 199.097 215.207 1.00 19.89 N +ATOM 14432 H ARG B 376 161.865 205.805 215.429 1.00 24.28 H +ATOM 14433 HA ARG B 376 159.566 204.713 216.356 1.00 28.28 H +ATOM 14434 HB2 ARG B 376 161.243 203.001 215.968 1.00 30.68 H +ATOM 14435 HB3 ARG B 376 162.061 203.670 217.151 1.00 30.68 H +ATOM 14436 HG2 ARG B 376 161.009 201.955 218.129 1.00 29.01 H +ATOM 14437 HG3 ARG B 376 160.121 203.212 218.532 1.00 29.01 H +ATOM 14438 HD2 ARG B 376 158.739 201.472 217.871 1.00 20.94 H +ATOM 14439 HD3 ARG B 376 158.609 202.667 216.829 1.00 20.94 H +ATOM 14440 HE ARG B 376 159.465 201.364 215.295 1.00 24.61 H +ATOM 14441 HH11 ARG B 376 159.986 199.806 218.173 1.00 24.05 H +ATOM 14442 HH12 ARG B 376 160.468 198.530 217.575 1.00 24.05 H +ATOM 14443 HH21 ARG B 376 160.195 199.418 214.416 1.00 23.86 H +ATOM 14444 HH22 ARG B 376 160.594 198.296 215.310 1.00 23.86 H +ATOM 14445 N ILE B 377 159.631 206.172 218.315 1.00 18.35 N +ATOM 14446 CA ILE B 377 159.672 207.182 219.363 1.00 16.95 C +ATOM 14447 C ILE B 377 160.452 206.682 220.572 1.00 18.78 C +ATOM 14448 O ILE B 377 160.147 205.631 221.132 1.00 18.82 O +ATOM 14449 CB ILE B 377 158.250 207.592 219.797 1.00 19.22 C +ATOM 14450 CG1 ILE B 377 157.478 208.160 218.601 1.00 23.86 C +ATOM 14451 CG2 ILE B 377 158.293 208.602 220.943 1.00 19.46 C +ATOM 14452 CD1 ILE B 377 158.089 209.414 217.980 1.00 21.40 C +ATOM 14453 H ILE B 377 158.853 205.827 218.191 1.00 22.02 H +ATOM 14454 HA ILE B 377 160.121 207.972 219.023 1.00 20.34 H +ATOM 14455 HB ILE B 377 157.787 206.799 220.109 1.00 23.07 H +ATOM 14456 HG12 ILE B 377 157.436 207.481 217.909 1.00 28.64 H +ATOM 14457 HG13 ILE B 377 156.580 208.385 218.891 1.00 28.64 H +ATOM 14458 HG21 ILE B 377 157.385 208.838 221.190 1.00 23.35 H +ATOM 14459 HG22 ILE B 377 158.749 208.202 221.700 1.00 23.35 H +ATOM 14460 HG23 ILE B 377 158.772 209.393 220.649 1.00 23.35 H +ATOM 14461 HD11 ILE B 377 157.536 209.699 217.236 1.00 25.68 H +ATOM 14462 HD12 ILE B 377 158.126 210.112 218.652 1.00 25.68 H +ATOM 14463 HD13 ILE B 377 158.984 209.207 217.668 1.00 25.68 H +ATOM 14464 N ALA B 378 161.460 207.453 220.961 1.00 16.62 N +ATOM 14465 CA ALA B 378 162.292 207.120 222.109 1.00 17.79 C +ATOM 14466 C ALA B 378 161.643 207.594 223.400 1.00 22.47 C +ATOM 14467 O ALA B 378 161.101 208.697 223.463 1.00 24.96 O +ATOM 14468 CB ALA B 378 163.671 207.735 221.958 1.00 20.78 C +ATOM 14469 H ALA B 378 161.686 208.185 220.570 1.00 19.94 H +ATOM 14470 HA ALA B 378 162.395 206.157 222.159 1.00 21.34 H +ATOM 14471 HB1 ALA B 378 164.207 207.501 222.732 1.00 24.94 H +ATOM 14472 HB2 ALA B 378 164.085 207.388 221.152 1.00 24.94 H +ATOM 14473 HB3 ALA B 378 163.582 208.699 221.897 1.00 24.94 H +ATOM 14474 N ALA B 379 161.704 206.755 224.427 1.00 24.53 N +ATOM 14475 CA ALA B 379 161.152 207.093 225.730 1.00 17.61 C +ATOM 14476 C ALA B 379 161.846 208.318 226.310 1.00 22.81 C +ATOM 14477 O ALA B 379 161.226 209.120 227.007 1.00 24.43 O +ATOM 14478 CB ALA B 379 161.281 205.914 226.677 1.00 22.43 C +ATOM 14479 H ALA B 379 162.064 205.974 224.393 1.00 29.44 H +ATOM 14480 HA ALA B 379 160.210 207.299 225.631 1.00 21.13 H +ATOM 14481 HB1 ALA B 379 160.908 206.159 227.538 1.00 26.91 H +ATOM 14482 HB2 ALA B 379 160.795 205.159 226.308 1.00 26.91 H +ATOM 14483 HB3 ALA B 379 162.219 205.688 226.774 1.00 26.91 H +ATOM 14484 N GLU B 380 163.133 208.461 226.021 1.00 27.29 N +ATOM 14485 CA GLU B 380 163.902 209.592 226.521 1.00 24.39 C +ATOM 14486 C GLU B 380 163.470 210.892 225.851 1.00 29.24 C +ATOM 14487 O GLU B 380 163.556 211.964 226.451 1.00 29.33 O +ATOM 14488 CB GLU B 380 165.397 209.360 226.311 1.00 27.64 C +ATOM 14489 CG GLU B 380 165.936 208.158 227.072 1.00 30.41 C +ATOM 14490 CD GLU B 380 166.159 206.938 226.190 1.00 31.02 C +ATOM 14491 OE1 GLU B 380 165.482 206.808 225.150 1.00 20.17 O +ATOM 14492 OE2 GLU B 380 167.019 206.105 226.544 1.00 25.72 O +ATOM 14493 H GLU B 380 163.587 207.916 225.535 1.00 32.74 H +ATOM 14494 HA GLU B 380 163.745 209.682 227.475 1.00 29.27 H +ATOM 14495 HB2 GLU B 380 165.561 209.212 225.367 1.00 33.17 H +ATOM 14496 HB3 GLU B 380 165.882 210.144 226.611 1.00 33.17 H +ATOM 14497 HG2 GLU B 380 166.787 208.396 227.473 1.00 36.49 H +ATOM 14498 HG3 GLU B 380 165.302 207.914 227.764 1.00 36.49 H +ATOM 14499 N PHE B 381 163.016 210.795 224.605 1.00 25.58 N +ATOM 14500 CA PHE B 381 162.482 211.953 223.901 1.00 26.10 C +ATOM 14501 C PHE B 381 161.222 212.427 224.615 1.00 23.90 C +ATOM 14502 O PHE B 381 160.988 213.623 224.762 1.00 20.21 O +ATOM 14503 CB PHE B 381 162.178 211.606 222.442 1.00 23.41 C +ATOM 14504 CG PHE B 381 161.873 212.797 221.571 1.00 17.38 C +ATOM 14505 CD1 PHE B 381 162.486 214.019 221.788 1.00 25.14 C +ATOM 14506 CD2 PHE B 381 160.976 212.686 220.523 1.00 21.97 C +ATOM 14507 CE1 PHE B 381 162.207 215.102 220.981 1.00 17.28 C +ATOM 14508 CE2 PHE B 381 160.697 213.767 219.713 1.00 19.17 C +ATOM 14509 CZ PHE B 381 161.312 214.976 219.944 1.00 20.75 C +ATOM 14510 H PHE B 381 163.007 210.068 224.146 1.00 30.69 H +ATOM 14511 HA PHE B 381 163.133 212.671 223.917 1.00 31.32 H +ATOM 14512 HB2 PHE B 381 162.948 211.154 222.063 1.00 28.09 H +ATOM 14513 HB3 PHE B 381 161.408 211.017 222.416 1.00 28.09 H +ATOM 14514 HD1 PHE B 381 163.092 214.111 222.487 1.00 30.17 H +ATOM 14515 HD2 PHE B 381 160.558 211.871 220.361 1.00 26.37 H +ATOM 14516 HE1 PHE B 381 162.623 215.918 221.139 1.00 20.73 H +ATOM 14517 HE2 PHE B 381 160.090 213.680 219.013 1.00 23.01 H +ATOM 14518 HZ PHE B 381 161.123 215.707 219.401 1.00 24.90 H +ATOM 14519 N ASN B 382 160.412 211.471 225.053 1.00 27.75 N +ATOM 14520 CA ASN B 382 159.213 211.763 225.827 1.00 26.50 C +ATOM 14521 C ASN B 382 159.587 212.443 227.138 1.00 26.56 C +ATOM 14522 O ASN B 382 159.006 213.461 227.500 1.00 33.64 O +ATOM 14523 CB ASN B 382 158.420 210.471 226.075 1.00 29.47 C +ATOM 14524 CG ASN B 382 157.133 210.694 226.857 1.00 30.62 C +ATOM 14525 OD1 ASN B 382 157.119 211.353 227.892 1.00 42.70 O +ATOM 14526 ND2 ASN B 382 156.045 210.126 226.363 1.00 37.36 N +ATOM 14527 H ASN B 382 160.537 210.632 224.913 1.00 33.30 H +ATOM 14528 HA ASN B 382 158.649 212.371 225.322 1.00 31.80 H +ATOM 14529 HB2 ASN B 382 158.185 210.078 225.220 1.00 35.36 H +ATOM 14530 HB3 ASN B 382 158.973 209.856 226.581 1.00 35.36 H +ATOM 14531 HD21 ASN B 382 155.290 210.220 226.765 1.00 44.83 H +ATOM 14532 HD22 ASN B 382 156.092 209.662 225.641 1.00 44.83 H +ATOM 14533 N THR B 383 160.574 211.887 227.830 1.00 33.48 N +ATOM 14534 CA THR B 383 160.995 212.398 229.132 1.00 25.99 C +ATOM 14535 C THR B 383 161.502 213.838 229.071 1.00 26.90 C +ATOM 14536 O THR B 383 161.129 214.665 229.902 1.00 29.86 O +ATOM 14537 CB THR B 383 162.098 211.508 229.739 1.00 25.37 C +ATOM 14538 OG1 THR B 383 161.567 210.201 229.985 1.00 28.06 O +ATOM 14539 CG2 THR B 383 162.630 212.088 231.056 1.00 26.01 C +ATOM 14540 H THR B 383 161.022 211.203 227.565 1.00 40.18 H +ATOM 14541 HA THR B 383 160.234 212.379 229.734 1.00 31.18 H +ATOM 14542 HB THR B 383 162.837 211.442 229.115 1.00 30.44 H +ATOM 14543 HG1 THR B 383 160.922 210.249 230.521 1.00 33.68 H +ATOM 14544 HG21 THR B 383 163.321 211.511 231.417 1.00 31.21 H +ATOM 14545 HG22 THR B 383 163.004 212.970 230.902 1.00 31.21 H +ATOM 14546 HG23 THR B 383 161.909 212.160 231.701 1.00 31.21 H +ATOM 14547 N LEU B 384 162.355 214.138 228.097 1.00 26.20 N +ATOM 14548 CA LEU B 384 162.947 215.468 227.998 1.00 30.16 C +ATOM 14549 C LEU B 384 161.920 216.512 227.557 1.00 28.54 C +ATOM 14550 O LEU B 384 162.145 217.709 227.719 1.00 30.77 O +ATOM 14551 CB LEU B 384 164.140 215.459 227.031 1.00 27.06 C +ATOM 14552 CG LEU B 384 163.862 215.249 225.539 1.00 28.87 C +ATOM 14553 CD1 LEU B 384 163.653 216.575 224.818 1.00 25.06 C +ATOM 14554 CD2 LEU B 384 165.009 214.483 224.893 1.00 32.07 C +ATOM 14555 H LEU B 384 162.606 213.592 227.482 1.00 31.44 H +ATOM 14556 HA LEU B 384 163.276 215.728 228.873 1.00 36.19 H +ATOM 14557 HB2 LEU B 384 164.596 216.311 227.115 1.00 32.47 H +ATOM 14558 HB3 LEU B 384 164.741 214.751 227.307 1.00 32.47 H +ATOM 14559 HG LEU B 384 163.054 214.722 225.439 1.00 34.64 H +ATOM 14560 HD11 LEU B 384 163.481 216.399 223.879 1.00 30.07 H +ATOM 14561 HD12 LEU B 384 162.895 217.033 225.213 1.00 30.07 H +ATOM 14562 HD13 LEU B 384 164.453 217.115 224.912 1.00 30.07 H +ATOM 14563 HD21 LEU B 384 164.815 214.361 223.951 1.00 38.49 H +ATOM 14564 HD22 LEU B 384 165.828 214.993 225.000 1.00 38.49 H +ATOM 14565 HD23 LEU B 384 165.097 213.621 225.329 1.00 38.49 H +ATOM 14566 N TYR B 385 160.794 216.064 227.008 1.00 33.25 N +ATOM 14567 CA TYR B 385 159.787 216.989 226.490 1.00 36.20 C +ATOM 14568 C TYR B 385 158.735 217.377 227.531 1.00 34.65 C +ATOM 14569 O TYR B 385 157.748 218.031 227.202 1.00 29.14 O +ATOM 14570 CB TYR B 385 159.094 216.398 225.262 1.00 25.48 C +ATOM 14571 CG TYR B 385 159.140 217.321 224.068 1.00 30.68 C +ATOM 14572 CD1 TYR B 385 159.753 216.934 222.885 1.00 31.59 C +ATOM 14573 CD2 TYR B 385 158.592 218.593 224.136 1.00 32.51 C +ATOM 14574 CE1 TYR B 385 159.803 217.787 221.798 1.00 29.06 C +ATOM 14575 CE2 TYR B 385 158.638 219.447 223.060 1.00 30.66 C +ATOM 14576 CZ TYR B 385 159.244 219.042 221.894 1.00 30.49 C +ATOM 14577 OH TYR B 385 159.288 219.901 220.823 1.00 27.86 O +ATOM 14578 H TYR B 385 160.589 215.233 226.923 1.00 39.89 H +ATOM 14579 HA TYR B 385 160.233 217.803 226.210 1.00 43.44 H +ATOM 14580 HB2 TYR B 385 159.535 215.569 225.018 1.00 30.58 H +ATOM 14581 HB3 TYR B 385 158.163 216.229 225.475 1.00 30.58 H +ATOM 14582 HD1 TYR B 385 160.131 216.086 222.820 1.00 37.91 H +ATOM 14583 HD2 TYR B 385 158.181 218.872 224.922 1.00 39.01 H +ATOM 14584 HE1 TYR B 385 160.213 217.516 221.008 1.00 34.87 H +ATOM 14585 HE2 TYR B 385 158.262 220.295 223.120 1.00 36.80 H +ATOM 14586 HH TYR B 385 159.682 219.536 220.178 1.00 33.43 H +ATOM 14587 N HIS B 386 158.945 216.987 228.781 1.00 31.27 N +ATOM 14588 CA HIS B 386 158.063 217.427 229.853 1.00 46.68 C +ATOM 14589 C HIS B 386 158.390 218.875 230.206 1.00 48.14 C +ATOM 14590 O HIS B 386 159.014 219.154 231.227 1.00 49.40 O +ATOM 14591 CB HIS B 386 158.195 216.517 231.073 1.00 58.70 C +ATOM 14592 CG HIS B 386 157.536 215.183 230.899 1.00 50.23 C +ATOM 14593 ND1 HIS B 386 156.334 214.863 231.491 1.00 71.18 N +ATOM 14594 CD2 HIS B 386 157.904 214.095 230.183 1.00 43.79 C +ATOM 14595 CE1 HIS B 386 155.994 213.631 231.155 1.00 64.10 C +ATOM 14596 NE2 HIS B 386 156.930 213.144 230.361 1.00 46.80 N +ATOM 14597 H HIS B 386 159.586 216.472 229.034 1.00 37.52 H +ATOM 14598 HA HIS B 386 157.144 217.390 229.545 1.00 56.01 H +ATOM 14599 HB2 HIS B 386 159.136 216.363 231.250 1.00 70.44 H +ATOM 14600 HB3 HIS B 386 157.784 216.954 231.836 1.00 70.44 H +ATOM 14601 HD2 HIS B 386 158.674 214.007 229.669 1.00 52.54 H +ATOM 14602 HE1 HIS B 386 155.227 213.184 231.430 1.00 76.92 H +ATOM 14603 HE2 HIS B 386 156.930 212.357 230.013 1.00 56.16 H +ATOM 14604 N TRP B 387 157.967 219.788 229.334 1.00 47.01 N +ATOM 14605 CA TRP B 387 158.273 221.208 229.469 1.00 52.37 C +ATOM 14606 C TRP B 387 157.179 221.946 230.220 1.00 51.00 C +ATOM 14607 O TRP B 387 156.635 222.931 229.726 1.00 43.90 O +ATOM 14608 CB TRP B 387 158.454 221.852 228.096 1.00 47.55 C +ATOM 14609 CG TRP B 387 159.585 221.311 227.297 1.00 39.95 C +ATOM 14610 CD1 TRP B 387 160.542 220.433 227.711 1.00 34.63 C +ATOM 14611 CD2 TRP B 387 159.882 221.620 225.935 1.00 41.34 C +ATOM 14612 NE1 TRP B 387 161.418 220.173 226.687 1.00 33.24 N +ATOM 14613 CE2 TRP B 387 161.034 220.890 225.584 1.00 39.20 C +ATOM 14614 CE3 TRP B 387 159.285 222.442 224.976 1.00 32.03 C +ATOM 14615 CZ2 TRP B 387 161.599 220.956 224.314 1.00 35.31 C +ATOM 14616 CZ3 TRP B 387 159.847 222.508 223.719 1.00 42.08 C +ATOM 14617 CH2 TRP B 387 160.994 221.770 223.398 1.00 39.80 C +ATOM 14618 H TRP B 387 157.492 219.604 228.641 1.00 56.41 H +ATOM 14619 HA TRP B 387 159.102 221.310 229.964 1.00 62.84 H +ATOM 14620 HB2 TRP B 387 157.642 221.718 227.582 1.00 57.06 H +ATOM 14621 HB3 TRP B 387 158.609 222.802 228.218 1.00 57.06 H +ATOM 14622 HD1 TRP B 387 160.593 220.063 228.563 1.00 41.55 H +ATOM 14623 HE1 TRP B 387 162.096 219.646 226.730 1.00 39.89 H +ATOM 14624 HE3 TRP B 387 158.523 222.935 225.181 1.00 38.43 H +ATOM 14625 HZ2 TRP B 387 162.361 220.469 224.098 1.00 42.38 H +ATOM 14626 HZ3 TRP B 387 159.458 223.052 223.072 1.00 50.49 H +ATOM 14627 HH2 TRP B 387 161.351 221.835 222.541 1.00 47.76 H +ATOM 14628 N HIS B 388 156.854 221.474 231.414 1.00 63.28 N +ATOM 14629 CA HIS B 388 155.806 222.098 232.204 1.00 67.85 C +ATOM 14630 C HIS B 388 156.230 223.432 232.836 1.00 62.15 C +ATOM 14631 O HIS B 388 155.372 224.215 233.235 1.00 55.61 O +ATOM 14632 CB HIS B 388 155.327 221.118 233.272 1.00 61.66 C +ATOM 14633 CG HIS B 388 154.627 219.923 232.702 1.00 67.86 C +ATOM 14634 ND1 HIS B 388 155.191 218.666 232.682 1.00 59.39 N +ATOM 14635 CD2 HIS B 388 153.421 219.803 232.098 1.00 64.30 C +ATOM 14636 CE1 HIS B 388 154.356 217.821 232.104 1.00 74.53 C +ATOM 14637 NE2 HIS B 388 153.273 218.485 231.741 1.00 62.85 N +ATOM 14638 H HIS B 388 157.224 220.794 231.789 1.00 75.93 H +ATOM 14639 HA HIS B 388 155.054 222.282 231.620 1.00 81.42 H +ATOM 14640 HB2 HIS B 388 156.092 220.803 233.777 1.00 73.99 H +ATOM 14641 HB3 HIS B 388 154.706 221.574 233.862 1.00 73.99 H +ATOM 14642 HD1 HIS B 388 155.964 218.463 233.000 1.00 71.27 H +ATOM 14643 HD2 HIS B 388 152.804 220.485 231.958 1.00 77.16 H +ATOM 14644 HE1 HIS B 388 154.504 216.912 231.977 1.00 89.44 H +ATOM 14645 N PRO B 389 157.545 223.706 232.926 1.00 47.52 N +ATOM 14646 CA PRO B 389 157.887 225.064 233.359 1.00 47.28 C +ATOM 14647 C PRO B 389 157.447 226.145 232.367 1.00 43.89 C +ATOM 14648 O PRO B 389 157.447 227.320 232.728 1.00 41.24 O +ATOM 14649 CB PRO B 389 159.413 225.023 233.471 1.00 44.95 C +ATOM 14650 CG PRO B 389 159.742 223.597 233.695 1.00 41.91 C +ATOM 14651 CD PRO B 389 158.726 222.822 232.926 1.00 45.47 C +ATOM 14652 HA PRO B 389 157.504 225.249 234.231 1.00 56.74 H +ATOM 14653 HB2 PRO B 389 159.810 225.342 232.645 1.00 53.94 H +ATOM 14654 HB3 PRO B 389 159.700 225.564 234.222 1.00 53.94 H +ATOM 14655 HG2 PRO B 389 160.635 223.413 233.363 1.00 50.29 H +ATOM 14656 HG3 PRO B 389 159.681 223.394 234.641 1.00 50.29 H +ATOM 14657 HD2 PRO B 389 159.033 222.670 232.018 1.00 54.56 H +ATOM 14658 HD3 PRO B 389 158.524 221.988 233.378 1.00 54.56 H +ATOM 14659 N LEU B 390 157.096 225.759 231.145 1.00 43.66 N +ATOM 14660 CA LEU B 390 156.537 226.695 230.171 1.00 45.44 C +ATOM 14661 C LEU B 390 155.248 227.314 230.691 1.00 49.77 C +ATOM 14662 O LEU B 390 154.915 228.454 230.362 1.00 43.52 O +ATOM 14663 CB LEU B 390 156.241 225.999 228.840 1.00 40.11 C +ATOM 14664 CG LEU B 390 157.371 225.700 227.856 1.00 43.07 C +ATOM 14665 CD1 LEU B 390 156.807 224.906 226.694 1.00 41.65 C +ATOM 14666 CD2 LEU B 390 158.022 226.973 227.359 1.00 34.51 C +ATOM 14667 H LEU B 390 157.173 224.954 230.851 1.00 52.39 H +ATOM 14668 HA LEU B 390 157.174 227.408 230.009 1.00 54.52 H +ATOM 14669 HB2 LEU B 390 155.825 225.147 229.046 1.00 48.13 H +ATOM 14670 HB3 LEU B 390 155.601 226.549 228.362 1.00 48.13 H +ATOM 14671 HG LEU B 390 158.048 225.161 228.296 1.00 51.69 H +ATOM 14672 HD11 LEU B 390 157.522 224.715 226.067 1.00 49.98 H +ATOM 14673 HD12 LEU B 390 156.431 224.078 227.030 1.00 49.98 H +ATOM 14674 HD13 LEU B 390 156.117 225.432 226.259 1.00 49.98 H +ATOM 14675 HD21 LEU B 390 158.732 226.743 226.739 1.00 41.41 H +ATOM 14676 HD22 LEU B 390 157.354 227.515 226.911 1.00 41.41 H +ATOM 14677 HD23 LEU B 390 158.388 227.457 228.116 1.00 41.41 H +ATOM 14678 N LEU B 391 154.521 226.543 231.489 1.00 53.94 N +ATOM 14679 CA LEU B 391 153.181 226.924 231.905 1.00 58.13 C +ATOM 14680 C LEU B 391 153.191 228.125 232.857 1.00 62.47 C +ATOM 14681 O LEU B 391 154.053 228.219 233.732 1.00 51.38 O +ATOM 14682 CB LEU B 391 152.492 225.738 232.571 1.00 54.72 C +ATOM 14683 CG LEU B 391 152.252 224.511 231.694 1.00 48.88 C +ATOM 14684 CD1 LEU B 391 151.794 223.336 232.544 1.00 53.20 C +ATOM 14685 CD2 LEU B 391 151.228 224.819 230.616 1.00 54.71 C +ATOM 14686 H LEU B 391 154.783 225.787 231.805 1.00 64.73 H +ATOM 14687 HA LEU B 391 152.666 227.169 231.121 1.00 69.75 H +ATOM 14688 HB2 LEU B 391 153.036 225.453 233.322 1.00 65.67 H +ATOM 14689 HB3 LEU B 391 151.627 226.032 232.895 1.00 65.67 H +ATOM 14690 HG LEU B 391 153.083 224.263 231.259 1.00 58.66 H +ATOM 14691 HD11 LEU B 391 151.648 222.569 231.969 1.00 63.84 H +ATOM 14692 HD12 LEU B 391 152.481 223.134 233.198 1.00 63.84 H +ATOM 14693 HD13 LEU B 391 150.969 223.575 232.993 1.00 63.84 H +ATOM 14694 HD21 LEU B 391 151.093 224.026 230.074 1.00 65.65 H +ATOM 14695 HD22 LEU B 391 150.394 225.077 231.039 1.00 65.65 H +ATOM 14696 HD23 LEU B 391 151.559 225.545 230.065 1.00 65.65 H +ATOM 14697 N PRO B 392 152.226 229.049 232.693 1.00 60.00 N +ATOM 14698 CA PRO B 392 152.131 230.233 233.555 1.00 55.48 C +ATOM 14699 C PRO B 392 151.386 229.957 234.857 1.00 53.23 C +ATOM 14700 O PRO B 392 150.887 228.852 235.058 1.00 53.00 O +ATOM 14701 CB PRO B 392 151.357 231.220 232.687 1.00 59.94 C +ATOM 14702 CG PRO B 392 150.446 230.351 231.890 1.00 59.97 C +ATOM 14703 CD PRO B 392 151.193 229.066 231.640 1.00 62.85 C +ATOM 14704 HA PRO B 392 153.013 230.588 233.749 1.00 66.58 H +ATOM 14705 HB2 PRO B 392 150.853 231.829 233.248 1.00 71.93 H +ATOM 14706 HB3 PRO B 392 151.969 231.704 232.110 1.00 71.93 H +ATOM 14707 HG2 PRO B 392 149.637 230.180 232.397 1.00 71.96 H +ATOM 14708 HG3 PRO B 392 150.234 230.788 231.050 1.00 71.96 H +ATOM 14709 HD2 PRO B 392 150.598 228.305 231.739 1.00 75.42 H +ATOM 14710 HD3 PRO B 392 151.606 229.081 230.763 1.00 75.42 H +ATOM 14711 N ASP B 393 151.312 230.955 235.730 1.00 55.09 N +ATOM 14712 CA ASP B 393 150.573 230.820 236.980 1.00 62.02 C +ATOM 14713 C ASP B 393 149.078 231.015 236.741 1.00 53.49 C +ATOM 14714 O ASP B 393 148.250 230.419 237.428 1.00 61.41 O +ATOM 14715 CB ASP B 393 151.087 231.819 238.017 1.00 63.62 C +ATOM 14716 CG ASP B 393 152.478 231.475 238.518 1.00 74.00 C +ATOM 14717 OD1 ASP B 393 152.791 230.271 238.644 1.00 57.21 O +ATOM 14718 OD2 ASP B 393 153.258 232.412 238.787 1.00 62.03 O +ATOM 14719 H ASP B 393 151.681 231.724 235.621 1.00 66.11 H +ATOM 14720 HA ASP B 393 150.707 229.926 237.331 1.00 74.43 H +ATOM 14721 HB2 ASP B 393 151.122 232.702 237.616 1.00 76.35 H +ATOM 14722 HB3 ASP B 393 150.486 231.823 238.778 1.00 76.35 H +ATOM 14723 N THR B 394 148.742 231.852 235.764 1.00 48.05 N +ATOM 14724 CA THR B 394 147.361 232.023 235.330 1.00 61.56 C +ATOM 14725 C THR B 394 147.321 232.255 233.824 1.00 60.37 C +ATOM 14726 O THR B 394 148.308 232.688 233.230 1.00 57.53 O +ATOM 14727 CB THR B 394 146.663 233.204 236.041 1.00 65.88 C +ATOM 14728 OG1 THR B 394 147.348 234.426 235.740 1.00 74.83 O +ATOM 14729 CG2 THR B 394 146.639 232.992 237.547 1.00 55.23 C +ATOM 14730 H THR B 394 149.305 232.339 235.333 1.00 57.66 H +ATOM 14731 HA THR B 394 146.862 231.214 235.525 1.00 73.87 H +ATOM 14732 HB THR B 394 145.747 233.267 235.729 1.00 79.05 H +ATOM 14733 HG1 THR B 394 146.970 235.069 236.126 1.00 89.79 H +ATOM 14734 HG21 THR B 394 146.198 233.741 237.979 1.00 66.27 H +ATOM 14735 HG22 THR B 394 146.157 232.177 237.759 1.00 66.27 H +ATOM 14736 HG23 THR B 394 147.545 232.921 237.886 1.00 66.27 H +ATOM 14737 N PHE B 395 146.176 231.961 233.215 1.00 54.74 N +ATOM 14738 CA PHE B 395 145.990 232.142 231.779 1.00 59.97 C +ATOM 14739 C PHE B 395 145.164 233.393 231.505 1.00 55.15 C +ATOM 14740 O PHE B 395 144.079 233.564 232.055 1.00 66.36 O +ATOM 14741 CB PHE B 395 145.315 230.914 231.170 1.00 62.19 C +ATOM 14742 CG PHE B 395 146.038 229.628 231.449 1.00 66.73 C +ATOM 14743 CD1 PHE B 395 146.967 229.130 230.550 1.00 50.57 C +ATOM 14744 CD2 PHE B 395 145.798 228.922 232.615 1.00 59.84 C +ATOM 14745 CE1 PHE B 395 147.635 227.949 230.808 1.00 51.55 C +ATOM 14746 CE2 PHE B 395 146.465 227.742 232.876 1.00 62.94 C +ATOM 14747 CZ PHE B 395 147.384 227.256 231.972 1.00 51.86 C +ATOM 14748 H PHE B 395 145.483 231.650 233.618 1.00 65.69 H +ATOM 14749 HA PHE B 395 146.856 232.252 231.357 1.00 71.96 H +ATOM 14750 HB2 PHE B 395 144.419 230.836 231.535 1.00 74.63 H +ATOM 14751 HB3 PHE B 395 145.269 231.027 230.208 1.00 74.63 H +ATOM 14752 HD1 PHE B 395 147.139 229.594 229.763 1.00 60.69 H +ATOM 14753 HD2 PHE B 395 145.179 229.246 233.229 1.00 71.81 H +ATOM 14754 HE1 PHE B 395 148.255 227.623 230.196 1.00 61.86 H +ATOM 14755 HE2 PHE B 395 146.294 227.275 233.662 1.00 75.53 H +ATOM 14756 HZ PHE B 395 147.833 226.461 232.146 1.00 62.23 H +ATOM 14757 N GLN B 396 145.693 234.262 230.651 1.00 55.37 N +ATOM 14758 CA GLN B 396 145.050 235.530 230.327 1.00 59.53 C +ATOM 14759 C GLN B 396 144.401 235.479 228.950 1.00 64.76 C +ATOM 14760 O GLN B 396 145.095 235.455 227.937 1.00 67.10 O +ATOM 14761 CB GLN B 396 146.073 236.668 230.379 1.00 74.27 C +ATOM 14762 CG GLN B 396 146.686 236.885 231.758 1.00 90.58 C +ATOM 14763 CD GLN B 396 148.115 237.393 231.698 1.00 99.54 C +ATOM 14764 OE1 GLN B 396 148.564 237.909 230.674 1.00100.60 O +ATOM 14765 NE2 GLN B 396 148.839 237.244 232.801 1.00103.74 N +ATOM 14766 H GLN B 396 146.438 234.138 230.239 1.00 66.44 H +ATOM 14767 HA GLN B 396 144.359 235.714 230.982 1.00 71.44 H +ATOM 14768 HB2 GLN B 396 146.794 236.467 229.762 1.00 89.12 H +ATOM 14769 HB3 GLN B 396 145.635 237.493 230.116 1.00 89.12 H +ATOM 14770 HG2 GLN B 396 146.156 237.539 232.239 1.00108.70 H +ATOM 14771 HG3 GLN B 396 146.688 236.042 232.238 1.00108.70 H +ATOM 14772 HE21 GLN B 396 148.493 236.876 233.497 1.00124.49 H +ATOM 14773 HE22 GLN B 396 149.655 237.515 232.820 1.00124.49 H +ATOM 14774 N ILE B 397 143.071 235.448 228.920 1.00 75.32 N +ATOM 14775 CA ILE B 397 142.321 235.541 227.669 1.00 93.67 C +ATOM 14776 C ILE B 397 141.581 236.872 227.633 1.00 93.94 C +ATOM 14777 O ILE B 397 140.782 237.172 228.517 1.00 90.26 O +ATOM 14778 CB ILE B 397 141.306 234.396 227.496 1.00 79.91 C +ATOM 14779 CG1 ILE B 397 141.940 233.039 227.820 1.00 70.08 C +ATOM 14780 CG2 ILE B 397 140.745 234.403 226.076 1.00 63.53 C +ATOM 14781 CD1 ILE B 397 143.041 232.623 226.882 1.00 70.44 C +ATOM 14782 H ILE B 397 142.574 235.373 229.618 1.00 90.38 H +ATOM 14783 HA ILE B 397 142.940 235.515 226.922 1.00112.40 H +ATOM 14784 HB ILE B 397 140.572 234.545 228.114 1.00 95.89 H +ATOM 14785 HG12 ILE B 397 142.315 233.077 228.714 1.00 84.10 H +ATOM 14786 HG13 ILE B 397 141.251 232.358 227.785 1.00 84.10 H +ATOM 14787 HG21 ILE B 397 140.109 233.677 225.985 1.00 76.24 H +ATOM 14788 HG22 ILE B 397 140.305 235.252 225.915 1.00 76.24 H +ATOM 14789 HG23 ILE B 397 141.475 234.284 225.449 1.00 76.24 H +ATOM 14790 HD11 ILE B 397 143.383 231.759 227.160 1.00 84.52 H +ATOM 14791 HD12 ILE B 397 142.683 232.564 225.982 1.00 84.52 H +ATOM 14792 HD13 ILE B 397 143.750 233.285 226.914 1.00 84.52 H +ATOM 14793 N HIS B 398 141.856 237.659 226.599 1.00 88.35 N +ATOM 14794 CA HIS B 398 141.304 239.000 226.471 1.00104.68 C +ATOM 14795 C HIS B 398 141.664 239.845 227.698 1.00 97.27 C +ATOM 14796 O HIS B 398 142.773 240.369 227.784 1.00114.09 O +ATOM 14797 CB HIS B 398 139.787 238.949 226.261 1.00114.51 C +ATOM 14798 CG HIS B 398 139.190 240.263 225.860 1.00107.52 C +ATOM 14799 ND1 HIS B 398 139.940 241.413 225.737 1.00107.74 N +ATOM 14800 CD2 HIS B 398 137.919 240.608 225.545 1.00107.07 C +ATOM 14801 CE1 HIS B 398 139.157 242.410 225.368 1.00 83.63 C +ATOM 14802 NE2 HIS B 398 137.926 241.949 225.244 1.00 97.75 N +ATOM 14803 H HIS B 398 142.370 237.433 225.947 1.00106.03 H +ATOM 14804 HA HIS B 398 141.697 239.426 225.693 1.00125.62 H +ATOM 14805 HB2 HIS B 398 139.590 238.308 225.560 1.00137.41 H +ATOM 14806 HB3 HIS B 398 139.366 238.672 227.089 1.00137.41 H +ATOM 14807 HD2 HIS B 398 137.180 240.043 225.535 1.00128.48 H +ATOM 14808 HE1 HIS B 398 139.426 243.288 225.221 1.00100.35 H +ATOM 14809 HE2 HIS B 398 137.239 242.412 225.013 1.00117.30 H +ATOM 14810 N ASP B 399 140.737 239.969 228.644 1.00 91.23 N +ATOM 14811 CA ASP B 399 140.944 240.791 229.834 1.00 86.09 C +ATOM 14812 C ASP B 399 140.578 240.030 231.106 1.00 77.84 C +ATOM 14813 O ASP B 399 140.419 240.631 232.170 1.00105.30 O +ATOM 14814 CB ASP B 399 140.121 242.077 229.736 1.00102.39 C +ATOM 14815 CG ASP B 399 138.649 241.809 229.492 1.00114.63 C +ATOM 14816 OD1 ASP B 399 138.324 240.730 228.954 1.00116.05 O +ATOM 14817 OD2 ASP B 399 137.822 242.679 229.834 1.00120.41 O +ATOM 14818 H ASP B 399 139.970 239.582 228.620 1.00109.47 H +ATOM 14819 HA ASP B 399 141.881 241.037 229.889 1.00103.31 H +ATOM 14820 HB2 ASP B 399 140.203 242.569 230.568 1.00122.86 H +ATOM 14821 HB3 ASP B 399 140.456 242.612 228.999 1.00122.86 H +ATOM 14822 N GLN B 400 140.449 238.710 230.992 1.00 85.49 N +ATOM 14823 CA GLN B 400 140.109 237.860 232.129 1.00 78.77 C +ATOM 14824 C GLN B 400 141.260 236.918 232.467 1.00 67.45 C +ATOM 14825 O GLN B 400 141.987 236.469 231.581 1.00 75.69 O +ATOM 14826 CB GLN B 400 138.843 237.051 231.839 1.00 74.36 C +ATOM 14827 CG GLN B 400 137.643 237.898 231.436 1.00 90.21 C +ATOM 14828 CD GLN B 400 136.356 237.096 231.369 1.00 77.48 C +ATOM 14829 OE1 GLN B 400 136.057 236.305 232.263 1.00 79.28 O +ATOM 14830 NE2 GLN B 400 135.590 237.293 230.303 1.00 77.25 N +ATOM 14831 H GLN B 400 140.554 238.278 230.256 1.00102.59 H +ATOM 14832 HA GLN B 400 139.939 238.419 232.903 1.00 94.52 H +ATOM 14833 HB2 GLN B 400 139.027 236.435 231.113 1.00 89.23 H +ATOM 14834 HB3 GLN B 400 138.601 236.555 232.636 1.00 89.23 H +ATOM 14835 HG2 GLN B 400 137.522 238.606 232.088 1.00108.26 H +ATOM 14836 HG3 GLN B 400 137.805 238.280 230.559 1.00108.26 H +ATOM 14837 HE21 GLN B 400 135.833 237.852 229.696 1.00 92.70 H +ATOM 14838 HE22 GLN B 400 134.851 236.862 230.219 1.00 92.70 H +ATOM 14839 N LYS B 401 141.419 236.628 233.755 1.00 62.99 N +ATOM 14840 CA LYS B 401 142.443 235.700 234.226 1.00 55.66 C +ATOM 14841 C LYS B 401 141.806 234.423 234.758 1.00 61.07 C +ATOM 14842 O LYS B 401 140.772 234.469 235.423 1.00 60.39 O +ATOM 14843 CB LYS B 401 143.305 236.347 235.313 1.00 61.80 C +ATOM 14844 CG LYS B 401 144.216 237.459 234.808 1.00 80.43 C +ATOM 14845 CD LYS B 401 145.236 237.858 235.865 1.00 95.90 C +ATOM 14846 CE LYS B 401 146.169 238.949 235.363 1.00106.65 C +ATOM 14847 NZ LYS B 401 145.464 240.245 235.168 1.00114.19 N +ATOM 14848 H LYS B 401 140.938 236.961 234.386 1.00 75.58 H +ATOM 14849 HA LYS B 401 143.022 235.463 233.484 1.00 66.79 H +ATOM 14850 HB2 LYS B 401 142.722 236.728 235.988 1.00 74.16 H +ATOM 14851 HB3 LYS B 401 143.867 235.664 235.713 1.00 74.16 H +ATOM 14852 HG2 LYS B 401 144.694 237.150 234.023 1.00 96.52 H +ATOM 14853 HG3 LYS B 401 143.681 238.238 234.591 1.00 96.52 H +ATOM 14854 HD2 LYS B 401 144.772 238.192 236.647 1.00115.08 H +ATOM 14855 HD3 LYS B 401 145.773 237.084 236.098 1.00115.08 H +ATOM 14856 HE2 LYS B 401 146.877 239.086 236.012 1.00127.99 H +ATOM 14857 HE3 LYS B 401 146.545 238.679 234.511 1.00127.99 H +ATOM 14858 HZ1 LYS B 401 146.036 240.861 234.875 1.00137.03 H +ATOM 14859 HZ2 LYS B 401 144.811 240.149 234.570 1.00137.03 H +ATOM 14860 HZ3 LYS B 401 145.113 240.520 235.938 1.00137.03 H +ATOM 14861 N TYR B 402 142.428 233.289 234.454 1.00 64.33 N +ATOM 14862 CA TYR B 402 141.938 231.988 234.899 1.00 52.93 C +ATOM 14863 C TYR B 402 143.027 231.205 235.621 1.00 55.83 C +ATOM 14864 O TYR B 402 144.126 231.042 235.095 1.00 65.95 O +ATOM 14865 CB TYR B 402 141.430 231.171 233.710 1.00 54.07 C +ATOM 14866 CG TYR B 402 140.362 231.858 232.897 1.00 58.07 C +ATOM 14867 CD1 TYR B 402 139.027 231.795 233.274 1.00 54.82 C +ATOM 14868 CD2 TYR B 402 140.685 232.563 231.747 1.00 56.69 C +ATOM 14869 CE1 TYR B 402 138.047 232.419 232.533 1.00 53.26 C +ATOM 14870 CE2 TYR B 402 139.712 233.190 230.999 1.00 62.03 C +ATOM 14871 CZ TYR B 402 138.397 233.113 231.398 1.00 60.68 C +ATOM 14872 OH TYR B 402 137.424 233.735 230.658 1.00 53.20 O +ATOM 14873 H TYR B 402 143.147 233.245 233.984 1.00 77.19 H +ATOM 14874 HA TYR B 402 141.199 232.119 235.514 1.00 63.52 H +ATOM 14875 HB2 TYR B 402 142.176 230.984 233.119 1.00 64.89 H +ATOM 14876 HB3 TYR B 402 141.059 230.338 234.041 1.00 64.89 H +ATOM 14877 HD1 TYR B 402 138.790 231.326 234.042 1.00 65.78 H +ATOM 14878 HD2 TYR B 402 141.574 232.615 231.477 1.00 68.03 H +ATOM 14879 HE1 TYR B 402 137.157 232.371 232.797 1.00 63.91 H +ATOM 14880 HE2 TYR B 402 139.942 233.661 230.231 1.00 74.44 H +ATOM 14881 HH TYR B 402 137.769 234.120 229.996 1.00 63.84 H +ATOM 14882 N ASN B 403 142.725 230.720 236.822 1.00 53.26 N +ATOM 14883 CA ASN B 403 143.628 229.792 237.492 1.00 57.37 C +ATOM 14884 C ASN B 403 143.455 228.413 236.865 1.00 64.63 C +ATOM 14885 O ASN B 403 142.648 228.241 235.953 1.00 53.61 O +ATOM 14886 CB ASN B 403 143.388 229.759 239.013 1.00 62.07 C +ATOM 14887 CG ASN B 403 141.988 229.288 239.400 1.00 55.69 C +ATOM 14888 OD1 ASN B 403 141.365 228.482 238.714 1.00 59.48 O +ATOM 14889 ND2 ASN B 403 141.500 229.785 240.529 1.00 57.59 N +ATOM 14890 H ASN B 403 142.013 230.910 237.265 1.00 63.92 H +ATOM 14891 HA ASN B 403 144.543 230.077 237.341 1.00 68.84 H +ATOM 14892 HB2 ASN B 403 144.027 229.153 239.418 1.00 74.48 H +ATOM 14893 HB3 ASN B 403 143.510 230.653 239.369 1.00 74.48 H +ATOM 14894 HD21 ASN B 403 140.716 229.555 240.797 1.00 69.11 H +ATOM 14895 HD22 ASN B 403 141.969 230.336 240.994 1.00 69.11 H +ATOM 14896 N TYR B 404 144.211 227.433 237.343 1.00 69.91 N +ATOM 14897 CA TYR B 404 144.159 226.099 236.762 1.00 70.58 C +ATOM 14898 C TYR B 404 142.829 225.410 237.039 1.00 70.13 C +ATOM 14899 O TYR B 404 142.313 224.685 236.191 1.00 54.94 O +ATOM 14900 CB TYR B 404 145.312 225.249 237.289 1.00 62.78 C +ATOM 14901 CG TYR B 404 146.622 225.560 236.609 1.00 73.23 C +ATOM 14902 CD1 TYR B 404 147.368 226.670 236.977 1.00 77.80 C +ATOM 14903 CD2 TYR B 404 147.103 224.754 235.589 1.00 64.54 C +ATOM 14904 CE1 TYR B 404 148.559 226.963 236.353 1.00 57.16 C +ATOM 14905 CE2 TYR B 404 148.293 225.039 234.960 1.00 55.66 C +ATOM 14906 CZ TYR B 404 149.016 226.145 235.346 1.00 65.33 C +ATOM 14907 OH TYR B 404 150.203 226.435 234.725 1.00 58.62 O +ATOM 14908 H TYR B 404 144.760 227.514 238.000 1.00 83.89 H +ATOM 14909 HA TYR B 404 144.260 226.172 235.800 1.00 84.70 H +ATOM 14910 HB2 TYR B 404 145.420 225.416 238.239 1.00 75.34 H +ATOM 14911 HB3 TYR B 404 145.110 224.312 237.138 1.00 75.34 H +ATOM 14912 HD1 TYR B 404 147.060 227.224 237.657 1.00 93.36 H +ATOM 14913 HD2 TYR B 404 146.614 224.007 235.327 1.00 77.45 H +ATOM 14914 HE1 TYR B 404 149.052 227.708 236.611 1.00 68.59 H +ATOM 14915 HE2 TYR B 404 148.607 224.489 234.279 1.00 66.79 H +ATOM 14916 HH TYR B 404 150.539 227.131 235.056 1.00 70.34 H +ATOM 14917 N GLN B 405 142.278 225.652 238.224 1.00 82.92 N +ATOM 14918 CA GLN B 405 141.042 225.003 238.643 1.00 70.82 C +ATOM 14919 C GLN B 405 139.895 225.277 237.671 1.00 64.04 C +ATOM 14920 O GLN B 405 139.050 224.413 237.442 1.00 67.56 O +ATOM 14921 CB GLN B 405 140.651 225.471 240.045 1.00 85.35 C +ATOM 14922 CG GLN B 405 139.691 224.539 240.760 1.00 96.65 C +ATOM 14923 CD GLN B 405 140.361 223.259 241.217 1.00103.78 C +ATOM 14924 OE1 GLN B 405 140.258 222.221 240.562 1.00104.43 O +ATOM 14925 NE2 GLN B 405 141.053 223.327 242.348 1.00106.85 N +ATOM 14926 H GLN B 405 142.604 226.193 238.808 1.00 99.50 H +ATOM 14927 HA GLN B 405 141.184 224.044 238.676 1.00 84.98 H +ATOM 14928 HB2 GLN B 405 141.453 225.541 240.586 1.00102.42 H +ATOM 14929 HB3 GLN B 405 140.225 226.340 239.976 1.00102.42 H +ATOM 14930 HG2 GLN B 405 139.335 224.989 241.542 1.00115.98 H +ATOM 14931 HG3 GLN B 405 138.970 224.302 240.156 1.00115.98 H +ATOM 14932 HE21 GLN B 405 141.102 224.070 242.779 1.00128.22 H +ATOM 14933 HE22 GLN B 405 141.452 222.628 242.651 1.00128.22 H +ATOM 14934 N GLN B 406 139.875 226.479 237.105 1.00 56.30 N +ATOM 14935 CA GLN B 406 138.766 226.917 236.262 1.00 57.51 C +ATOM 14936 C GLN B 406 139.110 226.931 234.776 1.00 55.14 C +ATOM 14937 O GLN B 406 138.225 227.074 233.933 1.00 49.85 O +ATOM 14938 CB GLN B 406 138.303 228.310 236.704 1.00 67.25 C +ATOM 14939 CG GLN B 406 139.361 229.410 236.572 1.00 61.42 C +ATOM 14940 CD GLN B 406 139.179 230.589 237.541 1.00 62.55 C +ATOM 14941 OE1 GLN B 406 139.818 231.620 237.372 1.00 63.99 O +ATOM 14942 NE2 GLN B 406 138.324 230.446 238.551 1.00 68.85 N +ATOM 14943 H GLN B 406 140.497 227.065 237.194 1.00 67.56 H +ATOM 14944 HA GLN B 406 138.023 226.307 236.385 1.00 69.01 H +ATOM 14945 HB2 GLN B 406 137.541 228.570 236.163 1.00 80.70 H +ATOM 14946 HB3 GLN B 406 138.040 228.267 237.637 1.00 80.70 H +ATOM 14947 HG2 GLN B 406 140.234 229.023 236.741 1.00 73.70 H +ATOM 14948 HG3 GLN B 406 139.330 229.764 235.669 1.00 73.70 H +ATOM 14949 HE21 GLN B 406 137.892 229.709 238.647 1.00 82.63 H +ATOM 14950 HE22 GLN B 406 138.204 231.091 239.108 1.00 82.63 H +ATOM 14951 N PHE B 407 140.391 226.773 234.455 1.00 61.84 N +ATOM 14952 CA PHE B 407 140.837 226.744 233.064 1.00 59.05 C +ATOM 14953 C PHE B 407 140.797 225.324 232.504 1.00 53.23 C +ATOM 14954 O PHE B 407 140.437 225.114 231.348 1.00 53.99 O +ATOM 14955 CB PHE B 407 142.252 227.318 232.942 1.00 69.06 C +ATOM 14956 CG PHE B 407 142.708 227.521 231.524 1.00 69.08 C +ATOM 14957 CD1 PHE B 407 142.143 228.511 230.737 1.00 53.81 C +ATOM 14958 CD2 PHE B 407 143.713 226.734 230.984 1.00 69.37 C +ATOM 14959 CE1 PHE B 407 142.564 228.705 229.435 1.00 54.02 C +ATOM 14960 CE2 PHE B 407 144.141 226.927 229.682 1.00 51.20 C +ATOM 14961 CZ PHE B 407 143.565 227.911 228.908 1.00 54.05 C +ATOM 14962 H PHE B 407 141.026 226.679 235.027 1.00 74.21 H +ATOM 14963 HA PHE B 407 140.242 227.294 232.530 1.00 70.86 H +ATOM 14964 HB2 PHE B 407 142.279 228.178 233.388 1.00 82.88 H +ATOM 14965 HB3 PHE B 407 142.873 226.707 233.368 1.00 82.88 H +ATOM 14966 HD1 PHE B 407 141.469 229.048 231.087 1.00 64.57 H +ATOM 14967 HD2 PHE B 407 144.104 226.069 231.503 1.00 83.24 H +ATOM 14968 HE1 PHE B 407 142.176 229.371 228.914 1.00 64.82 H +ATOM 14969 HE2 PHE B 407 144.813 226.390 229.329 1.00 61.44 H +ATOM 14970 HZ PHE B 407 143.850 228.041 228.032 1.00 64.86 H +ATOM 14971 N ILE B 408 141.158 224.353 233.335 1.00 53.47 N +ATOM 14972 CA ILE B 408 141.216 222.955 232.917 1.00 62.77 C +ATOM 14973 C ILE B 408 139.826 222.381 232.634 1.00 64.99 C +ATOM 14974 O ILE B 408 138.888 222.581 233.404 1.00 60.72 O +ATOM 14975 CB ILE B 408 141.946 222.100 233.989 1.00 53.02 C +ATOM 14976 CG1 ILE B 408 143.427 221.964 233.630 1.00 54.79 C +ATOM 14977 CG2 ILE B 408 141.345 220.701 234.118 1.00 59.02 C +ATOM 14978 CD1 ILE B 408 144.147 223.283 233.442 1.00 62.17 C +ATOM 14979 H ILE B 408 141.377 224.478 234.158 1.00 64.16 H +ATOM 14980 HA ILE B 408 141.730 222.899 232.096 1.00 75.32 H +ATOM 14981 HB ILE B 408 141.874 222.549 234.846 1.00 63.63 H +ATOM 14982 HG12 ILE B 408 143.876 221.481 234.341 1.00 65.75 H +ATOM 14983 HG13 ILE B 408 143.501 221.468 232.800 1.00 65.75 H +ATOM 14984 HG21 ILE B 408 141.833 220.209 234.797 1.00 70.83 H +ATOM 14985 HG22 ILE B 408 140.412 220.780 234.374 1.00 70.83 H +ATOM 14986 HG23 ILE B 408 141.417 220.246 233.264 1.00 70.83 H +ATOM 14987 HD11 ILE B 408 145.074 223.108 233.218 1.00 74.61 H +ATOM 14988 HD12 ILE B 408 143.720 223.777 232.724 1.00 74.61 H +ATOM 14989 HD13 ILE B 408 144.096 223.790 234.268 1.00 74.61 H +ATOM 14990 N TYR B 409 139.718 221.672 231.511 1.00 80.41 N +ATOM 14991 CA TYR B 409 138.489 220.988 231.100 1.00 71.83 C +ATOM 14992 C TYR B 409 137.303 221.938 230.890 1.00 52.96 C +ATOM 14993 O TYR B 409 136.159 221.497 230.838 1.00 66.17 O +ATOM 14994 CB TYR B 409 138.109 219.904 232.124 1.00 72.83 C +ATOM 14995 CG TYR B 409 138.930 218.637 232.017 1.00 63.13 C +ATOM 14996 CD1 TYR B 409 138.955 217.902 230.841 1.00 68.38 C +ATOM 14997 CD2 TYR B 409 139.662 218.166 233.097 1.00 65.67 C +ATOM 14998 CE1 TYR B 409 139.699 216.741 230.738 1.00 64.61 C +ATOM 14999 CE2 TYR B 409 140.410 217.007 233.004 1.00 68.36 C +ATOM 15000 CZ TYR B 409 140.424 216.299 231.822 1.00 66.62 C +ATOM 15001 OH TYR B 409 141.163 215.145 231.720 1.00 60.88 O +ATOM 15002 H TYR B 409 140.364 221.570 230.952 1.00 96.49 H +ATOM 15003 HA TYR B 409 138.656 220.542 230.255 1.00 86.19 H +ATOM 15004 HB2 TYR B 409 138.234 220.262 233.017 1.00 87.40 H +ATOM 15005 HB3 TYR B 409 137.178 219.665 231.994 1.00 87.40 H +ATOM 15006 HD1 TYR B 409 138.469 218.199 230.106 1.00 82.05 H +ATOM 15007 HD2 TYR B 409 139.656 218.643 233.895 1.00 78.80 H +ATOM 15008 HE1 TYR B 409 139.710 216.261 229.941 1.00 77.53 H +ATOM 15009 HE2 TYR B 409 140.899 216.706 233.736 1.00 82.03 H +ATOM 15010 HH TYR B 409 141.554 214.990 232.446 1.00 73.06 H +ATOM 15011 N ASN B 410 137.584 223.231 230.742 1.00 60.63 N +ATOM 15012 CA ASN B 410 136.537 224.227 230.521 1.00 73.55 C +ATOM 15013 C ASN B 410 136.521 224.725 229.076 1.00 61.83 C +ATOM 15014 O ASN B 410 137.220 225.677 228.731 1.00 62.82 O +ATOM 15015 CB ASN B 410 136.721 225.409 231.479 1.00 71.44 C +ATOM 15016 CG ASN B 410 135.500 226.313 231.538 1.00 95.41 C +ATOM 15017 OD1 ASN B 410 134.601 226.224 230.704 1.00119.29 O +ATOM 15018 ND2 ASN B 410 135.470 227.197 232.531 1.00 95.10 N +ATOM 15019 H ASN B 410 138.378 223.559 230.765 1.00 72.76 H +ATOM 15020 HA ASN B 410 135.675 223.823 230.707 1.00 88.26 H +ATOM 15021 HB2 ASN B 410 136.886 225.069 232.373 1.00 85.73 H +ATOM 15022 HB3 ASN B 410 137.475 225.942 231.183 1.00 85.73 H +ATOM 15023 HD21 ASN B 410 136.117 227.227 233.096 1.00114.12 H +ATOM 15024 N ASN B 411 135.710 224.089 228.236 1.00 65.13 N +ATOM 15025 CA ASN B 411 135.595 224.487 226.834 1.00 86.11 C +ATOM 15026 C ASN B 411 134.648 225.667 226.619 1.00 77.40 C +ATOM 15027 O ASN B 411 134.611 226.244 225.531 1.00 58.25 O +ATOM 15028 CB ASN B 411 135.132 223.302 225.985 1.00 76.02 C +ATOM 15029 CG ASN B 411 136.220 222.266 225.785 1.00 69.75 C +ATOM 15030 OD1 ASN B 411 137.397 222.602 225.646 1.00 62.25 O +ATOM 15031 ND2 ASN B 411 135.831 220.997 225.769 1.00 62.92 N +ATOM 15032 H ASN B 411 135.213 223.422 228.453 1.00 78.16 H +ATOM 15033 HA ASN B 411 136.472 224.753 226.516 1.00103.33 H +ATOM 15034 HB2 ASN B 411 134.383 222.870 226.426 1.00 91.23 H +ATOM 15035 HB3 ASN B 411 134.861 223.625 225.112 1.00 91.23 H +ATOM 15036 HD21 ASN B 411 136.410 220.371 225.659 1.00 75.51 H +ATOM 15037 HD22 ASN B 411 135.000 220.801 225.869 1.00 75.51 H +ATOM 15038 N SER B 412 133.884 226.026 227.644 1.00 75.52 N +ATOM 15039 CA SER B 412 132.998 227.177 227.540 1.00 72.27 C +ATOM 15040 C SER B 412 133.834 228.441 227.380 1.00 68.44 C +ATOM 15041 O SER B 412 133.410 229.399 226.736 1.00 56.56 O +ATOM 15042 CB SER B 412 132.089 227.285 228.763 1.00 68.34 C +ATOM 15043 OG SER B 412 132.542 228.297 229.641 1.00 71.38 O +ATOM 15044 H SER B 412 133.860 225.623 228.403 1.00 90.63 H +ATOM 15045 HA SER B 412 132.439 227.081 226.753 1.00 86.72 H +ATOM 15046 HB2 SER B 412 131.190 227.501 228.470 1.00 82.00 H +ATOM 15047 HB3 SER B 412 132.090 226.436 229.233 1.00 82.00 H +ATOM 15048 HG SER B 412 133.321 228.123 229.902 1.00 85.66 H +ATOM 15049 N ILE B 413 135.026 228.432 227.970 1.00 63.22 N +ATOM 15050 CA ILE B 413 135.973 229.529 227.809 1.00 58.75 C +ATOM 15051 C ILE B 413 136.280 229.737 226.331 1.00 55.40 C +ATOM 15052 O ILE B 413 136.360 230.870 225.854 1.00 44.92 O +ATOM 15053 CB ILE B 413 137.286 229.263 228.582 1.00 53.69 C +ATOM 15054 CG1 ILE B 413 137.012 229.258 230.088 1.00 47.40 C +ATOM 15055 CG2 ILE B 413 138.349 230.315 228.233 1.00 65.47 C +ATOM 15056 CD1 ILE B 413 138.228 228.955 230.947 1.00 51.44 C +ATOM 15057 H ILE B 413 135.312 227.796 228.472 1.00 75.87 H +ATOM 15058 HA ILE B 413 135.578 230.344 228.154 1.00 70.50 H +ATOM 15059 HB ILE B 413 137.622 228.390 228.327 1.00 64.43 H +ATOM 15060 HG12 ILE B 413 136.680 230.132 230.347 1.00 56.88 H +ATOM 15061 HG13 ILE B 413 136.342 228.583 230.279 1.00 56.88 H +ATOM 15062 HG21 ILE B 413 139.158 230.122 228.732 1.00 78.57 H +ATOM 15063 HG22 ILE B 413 138.530 230.277 227.281 1.00 78.57 H +ATOM 15064 HG23 ILE B 413 138.014 231.193 228.472 1.00 78.57 H +ATOM 15065 HD11 ILE B 413 137.967 228.972 231.881 1.00 61.73 H +ATOM 15066 HD12 ILE B 413 138.568 228.077 230.714 1.00 61.73 H +ATOM 15067 HD13 ILE B 413 138.907 229.628 230.781 1.00 61.73 H +ATOM 15068 N LEU B 414 136.451 228.634 225.612 1.00 57.80 N +ATOM 15069 CA LEU B 414 136.765 228.689 224.191 1.00 66.32 C +ATOM 15070 C LEU B 414 135.612 229.316 223.403 1.00 62.54 C +ATOM 15071 O LEU B 414 135.828 230.178 222.551 1.00 50.12 O +ATOM 15072 CB LEU B 414 137.073 227.285 223.666 1.00 63.30 C +ATOM 15073 CG LEU B 414 137.642 227.192 222.249 1.00 59.98 C +ATOM 15074 CD1 LEU B 414 139.004 227.859 222.172 1.00 46.57 C +ATOM 15075 CD2 LEU B 414 137.734 225.738 221.813 1.00 61.48 C +ATOM 15076 H LEU B 414 136.390 227.836 225.927 1.00 69.36 H +ATOM 15077 HA LEU B 414 137.553 229.239 224.061 1.00 79.59 H +ATOM 15078 HB2 LEU B 414 137.718 226.874 224.262 1.00 75.97 H +ATOM 15079 HB3 LEU B 414 136.251 226.770 223.679 1.00 75.97 H +ATOM 15080 HG LEU B 414 137.047 227.652 221.638 1.00 71.97 H +ATOM 15081 HD11 LEU B 414 139.341 227.785 221.266 1.00 55.88 H +ATOM 15082 HD12 LEU B 414 138.912 228.794 222.416 1.00 55.88 H +ATOM 15083 HD13 LEU B 414 139.609 227.415 222.787 1.00 55.88 H +ATOM 15084 HD21 LEU B 414 138.097 225.700 220.914 1.00 73.77 H +ATOM 15085 HD22 LEU B 414 138.316 225.261 222.425 1.00 73.77 H +ATOM 15086 HD23 LEU B 414 136.846 225.347 221.829 1.00 73.77 H +ATOM 15087 N LEU B 415 134.390 228.882 223.696 1.00 62.83 N +ATOM 15088 CA LEU B 415 133.207 229.425 223.036 1.00 66.63 C +ATOM 15089 C LEU B 415 132.971 230.873 223.442 1.00 58.27 C +ATOM 15090 O LEU B 415 132.565 231.699 222.626 1.00 50.08 O +ATOM 15091 CB LEU B 415 131.972 228.589 223.371 1.00 67.53 C +ATOM 15092 CG LEU B 415 131.975 227.126 222.925 1.00 56.97 C +ATOM 15093 CD1 LEU B 415 130.607 226.513 223.175 1.00 49.47 C +ATOM 15094 CD2 LEU B 415 132.368 226.989 221.461 1.00 54.54 C +ATOM 15095 H LEU B 415 134.218 228.271 224.276 1.00 75.39 H +ATOM 15096 HA LEU B 415 133.339 229.399 222.075 1.00 79.96 H +ATOM 15097 HB2 LEU B 415 131.859 228.593 224.334 1.00 81.03 H +ATOM 15098 HB3 LEU B 415 131.202 229.011 222.958 1.00 81.03 H +ATOM 15099 HG LEU B 415 132.623 226.636 223.455 1.00 68.37 H +ATOM 15100 HD11 LEU B 415 130.620 225.586 222.889 1.00 59.36 H +ATOM 15101 HD12 LEU B 415 130.407 226.564 224.122 1.00 59.36 H +ATOM 15102 HD13 LEU B 415 129.943 227.006 222.668 1.00 59.36 H +ATOM 15103 HD21 LEU B 415 132.357 226.050 221.218 1.00 65.44 H +ATOM 15104 HD22 LEU B 415 131.731 227.479 220.916 1.00 65.44 H +ATOM 15105 HD23 LEU B 415 133.258 227.353 221.338 1.00 65.44 H +ATOM 15106 N GLU B 416 133.225 231.160 224.712 1.00 55.07 N +ATOM 15107 CA GLU B 416 133.042 232.495 225.268 1.00 52.39 C +ATOM 15108 C GLU B 416 133.831 233.552 224.497 1.00 58.91 C +ATOM 15109 O GLU B 416 133.292 234.602 224.146 1.00 60.56 O +ATOM 15110 CB GLU B 416 133.458 232.491 226.742 1.00 59.11 C +ATOM 15111 CG GLU B 416 133.311 233.819 227.464 1.00 59.22 C +ATOM 15112 CD GLU B 416 133.624 233.705 228.948 1.00 72.45 C +ATOM 15113 OE1 GLU B 416 133.533 232.582 229.497 1.00 91.41 O +ATOM 15114 OE2 GLU B 416 133.966 234.735 229.566 1.00 75.09 O +ATOM 15115 H GLU B 416 133.511 230.586 225.285 1.00 66.08 H +ATOM 15116 HA GLU B 416 132.102 232.730 225.223 1.00 62.87 H +ATOM 15117 HB2 GLU B 416 132.914 231.841 227.213 1.00 70.93 H +ATOM 15118 HB3 GLU B 416 134.391 232.232 226.796 1.00 70.93 H +ATOM 15119 HG2 GLU B 416 133.925 234.462 227.075 1.00 71.07 H +ATOM 15120 HG3 GLU B 416 132.398 234.131 227.371 1.00 71.07 H +ATOM 15121 N HIS B 417 135.101 233.260 224.224 1.00 53.85 N +ATOM 15122 CA HIS B 417 135.997 234.223 223.588 1.00 43.00 C +ATOM 15123 C HIS B 417 136.178 233.981 222.092 1.00 45.82 C +ATOM 15124 O HIS B 417 136.400 234.922 221.331 1.00 46.14 O +ATOM 15125 CB HIS B 417 137.362 234.188 224.270 1.00 49.17 C +ATOM 15126 CG HIS B 417 137.317 234.544 225.720 1.00 49.98 C +ATOM 15127 ND1 HIS B 417 137.301 235.849 226.165 1.00 59.13 N +ATOM 15128 CD2 HIS B 417 137.286 233.767 226.829 1.00 50.77 C +ATOM 15129 CE1 HIS B 417 137.263 235.860 227.485 1.00 58.09 C +ATOM 15130 NE2 HIS B 417 137.251 234.610 227.912 1.00 50.14 N +ATOM 15131 H HIS B 417 135.471 232.504 224.399 1.00 64.62 H +ATOM 15132 HA HIS B 417 135.630 235.114 223.702 1.00 51.60 H +ATOM 15133 HB2 HIS B 417 137.727 233.292 224.195 1.00 59.00 H +ATOM 15134 HB3 HIS B 417 137.949 234.820 223.827 1.00 59.00 H +ATOM 15135 HD1 HIS B 417 137.315 236.546 225.662 1.00 70.95 H +ATOM 15136 HD2 HIS B 417 137.287 232.838 226.852 1.00 60.93 H +ATOM 15137 HE1 HIS B 417 137.244 236.619 228.023 1.00 69.70 H +ATOM 15138 N GLY B 418 136.095 232.721 221.676 1.00 50.24 N +ATOM 15139 CA GLY B 418 136.312 232.364 220.285 1.00 44.06 C +ATOM 15140 C GLY B 418 137.791 232.218 219.978 1.00 43.01 C +ATOM 15141 O GLY B 418 138.635 232.680 220.744 1.00 45.08 O +ATOM 15142 H GLY B 418 135.912 232.053 222.185 1.00 60.29 H +ATOM 15143 HA2 GLY B 418 135.870 231.523 220.091 1.00 52.87 H +ATOM 15144 HA3 GLY B 418 135.941 233.051 219.710 1.00 52.87 H +ATOM 15145 N ILE B 419 138.103 231.580 218.854 1.00 44.95 N +ATOM 15146 CA ILE B 419 139.487 231.287 218.498 1.00 52.24 C +ATOM 15147 C ILE B 419 140.309 232.557 218.301 1.00 44.25 C +ATOM 15148 O ILE B 419 141.456 232.623 218.736 1.00 45.85 O +ATOM 15149 CB ILE B 419 139.568 230.432 217.211 1.00 46.57 C +ATOM 15150 CG1 ILE B 419 138.860 229.087 217.409 1.00 45.66 C +ATOM 15151 CG2 ILE B 419 141.025 230.204 216.789 1.00 44.10 C +ATOM 15152 CD1 ILE B 419 139.491 228.190 218.454 1.00 36.35 C +ATOM 15153 H ILE B 419 137.528 231.305 218.277 1.00 53.95 H +ATOM 15154 HA ILE B 419 139.894 230.779 219.217 1.00 62.69 H +ATOM 15155 HB ILE B 419 139.116 230.911 216.498 1.00 55.88 H +ATOM 15156 HG12 ILE B 419 137.945 229.256 217.681 1.00 54.79 H +ATOM 15157 HG13 ILE B 419 138.867 228.606 216.567 1.00 54.79 H +ATOM 15158 HG21 ILE B 419 141.039 229.666 215.982 1.00 52.92 H +ATOM 15159 HG22 ILE B 419 141.443 231.063 216.622 1.00 52.92 H +ATOM 15160 HG23 ILE B 419 141.491 229.742 217.503 1.00 52.92 H +ATOM 15161 HD11 ILE B 419 138.981 227.367 218.512 1.00 43.63 H +ATOM 15162 HD12 ILE B 419 140.404 227.996 218.194 1.00 43.63 H +ATOM 15163 HD13 ILE B 419 139.480 228.647 219.310 1.00 43.63 H +ATOM 15164 N THR B 420 139.727 233.554 217.643 1.00 45.21 N +ATOM 15165 CA THR B 420 140.439 234.796 217.351 1.00 46.77 C +ATOM 15166 C THR B 420 141.018 235.424 218.612 1.00 45.48 C +ATOM 15167 O THR B 420 142.197 235.773 218.654 1.00 48.77 O +ATOM 15168 CB THR B 420 139.520 235.825 216.665 1.00 47.54 C +ATOM 15169 OG1 THR B 420 139.017 235.274 215.444 1.00 42.44 O +ATOM 15170 CG2 THR B 420 140.278 237.114 216.354 1.00 44.68 C +ATOM 15171 H THR B 420 138.918 233.537 217.352 1.00 54.26 H +ATOM 15172 HA THR B 420 141.174 234.603 216.749 1.00 56.13 H +ATOM 15173 HB THR B 420 138.779 236.039 217.252 1.00 57.04 H +ATOM 15174 HG1 THR B 420 139.654 235.085 214.930 1.00 50.93 H +ATOM 15175 HG21 THR B 420 139.686 237.750 215.923 1.00 53.62 H +ATOM 15176 HG22 THR B 420 140.617 237.505 217.174 1.00 53.62 H +ATOM 15177 HG23 THR B 420 141.024 236.926 215.763 1.00 53.62 H +ATOM 15178 N GLN B 421 140.187 235.559 219.638 1.00 46.60 N +ATOM 15179 CA GLN B 421 140.613 236.171 220.888 1.00 51.51 C +ATOM 15180 C GLN B 421 141.691 235.333 221.576 1.00 46.48 C +ATOM 15181 O GLN B 421 142.589 235.873 222.221 1.00 57.35 O +ATOM 15182 CB GLN B 421 139.415 236.359 221.819 1.00 48.70 C +ATOM 15183 CG GLN B 421 139.721 237.159 223.073 1.00 61.93 C +ATOM 15184 CD GLN B 421 140.261 238.542 222.763 1.00 90.32 C +ATOM 15185 OE1 GLN B 421 141.465 238.787 222.857 1.00 71.70 O +ATOM 15186 NE2 GLN B 421 139.372 239.455 222.390 1.00 99.45 N +ATOM 15187 H GLN B 421 139.366 235.303 219.635 1.00 55.92 H +ATOM 15188 HA GLN B 421 140.988 237.046 220.700 1.00 61.82 H +ATOM 15189 HB2 GLN B 421 138.715 236.825 221.335 1.00 58.43 H +ATOM 15190 HB3 GLN B 421 139.095 235.486 222.096 1.00 58.43 H +ATOM 15191 HG2 GLN B 421 138.906 237.263 223.589 1.00 74.31 H +ATOM 15192 HG3 GLN B 421 140.387 236.686 223.595 1.00 74.31 H +ATOM 15193 HE21 GLN B 421 138.540 239.247 222.334 1.00119.34 H +ATOM 15194 HE22 GLN B 421 139.629 240.254 222.203 1.00119.34 H +ATOM 15195 N PHE B 422 141.596 234.015 221.436 1.00 51.81 N +ATOM 15196 CA PHE B 422 142.586 233.108 222.009 1.00 47.76 C +ATOM 15197 C PHE B 422 143.967 233.343 221.407 1.00 40.52 C +ATOM 15198 O PHE B 422 144.959 233.447 222.127 1.00 32.01 O +ATOM 15199 CB PHE B 422 142.169 231.654 221.788 1.00 50.24 C +ATOM 15200 CG PHE B 422 141.552 231.008 222.992 1.00 54.08 C +ATOM 15201 CD1 PHE B 422 140.358 231.477 223.511 1.00 52.82 C +ATOM 15202 CD2 PHE B 422 142.161 229.924 223.598 1.00 43.08 C +ATOM 15203 CE1 PHE B 422 139.790 230.880 224.617 1.00 52.61 C +ATOM 15204 CE2 PHE B 422 141.596 229.325 224.703 1.00 53.72 C +ATOM 15205 CZ PHE B 422 140.409 229.803 225.213 1.00 58.19 C +ATOM 15206 H PHE B 422 140.963 233.618 221.010 1.00 62.17 H +ATOM 15207 HA PHE B 422 142.644 233.263 222.964 1.00 57.31 H +ATOM 15208 HB2 PHE B 422 141.519 231.621 221.069 1.00 60.29 H +ATOM 15209 HB3 PHE B 422 142.953 231.137 221.544 1.00 60.29 H +ATOM 15210 HD1 PHE B 422 139.937 232.204 223.112 1.00 63.38 H +ATOM 15211 HD2 PHE B 422 142.963 229.598 223.258 1.00 51.69 H +ATOM 15212 HE1 PHE B 422 138.988 231.204 224.960 1.00 63.14 H +ATOM 15213 HE2 PHE B 422 142.015 228.598 225.104 1.00 64.46 H +ATOM 15214 HZ PHE B 422 140.027 229.399 225.959 1.00 69.82 H +ATOM 15215 N VAL B 423 144.019 233.420 220.081 1.00 39.06 N +ATOM 15216 CA VAL B 423 145.270 233.629 219.361 1.00 43.63 C +ATOM 15217 C VAL B 423 145.893 234.976 219.721 1.00 52.74 C +ATOM 15218 O VAL B 423 147.098 235.065 219.951 1.00 59.00 O +ATOM 15219 CB VAL B 423 145.048 233.548 217.835 1.00 41.18 C +ATOM 15220 CG1 VAL B 423 146.325 233.888 217.071 1.00 51.94 C +ATOM 15221 CG2 VAL B 423 144.553 232.161 217.448 1.00 37.52 C +ATOM 15222 H VAL B 423 143.332 233.353 219.569 1.00 46.87 H +ATOM 15223 HA VAL B 423 145.897 232.932 219.610 1.00 52.36 H +ATOM 15224 HB VAL B 423 144.367 234.190 217.581 1.00 49.41 H +ATOM 15225 HG11 VAL B 423 146.148 233.827 216.119 1.00 62.33 H +ATOM 15226 HG12 VAL B 423 146.598 234.790 217.300 1.00 62.33 H +ATOM 15227 HG13 VAL B 423 147.019 233.258 217.320 1.00 62.33 H +ATOM 15228 HG21 VAL B 423 144.420 232.130 216.488 1.00 45.02 H +ATOM 15229 HG22 VAL B 423 145.217 231.505 217.712 1.00 45.02 H +ATOM 15230 HG23 VAL B 423 143.715 231.987 217.905 1.00 45.02 H +ATOM 15231 N GLU B 424 145.072 236.020 219.768 1.00 51.71 N +ATOM 15232 CA GLU B 424 145.554 237.354 220.110 1.00 56.22 C +ATOM 15233 C GLU B 424 146.107 237.380 221.530 1.00 51.91 C +ATOM 15234 O GLU B 424 147.147 237.985 221.795 1.00 48.60 O +ATOM 15235 CB GLU B 424 144.435 238.388 219.963 1.00 51.61 C +ATOM 15236 CG GLU B 424 144.011 238.634 218.525 1.00 69.14 C +ATOM 15237 CD GLU B 424 142.858 239.613 218.407 1.00 72.34 C +ATOM 15238 OE1 GLU B 424 142.006 239.651 219.321 1.00 49.59 O +ATOM 15239 OE2 GLU B 424 142.808 240.346 217.398 1.00 51.81 O +ATOM 15240 H GLU B 424 144.228 235.983 219.606 1.00 62.05 H +ATOM 15241 HA GLU B 424 146.271 237.597 219.503 1.00 67.46 H +ATOM 15242 HB2 GLU B 424 143.657 238.078 220.452 1.00 61.93 H +ATOM 15243 HB3 GLU B 424 144.740 239.233 220.331 1.00 61.93 H +ATOM 15244 HG2 GLU B 424 144.764 238.997 218.032 1.00 82.97 H +ATOM 15245 HG3 GLU B 424 143.732 237.793 218.130 1.00 82.97 H +ATOM 15246 N SER B 425 145.403 236.714 222.437 1.00 43.05 N +ATOM 15247 CA SER B 425 145.812 236.657 223.831 1.00 55.70 C +ATOM 15248 C SER B 425 147.101 235.859 224.007 1.00 57.66 C +ATOM 15249 O SER B 425 148.082 236.363 224.552 1.00 56.53 O +ATOM 15250 CB SER B 425 144.702 236.042 224.682 1.00 61.64 C +ATOM 15251 OG SER B 425 143.543 236.856 224.677 1.00 71.83 O +ATOM 15252 H SER B 425 144.678 236.284 222.267 1.00 51.66 H +ATOM 15253 HA SER B 425 145.971 237.559 224.151 1.00 66.83 H +ATOM 15254 HB2 SER B 425 144.476 235.171 224.323 1.00 73.97 H +ATOM 15255 HB3 SER B 425 145.019 235.952 225.595 1.00 73.97 H +ATOM 15256 HG SER B 425 143.256 236.943 223.893 1.00 86.20 H +ATOM 15257 N PHE B 426 147.090 234.612 223.546 1.00 53.09 N +ATOM 15258 CA PHE B 426 148.232 233.717 223.712 1.00 52.71 C +ATOM 15259 C PHE B 426 149.486 234.244 223.031 1.00 43.37 C +ATOM 15260 O PHE B 426 150.590 234.034 223.523 1.00 38.87 O +ATOM 15261 CB PHE B 426 147.909 232.323 223.165 1.00 51.67 C +ATOM 15262 CG PHE B 426 146.952 231.530 224.015 1.00 46.88 C +ATOM 15263 CD1 PHE B 426 146.654 231.915 225.313 1.00 45.81 C +ATOM 15264 CD2 PHE B 426 146.357 230.387 223.512 1.00 48.87 C +ATOM 15265 CE1 PHE B 426 145.784 231.178 226.083 1.00 47.59 C +ATOM 15266 CE2 PHE B 426 145.483 229.648 224.281 1.00 50.14 C +ATOM 15267 CZ PHE B 426 145.195 230.044 225.567 1.00 47.35 C +ATOM 15268 H PHE B 426 146.427 234.256 223.129 1.00 63.71 H +ATOM 15269 HA PHE B 426 148.424 233.628 224.658 1.00 63.25 H +ATOM 15270 HB2 PHE B 426 147.513 232.418 222.285 1.00 62.00 H +ATOM 15271 HB3 PHE B 426 148.734 231.816 223.100 1.00 62.00 H +ATOM 15272 HD1 PHE B 426 147.047 232.679 225.668 1.00 54.98 H +ATOM 15273 HD2 PHE B 426 146.548 230.115 222.643 1.00 58.65 H +ATOM 15274 HE1 PHE B 426 145.590 231.448 226.952 1.00 57.10 H +ATOM 15275 HE2 PHE B 426 145.087 228.882 223.931 1.00 60.17 H +ATOM 15276 HZ PHE B 426 144.606 229.547 226.087 1.00 56.81 H +ATOM 15277 N THR B 427 149.319 234.919 221.901 1.00 43.11 N +ATOM 15278 CA THR B 427 150.454 235.493 221.196 1.00 42.57 C +ATOM 15279 C THR B 427 151.154 236.528 222.077 1.00 45.05 C +ATOM 15280 O THR B 427 152.355 236.748 221.955 1.00 50.56 O +ATOM 15281 CB THR B 427 150.023 236.144 219.866 1.00 44.97 C +ATOM 15282 OG1 THR B 427 149.415 235.155 219.026 1.00 44.55 O +ATOM 15283 CG2 THR B 427 151.219 236.751 219.132 1.00 45.24 C +ATOM 15284 H THR B 427 148.559 235.058 221.523 1.00 51.74 H +ATOM 15285 HA THR B 427 151.091 234.789 220.995 1.00 51.08 H +ATOM 15286 HB THR B 427 149.384 236.851 220.045 1.00 53.97 H +ATOM 15287 HG1 THR B 427 148.741 234.831 219.406 1.00 53.46 H +ATOM 15288 HG21 THR B 427 150.927 237.154 218.299 1.00 54.29 H +ATOM 15289 HG22 THR B 427 151.636 237.431 219.683 1.00 54.29 H +ATOM 15290 HG23 THR B 427 151.872 236.060 218.935 1.00 54.29 H +ATOM 15291 N ARG B 428 150.397 237.144 222.980 1.00 50.75 N +ATOM 15292 CA ARG B 428 150.925 238.201 223.838 1.00 52.47 C +ATOM 15293 C ARG B 428 151.465 237.692 225.176 1.00 43.20 C +ATOM 15294 O ARG B 428 152.276 238.365 225.808 1.00 48.37 O +ATOM 15295 CB ARG B 428 149.845 239.253 224.105 1.00 63.94 C +ATOM 15296 CG ARG B 428 149.650 240.251 222.973 1.00 66.66 C +ATOM 15297 CD ARG B 428 148.792 241.422 223.413 1.00 80.98 C +ATOM 15298 NE ARG B 428 147.476 240.991 223.889 1.00 97.91 N +ATOM 15299 CZ ARG B 428 146.971 241.235 225.097 1.00112.37 C +ATOM 15300 NH1 ARG B 428 147.653 241.928 226.002 1.00116.36 N +ATOM 15301 NH2 ARG B 428 145.762 240.786 225.405 1.00117.03 N +ATOM 15302 H ARG B 428 149.566 236.967 223.116 1.00 60.90 H +ATOM 15303 HA ARG B 428 151.655 238.639 223.375 1.00 62.97 H +ATOM 15304 HB2 ARG B 428 148.999 238.800 224.248 1.00 76.73 H +ATOM 15305 HB3 ARG B 428 150.088 239.752 224.900 1.00 76.73 H +ATOM 15306 HG2 ARG B 428 150.514 240.593 222.695 1.00 79.99 H +ATOM 15307 HG3 ARG B 428 149.208 239.811 222.230 1.00 79.99 H +ATOM 15308 HD2 ARG B 428 149.238 241.888 224.138 1.00 97.18 H +ATOM 15309 HD3 ARG B 428 148.661 242.021 222.661 1.00 97.18 H +ATOM 15310 HE ARG B 428 146.987 240.541 223.342 1.00117.49 H +ATOM 15311 HH11 ARG B 428 148.438 242.225 225.814 1.00139.64 H +ATOM 15312 HH12 ARG B 428 147.311 242.078 226.776 1.00139.64 H +ATOM 15313 HH21 ARG B 428 145.310 240.338 224.827 1.00140.44 H +ATOM 15314 HH22 ARG B 428 145.430 240.943 226.182 1.00140.44 H +ATOM 15315 N GLN B 429 151.023 236.515 225.609 1.00 42.13 N +ATOM 15316 CA GLN B 429 151.392 236.020 226.935 1.00 39.18 C +ATOM 15317 C GLN B 429 152.695 235.228 226.927 1.00 42.26 C +ATOM 15318 O GLN B 429 152.844 234.275 226.170 1.00 43.66 O +ATOM 15319 CB GLN B 429 150.280 235.150 227.515 1.00 40.39 C +ATOM 15320 CG GLN B 429 150.623 234.611 228.895 1.00 40.48 C +ATOM 15321 CD GLN B 429 149.420 234.096 229.653 1.00 43.94 C +ATOM 15322 OE1 GLN B 429 148.322 233.984 229.106 1.00 44.94 O +ATOM 15323 NE2 GLN B 429 149.621 233.779 230.926 1.00 40.49 N +ATOM 15324 H GLN B 429 150.513 235.987 225.161 1.00 50.55 H +ATOM 15325 HA GLN B 429 151.513 236.779 227.527 1.00 47.02 H +ATOM 15326 HB2 GLN B 429 149.471 235.679 227.592 1.00 48.46 H +ATOM 15327 HB3 GLN B 429 150.130 234.394 226.926 1.00 48.46 H +ATOM 15328 HG2 GLN B 429 151.251 233.878 228.799 1.00 48.58 H +ATOM 15329 HG3 GLN B 429 151.024 235.323 229.419 1.00 48.58 H +ATOM 15330 HE21 GLN B 429 150.401 233.872 231.274 1.00 48.59 H +ATOM 15331 HE22 GLN B 429 148.970 233.482 231.403 1.00 48.59 H +ATOM 15332 N ILE B 430 153.620 235.622 227.797 1.00 49.15 N +ATOM 15333 CA ILE B 430 154.934 234.995 227.884 1.00 46.75 C +ATOM 15334 C ILE B 430 154.855 233.636 228.575 1.00 50.85 C +ATOM 15335 O ILE B 430 154.050 233.440 229.485 1.00 44.61 O +ATOM 15336 CB ILE B 430 155.935 235.903 228.649 1.00 43.87 C +ATOM 15337 CG1 ILE B 430 157.376 235.433 228.445 1.00 48.74 C +ATOM 15338 CG2 ILE B 430 155.596 235.968 230.135 1.00 38.70 C +ATOM 15339 CD1 ILE B 430 158.096 236.154 227.341 1.00 48.03 C +ATOM 15340 H ILE B 430 153.508 236.265 228.357 1.00 58.98 H +ATOM 15341 HA ILE B 430 155.279 234.856 226.988 1.00 56.10 H +ATOM 15342 HB ILE B 430 155.860 236.800 228.287 1.00 52.65 H +ATOM 15343 HG12 ILE B 430 157.871 235.578 229.267 1.00 58.49 H +ATOM 15344 HG13 ILE B 430 157.369 234.488 228.228 1.00 58.49 H +ATOM 15345 HG21 ILE B 430 156.239 236.542 230.580 1.00 46.44 H +ATOM 15346 HG22 ILE B 430 154.702 236.329 230.239 1.00 46.44 H +ATOM 15347 HG23 ILE B 430 155.637 235.073 230.507 1.00 46.44 H +ATOM 15348 HD11 ILE B 430 158.998 235.804 227.272 1.00 57.63 H +ATOM 15349 HD12 ILE B 430 157.620 236.010 226.508 1.00 57.63 H +ATOM 15350 HD13 ILE B 430 158.123 237.101 227.548 1.00 57.63 H +ATOM 15351 N ALA B 431 155.693 232.702 228.131 1.00 42.42 N +ATOM 15352 CA ALA B 431 155.831 231.405 228.783 1.00 44.98 C +ATOM 15353 C ALA B 431 157.025 231.426 229.727 1.00 39.46 C +ATOM 15354 O ALA B 431 157.795 232.385 229.741 1.00 39.73 O +ATOM 15355 CB ALA B 431 155.985 230.303 227.754 1.00 46.08 C +ATOM 15356 H ALA B 431 156.200 232.799 227.443 1.00 50.90 H +ATOM 15357 HA ALA B 431 155.034 231.224 229.305 1.00 53.98 H +ATOM 15358 HB1 ALA B 431 156.075 229.453 228.213 1.00 55.29 H +ATOM 15359 HB2 ALA B 431 155.200 230.290 227.184 1.00 55.29 H +ATOM 15360 HB3 ALA B 431 156.778 230.477 227.222 1.00 55.29 H +ATOM 15361 N GLY B 432 157.177 230.364 230.512 1.00 38.55 N +ATOM 15362 CA GLY B 432 158.254 230.277 231.482 1.00 41.84 C +ATOM 15363 C GLY B 432 159.508 229.634 230.918 1.00 42.84 C +ATOM 15364 O GLY B 432 159.461 228.960 229.891 1.00 31.23 O +ATOM 15365 H GLY B 432 156.662 229.675 230.500 1.00 46.26 H +ATOM 15366 HA2 GLY B 432 158.481 231.169 231.790 1.00 50.21 H +ATOM 15367 HA3 GLY B 432 157.959 229.755 232.244 1.00 50.21 H +ATOM 15368 N ARG B 433 160.630 229.848 231.599 1.00 35.86 N +ATOM 15369 CA ARG B 433 161.903 229.253 231.209 1.00 39.45 C +ATOM 15370 C ARG B 433 161.953 227.787 231.633 1.00 42.79 C +ATOM 15371 O ARG B 433 161.654 227.458 232.779 1.00 34.98 O +ATOM 15372 CB ARG B 433 163.066 230.026 231.832 1.00 38.95 C +ATOM 15373 CG ARG B 433 164.421 229.691 231.245 1.00 46.27 C +ATOM 15374 CD ARG B 433 165.528 230.455 231.947 1.00 44.44 C +ATOM 15375 NE ARG B 433 166.602 230.818 231.028 1.00 56.48 N +ATOM 15376 CZ ARG B 433 167.653 231.564 231.358 1.00 59.06 C +ATOM 15377 NH1 ARG B 433 167.782 232.029 232.594 1.00 67.91 N +ATOM 15378 NH2 ARG B 433 168.576 231.844 230.449 1.00 39.01 N +ATOM 15379 H ARG B 433 160.680 230.343 232.301 1.00 43.03 H +ATOM 15380 HA ARG B 433 161.994 229.294 230.244 1.00 47.34 H +ATOM 15381 HB2 ARG B 433 162.914 230.975 231.701 1.00 46.74 H +ATOM 15382 HB3 ARG B 433 163.098 229.828 232.781 1.00 46.74 H +ATOM 15383 HG2 ARG B 433 164.591 228.742 231.352 1.00 55.53 H +ATOM 15384 HG3 ARG B 433 164.433 229.931 230.306 1.00 55.53 H +ATOM 15385 HD2 ARG B 433 165.164 231.270 232.324 1.00 53.33 H +ATOM 15386 HD3 ARG B 433 165.905 229.900 232.648 1.00 53.33 H +ATOM 15387 HE ARG B 433 166.552 230.531 230.219 1.00 67.78 H +ATOM 15388 HH11 ARG B 433 167.184 231.850 233.185 1.00 81.49 H +ATOM 15389 HH12 ARG B 433 168.463 232.510 232.803 1.00 81.49 H +ATOM 15390 HH21 ARG B 433 168.496 231.544 229.648 1.00 46.81 H +ATOM 15391 HH22 ARG B 433 169.257 232.325 230.662 1.00 46.81 H +ATOM 15392 N VAL B 434 162.337 226.910 230.710 1.00 43.45 N +ATOM 15393 CA VAL B 434 162.316 225.473 230.968 1.00 46.99 C +ATOM 15394 C VAL B 434 163.516 225.037 231.806 1.00 35.86 C +ATOM 15395 O VAL B 434 163.351 224.397 232.843 1.00 40.64 O +ATOM 15396 CB VAL B 434 162.274 224.677 229.653 1.00 38.83 C +ATOM 15397 CG1 VAL B 434 162.445 223.174 229.907 1.00 37.20 C +ATOM 15398 CG2 VAL B 434 160.959 224.940 228.938 1.00 35.43 C +ATOM 15399 H VAL B 434 162.614 227.122 229.924 1.00 52.14 H +ATOM 15400 HA VAL B 434 161.513 225.259 231.469 1.00 56.39 H +ATOM 15401 HB VAL B 434 162.997 224.972 229.077 1.00 46.60 H +ATOM 15402 HG11 VAL B 434 162.413 222.705 229.059 1.00 44.64 H +ATOM 15403 HG12 VAL B 434 163.301 223.022 230.338 1.00 44.64 H +ATOM 15404 HG13 VAL B 434 161.726 222.868 230.482 1.00 44.64 H +ATOM 15405 HG21 VAL B 434 160.943 224.434 228.111 1.00 42.52 H +ATOM 15406 HG22 VAL B 434 160.227 224.662 229.511 1.00 42.52 H +ATOM 15407 HG23 VAL B 434 160.888 225.889 228.747 1.00 42.52 H +ATOM 15408 N ALA B 435 164.719 225.374 231.355 1.00 36.76 N +ATOM 15409 CA ALA B 435 165.924 225.077 232.118 1.00 39.02 C +ATOM 15410 C ALA B 435 166.153 226.159 233.167 1.00 44.21 C +ATOM 15411 O ALA B 435 165.498 227.198 233.143 1.00 45.30 O +ATOM 15412 CB ALA B 435 167.124 224.966 231.200 1.00 47.81 C +ATOM 15413 H ALA B 435 164.864 225.776 230.609 1.00 44.11 H +ATOM 15414 HA ALA B 435 165.812 224.229 232.576 1.00 46.83 H +ATOM 15415 HB1 ALA B 435 167.910 224.768 231.732 1.00 57.37 H +ATOM 15416 HB2 ALA B 435 166.967 224.252 230.562 1.00 57.37 H +ATOM 15417 HB3 ALA B 435 167.242 225.808 230.733 1.00 57.37 H +ATOM 15418 N GLY B 436 167.080 225.908 234.086 1.00 39.21 N +ATOM 15419 CA GLY B 436 167.459 226.894 235.081 1.00 43.45 C +ATOM 15420 C GLY B 436 166.932 226.585 236.469 1.00 42.72 C +ATOM 15421 O GLY B 436 167.308 227.243 237.439 1.00 46.15 O +ATOM 15422 H GLY B 436 167.507 225.165 234.151 1.00 47.05 H +ATOM 15423 HA2 GLY B 436 168.426 226.945 235.128 1.00 52.14 H +ATOM 15424 HA3 GLY B 436 167.121 227.763 234.815 1.00 52.14 H +ATOM 15425 N GLY B 437 166.051 225.593 236.564 1.00 46.84 N +ATOM 15426 CA GLY B 437 165.572 225.114 237.848 1.00 44.90 C +ATOM 15427 C GLY B 437 164.444 225.927 238.450 1.00 40.62 C +ATOM 15428 O GLY B 437 164.233 227.087 238.095 1.00 37.91 O +ATOM 15429 H GLY B 437 165.714 225.180 235.889 1.00 56.21 H +ATOM 15430 HA2 GLY B 437 165.263 224.201 237.747 1.00 53.88 H +ATOM 15431 HA3 GLY B 437 166.310 225.114 238.478 1.00 53.88 H +ATOM 15432 N ARG B 438 163.711 225.291 239.361 1.00 41.96 N +ATOM 15433 CA ARG B 438 162.694 225.950 240.179 1.00 41.78 C +ATOM 15434 C ARG B 438 161.726 226.813 239.374 1.00 39.14 C +ATOM 15435 O ARG B 438 161.601 228.011 239.622 1.00 43.14 O +ATOM 15436 CB ARG B 438 163.375 226.801 241.255 1.00 38.76 C +ATOM 15437 CG ARG B 438 164.073 225.972 242.309 1.00 46.88 C +ATOM 15438 CD ARG B 438 165.047 226.789 243.125 1.00 43.70 C +ATOM 15439 NE ARG B 438 165.599 226.007 244.226 1.00 50.21 N +ATOM 15440 CZ ARG B 438 166.646 226.373 244.956 1.00 67.54 C +ATOM 15441 NH1 ARG B 438 167.271 227.516 244.702 1.00 94.84 N +ATOM 15442 NH2 ARG B 438 167.073 225.592 245.938 1.00 63.31 N +ATOM 15443 H ARG B 438 163.787 224.451 239.529 1.00 50.35 H +ATOM 15444 HA ARG B 438 162.172 225.269 240.630 1.00 50.14 H +ATOM 15445 HB2 ARG B 438 164.038 227.369 240.834 1.00 46.51 H +ATOM 15446 HB3 ARG B 438 162.705 227.345 241.697 1.00 46.51 H +ATOM 15447 HG2 ARG B 438 163.410 225.602 242.912 1.00 56.26 H +ATOM 15448 HG3 ARG B 438 164.566 225.258 241.876 1.00 56.26 H +ATOM 15449 HD2 ARG B 438 165.780 227.076 242.557 1.00 52.44 H +ATOM 15450 HD3 ARG B 438 164.588 227.558 243.497 1.00 52.44 H +ATOM 15451 HE ARG B 438 165.221 225.258 244.416 1.00 60.26 H +ATOM 15452 HH11 ARG B 438 166.996 228.024 244.065 1.00113.81 H +ATOM 15453 HH12 ARG B 438 167.949 227.749 245.176 1.00113.81 H +ATOM 15454 HH21 ARG B 438 166.670 224.851 246.103 1.00 75.97 H +ATOM 15455 HH22 ARG B 438 167.752 225.828 246.410 1.00 75.97 H +ATOM 15456 N ASN B 439 161.042 226.201 238.414 1.00 34.77 N +ATOM 15457 CA ASN B 439 160.067 226.928 237.615 1.00 40.57 C +ATOM 15458 C ASN B 439 158.893 226.060 237.179 1.00 34.60 C +ATOM 15459 O ASN B 439 158.187 226.404 236.233 1.00 33.48 O +ATOM 15460 CB ASN B 439 160.745 227.538 236.385 1.00 39.10 C +ATOM 15461 CG ASN B 439 160.034 228.783 235.884 1.00 42.58 C +ATOM 15462 OD1 ASN B 439 159.507 229.572 236.671 1.00 43.75 O +ATOM 15463 ND2 ASN B 439 160.010 228.961 234.570 1.00 36.50 N +ATOM 15464 H ASN B 439 161.124 225.370 238.208 1.00 41.72 H +ATOM 15465 HA ASN B 439 159.712 227.658 238.147 1.00 48.68 H +ATOM 15466 HB2 ASN B 439 161.655 227.783 236.614 1.00 46.92 H +ATOM 15467 HB3 ASN B 439 160.746 226.884 235.668 1.00 46.92 H +ATOM 15468 HD21 ASN B 439 159.619 229.652 234.237 1.00 43.81 H +ATOM 15469 HD22 ASN B 439 160.384 228.387 234.051 1.00 43.81 H +ATOM 15470 N VAL B 440 158.673 224.950 237.880 1.00 33.71 N +ATOM 15471 CA VAL B 440 157.502 224.112 237.629 1.00 45.68 C +ATOM 15472 C VAL B 440 156.325 224.623 238.461 1.00 34.49 C +ATOM 15473 O VAL B 440 156.433 224.720 239.677 1.00 37.35 O +ATOM 15474 CB VAL B 440 157.760 222.632 237.972 1.00 46.13 C +ATOM 15475 CG1 VAL B 440 156.469 221.813 237.848 1.00 42.32 C +ATOM 15476 CG2 VAL B 440 158.840 222.063 237.061 1.00 49.33 C +ATOM 15477 H VAL B 440 159.186 224.660 238.506 1.00 40.45 H +ATOM 15478 HA VAL B 440 157.261 224.171 236.691 1.00 54.82 H +ATOM 15479 HB VAL B 440 158.072 222.568 238.888 1.00 55.35 H +ATOM 15480 HG11 VAL B 440 156.660 220.888 238.069 1.00 50.79 H +ATOM 15481 HG12 VAL B 440 155.809 222.170 238.463 1.00 50.79 H +ATOM 15482 HG13 VAL B 440 156.142 221.875 236.937 1.00 50.79 H +ATOM 15483 HG21 VAL B 440 158.988 221.133 237.292 1.00 59.20 H +ATOM 15484 HG22 VAL B 440 158.545 222.134 236.140 1.00 59.20 H +ATOM 15485 HG23 VAL B 440 159.657 222.570 237.187 1.00 59.20 H +ATOM 15486 N PRO B 441 155.191 224.947 237.812 1.00 39.44 N +ATOM 15487 CA PRO B 441 154.030 225.414 238.581 1.00 47.65 C +ATOM 15488 C PRO B 441 153.558 224.378 239.603 1.00 51.28 C +ATOM 15489 O PRO B 441 153.543 223.193 239.282 1.00 56.60 O +ATOM 15490 CB PRO B 441 152.960 225.635 237.510 1.00 46.35 C +ATOM 15491 CG PRO B 441 153.696 225.730 236.227 1.00 48.76 C +ATOM 15492 CD PRO B 441 154.901 224.875 236.371 1.00 50.94 C +ATOM 15493 HA PRO B 441 154.226 226.252 239.028 1.00 57.18 H +ATOM 15494 HB2 PRO B 441 152.350 224.881 237.499 1.00 55.62 H +ATOM 15495 HB3 PRO B 441 152.483 226.460 237.691 1.00 55.62 H +ATOM 15496 HG2 PRO B 441 153.134 225.404 235.507 1.00 58.52 H +ATOM 15497 HG3 PRO B 441 153.952 226.652 236.068 1.00 58.52 H +ATOM 15498 HD2 PRO B 441 154.702 223.962 236.111 1.00 61.13 H +ATOM 15499 HD3 PRO B 441 155.639 225.240 235.858 1.00 61.13 H +ATOM 15500 N PRO B 442 153.174 224.814 240.815 1.00 62.21 N +ATOM 15501 CA PRO B 442 152.694 223.864 241.828 1.00 51.91 C +ATOM 15502 C PRO B 442 151.521 223.009 241.355 1.00 47.81 C +ATOM 15503 O PRO B 442 151.340 221.895 241.845 1.00 52.62 O +ATOM 15504 CB PRO B 442 152.265 224.777 242.981 1.00 58.38 C +ATOM 15505 CG PRO B 442 153.090 225.996 242.819 1.00 59.30 C +ATOM 15506 CD PRO B 442 153.243 226.187 241.343 1.00 53.10 C +ATOM 15507 HA PRO B 442 153.417 223.289 242.123 1.00 62.29 H +ATOM 15508 HB2 PRO B 442 151.322 224.986 242.900 1.00 70.06 H +ATOM 15509 HB3 PRO B 442 152.452 224.344 243.829 1.00 70.06 H +ATOM 15510 HG2 PRO B 442 152.632 226.754 243.215 1.00 71.16 H +ATOM 15511 HG3 PRO B 442 153.955 225.862 243.237 1.00 71.16 H +ATOM 15512 HD2 PRO B 442 152.514 226.722 240.994 1.00 63.72 H +ATOM 15513 HD3 PRO B 442 154.105 226.584 241.141 1.00 63.72 H +ATOM 15514 N ALA B 443 150.743 223.529 240.410 1.00 49.87 N +ATOM 15515 CA ALA B 443 149.565 222.828 239.905 1.00 49.67 C +ATOM 15516 C ALA B 443 149.930 221.497 239.247 1.00 54.93 C +ATOM 15517 O ALA B 443 149.219 220.506 239.407 1.00 54.42 O +ATOM 15518 CB ALA B 443 148.818 223.709 238.919 1.00 48.23 C +ATOM 15519 H ALA B 443 150.877 224.295 240.042 1.00 59.84 H +ATOM 15520 HA ALA B 443 148.970 222.640 240.647 1.00 59.61 H +ATOM 15521 HB1 ALA B 443 148.040 223.229 238.594 1.00 57.88 H +ATOM 15522 HB2 ALA B 443 148.540 224.522 239.370 1.00 57.88 H +ATOM 15523 HB3 ALA B 443 149.407 223.925 238.179 1.00 57.88 H +ATOM 15524 N VAL B 444 151.034 221.482 238.506 1.00 56.66 N +ATOM 15525 CA VAL B 444 151.490 220.270 237.829 1.00 57.15 C +ATOM 15526 C VAL B 444 152.744 219.728 238.509 1.00 60.01 C +ATOM 15527 O VAL B 444 153.632 219.170 237.864 1.00 55.66 O +ATOM 15528 CB VAL B 444 151.763 220.529 236.333 1.00 52.84 C +ATOM 15529 CG1 VAL B 444 150.485 220.992 235.646 1.00 47.31 C +ATOM 15530 CG2 VAL B 444 152.871 221.558 236.145 1.00 67.65 C +ATOM 15531 H VAL B 444 151.540 222.165 238.378 1.00 67.99 H +ATOM 15532 HA VAL B 444 150.798 219.594 237.894 1.00 68.58 H +ATOM 15533 HB VAL B 444 152.047 219.701 235.915 1.00 63.41 H +ATOM 15534 HG11 VAL B 444 150.671 221.151 234.707 1.00 56.77 H +ATOM 15535 HG12 VAL B 444 149.809 220.302 235.737 1.00 56.77 H +ATOM 15536 HG13 VAL B 444 150.180 221.812 236.066 1.00 56.77 H +ATOM 15537 HG21 VAL B 444 153.016 221.695 235.195 1.00 81.19 H +ATOM 15538 HG22 VAL B 444 152.602 222.391 236.563 1.00 81.19 H +ATOM 15539 HG23 VAL B 444 153.683 221.227 236.559 1.00 81.19 H +ATOM 15540 N GLN B 445 152.796 219.892 239.825 1.00 63.24 N +ATOM 15541 CA GLN B 445 153.906 219.403 240.632 1.00 56.69 C +ATOM 15542 C GLN B 445 154.008 217.880 240.593 1.00 55.97 C +ATOM 15543 O GLN B 445 155.089 217.330 240.383 1.00 57.20 O +ATOM 15544 CB GLN B 445 153.743 219.884 242.075 1.00 61.55 C +ATOM 15545 CG GLN B 445 154.710 219.264 243.068 1.00 69.18 C +ATOM 15546 CD GLN B 445 154.530 219.810 244.469 1.00 73.43 C +ATOM 15547 OE1 GLN B 445 154.035 220.921 244.656 1.00 72.13 O +ATOM 15548 NE2 GLN B 445 154.926 219.025 245.464 1.00 75.63 N +ATOM 15549 H GLN B 445 152.187 220.291 240.283 1.00 75.89 H +ATOM 15550 HA GLN B 445 154.735 219.769 240.285 1.00 68.03 H +ATOM 15551 HB2 GLN B 445 153.876 220.845 242.098 1.00 73.86 H +ATOM 15552 HB3 GLN B 445 152.844 219.673 242.371 1.00 73.86 H +ATOM 15553 HG2 GLN B 445 154.563 218.305 243.098 1.00 83.02 H +ATOM 15554 HG3 GLN B 445 155.619 219.452 242.786 1.00 83.02 H +ATOM 15555 HE21 GLN B 445 155.264 218.253 245.295 1.00 90.76 H +ATOM 15556 HE22 GLN B 445 154.845 219.290 246.279 1.00 90.76 H +ATOM 15557 N LYS B 446 152.881 217.207 240.800 1.00 56.41 N +ATOM 15558 CA LYS B 446 152.856 215.746 240.858 1.00 68.63 C +ATOM 15559 C LYS B 446 153.176 215.117 239.504 1.00 55.12 C +ATOM 15560 O LYS B 446 153.565 213.953 239.432 1.00 48.32 O +ATOM 15561 CB LYS B 446 151.492 215.257 241.358 1.00 58.88 C +ATOM 15562 CG LYS B 446 151.450 214.975 242.856 1.00 73.01 C +ATOM 15563 CD LYS B 446 151.643 213.492 243.146 1.00 84.91 C +ATOM 15564 CE LYS B 446 152.049 213.240 244.593 1.00 93.26 C +ATOM 15565 NZ LYS B 446 151.099 213.811 245.583 1.00 97.79 N +ATOM 15566 H LYS B 446 152.111 217.574 240.911 1.00 67.69 H +ATOM 15567 HA LYS B 446 153.528 215.448 241.490 1.00 82.35 H +ATOM 15568 HB2 LYS B 446 150.827 215.936 241.165 1.00 70.65 H +ATOM 15569 HB3 LYS B 446 151.267 214.435 240.895 1.00 70.65 H +ATOM 15570 HG2 LYS B 446 152.162 215.466 243.295 1.00 87.61 H +ATOM 15571 HG3 LYS B 446 150.588 215.244 243.208 1.00 87.61 H +ATOM 15572 HD2 LYS B 446 150.810 213.024 242.980 1.00101.89 H +ATOM 15573 HD3 LYS B 446 152.343 213.143 242.571 1.00101.89 H +ATOM 15574 HE2 LYS B 446 152.096 212.283 244.744 1.00111.91 H +ATOM 15575 HE3 LYS B 446 152.918 213.641 244.749 1.00111.91 H +ATOM 15576 HZ1 LYS B 446 151.380 213.637 246.409 1.00117.35 H +ATOM 15577 HZ2 LYS B 446 151.042 214.692 245.476 1.00117.35 H +ATOM 15578 HZ3 LYS B 446 150.292 213.453 245.470 1.00117.35 H +ATOM 15579 N VAL B 447 153.016 215.890 238.435 1.00 52.85 N +ATOM 15580 CA VAL B 447 153.380 215.428 237.102 1.00 49.53 C +ATOM 15581 C VAL B 447 154.896 215.298 237.002 1.00 57.25 C +ATOM 15582 O VAL B 447 155.411 214.336 236.430 1.00 55.03 O +ATOM 15583 CB VAL B 447 152.862 216.383 236.008 1.00 50.44 C +ATOM 15584 CG1 VAL B 447 153.367 215.966 234.634 1.00 64.40 C +ATOM 15585 CG2 VAL B 447 151.344 216.418 236.016 1.00 52.84 C +ATOM 15586 H VAL B 447 152.697 216.688 238.455 1.00 63.42 H +ATOM 15587 HA VAL B 447 152.990 214.553 236.950 1.00 59.43 H +ATOM 15588 HB VAL B 447 153.185 217.280 236.189 1.00 60.53 H +ATOM 15589 HG11 VAL B 447 153.024 216.585 233.971 1.00 77.28 H +ATOM 15590 HG12 VAL B 447 154.337 215.985 234.635 1.00 77.28 H +ATOM 15591 HG13 VAL B 447 153.054 215.068 234.442 1.00 77.28 H +ATOM 15592 HG21 VAL B 447 151.039 217.023 235.322 1.00 63.40 H +ATOM 15593 HG22 VAL B 447 151.007 215.524 235.847 1.00 63.40 H +ATOM 15594 HG23 VAL B 447 151.040 216.727 236.883 1.00 63.40 H +ATOM 15595 N SER B 448 155.606 216.275 237.557 1.00 51.55 N +ATOM 15596 CA SER B 448 157.063 216.231 237.593 1.00 52.89 C +ATOM 15597 C SER B 448 157.535 215.040 238.411 1.00 50.58 C +ATOM 15598 O SER B 448 158.523 214.394 238.068 1.00 49.53 O +ATOM 15599 CB SER B 448 157.632 217.524 238.175 1.00 53.95 C +ATOM 15600 OG SER B 448 157.432 218.609 237.290 1.00 69.74 O +ATOM 15601 H SER B 448 155.267 216.977 237.921 1.00 61.87 H +ATOM 15602 HA SER B 448 157.401 216.131 236.689 1.00 63.47 H +ATOM 15603 HB2 SER B 448 157.186 217.715 239.015 1.00 64.73 H +ATOM 15604 HB3 SER B 448 158.584 217.410 238.324 1.00 64.73 H +ATOM 15605 HG SER B 448 157.749 219.312 237.622 1.00 83.69 H +ATOM 15606 N GLN B 449 156.825 214.753 239.496 1.00 48.96 N +ATOM 15607 CA GLN B 449 157.168 213.621 240.344 1.00 55.86 C +ATOM 15608 C GLN B 449 156.964 212.312 239.590 1.00 53.66 C +ATOM 15609 O GLN B 449 157.771 211.391 239.698 1.00 48.91 O +ATOM 15610 CB GLN B 449 156.332 213.631 241.623 1.00 48.70 C +ATOM 15611 CG GLN B 449 156.809 212.629 242.655 1.00 64.71 C +ATOM 15612 CD GLN B 449 156.109 212.774 243.986 1.00 69.21 C +ATOM 15613 OE1 GLN B 449 155.239 213.626 244.154 1.00 67.50 O +ATOM 15614 NE2 GLN B 449 156.494 211.944 244.947 1.00 80.02 N +ATOM 15615 H GLN B 449 156.139 215.199 239.762 1.00 58.75 H +ATOM 15616 HA GLN B 449 158.103 213.683 240.594 1.00 67.03 H +ATOM 15617 HB2 GLN B 449 156.376 214.514 242.021 1.00 58.44 H +ATOM 15618 HB3 GLN B 449 155.413 213.414 241.400 1.00 58.44 H +ATOM 15619 HG2 GLN B 449 156.642 211.733 242.325 1.00 77.66 H +ATOM 15620 HG3 GLN B 449 157.760 212.757 242.801 1.00 77.66 H +ATOM 15621 HE21 GLN B 449 157.110 211.364 244.794 1.00 96.03 H +ATOM 15622 HE22 GLN B 449 156.126 211.985 245.724 1.00 96.03 H +ATOM 15623 N ALA B 450 155.881 212.241 238.824 1.00 55.02 N +ATOM 15624 CA ALA B 450 155.574 211.051 238.042 1.00 51.16 C +ATOM 15625 C ALA B 450 156.608 210.848 236.939 1.00 52.38 C +ATOM 15626 O ALA B 450 156.920 209.719 236.571 1.00 47.70 O +ATOM 15627 CB ALA B 450 154.182 211.152 237.450 1.00 49.03 C +ATOM 15628 H ALA B 450 155.304 212.873 238.739 1.00 66.02 H +ATOM 15629 HA ALA B 450 155.599 210.275 238.624 1.00 61.39 H +ATOM 15630 HB1 ALA B 450 154.000 210.351 236.934 1.00 58.83 H +ATOM 15631 HB2 ALA B 450 153.538 211.237 238.170 1.00 58.83 H +ATOM 15632 HB3 ALA B 450 154.140 211.932 236.875 1.00 58.83 H +ATOM 15633 N SER B 451 157.138 211.948 236.414 1.00 45.54 N +ATOM 15634 CA SER B 451 158.134 211.878 235.354 1.00 48.65 C +ATOM 15635 C SER B 451 159.447 211.314 235.893 1.00 48.39 C +ATOM 15636 O SER B 451 160.159 210.599 235.188 1.00 54.25 O +ATOM 15637 CB SER B 451 158.357 213.258 234.736 1.00 54.89 C +ATOM 15638 OG SER B 451 159.095 213.164 233.531 1.00 55.90 O +ATOM 15639 H SER B 451 156.936 212.748 236.656 1.00 54.65 H +ATOM 15640 HA SER B 451 157.814 211.283 234.657 1.00 58.38 H +ATOM 15641 HB2 SER B 451 157.496 213.662 234.547 1.00 65.87 H +ATOM 15642 HB3 SER B 451 158.850 213.809 235.364 1.00 65.87 H +ATOM 15643 HG SER B 451 159.209 213.929 233.203 1.00 67.08 H +ATOM 15644 N ILE B 452 159.761 211.635 237.145 1.00 48.46 N +ATOM 15645 CA ILE B 452 160.939 211.085 237.804 1.00 43.85 C +ATOM 15646 C ILE B 452 160.716 209.613 238.132 1.00 46.22 C +ATOM 15647 O ILE B 452 161.544 208.764 237.806 1.00 43.67 O +ATOM 15648 CB ILE B 452 161.284 211.850 239.104 1.00 45.52 C +ATOM 15649 CG1 ILE B 452 161.693 213.291 238.784 1.00 53.11 C +ATOM 15650 CG2 ILE B 452 162.412 211.146 239.870 1.00 39.62 C +ATOM 15651 CD1 ILE B 452 161.900 214.167 240.010 1.00 51.07 C +ATOM 15652 H ILE B 452 159.304 212.173 237.636 1.00 58.16 H +ATOM 15653 HA ILE B 452 161.699 211.150 237.205 1.00 52.62 H +ATOM 15654 HB ILE B 452 160.495 211.872 239.668 1.00 54.63 H +ATOM 15655 HG12 ILE B 452 162.527 213.275 238.289 1.00 63.73 H +ATOM 15656 HG13 ILE B 452 160.999 213.699 238.244 1.00 63.73 H +ATOM 15657 HG21 ILE B 452 162.606 211.647 240.677 1.00 47.55 H +ATOM 15658 HG22 ILE B 452 162.125 210.248 240.098 1.00 47.55 H +ATOM 15659 HG23 ILE B 452 163.200 211.108 239.306 1.00 47.55 H +ATOM 15660 HD11 ILE B 452 162.156 215.057 239.722 1.00 61.29 H +ATOM 15661 HD12 ILE B 452 161.072 214.206 240.513 1.00 61.29 H +ATOM 15662 HD13 ILE B 452 162.602 213.781 240.558 1.00 61.29 H +ATOM 15663 N ASP B 453 159.599 209.321 238.791 1.00 52.18 N +ATOM 15664 CA ASP B 453 159.286 207.961 239.215 1.00 47.04 C +ATOM 15665 C ASP B 453 159.282 206.992 238.040 1.00 46.43 C +ATOM 15666 O ASP B 453 159.807 205.884 238.134 1.00 42.28 O +ATOM 15667 CB ASP B 453 157.925 207.918 239.916 1.00 52.11 C +ATOM 15668 CG ASP B 453 157.956 208.547 241.297 1.00 55.28 C +ATOM 15669 OD1 ASP B 453 159.009 208.481 241.962 1.00 53.75 O +ATOM 15670 OD2 ASP B 453 156.921 209.102 241.719 1.00 53.48 O +ATOM 15671 H ASP B 453 159.000 209.900 239.007 1.00 62.61 H +ATOM 15672 HA ASP B 453 159.959 207.664 239.847 1.00 56.45 H +ATOM 15673 HB2 ASP B 453 157.278 208.402 239.380 1.00 62.53 H +ATOM 15674 HB3 ASP B 453 157.649 206.993 240.014 1.00 62.53 H +ATOM 15675 N GLN B 454 158.693 207.423 236.932 1.00 47.01 N +ATOM 15676 CA GLN B 454 158.535 206.565 235.769 1.00 37.42 C +ATOM 15677 C GLN B 454 159.869 206.324 235.066 1.00 44.64 C +ATOM 15678 O GLN B 454 160.063 205.286 234.436 1.00 39.88 O +ATOM 15679 CB GLN B 454 157.514 207.175 234.809 1.00 46.47 C +ATOM 15680 CG GLN B 454 156.082 207.086 235.328 1.00 47.32 C +ATOM 15681 CD GLN B 454 155.109 207.937 234.538 1.00 42.22 C +ATOM 15682 OE1 GLN B 454 155.422 208.415 233.448 1.00 53.78 O +ATOM 15683 NE2 GLN B 454 153.918 208.135 235.089 1.00 52.58 N +ATOM 15684 H GLN B 454 158.373 208.215 236.829 1.00 56.41 H +ATOM 15685 HA GLN B 454 158.193 205.705 236.059 1.00 44.90 H +ATOM 15686 HB2 GLN B 454 157.727 208.113 234.678 1.00 55.77 H +ATOM 15687 HB3 GLN B 454 157.557 206.704 233.963 1.00 55.77 H +ATOM 15688 HG2 GLN B 454 155.785 206.164 235.273 1.00 56.78 H +ATOM 15689 HG3 GLN B 454 156.062 207.386 236.250 1.00 56.78 H +ATOM 15690 HE21 GLN B 454 153.736 207.787 235.854 1.00 63.10 H +ATOM 15691 HE22 GLN B 454 153.329 208.611 234.682 1.00 63.10 H +ATOM 15692 N SER B 455 160.788 207.279 235.181 1.00 43.69 N +ATOM 15693 CA SER B 455 162.145 207.094 234.676 1.00 36.53 C +ATOM 15694 C SER B 455 162.834 205.944 235.399 1.00 35.83 C +ATOM 15695 O SER B 455 163.555 205.157 234.791 1.00 35.55 O +ATOM 15696 CB SER B 455 162.968 208.372 234.840 1.00 32.69 C +ATOM 15697 OG SER B 455 162.740 209.262 233.765 1.00 48.06 O +ATOM 15698 H SER B 455 160.651 208.045 235.548 1.00 52.43 H +ATOM 15699 HA SER B 455 162.107 206.877 233.732 1.00 43.83 H +ATOM 15700 HB2 SER B 455 162.714 208.807 235.669 1.00 39.23 H +ATOM 15701 HB3 SER B 455 163.910 208.141 234.863 1.00 39.23 H +ATOM 15702 HG SER B 455 162.956 208.897 233.040 1.00 57.68 H +ATOM 15703 N ARG B 456 162.608 205.862 236.705 1.00 37.15 N +ATOM 15704 CA ARG B 456 163.240 204.844 237.533 1.00 38.28 C +ATOM 15705 C ARG B 456 162.614 203.482 237.300 1.00 30.39 C +ATOM 15706 O ARG B 456 163.304 202.465 237.277 1.00 32.51 O +ATOM 15707 CB ARG B 456 163.131 205.221 239.004 1.00 38.21 C +ATOM 15708 CG ARG B 456 163.769 206.549 239.333 1.00 44.23 C +ATOM 15709 CD ARG B 456 163.396 206.994 240.723 1.00 47.49 C +ATOM 15710 NE ARG B 456 164.139 208.180 241.127 1.00 51.12 N +ATOM 15711 CZ ARG B 456 164.053 208.739 242.328 1.00 49.64 C +ATOM 15712 NH1 ARG B 456 163.254 208.218 243.248 1.00 55.31 N +ATOM 15713 NH2 ARG B 456 164.768 209.818 242.608 1.00 56.82 N +ATOM 15714 H ARG B 456 162.086 206.389 237.139 1.00 44.58 H +ATOM 15715 HA ARG B 456 164.181 204.788 237.304 1.00 45.94 H +ATOM 15716 HB2 ARG B 456 162.193 205.274 239.246 1.00 45.85 H +ATOM 15717 HB3 ARG B 456 163.571 204.540 239.536 1.00 45.85 H +ATOM 15718 HG2 ARG B 456 164.734 206.463 239.288 1.00 53.08 H +ATOM 15719 HG3 ARG B 456 163.459 207.219 238.704 1.00 53.08 H +ATOM 15720 HD2 ARG B 456 162.449 207.206 240.748 1.00 56.99 H +ATOM 15721 HD3 ARG B 456 163.596 206.282 241.351 1.00 56.99 H +ATOM 15722 HE ARG B 456 164.630 208.567 240.537 1.00 61.34 H +ATOM 15723 HH11 ARG B 456 162.789 207.517 243.067 1.00 66.37 H +ATOM 15724 HH12 ARG B 456 163.199 208.581 244.026 1.00 66.37 H +ATOM 15725 HH21 ARG B 456 165.287 210.157 242.012 1.00 68.18 H +ATOM 15726 HH22 ARG B 456 164.713 210.180 243.386 1.00 68.18 H +ATOM 15727 N GLN B 457 161.297 203.473 237.139 1.00 33.67 N +ATOM 15728 CA GLN B 457 160.572 202.256 236.816 1.00 33.95 C +ATOM 15729 C GLN B 457 161.065 201.690 235.487 1.00 38.81 C +ATOM 15730 O GLN B 457 161.050 200.478 235.276 1.00 43.46 O +ATOM 15731 CB GLN B 457 159.069 202.532 236.763 1.00 35.65 C +ATOM 15732 CG GLN B 457 158.225 201.339 236.344 1.00 49.49 C +ATOM 15733 CD GLN B 457 156.738 201.589 236.514 1.00 62.09 C +ATOM 15734 OE1 GLN B 457 156.320 202.678 236.914 1.00 53.12 O +ATOM 15735 NE2 GLN B 457 155.931 200.580 236.209 1.00 56.54 N +ATOM 15736 H GLN B 457 160.796 204.168 237.213 1.00 40.40 H +ATOM 15737 HA GLN B 457 160.735 201.594 237.506 1.00 40.74 H +ATOM 15738 HB2 GLN B 457 158.772 202.807 237.645 1.00 42.78 H +ATOM 15739 HB3 GLN B 457 158.906 203.246 236.126 1.00 42.78 H +ATOM 15740 HG2 GLN B 457 158.393 201.146 235.409 1.00 59.39 H +ATOM 15741 HG3 GLN B 457 158.466 200.574 236.890 1.00 59.39 H +ATOM 15742 HE21 GLN B 457 156.259 199.835 235.932 1.00 67.85 H +ATOM 15743 HE22 GLN B 457 155.079 200.671 236.288 1.00 67.85 H +ATOM 15744 N MET B 458 161.512 202.579 234.602 1.00 34.08 N +ATOM 15745 CA MET B 458 162.015 202.188 233.288 1.00 26.10 C +ATOM 15746 C MET B 458 163.539 202.049 233.273 1.00 26.25 C +ATOM 15747 O MET B 458 164.133 201.797 232.228 1.00 30.74 O +ATOM 15748 CB MET B 458 161.571 203.200 232.232 1.00 30.12 C +ATOM 15749 CG MET B 458 160.082 203.154 231.924 1.00 29.12 C +ATOM 15750 SD MET B 458 159.611 204.220 230.548 1.00 34.85 S +ATOM 15751 CE MET B 458 160.046 205.838 231.177 1.00 28.43 C +ATOM 15752 H MET B 458 161.533 203.427 234.741 1.00 40.90 H +ATOM 15753 HA MET B 458 161.626 201.331 233.053 1.00 31.32 H +ATOM 15754 HB2 MET B 458 161.781 204.093 232.548 1.00 36.14 H +ATOM 15755 HB3 MET B 458 162.050 203.022 231.408 1.00 36.14 H +ATOM 15756 HG2 MET B 458 159.836 202.244 231.696 1.00 34.95 H +ATOM 15757 HG3 MET B 458 159.590 203.443 232.708 1.00 34.95 H +ATOM 15758 HE1 MET B 458 159.832 206.505 230.507 1.00 34.11 H +ATOM 15759 HE2 MET B 458 159.540 206.008 231.987 1.00 34.11 H +ATOM 15760 HE3 MET B 458 160.997 205.856 231.371 1.00 34.11 H +ATOM 15761 N LYS B 459 164.164 202.219 234.433 1.00 31.55 N +ATOM 15762 CA LYS B 459 165.592 201.954 234.595 1.00 33.08 C +ATOM 15763 C LYS B 459 166.479 202.821 233.701 1.00 32.20 C +ATOM 15764 O LYS B 459 167.360 202.307 233.014 1.00 34.23 O +ATOM 15765 CB LYS B 459 165.885 200.477 234.313 1.00 43.07 C +ATOM 15766 CG LYS B 459 165.111 199.496 235.194 1.00 41.19 C +ATOM 15767 CD LYS B 459 165.677 199.424 236.602 1.00 57.78 C +ATOM 15768 CE LYS B 459 167.002 198.671 236.640 1.00 70.76 C +ATOM 15769 NZ LYS B 459 167.721 198.856 237.927 1.00 70.67 N +ATOM 15770 H LYS B 459 163.779 202.491 235.152 1.00 37.85 H +ATOM 15771 HA LYS B 459 165.839 202.134 235.516 1.00 39.70 H +ATOM 15772 HB2 LYS B 459 165.657 200.286 233.390 1.00 51.69 H +ATOM 15773 HB3 LYS B 459 166.831 200.316 234.455 1.00 51.69 H +ATOM 15774 HG2 LYS B 459 164.187 199.784 235.254 1.00 49.42 H +ATOM 15775 HG3 LYS B 459 165.160 198.610 234.803 1.00 49.42 H +ATOM 15776 HD2 LYS B 459 165.830 200.323 236.932 1.00 69.34 H +ATOM 15777 HD3 LYS B 459 165.048 198.959 237.176 1.00 69.34 H +ATOM 15778 HE2 LYS B 459 166.831 197.723 236.524 1.00 84.91 H +ATOM 15779 HE3 LYS B 459 167.572 198.997 235.927 1.00 84.91 H +ATOM 15780 HZ1 LYS B 459 168.488 198.404 237.915 1.00 84.80 H +ATOM 15781 HZ2 LYS B 459 167.896 199.719 238.056 1.00 84.80 H +ATOM 15782 HZ3 LYS B 459 167.221 198.559 238.600 1.00 84.80 H +ATOM 15783 N TYR B 460 166.255 204.131 233.716 1.00 28.99 N +ATOM 15784 CA TYR B 460 167.098 205.051 232.959 1.00 27.62 C +ATOM 15785 C TYR B 460 168.515 205.080 233.512 1.00 27.60 C +ATOM 15786 O TYR B 460 168.719 205.019 234.723 1.00 27.76 O +ATOM 15787 CB TYR B 460 166.530 206.474 232.984 1.00 32.58 C +ATOM 15788 CG TYR B 460 165.419 206.748 231.998 1.00 29.73 C +ATOM 15789 CD1 TYR B 460 164.692 205.715 231.429 1.00 31.16 C +ATOM 15790 CD2 TYR B 460 165.106 208.049 231.629 1.00 32.88 C +ATOM 15791 CE1 TYR B 460 163.681 205.970 230.530 1.00 33.03 C +ATOM 15792 CE2 TYR B 460 164.099 208.313 230.728 1.00 23.58 C +ATOM 15793 CZ TYR B 460 163.390 207.270 230.183 1.00 28.21 C +ATOM 15794 OH TYR B 460 162.384 207.527 229.286 1.00 32.52 O +ATOM 15795 H TYR B 460 165.623 204.513 234.157 1.00 34.79 H +ATOM 15796 HA TYR B 460 167.139 204.758 232.035 1.00 33.14 H +ATOM 15797 HB2 TYR B 460 166.180 206.649 233.872 1.00 39.10 H +ATOM 15798 HB3 TYR B 460 167.249 207.096 232.792 1.00 39.10 H +ATOM 15799 HD1 TYR B 460 164.886 204.836 231.663 1.00 37.40 H +ATOM 15800 HD2 TYR B 460 165.585 208.756 231.999 1.00 39.46 H +ATOM 15801 HE1 TYR B 460 163.199 205.268 230.157 1.00 39.63 H +ATOM 15802 HE2 TYR B 460 163.899 209.190 230.492 1.00 28.30 H +ATOM 15803 HH TYR B 460 162.312 208.355 229.164 1.00 39.02 H +ATOM 15804 N GLN B 461 169.492 205.185 232.618 1.00 29.80 N +ATOM 15805 CA GLN B 461 170.865 205.436 233.029 1.00 31.09 C +ATOM 15806 C GLN B 461 170.993 206.885 233.490 1.00 30.55 C +ATOM 15807 O GLN B 461 170.038 207.656 233.406 1.00 30.39 O +ATOM 15808 CB GLN B 461 171.841 205.135 231.890 1.00 30.23 C +ATOM 15809 CG GLN B 461 172.081 203.648 231.678 1.00 33.43 C +ATOM 15810 CD GLN B 461 173.051 203.360 230.553 1.00 31.84 C +ATOM 15811 OE1 GLN B 461 174.171 203.871 230.534 1.00 29.88 O +ATOM 15812 NE2 GLN B 461 172.624 202.535 229.606 1.00 28.29 N +ATOM 15813 H GLN B 461 169.385 205.115 231.768 1.00 35.76 H +ATOM 15814 HA GLN B 461 171.085 204.859 233.777 1.00 37.31 H +ATOM 15815 HB2 GLN B 461 171.484 205.500 231.066 1.00 36.28 H +ATOM 15816 HB3 GLN B 461 172.695 205.549 232.091 1.00 36.28 H +ATOM 15817 HG2 GLN B 461 172.446 203.268 232.492 1.00 40.11 H +ATOM 15818 HG3 GLN B 461 171.237 203.220 231.462 1.00 40.11 H +ATOM 15819 HE21 GLN B 461 171.835 202.197 229.654 1.00 33.94 H +ATOM 15820 HE22 GLN B 461 173.137 202.339 228.944 1.00 33.94 H +ATOM 15821 N SER B 462 172.168 207.254 233.983 1.00 30.51 N +ATOM 15822 CA SER B 462 172.356 208.576 234.563 1.00 34.02 C +ATOM 15823 C SER B 462 172.419 209.670 233.504 1.00 36.49 C +ATOM 15824 O SER B 462 172.590 209.402 232.314 1.00 31.17 O +ATOM 15825 CB SER B 462 173.627 208.611 235.411 1.00 35.87 C +ATOM 15826 OG SER B 462 174.783 208.600 234.595 1.00 36.03 O +ATOM 15827 H SER B 462 172.871 206.759 233.994 1.00 36.61 H +ATOM 15828 HA SER B 462 171.605 208.770 235.146 1.00 40.83 H +ATOM 15829 HB2 SER B 462 173.626 209.420 235.946 1.00 43.04 H +ATOM 15830 HB3 SER B 462 173.641 207.832 235.988 1.00 43.04 H +ATOM 15831 HG SER B 462 175.473 208.619 235.074 1.00 43.24 H +ATOM 15832 N PHE B 463 172.276 210.906 233.965 1.00 34.02 N +ATOM 15833 CA PHE B 463 172.367 212.084 233.116 1.00 32.76 C +ATOM 15834 C PHE B 463 173.698 212.134 232.378 1.00 34.16 C +ATOM 15835 O PHE B 463 173.745 212.441 231.188 1.00 33.23 O +ATOM 15836 CB PHE B 463 172.182 213.340 233.971 1.00 34.65 C +ATOM 15837 CG PHE B 463 172.248 214.626 233.203 1.00 29.95 C +ATOM 15838 CD1 PHE B 463 171.227 214.989 232.345 1.00 37.86 C +ATOM 15839 CD2 PHE B 463 173.316 215.487 233.366 1.00 31.76 C +ATOM 15840 CE1 PHE B 463 171.277 216.181 231.658 1.00 33.77 C +ATOM 15841 CE2 PHE B 463 173.371 216.678 232.678 1.00 37.20 C +ATOM 15842 CZ PHE B 463 172.351 217.025 231.822 1.00 37.85 C +ATOM 15843 H PHE B 463 172.121 211.092 234.790 1.00 40.82 H +ATOM 15844 HA PHE B 463 171.656 212.058 232.457 1.00 39.31 H +ATOM 15845 HB2 PHE B 463 171.314 213.297 234.401 1.00 41.59 H +ATOM 15846 HB3 PHE B 463 172.880 213.363 234.644 1.00 41.59 H +ATOM 15847 HD1 PHE B 463 170.497 214.424 232.231 1.00 45.43 H +ATOM 15848 HD2 PHE B 463 174.007 215.258 233.945 1.00 38.11 H +ATOM 15849 HE1 PHE B 463 170.588 216.413 231.078 1.00 40.53 H +ATOM 15850 HE2 PHE B 463 174.098 217.248 232.790 1.00 44.64 H +ATOM 15851 HZ PHE B 463 172.388 217.828 231.355 1.00 45.42 H +ATOM 15852 N ASN B 464 174.778 211.827 233.087 1.00 31.18 N +ATOM 15853 CA ASN B 464 176.111 211.863 232.495 1.00 31.90 C +ATOM 15854 C ASN B 464 176.299 210.784 231.430 1.00 34.82 C +ATOM 15855 O ASN B 464 177.066 210.970 230.489 1.00 34.38 O +ATOM 15856 CB ASN B 464 177.183 211.717 233.584 1.00 39.18 C +ATOM 15857 CG ASN B 464 177.842 213.044 233.952 1.00 38.78 C +ATOM 15858 OD1 ASN B 464 177.462 214.104 233.454 1.00 33.97 O +ATOM 15859 ND2 ASN B 464 178.834 212.983 234.835 1.00 38.10 N +ATOM 15860 H ASN B 464 174.767 211.595 233.915 1.00 37.42 H +ATOM 15861 HA ASN B 464 176.238 212.724 232.068 1.00 38.27 H +ATOM 15862 HB2 ASN B 464 176.772 211.355 234.385 1.00 47.01 H +ATOM 15863 HB3 ASN B 464 177.876 211.117 233.266 1.00 47.01 H +ATOM 15864 HD21 ASN B 464 179.239 213.702 235.077 1.00 45.71 H +ATOM 15865 HD22 ASN B 464 179.071 212.225 235.165 1.00 45.71 H +ATOM 15866 N GLU B 465 175.603 209.661 231.571 1.00 30.53 N +ATOM 15867 CA GLU B 465 175.680 208.609 230.565 1.00 34.65 C +ATOM 15868 C GLU B 465 175.004 209.060 229.275 1.00 39.70 C +ATOM 15869 O GLU B 465 175.469 208.748 228.178 1.00 35.81 O +ATOM 15870 CB GLU B 465 175.040 207.313 231.072 1.00 34.44 C +ATOM 15871 CG GLU B 465 175.836 206.594 232.155 1.00 41.61 C +ATOM 15872 CD GLU B 465 177.277 206.355 231.759 1.00 41.62 C +ATOM 15873 OE1 GLU B 465 177.514 205.636 230.768 1.00 42.88 O +ATOM 15874 OE2 GLU B 465 178.174 206.898 232.437 1.00 49.24 O +ATOM 15875 H GLU B 465 175.083 209.484 232.233 1.00 36.64 H +ATOM 15876 HA GLU B 465 176.612 208.427 230.369 1.00 41.58 H +ATOM 15877 HB2 GLU B 465 174.166 207.521 231.440 1.00 41.32 H +ATOM 15878 HB3 GLU B 465 174.942 206.702 230.325 1.00 41.32 H +ATOM 15879 HG2 GLU B 465 175.832 207.133 232.961 1.00 49.94 H +ATOM 15880 HG3 GLU B 465 175.426 205.732 232.330 1.00 49.94 H +ATOM 15881 N TYR B 466 173.909 209.801 229.409 1.00 29.68 N +ATOM 15882 CA TYR B 466 173.196 210.310 228.247 1.00 32.92 C +ATOM 15883 C TYR B 466 173.966 211.444 227.578 1.00 28.68 C +ATOM 15884 O TYR B 466 173.889 211.616 226.364 1.00 30.31 O +ATOM 15885 CB TYR B 466 171.789 210.767 228.639 1.00 25.61 C +ATOM 15886 CG TYR B 466 170.812 209.619 228.687 1.00 26.55 C +ATOM 15887 CD1 TYR B 466 170.262 209.107 227.519 1.00 25.98 C +ATOM 15888 CD2 TYR B 466 170.461 209.026 229.891 1.00 29.00 C +ATOM 15889 CE1 TYR B 466 169.384 208.048 227.552 1.00 24.75 C +ATOM 15890 CE2 TYR B 466 169.580 207.967 229.932 1.00 30.55 C +ATOM 15891 CZ TYR B 466 169.045 207.483 228.761 1.00 27.79 C +ATOM 15892 OH TYR B 466 168.169 206.432 228.798 1.00 21.47 O +ATOM 15893 H TYR B 466 173.560 210.023 230.163 1.00 35.61 H +ATOM 15894 HA TYR B 466 173.104 209.593 227.599 1.00 39.50 H +ATOM 15895 HB2 TYR B 466 171.820 211.173 229.519 1.00 30.73 H +ATOM 15896 HB3 TYR B 466 171.469 211.408 227.985 1.00 30.73 H +ATOM 15897 HD1 TYR B 466 170.490 209.486 226.701 1.00 31.18 H +ATOM 15898 HD2 TYR B 466 170.823 209.352 230.684 1.00 34.80 H +ATOM 15899 HE1 TYR B 466 169.018 207.719 226.763 1.00 29.70 H +ATOM 15900 HE2 TYR B 466 169.349 207.582 230.747 1.00 36.66 H +ATOM 15901 HH TYR B 466 167.919 206.238 228.020 1.00 25.77 H +ATOM 15902 N ARG B 467 174.717 212.205 228.367 1.00 30.36 N +ATOM 15903 CA ARG B 467 175.613 213.216 227.819 1.00 32.84 C +ATOM 15904 C ARG B 467 176.616 212.573 226.871 1.00 33.44 C +ATOM 15905 O ARG B 467 176.808 213.036 225.746 1.00 33.67 O +ATOM 15906 CB ARG B 467 176.361 213.949 228.930 1.00 31.63 C +ATOM 15907 CG ARG B 467 175.473 214.697 229.913 1.00 31.66 C +ATOM 15908 CD ARG B 467 175.403 216.175 229.612 1.00 35.51 C +ATOM 15909 NE ARG B 467 176.724 216.782 229.480 1.00 36.15 N +ATOM 15910 CZ ARG B 467 176.940 217.995 228.982 1.00 40.84 C +ATOM 15911 NH1 ARG B 467 178.175 218.465 228.893 1.00 34.28 N +ATOM 15912 NH2 ARG B 467 175.922 218.741 228.571 1.00 33.19 N +ATOM 15913 H ARG B 467 174.727 212.155 229.226 1.00 36.43 H +ATOM 15914 HA ARG B 467 175.095 213.866 227.319 1.00 39.41 H +ATOM 15915 HB2 ARG B 467 176.877 213.301 229.435 1.00 37.96 H +ATOM 15916 HB3 ARG B 467 176.959 214.597 228.524 1.00 37.96 H +ATOM 15917 HG2 ARG B 467 174.573 214.337 229.866 1.00 37.99 H +ATOM 15918 HG3 ARG B 467 175.829 214.588 230.809 1.00 37.99 H +ATOM 15919 HD2 ARG B 467 174.927 216.306 228.778 1.00 42.62 H +ATOM 15920 HD3 ARG B 467 174.937 216.624 230.335 1.00 42.62 H +ATOM 15921 HE ARG B 467 177.400 216.343 229.779 1.00 43.38 H +ATOM 15922 HH11 ARG B 467 178.838 217.986 229.159 1.00 41.13 H +ATOM 15923 HH12 ARG B 467 178.314 219.251 228.573 1.00 41.13 H +ATOM 15924 HH21 ARG B 467 175.118 218.439 228.625 1.00 39.83 H +ATOM 15925 HH22 ARG B 467 176.066 219.526 228.250 1.00 39.83 H +ATOM 15926 N LYS B 468 177.257 211.506 227.337 1.00 34.49 N +ATOM 15927 CA LYS B 468 178.266 210.809 226.547 1.00 36.15 C +ATOM 15928 C LYS B 468 177.649 210.149 225.313 1.00 33.71 C +ATOM 15929 O LYS B 468 178.273 210.092 224.256 1.00 25.35 O +ATOM 15930 CB LYS B 468 178.985 209.766 227.407 1.00 43.48 C +ATOM 15931 CG LYS B 468 179.809 210.374 228.541 1.00 46.25 C +ATOM 15932 CD LYS B 468 180.773 209.373 229.160 1.00 46.93 C +ATOM 15933 CE LYS B 468 180.067 208.375 230.062 1.00 45.17 C +ATOM 15934 NZ LYS B 468 181.037 207.441 230.705 1.00 62.35 N +ATOM 15935 H LYS B 468 177.125 211.163 228.114 1.00 41.39 H +ATOM 15936 HA LYS B 468 178.926 211.451 226.243 1.00 43.38 H +ATOM 15937 HB2 LYS B 468 178.324 209.176 227.802 1.00 52.17 H +ATOM 15938 HB3 LYS B 468 179.586 209.256 226.842 1.00 52.17 H +ATOM 15939 HG2 LYS B 468 180.327 211.116 228.193 1.00 55.50 H +ATOM 15940 HG3 LYS B 468 179.209 210.684 229.237 1.00 55.50 H +ATOM 15941 HD2 LYS B 468 181.215 208.879 228.452 1.00 56.32 H +ATOM 15942 HD3 LYS B 468 181.427 209.851 229.693 1.00 56.32 H +ATOM 15943 HE2 LYS B 468 179.595 208.854 230.761 1.00 54.21 H +ATOM 15944 HE3 LYS B 468 179.444 207.851 229.534 1.00 54.21 H +ATOM 15945 HZ1 LYS B 468 180.604 206.866 231.228 1.00 74.82 H +ATOM 15946 HZ2 LYS B 468 181.481 206.987 230.082 1.00 74.82 H +ATOM 15947 HZ3 LYS B 468 181.619 207.899 231.199 1.00 74.82 H +ATOM 15948 N ARG B 469 176.420 209.664 225.455 1.00 36.54 N +ATOM 15949 CA ARG B 469 175.717 209.007 224.357 1.00 32.28 C +ATOM 15950 C ARG B 469 175.496 209.967 223.196 1.00 30.14 C +ATOM 15951 O ARG B 469 175.439 209.552 222.042 1.00 25.62 O +ATOM 15952 CB ARG B 469 174.380 208.444 224.847 1.00 32.46 C +ATOM 15953 CG ARG B 469 173.423 207.991 223.752 1.00 27.79 C +ATOM 15954 CD ARG B 469 174.011 206.884 222.883 1.00 30.36 C +ATOM 15955 NE ARG B 469 173.039 206.400 221.907 1.00 30.11 N +ATOM 15956 CZ ARG B 469 172.744 207.021 220.768 1.00 31.41 C +ATOM 15957 NH1 ARG B 469 173.344 208.158 220.444 1.00 32.54 N +ATOM 15958 NH2 ARG B 469 171.842 206.501 219.947 1.00 33.72 N +ATOM 15959 H ARG B 469 175.966 209.704 226.185 1.00 43.85 H +ATOM 15960 HA ARG B 469 176.255 208.267 224.036 1.00 38.73 H +ATOM 15961 HB2 ARG B 469 174.558 207.677 225.414 1.00 38.95 H +ATOM 15962 HB3 ARG B 469 173.928 209.130 225.363 1.00 38.95 H +ATOM 15963 HG2 ARG B 469 172.610 207.654 224.160 1.00 33.35 H +ATOM 15964 HG3 ARG B 469 173.218 208.746 223.178 1.00 33.35 H +ATOM 15965 HD2 ARG B 469 174.780 207.228 222.402 1.00 36.44 H +ATOM 15966 HD3 ARG B 469 174.272 206.139 223.446 1.00 36.44 H +ATOM 15967 HE ARG B 469 172.630 205.664 222.079 1.00 36.13 H +ATOM 15968 HH11 ARG B 469 173.929 208.501 220.973 1.00 39.05 H +ATOM 15969 HH12 ARG B 469 173.148 208.553 219.706 1.00 39.05 H +ATOM 15970 HH21 ARG B 469 171.449 205.764 220.150 1.00 40.46 H +ATOM 15971 HH22 ARG B 469 171.651 206.901 219.209 1.00 40.46 H +ATOM 15972 N PHE B 470 175.378 211.254 223.505 1.00 28.80 N +ATOM 15973 CA PHE B 470 175.186 212.270 222.478 1.00 36.97 C +ATOM 15974 C PHE B 470 176.415 213.170 222.349 1.00 37.48 C +ATOM 15975 O PHE B 470 176.308 214.349 222.014 1.00 28.16 O +ATOM 15976 CB PHE B 470 173.921 213.071 222.779 1.00 31.97 C +ATOM 15977 CG PHE B 470 172.664 212.282 222.557 1.00 31.91 C +ATOM 15978 CD1 PHE B 470 172.141 211.487 223.561 1.00 28.35 C +ATOM 15979 CD2 PHE B 470 172.028 212.306 221.327 1.00 32.77 C +ATOM 15980 CE1 PHE B 470 170.998 210.750 223.350 1.00 28.92 C +ATOM 15981 CE2 PHE B 470 170.884 211.572 221.113 1.00 32.35 C +ATOM 15982 CZ PHE B 470 170.368 210.791 222.125 1.00 35.27 C +ATOM 15983 H PHE B 470 175.407 211.565 224.306 1.00 34.56 H +ATOM 15984 HA PHE B 470 175.057 211.827 221.625 1.00 44.37 H +ATOM 15985 HB2 PHE B 470 173.939 213.351 223.708 1.00 38.36 H +ATOM 15986 HB3 PHE B 470 173.894 213.848 222.199 1.00 38.36 H +ATOM 15987 HD1 PHE B 470 172.562 211.456 224.390 1.00 34.02 H +ATOM 15988 HD2 PHE B 470 172.373 212.832 220.642 1.00 39.32 H +ATOM 15989 HE1 PHE B 470 170.650 210.224 224.035 1.00 34.70 H +ATOM 15990 HE2 PHE B 470 170.460 211.601 220.285 1.00 38.82 H +ATOM 15991 HZ PHE B 470 169.594 210.295 221.983 1.00 42.32 H +ATOM 15992 N MET B 471 177.580 212.582 222.618 1.00 45.45 N +ATOM 15993 CA MET B 471 178.876 213.190 222.311 1.00 33.63 C +ATOM 15994 C MET B 471 179.131 214.487 223.073 1.00 24.54 C +ATOM 15995 O MET B 471 179.779 215.398 222.565 1.00 36.75 O +ATOM 15996 CB MET B 471 178.993 213.441 220.804 1.00 32.27 C +ATOM 15997 CG MET B 471 179.162 212.169 219.990 1.00 43.82 C +ATOM 15998 SD MET B 471 179.930 212.449 218.381 1.00 65.17 S +ATOM 15999 CE MET B 471 181.570 212.990 218.864 1.00143.43 C +ATOM 16000 H MET B 471 177.648 211.809 222.988 1.00 54.54 H +ATOM 16001 HA MET B 471 179.570 212.557 222.551 1.00 40.36 H +ATOM 16002 HB2 MET B 471 178.187 213.886 220.497 1.00 38.72 H +ATOM 16003 HB3 MET B 471 179.765 214.005 220.639 1.00 38.72 H +ATOM 16004 HG2 MET B 471 179.723 211.551 220.485 1.00 52.58 H +ATOM 16005 HG3 MET B 471 178.289 211.774 219.839 1.00 52.58 H +ATOM 16006 HE1 MET B 471 182.089 213.176 218.066 1.00172.12 H +ATOM 16007 HE2 MET B 471 181.491 213.794 219.402 1.00172.12 H +ATOM 16008 HE3 MET B 471 181.995 212.287 219.380 1.00172.12 H +ATOM 16009 N LEU B 472 178.626 214.555 224.297 1.00 31.06 N +ATOM 16010 CA LEU B 472 178.886 215.685 225.178 1.00 32.66 C +ATOM 16011 C LEU B 472 179.828 215.252 226.288 1.00 30.17 C +ATOM 16012 O LEU B 472 179.810 214.097 226.705 1.00 27.41 O +ATOM 16013 CB LEU B 472 177.586 216.226 225.771 1.00 30.57 C +ATOM 16014 CG LEU B 472 176.459 216.467 224.769 1.00 31.33 C +ATOM 16015 CD1 LEU B 472 175.180 216.812 225.500 1.00 33.14 C +ATOM 16016 CD2 LEU B 472 176.838 217.564 223.792 1.00 34.70 C +ATOM 16017 H LEU B 472 178.123 213.951 224.646 1.00 37.27 H +ATOM 16018 HA LEU B 472 179.312 216.395 224.673 1.00 39.19 H +ATOM 16019 HB2 LEU B 472 177.260 215.590 226.428 1.00 36.69 H +ATOM 16020 HB3 LEU B 472 177.775 217.072 226.206 1.00 36.69 H +ATOM 16021 HG LEU B 472 176.305 215.653 224.263 1.00 37.59 H +ATOM 16022 HD11 LEU B 472 174.476 216.962 224.849 1.00 39.76 H +ATOM 16023 HD12 LEU B 472 174.941 216.075 226.083 1.00 39.76 H +ATOM 16024 HD13 LEU B 472 175.324 217.616 226.023 1.00 39.76 H +ATOM 16025 HD21 LEU B 472 176.108 217.697 223.168 1.00 41.64 H +ATOM 16026 HD22 LEU B 472 177.006 218.382 224.286 1.00 41.64 H +ATOM 16027 HD23 LEU B 472 177.638 217.297 223.313 1.00 41.64 H +ATOM 16028 N LYS B 473 180.650 216.178 226.764 1.00 28.48 N +ATOM 16029 CA LYS B 473 181.534 215.890 227.881 1.00 37.75 C +ATOM 16030 C LYS B 473 180.698 215.720 229.150 1.00 34.80 C +ATOM 16031 O LYS B 473 179.814 216.530 229.418 1.00 36.08 O +ATOM 16032 CB LYS B 473 182.560 217.009 228.063 1.00 39.42 C +ATOM 16033 CG LYS B 473 183.808 216.583 228.821 1.00 56.22 C +ATOM 16034 CD LYS B 473 184.795 217.733 228.986 1.00 85.22 C +ATOM 16035 CE LYS B 473 184.268 218.815 229.922 1.00 72.65 C +ATOM 16036 NZ LYS B 473 183.986 218.297 231.292 1.00 73.14 N +ATOM 16037 H LYS B 473 180.715 216.979 226.458 1.00 34.18 H +ATOM 16038 HA LYS B 473 182.009 215.061 227.713 1.00 45.31 H +ATOM 16039 HB2 LYS B 473 182.837 217.324 227.188 1.00 47.30 H +ATOM 16040 HB3 LYS B 473 182.146 217.735 228.557 1.00 47.30 H +ATOM 16041 HG2 LYS B 473 183.555 216.273 229.704 1.00 67.47 H +ATOM 16042 HG3 LYS B 473 184.251 215.872 228.331 1.00 67.47 H +ATOM 16043 HD2 LYS B 473 185.623 217.391 229.357 1.00102.26 H +ATOM 16044 HD3 LYS B 473 184.960 218.138 228.120 1.00102.26 H +ATOM 16045 HE2 LYS B 473 184.930 219.520 229.997 1.00 87.18 H +ATOM 16046 HE3 LYS B 473 183.441 219.172 229.560 1.00 87.18 H +ATOM 16047 HZ1 LYS B 473 183.681 218.954 231.809 1.00 87.77 H +ATOM 16048 HZ2 LYS B 473 183.375 217.652 231.253 1.00 87.77 H +ATOM 16049 HZ3 LYS B 473 184.731 217.968 231.651 1.00 87.77 H +ATOM 16050 N PRO B 474 180.965 214.664 229.934 1.00 35.32 N +ATOM 16051 CA PRO B 474 180.217 214.533 231.188 1.00 34.60 C +ATOM 16052 C PRO B 474 180.578 215.628 232.182 1.00 36.43 C +ATOM 16053 O PRO B 474 181.725 216.070 232.215 1.00 45.68 O +ATOM 16054 CB PRO B 474 180.635 213.155 231.707 1.00 33.65 C +ATOM 16055 CG PRO B 474 181.943 212.887 231.067 1.00 39.74 C +ATOM 16056 CD PRO B 474 181.894 213.542 229.727 1.00 31.22 C +ATOM 16057 HA PRO B 474 179.261 214.544 231.021 1.00 41.52 H +ATOM 16058 HB2 PRO B 474 180.723 213.182 232.673 1.00 40.38 H +ATOM 16059 HB3 PRO B 474 179.979 212.492 231.440 1.00 40.38 H +ATOM 16060 HG2 PRO B 474 182.652 213.270 231.607 1.00 47.69 H +ATOM 16061 HG3 PRO B 474 182.067 211.929 230.973 1.00 47.69 H +ATOM 16062 HD2 PRO B 474 182.772 213.870 229.478 1.00 37.46 H +ATOM 16063 HD3 PRO B 474 181.541 212.928 229.063 1.00 37.46 H +ATOM 16064 N TYR B 475 179.607 216.063 232.975 1.00 46.00 N +ATOM 16065 CA TYR B 475 179.856 217.075 233.991 1.00 42.14 C +ATOM 16066 C TYR B 475 180.699 216.490 235.117 1.00 42.59 C +ATOM 16067 O TYR B 475 180.473 215.362 235.550 1.00 44.97 O +ATOM 16068 CB TYR B 475 178.537 217.628 234.537 1.00 45.91 C +ATOM 16069 CG TYR B 475 177.868 218.630 233.622 1.00 45.85 C +ATOM 16070 CD1 TYR B 475 178.469 219.847 233.338 1.00 46.57 C +ATOM 16071 CD2 TYR B 475 176.632 218.365 233.050 1.00 49.24 C +ATOM 16072 CE1 TYR B 475 177.865 220.768 232.507 1.00 42.73 C +ATOM 16073 CE2 TYR B 475 176.019 219.284 232.217 1.00 52.55 C +ATOM 16074 CZ TYR B 475 176.641 220.483 231.950 1.00 44.49 C +ATOM 16075 OH TYR B 475 176.041 221.403 231.124 1.00 44.49 O +ATOM 16076 H TYR B 475 178.793 215.786 232.945 1.00 55.20 H +ATOM 16077 HA TYR B 475 180.350 217.810 233.595 1.00 50.57 H +ATOM 16078 HB2 TYR B 475 177.920 216.890 234.669 1.00 55.10 H +ATOM 16079 HB3 TYR B 475 178.709 218.068 235.384 1.00 55.10 H +ATOM 16080 HD1 TYR B 475 179.298 220.045 233.712 1.00 55.89 H +ATOM 16081 HD2 TYR B 475 176.210 217.556 233.229 1.00 59.08 H +ATOM 16082 HE1 TYR B 475 178.283 221.579 232.325 1.00 51.28 H +ATOM 16083 HE2 TYR B 475 175.191 219.093 231.839 1.00 63.06 H +ATOM 16084 HH TYR B 475 175.303 221.107 230.852 1.00 53.39 H +ATOM 16085 N GLU B 476 181.670 217.267 235.585 1.00 53.11 N +ATOM 16086 CA GLU B 476 182.611 216.803 236.604 1.00 51.20 C +ATOM 16087 C GLU B 476 182.163 217.172 238.016 1.00 45.60 C +ATOM 16088 O GLU B 476 182.569 216.534 238.985 1.00 57.14 O +ATOM 16089 CB GLU B 476 184.002 217.378 236.337 1.00 53.96 C +ATOM 16090 CG GLU B 476 184.636 216.882 235.047 1.00 68.04 C +ATOM 16091 CD GLU B 476 185.975 217.530 234.769 1.00 85.30 C +ATOM 16092 OE1 GLU B 476 186.791 217.638 235.709 1.00 92.25 O +ATOM 16093 OE2 GLU B 476 186.210 217.937 233.612 1.00 87.02 O +ATOM 16094 H GLU B 476 181.809 218.075 235.325 1.00 63.73 H +ATOM 16095 HA GLU B 476 182.674 215.837 236.556 1.00 61.44 H +ATOM 16096 HB2 GLU B 476 183.936 218.344 236.282 1.00 64.75 H +ATOM 16097 HB3 GLU B 476 184.588 217.130 237.069 1.00 64.75 H +ATOM 16098 HG2 GLU B 476 184.772 215.924 235.109 1.00 81.65 H +ATOM 16099 HG3 GLU B 476 184.044 217.086 234.305 1.00 81.65 H +ATOM 16100 N SER B 477 181.334 218.205 238.130 1.00 54.16 N +ATOM 16101 CA SER B 477 180.817 218.635 239.425 1.00 52.81 C +ATOM 16102 C SER B 477 179.367 219.083 239.303 1.00 53.20 C +ATOM 16103 O SER B 477 178.875 219.322 238.202 1.00 54.43 O +ATOM 16104 CB SER B 477 181.667 219.772 239.993 1.00 63.08 C +ATOM 16105 OG SER B 477 181.502 220.958 239.235 1.00 47.24 O +ATOM 16106 H SER B 477 181.054 218.676 237.467 1.00 64.99 H +ATOM 16107 HA SER B 477 180.852 217.891 240.045 1.00 63.37 H +ATOM 16108 HB2 SER B 477 181.395 219.942 240.908 1.00 75.70 H +ATOM 16109 HB3 SER B 477 182.601 219.510 239.968 1.00 75.70 H +ATOM 16110 HG SER B 477 181.975 221.573 239.558 1.00 56.69 H +ATOM 16111 N PHE B 478 178.685 219.186 240.440 1.00 51.93 N +ATOM 16112 CA PHE B 478 177.314 219.682 240.471 1.00 56.48 C +ATOM 16113 C PHE B 478 177.280 221.162 240.116 1.00 53.52 C +ATOM 16114 O PHE B 478 176.353 221.638 239.462 1.00 47.56 O +ATOM 16115 CB PHE B 478 176.688 219.471 241.849 1.00 59.86 C +ATOM 16116 CG PHE B 478 176.574 218.032 242.253 1.00 51.59 C +ATOM 16117 CD1 PHE B 478 175.482 217.277 241.866 1.00 46.65 C +ATOM 16118 CD2 PHE B 478 177.551 217.438 243.032 1.00 53.12 C +ATOM 16119 CE1 PHE B 478 175.369 215.956 242.242 1.00 51.20 C +ATOM 16120 CE2 PHE B 478 177.443 216.116 243.411 1.00 53.22 C +ATOM 16121 CZ PHE B 478 176.350 215.375 243.015 1.00 53.65 C +ATOM 16122 H PHE B 478 178.997 218.974 241.212 1.00 62.32 H +ATOM 16123 HA PHE B 478 176.784 219.199 239.817 1.00 67.78 H +ATOM 16124 HB2 PHE B 478 177.234 219.922 242.512 1.00 71.83 H +ATOM 16125 HB3 PHE B 478 175.795 219.849 241.847 1.00 71.83 H +ATOM 16126 HD1 PHE B 478 174.817 217.665 241.345 1.00 55.98 H +ATOM 16127 HD2 PHE B 478 178.290 217.935 243.301 1.00 63.75 H +ATOM 16128 HE1 PHE B 478 174.631 215.457 241.974 1.00 61.44 H +ATOM 16129 HE2 PHE B 478 178.107 215.725 243.932 1.00 63.86 H +ATOM 16130 HZ PHE B 478 176.276 214.483 243.269 1.00 64.38 H +ATOM 16131 N GLU B 479 178.298 221.884 240.565 1.00 58.30 N +ATOM 16132 CA GLU B 479 178.395 223.313 240.317 1.00 59.65 C +ATOM 16133 C GLU B 479 178.601 223.587 238.830 1.00 55.76 C +ATOM 16134 O GLU B 479 178.150 224.605 238.306 1.00 51.41 O +ATOM 16135 CB GLU B 479 179.537 223.909 241.138 1.00 51.98 C +ATOM 16136 CG GLU B 479 179.637 225.418 241.067 1.00 82.47 C +ATOM 16137 CD GLU B 479 180.783 225.960 241.896 1.00 93.06 C +ATOM 16138 OE1 GLU B 479 181.015 225.437 243.006 1.00 73.76 O +ATOM 16139 OE2 GLU B 479 181.455 226.906 241.434 1.00 90.64 O +ATOM 16140 H GLU B 479 178.954 221.564 241.020 1.00 69.96 H +ATOM 16141 HA GLU B 479 177.569 223.741 240.592 1.00 71.58 H +ATOM 16142 HB2 GLU B 479 179.410 223.666 242.069 1.00 62.38 H +ATOM 16143 HB3 GLU B 479 180.375 223.543 240.816 1.00 62.38 H +ATOM 16144 HG2 GLU B 479 179.781 225.683 240.145 1.00 98.97 H +ATOM 16145 HG3 GLU B 479 178.814 225.807 241.401 1.00 98.97 H +ATOM 16146 N GLU B 480 179.286 222.672 238.155 1.00 54.48 N +ATOM 16147 CA GLU B 480 179.483 222.773 236.716 1.00 48.42 C +ATOM 16148 C GLU B 480 178.150 222.602 235.995 1.00 57.01 C +ATOM 16149 O GLU B 480 177.905 223.227 234.963 1.00 54.95 O +ATOM 16150 CB GLU B 480 180.485 221.723 236.236 1.00 46.25 C +ATOM 16151 CG GLU B 480 180.930 221.898 234.792 1.00 53.90 C +ATOM 16152 CD GLU B 480 181.763 220.734 234.291 1.00 62.26 C +ATOM 16153 OE1 GLU B 480 182.168 219.891 235.119 1.00 59.28 O +ATOM 16154 OE2 GLU B 480 182.010 220.660 233.069 1.00 60.14 O +ATOM 16155 H GLU B 480 179.649 221.978 238.510 1.00 65.38 H +ATOM 16156 HA GLU B 480 179.835 223.651 236.502 1.00 58.11 H +ATOM 16157 HB2 GLU B 480 181.275 221.768 236.796 1.00 55.50 H +ATOM 16158 HB3 GLU B 480 180.078 220.846 236.314 1.00 55.50 H +ATOM 16159 HG2 GLU B 480 180.145 221.971 234.226 1.00 64.68 H +ATOM 16160 HG3 GLU B 480 181.466 222.704 234.722 1.00 64.68 H +ATOM 16161 N LEU B 481 177.290 221.757 236.552 1.00 55.98 N +ATOM 16162 CA LEU B 481 175.988 221.480 235.958 1.00 53.22 C +ATOM 16163 C LEU B 481 175.050 222.687 236.027 1.00 51.90 C +ATOM 16164 O LEU B 481 174.443 223.060 235.025 1.00 41.64 O +ATOM 16165 CB LEU B 481 175.338 220.278 236.648 1.00 48.79 C +ATOM 16166 CG LEU B 481 173.895 219.961 236.248 1.00 48.99 C +ATOM 16167 CD1 LEU B 481 173.776 219.795 234.747 1.00 54.32 C +ATOM 16168 CD2 LEU B 481 173.403 218.711 236.961 1.00 48.63 C +ATOM 16169 H LEU B 481 177.439 221.326 237.282 1.00 67.17 H +ATOM 16170 HA LEU B 481 176.113 221.254 235.023 1.00 63.86 H +ATOM 16171 HB2 LEU B 481 175.870 219.491 236.452 1.00 58.55 H +ATOM 16172 HB3 LEU B 481 175.343 220.438 237.605 1.00 58.55 H +ATOM 16173 HG LEU B 481 173.325 220.700 236.513 1.00 58.79 H +ATOM 16174 HD11 LEU B 481 172.853 219.596 234.524 1.00 65.19 H +ATOM 16175 HD12 LEU B 481 174.051 220.619 234.315 1.00 65.19 H +ATOM 16176 HD13 LEU B 481 174.350 219.065 234.464 1.00 65.19 H +ATOM 16177 HD21 LEU B 481 172.489 218.533 236.690 1.00 58.35 H +ATOM 16178 HD22 LEU B 481 173.972 217.965 236.716 1.00 58.35 H +ATOM 16179 HD23 LEU B 481 173.443 218.858 237.919 1.00 58.35 H +ATOM 16180 N THR B 482 174.937 223.294 237.205 1.00 58.45 N +ATOM 16181 CA THR B 482 173.982 224.379 237.418 1.00 60.91 C +ATOM 16182 C THR B 482 174.588 225.757 237.160 1.00 57.92 C +ATOM 16183 O THR B 482 173.866 226.716 236.889 1.00 54.28 O +ATOM 16184 CB THR B 482 173.425 224.361 238.851 1.00 62.63 C +ATOM 16185 OG1 THR B 482 174.484 224.614 239.781 1.00 58.92 O +ATOM 16186 CG2 THR B 482 172.780 223.017 239.163 1.00 55.06 C +ATOM 16187 H THR B 482 175.403 223.096 237.900 1.00 70.14 H +ATOM 16188 HA THR B 482 173.237 224.264 236.808 1.00 73.09 H +ATOM 16189 HB THR B 482 172.749 225.050 238.940 1.00 75.16 H +ATOM 16190 HG1 THR B 482 174.827 225.366 239.629 1.00 70.71 H +ATOM 16191 HG21 THR B 482 172.433 223.018 240.069 1.00 66.07 H +ATOM 16192 HG22 THR B 482 172.051 222.848 238.546 1.00 66.07 H +ATOM 16193 HG23 THR B 482 173.436 222.307 239.078 1.00 66.07 H +ATOM 16194 N GLY B 483 175.911 225.853 237.246 1.00 56.38 N +ATOM 16195 CA GLY B 483 176.585 227.132 237.105 1.00 53.00 C +ATOM 16196 C GLY B 483 176.191 228.053 238.240 1.00 55.00 C +ATOM 16197 O GLY B 483 175.984 229.249 238.043 1.00 61.19 O +ATOM 16198 H GLY B 483 176.439 225.190 237.387 1.00 67.66 H +ATOM 16199 HA2 GLY B 483 177.547 227.002 237.122 1.00 63.60 H +ATOM 16200 HA3 GLY B 483 176.338 227.545 236.262 1.00 63.60 H +ATOM 16201 N GLU B 484 176.094 227.482 239.435 1.00 55.65 N +ATOM 16202 CA GLU B 484 175.575 228.195 240.594 1.00 55.85 C +ATOM 16203 C GLU B 484 175.758 227.326 241.842 1.00 60.10 C +ATOM 16204 O GLU B 484 175.930 226.113 241.734 1.00 65.76 O +ATOM 16205 CB GLU B 484 174.108 228.575 240.342 1.00 54.85 C +ATOM 16206 CG GLU B 484 173.177 228.571 241.541 1.00 54.73 C +ATOM 16207 CD GLU B 484 172.583 227.210 241.810 1.00 53.84 C +ATOM 16208 OE1 GLU B 484 171.543 227.162 242.487 1.00 58.65 O +ATOM 16209 OE2 GLU B 484 173.139 226.191 241.344 1.00 55.44 O +ATOM 16210 H GLU B 484 176.325 226.671 239.602 1.00 66.78 H +ATOM 16211 HA GLU B 484 176.082 229.012 240.718 1.00 67.01 H +ATOM 16212 HB2 GLU B 484 174.089 229.470 239.969 1.00 65.82 H +ATOM 16213 HB3 GLU B 484 173.742 227.952 239.695 1.00 65.82 H +ATOM 16214 HG2 GLU B 484 173.674 228.843 242.329 1.00 65.68 H +ATOM 16215 HG3 GLU B 484 172.448 229.190 241.378 1.00 65.68 H +ATOM 16216 N LYS B 485 175.733 227.950 243.017 1.00 60.06 N +ATOM 16217 CA LYS B 485 176.129 227.287 244.258 1.00 62.05 C +ATOM 16218 C LYS B 485 174.969 226.718 245.081 1.00 55.78 C +ATOM 16219 O LYS B 485 175.164 225.795 245.874 1.00 56.03 O +ATOM 16220 CB LYS B 485 176.920 228.271 245.126 1.00 59.27 C +ATOM 16221 CG LYS B 485 177.957 229.089 244.362 1.00 70.20 C +ATOM 16222 CD LYS B 485 179.071 228.218 243.794 1.00 73.12 C +ATOM 16223 CE LYS B 485 180.315 228.267 244.664 1.00 83.11 C +ATOM 16224 NZ LYS B 485 180.961 229.608 244.642 1.00 91.12 N +ATOM 16225 H LYS B 485 175.488 228.767 243.124 1.00 72.07 H +ATOM 16226 HA LYS B 485 176.720 226.550 244.038 1.00 74.47 H +ATOM 16227 HB2 LYS B 485 176.298 228.892 245.537 1.00 71.12 H +ATOM 16228 HB3 LYS B 485 177.387 227.772 245.815 1.00 71.12 H +ATOM 16229 HG2 LYS B 485 177.522 229.543 243.623 1.00 84.24 H +ATOM 16230 HG3 LYS B 485 178.357 229.737 244.963 1.00 84.24 H +ATOM 16231 HD2 LYS B 485 178.767 227.298 243.749 1.00 87.74 H +ATOM 16232 HD3 LYS B 485 179.307 228.537 242.908 1.00 87.74 H +ATOM 16233 HE2 LYS B 485 180.070 228.064 245.581 1.00 99.73 H +ATOM 16234 HE3 LYS B 485 180.957 227.617 244.339 1.00 99.73 H +ATOM 16235 HZ1 LYS B 485 181.685 229.605 245.160 1.00109.34 H +ATOM 16236 HZ2 LYS B 485 181.201 229.816 243.811 1.00109.34 H +ATOM 16237 HZ3 LYS B 485 180.393 230.224 244.942 1.00109.34 H +ATOM 16238 N GLU B 486 173.771 227.261 244.901 1.00 55.37 N +ATOM 16239 CA GLU B 486 172.642 226.928 245.769 1.00 60.20 C +ATOM 16240 C GLU B 486 172.015 225.570 245.436 1.00 62.56 C +ATOM 16241 O GLU B 486 171.999 224.666 246.272 1.00 57.73 O +ATOM 16242 CB GLU B 486 171.582 228.031 245.686 1.00 65.36 C +ATOM 16243 CG GLU B 486 170.425 227.874 246.662 1.00 71.25 C +ATOM 16244 CD GLU B 486 169.510 229.084 246.676 1.00 79.64 C +ATOM 16245 OE1 GLU B 486 168.503 229.060 247.413 1.00 82.43 O +ATOM 16246 OE2 GLU B 486 169.796 230.061 245.951 1.00 80.28 O +ATOM 16247 H GLU B 486 173.583 227.827 244.281 1.00 66.45 H +ATOM 16248 HA GLU B 486 172.956 226.890 246.686 1.00 72.24 H +ATOM 16249 HB2 GLU B 486 172.007 228.883 245.870 1.00 78.44 H +ATOM 16250 HB3 GLU B 486 171.211 228.038 244.790 1.00 78.44 H +ATOM 16251 HG2 GLU B 486 169.898 227.101 246.406 1.00 85.50 H +ATOM 16252 HG3 GLU B 486 170.779 227.755 247.557 1.00 85.50 H +ATOM 16253 N MET B 487 171.496 225.437 244.220 1.00 65.84 N +ATOM 16254 CA MET B 487 170.878 224.192 243.771 1.00 60.46 C +ATOM 16255 C MET B 487 171.890 223.055 243.701 1.00 52.99 C +ATOM 16256 O MET B 487 171.575 221.912 244.037 1.00 47.36 O +ATOM 16257 CB MET B 487 170.222 224.382 242.400 1.00 56.99 C +ATOM 16258 CG MET B 487 169.009 225.301 242.410 1.00 45.66 C +ATOM 16259 SD MET B 487 168.134 225.322 240.838 1.00 50.09 S +ATOM 16260 CE MET B 487 169.366 226.045 239.758 1.00 52.08 C +ATOM 16261 H MET B 487 171.489 226.061 243.628 1.00 79.00 H +ATOM 16262 HA MET B 487 170.180 223.948 244.400 1.00 72.55 H +ATOM 16263 HB2 MET B 487 170.875 224.763 241.793 1.00 68.39 H +ATOM 16264 HB3 MET B 487 169.933 223.517 242.071 1.00 68.39 H +ATOM 16265 HG2 MET B 487 168.390 224.999 243.093 1.00 54.79 H +ATOM 16266 HG3 MET B 487 169.300 226.206 242.603 1.00 54.79 H +ATOM 16267 HE1 MET B 487 169.594 226.929 240.087 1.00 62.50 H +ATOM 16268 HE2 MET B 487 170.154 225.480 239.756 1.00 62.50 H +ATOM 16269 HE3 MET B 487 169.001 226.109 238.862 1.00 62.50 H +ATOM 16270 N SER B 488 173.103 223.371 243.257 1.00 51.52 N +ATOM 16271 CA SER B 488 174.167 222.379 243.163 1.00 52.70 C +ATOM 16272 C SER B 488 174.435 221.732 244.517 1.00 62.06 C +ATOM 16273 O SER B 488 174.827 220.569 244.593 1.00 57.16 O +ATOM 16274 CB SER B 488 175.450 223.016 242.632 1.00 52.97 C +ATOM 16275 OG SER B 488 175.945 223.988 243.535 1.00 57.74 O +ATOM 16276 H SER B 488 173.336 224.159 243.001 1.00 61.83 H +ATOM 16277 HA SER B 488 173.898 221.682 242.545 1.00 63.24 H +ATOM 16278 HB2 SER B 488 176.120 222.325 242.514 1.00 63.56 H +ATOM 16279 HB3 SER B 488 175.261 223.444 241.782 1.00 63.56 H +ATOM 16280 HG SER B 488 176.649 224.330 243.232 1.00 69.29 H +ATOM 16281 N ALA B 489 174.220 222.495 245.583 1.00 64.54 N +ATOM 16282 CA ALA B 489 174.426 221.995 246.934 1.00 46.39 C +ATOM 16283 C ALA B 489 173.303 221.045 247.327 1.00 52.28 C +ATOM 16284 O ALA B 489 173.541 220.021 247.964 1.00 59.27 O +ATOM 16285 CB ALA B 489 174.517 223.145 247.915 1.00 52.29 C +ATOM 16286 H ALA B 489 173.953 223.312 245.548 1.00 77.45 H +ATOM 16287 HA ALA B 489 175.261 221.504 246.967 1.00 55.67 H +ATOM 16288 HB1 ALA B 489 174.653 222.789 248.807 1.00 62.75 H +ATOM 16289 HB2 ALA B 489 175.263 223.713 247.668 1.00 62.75 H +ATOM 16290 HB3 ALA B 489 173.690 223.652 247.885 1.00 62.75 H +ATOM 16291 N GLU B 490 172.076 221.391 246.951 1.00 44.78 N +ATOM 16292 CA GLU B 490 170.945 220.501 247.167 1.00 63.18 C +ATOM 16293 C GLU B 490 171.150 219.219 246.370 1.00 60.89 C +ATOM 16294 O GLU B 490 170.856 218.125 246.849 1.00 56.21 O +ATOM 16295 CB GLU B 490 169.631 221.172 246.760 1.00 58.51 C +ATOM 16296 CG GLU B 490 169.270 222.408 247.568 1.00 67.01 C +ATOM 16297 CD GLU B 490 168.930 222.096 249.011 1.00 74.16 C +ATOM 16298 OE1 GLU B 490 168.865 220.902 249.369 1.00 81.25 O +ATOM 16299 OE2 GLU B 490 168.724 223.050 249.791 1.00 77.67 O +ATOM 16300 H GLU B 490 171.873 222.134 246.569 1.00 53.74 H +ATOM 16301 HA GLU B 490 170.892 220.271 248.108 1.00 75.82 H +ATOM 16302 HB2 GLU B 490 169.695 221.438 245.829 1.00 70.21 H +ATOM 16303 HB3 GLU B 490 168.910 220.531 246.867 1.00 70.21 H +ATOM 16304 HG2 GLU B 490 170.024 223.018 247.564 1.00 80.42 H +ATOM 16305 HG3 GLU B 490 168.498 222.834 247.164 1.00 80.42 H +ATOM 16306 N LEU B 491 171.660 219.366 245.151 1.00 52.88 N +ATOM 16307 CA LEU B 491 171.952 218.220 244.301 1.00 55.41 C +ATOM 16308 C LEU B 491 172.963 217.291 244.959 1.00 57.36 C +ATOM 16309 O LEU B 491 172.784 216.074 244.967 1.00 51.87 O +ATOM 16310 CB LEU B 491 172.484 218.677 242.942 1.00 57.14 C +ATOM 16311 CG LEU B 491 171.481 219.063 241.854 1.00 60.96 C +ATOM 16312 CD1 LEU B 491 172.228 219.566 240.629 1.00 57.76 C +ATOM 16313 CD2 LEU B 491 170.596 217.883 241.484 1.00 44.37 C +ATOM 16314 H LEU B 491 171.846 220.125 244.792 1.00 63.45 H +ATOM 16315 HA LEU B 491 171.135 217.720 244.151 1.00 66.49 H +ATOM 16316 HB2 LEU B 491 173.048 219.452 243.090 1.00 68.57 H +ATOM 16317 HB3 LEU B 491 173.027 217.959 242.580 1.00 68.57 H +ATOM 16318 HG LEU B 491 170.914 219.779 242.180 1.00 73.15 H +ATOM 16319 HD11 LEU B 491 171.585 219.808 239.945 1.00 69.31 H +ATOM 16320 HD12 LEU B 491 172.755 220.342 240.878 1.00 69.31 H +ATOM 16321 HD13 LEU B 491 172.809 218.862 240.303 1.00 69.31 H +ATOM 16322 HD21 LEU B 491 169.973 218.161 240.794 1.00 53.24 H +ATOM 16323 HD22 LEU B 491 171.153 217.161 241.156 1.00 53.24 H +ATOM 16324 HD23 LEU B 491 170.110 217.595 242.273 1.00 53.24 H +ATOM 16325 N GLU B 492 174.028 217.868 245.505 1.00 57.99 N +ATOM 16326 CA GLU B 492 175.074 217.076 246.141 1.00 53.29 C +ATOM 16327 C GLU B 492 174.548 216.387 247.393 1.00 52.92 C +ATOM 16328 O GLU B 492 174.916 215.251 247.685 1.00 56.98 O +ATOM 16329 CB GLU B 492 176.279 217.949 246.493 1.00 52.14 C +ATOM 16330 CG GLU B 492 177.426 217.170 247.119 1.00 58.11 C +ATOM 16331 CD GLU B 492 178.767 217.850 246.938 1.00 62.72 C +ATOM 16332 OE1 GLU B 492 178.931 218.987 247.424 1.00 69.08 O +ATOM 16333 OE2 GLU B 492 179.656 217.246 246.304 1.00 65.65 O +ATOM 16334 H GLU B 492 174.168 218.717 245.521 1.00 69.59 H +ATOM 16335 HA GLU B 492 175.370 216.390 245.523 1.00 63.95 H +ATOM 16336 HB2 GLU B 492 176.610 218.368 245.684 1.00 62.56 H +ATOM 16337 HB3 GLU B 492 176.000 218.629 247.126 1.00 62.56 H +ATOM 16338 HG2 GLU B 492 177.263 217.078 248.071 1.00 69.73 H +ATOM 16339 HG3 GLU B 492 177.476 216.294 246.705 1.00 69.73 H +ATOM 16340 N ALA B 493 173.683 217.078 248.128 1.00 53.97 N +ATOM 16341 CA ALA B 493 173.115 216.528 249.353 1.00 60.53 C +ATOM 16342 C ALA B 493 172.153 215.390 249.035 1.00 55.53 C +ATOM 16343 O ALA B 493 171.966 214.480 249.842 1.00 50.77 O +ATOM 16344 CB ALA B 493 172.407 217.614 250.145 1.00 61.15 C +ATOM 16345 H ALA B 493 173.409 217.871 247.939 1.00 64.76 H +ATOM 16346 HA ALA B 493 173.831 216.172 249.902 1.00 72.63 H +ATOM 16347 HB1 ALA B 493 172.037 217.225 250.953 1.00 73.38 H +ATOM 16348 HB2 ALA B 493 173.047 218.306 250.373 1.00 73.38 H +ATOM 16349 HB3 ALA B 493 171.695 217.987 249.602 1.00 73.38 H +ATOM 16350 N LEU B 494 171.546 215.449 247.855 1.00 56.48 N +ATOM 16351 CA LEU B 494 170.596 214.429 247.432 1.00 47.11 C +ATOM 16352 C LEU B 494 171.293 213.250 246.755 1.00 47.20 C +ATOM 16353 O LEU B 494 170.960 212.097 247.016 1.00 49.12 O +ATOM 16354 CB LEU B 494 169.555 215.037 246.489 1.00 43.36 C +ATOM 16355 CG LEU B 494 168.563 216.006 247.140 1.00 50.86 C +ATOM 16356 CD1 LEU B 494 167.786 216.776 246.082 1.00 51.01 C +ATOM 16357 CD2 LEU B 494 167.609 215.264 248.062 1.00 55.32 C +ATOM 16358 H LEU B 494 171.669 216.074 247.277 1.00 67.77 H +ATOM 16359 HA LEU B 494 170.130 214.091 248.213 1.00 56.54 H +ATOM 16360 HB2 LEU B 494 170.021 215.524 245.791 1.00 52.03 H +ATOM 16361 HB3 LEU B 494 169.041 214.316 246.093 1.00 52.03 H +ATOM 16362 HG LEU B 494 169.055 216.648 247.675 1.00 61.04 H +ATOM 16363 HD11 LEU B 494 167.168 217.379 246.522 1.00 61.21 H +ATOM 16364 HD12 LEU B 494 168.411 217.281 245.538 1.00 61.21 H +ATOM 16365 HD13 LEU B 494 167.298 216.146 245.529 1.00 61.21 H +ATOM 16366 HD21 LEU B 494 166.995 215.901 248.459 1.00 66.39 H +ATOM 16367 HD22 LEU B 494 167.118 214.607 247.545 1.00 66.39 H +ATOM 16368 HD23 LEU B 494 168.122 214.823 248.757 1.00 66.39 H +ATOM 16369 N TYR B 495 172.275 213.539 245.905 1.00 49.70 N +ATOM 16370 CA TYR B 495 172.895 212.510 245.072 1.00 48.47 C +ATOM 16371 C TYR B 495 174.294 212.092 245.524 1.00 53.73 C +ATOM 16372 O TYR B 495 174.661 210.923 245.404 1.00 49.16 O +ATOM 16373 CB TYR B 495 172.955 212.992 243.627 1.00 47.60 C +ATOM 16374 CG TYR B 495 171.632 212.899 242.908 1.00 45.25 C +ATOM 16375 CD1 TYR B 495 171.093 211.666 242.572 1.00 42.46 C +ATOM 16376 CD2 TYR B 495 170.923 214.040 242.556 1.00 44.02 C +ATOM 16377 CE1 TYR B 495 169.886 211.571 241.910 1.00 37.05 C +ATOM 16378 CE2 TYR B 495 169.715 213.952 241.892 1.00 43.03 C +ATOM 16379 CZ TYR B 495 169.203 212.715 241.573 1.00 39.09 C +ATOM 16380 OH TYR B 495 168.003 212.619 240.913 1.00 50.06 O +ATOM 16381 H TYR B 495 172.602 214.326 245.792 1.00 59.64 H +ATOM 16382 HA TYR B 495 172.334 211.719 245.093 1.00 58.16 H +ATOM 16383 HB2 TYR B 495 173.235 213.920 243.617 1.00 57.12 H +ATOM 16384 HB3 TYR B 495 173.596 212.449 243.142 1.00 57.12 H +ATOM 16385 HD1 TYR B 495 171.552 210.889 242.797 1.00 50.95 H +ATOM 16386 HD2 TYR B 495 171.268 214.876 242.770 1.00 52.82 H +ATOM 16387 HE1 TYR B 495 169.536 210.737 241.692 1.00 44.46 H +ATOM 16388 HE2 TYR B 495 169.250 214.724 241.663 1.00 51.63 H +ATOM 16389 HH TYR B 495 167.811 211.812 240.783 1.00 60.07 H +ATOM 16390 N GLY B 496 175.076 213.042 246.026 1.00 57.27 N +ATOM 16391 CA GLY B 496 176.426 212.751 246.478 1.00 48.80 C +ATOM 16392 C GLY B 496 177.439 212.725 245.346 1.00 56.96 C +ATOM 16393 O GLY B 496 178.470 213.393 245.417 1.00 61.56 O +ATOM 16394 H GLY B 496 174.846 213.866 246.115 1.00 68.72 H +ATOM 16395 HA2 GLY B 496 176.703 213.425 247.119 1.00 58.56 H +ATOM 16396 HA3 GLY B 496 176.438 211.887 246.919 1.00 58.56 H +ATOM 16397 N ASP B 497 177.145 211.949 244.306 1.00 53.45 N +ATOM 16398 CA ASP B 497 178.026 211.817 243.147 1.00 46.49 C +ATOM 16399 C ASP B 497 177.361 212.413 241.911 1.00 51.17 C +ATOM 16400 O ASP B 497 176.190 212.151 241.639 1.00 46.31 O +ATOM 16401 CB ASP B 497 178.374 210.345 242.909 1.00 50.66 C +ATOM 16402 CG ASP B 497 179.458 210.157 241.862 1.00 53.62 C +ATOM 16403 OD1 ASP B 497 179.809 211.132 241.165 1.00 56.63 O +ATOM 16404 OD2 ASP B 497 179.958 209.020 241.731 1.00 61.34 O +ATOM 16405 H ASP B 497 176.426 211.480 244.247 1.00 64.13 H +ATOM 16406 HA ASP B 497 178.849 212.302 243.314 1.00 55.79 H +ATOM 16407 HB2 ASP B 497 178.689 209.957 243.740 1.00 60.79 H +ATOM 16408 HB3 ASP B 497 177.580 209.878 242.605 1.00 60.79 H +ATOM 16409 N ILE B 498 178.117 213.215 241.168 1.00 57.43 N +ATOM 16410 CA ILE B 498 177.597 213.878 239.976 1.00 51.44 C +ATOM 16411 C ILE B 498 177.131 212.858 238.938 1.00 50.81 C +ATOM 16412 O ILE B 498 176.232 213.135 238.147 1.00 47.10 O +ATOM 16413 CB ILE B 498 178.661 214.816 239.338 1.00 46.60 C +ATOM 16414 CG1 ILE B 498 178.112 215.516 238.089 1.00 45.32 C +ATOM 16415 CG2 ILE B 498 179.924 214.041 238.983 1.00 55.73 C +ATOM 16416 CD1 ILE B 498 176.868 216.349 238.334 1.00 53.17 C +ATOM 16417 H ILE B 498 178.942 213.394 241.334 1.00 68.92 H +ATOM 16418 HA ILE B 498 176.832 214.420 240.226 1.00 61.73 H +ATOM 16419 HB ILE B 498 178.895 215.496 239.989 1.00 55.92 H +ATOM 16420 HG12 ILE B 498 178.797 216.106 237.737 1.00 54.39 H +ATOM 16421 HG13 ILE B 498 177.890 214.842 237.428 1.00 54.39 H +ATOM 16422 HG21 ILE B 498 180.567 214.650 238.588 1.00 66.87 H +ATOM 16423 HG22 ILE B 498 180.291 213.648 239.790 1.00 66.87 H +ATOM 16424 HG23 ILE B 498 179.697 213.343 238.348 1.00 66.87 H +ATOM 16425 HD11 ILE B 498 176.590 216.753 237.498 1.00 63.81 H +ATOM 16426 HD12 ILE B 498 176.166 215.773 238.674 1.00 63.81 H +ATOM 16427 HD13 ILE B 498 177.074 217.039 238.984 1.00 63.81 H +ATOM 16428 N ASP B 499 177.740 211.677 238.953 1.00 50.42 N +ATOM 16429 CA ASP B 499 177.394 210.626 238.002 1.00 53.71 C +ATOM 16430 C ASP B 499 176.156 209.844 238.439 1.00 46.32 C +ATOM 16431 O ASP B 499 175.757 208.889 237.774 1.00 46.80 O +ATOM 16432 CB ASP B 499 178.575 209.672 237.813 1.00 50.48 C +ATOM 16433 CG ASP B 499 179.690 210.281 236.988 1.00 55.81 C +ATOM 16434 OD1 ASP B 499 179.494 210.467 235.766 1.00 48.79 O +ATOM 16435 OD2 ASP B 499 180.766 210.568 237.555 1.00 63.36 O +ATOM 16436 H ASP B 499 178.360 211.458 239.507 1.00 60.50 H +ATOM 16437 HA ASP B 499 177.200 211.033 237.143 1.00 64.45 H +ATOM 16438 HB2 ASP B 499 178.936 209.440 238.683 1.00 60.57 H +ATOM 16439 HB3 ASP B 499 178.266 208.873 237.358 1.00 60.57 H +ATOM 16440 N ALA B 500 175.552 210.251 239.552 1.00 45.65 N +ATOM 16441 CA ALA B 500 174.341 209.606 240.056 1.00 46.28 C +ATOM 16442 C ALA B 500 173.103 210.458 239.791 1.00 43.84 C +ATOM 16443 O ALA B 500 171.980 210.029 240.050 1.00 41.77 O +ATOM 16444 CB ALA B 500 174.474 209.324 241.538 1.00 51.23 C +ATOM 16445 H ALA B 500 175.826 210.905 240.038 1.00 54.78 H +ATOM 16446 HA ALA B 500 174.223 208.758 239.600 1.00 55.53 H +ATOM 16447 HB1 ALA B 500 173.661 208.896 241.851 1.00 61.48 H +ATOM 16448 HB2 ALA B 500 175.233 208.737 241.680 1.00 61.48 H +ATOM 16449 HB3 ALA B 500 174.610 210.162 242.007 1.00 61.48 H +ATOM 16450 N VAL B 501 173.312 211.665 239.276 1.00 37.91 N +ATOM 16451 CA VAL B 501 172.206 212.562 238.960 1.00 40.16 C +ATOM 16452 C VAL B 501 171.386 212.008 237.796 1.00 41.49 C +ATOM 16453 O VAL B 501 171.938 211.560 236.792 1.00 33.71 O +ATOM 16454 CB VAL B 501 172.711 213.974 238.608 1.00 40.42 C +ATOM 16455 CG1 VAL B 501 171.544 214.901 238.319 1.00 41.86 C +ATOM 16456 CG2 VAL B 501 173.555 214.532 239.742 1.00 51.92 C +ATOM 16457 H VAL B 501 174.088 211.990 239.099 1.00 45.49 H +ATOM 16458 HA VAL B 501 171.624 212.633 239.733 1.00 48.19 H +ATOM 16459 HB VAL B 501 173.264 213.927 237.813 1.00 48.50 H +ATOM 16460 HG11 VAL B 501 171.887 215.782 238.101 1.00 50.23 H +ATOM 16461 HG12 VAL B 501 171.038 214.547 237.570 1.00 50.23 H +ATOM 16462 HG13 VAL B 501 170.979 214.951 239.106 1.00 50.23 H +ATOM 16463 HG21 VAL B 501 173.862 215.420 239.500 1.00 62.30 H +ATOM 16464 HG22 VAL B 501 173.014 214.576 240.546 1.00 62.30 H +ATOM 16465 HG23 VAL B 501 174.316 213.947 239.886 1.00 62.30 H +ATOM 16466 N GLU B 502 170.065 212.055 237.939 1.00 39.00 N +ATOM 16467 CA GLU B 502 169.158 211.474 236.955 1.00 35.38 C +ATOM 16468 C GLU B 502 168.886 212.421 235.793 1.00 43.73 C +ATOM 16469 O GLU B 502 169.080 213.632 235.902 1.00 44.95 O +ATOM 16470 CB GLU B 502 167.839 211.082 237.618 1.00 41.95 C +ATOM 16471 CG GLU B 502 167.975 209.996 238.669 1.00 41.08 C +ATOM 16472 CD GLU B 502 166.718 209.833 239.493 1.00 47.90 C +ATOM 16473 OE1 GLU B 502 165.836 209.049 239.090 1.00 48.94 O +ATOM 16474 OE2 GLU B 502 166.614 210.494 240.547 1.00 55.78 O +ATOM 16475 H GLU B 502 169.665 212.423 238.606 1.00 46.80 H +ATOM 16476 HA GLU B 502 169.561 210.669 236.595 1.00 42.46 H +ATOM 16477 HB2 GLU B 502 167.462 211.865 238.049 1.00 50.34 H +ATOM 16478 HB3 GLU B 502 167.231 210.758 236.935 1.00 50.34 H +ATOM 16479 HG2 GLU B 502 168.158 209.151 238.230 1.00 49.30 H +ATOM 16480 HG3 GLU B 502 168.701 210.224 239.269 1.00 49.30 H +ATOM 16481 N LEU B 503 168.415 211.847 234.693 1.00 43.18 N +ATOM 16482 CA LEU B 503 168.241 212.566 233.436 1.00 38.85 C +ATOM 16483 C LEU B 503 167.278 213.750 233.524 1.00 39.62 C +ATOM 16484 O LEU B 503 167.650 214.881 233.210 1.00 33.52 O +ATOM 16485 CB LEU B 503 167.755 211.591 232.360 1.00 36.13 C +ATOM 16486 CG LEU B 503 167.428 212.163 230.980 1.00 33.17 C +ATOM 16487 CD1 LEU B 503 168.591 212.970 230.433 1.00 35.32 C +ATOM 16488 CD2 LEU B 503 167.067 211.036 230.029 1.00 29.22 C +ATOM 16489 H LEU B 503 168.182 211.020 234.648 1.00 51.81 H +ATOM 16490 HA LEU B 503 169.103 212.910 233.154 1.00 46.62 H +ATOM 16491 HB2 LEU B 503 168.442 210.919 232.233 1.00 43.35 H +ATOM 16492 HB3 LEU B 503 166.948 211.162 232.688 1.00 43.35 H +ATOM 16493 HG LEU B 503 166.660 212.752 231.054 1.00 39.80 H +ATOM 16494 HD11 LEU B 503 168.351 213.317 229.560 1.00 42.38 H +ATOM 16495 HD12 LEU B 503 168.779 213.703 231.040 1.00 42.38 H +ATOM 16496 HD13 LEU B 503 169.367 212.393 230.359 1.00 42.38 H +ATOM 16497 HD21 LEU B 503 166.862 211.411 229.158 1.00 35.07 H +ATOM 16498 HD22 LEU B 503 167.821 210.429 229.959 1.00 35.07 H +ATOM 16499 HD23 LEU B 503 166.294 210.565 230.377 1.00 35.07 H +ATOM 16500 N TYR B 504 166.042 213.493 233.942 1.00 39.38 N +ATOM 16501 CA TYR B 504 164.998 214.515 233.882 1.00 38.27 C +ATOM 16502 C TYR B 504 165.244 215.686 234.835 1.00 40.05 C +ATOM 16503 O TYR B 504 165.101 216.841 234.438 1.00 36.70 O +ATOM 16504 CB TYR B 504 163.626 213.899 234.164 1.00 44.02 C +ATOM 16505 CG TYR B 504 162.523 214.923 234.283 1.00 46.24 C +ATOM 16506 CD1 TYR B 504 161.931 215.196 235.507 1.00 49.62 C +ATOM 16507 CD2 TYR B 504 162.082 215.625 233.172 1.00 46.44 C +ATOM 16508 CE1 TYR B 504 160.924 216.134 235.621 1.00 52.18 C +ATOM 16509 CE2 TYR B 504 161.076 216.566 233.274 1.00 50.48 C +ATOM 16510 CZ TYR B 504 160.501 216.816 234.500 1.00 60.56 C +ATOM 16511 OH TYR B 504 159.498 217.752 234.608 1.00 62.25 O +ATOM 16512 H TYR B 504 165.782 212.739 234.264 1.00 47.25 H +ATOM 16513 HA TYR B 504 164.975 214.875 232.981 1.00 45.93 H +ATOM 16514 HB2 TYR B 504 163.397 213.297 233.439 1.00 52.83 H +ATOM 16515 HB3 TYR B 504 163.669 213.409 234.999 1.00 52.83 H +ATOM 16516 HD1 TYR B 504 162.215 214.736 236.264 1.00 59.55 H +ATOM 16517 HD2 TYR B 504 162.468 215.458 232.343 1.00 55.73 H +ATOM 16518 HE1 TYR B 504 160.535 216.304 236.448 1.00 62.61 H +ATOM 16519 HE2 TYR B 504 160.789 217.027 232.520 1.00 60.57 H +ATOM 16520 HH TYR B 504 159.338 218.090 233.856 1.00 74.70 H +ATOM 16521 N PRO B 505 165.608 215.405 236.098 1.00 44.72 N +ATOM 16522 CA PRO B 505 165.885 216.533 236.995 1.00 43.47 C +ATOM 16523 C PRO B 505 167.064 217.380 236.533 1.00 35.15 C +ATOM 16524 O PRO B 505 167.038 218.603 236.652 1.00 38.51 O +ATOM 16525 CB PRO B 505 166.202 215.849 238.330 1.00 41.34 C +ATOM 16526 CG PRO B 505 165.558 214.518 238.239 1.00 50.84 C +ATOM 16527 CD PRO B 505 165.675 214.117 236.808 1.00 51.19 C +ATOM 16528 HA PRO B 505 165.099 217.092 237.094 1.00 52.17 H +ATOM 16529 HB2 PRO B 505 167.162 215.760 238.433 1.00 49.60 H +ATOM 16530 HB3 PRO B 505 165.824 216.364 239.059 1.00 49.60 H +ATOM 16531 HG2 PRO B 505 166.027 213.890 238.810 1.00 61.01 H +ATOM 16532 HG3 PRO B 505 164.626 214.589 238.499 1.00 61.01 H +ATOM 16533 HD2 PRO B 505 166.528 213.683 236.646 1.00 61.43 H +ATOM 16534 HD3 PRO B 505 164.931 213.549 236.553 1.00 61.43 H +ATOM 16535 N ALA B 506 168.090 216.725 236.004 1.00 34.33 N +ATOM 16536 CA ALA B 506 169.290 217.416 235.563 1.00 33.75 C +ATOM 16537 C ALA B 506 168.982 218.360 234.406 1.00 30.47 C +ATOM 16538 O ALA B 506 169.521 219.462 234.340 1.00 33.69 O +ATOM 16539 CB ALA B 506 170.346 216.417 235.158 1.00 33.23 C +ATOM 16540 H ALA B 506 168.114 215.872 235.890 1.00 41.20 H +ATOM 16541 HA ALA B 506 169.641 217.944 236.297 1.00 40.50 H +ATOM 16542 HB1 ALA B 506 171.138 216.895 234.867 1.00 39.88 H +ATOM 16543 HB2 ALA B 506 170.559 215.857 235.921 1.00 39.88 H +ATOM 16544 HB3 ALA B 506 170.002 215.872 234.433 1.00 39.88 H +ATOM 16545 N LEU B 507 168.110 217.925 233.501 1.00 30.57 N +ATOM 16546 CA LEU B 507 167.747 218.725 232.335 1.00 32.29 C +ATOM 16547 C LEU B 507 167.134 220.061 232.731 1.00 34.27 C +ATOM 16548 O LEU B 507 167.381 221.077 232.086 1.00 33.69 O +ATOM 16549 CB LEU B 507 166.767 217.962 231.444 1.00 32.35 C +ATOM 16550 CG LEU B 507 167.338 216.843 230.571 1.00 29.98 C +ATOM 16551 CD1 LEU B 507 166.214 215.968 230.048 1.00 29.70 C +ATOM 16552 CD2 LEU B 507 168.141 217.414 229.421 1.00 30.82 C +ATOM 16553 H LEU B 507 167.712 217.164 233.540 1.00 36.68 H +ATOM 16554 HA LEU B 507 168.546 218.904 231.816 1.00 38.74 H +ATOM 16555 HB2 LEU B 507 166.092 217.562 232.014 1.00 38.82 H +ATOM 16556 HB3 LEU B 507 166.344 218.599 230.848 1.00 38.82 H +ATOM 16557 HG LEU B 507 167.927 216.290 231.107 1.00 35.98 H +ATOM 16558 HD11 LEU B 507 166.592 215.264 229.497 1.00 35.64 H +ATOM 16559 HD12 LEU B 507 165.739 215.580 230.801 1.00 35.64 H +ATOM 16560 HD13 LEU B 507 165.609 216.513 229.521 1.00 35.64 H +ATOM 16561 HD21 LEU B 507 168.489 216.684 228.886 1.00 36.98 H +ATOM 16562 HD22 LEU B 507 167.562 217.974 228.880 1.00 36.98 H +ATOM 16563 HD23 LEU B 507 168.872 217.941 229.779 1.00 36.98 H +ATOM 16564 N LEU B 508 166.337 220.056 233.794 1.00 36.55 N +ATOM 16565 CA LEU B 508 165.591 221.248 234.185 1.00 38.62 C +ATOM 16566 C LEU B 508 166.402 222.212 235.049 1.00 38.24 C +ATOM 16567 O LEU B 508 166.110 223.407 235.074 1.00 42.20 O +ATOM 16568 CB LEU B 508 164.313 220.847 234.921 1.00 40.79 C +ATOM 16569 CG LEU B 508 163.279 220.018 234.150 1.00 42.79 C +ATOM 16570 CD1 LEU B 508 161.919 220.148 234.816 1.00 43.29 C +ATOM 16571 CD2 LEU B 508 163.190 220.412 232.683 1.00 46.22 C +ATOM 16572 H LEU B 508 166.210 219.376 234.305 1.00 43.86 H +ATOM 16573 HA LEU B 508 165.330 221.725 233.382 1.00 46.34 H +ATOM 16574 HB2 LEU B 508 164.567 220.329 235.701 1.00 48.95 H +ATOM 16575 HB3 LEU B 508 163.868 221.658 235.211 1.00 48.95 H +ATOM 16576 HG LEU B 508 163.538 219.084 234.189 1.00 51.35 H +ATOM 16577 HD11 LEU B 508 161.273 219.620 234.321 1.00 51.95 H +ATOM 16578 HD12 LEU B 508 161.982 219.824 235.728 1.00 51.95 H +ATOM 16579 HD13 LEU B 508 161.655 221.081 234.814 1.00 51.95 H +ATOM 16580 HD21 LEU B 508 162.523 219.858 232.247 1.00 55.46 H +ATOM 16581 HD22 LEU B 508 162.934 221.346 232.623 1.00 55.46 H +ATOM 16582 HD23 LEU B 508 164.056 220.278 232.267 1.00 55.46 H +ATOM 16583 N VAL B 509 167.416 221.708 235.751 1.00 37.76 N +ATOM 16584 CA VAL B 509 168.253 222.564 236.593 1.00 43.80 C +ATOM 16585 C VAL B 509 169.570 222.910 235.910 1.00 45.36 C +ATOM 16586 O VAL B 509 170.343 223.718 236.426 1.00 45.43 O +ATOM 16587 CB VAL B 509 168.566 221.917 237.965 1.00 33.58 C +ATOM 16588 CG1 VAL B 509 167.282 221.490 238.657 1.00 32.27 C +ATOM 16589 CG2 VAL B 509 169.523 220.736 237.815 1.00 32.78 C +ATOM 16590 H VAL B 509 167.639 220.878 235.758 1.00 45.32 H +ATOM 16591 HA VAL B 509 167.779 223.394 236.760 1.00 52.56 H +ATOM 16592 HB VAL B 509 168.999 222.577 238.528 1.00 40.29 H +ATOM 16593 HG11 VAL B 509 167.503 221.088 239.512 1.00 38.72 H +ATOM 16594 HG12 VAL B 509 166.723 222.271 238.793 1.00 38.72 H +ATOM 16595 HG13 VAL B 509 166.821 220.846 238.098 1.00 38.72 H +ATOM 16596 HG21 VAL B 509 169.695 220.358 238.691 1.00 39.33 H +ATOM 16597 HG22 VAL B 509 169.114 220.070 237.241 1.00 39.33 H +ATOM 16598 HG23 VAL B 509 170.351 221.050 237.421 1.00 39.33 H +ATOM 16599 N GLU B 510 169.830 222.297 234.759 1.00 45.08 N +ATOM 16600 CA GLU B 510 171.050 222.582 234.010 1.00 38.60 C +ATOM 16601 C GLU B 510 171.145 224.067 233.682 1.00 43.35 C +ATOM 16602 O GLU B 510 170.134 224.729 233.450 1.00 37.35 O +ATOM 16603 CB GLU B 510 171.103 221.759 232.722 1.00 43.91 C +ATOM 16604 CG GLU B 510 172.370 221.975 231.899 1.00 45.40 C +ATOM 16605 CD GLU B 510 172.421 221.108 230.654 1.00 38.43 C +ATOM 16606 OE1 GLU B 510 171.393 220.998 229.955 1.00 36.84 O +ATOM 16607 OE2 GLU B 510 173.493 220.536 230.377 1.00 38.13 O +ATOM 16608 H GLU B 510 169.317 221.713 234.391 1.00 54.10 H +ATOM 16609 HA GLU B 510 171.818 222.343 234.552 1.00 46.32 H +ATOM 16610 HB2 GLU B 510 171.056 220.817 232.952 1.00 52.69 H +ATOM 16611 HB3 GLU B 510 170.345 221.999 232.167 1.00 52.69 H +ATOM 16612 HG2 GLU B 510 172.410 222.903 231.619 1.00 54.48 H +ATOM 16613 HG3 GLU B 510 173.142 221.760 232.445 1.00 54.48 H +ATOM 16614 N LYS B 511 172.366 224.584 233.681 1.00 49.17 N +ATOM 16615 CA LYS B 511 172.607 225.974 233.330 1.00 53.38 C +ATOM 16616 C LYS B 511 172.096 226.260 231.918 1.00 51.97 C +ATOM 16617 O LYS B 511 172.519 225.608 230.963 1.00 41.90 O +ATOM 16618 CB LYS B 511 174.095 226.290 233.420 1.00 53.75 C +ATOM 16619 CG LYS B 511 174.440 227.760 233.233 1.00 68.36 C +ATOM 16620 CD LYS B 511 175.825 227.919 232.630 1.00 82.67 C +ATOM 16621 CE LYS B 511 176.908 227.244 233.471 1.00 94.74 C +ATOM 16622 NZ LYS B 511 178.120 226.949 232.667 1.00 99.42 N +ATOM 16623 H LYS B 511 173.078 224.145 233.882 1.00 59.01 H +ATOM 16624 HA LYS B 511 172.133 226.550 233.950 1.00 64.06 H +ATOM 16625 HB2 LYS B 511 174.417 226.021 234.294 1.00 64.50 H +ATOM 16626 HB3 LYS B 511 174.561 225.789 232.732 1.00 64.50 H +ATOM 16627 HG2 LYS B 511 173.797 228.169 232.633 1.00 82.03 H +ATOM 16628 HG3 LYS B 511 174.429 228.206 234.094 1.00 82.03 H +ATOM 16629 HD2 LYS B 511 175.834 227.517 231.748 1.00 99.21 H +ATOM 16630 HD3 LYS B 511 176.037 228.864 232.568 1.00 99.21 H +ATOM 16631 HE2 LYS B 511 177.162 227.834 234.198 1.00113.69 H +ATOM 16632 HE3 LYS B 511 176.565 226.407 233.822 1.00113.69 H +ATOM 16633 HZ1 LYS B 511 178.734 226.557 233.177 1.00119.30 H +ATOM 16634 HZ2 LYS B 511 177.913 226.404 231.994 1.00119.30 H +ATOM 16635 HZ3 LYS B 511 178.456 227.703 232.336 1.00119.30 H +ATOM 16636 N PRO B 512 171.182 227.232 231.774 1.00 46.64 N +ATOM 16637 CA PRO B 512 170.717 227.555 230.422 1.00 52.15 C +ATOM 16638 C PRO B 512 171.818 228.152 229.556 1.00 48.77 C +ATOM 16639 O PRO B 512 172.777 228.713 230.083 1.00 54.92 O +ATOM 16640 CB PRO B 512 169.608 228.589 230.665 1.00 50.36 C +ATOM 16641 CG PRO B 512 169.248 228.458 232.100 1.00 56.59 C +ATOM 16642 CD PRO B 512 170.484 228.024 232.798 1.00 52.18 C +ATOM 16643 HA PRO B 512 170.345 226.771 229.988 1.00 62.58 H +ATOM 16644 HB2 PRO B 512 169.946 229.479 230.478 1.00 60.43 H +ATOM 16645 HB3 PRO B 512 168.845 228.387 230.101 1.00 60.43 H +ATOM 16646 HG2 PRO B 512 168.949 229.316 232.439 1.00 67.90 H +ATOM 16647 HG3 PRO B 512 168.550 227.791 232.199 1.00 67.90 H +ATOM 16648 HD2 PRO B 512 171.017 228.793 233.053 1.00 62.61 H +ATOM 16649 HD3 PRO B 512 170.265 227.471 233.564 1.00 62.61 H +ATOM 16650 N ARG B 513 171.682 228.028 228.241 1.00 51.64 N +ATOM 16651 CA ARG B 513 172.502 228.809 227.330 1.00 56.93 C +ATOM 16652 C ARG B 513 172.247 230.286 227.626 1.00 60.15 C +ATOM 16653 O ARG B 513 171.207 230.629 228.189 1.00 47.18 O +ATOM 16654 CB ARG B 513 172.174 228.482 225.871 1.00 59.56 C +ATOM 16655 CG ARG B 513 173.244 227.693 225.134 1.00 43.01 C +ATOM 16656 CD ARG B 513 173.410 226.299 225.699 1.00 47.76 C +ATOM 16657 NE ARG B 513 174.295 225.478 224.876 1.00 39.32 N +ATOM 16658 CZ ARG B 513 173.921 224.850 223.765 1.00 44.86 C +ATOM 16659 NH1 ARG B 513 174.799 224.122 223.086 1.00 39.60 N +ATOM 16660 NH2 ARG B 513 172.673 224.946 223.326 1.00 49.72 N +ATOM 16661 H ARG B 513 171.124 227.500 227.854 1.00 61.97 H +ATOM 16662 HA ARG B 513 173.440 228.617 227.487 1.00 68.31 H +ATOM 16663 HB2 ARG B 513 171.357 227.960 225.848 1.00 71.47 H +ATOM 16664 HB3 ARG B 513 172.041 229.315 225.391 1.00 71.47 H +ATOM 16665 HG2 ARG B 513 172.995 227.613 224.200 1.00 51.61 H +ATOM 16666 HG3 ARG B 513 174.093 228.155 225.215 1.00 51.61 H +ATOM 16667 HD2 ARG B 513 173.793 226.359 226.589 1.00 57.31 H +ATOM 16668 HD3 ARG B 513 172.543 225.865 225.737 1.00 57.31 H +ATOM 16669 HE ARG B 513 175.114 225.396 225.127 1.00 47.18 H +ATOM 16670 HH11 ARG B 513 175.610 224.057 223.365 1.00 47.52 H +ATOM 16671 HH12 ARG B 513 174.558 223.718 222.367 1.00 47.52 H +ATOM 16672 HH21 ARG B 513 172.099 225.415 223.762 1.00 59.66 H +ATOM 16673 HH22 ARG B 513 172.438 224.538 222.607 1.00 59.66 H +ATOM 16674 N PRO B 514 173.193 231.165 227.256 1.00 57.88 N +ATOM 16675 CA PRO B 514 173.018 232.601 227.510 1.00 56.64 C +ATOM 16676 C PRO B 514 171.683 233.144 226.998 1.00 50.91 C +ATOM 16677 O PRO B 514 171.431 233.130 225.793 1.00 47.11 O +ATOM 16678 CB PRO B 514 174.193 233.231 226.756 1.00 55.26 C +ATOM 16679 CG PRO B 514 175.233 232.173 226.737 1.00 50.68 C +ATOM 16680 CD PRO B 514 174.493 230.872 226.629 1.00 53.08 C +ATOM 16681 HA PRO B 514 173.103 232.791 228.457 1.00 67.97 H +ATOM 16682 HB2 PRO B 514 173.919 233.461 225.854 1.00 66.31 H +ATOM 16683 HB3 PRO B 514 174.507 234.015 227.233 1.00 66.31 H +ATOM 16684 HG2 PRO B 514 175.813 232.300 225.970 1.00 60.81 H +ATOM 16685 HG3 PRO B 514 175.745 232.206 227.561 1.00 60.81 H +ATOM 16686 HD2 PRO B 514 174.372 230.628 225.698 1.00 63.69 H +ATOM 16687 HD3 PRO B 514 174.957 230.176 227.121 1.00 63.69 H +ATOM 16688 N ASP B 515 170.841 233.599 227.923 1.00 57.21 N +ATOM 16689 CA ASP B 515 169.527 234.149 227.593 1.00 52.95 C +ATOM 16690 C ASP B 515 168.707 233.184 226.737 1.00 53.88 C +ATOM 16691 O ASP B 515 167.949 233.601 225.861 1.00 46.79 O +ATOM 16692 CB ASP B 515 169.682 235.492 226.879 1.00 52.60 C +ATOM 16693 CG ASP B 515 170.181 236.584 227.802 1.00 66.61 C +ATOM 16694 OD1 ASP B 515 169.578 236.769 228.879 1.00 66.05 O +ATOM 16695 OD2 ASP B 515 171.180 237.249 227.454 1.00 63.11 O +ATOM 16696 H ASP B 515 171.012 233.601 228.766 1.00 68.65 H +ATOM 16697 HA ASP B 515 169.038 234.304 228.416 1.00 63.54 H +ATOM 16698 HB2 ASP B 515 170.320 235.395 226.155 1.00 63.12 H +ATOM 16699 HB3 ASP B 515 168.820 235.766 226.528 1.00 63.12 H +ATOM 16700 N ALA B 516 168.861 231.892 227.009 1.00 57.19 N +ATOM 16701 CA ALA B 516 168.163 230.851 226.264 1.00 46.84 C +ATOM 16702 C ALA B 516 167.151 230.125 227.142 1.00 41.50 C +ATOM 16703 O ALA B 516 167.197 230.207 228.371 1.00 35.83 O +ATOM 16704 CB ALA B 516 169.156 229.862 225.683 1.00 41.21 C +ATOM 16705 H ALA B 516 169.374 231.588 227.629 1.00 68.62 H +ATOM 16706 HA ALA B 516 167.682 231.259 225.528 1.00 56.21 H +ATOM 16707 HB1 ALA B 516 168.671 229.179 225.193 1.00 49.45 H +ATOM 16708 HB2 ALA B 516 169.758 230.333 225.087 1.00 49.45 H +ATOM 16709 HB3 ALA B 516 169.657 229.456 226.408 1.00 49.45 H +ATOM 16710 N ILE B 517 166.236 229.413 226.495 1.00 46.58 N +ATOM 16711 CA ILE B 517 165.202 228.666 227.193 1.00 40.81 C +ATOM 16712 C ILE B 517 165.761 227.344 227.722 1.00 41.49 C +ATOM 16713 O ILE B 517 165.277 226.819 228.721 1.00 31.77 O +ATOM 16714 CB ILE B 517 163.988 228.404 226.265 1.00 38.91 C +ATOM 16715 CG1 ILE B 517 162.789 227.911 227.075 1.00 45.91 C +ATOM 16716 CG2 ILE B 517 164.346 227.411 225.165 1.00 53.67 C +ATOM 16717 CD1 ILE B 517 161.497 227.862 226.283 1.00 49.88 C +ATOM 16718 H ILE B 517 166.193 229.348 225.638 1.00 55.89 H +ATOM 16719 HA ILE B 517 164.894 229.187 227.951 1.00 48.97 H +ATOM 16720 HB ILE B 517 163.743 229.243 225.845 1.00 46.69 H +ATOM 16721 HG12 ILE B 517 162.975 227.014 227.395 1.00 55.09 H +ATOM 16722 HG13 ILE B 517 162.653 228.507 227.828 1.00 55.09 H +ATOM 16723 HG21 ILE B 517 163.567 227.269 224.604 1.00 64.40 H +ATOM 16724 HG22 ILE B 517 165.073 227.775 224.636 1.00 64.40 H +ATOM 16725 HG23 ILE B 517 164.619 226.574 225.572 1.00 64.40 H +ATOM 16726 HD11 ILE B 517 160.786 227.542 226.860 1.00 59.85 H +ATOM 16727 HD12 ILE B 517 161.289 228.754 225.964 1.00 59.85 H +ATOM 16728 HD13 ILE B 517 161.611 227.260 225.531 1.00 59.85 H +ATOM 16729 N PHE B 518 166.789 226.823 227.056 1.00 44.91 N +ATOM 16730 CA PHE B 518 167.366 225.520 227.396 1.00 44.60 C +ATOM 16731 C PHE B 518 168.850 225.566 227.720 1.00 44.03 C +ATOM 16732 O PHE B 518 169.559 226.500 227.348 1.00 47.07 O +ATOM 16733 CB PHE B 518 167.177 224.532 226.243 1.00 44.84 C +ATOM 16734 CG PHE B 518 165.751 224.191 225.954 1.00 42.75 C +ATOM 16735 CD1 PHE B 518 164.819 224.096 226.968 1.00 41.15 C +ATOM 16736 CD2 PHE B 518 165.344 223.964 224.655 1.00 49.27 C +ATOM 16737 CE1 PHE B 518 163.509 223.778 226.686 1.00 44.93 C +ATOM 16738 CE2 PHE B 518 164.040 223.643 224.377 1.00 44.59 C +ATOM 16739 CZ PHE B 518 163.121 223.556 225.389 1.00 35.31 C +ATOM 16740 H PHE B 518 167.177 227.210 226.393 1.00 53.89 H +ATOM 16741 HA PHE B 518 166.903 225.166 228.171 1.00 53.52 H +ATOM 16742 HB2 PHE B 518 167.557 224.917 225.438 1.00 53.81 H +ATOM 16743 HB3 PHE B 518 167.639 223.707 226.461 1.00 53.81 H +ATOM 16744 HD1 PHE B 518 165.078 224.247 227.848 1.00 49.39 H +ATOM 16745 HD2 PHE B 518 165.961 224.022 223.962 1.00 59.13 H +ATOM 16746 HE1 PHE B 518 162.887 223.717 227.375 1.00 53.92 H +ATOM 16747 HE2 PHE B 518 163.777 223.493 223.497 1.00 53.51 H +ATOM 16748 HZ PHE B 518 162.237 223.340 225.198 1.00 42.37 H +ATOM 16749 N GLY B 519 169.307 224.524 228.407 1.00 41.09 N +ATOM 16750 CA GLY B 519 170.724 224.259 228.560 1.00 46.22 C +ATOM 16751 C GLY B 519 171.218 223.374 227.428 1.00 38.13 C +ATOM 16752 O GLY B 519 170.431 222.916 226.599 1.00 41.60 O +ATOM 16753 H GLY B 519 168.803 223.948 228.799 1.00 49.31 H +ATOM 16754 HA2 GLY B 519 171.219 225.093 228.546 1.00 55.46 H +ATOM 16755 HA3 GLY B 519 170.887 223.810 229.404 1.00 55.46 H +ATOM 16756 N GLU B 520 172.521 223.125 227.406 1.00 38.83 N +ATOM 16757 CA GLU B 520 173.169 222.373 226.336 1.00 36.94 C +ATOM 16758 C GLU B 520 172.563 220.989 226.078 1.00 38.79 C +ATOM 16759 O GLU B 520 172.365 220.601 224.927 1.00 39.62 O +ATOM 16760 CB GLU B 520 174.655 222.219 226.662 1.00 47.87 C +ATOM 16761 CG GLU B 520 175.472 221.455 225.623 1.00 53.32 C +ATOM 16762 CD GLU B 520 176.885 221.153 226.093 1.00 50.16 C +ATOM 16763 OE1 GLU B 520 177.117 221.123 227.321 1.00 37.84 O +ATOM 16764 OE2 GLU B 520 177.765 220.945 225.232 1.00 50.82 O +ATOM 16765 H GLU B 520 173.067 223.389 228.016 1.00 46.59 H +ATOM 16766 HA GLU B 520 173.098 222.882 225.514 1.00 44.33 H +ATOM 16767 HB2 GLU B 520 175.045 223.103 226.747 1.00 57.44 H +ATOM 16768 HB3 GLU B 520 174.738 221.745 227.505 1.00 57.44 H +ATOM 16769 HG2 GLU B 520 175.032 220.611 225.434 1.00 63.98 H +ATOM 16770 HG3 GLU B 520 175.531 221.987 224.814 1.00 63.98 H +ATOM 16771 N THR B 521 172.280 220.247 227.142 1.00 34.61 N +ATOM 16772 CA THR B 521 171.903 218.842 227.004 1.00 33.38 C +ATOM 16773 C THR B 521 170.519 218.660 226.388 1.00 35.24 C +ATOM 16774 O THR B 521 170.307 217.733 225.609 1.00 28.67 O +ATOM 16775 CB THR B 521 171.935 218.113 228.361 1.00 33.41 C +ATOM 16776 OG1 THR B 521 173.205 218.320 228.991 1.00 29.48 O +ATOM 16777 CG2 THR B 521 171.713 216.619 228.172 1.00 29.30 C +ATOM 16778 H THR B 521 172.298 220.530 227.954 1.00 41.53 H +ATOM 16779 HA THR B 521 172.544 218.406 226.420 1.00 40.06 H +ATOM 16780 HB THR B 521 171.231 218.459 228.931 1.00 40.10 H +ATOM 16781 HG1 THR B 521 173.333 219.141 229.117 1.00 35.38 H +ATOM 16782 HG21 THR B 521 171.735 216.169 229.032 1.00 35.16 H +ATOM 16783 HG22 THR B 521 170.851 216.462 227.757 1.00 35.16 H +ATOM 16784 HG23 THR B 521 172.408 216.250 227.606 1.00 35.16 H +ATOM 16785 N MET B 522 169.576 219.530 226.737 1.00 35.61 N +ATOM 16786 CA MET B 522 168.228 219.447 226.183 1.00 35.12 C +ATOM 16787 C MET B 522 168.268 219.520 224.661 1.00 34.71 C +ATOM 16788 O MET B 522 167.590 218.759 223.973 1.00 23.82 O +ATOM 16789 CB MET B 522 167.343 220.567 226.733 1.00 39.51 C +ATOM 16790 CG MET B 522 165.898 220.526 226.236 1.00 34.39 C +ATOM 16791 SD MET B 522 164.896 219.279 227.068 1.00 32.04 S +ATOM 16792 CE MET B 522 164.693 220.041 228.674 1.00 37.55 C +ATOM 16793 H MET B 522 169.691 220.177 227.293 1.00 42.73 H +ATOM 16794 HA MET B 522 167.833 218.601 226.446 1.00 42.14 H +ATOM 16795 HB2 MET B 522 167.325 220.502 227.700 1.00 47.41 H +ATOM 16796 HB3 MET B 522 167.722 221.420 226.469 1.00 47.41 H +ATOM 16797 HG2 MET B 522 165.487 221.391 226.392 1.00 41.27 H +ATOM 16798 HG3 MET B 522 165.897 220.326 225.287 1.00 41.27 H +ATOM 16799 HE1 MET B 522 164.158 219.458 229.235 1.00 45.06 H +ATOM 16800 HE2 MET B 522 165.568 220.173 229.073 1.00 45.06 H +ATOM 16801 HE3 MET B 522 164.247 220.895 228.564 1.00 45.06 H +ATOM 16802 N VAL B 523 169.076 220.439 224.147 1.00 28.81 N +ATOM 16803 CA VAL B 523 169.164 220.679 222.714 1.00 32.76 C +ATOM 16804 C VAL B 523 169.855 219.530 221.986 1.00 31.09 C +ATOM 16805 O VAL B 523 169.341 219.018 220.993 1.00 30.54 O +ATOM 16806 CB VAL B 523 169.924 221.991 222.419 1.00 36.25 C +ATOM 16807 CG1 VAL B 523 169.990 222.255 220.922 1.00 37.64 C +ATOM 16808 CG2 VAL B 523 169.265 223.158 223.133 1.00 40.36 C +ATOM 16809 H VAL B 523 169.591 220.944 224.615 1.00 34.58 H +ATOM 16810 HA VAL B 523 168.267 220.765 222.354 1.00 39.32 H +ATOM 16811 HB VAL B 523 170.833 221.911 222.750 1.00 43.50 H +ATOM 16812 HG11 VAL B 523 170.472 223.083 220.768 1.00 45.17 H +ATOM 16813 HG12 VAL B 523 170.452 221.518 220.492 1.00 45.17 H +ATOM 16814 HG13 VAL B 523 169.087 222.328 220.574 1.00 45.17 H +ATOM 16815 HG21 VAL B 523 169.758 223.969 222.934 1.00 48.44 H +ATOM 16816 HG22 VAL B 523 168.350 223.242 222.822 1.00 48.44 H +ATOM 16817 HG23 VAL B 523 169.276 222.990 224.088 1.00 48.44 H +ATOM 16818 N GLU B 524 171.025 219.136 222.478 1.00 27.05 N +ATOM 16819 CA GLU B 524 171.851 218.154 221.786 1.00 26.58 C +ATOM 16820 C GLU B 524 171.249 216.752 221.839 1.00 32.16 C +ATOM 16821 O GLU B 524 171.513 215.929 220.964 1.00 32.34 O +ATOM 16822 CB GLU B 524 173.261 218.146 222.376 1.00 34.38 C +ATOM 16823 CG GLU B 524 174.028 219.443 222.143 1.00 36.47 C +ATOM 16824 CD GLU B 524 174.198 219.760 220.670 1.00 43.22 C +ATOM 16825 OE1 GLU B 524 174.582 218.848 219.907 1.00 37.08 O +ATOM 16826 OE2 GLU B 524 173.934 220.915 220.273 1.00 38.08 O +ATOM 16827 H GLU B 524 171.364 219.423 223.214 1.00 32.46 H +ATOM 16828 HA GLU B 524 171.922 218.410 220.853 1.00 31.90 H +ATOM 16829 HB2 GLU B 524 173.198 218.006 223.334 1.00 41.26 H +ATOM 16830 HB3 GLU B 524 173.766 217.425 221.970 1.00 41.26 H +ATOM 16831 HG2 GLU B 524 173.544 220.176 222.554 1.00 43.76 H +ATOM 16832 HG3 GLU B 524 174.910 219.364 222.538 1.00 43.76 H +ATOM 16833 N VAL B 525 170.443 216.487 222.860 1.00 26.52 N +ATOM 16834 CA VAL B 525 169.761 215.203 222.991 1.00 26.72 C +ATOM 16835 C VAL B 525 168.428 215.228 222.248 1.00 27.93 C +ATOM 16836 O VAL B 525 168.047 214.254 221.600 1.00 27.22 O +ATOM 16837 CB VAL B 525 169.517 214.838 224.473 1.00 25.46 C +ATOM 16838 CG1 VAL B 525 168.702 213.554 224.592 1.00 24.16 C +ATOM 16839 CG2 VAL B 525 170.842 214.691 225.207 1.00 28.72 C +ATOM 16840 H VAL B 525 170.271 217.039 223.496 1.00 31.83 H +ATOM 16841 HA VAL B 525 170.313 214.509 222.597 1.00 32.07 H +ATOM 16842 HB VAL B 525 169.016 215.552 224.896 1.00 30.55 H +ATOM 16843 HG11 VAL B 525 168.566 213.353 225.531 1.00 28.99 H +ATOM 16844 HG12 VAL B 525 167.846 213.682 224.154 1.00 28.99 H +ATOM 16845 HG13 VAL B 525 169.188 212.832 224.166 1.00 28.99 H +ATOM 16846 HG21 VAL B 525 170.666 214.462 226.133 1.00 34.46 H +ATOM 16847 HG22 VAL B 525 171.360 213.988 224.785 1.00 34.46 H +ATOM 16848 HG23 VAL B 525 171.324 215.532 225.159 1.00 34.46 H +ATOM 16849 N GLY B 526 167.724 216.350 222.344 1.00 27.25 N +ATOM 16850 CA GLY B 526 166.400 216.472 221.763 1.00 26.15 C +ATOM 16851 C GLY B 526 166.381 216.624 220.253 1.00 25.50 C +ATOM 16852 O GLY B 526 165.551 216.010 219.584 1.00 22.06 O +ATOM 16853 H GLY B 526 167.997 217.060 222.745 1.00 32.70 H +ATOM 16854 HA2 GLY B 526 165.881 215.685 221.992 1.00 31.38 H +ATOM 16855 HA3 GLY B 526 165.957 217.245 222.147 1.00 31.38 H +ATOM 16856 N ALA B 527 167.292 217.435 219.722 1.00 22.04 N +ATOM 16857 CA ALA B 527 167.297 217.768 218.297 1.00 27.89 C +ATOM 16858 C ALA B 527 167.352 216.536 217.384 1.00 20.72 C +ATOM 16859 O ALA B 527 166.606 216.461 216.415 1.00 24.50 O +ATOM 16860 CB ALA B 527 168.461 218.717 217.980 1.00 27.33 C +ATOM 16861 H ALA B 527 167.925 217.810 220.169 1.00 26.45 H +ATOM 16862 HA ALA B 527 166.475 218.240 218.093 1.00 33.47 H +ATOM 16863 HB1 ALA B 527 168.448 218.926 217.032 1.00 32.80 H +ATOM 16864 HB2 ALA B 527 168.356 219.529 218.500 1.00 32.80 H +ATOM 16865 HB3 ALA B 527 169.296 218.280 218.211 1.00 32.80 H +ATOM 16866 N PRO B 528 168.230 215.565 217.684 1.00 23.33 N +ATOM 16867 CA PRO B 528 168.280 214.368 216.837 1.00 24.68 C +ATOM 16868 C PRO B 528 166.970 213.578 216.802 1.00 24.44 C +ATOM 16869 O PRO B 528 166.558 213.124 215.736 1.00 23.13 O +ATOM 16870 CB PRO B 528 169.393 213.537 217.480 1.00 25.93 C +ATOM 16871 CG PRO B 528 170.234 214.523 218.185 1.00 27.97 C +ATOM 16872 CD PRO B 528 169.288 215.543 218.709 1.00 25.38 C +ATOM 16873 HA PRO B 528 168.537 214.605 215.932 1.00 29.61 H +ATOM 16874 HB2 PRO B 528 169.010 212.902 218.105 1.00 31.12 H +ATOM 16875 HB3 PRO B 528 169.902 213.080 216.792 1.00 31.12 H +ATOM 16876 HG2 PRO B 528 170.707 214.089 218.912 1.00 33.56 H +ATOM 16877 HG3 PRO B 528 170.859 214.924 217.561 1.00 33.56 H +ATOM 16878 HD2 PRO B 528 168.926 215.263 219.564 1.00 30.46 H +ATOM 16879 HD3 PRO B 528 169.721 216.409 218.769 1.00 30.46 H +ATOM 16880 N PHE B 529 166.337 213.405 217.958 1.00 23.94 N +ATOM 16881 CA PHE B 529 165.032 212.762 218.022 1.00 27.37 C +ATOM 16882 C PHE B 529 164.016 213.505 217.156 1.00 23.12 C +ATOM 16883 O PHE B 529 163.275 212.895 216.388 1.00 26.28 O +ATOM 16884 CB PHE B 529 164.528 212.706 219.466 1.00 24.49 C +ATOM 16885 CG PHE B 529 165.243 211.710 220.333 1.00 24.84 C +ATOM 16886 CD1 PHE B 529 165.453 210.413 219.901 1.00 28.83 C +ATOM 16887 CD2 PHE B 529 165.697 212.073 221.590 1.00 27.15 C +ATOM 16888 CE1 PHE B 529 166.103 209.497 220.706 1.00 21.01 C +ATOM 16889 CE2 PHE B 529 166.347 211.160 222.397 1.00 25.17 C +ATOM 16890 CZ PHE B 529 166.550 209.870 221.953 1.00 25.14 C +ATOM 16891 H PHE B 529 166.645 213.652 218.722 1.00 28.73 H +ATOM 16892 HA PHE B 529 165.107 211.854 217.692 1.00 32.84 H +ATOM 16893 HB2 PHE B 529 164.639 213.582 219.868 1.00 29.39 H +ATOM 16894 HB3 PHE B 529 163.587 212.468 219.457 1.00 29.39 H +ATOM 16895 HD1 PHE B 529 165.151 210.154 219.060 1.00 34.60 H +ATOM 16896 HD2 PHE B 529 165.561 212.940 221.895 1.00 32.59 H +ATOM 16897 HE1 PHE B 529 166.240 208.628 220.404 1.00 25.21 H +ATOM 16898 HE2 PHE B 529 166.649 211.416 223.239 1.00 30.20 H +ATOM 16899 HZ PHE B 529 166.990 209.255 222.494 1.00 30.17 H +ATOM 16900 N SER B 530 163.990 214.824 217.293 1.00 25.63 N +ATOM 16901 CA SER B 530 163.041 215.657 216.571 1.00 25.07 C +ATOM 16902 C SER B 530 163.202 215.527 215.064 1.00 24.37 C +ATOM 16903 O SER B 530 162.231 215.298 214.344 1.00 19.06 O +ATOM 16904 CB SER B 530 163.205 217.120 216.981 1.00 24.21 C +ATOM 16905 OG SER B 530 162.310 217.953 216.262 1.00 27.65 O +ATOM 16906 H SER B 530 164.521 215.266 217.806 1.00 30.75 H +ATOM 16907 HA SER B 530 162.140 215.380 216.801 1.00 30.09 H +ATOM 16908 HB2 SER B 530 163.021 217.204 217.929 1.00 29.05 H +ATOM 16909 HB3 SER B 530 164.115 217.400 216.793 1.00 29.05 H +ATOM 16910 HG SER B 530 162.411 218.753 216.497 1.00 33.18 H +ATOM 16911 N LEU B 531 164.431 215.676 214.585 1.00 21.01 N +ATOM 16912 CA LEU B 531 164.684 215.696 213.154 1.00 25.34 C +ATOM 16913 C LEU B 531 164.416 214.344 212.522 1.00 25.65 C +ATOM 16914 O LEU B 531 163.990 214.271 211.366 1.00 30.23 O +ATOM 16915 CB LEU B 531 166.123 216.145 212.873 1.00 26.90 C +ATOM 16916 CG LEU B 531 166.424 217.601 213.251 1.00 22.35 C +ATOM 16917 CD1 LEU B 531 167.891 217.908 213.050 1.00 33.89 C +ATOM 16918 CD2 LEU B 531 165.564 218.569 212.445 1.00 28.45 C +ATOM 16919 H LEU B 531 165.135 215.769 215.069 1.00 25.22 H +ATOM 16920 HA LEU B 531 164.088 216.339 212.741 1.00 30.40 H +ATOM 16921 HB2 LEU B 531 166.728 215.579 213.377 1.00 32.28 H +ATOM 16922 HB3 LEU B 531 166.298 216.045 211.924 1.00 32.28 H +ATOM 16923 HG LEU B 531 166.219 217.730 214.190 1.00 26.82 H +ATOM 16924 HD11 LEU B 531 168.056 218.832 213.295 1.00 40.67 H +ATOM 16925 HD12 LEU B 531 168.417 217.317 213.612 1.00 40.67 H +ATOM 16926 HD13 LEU B 531 168.118 217.767 212.117 1.00 40.67 H +ATOM 16927 HD21 LEU B 531 165.780 219.477 212.709 1.00 34.15 H +ATOM 16928 HD22 LEU B 531 165.749 218.445 211.501 1.00 34.15 H +ATOM 16929 HD23 LEU B 531 164.629 218.385 212.626 1.00 34.15 H +ATOM 16930 N LYS B 532 164.652 213.272 213.267 1.00 22.86 N +ATOM 16931 CA LYS B 532 164.378 211.943 212.737 1.00 24.78 C +ATOM 16932 C LYS B 532 162.870 211.747 212.553 1.00 26.86 C +ATOM 16933 O LYS B 532 162.429 211.129 211.586 1.00 32.65 O +ATOM 16934 CB LYS B 532 164.948 210.855 213.656 1.00 24.29 C +ATOM 16935 CG LYS B 532 165.858 209.808 212.997 1.00 30.23 C +ATOM 16936 CD LYS B 532 165.627 209.673 211.494 1.00 27.68 C +ATOM 16937 CE LYS B 532 166.231 208.418 210.933 1.00 26.12 C +ATOM 16938 NZ LYS B 532 165.423 207.236 211.263 1.00 33.73 N +ATOM 16939 H LYS B 532 164.964 213.285 214.068 1.00 27.43 H +ATOM 16940 HA LYS B 532 164.802 211.855 211.868 1.00 29.73 H +ATOM 16941 HB2 LYS B 532 165.466 211.287 214.353 1.00 29.14 H +ATOM 16942 HB3 LYS B 532 164.205 210.378 214.058 1.00 29.14 H +ATOM 16943 HG2 LYS B 532 166.783 210.064 213.136 1.00 36.27 H +ATOM 16944 HG3 LYS B 532 165.689 208.944 213.404 1.00 36.27 H +ATOM 16945 HD2 LYS B 532 164.673 209.652 211.320 1.00 33.22 H +ATOM 16946 HD3 LYS B 532 166.032 210.430 211.042 1.00 33.22 H +ATOM 16947 HE2 LYS B 532 166.281 208.492 209.967 1.00 31.34 H +ATOM 16948 HE3 LYS B 532 167.117 208.294 211.307 1.00 31.34 H +ATOM 16949 HZ1 LYS B 532 165.799 206.506 210.921 1.00 40.47 H +ATOM 16950 HZ2 LYS B 532 165.365 207.145 212.146 1.00 40.47 H +ATOM 16951 HZ3 LYS B 532 164.604 207.324 210.927 1.00 40.47 H +ATOM 16952 N GLY B 533 162.087 212.266 213.491 1.00 21.25 N +ATOM 16953 CA GLY B 533 160.642 212.154 213.417 1.00 20.38 C +ATOM 16954 C GLY B 533 160.043 213.000 212.309 1.00 27.36 C +ATOM 16955 O GLY B 533 159.007 212.656 211.739 1.00 24.37 O +ATOM 16956 H GLY B 533 162.372 212.689 214.183 1.00 25.51 H +ATOM 16957 HA2 GLY B 533 160.399 211.228 213.260 1.00 24.45 H +ATOM 16958 HA3 GLY B 533 160.254 212.435 214.260 1.00 24.45 H +ATOM 16959 N LEU B 534 160.694 214.113 211.996 1.00 23.55 N +ATOM 16960 CA LEU B 534 160.212 215.006 210.953 1.00 20.26 C +ATOM 16961 C LEU B 534 160.619 214.536 209.556 1.00 25.01 C +ATOM 16962 O LEU B 534 159.764 214.335 208.694 1.00 23.96 O +ATOM 16963 CB LEU B 534 160.724 216.425 211.206 1.00 22.91 C +ATOM 16964 CG LEU B 534 160.197 217.052 212.501 1.00 24.34 C +ATOM 16965 CD1 LEU B 534 160.985 218.298 212.859 1.00 29.07 C +ATOM 16966 CD2 LEU B 534 158.711 217.367 212.382 1.00 23.88 C +ATOM 16967 H LEU B 534 161.420 214.375 212.375 1.00 28.26 H +ATOM 16968 HA LEU B 534 159.243 215.031 210.986 1.00 24.31 H +ATOM 16969 HB2 LEU B 534 161.692 216.403 211.260 1.00 27.49 H +ATOM 16970 HB3 LEU B 534 160.448 216.993 210.469 1.00 27.49 H +ATOM 16971 HG LEU B 534 160.308 216.414 213.223 1.00 29.20 H +ATOM 16972 HD11 LEU B 534 160.630 218.670 213.681 1.00 34.89 H +ATOM 16973 HD12 LEU B 534 161.917 218.057 212.981 1.00 34.89 H +ATOM 16974 HD13 LEU B 534 160.901 218.942 212.139 1.00 34.89 H +ATOM 16975 HD21 LEU B 534 158.405 217.762 213.213 1.00 28.66 H +ATOM 16976 HD22 LEU B 534 158.578 217.990 211.650 1.00 28.66 H +ATOM 16977 HD23 LEU B 534 158.227 216.544 212.207 1.00 28.66 H +ATOM 16978 N MET B 535 161.917 214.351 209.332 1.00 28.67 N +ATOM 16979 CA MET B 535 162.408 213.999 208.004 1.00 29.78 C +ATOM 16980 C MET B 535 162.248 212.506 207.718 1.00 27.42 C +ATOM 16981 O MET B 535 162.241 212.087 206.563 1.00 26.87 O +ATOM 16982 CB MET B 535 163.874 214.411 207.841 1.00 27.44 C +ATOM 16983 CG MET B 535 164.129 215.912 207.958 1.00 27.80 C +ATOM 16984 SD MET B 535 163.039 216.955 206.959 1.00 29.23 S +ATOM 16985 CE MET B 535 163.403 216.375 205.305 1.00 26.84 C +ATOM 16986 H MET B 535 162.532 214.423 209.930 1.00 34.40 H +ATOM 16987 HA MET B 535 161.893 214.493 207.347 1.00 35.73 H +ATOM 16988 HB2 MET B 535 164.398 213.969 208.527 1.00 32.93 H +ATOM 16989 HB3 MET B 535 164.180 214.128 206.965 1.00 32.93 H +ATOM 16990 HG2 MET B 535 164.013 216.173 208.885 1.00 33.36 H +ATOM 16991 HG3 MET B 535 165.041 216.093 207.681 1.00 33.36 H +ATOM 16992 HE1 MET B 535 162.865 216.873 204.670 1.00 32.21 H +ATOM 16993 HE2 MET B 535 164.346 216.515 205.122 1.00 32.21 H +ATOM 16994 HE3 MET B 535 163.192 215.430 205.249 1.00 32.21 H +ATOM 16995 N GLY B 536 162.113 211.708 208.772 1.00 28.96 N +ATOM 16996 CA GLY B 536 161.920 210.276 208.621 1.00 23.70 C +ATOM 16997 C GLY B 536 160.501 209.907 208.228 1.00 23.28 C +ATOM 16998 O GLY B 536 160.173 208.728 208.108 1.00 30.38 O +ATOM 16999 H GLY B 536 162.129 211.975 209.589 1.00 34.75 H +ATOM 17000 HA2 GLY B 536 162.523 209.940 207.939 1.00 28.44 H +ATOM 17001 HA3 GLY B 536 162.130 209.834 209.459 1.00 28.44 H +ATOM 17002 N ASN B 537 159.655 210.912 208.031 1.00 35.64 N +ATOM 17003 CA ASN B 537 158.275 210.682 207.624 1.00 28.83 C +ATOM 17004 C ASN B 537 158.206 210.251 206.163 1.00 33.72 C +ATOM 17005 O ASN B 537 158.958 210.753 205.325 1.00 30.51 O +ATOM 17006 CB ASN B 537 157.442 211.943 207.848 1.00 32.13 C +ATOM 17007 CG ASN B 537 155.955 211.693 207.701 1.00 27.23 C +ATOM 17008 OD1 ASN B 537 155.449 211.518 206.595 1.00 28.98 O +ATOM 17009 ND2 ASN B 537 155.246 211.682 208.822 1.00 24.43 N +ATOM 17010 H ASN B 537 159.858 211.742 208.128 1.00 42.77 H +ATOM 17011 HA ASN B 537 157.898 209.971 208.166 1.00 34.60 H +ATOM 17012 HB2 ASN B 537 157.604 212.274 208.745 1.00 38.55 H +ATOM 17013 HB3 ASN B 537 157.700 212.612 207.195 1.00 38.55 H +ATOM 17014 HD21 ASN B 537 154.397 211.544 208.792 1.00 29.32 H +ATOM 17015 HD22 ASN B 537 155.634 211.812 209.578 1.00 29.32 H +ATOM 17016 N VAL B 538 157.301 209.325 205.864 1.00 27.18 N +ATOM 17017 CA VAL B 538 157.200 208.732 204.531 1.00 25.62 C +ATOM 17018 C VAL B 538 157.003 209.761 203.412 1.00 29.64 C +ATOM 17019 O VAL B 538 157.472 209.548 202.297 1.00 24.48 O +ATOM 17020 CB VAL B 538 156.037 207.694 204.469 1.00 30.14 C +ATOM 17021 CG1 VAL B 538 154.726 208.314 204.907 1.00 25.01 C +ATOM 17022 CG2 VAL B 538 155.905 207.094 203.071 1.00 27.96 C +ATOM 17023 H VAL B 538 156.726 209.017 206.424 1.00 32.62 H +ATOM 17024 HA VAL B 538 158.024 208.256 204.345 1.00 30.74 H +ATOM 17025 HB VAL B 538 156.237 206.969 205.081 1.00 36.17 H +ATOM 17026 HG11 VAL B 538 154.027 207.643 204.856 1.00 30.01 H +ATOM 17027 HG12 VAL B 538 154.816 208.630 205.820 1.00 30.01 H +ATOM 17028 HG13 VAL B 538 154.516 209.057 204.319 1.00 30.01 H +ATOM 17029 HG21 VAL B 538 155.175 206.455 203.070 1.00 33.56 H +ATOM 17030 HG22 VAL B 538 155.724 207.806 202.438 1.00 33.56 H +ATOM 17031 HG23 VAL B 538 156.735 206.648 202.840 1.00 33.56 H +ATOM 17032 N ILE B 539 156.320 210.869 203.693 1.00 22.65 N +ATOM 17033 CA ILE B 539 156.054 211.845 202.642 1.00 26.79 C +ATOM 17034 C ILE B 539 157.342 212.546 202.210 1.00 28.75 C +ATOM 17035 O ILE B 539 157.391 213.165 201.146 1.00 31.37 O +ATOM 17036 CB ILE B 539 155.004 212.909 203.061 1.00 25.04 C +ATOM 17037 CG1 ILE B 539 155.536 213.845 204.156 1.00 32.35 C +ATOM 17038 CG2 ILE B 539 153.710 212.237 203.518 1.00 31.06 C +ATOM 17039 CD1 ILE B 539 154.802 215.163 204.214 1.00 32.52 C +ATOM 17040 H ILE B 539 156.007 211.075 204.467 1.00 27.17 H +ATOM 17041 HA ILE B 539 155.702 211.376 201.869 1.00 32.14 H +ATOM 17042 HB ILE B 539 154.800 213.449 202.281 1.00 30.05 H +ATOM 17043 HG12 ILE B 539 155.438 213.409 205.018 1.00 38.82 H +ATOM 17044 HG13 ILE B 539 156.472 214.031 203.984 1.00 38.82 H +ATOM 17045 HG21 ILE B 539 153.073 212.922 203.774 1.00 37.28 H +ATOM 17046 HG22 ILE B 539 153.354 211.710 202.787 1.00 37.28 H +ATOM 17047 HG23 ILE B 539 153.903 211.665 204.277 1.00 37.28 H +ATOM 17048 HD11 ILE B 539 155.184 215.705 204.923 1.00 39.02 H +ATOM 17049 HD12 ILE B 539 154.899 215.616 203.362 1.00 39.02 H +ATOM 17050 HD13 ILE B 539 153.864 214.994 204.395 1.00 39.02 H +ATOM 17051 N CYS B 540 158.382 212.443 203.033 1.00 28.05 N +ATOM 17052 CA CYS B 540 159.680 213.027 202.710 1.00 25.76 C +ATOM 17053 C CYS B 540 160.515 212.094 201.844 1.00 27.40 C +ATOM 17054 O CYS B 540 161.581 212.484 201.367 1.00 30.07 O +ATOM 17055 CB CYS B 540 160.457 213.365 203.983 1.00 30.29 C +ATOM 17056 SG CYS B 540 159.650 214.557 205.050 1.00 29.66 S +ATOM 17057 H CYS B 540 158.361 212.036 203.790 1.00 33.65 H +ATOM 17058 HA CYS B 540 159.541 213.850 202.216 1.00 30.92 H +ATOM 17059 HB2 CYS B 540 160.585 212.551 204.495 1.00 36.35 H +ATOM 17060 HB3 CYS B 540 161.319 213.732 203.732 1.00 36.35 H +ATOM 17061 HG CYS B 540 160.339 214.750 206.012 1.00 35.59 H +ATOM 17062 N SER B 541 160.043 210.865 201.649 1.00 32.45 N +ATOM 17063 CA SER B 541 160.765 209.910 200.816 1.00 33.89 C +ATOM 17064 C SER B 541 160.548 210.261 199.340 1.00 33.35 C +ATOM 17065 O SER B 541 159.501 210.796 198.980 1.00 28.87 O +ATOM 17066 CB SER B 541 160.313 208.475 201.106 1.00 25.62 C +ATOM 17067 OG SER B 541 159.031 208.207 200.566 1.00 28.26 O +ATOM 17068 H SER B 541 159.312 210.562 201.986 1.00 38.94 H +ATOM 17069 HA SER B 541 161.714 209.973 201.006 1.00 40.67 H +ATOM 17070 HB2 SER B 541 160.953 207.861 200.713 1.00 30.74 H +ATOM 17071 HB3 SER B 541 160.281 208.346 202.067 1.00 30.74 H +ATOM 17072 HG SER B 541 158.464 208.730 200.899 1.00 33.92 H +ATOM 17073 N PRO B 542 161.544 209.972 198.484 1.00 32.52 N +ATOM 17074 CA PRO B 542 161.483 210.359 197.067 1.00 31.65 C +ATOM 17075 C PRO B 542 160.254 209.852 196.313 1.00 32.47 C +ATOM 17076 O PRO B 542 159.765 210.557 195.431 1.00 30.27 O +ATOM 17077 CB PRO B 542 162.767 209.750 196.476 1.00 30.99 C +ATOM 17078 CG PRO B 542 163.366 208.896 197.548 1.00 30.73 C +ATOM 17079 CD PRO B 542 162.860 209.419 198.840 1.00 36.23 C +ATOM 17080 HA PRO B 542 161.527 211.324 196.986 1.00 37.98 H +ATOM 17081 HB2 PRO B 542 162.541 209.212 195.701 1.00 37.19 H +ATOM 17082 HB3 PRO B 542 163.378 210.461 196.229 1.00 37.19 H +ATOM 17083 HG2 PRO B 542 163.085 207.976 197.421 1.00 36.88 H +ATOM 17084 HG3 PRO B 542 164.333 208.963 197.510 1.00 36.88 H +ATOM 17085 HD2 PRO B 542 162.762 208.698 199.482 1.00 43.48 H +ATOM 17086 HD3 PRO B 542 163.443 210.118 199.175 1.00 43.48 H +ATOM 17087 N ALA B 543 159.754 208.666 196.642 1.00 29.82 N +ATOM 17088 CA ALA B 543 158.591 208.130 195.939 1.00 26.04 C +ATOM 17089 C ALA B 543 157.326 208.924 196.262 1.00 30.02 C +ATOM 17090 O ALA B 543 156.384 208.941 195.471 1.00 32.12 O +ATOM 17091 CB ALA B 543 158.392 206.668 196.276 1.00 32.10 C +ATOM 17092 H ALA B 543 160.064 208.156 197.261 1.00 35.78 H +ATOM 17093 HA ALA B 543 158.746 208.196 194.984 1.00 31.25 H +ATOM 17094 HB1 ALA B 543 157.616 206.337 195.798 1.00 38.52 H +ATOM 17095 HB2 ALA B 543 159.182 206.173 196.009 1.00 38.52 H +ATOM 17096 HB3 ALA B 543 158.254 206.581 197.232 1.00 38.52 H +ATOM 17097 N TYR B 544 157.314 209.587 197.417 1.00 27.48 N +ATOM 17098 CA TYR B 544 156.150 210.352 197.864 1.00 26.82 C +ATOM 17099 C TYR B 544 156.244 211.853 197.575 1.00 33.57 C +ATOM 17100 O TYR B 544 155.234 212.498 197.292 1.00 28.90 O +ATOM 17101 CB TYR B 544 155.941 210.152 199.364 1.00 27.18 C +ATOM 17102 CG TYR B 544 155.159 208.911 199.732 1.00 28.68 C +ATOM 17103 CD1 TYR B 544 155.718 207.648 199.607 1.00 24.73 C +ATOM 17104 CD2 TYR B 544 153.862 209.007 200.223 1.00 27.66 C +ATOM 17105 CE1 TYR B 544 155.009 206.518 199.950 1.00 25.16 C +ATOM 17106 CE2 TYR B 544 153.147 207.883 200.567 1.00 24.04 C +ATOM 17107 CZ TYR B 544 153.723 206.641 200.431 1.00 26.38 C +ATOM 17108 OH TYR B 544 153.013 205.515 200.775 1.00 29.81 O +ATOM 17109 H TYR B 544 157.976 209.609 197.966 1.00 32.97 H +ATOM 17110 HA TYR B 544 155.363 210.014 197.409 1.00 32.19 H +ATOM 17111 HB2 TYR B 544 156.809 210.090 199.792 1.00 32.61 H +ATOM 17112 HB3 TYR B 544 155.458 210.917 199.714 1.00 32.61 H +ATOM 17113 HD1 TYR B 544 156.585 207.562 199.283 1.00 29.67 H +ATOM 17114 HD2 TYR B 544 153.470 209.846 200.317 1.00 33.19 H +ATOM 17115 HE1 TYR B 544 155.396 205.677 199.859 1.00 30.20 H +ATOM 17116 HE2 TYR B 544 152.280 207.963 200.892 1.00 28.85 H +ATOM 17117 HH TYR B 544 153.479 204.829 200.642 1.00 35.77 H +ATOM 17118 N TRP B 545 157.447 212.412 197.655 1.00 32.45 N +ATOM 17119 CA TRP B 545 157.611 213.863 197.587 1.00 38.60 C +ATOM 17120 C TRP B 545 157.520 214.381 196.157 1.00 35.79 C +ATOM 17121 O TRP B 545 158.531 214.623 195.498 1.00 34.26 O +ATOM 17122 CB TRP B 545 158.944 214.278 198.211 1.00 33.57 C +ATOM 17123 CG TRP B 545 159.085 215.760 198.389 1.00 30.18 C +ATOM 17124 CD1 TRP B 545 159.956 216.584 197.740 1.00 32.76 C +ATOM 17125 CD2 TRP B 545 158.328 216.594 199.273 1.00 30.68 C +ATOM 17126 NE1 TRP B 545 159.792 217.877 198.168 1.00 32.44 N +ATOM 17127 CE2 TRP B 545 158.798 217.911 199.110 1.00 31.30 C +ATOM 17128 CE3 TRP B 545 157.299 216.355 200.190 1.00 29.95 C +ATOM 17129 CZ2 TRP B 545 158.276 218.985 199.827 1.00 36.26 C +ATOM 17130 CZ3 TRP B 545 156.783 217.420 200.902 1.00 29.16 C +ATOM 17131 CH2 TRP B 545 157.272 218.719 200.717 1.00 35.26 C +ATOM 17132 H TRP B 545 158.183 211.976 197.749 1.00 38.94 H +ATOM 17133 HA TRP B 545 156.902 214.281 198.099 1.00 46.32 H +ATOM 17134 HB2 TRP B 545 159.024 213.864 199.084 1.00 40.28 H +ATOM 17135 HB3 TRP B 545 159.666 213.977 197.637 1.00 40.28 H +ATOM 17136 HD1 TRP B 545 160.574 216.309 197.102 1.00 39.31 H +ATOM 17137 HE1 TRP B 545 160.240 218.556 197.889 1.00 38.93 H +ATOM 17138 HE3 TRP B 545 156.971 215.494 200.320 1.00 35.94 H +ATOM 17139 HZ2 TRP B 545 158.598 219.849 199.706 1.00 43.51 H +ATOM 17140 HZ3 TRP B 545 156.099 217.272 201.514 1.00 34.99 H +ATOM 17141 HH2 TRP B 545 156.904 219.418 201.209 1.00 42.31 H +ATOM 17142 N LYS B 546 156.291 214.565 195.693 1.00 44.40 N +ATOM 17143 CA LYS B 546 156.040 215.051 194.346 1.00 38.29 C +ATOM 17144 C LYS B 546 154.592 215.524 194.249 1.00 42.77 C +ATOM 17145 O LYS B 546 153.741 215.051 195.000 1.00 43.75 O +ATOM 17146 CB LYS B 546 156.331 213.958 193.318 1.00 32.52 C +ATOM 17147 CG LYS B 546 155.557 212.674 193.550 1.00 33.89 C +ATOM 17148 CD LYS B 546 155.932 211.583 192.554 1.00 37.31 C +ATOM 17149 CE LYS B 546 157.367 211.123 192.727 1.00 26.43 C +ATOM 17150 NZ LYS B 546 157.654 209.911 191.914 1.00 39.09 N +ATOM 17151 H LYS B 546 155.576 214.413 196.146 1.00 53.28 H +ATOM 17152 HA LYS B 546 156.622 215.806 194.163 1.00 45.95 H +ATOM 17153 HB2 LYS B 546 156.099 214.289 192.436 1.00 39.02 H +ATOM 17154 HB3 LYS B 546 157.277 213.743 193.349 1.00 39.02 H +ATOM 17155 HG2 LYS B 546 155.747 212.346 194.443 1.00 40.67 H +ATOM 17156 HG3 LYS B 546 154.608 212.855 193.456 1.00 40.67 H +ATOM 17157 HD2 LYS B 546 155.352 210.818 192.687 1.00 44.78 H +ATOM 17158 HD3 LYS B 546 155.832 211.927 191.653 1.00 44.78 H +ATOM 17159 HE2 LYS B 546 157.967 211.830 192.440 1.00 31.72 H +ATOM 17160 HE3 LYS B 546 157.524 210.908 193.660 1.00 31.72 H +ATOM 17161 HZ1 LYS B 546 158.499 209.659 192.031 1.00 46.90 H +ATOM 17162 HZ2 LYS B 546 157.117 209.245 192.162 1.00 46.90 H +ATOM 17163 HZ3 LYS B 546 157.520 210.084 191.052 1.00 46.90 H +ATOM 17164 N PRO B 547 154.309 216.470 193.336 1.00 41.64 N +ATOM 17165 CA PRO B 547 152.980 217.085 193.218 1.00 40.06 C +ATOM 17166 C PRO B 547 151.811 216.102 193.191 1.00 33.40 C +ATOM 17167 O PRO B 547 150.806 216.358 193.850 1.00 35.59 O +ATOM 17168 CB PRO B 547 153.058 217.848 191.883 1.00 44.58 C +ATOM 17169 CG PRO B 547 154.455 217.658 191.360 1.00 46.82 C +ATOM 17170 CD PRO B 547 155.290 217.142 192.471 1.00 39.57 C +ATOM 17171 HA PRO B 547 152.843 217.720 193.938 1.00 48.08 H +ATOM 17172 HB2 PRO B 547 152.411 217.478 191.263 1.00 53.49 H +ATOM 17173 HB3 PRO B 547 152.880 218.789 192.039 1.00 53.49 H +ATOM 17174 HG2 PRO B 547 154.438 217.019 190.629 1.00 56.18 H +ATOM 17175 HG3 PRO B 547 154.799 218.511 191.051 1.00 56.18 H +ATOM 17176 HD2 PRO B 547 155.941 216.505 192.138 1.00 47.48 H +ATOM 17177 HD3 PRO B 547 155.715 217.874 192.944 1.00 47.48 H +ATOM 17178 N SER B 548 151.939 215.005 192.449 1.00 38.11 N +ATOM 17179 CA SER B 548 150.826 214.076 192.257 1.00 34.27 C +ATOM 17180 C SER B 548 150.349 213.467 193.568 1.00 38.47 C +ATOM 17181 O SER B 548 149.186 213.091 193.698 1.00 34.98 O +ATOM 17182 CB SER B 548 151.221 212.960 191.287 1.00 33.14 C +ATOM 17183 OG SER B 548 152.411 212.315 191.699 1.00 39.16 O +ATOM 17184 H SER B 548 152.662 214.774 192.045 1.00 45.73 H +ATOM 17185 HA SER B 548 150.081 214.559 191.866 1.00 41.13 H +ATOM 17186 HB2 SER B 548 150.505 212.307 191.253 1.00 39.77 H +ATOM 17187 HB3 SER B 548 151.360 213.344 190.407 1.00 39.77 H +ATOM 17188 HG SER B 548 153.041 212.869 191.732 1.00 47.00 H +ATOM 17189 N THR B 549 151.254 213.371 194.535 1.00 38.28 N +ATOM 17190 CA THR B 549 150.927 212.822 195.845 1.00 38.46 C +ATOM 17191 C THR B 549 149.890 213.684 196.559 1.00 35.60 C +ATOM 17192 O THR B 549 149.067 213.176 197.321 1.00 26.28 O +ATOM 17193 CB THR B 549 152.193 212.701 196.724 1.00 35.07 C +ATOM 17194 OG1 THR B 549 153.090 211.754 196.136 1.00 31.99 O +ATOM 17195 CG2 THR B 549 151.853 212.250 198.139 1.00 33.04 C +ATOM 17196 H THR B 549 152.073 213.621 194.456 1.00 45.93 H +ATOM 17197 HA THR B 549 150.554 211.934 195.732 1.00 46.16 H +ATOM 17198 HB THR B 549 152.630 213.566 196.777 1.00 42.09 H +ATOM 17199 HG1 THR B 549 153.781 211.682 196.608 1.00 38.39 H +ATOM 17200 HG21 THR B 549 152.663 212.183 198.669 1.00 39.65 H +ATOM 17201 HG22 THR B 549 151.256 212.890 198.557 1.00 39.65 H +ATOM 17202 HG23 THR B 549 151.420 211.383 198.115 1.00 39.65 H +ATOM 17203 N PHE B 550 149.928 214.986 196.294 1.00 33.75 N +ATOM 17204 CA PHE B 550 149.105 215.948 197.018 1.00 32.71 C +ATOM 17205 C PHE B 550 148.040 216.587 196.133 1.00 30.99 C +ATOM 17206 O PHE B 550 147.544 217.669 196.436 1.00 39.09 O +ATOM 17207 CB PHE B 550 149.995 217.027 197.628 1.00 39.88 C +ATOM 17208 CG PHE B 550 151.160 216.478 198.397 1.00 44.39 C +ATOM 17209 CD1 PHE B 550 150.998 216.017 199.692 1.00 38.65 C +ATOM 17210 CD2 PHE B 550 152.418 216.415 197.821 1.00 42.02 C +ATOM 17211 CE1 PHE B 550 152.069 215.508 200.398 1.00 38.64 C +ATOM 17212 CE2 PHE B 550 153.490 215.909 198.524 1.00 41.65 C +ATOM 17213 CZ PHE B 550 153.315 215.455 199.812 1.00 43.82 C +ATOM 17214 H PHE B 550 150.429 215.341 195.692 1.00 40.50 H +ATOM 17215 HA PHE B 550 148.653 215.490 197.743 1.00 39.25 H +ATOM 17216 HB2 PHE B 550 150.344 217.585 196.916 1.00 47.86 H +ATOM 17217 HB3 PHE B 550 149.463 217.564 198.237 1.00 47.86 H +ATOM 17218 HD1 PHE B 550 150.158 216.051 200.090 1.00 46.38 H +ATOM 17219 HD2 PHE B 550 152.541 216.721 196.952 1.00 50.43 H +ATOM 17220 HE1 PHE B 550 151.949 215.202 201.268 1.00 46.37 H +ATOM 17221 HE2 PHE B 550 154.330 215.873 198.127 1.00 49.98 H +ATOM 17222 HZ PHE B 550 154.038 215.112 200.287 1.00 52.59 H +ATOM 17223 N GLY B 551 147.690 215.916 195.042 1.00 37.03 N +ATOM 17224 CA GLY B 551 146.601 216.360 194.192 1.00 37.98 C +ATOM 17225 C GLY B 551 147.001 217.414 193.178 1.00 39.60 C +ATOM 17226 O GLY B 551 146.141 218.078 192.604 1.00 47.31 O +ATOM 17227 H GLY B 551 148.073 215.194 194.773 1.00 44.43 H +ATOM 17228 HA2 GLY B 551 146.243 215.598 193.710 1.00 45.57 H +ATOM 17229 HA3 GLY B 551 145.895 216.727 194.746 1.00 45.57 H +ATOM 17230 N GLY B 552 148.304 217.564 192.957 1.00 34.85 N +ATOM 17231 CA GLY B 552 148.817 218.510 191.980 1.00 31.67 C +ATOM 17232 C GLY B 552 149.620 219.631 192.609 1.00 34.80 C +ATOM 17233 O GLY B 552 149.916 219.608 193.801 1.00 37.13 O +ATOM 17234 H GLY B 552 148.916 217.123 193.368 1.00 41.81 H +ATOM 17235 HA2 GLY B 552 149.386 218.043 191.350 1.00 38.00 H +ATOM 17236 HA3 GLY B 552 148.076 218.901 191.492 1.00 38.00 H +ATOM 17237 N GLU B 553 149.968 220.621 191.796 1.00 41.02 N +ATOM 17238 CA GLU B 553 150.822 221.718 192.235 1.00 40.36 C +ATOM 17239 C GLU B 553 150.157 222.600 193.284 1.00 36.40 C +ATOM 17240 O GLU B 553 150.831 223.132 194.165 1.00 42.39 O +ATOM 17241 CB GLU B 553 151.236 222.577 191.037 1.00 39.71 C +ATOM 17242 CG GLU B 553 152.205 221.898 190.085 1.00 43.98 C +ATOM 17243 CD GLU B 553 153.541 221.573 190.729 1.00 76.94 C +ATOM 17244 OE1 GLU B 553 153.812 222.067 191.846 1.00 54.28 O +ATOM 17245 OE2 GLU B 553 154.323 220.822 190.111 1.00 73.96 O +ATOM 17246 H GLU B 553 149.719 220.681 190.975 1.00 49.22 H +ATOM 17247 HA GLU B 553 151.628 221.347 192.627 1.00 48.43 H +ATOM 17248 HB2 GLU B 553 150.441 222.810 190.532 1.00 47.66 H +ATOM 17249 HB3 GLU B 553 151.662 223.384 191.366 1.00 47.66 H +ATOM 17250 HG2 GLU B 553 151.812 221.066 189.776 1.00 52.78 H +ATOM 17251 HG3 GLU B 553 152.370 222.486 189.332 1.00 52.78 H +ATOM 17252 N VAL B 554 148.843 222.766 193.181 1.00 34.05 N +ATOM 17253 CA VAL B 554 148.103 223.587 194.129 1.00 44.28 C +ATOM 17254 C VAL B 554 148.220 223.015 195.539 1.00 39.64 C +ATOM 17255 O VAL B 554 148.481 223.748 196.491 1.00 40.36 O +ATOM 17256 CB VAL B 554 146.617 223.702 193.733 1.00 44.10 C +ATOM 17257 CG1 VAL B 554 145.815 224.441 194.805 1.00 40.92 C +ATOM 17258 CG2 VAL B 554 146.491 224.415 192.399 1.00 46.76 C +ATOM 17259 H VAL B 554 148.355 222.411 192.568 1.00 40.86 H +ATOM 17260 HA VAL B 554 148.482 224.480 194.136 1.00 53.14 H +ATOM 17261 HB VAL B 554 146.243 222.812 193.636 1.00 52.93 H +ATOM 17262 HG11 VAL B 554 144.888 224.495 194.524 1.00 49.10 H +ATOM 17263 HG12 VAL B 554 145.880 223.952 195.640 1.00 49.10 H +ATOM 17264 HG13 VAL B 554 146.181 225.333 194.913 1.00 49.10 H +ATOM 17265 HG21 VAL B 554 145.553 224.480 192.164 1.00 56.11 H +ATOM 17266 HG22 VAL B 554 146.875 225.302 192.479 1.00 56.11 H +ATOM 17267 HG23 VAL B 554 146.968 223.907 191.724 1.00 56.11 H +ATOM 17268 N GLY B 555 148.025 221.707 195.666 1.00 42.08 N +ATOM 17269 CA GLY B 555 148.127 221.045 196.953 1.00 35.17 C +ATOM 17270 C GLY B 555 149.556 221.020 197.453 1.00 36.65 C +ATOM 17271 O GLY B 555 149.817 221.239 198.635 1.00 32.03 O +ATOM 17272 H GLY B 555 147.831 221.180 195.015 1.00 50.49 H +ATOM 17273 HA2 GLY B 555 147.578 221.510 197.604 1.00 42.21 H +ATOM 17274 HA3 GLY B 555 147.809 220.132 196.876 1.00 42.21 H +ATOM 17275 N PHE B 556 150.485 220.751 196.542 1.00 30.48 N +ATOM 17276 CA PHE B 556 151.902 220.698 196.876 1.00 38.78 C +ATOM 17277 C PHE B 556 152.376 222.042 197.417 1.00 36.77 C +ATOM 17278 O PHE B 556 153.286 222.106 198.243 1.00 38.44 O +ATOM 17279 CB PHE B 556 152.717 220.303 195.639 1.00 42.71 C +ATOM 17280 CG PHE B 556 154.099 219.776 195.939 1.00 44.00 C +ATOM 17281 CD1 PHE B 556 154.367 219.075 197.104 1.00 53.71 C +ATOM 17282 CD2 PHE B 556 155.131 219.976 195.037 1.00 56.46 C +ATOM 17283 CE1 PHE B 556 155.639 218.589 197.364 1.00 47.40 C +ATOM 17284 CE2 PHE B 556 156.404 219.495 195.291 1.00 48.20 C +ATOM 17285 CZ PHE B 556 156.657 218.799 196.455 1.00 45.97 C +ATOM 17286 H PHE B 556 150.317 220.595 195.713 1.00 36.58 H +ATOM 17287 HA PHE B 556 152.044 220.026 197.562 1.00 46.54 H +ATOM 17288 HB2 PHE B 556 152.237 219.611 195.159 1.00 51.25 H +ATOM 17289 HB3 PHE B 556 152.817 221.084 195.072 1.00 51.25 H +ATOM 17290 HD1 PHE B 556 153.686 218.929 197.719 1.00 64.45 H +ATOM 17291 HD2 PHE B 556 154.967 220.443 194.249 1.00 67.75 H +ATOM 17292 HE1 PHE B 556 155.807 218.122 198.150 1.00 56.88 H +ATOM 17293 HE2 PHE B 556 157.087 219.639 194.677 1.00 57.84 H +ATOM 17294 HZ PHE B 556 157.512 218.476 196.629 1.00 55.17 H +ATOM 17295 N GLN B 557 151.748 223.113 196.945 1.00 42.53 N +ATOM 17296 CA GLN B 557 152.136 224.466 197.320 1.00 47.63 C +ATOM 17297 C GLN B 557 151.600 224.842 198.698 1.00 39.25 C +ATOM 17298 O GLN B 557 152.213 225.638 199.407 1.00 37.80 O +ATOM 17299 CB GLN B 557 151.650 225.463 196.263 1.00 51.12 C +ATOM 17300 CG GLN B 557 151.831 226.930 196.637 1.00 62.05 C +ATOM 17301 CD GLN B 557 152.489 227.735 195.539 1.00100.83 C +ATOM 17302 OE1 GLN B 557 151.817 228.370 194.724 1.00115.69 O +ATOM 17303 NE2 GLN B 557 153.818 227.718 195.515 1.00 81.62 N +ATOM 17304 H GLN B 557 151.085 223.081 196.399 1.00 51.04 H +ATOM 17305 HA GLN B 557 153.104 224.516 197.354 1.00 57.16 H +ATOM 17306 HB2 GLN B 557 152.143 225.307 195.442 1.00 61.34 H +ATOM 17307 HB3 GLN B 557 150.704 225.314 196.109 1.00 61.34 H +ATOM 17308 HG2 GLN B 557 150.960 227.321 196.814 1.00 74.47 H +ATOM 17309 HG3 GLN B 557 152.389 226.989 197.428 1.00 74.47 H +ATOM 17310 HE21 GLN B 557 154.253 227.266 196.103 1.00 97.95 H +ATOM 17311 HE22 GLN B 557 154.242 228.159 194.911 1.00 97.95 H +ATOM 17312 N ILE B 558 150.466 224.267 199.083 1.00 39.47 N +ATOM 17313 CA ILE B 558 149.923 224.501 200.416 1.00 39.78 C +ATOM 17314 C ILE B 558 150.938 224.065 201.472 1.00 43.90 C +ATOM 17315 O ILE B 558 151.076 224.711 202.511 1.00 38.51 O +ATOM 17316 CB ILE B 558 148.585 223.759 200.630 1.00 40.91 C +ATOM 17317 CG1 ILE B 558 147.499 224.379 199.740 1.00 40.80 C +ATOM 17318 CG2 ILE B 558 148.164 223.814 202.103 1.00 32.38 C +ATOM 17319 CD1 ILE B 558 146.123 223.743 199.867 1.00 29.13 C +ATOM 17320 H ILE B 558 149.994 223.739 198.594 1.00 47.36 H +ATOM 17321 HA ILE B 558 149.761 225.451 200.528 1.00 47.74 H +ATOM 17322 HB ILE B 558 148.701 222.831 200.375 1.00 49.09 H +ATOM 17323 HG12 ILE B 558 147.409 225.317 199.971 1.00 48.96 H +ATOM 17324 HG13 ILE B 558 147.775 224.297 198.814 1.00 48.96 H +ATOM 17325 HG21 ILE B 558 147.323 223.342 202.209 1.00 38.85 H +ATOM 17326 HG22 ILE B 558 148.851 223.392 202.643 1.00 38.85 H +ATOM 17327 HG23 ILE B 558 148.059 224.741 202.367 1.00 38.85 H +ATOM 17328 HD11 ILE B 558 145.509 224.199 199.271 1.00 34.95 H +ATOM 17329 HD12 ILE B 558 146.186 222.806 199.625 1.00 34.95 H +ATOM 17330 HD13 ILE B 558 145.820 223.829 200.784 1.00 34.95 H +ATOM 17331 N ILE B 559 151.649 222.975 201.199 1.00 40.77 N +ATOM 17332 CA ILE B 559 152.685 222.494 202.106 1.00 42.46 C +ATOM 17333 C ILE B 559 153.860 223.460 202.134 1.00 34.43 C +ATOM 17334 O ILE B 559 154.302 223.891 203.196 1.00 31.96 O +ATOM 17335 CB ILE B 559 153.204 221.093 201.695 1.00 36.46 C +ATOM 17336 CG1 ILE B 559 152.124 220.033 201.911 1.00 32.51 C +ATOM 17337 CG2 ILE B 559 154.466 220.722 202.489 1.00 34.84 C +ATOM 17338 CD1 ILE B 559 152.463 218.685 201.312 1.00 39.09 C +ATOM 17339 H ILE B 559 151.550 222.495 200.493 1.00 48.93 H +ATOM 17340 HA ILE B 559 152.321 222.431 203.002 1.00 50.95 H +ATOM 17341 HB ILE B 559 153.430 221.114 200.752 1.00 43.75 H +ATOM 17342 HG12 ILE B 559 151.993 219.910 202.865 1.00 39.01 H +ATOM 17343 HG13 ILE B 559 151.299 220.340 201.504 1.00 39.01 H +ATOM 17344 HG21 ILE B 559 154.766 219.842 202.210 1.00 41.81 H +ATOM 17345 HG22 ILE B 559 155.156 221.379 202.310 1.00 41.81 H +ATOM 17346 HG23 ILE B 559 154.252 220.715 203.435 1.00 41.81 H +ATOM 17347 HD11 ILE B 559 151.734 218.069 201.490 1.00 46.91 H +ATOM 17348 HD12 ILE B 559 152.585 218.787 200.356 1.00 46.91 H +ATOM 17349 HD13 ILE B 559 153.280 218.356 201.718 1.00 46.91 H +ATOM 17350 N ASN B 560 154.359 223.793 200.954 1.00 34.52 N +ATOM 17351 CA ASN B 560 155.627 224.495 200.831 1.00 36.82 C +ATOM 17352 C ASN B 560 155.543 225.991 201.118 1.00 36.63 C +ATOM 17353 O ASN B 560 156.566 226.665 201.175 1.00 41.52 O +ATOM 17354 CB ASN B 560 156.196 224.262 199.433 1.00 29.53 C +ATOM 17355 CG ASN B 560 156.708 222.845 199.249 1.00 39.40 C +ATOM 17356 OD1 ASN B 560 157.414 222.314 200.107 1.00 38.87 O +ATOM 17357 ND2 ASN B 560 156.342 222.218 198.135 1.00 40.89 N +ATOM 17358 H ASN B 560 153.980 223.621 200.201 1.00 41.43 H +ATOM 17359 HA ASN B 560 156.251 224.113 201.467 1.00 44.18 H +ATOM 17360 HB2 ASN B 560 155.500 224.419 198.776 1.00 35.44 H +ATOM 17361 HB3 ASN B 560 156.937 224.872 199.286 1.00 35.44 H +ATOM 17362 HD21 ASN B 560 156.607 221.414 197.987 1.00 49.07 H +ATOM 17363 HD22 ASN B 560 155.840 222.618 197.562 1.00 49.07 H +ATOM 17364 N THR B 561 154.330 226.503 201.306 1.00 39.02 N +ATOM 17365 CA THR B 561 154.133 227.908 201.655 1.00 44.13 C +ATOM 17366 C THR B 561 153.458 228.041 203.016 1.00 35.74 C +ATOM 17367 O THR B 561 152.989 229.119 203.382 1.00 36.07 O +ATOM 17368 CB THR B 561 153.283 228.645 200.600 1.00 43.95 C +ATOM 17369 OG1 THR B 561 151.947 228.122 200.602 1.00 44.44 O +ATOM 17370 CG2 THR B 561 153.894 228.485 199.217 1.00 45.27 C +ATOM 17371 H THR B 561 153.599 226.055 201.237 1.00 46.82 H +ATOM 17372 HA THR B 561 154.997 228.346 201.704 1.00 52.96 H +ATOM 17373 HB THR B 561 153.257 229.591 200.814 1.00 52.74 H +ATOM 17374 HG1 THR B 561 151.959 227.302 200.421 1.00 53.33 H +ATOM 17375 HG21 THR B 561 153.353 228.951 198.560 1.00 54.32 H +ATOM 17376 HG22 THR B 561 154.791 228.854 199.206 1.00 54.32 H +ATOM 17377 HG23 THR B 561 153.937 227.545 198.980 1.00 54.32 H +ATOM 17378 N ALA B 562 153.417 226.945 203.766 1.00 30.80 N +ATOM 17379 CA ALA B 562 152.758 226.934 205.064 1.00 33.58 C +ATOM 17380 C ALA B 562 153.619 227.592 206.134 1.00 32.66 C +ATOM 17381 O ALA B 562 154.840 227.453 206.145 1.00 31.05 O +ATOM 17382 CB ALA B 562 152.418 225.510 205.473 1.00 33.79 C +ATOM 17383 H ALA B 562 153.766 226.192 203.543 1.00 36.96 H +ATOM 17384 HA ALA B 562 151.928 227.432 205.000 1.00 40.30 H +ATOM 17385 HB1 ALA B 562 151.981 225.526 206.339 1.00 40.54 H +ATOM 17386 HB2 ALA B 562 151.825 225.125 204.809 1.00 40.54 H +ATOM 17387 HB3 ALA B 562 153.237 224.993 205.525 1.00 40.54 H +ATOM 17388 N SER B 563 152.960 228.317 207.028 1.00 30.24 N +ATOM 17389 CA SER B 563 153.604 228.889 208.201 1.00 28.41 C +ATOM 17390 C SER B 563 152.576 228.931 209.318 1.00 32.53 C +ATOM 17391 O SER B 563 151.387 228.735 209.071 1.00 28.40 O +ATOM 17392 CB SER B 563 154.153 230.286 207.909 1.00 36.40 C +ATOM 17393 OG SER B 563 153.108 231.197 207.614 1.00 37.44 O +ATOM 17394 H SER B 563 152.120 228.496 206.975 1.00 36.29 H +ATOM 17395 HA SER B 563 154.339 228.320 208.478 1.00 34.09 H +ATOM 17396 HB2 SER B 563 154.636 230.603 208.688 1.00 43.68 H +ATOM 17397 HB3 SER B 563 154.751 230.235 207.147 1.00 43.68 H +ATOM 17398 HG SER B 563 153.427 231.958 207.457 1.00 44.93 H +ATOM 17399 N ILE B 564 153.021 229.175 210.544 1.00 27.09 N +ATOM 17400 CA ILE B 564 152.091 229.265 211.658 1.00 27.66 C +ATOM 17401 C ILE B 564 151.167 230.468 211.462 1.00 40.09 C +ATOM 17402 O ILE B 564 150.013 230.443 211.883 1.00 43.38 O +ATOM 17403 CB ILE B 564 152.825 229.373 213.016 1.00 31.48 C +ATOM 17404 CG1 ILE B 564 151.831 229.317 214.180 1.00 26.91 C +ATOM 17405 CG2 ILE B 564 153.668 230.644 213.087 1.00 36.08 C +ATOM 17406 CD1 ILE B 564 151.115 227.991 214.318 1.00 34.41 C +ATOM 17407 H ILE B 564 153.847 229.289 210.756 1.00 32.51 H +ATOM 17408 HA ILE B 564 151.542 228.466 211.676 1.00 33.19 H +ATOM 17409 HB ILE B 564 153.422 228.612 213.095 1.00 37.78 H +ATOM 17410 HG12 ILE B 564 152.310 229.482 215.007 1.00 32.29 H +ATOM 17411 HG13 ILE B 564 151.159 230.004 214.048 1.00 32.29 H +ATOM 17412 HG21 ILE B 564 154.113 230.679 213.948 1.00 43.30 H +ATOM 17413 HG22 ILE B 564 154.326 230.626 212.374 1.00 43.30 H +ATOM 17414 HG23 ILE B 564 153.087 231.413 212.982 1.00 43.30 H +ATOM 17415 HD11 ILE B 564 150.508 228.037 215.073 1.00 41.29 H +ATOM 17416 HD12 ILE B 564 150.619 227.814 213.504 1.00 41.29 H +ATOM 17417 HD13 ILE B 564 151.772 227.292 214.464 1.00 41.29 H +ATOM 17418 N GLN B 565 151.673 231.511 210.810 1.00 40.79 N +ATOM 17419 CA GLN B 565 150.878 232.709 210.555 1.00 43.25 C +ATOM 17420 C GLN B 565 149.782 232.447 209.525 1.00 37.94 C +ATOM 17421 O GLN B 565 148.641 232.862 209.713 1.00 29.66 O +ATOM 17422 CB GLN B 565 151.774 233.859 210.085 1.00 40.25 C +ATOM 17423 CG GLN B 565 151.024 235.109 209.624 1.00 50.72 C +ATOM 17424 CD GLN B 565 150.184 235.744 210.720 1.00 54.53 C +ATOM 17425 OE1 GLN B 565 150.656 236.614 211.452 1.00 52.52 O +ATOM 17426 NE2 GLN B 565 148.929 235.321 210.828 1.00 54.95 N +ATOM 17427 H GLN B 565 152.476 231.550 210.504 1.00 48.95 H +ATOM 17428 HA GLN B 565 150.451 232.984 211.381 1.00 51.89 H +ATOM 17429 HB2 GLN B 565 152.354 234.118 210.818 1.00 48.30 H +ATOM 17430 HB3 GLN B 565 152.311 233.547 209.339 1.00 48.30 H +ATOM 17431 HG2 GLN B 565 151.668 235.769 209.322 1.00 60.86 H +ATOM 17432 HG3 GLN B 565 150.431 234.869 208.895 1.00 60.86 H +ATOM 17433 HE21 GLN B 565 148.631 234.717 210.294 1.00 65.94 H +ATOM 17434 HE22 GLN B 565 148.415 235.651 211.434 1.00 65.94 H +ATOM 17435 N SER B 566 150.127 231.761 208.440 1.00 33.72 N +ATOM 17436 CA SER B 566 149.162 231.481 207.382 1.00 38.96 C +ATOM 17437 C SER B 566 148.131 230.449 207.837 1.00 40.63 C +ATOM 17438 O SER B 566 147.001 230.447 207.355 1.00 44.44 O +ATOM 17439 CB SER B 566 149.867 230.991 206.116 1.00 38.15 C +ATOM 17440 OG SER B 566 150.243 229.632 206.231 1.00 50.78 O +ATOM 17441 H SER B 566 150.914 231.447 208.291 1.00 40.46 H +ATOM 17442 HA SER B 566 148.689 232.299 207.163 1.00 46.76 H +ATOM 17443 HB2 SER B 566 149.264 231.088 205.362 1.00 45.78 H +ATOM 17444 HB3 SER B 566 150.663 231.527 205.973 1.00 45.78 H +ATOM 17445 HG SER B 566 150.628 229.380 205.529 1.00 60.94 H +ATOM 17446 N LEU B 567 148.527 229.571 208.753 1.00 45.90 N +ATOM 17447 CA LEU B 567 147.602 228.601 209.333 1.00 37.79 C +ATOM 17448 C LEU B 567 146.500 229.333 210.080 1.00 39.85 C +ATOM 17449 O LEU B 567 145.317 229.032 209.924 1.00 36.24 O +ATOM 17450 CB LEU B 567 148.332 227.644 210.279 1.00 39.09 C +ATOM 17451 CG LEU B 567 147.460 226.622 211.017 1.00 39.35 C +ATOM 17452 CD1 LEU B 567 146.908 225.571 210.062 1.00 30.72 C +ATOM 17453 CD2 LEU B 567 148.240 225.964 212.142 1.00 39.72 C +ATOM 17454 H LEU B 567 149.330 229.516 209.057 1.00 55.08 H +ATOM 17455 HA LEU B 567 147.197 228.079 208.623 1.00 45.35 H +ATOM 17456 HB2 LEU B 567 148.985 227.146 209.763 1.00 46.91 H +ATOM 17457 HB3 LEU B 567 148.789 228.172 210.952 1.00 46.91 H +ATOM 17458 HG LEU B 567 146.706 227.085 211.413 1.00 47.22 H +ATOM 17459 HD11 LEU B 567 146.364 224.944 210.563 1.00 36.87 H +ATOM 17460 HD12 LEU B 567 146.368 226.012 209.387 1.00 36.87 H +ATOM 17461 HD13 LEU B 567 147.648 225.106 209.643 1.00 36.87 H +ATOM 17462 HD21 LEU B 567 147.666 225.323 212.591 1.00 47.66 H +ATOM 17463 HD22 LEU B 567 149.012 225.511 211.768 1.00 47.66 H +ATOM 17464 HD23 LEU B 567 148.527 226.647 212.768 1.00 47.66 H +ATOM 17465 N ILE B 568 146.906 230.296 210.899 1.00 40.84 N +ATOM 17466 CA ILE B 568 145.966 231.107 211.656 1.00 46.62 C +ATOM 17467 C ILE B 568 145.187 232.014 210.711 1.00 43.55 C +ATOM 17468 O ILE B 568 143.974 232.163 210.839 1.00 38.81 O +ATOM 17469 CB ILE B 568 146.703 231.937 212.737 1.00 35.36 C +ATOM 17470 CG1 ILE B 568 146.760 231.150 214.049 1.00 35.79 C +ATOM 17471 CG2 ILE B 568 146.016 233.282 212.992 1.00 79.42 C +ATOM 17472 CD1 ILE B 568 147.407 229.780 213.932 1.00 42.34 C +ATOM 17473 H ILE B 568 147.730 230.500 211.033 1.00 49.01 H +ATOM 17474 HA ILE B 568 145.333 230.524 212.104 1.00 55.94 H +ATOM 17475 HB ILE B 568 147.610 232.104 212.436 1.00 42.43 H +ATOM 17476 HG12 ILE B 568 147.271 231.663 214.696 1.00 42.95 H +ATOM 17477 HG13 ILE B 568 145.856 231.022 214.374 1.00 42.95 H +ATOM 17478 HG21 ILE B 568 146.511 233.764 213.673 1.00 95.30 H +ATOM 17479 HG22 ILE B 568 146.006 233.792 212.167 1.00 95.30 H +ATOM 17480 HG23 ILE B 568 145.109 233.121 213.294 1.00 95.30 H +ATOM 17481 HD11 ILE B 568 147.402 229.354 214.804 1.00 50.80 H +ATOM 17482 HD12 ILE B 568 146.902 229.246 213.299 1.00 50.80 H +ATOM 17483 HD13 ILE B 568 148.320 229.888 213.622 1.00 50.80 H +ATOM 17484 N CYS B 569 145.890 232.599 209.749 1.00 43.08 N +ATOM 17485 CA CYS B 569 145.286 233.556 208.830 1.00 44.39 C +ATOM 17486 C CYS B 569 144.161 232.932 208.008 1.00 46.67 C +ATOM 17487 O CYS B 569 143.130 233.562 207.773 1.00 53.42 O +ATOM 17488 CB CYS B 569 146.347 234.134 207.895 1.00 40.06 C +ATOM 17489 SG CYS B 569 145.778 235.553 206.944 1.00 55.69 S +ATOM 17490 H CYS B 569 146.726 232.458 209.605 1.00 51.70 H +ATOM 17491 HA CYS B 569 144.909 234.288 209.343 1.00 53.26 H +ATOM 17492 HB2 CYS B 569 147.109 234.418 208.424 1.00 48.07 H +ATOM 17493 HB3 CYS B 569 146.620 233.447 207.267 1.00 48.07 H +ATOM 17494 N ASN B 570 144.359 231.691 207.576 1.00 41.76 N +ATOM 17495 CA ASN B 570 143.385 231.015 206.727 1.00 42.08 C +ATOM 17496 C ASN B 570 142.173 230.485 207.489 1.00 40.54 C +ATOM 17497 O ASN B 570 141.107 230.300 206.904 1.00 43.62 O +ATOM 17498 CB ASN B 570 144.047 229.856 205.979 1.00 42.99 C +ATOM 17499 CG ASN B 570 144.940 230.319 204.844 1.00 35.80 C +ATOM 17500 OD1 ASN B 570 144.743 231.395 204.284 1.00 61.06 O +ATOM 17501 ND2 ASN B 570 145.925 229.500 204.494 1.00 39.65 N +ATOM 17502 H ASN B 570 145.053 231.217 207.761 1.00 50.11 H +ATOM 17503 HA ASN B 570 143.061 231.646 206.065 1.00 50.49 H +ATOM 17504 HB2 ASN B 570 144.591 229.349 206.601 1.00 51.58 H +ATOM 17505 HB3 ASN B 570 143.356 229.287 205.603 1.00 51.58 H +ATOM 17506 HD21 ASN B 570 146.459 229.718 203.856 1.00 47.58 H +ATOM 17507 HD22 ASN B 570 146.029 228.752 204.905 1.00 47.58 H +ATOM 17508 N ASN B 571 142.331 230.251 208.789 1.00 35.99 N +ATOM 17509 CA ASN B 571 141.312 229.548 209.567 1.00 37.17 C +ATOM 17510 C ASN B 571 140.791 230.301 210.790 1.00 36.68 C +ATOM 17511 O ASN B 571 139.858 229.838 211.445 1.00 42.23 O +ATOM 17512 CB ASN B 571 141.859 228.195 210.016 1.00 35.29 C +ATOM 17513 CG ASN B 571 142.243 227.312 208.849 1.00 37.38 C +ATOM 17514 OD1 ASN B 571 141.381 226.796 208.138 1.00 36.48 O +ATOM 17515 ND2 ASN B 571 143.542 227.134 208.643 1.00 31.19 N +ATOM 17516 H ASN B 571 143.021 230.488 209.245 1.00 43.18 H +ATOM 17517 HA ASN B 571 140.552 229.377 208.989 1.00 44.60 H +ATOM 17518 HB2 ASN B 571 142.651 228.337 210.559 1.00 42.35 H +ATOM 17519 HB3 ASN B 571 141.180 227.733 210.533 1.00 42.35 H +ATOM 17520 HD21 ASN B 571 143.811 226.641 207.992 1.00 37.43 H +ATOM 17521 HD22 ASN B 571 144.115 227.513 209.161 1.00 37.43 H +ATOM 17522 N VAL B 572 141.383 231.450 211.098 1.00 38.69 N +ATOM 17523 CA VAL B 572 140.946 232.246 212.242 1.00 48.27 C +ATOM 17524 C VAL B 572 140.318 233.555 211.770 1.00 52.87 C +ATOM 17525 O VAL B 572 140.858 234.249 210.908 1.00 45.87 O +ATOM 17526 CB VAL B 572 142.110 232.538 213.211 1.00 41.38 C +ATOM 17527 CG1 VAL B 572 141.623 233.324 214.416 1.00 41.34 C +ATOM 17528 CG2 VAL B 572 142.753 231.234 213.663 1.00 37.91 C +ATOM 17529 H VAL B 572 142.040 231.792 210.661 1.00 46.43 H +ATOM 17530 HA VAL B 572 140.270 231.751 212.730 1.00 57.92 H +ATOM 17531 HB VAL B 572 142.783 233.067 212.754 1.00 49.66 H +ATOM 17532 HG11 VAL B 572 142.374 233.494 215.007 1.00 49.61 H +ATOM 17533 HG12 VAL B 572 141.244 234.164 214.113 1.00 49.61 H +ATOM 17534 HG13 VAL B 572 140.948 232.805 214.879 1.00 49.61 H +ATOM 17535 HG21 VAL B 572 143.482 231.436 214.270 1.00 45.50 H +ATOM 17536 HG22 VAL B 572 142.086 230.693 214.114 1.00 45.50 H +ATOM 17537 HG23 VAL B 572 143.091 230.763 212.885 1.00 45.50 H +ATOM 17538 N LYS B 573 139.163 233.868 212.344 1.00 54.71 N +ATOM 17539 CA LYS B 573 138.400 235.061 211.995 1.00 54.99 C +ATOM 17540 C LYS B 573 139.220 236.325 212.237 1.00 51.57 C +ATOM 17541 O LYS B 573 139.763 236.521 213.324 1.00 50.01 O +ATOM 17542 CB LYS B 573 137.105 235.094 212.813 1.00 58.35 C +ATOM 17543 CG LYS B 573 136.075 236.119 212.386 1.00 54.83 C +ATOM 17544 CD LYS B 573 134.949 236.159 213.413 1.00 66.29 C +ATOM 17545 CE LYS B 573 133.848 237.131 213.036 1.00 81.31 C +ATOM 17546 NZ LYS B 573 132.824 237.225 214.116 1.00 68.87 N +ATOM 17547 H LYS B 573 138.790 233.392 212.955 1.00 65.65 H +ATOM 17548 HA LYS B 573 138.165 235.026 211.055 1.00 65.99 H +ATOM 17549 HB2 LYS B 573 136.686 234.221 212.755 1.00 70.02 H +ATOM 17550 HB3 LYS B 573 137.333 235.281 213.737 1.00 70.02 H +ATOM 17551 HG2 LYS B 573 136.486 236.996 212.341 1.00 65.79 H +ATOM 17552 HG3 LYS B 573 135.703 235.869 211.526 1.00 65.79 H +ATOM 17553 HD2 LYS B 573 134.556 235.275 213.486 1.00 79.54 H +ATOM 17554 HD3 LYS B 573 135.312 236.434 214.269 1.00 79.54 H +ATOM 17555 HE2 LYS B 573 134.230 238.013 212.900 1.00 97.57 H +ATOM 17556 HE3 LYS B 573 133.411 236.824 212.226 1.00 97.57 H +ATOM 17557 HZ1 LYS B 573 132.185 237.798 213.881 1.00 82.64 H +ATOM 17558 HZ2 LYS B 573 132.457 236.426 214.258 1.00 82.64 H +ATOM 17559 HZ3 LYS B 573 133.202 237.507 214.871 1.00 82.64 H +ATOM 17560 N GLY B 574 139.315 237.169 211.213 1.00 45.92 N +ATOM 17561 CA GLY B 574 140.031 238.429 211.317 1.00 51.64 C +ATOM 17562 C GLY B 574 141.482 238.349 210.877 1.00 49.72 C +ATOM 17563 O GLY B 574 142.108 239.377 210.623 1.00 47.96 O +ATOM 17564 H GLY B 574 138.968 237.030 210.439 1.00 55.10 H +ATOM 17565 HA2 GLY B 574 139.586 239.094 210.769 1.00 61.97 H +ATOM 17566 HA3 GLY B 574 140.011 238.732 212.238 1.00 61.97 H +ATOM 17567 N CYS B 575 142.013 237.132 210.790 1.00 60.38 N +ATOM 17568 CA CYS B 575 143.403 236.909 210.394 1.00 49.50 C +ATOM 17569 C CYS B 575 144.361 237.660 211.316 1.00 44.52 C +ATOM 17570 O CYS B 575 145.163 238.472 210.858 1.00 47.03 O +ATOM 17571 CB CYS B 575 143.621 237.337 208.938 1.00 48.38 C +ATOM 17572 SG CYS B 575 145.278 237.010 208.272 1.00 45.83 S +ATOM 17573 H CYS B 575 141.582 236.407 210.957 1.00 72.46 H +ATOM 17574 HA CYS B 575 143.603 235.962 210.461 1.00 59.40 H +ATOM 17575 HB2 CYS B 575 142.984 236.865 208.380 1.00 58.05 H +ATOM 17576 HB3 CYS B 575 143.464 238.292 208.872 1.00 58.05 H +ATOM 17577 N PRO B 576 144.282 237.389 212.627 1.00 38.34 N +ATOM 17578 CA PRO B 576 145.127 238.113 213.580 1.00 44.99 C +ATOM 17579 C PRO B 576 146.606 237.822 213.376 1.00 52.12 C +ATOM 17580 O PRO B 576 146.956 236.766 212.850 1.00 53.12 O +ATOM 17581 CB PRO B 576 144.654 237.586 214.937 1.00 44.33 C +ATOM 17582 CG PRO B 576 144.129 236.231 214.644 1.00 42.25 C +ATOM 17583 CD PRO B 576 143.498 236.331 213.284 1.00 42.06 C +ATOM 17584 HA PRO B 576 144.968 239.068 213.525 1.00 53.99 H +ATOM 17585 HB2 PRO B 576 145.404 237.540 215.551 1.00 53.20 H +ATOM 17586 HB3 PRO B 576 143.954 238.159 215.287 1.00 53.20 H +ATOM 17587 HG2 PRO B 576 144.860 235.593 214.635 1.00 50.70 H +ATOM 17588 HG3 PRO B 576 143.469 235.986 215.310 1.00 50.70 H +ATOM 17589 HD2 PRO B 576 143.591 235.492 212.805 1.00 50.47 H +ATOM 17590 HD3 PRO B 576 142.568 236.597 213.361 1.00 50.47 H +ATOM 17591 N PHE B 577 147.462 238.753 213.777 1.00 54.58 N +ATOM 17592 CA PHE B 577 148.889 238.486 213.800 1.00 56.97 C +ATOM 17593 C PHE B 577 149.164 237.396 214.822 1.00 51.06 C +ATOM 17594 O PHE B 577 148.570 237.388 215.900 1.00 46.76 O +ATOM 17595 CB PHE B 577 149.690 239.743 214.145 1.00 53.84 C +ATOM 17596 CG PHE B 577 151.109 239.455 214.549 1.00 47.98 C +ATOM 17597 CD1 PHE B 577 151.438 239.251 215.880 1.00 53.36 C +ATOM 17598 CD2 PHE B 577 152.111 239.377 213.599 1.00 44.76 C +ATOM 17599 CE1 PHE B 577 152.738 238.978 216.253 1.00 44.62 C +ATOM 17600 CE2 PHE B 577 153.413 239.107 213.968 1.00 42.70 C +ATOM 17601 CZ PHE B 577 153.726 238.906 215.297 1.00 45.99 C +ATOM 17602 H PHE B 577 147.242 239.542 214.039 1.00 65.49 H +ATOM 17603 HA PHE B 577 149.174 238.170 212.928 1.00 68.37 H +ATOM 17604 HB2 PHE B 577 149.714 240.323 213.368 1.00 64.60 H +ATOM 17605 HB3 PHE B 577 149.257 240.198 214.884 1.00 64.60 H +ATOM 17606 HD1 PHE B 577 150.774 239.297 216.530 1.00 64.04 H +ATOM 17607 HD2 PHE B 577 151.905 239.510 212.702 1.00 53.71 H +ATOM 17608 HE1 PHE B 577 152.947 238.846 217.150 1.00 53.55 H +ATOM 17609 HE2 PHE B 577 154.079 239.058 213.321 1.00 51.23 H +ATOM 17610 HZ PHE B 577 154.603 238.725 215.547 1.00 55.19 H +ATOM 17611 N THR B 578 150.055 236.472 214.483 1.00 41.95 N +ATOM 17612 CA THR B 578 150.510 235.483 215.450 1.00 53.11 C +ATOM 17613 C THR B 578 151.974 235.147 215.227 1.00 43.05 C +ATOM 17614 O THR B 578 152.552 235.461 214.187 1.00 38.08 O +ATOM 17615 CB THR B 578 149.670 234.188 215.394 1.00 42.94 C +ATOM 17616 OG1 THR B 578 149.908 233.416 216.578 1.00 43.05 O +ATOM 17617 CG2 THR B 578 150.003 233.354 214.159 1.00 38.50 C +ATOM 17618 H THR B 578 150.409 236.396 213.704 1.00 50.34 H +ATOM 17619 HA THR B 578 150.422 235.855 216.342 1.00 63.74 H +ATOM 17620 HB THR B 578 148.730 234.423 215.354 1.00 51.53 H +ATOM 17621 HG1 THR B 578 149.690 233.858 217.258 1.00 51.66 H +ATOM 17622 HG21 THR B 578 149.463 232.548 214.148 1.00 46.21 H +ATOM 17623 HG22 THR B 578 149.822 233.866 213.355 1.00 46.21 H +ATOM 17624 HG23 THR B 578 150.941 233.105 214.170 1.00 46.21 H +ATOM 17625 N SER B 579 152.558 234.495 216.223 1.00 43.23 N +ATOM 17626 CA SER B 579 153.978 234.199 216.239 1.00 36.44 C +ATOM 17627 C SER B 579 154.266 233.351 217.465 1.00 37.98 C +ATOM 17628 O SER B 579 153.444 233.283 218.378 1.00 36.47 O +ATOM 17629 CB SER B 579 154.801 235.489 216.259 1.00 41.10 C +ATOM 17630 OG SER B 579 156.158 235.233 216.568 1.00 41.08 O +ATOM 17631 H SER B 579 152.140 234.207 216.917 1.00 51.88 H +ATOM 17632 HA SER B 579 154.215 233.691 215.447 1.00 43.73 H +ATOM 17633 HB2 SER B 579 154.752 235.906 215.384 1.00 49.32 H +ATOM 17634 HB3 SER B 579 154.434 236.085 216.930 1.00 49.32 H +ATOM 17635 HG SER B 579 156.592 235.952 216.574 1.00 49.29 H +ATOM 17636 N PHE B 580 155.424 232.702 217.492 1.00 34.15 N +ATOM 17637 CA PHE B 580 155.789 231.862 218.626 1.00 39.26 C +ATOM 17638 C PHE B 580 156.516 232.654 219.709 1.00 38.29 C +ATOM 17639 O PHE B 580 156.912 232.091 220.727 1.00 40.96 O +ATOM 17640 CB PHE B 580 156.646 230.684 218.160 1.00 38.82 C +ATOM 17641 CG PHE B 580 155.863 229.593 217.474 1.00 35.85 C +ATOM 17642 CD1 PHE B 580 154.634 229.183 217.966 1.00 35.07 C +ATOM 17643 CD2 PHE B 580 156.357 228.980 216.337 1.00 38.09 C +ATOM 17644 CE1 PHE B 580 153.919 228.183 217.340 1.00 35.49 C +ATOM 17645 CE2 PHE B 580 155.644 227.981 215.707 1.00 36.66 C +ATOM 17646 CZ PHE B 580 154.424 227.582 216.209 1.00 33.30 C +ATOM 17647 H PHE B 580 156.016 232.732 216.869 1.00 40.98 H +ATOM 17648 HA PHE B 580 154.978 231.501 219.018 1.00 47.12 H +ATOM 17649 HB2 PHE B 580 157.311 231.009 217.534 1.00 46.58 H +ATOM 17650 HB3 PHE B 580 157.085 230.293 218.931 1.00 46.58 H +ATOM 17651 HD1 PHE B 580 154.289 229.585 218.731 1.00 42.08 H +ATOM 17652 HD2 PHE B 580 157.180 229.244 215.993 1.00 45.71 H +ATOM 17653 HE1 PHE B 580 153.096 227.916 217.680 1.00 42.59 H +ATOM 17654 HE2 PHE B 580 155.987 227.576 214.943 1.00 43.99 H +ATOM 17655 HZ PHE B 580 153.943 226.909 215.784 1.00 39.96 H +ATOM 17656 N SER B 581 156.678 233.956 219.493 1.00 38.81 N +ATOM 17657 CA SER B 581 157.253 234.832 220.507 1.00 43.06 C +ATOM 17658 C SER B 581 156.381 236.064 220.720 1.00 41.97 C +ATOM 17659 O SER B 581 155.604 236.442 219.844 1.00 39.36 O +ATOM 17660 CB SER B 581 158.673 235.253 220.120 1.00 36.31 C +ATOM 17661 OG SER B 581 158.713 235.766 218.802 1.00 39.70 O +ATOM 17662 H SER B 581 156.462 234.358 218.764 1.00 46.57 H +ATOM 17663 HA SER B 581 157.303 234.351 221.348 1.00 51.68 H +ATOM 17664 HB2 SER B 581 158.977 235.939 220.734 1.00 43.57 H +ATOM 17665 HB3 SER B 581 159.256 234.479 220.174 1.00 43.57 H +ATOM 17666 HG SER B 581 158.453 235.181 218.258 1.00 47.64 H +ATOM 17667 N VAL B 582 156.512 236.682 221.888 1.00 43.85 N +ATOM 17668 CA VAL B 582 155.706 237.850 222.223 1.00 45.01 C +ATOM 17669 C VAL B 582 156.216 239.084 221.473 1.00 47.05 C +ATOM 17670 O VAL B 582 157.423 239.279 221.350 1.00 47.03 O +ATOM 17671 CB VAL B 582 155.712 238.129 223.744 1.00 41.98 C +ATOM 17672 CG1 VAL B 582 155.227 236.905 224.504 1.00 41.91 C +ATOM 17673 CG2 VAL B 582 157.098 238.536 224.233 1.00 47.38 C +ATOM 17674 H VAL B 582 157.061 236.444 222.506 1.00 52.62 H +ATOM 17675 HA VAL B 582 154.789 237.690 221.951 1.00 54.02 H +ATOM 17676 HB VAL B 582 155.102 238.859 223.932 1.00 50.37 H +ATOM 17677 HG11 VAL B 582 155.238 237.099 225.455 1.00 50.29 H +ATOM 17678 HG12 VAL B 582 154.324 236.694 224.220 1.00 50.29 H +ATOM 17679 HG13 VAL B 582 155.817 236.160 224.312 1.00 50.29 H +ATOM 17680 HG21 VAL B 582 157.060 238.702 225.188 1.00 56.86 H +ATOM 17681 HG22 VAL B 582 157.722 237.818 224.046 1.00 56.86 H +ATOM 17682 HG23 VAL B 582 157.372 239.342 223.768 1.00 56.86 H +ATOM 17683 N PRO B 583 155.299 239.914 220.943 1.00 59.51 N +ATOM 17684 CA PRO B 583 155.738 241.178 220.334 1.00 57.01 C +ATOM 17685 C PRO B 583 156.283 242.166 221.359 1.00 45.15 C +ATOM 17686 O PRO B 583 157.500 242.237 221.522 1.00 48.45 O +ATOM 17687 CB PRO B 583 154.461 241.720 219.687 1.00 63.30 C +ATOM 17688 CG PRO B 583 153.585 240.534 219.510 1.00 71.50 C +ATOM 17689 CD PRO B 583 153.879 239.641 220.665 1.00 56.48 C +ATOM 17690 HA PRO B 583 156.406 241.015 219.650 1.00 68.42 H +ATOM 17691 HB2 PRO B 583 154.045 242.369 220.276 1.00 75.95 H +ATOM 17692 HB3 PRO B 583 154.673 242.121 218.830 1.00 75.95 H +ATOM 17693 HG2 PRO B 583 152.656 240.811 219.520 1.00 85.80 H +ATOM 17694 HG3 PRO B 583 153.801 240.092 218.674 1.00 85.80 H +ATOM 17695 HD2 PRO B 583 153.331 239.883 221.429 1.00 67.78 H +ATOM 17696 HD3 PRO B 583 153.754 238.712 220.417 1.00 67.78 H +HETATM17697 C4 TLF B 601 167.737 223.191 218.252 1.00 32.44 C +HETATM17698 C5 TLF B 601 166.652 222.465 218.716 1.00 28.70 C +HETATM17699 C6 TLF B 601 166.038 221.518 217.907 1.00 27.10 C +HETATM17700 C8 TLF B 601 164.664 220.330 219.667 1.00 28.87 C +HETATM17701 C9 TLF B 601 165.635 220.344 220.659 1.00 24.72 C +HETATM17702 C10 TLF B 601 165.326 219.925 221.942 1.00 26.44 C +HETATM17703 C11 TLF B 601 164.051 219.475 222.239 1.00 27.34 C +HETATM17704 C12 TLF B 601 163.081 219.446 221.252 1.00 26.35 C +HETATM17705 C13 TLF B 601 163.390 219.873 219.971 1.00 25.61 C +HETATM17706 C14 TLF B 601 162.329 219.835 218.893 1.00 29.90 C +HETATM17707 O16 TLF B 601 161.160 219.451 219.161 1.00 25.39 O +HETATM17708 O15 TLF B 601 162.623 220.177 217.719 1.00 28.00 O +HETATM17709 N7 TLF B 601 164.917 220.744 218.329 1.00 27.91 N +HETATM17710 C1 TLF B 601 166.507 221.315 216.617 1.00 27.29 C +HETATM17711 C17 TLF B 601 165.817 220.284 215.742 1.00 26.25 C +HETATM17712 C2 TLF B 601 167.593 222.047 216.147 1.00 33.09 C +HETATM17713 CL TLF B 601 168.191 221.801 214.530 1.00 35.71 CL +HETATM17714 C3 TLF B 601 168.207 222.983 216.964 1.00 31.07 C +HETATM17715 H1 TLF B 601 168.167 223.851 218.829 1.00 38.92 H +HETATM17716 H2 TLF B 601 166.326 222.610 219.625 1.00 34.44 H +HETATM17717 H3 TLF B 601 166.533 220.666 220.455 1.00 29.66 H +HETATM17718 H4 TLF B 601 166.009 219.945 222.638 1.00 31.73 H +HETATM17719 H5 TLF B 601 163.836 219.177 223.143 1.00 32.81 H +HETATM17720 H6 TLF B 601 162.181 219.129 221.459 1.00 31.62 H +HETATM17721 H8 TLF B 601 164.382 220.397 217.677 1.00 33.49 H +HETATM17722 H9 TLF B 601 166.343 220.139 214.927 1.00 31.49 H +HETATM17723 H10 TLF B 601 165.747 219.439 216.233 1.00 31.49 H +HETATM17724 H11 TLF B 601 164.918 220.598 215.510 1.00 31.49 H +HETATM17725 H12 TLF B 601 168.967 223.497 216.633 1.00 37.28 H +HETATM17726 CO COH B 602 151.789 217.981 230.278 1.00 45.30 CO +HETATM17727 CHA COH B 602 151.900 214.588 230.719 1.00 53.77 C +HETATM17728 CHB COH B 602 149.122 218.104 232.567 1.00 54.98 C +HETATM17729 CHC COH B 602 151.108 221.205 229.431 1.00 51.10 C +HETATM17730 CHD COH B 602 154.164 217.792 227.797 1.00 54.95 C +HETATM17731 NA COH B 602 150.677 216.602 231.404 1.00 70.48 N +HETATM17732 C1A COH B 602 150.979 215.257 231.486 1.00 57.20 C +HETATM17733 C2A COH B 602 150.150 214.659 232.516 1.00 64.67 C +HETATM17734 C3A COH B 602 149.384 215.629 233.028 1.00 66.33 C +HETATM17735 C4A COH B 602 149.695 216.869 232.341 1.00 65.51 C +HETATM17736 CMA COH B 602 148.342 215.458 234.157 1.00 61.65 C +HETATM17737 CAA COH B 602 150.145 213.172 232.960 1.00 58.68 C +HETATM17738 CBA COH B 602 151.565 212.677 233.233 1.00 69.45 C +HETATM17739 CGA COH B 602 151.561 211.318 233.891 1.00 74.91 C +HETATM17740 O1A COH B 602 150.462 210.796 234.212 1.00 82.73 O +HETATM17741 O2A COH B 602 152.677 210.768 234.090 1.00 74.60 O +HETATM17742 NB COH B 602 150.395 219.397 230.929 1.00 65.46 N +HETATM17743 C1B COH B 602 149.339 219.230 231.802 1.00 52.08 C +HETATM17744 C2B COH B 602 148.516 220.425 231.777 1.00 49.46 C +HETATM17745 C3B COH B 602 149.068 221.277 230.891 1.00 52.15 C +HETATM17746 C4B COH B 602 150.258 220.644 230.358 1.00 52.33 C +HETATM17747 CMB COH B 602 147.234 220.582 232.628 1.00 53.91 C +HETATM17748 CAB COH B 602 148.646 222.706 230.453 1.00 56.75 C +HETATM17749 CBB COH B 602 147.826 223.497 231.154 1.00 59.32 C +HETATM17750 NC COH B 602 152.480 219.243 228.821 1.00 50.73 N +HETATM17751 C1C COH B 602 152.125 220.574 228.747 1.00 54.74 C +HETATM17752 C2C COH B 602 153.016 221.218 227.815 1.00 47.67 C +HETATM17753 C3C COH B 602 153.873 220.305 227.342 1.00 47.39 C +HETATM17754 C4C COH B 602 153.552 219.024 227.974 1.00 52.36 C +HETATM17755 CMC COH B 602 152.947 222.721 227.453 1.00 42.28 C +HETATM17756 CAC COH B 602 154.976 220.664 226.311 1.00 44.12 C +HETATM17757 CBC COH B 602 155.804 219.772 225.763 1.00 47.91 C +HETATM17758 ND COH B 602 152.887 216.438 229.413 1.00 64.14 N +HETATM17759 C1D COH B 602 153.769 216.585 228.350 1.00 52.42 C +HETATM17760 C2D COH B 602 154.199 215.268 227.915 1.00 53.73 C +HETATM17761 C3D COH B 602 153.481 214.266 228.840 1.00 56.59 C +HETATM17762 C4D COH B 602 152.697 215.097 229.725 1.00 53.62 C +HETATM17763 CMD COH B 602 155.181 214.946 226.766 1.00 50.21 C +HETATM17764 CAD COH B 602 153.534 212.710 228.883 1.00 45.28 C +HETATM17765 CBD COH B 602 153.279 212.063 227.522 1.00 49.64 C +HETATM17766 CGD COH B 602 152.639 210.699 227.690 1.00 45.31 C +HETATM17767 O1D COH B 602 153.340 209.687 227.994 1.00 67.93 O +HETATM17768 O2D COH B 602 151.397 210.617 227.502 1.00 47.02 O +HETATM17769 HHA COH B 602 152.000 213.631 230.903 1.00 64.53 H +HETATM17770 HHB COH B 602 148.656 218.228 233.420 1.00 65.98 H +HETATM17771 HHC COH B 602 150.976 222.157 229.237 1.00 61.33 H +HETATM17772 HHD COH B 602 154.957 217.773 227.221 1.00 65.94 H +HETATM17773 HMA1 COH B 602 147.919 216.322 234.345 1.00 73.97 H +HETATM17774 HMA2 COH B 602 148.788 215.130 234.966 1.00 73.97 H +HETATM17775 HMA3 COH B 602 147.659 214.814 233.876 1.00 73.97 H +HETATM17776 HAA1 COH B 602 149.749 212.632 232.259 1.00 70.41 H +HETATM17777 HAA2 COH B 602 149.616 213.083 233.768 1.00 70.41 H +HETATM17778 HBA1 COH B 602 152.014 213.310 233.816 1.00 83.34 H +HETATM17779 HBA2 COH B 602 152.048 212.622 232.394 1.00 83.34 H +HETATM17780 HMB1 COH B 602 146.840 221.453 232.461 1.00 64.70 H +HETATM17781 HMB2 COH B 602 147.459 220.505 233.568 1.00 64.70 H +HETATM17782 HMB3 COH B 602 146.600 219.888 232.389 1.00 64.70 H +HETATM17783 HAB COH B 602 148.997 223.043 229.626 1.00 68.10 H +HETATM17784 HBB1 COH B 602 147.457 223.189 231.996 1.00 71.18 H +HETATM17785 HBB2 COH B 602 147.603 224.381 230.821 1.00 71.18 H +HETATM17786 HMC1 COH B 602 153.641 222.930 226.809 1.00 50.74 H +HETATM17787 HMC2 COH B 602 153.078 223.253 228.254 1.00 50.74 H +HETATM17788 HMC3 COH B 602 152.079 222.922 227.070 1.00 50.74 H +HETATM17789 HAC COH B 602 155.068 221.584 226.052 1.00 52.95 H +HETATM17790 HBC1 COH B 602 155.734 218.834 226.002 1.00 57.49 H +HETATM17791 HBC2 COH B 602 156.474 220.061 225.124 1.00 57.49 H +HETATM17792 HMD1 COH B 602 155.290 213.975 226.692 1.00 60.25 H +HETATM17793 HMD2 COH B 602 156.049 215.359 226.954 1.00 60.25 H +HETATM17794 HMD3 COH B 602 154.826 215.300 225.924 1.00 60.25 H +HETATM17795 HAD1 COH B 602 152.865 212.393 229.509 1.00 54.33 H +HETATM17796 HAD2 COH B 602 154.410 212.438 229.198 1.00 54.33 H +HETATM17797 HBD1 COH B 602 154.122 211.965 227.052 1.00 59.57 H +HETATM17798 HBD2 COH B 602 152.689 212.631 227.004 1.00 59.57 H +HETATM17799 C1 NAG B 603 188.617 199.253 231.006 1.00 96.35 C +HETATM17800 C2 NAG B 603 190.063 199.546 231.420 1.00101.03 C +HETATM17801 C3 NAG B 603 190.421 198.766 232.684 1.00 99.53 C +HETATM17802 C4 NAG B 603 189.401 199.035 233.781 1.00101.01 C +HETATM17803 C5 NAG B 603 188.000 198.726 233.266 1.00101.11 C +HETATM17804 C6 NAG B 603 186.913 199.037 234.268 1.00101.45 C +HETATM17805 C7 NAG B 603 191.654 200.140 229.638 1.00 93.39 C +HETATM17806 C8 NAG B 603 192.563 199.612 228.568 1.00 91.46 C +HETATM17807 N2 NAG B 603 190.986 199.220 230.344 1.00 97.74 N +HETATM17808 O3 NAG B 603 191.719 199.148 233.123 1.00 98.66 O +HETATM17809 O4 NAG B 603 189.683 198.227 234.918 1.00100.81 O +HETATM17810 O5 NAG B 603 187.735 199.525 232.104 1.00101.46 O +HETATM17811 O6 NAG B 603 185.887 198.053 234.239 1.00101.41 O +HETATM17812 O7 NAG B 603 191.531 201.342 229.852 1.00 93.50 O +HETATM17813 H2 NAG B 603 190.138 200.498 231.620 1.00121.24 H +HETATM17814 H3 NAG B 603 190.423 197.812 232.479 1.00119.43 H +HETATM17815 H4 NAG B 603 189.448 199.976 234.038 1.00121.21 H +HETATM17816 H5 NAG B 603 187.951 197.783 233.022 1.00121.33 H +HETATM17817 H61 NAG B 603 186.525 199.908 234.059 1.00121.74 H +HETATM17818 H62 NAG B 603 187.302 199.066 235.162 1.00121.74 H +HETATM17819 H81 NAG B 603 192.969 200.358 228.088 1.00109.75 H +HETATM17820 H82 NAG B 603 192.048 199.065 227.944 1.00109.75 H +HETATM17821 H83 NAG B 603 193.263 199.067 228.976 1.00109.75 H +HETATM17822 HN2 NAG B 603 191.118 198.341 230.141 1.00117.29 H +HETATM17823 HO3 NAG B 603 191.918 198.714 233.872 1.00118.39 H +HETATM17824 HO4 NAG B 603 189.593 198.712 235.656 1.00120.97 H +HETATM17825 HO6 NAG B 603 185.261 198.262 234.833 1.00121.69 H +HETATM17826 P PO4 B 609 136.889 204.959 219.682 1.00137.46 P +HETATM17827 O1 PO4 B 609 136.722 203.839 218.683 1.00130.99 O +HETATM17828 O2 PO4 B 609 136.492 206.253 219.017 1.00131.81 O +HETATM17829 O3 PO4 B 609 136.016 204.699 220.886 1.00115.85 O +HETATM17830 O4 PO4 B 609 138.326 205.049 220.135 1.00100.60 O +HETATM17831 P PO4 B 610 174.681 200.649 220.863 1.00 63.42 P +HETATM17832 O1 PO4 B 610 174.891 199.731 219.683 1.00 82.32 O +HETATM17833 O2 PO4 B 610 173.359 201.362 220.721 1.00 92.60 O +HETATM17834 O3 PO4 B 610 174.675 199.829 222.130 1.00 58.55 O +HETATM17835 O4 PO4 B 610 175.787 201.675 220.917 1.00 62.26 O +HETATM17836 P PO4 B 611 170.584 234.473 231.863 1.00166.59 P +HETATM17837 O1 PO4 B 611 170.901 233.330 230.929 1.00 69.94 O +HETATM17838 O2 PO4 B 611 169.295 235.114 231.410 1.00 99.15 O +HETATM17839 O3 PO4 B 611 170.433 233.968 233.278 1.00 83.30 O +HETATM17840 O4 PO4 B 611 171.708 235.481 231.826 1.00152.14 O +TER 17841 PO4 B 611 +HETATM17841 C1 NAG C 1 143.318 198.193 207.790 1.00 35.13 C +HETATM17842 C2 NAG C 1 142.728 198.570 209.151 1.00 40.92 C +HETATM17843 C3 NAG C 1 141.569 197.637 209.506 1.00 44.17 C +HETATM17844 C4 NAG C 1 140.552 197.582 208.373 1.00 49.79 C +HETATM17845 C5 NAG C 1 141.250 197.241 207.062 1.00 46.96 C +HETATM17846 C6 NAG C 1 140.324 197.294 205.870 1.00 35.61 C +HETATM17847 C7 NAG C 1 143.983 199.527 211.041 1.00 38.42 C +HETATM17848 C8 NAG C 1 145.076 199.293 212.040 1.00 39.99 C +HETATM17849 N2 NAG C 1 143.749 198.526 210.186 1.00 30.62 N +HETATM17850 O3 NAG C 1 140.944 198.096 210.699 1.00 36.57 O +HETATM17851 O4 NAG C 1 139.576 196.579 208.636 1.00 53.91 O +HETATM17852 O5 NAG C 1 142.294 198.189 206.810 1.00 31.20 O +HETATM17853 O6 NAG C 1 139.719 198.573 205.748 1.00 36.89 O +HETATM17854 O7 NAG C 1 143.344 200.575 211.011 1.00 38.84 O +HETATM17855 H2 NAG C 1 142.379 199.480 209.094 1.00 49.10 H +HETATM17856 H3 NAG C 1 141.921 196.740 209.659 1.00 53.00 H +HETATM17857 H4 NAG C 1 140.111 198.449 208.290 1.00 59.75 H +HETATM17858 H5 NAG C 1 141.637 196.347 207.128 1.00 56.35 H +HETATM17859 H61 NAG C 1 139.628 196.619 205.976 1.00 42.73 H +HETATM17860 H62 NAG C 1 140.835 197.103 205.060 1.00 42.73 H +HETATM17861 H81 NAG C 1 145.194 200.093 212.587 1.00 47.98 H +HETATM17862 H82 NAG C 1 145.908 199.094 211.571 1.00 47.98 H +HETATM17863 H83 NAG C 1 144.837 198.540 212.613 1.00 47.98 H +HETATM17864 HN2 NAG C 1 144.256 197.771 210.258 1.00 36.75 H +HETATM17865 HO3 NAG C 1 140.061 198.050 210.608 1.00 43.88 H +HETATM17866 HO6 NAG C 1 140.064 198.999 205.049 1.00 44.27 H +HETATM17867 C1 NAG C 2 138.251 197.144 208.685 1.00 59.71 C +HETATM17868 C2 NAG C 2 137.235 196.019 208.427 1.00 68.81 C +HETATM17869 C3 NAG C 2 135.804 196.531 208.609 1.00 76.82 C +HETATM17870 C4 NAG C 2 135.647 197.239 209.950 1.00 85.01 C +HETATM17871 C5 NAG C 2 136.721 198.313 210.079 1.00 76.28 C +HETATM17872 C6 NAG C 2 136.691 199.037 211.404 1.00 75.40 C +HETATM17873 C7 NAG C 2 138.137 194.370 206.837 1.00 63.39 C +HETATM17874 C8 NAG C 2 138.190 193.940 205.403 1.00 66.96 C +HETATM17875 N2 NAG C 2 137.407 195.462 207.094 1.00 65.64 N +HETATM17876 O3 NAG C 2 134.924 195.417 208.522 1.00 72.40 O +HETATM17877 O4 NAG C 2 134.383 197.885 210.056 1.00101.43 O +HETATM17878 O5 NAG C 2 138.014 197.709 209.964 1.00 66.27 O +HETATM17879 O6 NAG C 2 137.614 198.469 212.323 1.00 75.44 O +HETATM17880 O7 NAG C 2 138.730 193.761 207.721 1.00 62.84 O +HETATM17881 H2 NAG C 2 137.389 195.312 209.082 1.00 82.57 H +HETATM17882 H3 NAG C 2 135.596 197.159 207.891 1.00 92.19 H +HETATM17883 H4 NAG C 2 135.745 196.592 210.674 1.00102.02 H +HETATM17884 H5 NAG C 2 136.608 198.963 209.359 1.00 91.54 H +HETATM17885 H61 NAG C 2 135.792 198.981 211.779 1.00 90.47 H +HETATM17886 H62 NAG C 2 136.920 199.975 211.261 1.00 90.47 H +HETATM17887 H81 NAG C 2 138.776 193.164 205.318 1.00 80.35 H +HETATM17888 H82 NAG C 2 138.535 194.671 204.857 1.00 80.35 H +HETATM17889 H83 NAG C 2 137.292 193.704 205.101 1.00 80.35 H +HETATM17890 HN2 NAG C 2 136.985 195.872 206.397 1.00 78.77 H +HETATM17891 HO3 NAG C 2 134.274 195.597 207.944 1.00 86.88 H +HETATM17892 HO6 NAG C 2 138.096 197.848 211.911 1.00 90.53 H +HETATM17893 C1 MAN C 3 133.233 197.011 210.052 1.00111.54 C +HETATM17894 C2 MAN C 3 132.112 197.840 209.375 1.00116.38 C +HETATM17895 C3 MAN C 3 130.761 197.716 210.103 1.00132.54 C +HETATM17896 C4 MAN C 3 130.857 197.912 211.639 1.00124.73 C +HETATM17897 C5 MAN C 3 132.250 197.556 212.190 1.00124.16 C +HETATM17898 C6 MAN C 3 132.175 196.976 213.593 1.00127.74 C +HETATM17899 O2 MAN C 3 131.869 197.376 208.044 1.00113.41 O +HETATM17900 O3 MAN C 3 130.114 196.482 209.802 1.00145.62 O +HETATM17901 O4 MAN C 3 130.555 199.263 211.971 1.00122.62 O +HETATM17902 O5 MAN C 3 132.877 196.572 211.350 1.00116.96 O +HETATM17903 O6 MAN C 3 131.196 197.708 214.329 1.00127.87 O +HETATM17904 H2 MAN C 3 132.423 198.893 209.362 1.00139.66 H +HETATM17905 H3 MAN C 3 130.098 198.497 209.716 1.00159.05 H +HETATM17906 H4 MAN C 3 130.130 197.230 212.111 1.00149.68 H +HETATM17907 H5 MAN C 3 132.865 198.466 212.225 1.00148.99 H +HETATM17908 H61 MAN C 3 133.170 197.051 214.057 1.00153.29 H +HETATM17909 H62 MAN C 3 131.912 195.913 213.504 1.00153.29 H +HETATM17910 HO2 MAN C 3 131.159 196.723 208.064 1.00136.10 H +HETATM17911 HO3 MAN C 3 130.640 195.800 210.251 1.00174.74 H +HETATM17912 HO4 MAN C 3 130.637 199.312 212.936 1.00147.14 H +HETATM17913 HO6 MAN C 3 130.395 197.169 214.365 1.00153.44 H +TER 17914 MAN C 3 +HETATM17914 C1 NAG D 1 149.287 157.926 205.819 1.00 68.45 C +HETATM17915 C2 NAG D 1 148.231 157.129 205.075 1.00 76.99 C +HETATM17916 C3 NAG D 1 148.126 155.730 205.671 1.00 66.50 C +HETATM17917 C4 NAG D 1 149.495 155.060 205.717 1.00 77.50 C +HETATM17918 C5 NAG D 1 150.549 155.980 206.336 1.00 74.41 C +HETATM17919 C6 NAG D 1 151.953 155.446 206.179 1.00 67.51 C +HETATM17920 C7 NAG D 1 146.156 157.939 204.038 1.00 55.98 C +HETATM17921 C8 NAG D 1 144.862 158.663 204.259 1.00 54.27 C +HETATM17922 N2 NAG D 1 146.942 157.803 205.112 1.00 67.46 N +HETATM17923 O3 NAG D 1 147.233 154.949 204.886 1.00 74.50 O +HETATM17924 O4 NAG D 1 149.415 153.888 206.521 1.00 79.77 O +HETATM17925 O5 NAG D 1 150.533 157.271 205.709 1.00 67.32 O +HETATM17926 O6 NAG D 1 152.868 156.140 207.015 1.00 69.38 O +HETATM17927 O7 NAG D 1 146.472 157.495 202.939 1.00 63.99 O +HETATM17928 H2 NAG D 1 148.511 157.042 204.144 1.00 92.38 H +HETATM17929 H3 NAG D 1 147.774 155.797 206.579 1.00 79.80 H +HETATM17930 H4 NAG D 1 149.767 154.816 204.812 1.00 93.00 H +HETATM17931 H5 NAG D 1 150.355 156.087 207.287 1.00 89.29 H +HETATM17932 H61 NAG D 1 152.231 155.546 205.249 1.00 81.02 H +HETATM17933 H62 NAG D 1 151.962 154.498 206.415 1.00 81.02 H +HETATM17934 H81 NAG D 1 144.386 158.744 203.411 1.00 65.12 H +HETATM17935 H82 NAG D 1 145.044 159.553 204.616 1.00 65.12 H +HETATM17936 H83 NAG D 1 144.315 158.164 204.894 1.00 65.12 H +HETATM17937 HN2 NAG D 1 146.658 158.152 205.905 1.00 80.95 H +HETATM17938 HO3 NAG D 1 147.558 154.128 204.795 1.00 89.39 H +HETATM17939 HO6 NAG D 1 153.002 155.674 207.759 1.00 83.26 H +HETATM17940 C1 NAG D 2 149.731 152.697 205.785 1.00 91.94 C +HETATM17941 C2 NAG D 2 150.173 151.635 206.793 1.00 95.12 C +HETATM17942 C3 NAG D 2 150.419 150.298 206.095 1.00107.47 C +HETATM17943 C4 NAG D 2 149.208 149.900 205.267 1.00115.51 C +HETATM17944 C5 NAG D 2 148.868 151.025 204.298 1.00115.91 C +HETATM17945 C6 NAG D 2 147.635 150.746 203.469 1.00125.08 C +HETATM17946 C7 NAG D 2 151.332 152.756 208.650 1.00 81.80 C +HETATM17947 C8 NAG D 2 152.664 153.106 209.243 1.00 75.41 C +HETATM17948 N2 NAG D 2 151.366 152.059 207.509 1.00 85.85 N +HETATM17949 O3 NAG D 2 150.687 149.300 207.074 1.00109.66 O +HETATM17950 O4 NAG D 2 149.479 148.708 204.540 1.00119.27 O +HETATM17951 O5 NAG D 2 148.610 152.225 205.040 1.00103.26 O +HETATM17952 O6 NAG D 2 146.487 151.376 204.020 1.00129.87 O +HETATM17953 O7 NAG D 2 150.277 153.089 209.179 1.00 74.87 O +HETATM17954 H2 NAG D 2 149.453 151.509 207.439 1.00114.14 H +HETATM17955 H3 NAG D 2 151.194 150.384 205.507 1.00128.96 H +HETATM17956 H4 NAG D 2 148.448 149.748 205.861 1.00138.61 H +HETATM17957 H5 NAG D 2 149.627 151.174 203.702 1.00139.10 H +HETATM17958 H61 NAG D 2 147.485 149.783 203.435 1.00150.09 H +HETATM17959 H62 NAG D 2 147.778 151.080 202.563 1.00150.09 H +HETATM17960 H81 NAG D 2 152.530 153.645 210.046 1.00 90.49 H +HETATM17961 H82 NAG D 2 153.186 153.614 208.593 1.00 90.49 H +HETATM17962 H83 NAG D 2 153.141 152.288 209.476 1.00 90.49 H +HETATM17963 HN2 NAG D 2 152.179 151.840 207.160 1.00103.02 H +HETATM17964 HO3 NAG D 2 150.757 148.509 206.678 1.00131.60 H +HETATM17965 HO4 NAG D 2 148.821 148.126 204.669 1.00143.13 H +HETATM17966 HO6 NAG D 2 146.740 151.988 204.612 1.00155.84 H +TER 17967 NAG D 2 +HETATM17967 C1 NAG E 1 154.466 193.634 222.984 1.00 30.86 C +HETATM17968 C2 NAG E 1 153.502 192.515 222.583 1.00 35.32 C +HETATM17969 C3 NAG E 1 152.349 192.426 223.583 1.00 40.53 C +HETATM17970 C4 NAG E 1 152.886 192.283 225.000 1.00 45.07 C +HETATM17971 C5 NAG E 1 153.843 193.427 225.301 1.00 40.11 C +HETATM17972 C6 NAG E 1 154.490 193.311 226.661 1.00 32.69 C +HETATM17973 C7 NAG E 1 152.943 191.757 220.308 1.00 30.72 C +HETATM17974 C8 NAG E 1 152.373 192.153 218.980 1.00 40.16 C +HETATM17975 N2 NAG E 1 152.990 192.721 221.236 1.00 32.16 N +HETATM17976 O3 NAG E 1 151.521 191.315 223.257 1.00 40.99 O +HETATM17977 O4 NAG E 1 151.822 192.324 225.943 1.00 46.85 O +HETATM17978 O5 NAG E 1 154.904 193.433 224.336 1.00 34.40 O +HETATM17979 O6 NAG E 1 155.145 192.060 226.817 1.00 34.09 O +HETATM17980 O7 NAG E 1 153.343 190.619 220.528 1.00 35.22 O +HETATM17981 H2 NAG E 1 153.988 191.669 222.605 1.00 42.38 H +HETATM17982 H3 NAG E 1 151.819 193.243 223.527 1.00 48.63 H +HETATM17983 H4 NAG E 1 153.360 191.434 225.083 1.00 54.08 H +HETATM17984 H5 NAG E 1 153.358 194.272 225.249 1.00 48.14 H +HETATM17985 H61 NAG E 1 153.803 193.399 227.349 1.00 39.23 H +HETATM17986 H62 NAG E 1 155.142 194.029 226.766 1.00 39.23 H +HETATM17987 H81 NAG E 1 152.421 191.396 218.366 1.00 48.20 H +HETATM17988 H82 NAG E 1 152.885 192.900 218.615 1.00 48.20 H +HETATM17989 H83 NAG E 1 151.442 192.422 219.093 1.00 48.20 H +HETATM17990 HN2 NAG E 1 152.675 193.548 221.016 1.00 38.60 H +HETATM17991 HO3 NAG E 1 151.310 190.876 223.999 1.00 49.19 H +HETATM17992 HO6 NAG E 1 155.989 192.133 226.550 1.00 40.91 H +HETATM17993 C1 NAG E 2 151.730 191.097 226.679 1.00 47.89 C +HETATM17994 C2 NAG E 2 150.961 191.393 227.971 1.00 48.79 C +HETATM17995 C3 NAG E 2 150.656 190.107 228.745 1.00 69.98 C +HETATM17996 C4 NAG E 2 150.020 189.069 227.830 1.00 70.94 C +HETATM17997 C5 NAG E 2 150.931 188.866 226.628 1.00 50.88 C +HETATM17998 C6 NAG E 2 150.420 187.845 225.639 1.00 39.05 C +HETATM17999 C7 NAG E 2 151.459 193.637 228.825 1.00 46.52 C +HETATM18000 C8 NAG E 2 152.315 194.452 229.747 1.00 37.19 C +HETATM18001 N2 NAG E 2 151.700 192.324 228.808 1.00 45.10 N +HETATM18002 O3 NAG E 2 149.783 190.447 229.816 1.00 52.89 O +HETATM18003 O4 NAG E 2 149.854 187.808 228.472 1.00 86.42 O +HETATM18004 O5 NAG E 2 151.053 190.109 225.931 1.00 52.65 O +HETATM18005 O6 NAG E 2 149.141 188.202 225.134 1.00 61.63 O +HETATM18006 O7 NAG E 2 150.593 194.144 228.129 1.00 46.86 O +HETATM18007 H2 NAG E 2 150.110 191.805 227.730 1.00 58.55 H +HETATM18008 H3 NAG E 2 151.487 189.748 229.110 1.00 83.98 H +HETATM18009 H4 NAG E 2 149.151 189.394 227.526 1.00 85.12 H +HETATM18010 H5 NAG E 2 151.813 188.590 226.942 1.00 61.06 H +HETATM18011 H61 NAG E 2 150.357 186.978 226.081 1.00 46.86 H +HETATM18012 H62 NAG E 2 151.048 187.780 224.896 1.00 46.86 H +HETATM18013 H81 NAG E 2 152.087 195.396 229.653 1.00 44.63 H +HETATM18014 H82 NAG E 2 153.255 194.320 229.520 1.00 44.63 H +HETATM18015 H83 NAG E 2 152.160 194.170 230.668 1.00 44.63 H +HETATM18016 HN2 NAG E 2 152.358 191.995 229.347 1.00 54.12 H +HETATM18017 HO3 NAG E 2 150.159 190.219 230.588 1.00 63.47 H +HETATM18018 HO6 NAG E 2 148.848 187.561 224.594 1.00 73.96 H +HETATM18019 C1 MAN E 3 149.052 187.831 229.677 1.00 79.24 C +HETATM18020 C2 MAN E 3 149.552 186.617 230.505 1.00 73.60 C +HETATM18021 C3 MAN E 3 148.413 185.880 231.227 1.00 76.79 C +HETATM18022 C4 MAN E 3 147.194 185.565 230.318 1.00 72.78 C +HETATM18023 C5 MAN E 3 147.110 186.492 229.092 1.00 68.30 C +HETATM18024 C6 MAN E 3 145.671 186.706 228.643 1.00 71.80 C +HETATM18025 O2 MAN E 3 150.447 187.049 231.538 1.00 67.99 O +HETATM18026 O3 MAN E 3 147.988 186.581 232.396 1.00 77.18 O +HETATM18027 O4 MAN E 3 147.264 184.213 229.872 1.00 67.62 O +HETATM18028 O5 MAN E 3 147.653 187.784 229.406 1.00 65.96 O +HETATM18029 O6 MAN E 3 144.964 185.476 228.800 1.00 70.01 O +HETATM18030 H2 MAN E 3 150.060 185.921 229.823 1.00 88.32 H +HETATM18031 H3 MAN E 3 148.806 184.923 231.586 1.00 92.15 H +HETATM18032 H4 MAN E 3 146.280 185.723 230.916 1.00 87.34 H +HETATM18033 H5 MAN E 3 147.669 186.041 228.261 1.00 81.96 H +HETATM18034 H61 MAN E 3 145.677 187.038 227.593 1.00 86.16 H +HETATM18035 H62 MAN E 3 145.242 187.508 229.258 1.00 86.16 H +HETATM18036 HO2 MAN E 3 149.931 187.359 232.292 1.00 81.59 H +HETATM18037 HO3 MAN E 3 147.506 187.358 232.068 1.00 92.62 H +HETATM18038 HO4 MAN E 3 146.426 184.054 229.409 1.00 81.14 H +HETATM18039 HO6 MAN E 3 144.025 185.662 228.676 1.00 84.01 H +TER 18040 MAN E 3 +HETATM18040 C1 NAG F 1 134.359 228.106 232.696 1.00 81.28 C +HETATM18041 C2 NAG F 1 134.034 228.309 234.161 1.00 78.60 C +HETATM18042 C3 NAG F 1 132.767 229.147 234.302 1.00 86.02 C +HETATM18043 C4 NAG F 1 132.842 230.422 233.465 1.00102.89 C +HETATM18044 C5 NAG F 1 133.384 230.163 232.054 1.00 73.81 C +HETATM18045 C6 NAG F 1 133.761 231.438 231.332 1.00 75.05 C +HETATM18046 C7 NAG F 1 134.551 226.696 235.946 1.00 60.99 C +HETATM18047 C8 NAG F 1 134.263 225.332 236.501 1.00 60.58 C +HETATM18048 N2 NAG F 1 133.881 227.030 234.838 1.00 64.39 N +HETATM18049 O3 NAG F 1 132.586 229.483 235.672 1.00 90.21 O +HETATM18050 O4 NAG F 1 131.521 230.933 233.312 1.00 98.84 O +HETATM18051 O5 NAG F 1 134.567 229.352 232.089 1.00 67.86 O +HETATM18052 O6 NAG F 1 133.287 231.444 229.992 1.00 72.18 O +HETATM18053 O7 NAG F 1 135.349 227.458 236.480 1.00 62.78 O +HETATM18054 H2 NAG F 1 134.770 228.798 234.576 1.00 94.33 H +HETATM18055 H3 NAG F 1 132.003 228.618 234.003 1.00103.22 H +HETATM18056 H4 NAG F 1 133.400 231.082 233.918 1.00123.46 H +HETATM18057 H5 NAG F 1 132.700 229.699 231.536 1.00 88.57 H +HETATM18058 H61 NAG F 1 134.733 231.524 231.325 1.00 90.06 H +HETATM18059 H62 NAG F 1 133.377 232.198 231.808 1.00 90.06 H +HETATM18060 H81 NAG F 1 134.829 225.172 237.280 1.00 72.69 H +HETATM18061 H82 NAG F 1 134.449 224.658 235.820 1.00 72.69 H +HETATM18062 H83 NAG F 1 133.325 225.280 236.764 1.00 72.69 H +HETATM18063 HN2 NAG F 1 133.300 226.422 234.485 1.00 77.27 H +HETATM18064 HO3 NAG F 1 132.238 230.298 235.734 1.00108.25 H +HETATM18065 C1 NAG F 2 131.326 232.253 233.848 1.00 87.87 C +HETATM18066 C2 NAG F 2 130.127 232.861 233.117 1.00 94.53 C +HETATM18067 C3 NAG F 2 129.799 234.236 233.690 1.00 99.90 C +HETATM18068 C4 NAG F 2 129.595 234.142 235.194 1.00 98.22 C +HETATM18069 C5 NAG F 2 130.825 233.511 235.837 1.00 91.36 C +HETATM18070 C6 NAG F 2 130.670 233.295 237.325 1.00 85.20 C +HETATM18071 C7 NAG F 2 129.624 232.347 230.763 1.00 96.45 C +HETATM18072 C8 NAG F 2 130.033 232.563 229.337 1.00 97.46 C +HETATM18073 N2 NAG F 2 130.379 232.953 231.687 1.00 96.64 N +HETATM18074 O3 NAG F 2 128.621 234.739 233.069 1.00103.42 O +HETATM18075 O4 NAG F 2 129.378 235.438 235.740 1.00100.08 O +HETATM18076 O5 NAG F 2 131.064 232.221 235.255 1.00 88.48 O +HETATM18077 O6 NAG F 2 130.096 232.026 237.607 1.00 91.65 O +HETATM18078 O7 NAG F 2 128.657 231.653 231.062 1.00 96.13 O +HETATM18079 H2 NAG F 2 129.354 232.282 233.260 1.00113.43 H +HETATM18080 H3 NAG F 2 130.540 234.844 233.506 1.00119.88 H +HETATM18081 H4 NAG F 2 128.816 233.583 235.377 1.00117.87 H +HETATM18082 H5 NAG F 2 131.599 234.083 235.676 1.00109.63 H +HETATM18083 H61 NAG F 2 130.095 233.994 237.691 1.00102.24 H +HETATM18084 H62 NAG F 2 131.548 233.350 237.749 1.00102.24 H +HETATM18085 H81 NAG F 2 129.448 232.049 228.749 1.00116.95 H +HETATM18086 H82 NAG F 2 130.956 232.269 229.215 1.00116.95 H +HETATM18087 H83 NAG F 2 129.962 233.512 229.119 1.00116.95 H +HETATM18088 HN2 NAG F 2 131.084 233.458 231.404 1.00115.97 H +HETATM18089 HO3 NAG F 2 128.183 235.258 233.641 1.00124.10 H +HETATM18090 HO4 NAG F 2 128.693 235.411 236.305 1.00120.09 H +HETATM18091 HO6 NAG F 2 130.136 231.516 236.881 1.00109.98 H +TER 18092 NAG F 2 +END diff --git a/data/examples/ibuprofen_complete/protein/receptor.pdbqt b/data/examples/ibuprofen_complete/protein/receptor.pdbqt new file mode 100644 index 0000000000000000000000000000000000000000..841ced4a36402eaaa3fc756cc47b7916b4ea0da9 --- /dev/null +++ b/data/examples/ibuprofen_complete/protein/receptor.pdbqt @@ -0,0 +1,10801 @@ +ATOM 1 C ASN A 34 139.630 207.732 183.119 1.00 0.00 0.242 C +ATOM 2 O ASN A 34 139.895 206.636 182.629 1.00 0.00 -0.273 OA +ATOM 3 CA ASN A 34 138.533 207.856 184.179 1.00 0.00 0.180 C +ATOM 4 N ASN A 34 137.227 207.570 183.594 1.00 0.00 -0.342 N +ATOM 5 CB ASN A 34 138.811 206.908 185.347 1.00 0.00 0.134 C +ATOM 6 CG ASN A 34 140.040 207.308 186.155 1.00 0.00 0.220 C +ATOM 7 OD1 ASN A 34 140.862 208.111 185.714 1.00 0.00 -0.275 OA +ATOM 8 ND2 ASN A 34 140.169 206.738 187.345 1.00 0.00 -0.368 N +ATOM 9 HD22 ASN A 34 140.845 206.928 187.842 1.00 0.00 0.159 HD +ATOM 10 HD21 ASN A 34 139.577 206.178 187.620 1.00 0.00 0.159 HD +ATOM 11 H ASN A 34 136.547 208.287 183.885 1.00 0.00 0.164 HD +ATOM 12 C PRO A 35 142.507 208.008 181.959 1.00 0.00 0.243 C +ATOM 13 O PRO A 35 143.212 207.612 181.031 1.00 0.00 -0.271 OA +ATOM 14 CA PRO A 35 141.245 208.816 181.653 1.00 0.00 0.175 C +ATOM 15 N PRO A 35 140.282 208.853 182.762 1.00 0.00 -0.329 N +ATOM 16 CB PRO A 35 141.586 210.294 181.446 1.00 0.00 0.037 C +ATOM 17 CG PRO A 35 141.355 210.918 182.770 1.00 0.00 0.024 C +ATOM 18 CD PRO A 35 140.194 210.192 183.368 1.00 0.00 0.121 C +ATOM 19 CB CYS A 36 144.318 207.316 185.089 1.00 0.00 0.116 C +ATOM 20 SG CYS A 36 144.905 208.999 185.381 1.00 0.00 -0.092 SA +ATOM 21 CA CYS A 36 143.973 207.022 183.629 1.00 0.00 0.183 C +ATOM 22 C CYS A 36 143.807 205.516 183.426 1.00 0.00 0.244 C +ATOM 23 N CYS A 36 142.781 207.766 183.235 1.00 0.00 -0.343 N +ATOM 24 O CYS A 36 144.756 204.754 183.608 1.00 0.00 -0.272 OA +ATOM 25 H CYS A 36 142.293 208.023 183.895 1.00 0.00 0.164 HD +ATOM 26 CB CYS A 37 140.881 203.488 182.346 1.00 0.00 0.116 C +ATOM 27 SG CYS A 37 139.665 203.670 183.660 1.00 0.00 -0.092 SA +ATOM 28 CA CYS A 37 142.333 203.681 182.788 1.00 0.00 0.183 C +ATOM 29 C CYS A 37 143.266 203.108 181.725 1.00 0.00 0.244 C +ATOM 30 N CYS A 37 142.604 205.092 183.051 1.00 0.00 -0.343 N +ATOM 31 O CYS A 37 143.586 201.921 181.747 1.00 0.00 -0.272 OA +ATOM 32 H CYS A 37 141.922 205.605 182.940 1.00 0.00 0.164 HD +ATOM 33 C SER A 38 146.020 203.426 180.124 1.00 0.00 0.244 C +ATOM 34 O SER A 38 146.876 203.035 179.329 1.00 0.00 -0.272 OA +ATOM 35 CA SER A 38 144.555 203.516 179.700 1.00 0.00 0.197 C +ATOM 36 N SER A 38 143.697 203.954 180.794 1.00 0.00 -0.342 N +ATOM 37 CB SER A 38 144.416 204.462 178.504 1.00 0.00 0.191 C +ATOM 38 OG SER A 38 144.772 205.788 178.852 1.00 0.00 -0.392 OA +ATOM 39 HG SER A 38 144.690 206.292 178.185 1.00 0.00 0.210 HD +ATOM 40 H SER A 38 143.504 204.792 180.774 1.00 0.00 0.164 HD +ATOM 41 C HIS A 39 148.596 204.581 180.979 1.00 0.00 0.242 C +ATOM 42 O HIS A 39 149.604 204.049 180.513 1.00 0.00 -0.272 OA +ATOM 43 CA HIS A 39 147.660 203.800 181.904 1.00 0.00 0.177 C +ATOM 44 N HIS A 39 146.296 203.780 181.376 1.00 0.00 -0.343 N +ATOM 45 CB HIS A 39 148.176 202.373 182.102 1.00 0.00 0.093 C +ATOM 46 CG HIS A 39 147.180 201.454 182.741 1.00 0.00 0.061 A +ATOM 47 ND1 HIS A 39 146.724 201.628 184.029 1.00 0.00 -0.242 NA +ATOM 48 CD2 HIS A 39 146.551 200.354 182.265 1.00 0.00 0.107 A +ATOM 49 CE1 HIS A 39 145.856 200.675 184.319 1.00 0.00 0.196 A +ATOM 50 NE2 HIS A 39 145.734 199.888 183.266 1.00 0.00 -0.350 N +ATOM 51 HE2 HIS A 39 145.226 199.196 183.215 1.00 0.00 0.167 HD +ATOM 52 H HIS A 39 145.701 204.017 181.950 1.00 0.00 0.164 HD +ATOM 53 C PRO A 40 150.408 207.042 180.150 1.00 0.00 0.243 C +ATOM 54 O PRO A 40 151.262 207.225 179.285 1.00 0.00 -0.271 OA +ATOM 55 CA PRO A 40 148.984 206.672 179.735 1.00 0.00 0.175 C +ATOM 56 N PRO A 40 148.262 205.852 180.715 1.00 0.00 -0.329 N +ATOM 57 CB PRO A 40 148.113 207.928 179.631 1.00 0.00 0.037 C +ATOM 58 CG PRO A 40 147.426 208.018 180.943 1.00 0.00 0.024 C +ATOM 59 CD PRO A 40 147.169 206.602 181.359 1.00 0.00 0.121 C +ATOM 60 CB CYS A 41 151.794 208.190 183.350 1.00 0.00 0.116 C +ATOM 61 SG CYS A 41 150.551 209.496 183.450 1.00 0.00 -0.092 SA +ATOM 62 CA CYS A 41 151.951 207.624 181.940 1.00 0.00 0.183 C +ATOM 63 C CYS A 41 153.016 206.531 181.930 1.00 0.00 0.244 C +ATOM 64 N CYS A 41 150.660 207.145 181.450 1.00 0.00 -0.343 N +ATOM 65 O CYS A 41 152.841 205.474 182.532 1.00 0.00 -0.272 OA +ATOM 66 H CYS A 41 150.101 206.945 182.071 1.00 0.00 0.164 HD +ATOM 67 C GLN A 42 156.344 206.093 182.070 1.00 0.00 0.242 C +ATOM 68 O GLN A 42 156.445 207.166 182.662 1.00 0.00 -0.273 OA +ATOM 69 CA GLN A 42 155.211 205.848 181.081 1.00 0.00 0.171 C +ATOM 70 N GLN A 42 154.123 206.809 181.244 1.00 0.00 -0.343 N +ATOM 71 CB GLN A 42 155.770 205.913 179.655 1.00 0.00 0.045 C +ATOM 72 CG GLN A 42 154.724 205.801 178.560 1.00 0.00 0.102 C +ATOM 73 CD GLN A 42 153.883 204.548 178.682 1.00 0.00 0.217 C +ATOM 74 OE1 GLN A 42 154.346 203.443 178.401 1.00 0.00 -0.275 OA +ATOM 75 NE2 GLN A 42 152.637 204.715 179.106 1.00 0.00 -0.368 N +ATOM 76 HE22 GLN A 42 152.349 205.503 179.295 1.00 0.00 0.159 HD +ATOM 77 HE21 GLN A 42 152.118 204.035 179.193 1.00 0.00 0.159 HD +ATOM 78 H GLN A 42 154.269 207.562 180.856 1.00 0.00 0.164 HD +ATOM 79 C ASN A 43 158.239 205.680 184.436 1.00 0.00 0.242 C +ATOM 80 O ASN A 43 158.953 206.566 184.905 1.00 0.00 -0.273 OA +ATOM 81 CA ASN A 43 158.433 205.211 182.996 1.00 0.00 0.180 C +ATOM 82 N ASN A 43 157.190 205.081 182.242 1.00 0.00 -0.342 N +ATOM 83 CB ASN A 43 159.378 206.171 182.270 1.00 0.00 0.134 C +ATOM 84 CG ASN A 43 159.671 205.734 180.850 1.00 0.00 0.220 C +ATOM 85 OD1 ASN A 43 160.370 204.748 180.624 1.00 0.00 -0.275 OA +ATOM 86 ND2 ASN A 43 159.141 206.470 179.881 1.00 0.00 -0.368 N +ATOM 87 HD22 ASN A 43 159.279 206.262 179.058 1.00 0.00 0.159 HD +ATOM 88 HD21 ASN A 43 158.659 207.155 180.077 1.00 0.00 0.159 HD +ATOM 89 H ASN A 43 157.063 204.292 181.923 1.00 0.00 0.164 HD +ATOM 90 C ARG A 44 156.385 206.705 186.805 1.00 0.00 0.242 C +ATOM 91 O ARG A 44 156.342 207.155 187.949 1.00 0.00 -0.273 OA +ATOM 92 CA ARG A 44 157.003 205.332 186.542 1.00 0.00 0.171 C +ATOM 93 N ARG A 44 157.269 205.079 185.122 1.00 0.00 -0.344 N +ATOM 94 CB ARG A 44 158.284 205.188 187.376 1.00 0.00 0.038 C +ATOM 95 CG ARG A 44 159.000 203.855 187.221 1.00 0.00 0.040 C +ATOM 96 CD ARG A 44 158.152 202.684 187.693 1.00 0.00 0.197 C +ATOM 97 NE ARG A 44 157.479 202.950 188.962 1.00 0.00 -0.278 N +ATOM 98 HE ARG A 44 156.637 203.124 188.938 1.00 0.00 0.260 HD +ATOM 99 CZ ARG A 44 158.074 202.943 190.150 1.00 0.00 0.339 C +ATOM 100 NH1 ARG A 44 159.373 202.692 190.251 1.00 0.00 -0.290 N +ATOM 101 NH2 ARG A 44 157.368 203.196 191.242 1.00 0.00 -0.290 N +ATOM 102 HH12 ARG A 44 159.836 202.527 189.545 1.00 0.00 0.256 HD +ATOM 103 HH11 ARG A 44 159.752 202.690 191.024 1.00 0.00 0.256 HD +ATOM 104 HH22 ARG A 44 156.526 203.361 191.181 1.00 0.00 0.256 HD +ATOM 105 HH21 ARG A 44 157.751 203.195 192.012 1.00 0.00 0.256 HD +ATOM 106 H ARG A 44 156.734 204.502 184.776 1.00 0.00 0.164 HD +ATOM 107 C GLY A 45 153.831 208.344 186.592 1.00 0.00 0.239 C +ATOM 108 O GLY A 45 153.230 207.291 186.379 1.00 0.00 -0.273 OA +ATOM 109 CA GLY A 45 155.173 208.611 185.935 1.00 0.00 0.216 C +ATOM 110 N GLY A 45 155.901 207.366 185.759 1.00 0.00 -0.346 N +ATOM 111 H GLY A 45 155.981 207.114 184.940 1.00 0.00 0.164 HD +ATOM 112 C VAL A 46 150.941 209.764 187.442 1.00 0.00 0.243 C +ATOM 113 O VAL A 46 150.914 210.980 187.257 1.00 0.00 -0.272 OA +ATOM 114 CA VAL A 46 152.122 209.108 188.150 1.00 0.00 0.173 C +ATOM 115 N VAL A 46 153.356 209.293 187.392 1.00 0.00 -0.343 N +ATOM 116 CB VAL A 46 152.242 209.683 189.577 1.00 0.00 0.015 C +ATOM 117 CG1 VAL A 46 150.994 209.363 190.390 1.00 0.00 0.010 C +ATOM 118 CG2 VAL A 46 153.476 209.128 190.267 1.00 0.00 0.010 C +ATOM 119 H VAL A 46 153.731 210.057 187.514 1.00 0.00 0.164 HD +ATOM 120 CB CYS A 47 148.101 208.356 185.552 1.00 0.00 0.116 C +ATOM 121 SG CYS A 47 146.743 208.958 184.514 1.00 0.00 -0.092 SA +ATOM 122 CA CYS A 47 148.768 209.450 186.386 1.00 0.00 0.183 C +ATOM 123 C CYS A 47 147.781 209.993 187.410 1.00 0.00 0.244 C +ATOM 124 N CYS A 47 149.966 208.948 187.049 1.00 0.00 -0.343 N +ATOM 125 O CYS A 47 147.547 209.379 188.448 1.00 0.00 -0.272 OA +ATOM 126 H CYS A 47 149.975 208.094 187.156 1.00 0.00 0.164 HD +ATOM 127 C MET A 48 145.186 212.488 187.161 1.00 0.00 0.242 C +ATOM 128 O MET A 48 145.477 213.175 186.184 1.00 0.00 -0.272 OA +ATOM 129 CA MET A 48 146.273 211.820 187.988 1.00 0.00 0.172 C +ATOM 130 N MET A 48 147.206 211.148 187.100 1.00 0.00 -0.344 N +ATOM 131 CB MET A 48 147.015 212.847 188.847 1.00 0.00 0.046 C +ATOM 132 CG MET A 48 146.134 213.896 189.520 1.00 0.00 0.072 C +ATOM 133 SD MET A 48 147.058 215.058 190.552 1.00 0.00 -0.165 SA +ATOM 134 CE MET A 48 148.603 215.228 189.658 1.00 0.00 0.085 C +ATOM 135 H MET A 48 147.346 211.571 186.364 1.00 0.00 0.164 HD +ATOM 136 C SER A 49 142.697 214.354 187.141 1.00 0.00 0.244 C +ATOM 137 O SER A 49 142.834 214.765 188.292 1.00 0.00 -0.272 OA +ATOM 138 CA SER A 49 142.817 212.868 186.826 1.00 0.00 0.197 C +ATOM 139 N SER A 49 143.933 212.283 187.550 1.00 0.00 -0.342 N +ATOM 140 CB SER A 49 141.511 212.148 187.169 1.00 0.00 0.191 C +ATOM 141 OG SER A 49 141.102 212.428 188.497 1.00 0.00 -0.392 OA +ATOM 142 HG SER A 49 140.980 213.253 188.592 1.00 0.00 0.210 HD +ATOM 143 H SER A 49 143.705 211.809 188.230 1.00 0.00 0.164 HD +ATOM 144 C VAL A 50 140.858 216.872 185.570 1.00 0.00 0.243 C +ATOM 145 O VAL A 50 140.778 216.902 184.344 1.00 0.00 -0.272 OA +ATOM 146 CA VAL A 50 142.183 216.574 186.254 1.00 0.00 0.173 C +ATOM 147 N VAL A 50 142.462 215.151 186.103 1.00 0.00 -0.343 N +ATOM 148 CB VAL A 50 143.290 217.451 185.646 1.00 0.00 0.015 C +ATOM 149 CG1 VAL A 50 143.024 218.921 185.943 1.00 0.00 0.010 C +ATOM 150 CG2 VAL A 50 144.652 217.036 186.182 1.00 0.00 0.010 C +ATOM 151 H VAL A 50 142.458 214.885 185.285 1.00 0.00 0.164 HD +ATOM 152 C GLY A 51 138.001 215.827 185.379 1.00 0.00 0.239 C +ATOM 153 O GLY A 51 138.595 214.810 185.736 1.00 0.00 -0.273 OA +ATOM 154 CA GLY A 51 138.479 217.195 185.823 1.00 0.00 0.216 C +ATOM 155 N GLY A 51 139.818 217.085 186.364 1.00 0.00 -0.346 N +ATOM 156 H GLY A 51 139.863 217.170 187.218 1.00 0.00 0.164 HD +ATOM 157 C PHE A 52 136.879 213.925 182.926 1.00 0.00 0.243 C +ATOM 158 O PHE A 52 136.674 212.741 182.662 1.00 0.00 -0.272 OA +ATOM 159 CA PHE A 52 136.309 214.535 184.206 1.00 0.00 0.175 C +ATOM 160 N PHE A 52 136.939 215.796 184.583 1.00 0.00 -0.343 N +ATOM 161 CB PHE A 52 134.804 214.739 184.037 1.00 0.00 0.070 C +ATOM 162 CG PHE A 52 134.102 215.142 185.300 1.00 0.00 -0.045 A +ATOM 163 CD1 PHE A 52 133.665 214.185 186.200 1.00 0.00 0.004 A +ATOM 164 CD2 PHE A 52 133.874 216.476 185.586 1.00 0.00 0.004 A +ATOM 165 CE1 PHE A 52 133.017 214.553 187.361 1.00 0.00 0.000 A +ATOM 166 CE2 PHE A 52 133.226 216.848 186.746 1.00 0.00 0.000 A +ATOM 167 CZ PHE A 52 132.798 215.886 187.634 1.00 0.00 0.000 A +ATOM 168 H PHE A 52 136.562 216.492 184.248 1.00 0.00 0.164 HD +ATOM 169 C ASP A 53 139.492 214.506 180.497 1.00 0.00 0.242 C +ATOM 170 O ASP A 53 139.914 214.352 179.351 1.00 0.00 -0.273 OA +ATOM 171 CA ASP A 53 138.007 214.305 180.799 1.00 0.00 0.176 C +ATOM 172 N ASP A 53 137.599 214.722 182.142 1.00 0.00 -0.343 N +ATOM 173 CB ASP A 53 137.178 215.063 179.759 1.00 0.00 0.087 C +ATOM 174 CG ASP A 53 137.348 216.566 179.865 1.00 0.00 0.044 C +ATOM 175 OD1 ASP A 53 137.844 217.037 180.911 1.00 0.00 -0.548 OA +ATOM 176 OD2 ASP A 53 136.983 217.278 178.906 1.00 0.00 -0.549 OA +ATOM 177 H ASP A 53 137.866 215.509 182.362 1.00 0.00 0.164 HD +ATOM 178 C GLN A 54 142.559 214.400 182.385 1.00 0.00 0.242 C +ATOM 179 O GLN A 54 142.101 214.171 183.506 1.00 0.00 -0.273 OA +ATOM 180 CA GLN A 54 141.711 215.066 181.309 1.00 0.00 0.171 C +ATOM 181 N GLN A 54 140.282 214.845 181.510 1.00 0.00 -0.343 N +ATOM 182 CB GLN A 54 142.020 216.563 181.264 1.00 0.00 0.045 C +ATOM 183 CG GLN A 54 141.444 217.273 180.051 1.00 0.00 0.102 C +ATOM 184 CD GLN A 54 142.227 218.517 179.680 1.00 0.00 0.217 C +ATOM 185 OE1 GLN A 54 141.674 219.613 179.605 1.00 0.00 -0.275 OA +ATOM 186 NE2 GLN A 54 143.522 218.348 179.436 1.00 0.00 -0.368 N +ATOM 187 HE22 GLN A 54 143.872 217.565 179.493 1.00 0.00 0.159 HD +ATOM 188 HE21 GLN A 54 144.010 219.023 179.222 1.00 0.00 0.159 HD +ATOM 189 H GLN A 54 140.018 214.953 182.322 1.00 0.00 0.164 HD +ATOM 190 C TYR A 55 146.052 214.275 182.944 1.00 0.00 0.243 C +ATOM 191 O TYR A 55 146.293 215.103 182.067 1.00 0.00 -0.272 OA +ATOM 192 CA TYR A 55 144.751 213.491 182.944 1.00 0.00 0.175 C +ATOM 193 N TYR A 55 143.798 214.087 182.021 1.00 0.00 -0.343 N +ATOM 194 CB TYR A 55 145.018 212.027 182.583 1.00 0.00 0.070 C +ATOM 195 CG TYR A 55 145.814 211.823 181.312 1.00 0.00 -0.045 A +ATOM 196 CD1 TYR A 55 147.200 211.744 181.342 1.00 0.00 0.007 A +ATOM 197 CD2 TYR A 55 145.178 211.693 180.084 1.00 0.00 0.007 A +ATOM 198 CE1 TYR A 55 147.930 211.551 180.186 1.00 0.00 0.046 A +ATOM 199 CE2 TYR A 55 145.901 211.499 178.924 1.00 0.00 0.046 A +ATOM 200 CZ TYR A 55 147.275 211.429 178.980 1.00 0.00 0.115 A +ATOM 201 OH TYR A 55 147.996 211.237 177.827 1.00 0.00 -0.507 OA +ATOM 202 HH TYR A 55 148.817 211.214 178.002 1.00 0.00 0.294 HD +ATOM 203 H TYR A 55 144.114 214.213 181.231 1.00 0.00 0.164 HD +ATOM 204 C LYS A 56 149.197 213.612 184.473 1.00 0.00 0.242 C +ATOM 205 O LYS A 56 148.882 212.669 185.194 1.00 0.00 -0.273 OA +ATOM 206 CA LYS A 56 148.167 214.663 184.098 1.00 0.00 0.171 C +ATOM 207 N LYS A 56 146.879 214.008 183.946 1.00 0.00 -0.344 N +ATOM 208 CB LYS A 56 148.097 215.756 185.167 1.00 0.00 0.035 C +ATOM 209 CG LYS A 56 148.647 217.104 184.732 1.00 0.00 0.008 C +ATOM 210 CD LYS A 56 150.152 217.069 184.541 1.00 0.00 0.061 C +ATOM 211 CE LYS A 56 150.682 218.429 184.120 1.00 0.00 0.258 C +ATOM 212 NZ LYS A 56 152.167 218.457 184.049 1.00 0.00 -0.357 N +ATOM 213 HZ1 LYS A 56 152.444 219.265 183.801 1.00 0.00 0.345 HD +ATOM 214 HZ2 LYS A 56 152.513 218.265 184.847 1.00 0.00 0.345 HD +ATOM 215 HZ3 LYS A 56 152.455 217.857 183.457 1.00 0.00 0.345 HD +ATOM 216 H LYS A 56 146.710 213.436 184.566 1.00 0.00 0.164 HD +ATOM 217 CB CYS A 57 152.106 212.237 183.048 1.00 0.00 0.116 C +ATOM 218 SG CYS A 57 151.009 211.057 182.233 1.00 0.00 -0.092 SA +ATOM 219 CA CYS A 57 151.506 212.856 184.309 1.00 0.00 0.183 C +ATOM 220 C CYS A 57 152.586 213.577 185.099 1.00 0.00 0.244 C +ATOM 221 N CYS A 57 150.417 213.764 183.971 1.00 0.00 -0.343 N +ATOM 222 O CYS A 57 153.145 214.573 184.644 1.00 0.00 -0.272 OA +ATOM 223 H CYS A 57 150.642 214.391 183.427 1.00 0.00 0.164 HD +ATOM 224 C ASP A 58 155.228 212.885 186.801 1.00 0.00 0.242 C +ATOM 225 O ASP A 58 155.409 211.712 187.126 1.00 0.00 -0.273 OA +ATOM 226 CA ASP A 58 153.920 213.592 187.140 1.00 0.00 0.176 C +ATOM 227 N ASP A 58 152.859 213.066 186.294 1.00 0.00 -0.343 N +ATOM 228 CB ASP A 58 153.566 213.403 188.613 1.00 0.00 0.087 C +ATOM 229 CG ASP A 58 154.517 214.127 189.540 1.00 0.00 0.044 C +ATOM 230 OD1 ASP A 58 155.528 214.679 189.059 1.00 0.00 -0.548 OA +ATOM 231 OD2 ASP A 58 154.252 214.139 190.758 1.00 0.00 -0.549 OA +ATOM 232 H ASP A 58 152.436 212.404 186.641 1.00 0.00 0.164 HD +ATOM 233 CB CYS A 59 157.693 213.666 184.263 1.00 0.00 0.116 C +ATOM 234 SG CYS A 59 156.506 213.308 182.949 1.00 0.00 -0.092 SA +ATOM 235 CA CYS A 59 157.356 213.023 185.611 1.00 0.00 0.183 C +ATOM 236 C CYS A 59 158.543 213.174 186.560 1.00 0.00 0.244 C +ATOM 237 N CYS A 59 156.130 213.607 186.145 1.00 0.00 -0.343 N +ATOM 238 O CYS A 59 159.679 212.893 186.186 1.00 0.00 -0.272 OA +ATOM 239 H CYS A 59 156.054 214.451 185.994 1.00 0.00 0.164 HD +ATOM 240 C THR A 60 160.290 212.733 188.959 1.00 0.00 0.245 C +ATOM 241 O THR A 60 159.901 211.622 189.316 1.00 0.00 -0.273 OA +ATOM 242 CA THR A 60 159.309 213.891 188.770 1.00 0.00 0.199 C +ATOM 243 N THR A 60 158.268 213.610 187.785 1.00 0.00 -0.341 N +ATOM 244 CB THR A 60 158.681 214.240 190.134 1.00 0.00 0.143 C +ATOM 245 CG2 THR A 60 159.755 214.521 191.183 1.00 0.00 0.041 C +ATOM 246 OG1 THR A 60 157.851 215.399 189.990 1.00 0.00 -0.389 OA +ATOM 247 HG1 THR A 60 157.240 215.247 189.434 1.00 0.00 0.211 HD +ATOM 248 H THR A 60 157.471 213.754 188.075 1.00 0.00 0.164 HD +ATOM 249 C ARG A 61 162.499 210.751 188.172 1.00 0.00 0.242 C +ATOM 250 O ARG A 61 163.055 209.731 188.573 1.00 0.00 -0.273 OA +ATOM 251 CA ARG A 61 162.664 212.076 188.924 1.00 0.00 0.171 C +ATOM 252 N ARG A 61 161.565 213.017 188.706 1.00 0.00 -0.344 N +ATOM 253 CB ARG A 61 162.828 211.807 190.423 1.00 0.00 0.038 C +ATOM 254 CG ARG A 61 163.348 213.004 191.197 1.00 0.00 0.040 C +ATOM 255 CD ARG A 61 163.608 212.666 192.654 1.00 0.00 0.197 C +ATOM 256 NE ARG A 61 162.371 212.434 193.392 1.00 0.00 -0.278 N +ATOM 257 HE ARG A 61 162.134 211.619 193.532 1.00 0.00 0.260 HD +ATOM 258 CZ ARG A 61 161.588 213.398 193.863 1.00 0.00 0.339 C +ATOM 259 NH1 ARG A 61 161.902 214.673 193.670 1.00 0.00 -0.290 N +ATOM 260 NH2 ARG A 61 160.482 213.090 194.523 1.00 0.00 -0.290 N +ATOM 261 HH12 ARG A 61 162.618 214.879 193.241 1.00 0.00 0.256 HD +ATOM 262 HH11 ARG A 61 161.390 215.293 193.975 1.00 0.00 0.256 HD +ATOM 263 HH22 ARG A 61 160.273 212.265 194.650 1.00 0.00 0.256 HD +ATOM 264 HH21 ARG A 61 159.974 213.714 194.826 1.00 0.00 0.256 HD +ATOM 265 H ARG A 61 161.828 213.776 188.397 1.00 0.00 0.164 HD +ATOM 266 C THR A 62 162.693 209.435 185.221 1.00 0.00 0.245 C +ATOM 267 O THR A 62 162.958 208.335 184.739 1.00 0.00 -0.273 OA +ATOM 268 CA THR A 62 161.575 209.584 186.248 1.00 0.00 0.199 C +ATOM 269 N THR A 62 161.757 210.776 187.071 1.00 0.00 -0.341 N +ATOM 270 CB THR A 62 160.232 209.610 185.499 1.00 0.00 0.143 C +ATOM 271 CG2 THR A 62 159.071 209.604 186.483 1.00 0.00 0.041 C +ATOM 272 OG1 THR A 62 160.160 210.780 184.674 1.00 0.00 -0.389 OA +ATOM 273 HG1 THR A 62 160.224 211.470 185.148 1.00 0.00 0.211 HD +ATOM 274 H THR A 62 161.346 211.472 186.778 1.00 0.00 0.164 HD +ATOM 275 C GLY A 63 163.766 210.931 182.510 1.00 0.00 0.239 C +ATOM 276 O GLY A 63 164.478 211.016 181.510 1.00 0.00 -0.273 OA +ATOM 277 CA GLY A 63 164.361 210.567 183.858 1.00 0.00 0.216 C +ATOM 278 N GLY A 63 163.347 210.546 184.895 1.00 0.00 -0.346 N +ATOM 279 H GLY A 63 163.215 211.310 185.267 1.00 0.00 0.164 HD +ATOM 280 C PHE A 64 160.872 212.718 181.501 1.00 0.00 0.243 C +ATOM 281 O PHE A 64 160.620 213.103 182.642 1.00 0.00 -0.272 OA +ATOM 282 CA PHE A 64 161.735 211.484 181.268 1.00 0.00 0.175 C +ATOM 283 N PHE A 64 162.454 211.142 182.489 1.00 0.00 -0.343 N +ATOM 284 CB PHE A 64 160.858 210.317 180.806 1.00 0.00 0.070 C +ATOM 285 CG PHE A 64 161.618 209.047 180.541 1.00 0.00 -0.045 A +ATOM 286 CD1 PHE A 64 162.154 208.312 181.584 1.00 0.00 0.004 A +ATOM 287 CD2 PHE A 64 161.777 208.577 179.248 1.00 0.00 0.004 A +ATOM 288 CE1 PHE A 64 162.847 207.146 181.342 1.00 0.00 0.000 A +ATOM 289 CE2 PHE A 64 162.468 207.408 179.002 1.00 0.00 0.000 A +ATOM 290 CZ PHE A 64 163.002 206.692 180.050 1.00 0.00 0.000 A +ATOM 291 H PHE A 64 161.949 211.092 183.183 1.00 0.00 0.164 HD +ATOM 292 C TYR A 65 158.520 214.317 179.294 1.00 0.00 0.243 C +ATOM 293 O TYR A 65 158.617 213.382 178.503 1.00 0.00 -0.272 OA +ATOM 294 CA TYR A 65 159.490 214.442 180.462 1.00 0.00 0.175 C +ATOM 295 N TYR A 65 160.434 213.335 180.409 1.00 0.00 -0.343 N +ATOM 296 CB TYR A 65 160.216 215.787 180.422 1.00 0.00 0.070 C +ATOM 297 CG TYR A 65 161.055 215.993 179.185 1.00 0.00 -0.045 A +ATOM 298 CD1 TYR A 65 162.388 215.609 179.156 1.00 0.00 0.007 A +ATOM 299 CD2 TYR A 65 160.515 216.573 178.045 1.00 0.00 0.007 A +ATOM 300 CE1 TYR A 65 163.161 215.796 178.026 1.00 0.00 0.046 A +ATOM 301 CE2 TYR A 65 161.281 216.764 176.909 1.00 0.00 0.046 A +ATOM 302 CZ TYR A 65 162.603 216.374 176.905 1.00 0.00 0.115 A +ATOM 303 OH TYR A 65 163.369 216.562 175.777 1.00 0.00 -0.507 OA +ATOM 304 HH TYR A 65 162.908 216.921 175.174 1.00 0.00 0.294 HD +ATOM 305 H TYR A 65 160.675 213.125 179.610 1.00 0.00 0.164 HD +ATOM 306 C GLY A 66 155.225 214.863 178.709 1.00 0.00 0.239 C +ATOM 307 O GLY A 66 155.097 214.578 179.899 1.00 0.00 -0.273 OA +ATOM 308 CA GLY A 66 156.582 215.235 178.149 1.00 0.00 0.216 C +ATOM 309 N GLY A 66 157.588 215.259 179.193 1.00 0.00 -0.346 N +ATOM 310 H GLY A 66 157.520 215.930 179.727 1.00 0.00 0.164 HD +ATOM 311 C GLU A 67 152.701 213.240 178.944 1.00 0.00 0.242 C +ATOM 312 O GLU A 67 152.034 213.117 179.969 1.00 0.00 -0.273 OA +ATOM 313 CA GLU A 67 152.842 214.602 178.273 1.00 0.00 0.171 C +ATOM 314 N GLU A 67 154.214 214.858 177.847 1.00 0.00 -0.344 N +ATOM 315 CB GLU A 67 151.886 214.691 177.082 1.00 0.00 0.041 C +ATOM 316 CG GLU A 67 150.416 214.568 177.464 1.00 0.00 0.055 C +ATOM 317 CD GLU A 67 149.486 214.643 176.269 1.00 0.00 0.041 C +ATOM 318 OE1 GLU A 67 149.949 215.009 175.167 1.00 0.00 -0.548 OA +ATOM 319 OE2 GLU A 67 148.287 214.333 176.434 1.00 0.00 -0.549 OA +ATOM 320 H GLU A 67 154.296 215.002 177.003 1.00 0.00 0.164 HD +ATOM 321 C ASN A 68 154.580 210.361 179.444 1.00 0.00 0.242 C +ATOM 322 O ASN A 68 154.793 209.156 179.567 1.00 0.00 -0.273 OA +ATOM 323 CA ASN A 68 153.251 210.858 178.875 1.00 0.00 0.180 C +ATOM 324 N ASN A 68 153.330 212.223 178.360 1.00 0.00 -0.342 N +ATOM 325 CB ASN A 68 152.776 209.908 177.771 1.00 0.00 0.134 C +ATOM 326 CG ASN A 68 151.365 210.213 177.306 1.00 0.00 0.220 C +ATOM 327 OD1 ASN A 68 150.501 210.576 178.103 1.00 0.00 -0.275 OA +ATOM 328 ND2 ASN A 68 151.124 210.063 176.010 1.00 0.00 -0.368 N +ATOM 329 HD22 ASN A 68 150.340 210.223 175.697 1.00 0.00 0.159 HD +ATOM 330 HD21 ASN A 68 151.753 209.805 175.483 1.00 0.00 0.159 HD +ATOM 331 H ASN A 68 153.816 212.300 177.655 1.00 0.00 0.164 HD +ATOM 332 CB CYS A 69 156.614 210.308 181.741 1.00 0.00 0.116 C +ATOM 333 SG CYS A 69 155.873 211.377 183.001 1.00 0.00 -0.092 SA +ATOM 334 CA CYS A 69 156.771 210.947 180.355 1.00 0.00 0.183 C +ATOM 335 C CYS A 69 157.536 210.001 179.433 1.00 0.00 0.244 C +ATOM 336 N CYS A 69 155.465 211.291 179.794 1.00 0.00 -0.343 N +ATOM 337 O CYS A 69 158.149 209.038 179.893 1.00 0.00 -0.272 OA +ATOM 338 H CYS A 69 155.332 212.137 179.715 1.00 0.00 0.164 HD +ATOM 339 C SER A 70 159.399 209.869 176.584 1.00 0.00 0.244 C +ATOM 340 O SER A 70 160.208 209.067 176.116 1.00 0.00 -0.272 OA +ATOM 341 CA SER A 70 158.058 209.388 177.127 1.00 0.00 0.197 C +ATOM 342 N SER A 70 157.499 210.285 178.135 1.00 0.00 -0.342 N +ATOM 343 CB SER A 70 157.070 209.223 175.973 1.00 0.00 0.191 C +ATOM 344 OG SER A 70 155.887 208.579 176.410 1.00 0.00 -0.392 OA +ATOM 345 HG SER A 70 155.352 208.494 175.768 1.00 0.00 0.210 HD +ATOM 346 H SER A 70 157.152 211.001 177.808 1.00 0.00 0.164 HD +ATOM 347 C THR A 71 161.990 211.706 177.134 1.00 0.00 0.245 C +ATOM 348 O THR A 71 161.904 212.351 178.175 1.00 0.00 -0.273 OA +ATOM 349 CA THR A 71 160.858 211.757 176.105 1.00 0.00 0.199 C +ATOM 350 N THR A 71 159.634 211.175 176.646 1.00 0.00 -0.341 N +ATOM 351 CB THR A 71 160.642 213.213 175.681 1.00 0.00 0.143 C +ATOM 352 CG2 THR A 71 161.811 213.704 174.838 1.00 0.00 0.041 C +ATOM 353 OG1 THR A 71 159.430 213.315 174.924 1.00 0.00 -0.389 OA +ATOM 354 HG1 THR A 71 159.304 214.111 174.688 1.00 0.00 0.211 HD +ATOM 355 H THR A 71 159.099 211.749 176.998 1.00 0.00 0.164 HD +ATOM 356 C PRO A 72 164.988 212.106 177.936 1.00 0.00 0.243 C +ATOM 357 O PRO A 72 165.149 212.829 176.955 1.00 0.00 -0.271 OA +ATOM 358 CA PRO A 72 164.157 210.835 177.820 1.00 0.00 0.175 C +ATOM 359 N PRO A 72 163.065 210.948 176.845 1.00 0.00 -0.329 N +ATOM 360 CB PRO A 72 165.003 209.693 177.260 1.00 0.00 0.037 C +ATOM 361 CG PRO A 72 164.783 209.762 175.798 1.00 0.00 0.024 C +ATOM 362 CD PRO A 72 163.354 210.186 175.617 1.00 0.00 0.121 C +ATOM 363 C GLU A 73 167.797 213.058 178.730 1.00 0.00 0.242 C +ATOM 364 O GLU A 73 167.979 211.911 178.318 1.00 0.00 -0.273 OA +ATOM 365 CA GLU A 73 166.451 213.461 179.322 1.00 0.00 0.171 C +ATOM 366 N GLU A 73 165.509 212.369 179.128 1.00 0.00 -0.344 N +ATOM 367 CB GLU A 73 166.586 213.804 180.805 1.00 0.00 0.041 C +ATOM 368 CG GLU A 73 165.284 214.263 181.444 1.00 0.00 0.055 C +ATOM 369 CD GLU A 73 165.398 214.462 182.943 1.00 0.00 0.041 C +ATOM 370 OE1 GLU A 73 166.302 213.862 183.561 1.00 0.00 -0.548 OA +ATOM 371 OE2 GLU A 73 164.581 215.222 183.503 1.00 0.00 -0.549 OA +ATOM 372 H GLU A 73 165.332 211.927 179.845 1.00 0.00 0.164 HD +ATOM 373 C PHE A 74 170.760 212.579 178.723 1.00 0.00 0.243 C +ATOM 374 O PHE A 74 171.256 211.680 178.045 1.00 0.00 -0.272 OA +ATOM 375 CA PHE A 74 170.031 213.745 178.060 1.00 0.00 0.175 C +ATOM 376 N PHE A 74 168.737 213.996 178.684 1.00 0.00 -0.343 N +ATOM 377 CB PHE A 74 170.900 215.004 178.111 1.00 0.00 0.070 C +ATOM 378 CG PHE A 74 172.261 214.820 177.507 1.00 0.00 -0.045 A +ATOM 379 CD1 PHE A 74 173.398 214.875 178.294 1.00 0.00 0.004 A +ATOM 380 CD2 PHE A 74 172.401 214.572 176.154 1.00 0.00 0.004 A +ATOM 381 CE1 PHE A 74 174.649 214.698 177.737 1.00 0.00 0.000 A +ATOM 382 CE2 PHE A 74 173.648 214.394 175.596 1.00 0.00 0.000 A +ATOM 383 CZ PHE A 74 174.773 214.457 176.388 1.00 0.00 0.000 A +ATOM 384 H PHE A 74 168.649 214.788 179.008 1.00 0.00 0.164 HD +ATOM 385 C LEU A 75 170.779 210.186 180.591 1.00 0.00 0.243 C +ATOM 386 O LEU A 75 171.435 209.153 180.457 1.00 0.00 -0.272 OA +ATOM 387 CA LEU A 75 171.471 211.526 180.803 1.00 0.00 0.172 C +ATOM 388 N LEU A 75 170.823 212.596 180.050 1.00 0.00 -0.345 N +ATOM 389 CB LEU A 75 171.492 211.862 182.294 1.00 0.00 0.038 C +ATOM 390 CG LEU A 75 172.624 212.756 182.816 1.00 0.00 -0.015 C +ATOM 391 CD1 LEU A 75 173.189 213.689 181.748 1.00 0.00 0.007 C +ATOM 392 CD2 LEU A 75 172.132 213.551 184.019 1.00 0.00 0.007 C +ATOM 393 H LEU A 75 170.496 213.221 180.542 1.00 0.00 0.165 HD +ATOM 394 C THR A 76 168.957 208.331 179.068 1.00 0.00 0.245 C +ATOM 395 O THR A 76 168.979 207.106 178.975 1.00 0.00 -0.273 OA +ATOM 396 CA THR A 76 168.664 209.000 180.406 1.00 0.00 0.199 C +ATOM 397 N THR A 76 169.452 210.214 180.565 1.00 0.00 -0.341 N +ATOM 398 CB THR A 76 167.160 209.298 180.512 1.00 0.00 0.143 C +ATOM 399 CG2 THR A 76 166.347 208.010 180.474 1.00 0.00 0.041 C +ATOM 400 OG1 THR A 76 166.900 209.990 181.738 1.00 0.00 -0.389 OA +ATOM 401 HG1 THR A 76 166.079 210.157 181.805 1.00 0.00 0.211 HD +ATOM 402 H THR A 76 168.981 210.929 180.639 1.00 0.00 0.164 HD +ATOM 403 C ARG A 77 170.836 207.834 176.773 1.00 0.00 0.242 C +ATOM 404 O ARG A 77 170.945 206.768 176.171 1.00 0.00 -0.273 OA +ATOM 405 CA ARG A 77 169.543 208.627 176.719 1.00 0.00 0.171 C +ATOM 406 N ARG A 77 169.180 209.141 178.036 1.00 0.00 -0.344 N +ATOM 407 CB ARG A 77 169.689 209.768 175.713 1.00 0.00 0.038 C +ATOM 408 CG ARG A 77 168.394 210.145 175.039 1.00 0.00 0.040 C +ATOM 409 CD ARG A 77 168.600 211.178 173.949 1.00 0.00 0.197 C +ATOM 410 NE ARG A 77 167.316 211.669 173.463 1.00 0.00 -0.278 N +ATOM 411 HE ARG A 77 167.102 212.482 173.643 1.00 0.00 0.260 HD +ATOM 412 CZ ARG A 77 166.484 210.960 172.709 1.00 0.00 0.339 C +ATOM 413 NH1 ARG A 77 166.799 209.722 172.346 1.00 0.00 -0.290 N +ATOM 414 NH2 ARG A 77 165.333 211.487 172.318 1.00 0.00 -0.290 N +ATOM 415 HH12 ARG A 77 167.544 209.377 172.600 1.00 0.00 0.256 HD +ATOM 416 HH11 ARG A 77 166.258 209.267 171.857 1.00 0.00 0.256 HD +ATOM 417 HH22 ARG A 77 165.127 212.289 172.550 1.00 0.00 0.256 HD +ATOM 418 HH21 ARG A 77 164.795 211.029 171.827 1.00 0.00 0.256 HD +ATOM 419 H ARG A 77 169.126 209.998 178.074 1.00 0.00 0.164 HD +ATOM 420 C ILE A 78 172.993 206.404 178.357 1.00 0.00 0.243 C +ATOM 421 O ILE A 78 173.480 205.377 177.889 1.00 0.00 -0.272 OA +ATOM 422 CA ILE A 78 173.115 207.724 177.607 1.00 0.00 0.174 C +ATOM 423 N ILE A 78 171.816 208.367 177.493 1.00 0.00 -0.343 N +ATOM 424 CB ILE A 78 174.133 208.639 178.315 1.00 0.00 0.018 C +ATOM 425 CG2 ILE A 78 175.448 207.896 178.562 1.00 0.00 0.010 C +ATOM 426 CG1 ILE A 78 174.372 209.891 177.463 1.00 0.00 0.002 C +ATOM 427 CD1 ILE A 78 175.328 210.900 178.067 1.00 0.00 0.004 C +ATOM 428 H ILE A 78 171.751 209.106 177.928 1.00 0.00 0.164 HD +ATOM 429 C LYS A 79 171.408 204.163 179.495 1.00 0.00 0.242 C +ATOM 430 O LYS A 79 171.841 203.012 179.442 1.00 0.00 -0.273 OA +ATOM 431 CA LYS A 79 172.129 205.230 180.311 1.00 0.00 0.171 C +ATOM 432 N LYS A 79 172.345 206.437 179.517 1.00 0.00 -0.344 N +ATOM 433 CB LYS A 79 171.325 205.552 181.571 1.00 0.00 0.035 C +ATOM 434 CG LYS A 79 172.073 206.393 182.591 1.00 0.00 0.008 C +ATOM 435 CD LYS A 79 171.121 207.051 183.579 1.00 0.00 0.061 C +ATOM 436 CE LYS A 79 170.269 206.031 184.320 1.00 0.00 0.258 C +ATOM 437 NZ LYS A 79 169.370 206.682 185.313 1.00 0.00 -0.357 N +ATOM 438 HZ1 LYS A 79 168.884 206.066 185.733 1.00 0.00 0.345 HD +ATOM 439 HZ2 LYS A 79 169.853 207.127 185.914 1.00 0.00 0.345 HD +ATOM 440 HZ3 LYS A 79 168.824 207.251 184.902 1.00 0.00 0.345 HD +ATOM 441 H LYS A 79 172.018 207.150 179.870 1.00 0.00 0.164 HD +ATOM 442 C LEU A 80 170.346 202.993 176.945 1.00 0.00 0.243 C +ATOM 443 O LEU A 80 170.124 201.836 176.589 1.00 0.00 -0.272 OA +ATOM 444 CA LEU A 80 169.516 203.646 178.041 1.00 0.00 0.172 C +ATOM 445 N LEU A 80 170.310 204.558 178.859 1.00 0.00 -0.345 N +ATOM 446 CB LEU A 80 168.337 204.389 177.412 1.00 0.00 0.038 C +ATOM 447 CG LEU A 80 167.026 204.372 178.199 1.00 0.00 -0.015 C +ATOM 448 CD1 LEU A 80 166.053 205.392 177.632 1.00 0.00 0.007 C +ATOM 449 CD2 LEU A 80 166.411 202.978 178.176 1.00 0.00 0.007 C +ATOM 450 H LEU A 80 169.999 205.360 178.885 1.00 0.00 0.165 HD +ATOM 451 C PHE A 81 173.206 202.316 175.749 1.00 0.00 0.243 C +ATOM 452 O PHE A 81 173.634 201.452 174.987 1.00 0.00 -0.272 OA +ATOM 453 CA PHE A 81 172.111 203.277 175.296 1.00 0.00 0.175 C +ATOM 454 N PHE A 81 171.303 203.743 176.413 1.00 0.00 -0.343 N +ATOM 455 CB PHE A 81 172.727 204.469 174.563 1.00 0.00 0.070 C +ATOM 456 CG PHE A 81 173.652 204.081 173.449 1.00 0.00 -0.045 A +ATOM 457 CD1 PHE A 81 173.150 203.672 172.225 1.00 0.00 0.004 A +ATOM 458 CD2 PHE A 81 175.025 204.124 173.624 1.00 0.00 0.004 A +ATOM 459 CE1 PHE A 81 174.000 203.314 171.198 1.00 0.00 0.000 A +ATOM 460 CE2 PHE A 81 175.878 203.768 172.600 1.00 0.00 0.000 A +ATOM 461 CZ PHE A 81 175.366 203.362 171.386 1.00 0.00 0.000 A +ATOM 462 H PHE A 81 171.505 204.534 176.684 1.00 0.00 0.164 HD +ATOM 463 C LEU A 82 174.189 200.454 178.338 1.00 0.00 0.243 C +ATOM 464 O LEU A 82 174.930 199.517 178.636 1.00 0.00 -0.272 OA +ATOM 465 CA LEU A 82 174.726 201.633 177.530 1.00 0.00 0.172 C +ATOM 466 N LEU A 82 173.654 202.466 176.992 1.00 0.00 -0.345 N +ATOM 467 CB LEU A 82 175.663 202.474 178.401 1.00 0.00 0.038 C +ATOM 468 CG LEU A 82 176.335 203.666 177.708 1.00 0.00 -0.015 C +ATOM 469 CD1 LEU A 82 177.295 204.362 178.660 1.00 0.00 0.007 C +ATOM 470 CD2 LEU A 82 177.056 203.240 176.434 1.00 0.00 0.007 C +ATOM 471 H LEU A 82 173.351 203.047 177.548 1.00 0.00 0.165 HD +ATOM 472 C LYS A 83 172.119 198.162 178.641 1.00 0.00 0.242 C +ATOM 473 O LYS A 83 171.475 198.199 177.595 1.00 0.00 -0.273 OA +ATOM 474 CA LYS A 83 172.299 199.434 179.475 1.00 0.00 0.171 C +ATOM 475 N LYS A 83 172.908 200.498 178.684 1.00 0.00 -0.344 N +ATOM 476 CB LYS A 83 170.947 199.885 180.028 1.00 0.00 0.035 C +ATOM 477 CG LYS A 83 170.305 198.875 180.971 1.00 0.00 0.008 C +ATOM 478 CD LYS A 83 169.108 199.468 181.695 1.00 0.00 0.061 C +ATOM 479 CE LYS A 83 168.536 198.491 182.711 1.00 0.00 0.258 C +ATOM 480 NZ LYS A 83 167.614 197.501 182.090 1.00 0.00 -0.357 N +ATOM 481 HZ1 LYS A 83 167.299 196.947 182.711 1.00 0.00 0.345 HD +ATOM 482 HZ2 LYS A 83 166.931 197.921 181.704 1.00 0.00 0.345 HD +ATOM 483 HZ3 LYS A 83 168.048 197.027 181.473 1.00 0.00 0.345 HD +ATOM 484 H LYS A 83 172.368 201.133 178.474 1.00 0.00 0.164 HD +ATOM 485 C PRO A 84 171.138 195.114 178.719 1.00 0.00 0.243 C +ATOM 486 O PRO A 84 170.638 195.317 179.825 1.00 0.00 -0.271 OA +ATOM 487 CA PRO A 84 172.465 195.774 178.361 1.00 0.00 0.175 C +ATOM 488 N PRO A 84 172.680 197.025 179.098 1.00 0.00 -0.329 N +ATOM 489 CB PRO A 84 173.647 194.896 178.800 1.00 0.00 0.037 C +ATOM 490 CG PRO A 84 174.346 195.648 179.917 1.00 0.00 0.024 C +ATOM 491 CD PRO A 84 173.493 196.803 180.303 1.00 0.00 0.121 C +ATOM 492 C THR A 85 169.520 192.583 179.144 1.00 0.00 0.245 C +ATOM 493 O THR A 85 170.582 191.970 179.218 1.00 0.00 -0.273 OA +ATOM 494 CA THR A 85 169.320 193.645 178.060 1.00 0.00 0.199 C +ATOM 495 N THR A 85 170.577 194.337 177.798 1.00 0.00 -0.341 N +ATOM 496 CB THR A 85 168.760 192.971 176.791 1.00 0.00 0.143 C +ATOM 497 CG2 THR A 85 168.461 194.003 175.719 1.00 0.00 0.041 C +ATOM 498 OG1 THR A 85 169.708 192.021 176.284 1.00 0.00 -0.389 OA +ATOM 499 HG1 THR A 85 169.404 191.653 175.592 1.00 0.00 0.211 HD +ATOM 500 H THR A 85 170.904 194.195 177.016 1.00 0.00 0.164 HD +ATOM 501 C PRO A 86 168.987 189.964 180.478 1.00 0.00 0.243 C +ATOM 502 O PRO A 86 169.737 189.231 181.123 1.00 0.00 -0.271 OA +ATOM 503 CA PRO A 86 168.601 191.332 181.036 1.00 0.00 0.175 C +ATOM 504 N PRO A 86 168.504 192.369 180.000 1.00 0.00 -0.329 N +ATOM 505 CB PRO A 86 167.192 191.305 181.628 1.00 0.00 0.037 C +ATOM 506 CG PRO A 86 166.688 192.684 181.430 1.00 0.00 0.024 C +ATOM 507 CD PRO A 86 167.257 193.145 180.122 1.00 0.00 0.121 C +ATOM 508 C ASN A 87 170.318 188.297 178.340 1.00 0.00 0.242 C +ATOM 509 O ASN A 87 170.908 187.217 178.385 1.00 0.00 -0.273 OA +ATOM 510 CA ASN A 87 168.826 188.378 178.635 1.00 0.00 0.180 C +ATOM 511 N ASN A 87 168.478 189.631 179.295 1.00 0.00 -0.342 N +ATOM 512 CB ASN A 87 168.028 188.219 177.341 1.00 0.00 0.134 C +ATOM 513 CG ASN A 87 166.572 187.881 177.592 1.00 0.00 0.220 C +ATOM 514 OD1 ASN A 87 166.125 187.820 178.737 1.00 0.00 -0.275 OA +ATOM 515 ND2 ASN A 87 165.823 187.665 176.519 1.00 0.00 -0.368 N +ATOM 516 HD22 ASN A 87 164.990 187.470 176.608 1.00 0.00 0.159 HD +ATOM 517 HD21 ASN A 87 166.169 187.721 175.734 1.00 0.00 0.159 HD +ATOM 518 H ASN A 87 167.925 190.118 178.852 1.00 0.00 0.164 HD +ATOM 519 C THR A 88 173.104 189.314 179.118 1.00 0.00 0.245 C +ATOM 520 O THR A 88 174.040 188.519 179.199 1.00 0.00 -0.273 OA +ATOM 521 CA THR A 88 172.361 189.512 177.804 1.00 0.00 0.199 C +ATOM 522 N THR A 88 170.922 189.441 178.037 1.00 0.00 -0.341 N +ATOM 523 CB THR A 88 172.769 190.863 177.169 1.00 0.00 0.143 C +ATOM 524 CG2 THR A 88 174.286 191.034 177.155 1.00 0.00 0.041 C +ATOM 525 OG1 THR A 88 172.276 190.928 175.825 1.00 0.00 -0.389 OA +ATOM 526 HG1 THR A 88 171.439 190.864 175.823 1.00 0.00 0.211 HD +ATOM 527 H THR A 88 170.518 190.196 177.960 1.00 0.00 0.164 HD +ATOM 528 C VAL A 89 173.154 188.478 181.968 1.00 0.00 0.243 C +ATOM 529 O VAL A 89 174.094 187.950 182.562 1.00 0.00 -0.272 OA +ATOM 530 CA VAL A 89 173.248 189.918 181.478 1.00 0.00 0.173 C +ATOM 531 N VAL A 89 172.679 190.048 180.142 1.00 0.00 -0.343 N +ATOM 532 CB VAL A 89 172.533 190.845 182.486 1.00 0.00 0.015 C +ATOM 533 CG1 VAL A 89 173.075 190.642 183.897 1.00 0.00 0.010 C +ATOM 534 CG2 VAL A 89 172.683 192.295 182.066 1.00 0.00 0.010 C +ATOM 535 H VAL A 89 172.053 190.635 180.088 1.00 0.00 0.164 HD +ATOM 536 C HIS A 90 172.701 185.507 181.415 1.00 0.00 0.242 C +ATOM 537 O HIS A 90 173.205 184.552 182.004 1.00 0.00 -0.272 OA +ATOM 538 CA HIS A 90 171.790 186.478 182.156 1.00 0.00 0.177 C +ATOM 539 N HIS A 90 172.012 187.848 181.717 1.00 0.00 -0.343 N +ATOM 540 CB HIS A 90 170.329 186.076 181.955 1.00 0.00 0.093 C +ATOM 541 CG HIS A 90 170.019 184.689 182.425 1.00 0.00 0.061 A +ATOM 542 ND1 HIS A 90 170.121 183.585 181.607 1.00 0.00 -0.242 NA +ATOM 543 CD2 HIS A 90 169.620 184.226 183.633 1.00 0.00 0.107 A +ATOM 544 CE1 HIS A 90 169.792 182.502 182.289 1.00 0.00 0.196 A +ATOM 545 NE2 HIS A 90 169.483 182.864 183.521 1.00 0.00 -0.350 N +ATOM 546 HE2 HIS A 90 169.237 182.333 184.151 1.00 0.00 0.167 HD +ATOM 547 H HIS A 90 171.348 188.195 181.294 1.00 0.00 0.164 HD +ATOM 548 C TYR A 91 175.216 185.000 179.901 1.00 0.00 0.243 C +ATOM 549 O TYR A 91 175.882 183.982 180.083 1.00 0.00 -0.272 OA +ATOM 550 CA TYR A 91 173.809 184.927 179.329 1.00 0.00 0.175 C +ATOM 551 N TYR A 91 172.904 185.749 180.124 1.00 0.00 -0.343 N +ATOM 552 CB TYR A 91 173.819 185.378 177.867 1.00 0.00 0.070 C +ATOM 553 CG TYR A 91 174.803 184.613 177.008 1.00 0.00 -0.045 A +ATOM 554 CD1 TYR A 91 174.402 183.500 176.283 1.00 0.00 0.007 A +ATOM 555 CD2 TYR A 91 176.136 184.999 176.931 1.00 0.00 0.007 A +ATOM 556 CE1 TYR A 91 175.298 182.795 175.504 1.00 0.00 0.046 A +ATOM 557 CE2 TYR A 91 177.039 184.299 176.155 1.00 0.00 0.046 A +ATOM 558 CZ TYR A 91 176.614 183.198 175.443 1.00 0.00 0.115 A +ATOM 559 OH TYR A 91 177.509 182.498 174.667 1.00 0.00 -0.507 OA +ATOM 560 HH TYR A 91 178.271 182.848 174.719 1.00 0.00 0.294 HD +ATOM 561 H TYR A 91 172.527 186.385 179.683 1.00 0.00 0.164 HD +ATOM 562 C ILE A 92 177.194 185.797 182.057 1.00 0.00 0.243 C +ATOM 563 O ILE A 92 178.249 185.223 182.326 1.00 0.00 -0.272 OA +ATOM 564 CA ILE A 92 176.994 186.468 180.701 1.00 0.00 0.174 C +ATOM 565 N ILE A 92 175.659 186.221 180.177 1.00 0.00 -0.343 N +ATOM 566 CB ILE A 92 177.253 187.984 180.820 1.00 0.00 0.018 C +ATOM 567 CG2 ILE A 92 178.513 188.275 181.639 1.00 0.00 0.010 C +ATOM 568 CG1 ILE A 92 177.385 188.595 179.423 1.00 0.00 0.002 C +ATOM 569 CD1 ILE A 92 177.160 190.085 179.381 1.00 0.00 0.004 C +ATOM 570 H ILE A 92 175.195 186.936 180.065 1.00 0.00 0.164 HD +ATOM 571 C LEU A 93 176.161 183.810 184.281 1.00 0.00 0.243 C +ATOM 572 O LEU A 93 176.622 183.169 185.224 1.00 0.00 -0.272 OA +ATOM 573 CA LEU A 93 176.267 185.332 184.258 1.00 0.00 0.172 C +ATOM 574 N LEU A 93 176.175 185.872 182.906 1.00 0.00 -0.345 N +ATOM 575 CB LEU A 93 175.182 185.945 185.147 1.00 0.00 0.038 C +ATOM 576 CG LEU A 93 175.511 187.326 185.718 1.00 0.00 -0.015 C +ATOM 577 CD1 LEU A 93 174.256 188.025 186.200 1.00 0.00 0.007 C +ATOM 578 CD2 LEU A 93 176.513 187.202 186.852 1.00 0.00 0.007 C +ATOM 579 H LEU A 93 175.416 186.232 182.723 1.00 0.00 0.165 HD +ATOM 580 C THR A 94 176.345 181.126 182.198 1.00 0.00 0.245 C +ATOM 581 O THR A 94 176.210 179.946 181.877 1.00 0.00 -0.273 OA +ATOM 582 CA THR A 94 175.367 181.787 183.171 1.00 0.00 0.199 C +ATOM 583 N THR A 94 175.561 183.234 183.243 1.00 0.00 -0.341 N +ATOM 584 CB THR A 94 173.928 181.441 182.755 1.00 0.00 0.143 C +ATOM 585 CG2 THR A 94 172.938 181.932 183.808 1.00 0.00 0.041 C +ATOM 586 OG1 THR A 94 173.628 182.050 181.493 1.00 0.00 -0.389 OA +ATOM 587 HG1 THR A 94 173.703 182.885 181.552 1.00 0.00 0.211 HD +ATOM 588 H THR A 94 175.255 183.662 182.563 1.00 0.00 0.164 HD +ATOM 589 C HIS A 95 179.754 181.787 181.427 1.00 0.00 0.242 C +ATOM 590 O HIS A 95 179.837 182.455 182.455 1.00 0.00 -0.272 OA +ATOM 591 CA HIS A 95 178.393 181.373 180.882 1.00 0.00 0.177 C +ATOM 592 N HIS A 95 177.329 181.893 181.737 1.00 0.00 -0.343 N +ATOM 593 CB HIS A 95 178.228 181.872 179.444 1.00 0.00 0.090 C +ATOM 594 CG HIS A 95 177.075 181.253 178.718 1.00 0.00 0.037 A +ATOM 595 ND1 HIS A 95 175.762 181.531 179.029 1.00 0.00 -0.347 N +ATOM 596 CD2 HIS A 95 177.040 180.367 177.696 1.00 0.00 0.134 A +ATOM 597 HD1 HIS A 95 175.500 182.069 179.647 1.00 0.00 0.167 HD +ATOM 598 CE1 HIS A 95 174.967 180.844 178.228 1.00 0.00 0.196 A +ATOM 599 NE2 HIS A 95 175.718 180.130 177.409 1.00 0.00 -0.245 NA +ATOM 600 H HIS A 95 177.404 182.733 181.908 1.00 0.00 0.164 HD +ATOM 601 C PHE A 96 182.523 181.261 182.507 1.00 0.00 0.243 C +ATOM 602 O PHE A 96 182.929 182.041 183.367 1.00 0.00 -0.272 OA +ATOM 603 CA PHE A 96 182.180 181.748 181.102 1.00 0.00 0.175 C +ATOM 604 N PHE A 96 180.814 181.381 180.733 1.00 0.00 -0.343 N +ATOM 605 CB PHE A 96 182.369 183.264 181.006 1.00 0.00 0.070 C +ATOM 606 CG PHE A 96 181.826 183.860 179.740 1.00 0.00 -0.045 A +ATOM 607 CD1 PHE A 96 182.442 183.618 178.524 1.00 0.00 0.004 A +ATOM 608 CD2 PHE A 96 180.700 184.664 179.766 1.00 0.00 0.004 A +ATOM 609 CE1 PHE A 96 181.943 184.165 177.357 1.00 0.00 0.000 A +ATOM 610 CE2 PHE A 96 180.197 185.214 178.604 1.00 0.00 0.000 A +ATOM 611 CZ PHE A 96 180.821 184.964 177.396 1.00 0.00 0.000 A +ATOM 612 H PHE A 96 180.767 180.885 180.032 1.00 0.00 0.164 HD +ATOM 613 C LYS A 97 183.916 179.570 184.631 1.00 0.00 0.242 C +ATOM 614 O LYS A 97 184.060 179.807 185.830 1.00 0.00 -0.273 OA +ATOM 615 CA LYS A 97 182.521 179.361 184.043 1.00 0.00 0.171 C +ATOM 616 N LYS A 97 182.367 179.959 182.721 1.00 0.00 -0.344 N +ATOM 617 CB LYS A 97 182.210 177.866 183.970 1.00 0.00 0.035 C +ATOM 618 CG LYS A 97 182.111 177.186 185.320 1.00 0.00 0.008 C +ATOM 619 CD LYS A 97 181.867 175.696 185.163 1.00 0.00 0.061 C +ATOM 620 CE LYS A 97 181.747 175.006 186.511 1.00 0.00 0.258 C +ATOM 621 NZ LYS A 97 182.965 175.196 187.349 1.00 0.00 -0.357 N +ATOM 622 HZ1 LYS A 97 182.864 174.781 188.130 1.00 0.00 0.345 HD +ATOM 623 HZ2 LYS A 97 183.676 174.859 186.932 1.00 0.00 0.345 HD +ATOM 624 HZ3 LYS A 97 183.099 176.063 187.497 1.00 0.00 0.345 HD +ATOM 625 H LYS A 97 182.168 179.391 182.107 1.00 0.00 0.164 HD +ATOM 626 C GLY A 98 186.586 181.043 184.724 1.00 0.00 0.239 C +ATOM 627 O GLY A 98 187.351 181.253 185.664 1.00 0.00 -0.273 OA +ATOM 628 CA GLY A 98 186.310 179.635 184.240 1.00 0.00 0.216 C +ATOM 629 N GLY A 98 184.939 179.479 183.789 1.00 0.00 -0.346 N +ATOM 630 H GLY A 98 184.862 179.326 182.946 1.00 0.00 0.164 HD +ATOM 631 C PHE A 99 185.500 183.737 185.771 1.00 0.00 0.243 C +ATOM 632 O PHE A 99 186.123 184.397 186.604 1.00 0.00 -0.272 OA +ATOM 633 CA PHE A 99 186.113 183.419 184.408 1.00 0.00 0.175 C +ATOM 634 N PHE A 99 185.952 182.010 184.072 1.00 0.00 -0.343 N +ATOM 635 CB PHE A 99 185.482 184.282 183.310 1.00 0.00 0.070 C +ATOM 636 CG PHE A 99 185.265 185.715 183.701 1.00 0.00 -0.045 A +ATOM 637 CD1 PHE A 99 186.274 186.648 183.555 1.00 0.00 0.004 A +ATOM 638 CD2 PHE A 99 184.040 186.133 184.193 1.00 0.00 0.004 A +ATOM 639 CE1 PHE A 99 186.070 187.969 183.906 1.00 0.00 0.000 A +ATOM 640 CE2 PHE A 99 183.832 187.450 184.545 1.00 0.00 0.000 A +ATOM 641 CZ PHE A 99 184.847 188.369 184.401 1.00 0.00 0.000 A +ATOM 642 H PHE A 99 185.412 181.872 183.417 1.00 0.00 0.164 HD +ATOM 643 C TRP A 100 184.302 182.822 188.435 1.00 0.00 0.242 C +ATOM 644 O TRP A 100 184.341 183.366 189.536 1.00 0.00 -0.272 OA +ATOM 645 CA TRP A 100 183.598 183.502 187.266 1.00 0.00 0.175 C +ATOM 646 N TRP A 100 184.282 183.259 186.001 1.00 0.00 -0.343 N +ATOM 647 CB TRP A 100 182.146 183.037 187.181 1.00 0.00 0.072 C +ATOM 648 CG TRP A 100 181.339 183.890 186.267 1.00 0.00 -0.020 A +ATOM 649 CD1 TRP A 100 180.736 183.510 185.108 1.00 0.00 0.087 A +ATOM 650 CD2 TRP A 100 181.068 185.286 186.423 1.00 0.00 0.003 A +ATOM 651 NE1 TRP A 100 180.094 184.580 184.535 1.00 0.00 -0.359 N +ATOM 652 CE2 TRP A 100 180.285 185.683 185.324 1.00 0.00 0.046 A +ATOM 653 CE3 TRP A 100 181.408 186.237 187.388 1.00 0.00 0.010 A +ATOM 654 HE1 TRP A 100 179.647 184.561 183.800 1.00 0.00 0.166 HD +ATOM 655 CZ2 TRP A 100 179.835 186.988 185.164 1.00 0.00 0.026 A +ATOM 656 CZ3 TRP A 100 180.962 187.531 187.228 1.00 0.00 0.001 A +ATOM 657 CH2 TRP A 100 180.183 187.896 186.124 1.00 0.00 0.002 A +ATOM 658 H TRP A 100 183.829 182.790 185.440 1.00 0.00 0.164 HD +ATOM 659 C ASN A 101 186.790 181.784 189.738 1.00 0.00 0.242 C +ATOM 660 O ASN A 101 187.123 181.719 190.921 1.00 0.00 -0.273 OA +ATOM 661 CA ASN A 101 185.636 180.936 189.210 1.00 0.00 0.180 C +ATOM 662 N ASN A 101 184.862 181.640 188.192 1.00 0.00 -0.342 N +ATOM 663 CB ASN A 101 186.176 179.616 188.654 1.00 0.00 0.134 C +ATOM 664 CG ASN A 101 185.229 178.447 188.879 1.00 0.00 0.220 C +ATOM 665 OD1 ASN A 101 184.129 178.612 189.411 1.00 0.00 -0.275 OA +ATOM 666 ND2 ASN A 101 185.655 177.256 188.469 1.00 0.00 -0.368 N +ATOM 667 HD22 ASN A 101 185.157 176.562 188.574 1.00 0.00 0.159 HD +ATOM 668 HD21 ASN A 101 186.428 177.180 188.100 1.00 0.00 0.159 HD +ATOM 669 H ASN A 101 184.808 181.223 187.442 1.00 0.00 0.164 HD +ATOM 670 C VAL A 102 187.916 184.694 189.981 1.00 0.00 0.243 C +ATOM 671 O VAL A 102 188.418 185.083 191.035 1.00 0.00 -0.272 OA +ATOM 672 CA VAL A 102 188.475 183.470 189.264 1.00 0.00 0.173 C +ATOM 673 N VAL A 102 187.392 182.581 188.862 1.00 0.00 -0.343 N +ATOM 674 CB VAL A 102 189.320 183.914 188.053 1.00 0.00 0.015 C +ATOM 675 CG1 VAL A 102 190.353 184.966 188.461 1.00 0.00 0.010 C +ATOM 676 CG2 VAL A 102 190.008 182.712 187.430 1.00 0.00 0.010 C +ATOM 677 H VAL A 102 187.192 182.626 188.027 1.00 0.00 0.164 HD +ATOM 678 C VAL A 103 185.764 186.138 191.432 1.00 0.00 0.243 C +ATOM 679 O VAL A 103 185.928 186.947 192.345 1.00 0.00 -0.272 OA +ATOM 680 CA VAL A 103 186.233 186.458 190.017 1.00 0.00 0.173 C +ATOM 681 N VAL A 103 186.878 185.298 189.408 1.00 0.00 -0.343 N +ATOM 682 CB VAL A 103 185.028 186.943 189.177 1.00 0.00 0.015 C +ATOM 683 CG1 VAL A 103 184.199 187.983 189.945 1.00 0.00 0.010 C +ATOM 684 CG2 VAL A 103 185.505 187.518 187.853 1.00 0.00 0.010 C +ATOM 685 H VAL A 103 186.526 185.053 188.662 1.00 0.00 0.164 HD +ATOM 686 C ASN A 104 185.762 184.514 193.975 1.00 0.00 0.242 C +ATOM 687 O ASN A 104 185.484 184.692 195.158 1.00 0.00 -0.273 OA +ATOM 688 CA ASN A 104 184.672 184.542 192.910 1.00 0.00 0.180 C +ATOM 689 N ASN A 104 185.182 184.956 191.608 1.00 0.00 -0.342 N +ATOM 690 CB ASN A 104 184.017 183.163 192.815 1.00 0.00 0.134 C +ATOM 691 CG ASN A 104 182.749 183.174 191.985 1.00 0.00 0.220 C +ATOM 692 OD1 ASN A 104 182.097 184.206 191.834 1.00 0.00 -0.275 OA +ATOM 693 ND2 ASN A 104 182.392 182.016 191.441 1.00 0.00 -0.368 N +ATOM 694 HD22 ASN A 104 181.680 181.968 190.960 1.00 0.00 0.159 HD +ATOM 695 HD21 ASN A 104 182.872 181.314 191.569 1.00 0.00 0.159 HD +ATOM 696 H ASN A 104 185.069 184.373 190.986 1.00 0.00 0.164 HD +ATOM 697 C ASN A 105 188.903 185.529 194.587 1.00 0.00 0.242 C +ATOM 698 O ASN A 105 189.951 185.582 195.229 1.00 0.00 -0.273 OA +ATOM 699 CA ASN A 105 188.137 184.213 194.464 1.00 0.00 0.180 C +ATOM 700 N ASN A 105 187.003 184.296 193.547 1.00 0.00 -0.342 N +ATOM 701 CB ASN A 105 189.089 183.101 194.022 1.00 0.00 0.134 C +ATOM 702 CG ASN A 105 188.557 181.721 194.347 1.00 0.00 0.220 C +ATOM 703 OD1 ASN A 105 188.665 181.255 195.480 1.00 0.00 -0.275 OA +ATOM 704 ND2 ASN A 105 187.973 181.062 193.356 1.00 0.00 -0.368 N +ATOM 705 HD22 ASN A 105 187.655 180.275 193.491 1.00 0.00 0.159 HD +ATOM 706 HD21 ASN A 105 187.912 181.422 192.577 1.00 0.00 0.159 HD +ATOM 707 H ASN A 105 187.216 184.192 192.720 1.00 0.00 0.164 HD +ATOM 708 C ILE A 105A 187.902 188.749 194.930 1.00 0.00 0.243 C +ATOM 709 O ILE A 105A 186.985 189.325 194.349 1.00 0.00 -0.272 OA +ATOM 710 CA ILE A 105A 188.917 187.929 194.130 1.00 0.00 0.174 C +ATOM 711 N ILE A 105A 188.378 186.582 193.970 1.00 0.00 -0.343 N +ATOM 712 CB ILE A 105A 189.200 188.602 192.774 1.00 0.00 0.018 C +ATOM 713 CG2 ILE A 105A 189.767 190.005 192.982 1.00 0.00 0.010 C +ATOM 714 CG1 ILE A 105A 190.186 187.758 191.964 1.00 0.00 0.002 C +ATOM 715 CD1 ILE A 105A 190.384 188.227 190.535 1.00 0.00 0.004 C +ATOM 716 H ILE A 105A 187.697 186.543 193.446 1.00 0.00 0.164 HD +ATOM 717 C PRO A 106 186.672 190.821 196.682 1.00 0.00 0.243 C +ATOM 718 O PRO A 106 185.503 191.194 196.753 1.00 0.00 -0.271 OA +ATOM 719 CA PRO A 106 187.063 189.428 197.146 1.00 0.00 0.175 C +ATOM 720 N PRO A 106 188.058 188.795 196.269 1.00 0.00 -0.329 N +ATOM 721 CB PRO A 106 187.778 189.489 198.499 1.00 0.00 0.037 C +ATOM 722 CG PRO A 106 188.766 188.394 198.449 1.00 0.00 0.024 C +ATOM 723 CD PRO A 106 189.231 188.335 197.033 1.00 0.00 0.121 C +ATOM 724 C PHE A 107 186.399 192.947 194.577 1.00 0.00 0.243 C +ATOM 725 O PHE A 107 185.479 193.765 194.598 1.00 0.00 -0.272 OA +ATOM 726 CA PHE A 107 187.437 192.916 195.697 1.00 0.00 0.175 C +ATOM 727 N PHE A 107 187.656 191.570 196.202 1.00 0.00 -0.343 N +ATOM 728 CB PHE A 107 188.761 193.500 195.202 1.00 0.00 0.070 C +ATOM 729 CG PHE A 107 188.611 194.772 194.428 1.00 0.00 -0.045 A +ATOM 730 CD1 PHE A 107 188.301 195.957 195.072 1.00 0.00 0.004 A +ATOM 731 CD2 PHE A 107 188.789 194.786 193.057 1.00 0.00 0.004 A +ATOM 732 CE1 PHE A 107 188.163 197.133 194.359 1.00 0.00 0.000 A +ATOM 733 CE2 PHE A 107 188.654 195.957 192.339 1.00 0.00 0.000 A +ATOM 734 CZ PHE A 107 188.341 197.133 192.991 1.00 0.00 0.000 A +ATOM 735 H PHE A 107 188.476 191.315 196.158 1.00 0.00 0.164 HD +ATOM 736 C LEU A 108 184.286 191.436 192.813 1.00 0.00 0.243 C +ATOM 737 O LEU A 108 183.251 191.954 192.396 1.00 0.00 -0.272 OA +ATOM 738 CA LEU A 108 185.644 192.026 192.454 1.00 0.00 0.172 C +ATOM 739 N LEU A 108 186.546 192.057 193.601 1.00 0.00 -0.345 N +ATOM 740 CB LEU A 108 186.257 191.225 191.306 1.00 0.00 0.038 C +ATOM 741 CG LEU A 108 187.559 191.754 190.704 1.00 0.00 -0.015 C +ATOM 742 CD1 LEU A 108 187.992 190.855 189.561 1.00 0.00 0.007 C +ATOM 743 CD2 LEU A 108 187.411 193.194 190.230 1.00 0.00 0.007 C +ATOM 744 H LEU A 108 187.162 191.458 193.579 1.00 0.00 0.165 HD +ATOM 745 C ARG A 109 182.166 190.656 194.748 1.00 0.00 0.242 C +ATOM 746 O ARG A 109 180.970 190.749 194.477 1.00 0.00 -0.273 OA +ATOM 747 CA ARG A 109 183.065 189.688 193.986 1.00 0.00 0.171 C +ATOM 748 N ARG A 109 184.299 190.345 193.571 1.00 0.00 -0.344 N +ATOM 749 CB ARG A 109 183.370 188.469 194.856 1.00 0.00 0.038 C +ATOM 750 CG ARG A 109 182.155 187.600 195.148 1.00 0.00 0.040 C +ATOM 751 CD ARG A 109 182.371 186.746 196.381 1.00 0.00 0.197 C +ATOM 752 NE ARG A 109 181.247 185.851 196.631 1.00 0.00 -0.278 N +ATOM 753 HE ARG A 109 180.609 185.836 196.054 1.00 0.00 0.260 HD +ATOM 754 CZ ARG A 109 181.144 185.055 197.690 1.00 0.00 0.339 C +ATOM 755 NH1 ARG A 109 182.100 185.044 198.610 1.00 0.00 -0.290 N +ATOM 756 NH2 ARG A 109 180.085 184.272 197.833 1.00 0.00 -0.290 N +ATOM 757 HH12 ARG A 109 182.789 185.551 198.520 1.00 0.00 0.256 HD +ATOM 758 HH11 ARG A 109 182.032 184.529 199.295 1.00 0.00 0.256 HD +ATOM 759 HH22 ARG A 109 179.463 184.278 197.240 1.00 0.00 0.256 HD +ATOM 760 HH21 ARG A 109 180.020 183.759 198.520 1.00 0.00 0.256 HD +ATOM 761 H ARG A 109 185.013 189.963 193.860 1.00 0.00 0.164 HD +ATOM 762 C ASN A 110 181.409 193.459 195.686 1.00 0.00 0.242 C +ATOM 763 O ASN A 110 180.238 193.795 195.857 1.00 0.00 -0.273 OA +ATOM 764 CA ASN A 110 182.022 192.336 196.513 1.00 0.00 0.180 C +ATOM 765 N ASN A 110 182.757 191.379 195.696 1.00 0.00 -0.342 N +ATOM 766 CB ASN A 110 182.937 192.931 197.584 1.00 0.00 0.134 C +ATOM 767 CG ASN A 110 183.341 191.916 198.630 1.00 0.00 0.220 C +ATOM 768 OD1 ASN A 110 182.793 190.817 198.685 1.00 0.00 -0.275 OA +ATOM 769 ND2 ASN A 110 184.299 192.282 199.471 1.00 0.00 -0.368 N +ATOM 770 HD22 ASN A 110 184.563 191.740 200.084 1.00 0.00 0.159 HD +ATOM 771 HD21 ASN A 110 184.656 193.062 199.404 1.00 0.00 0.159 HD +ATOM 772 H ASN A 110 183.595 191.331 195.887 1.00 0.00 0.164 HD +ATOM 773 C ALA A 111 180.573 194.672 193.079 1.00 0.00 0.243 C +ATOM 774 O ALA A 111 179.606 195.409 192.896 1.00 0.00 -0.272 OA +ATOM 775 CA ALA A 111 181.745 195.124 193.940 1.00 0.00 0.168 C +ATOM 776 N ALA A 111 182.207 194.037 194.795 1.00 0.00 -0.344 N +ATOM 777 CB ALA A 111 182.880 195.630 193.065 1.00 0.00 0.041 C +ATOM 778 H ALA A 111 183.028 193.816 194.665 1.00 0.00 0.164 HD +ATOM 779 C ILE A 112 178.352 192.642 192.520 1.00 0.00 0.243 C +ATOM 780 O ILE A 112 177.261 193.043 192.118 1.00 0.00 -0.272 OA +ATOM 781 CA ILE A 112 179.616 192.902 191.712 1.00 0.00 0.174 C +ATOM 782 N ILE A 112 180.666 193.455 192.557 1.00 0.00 -0.343 N +ATOM 783 CB ILE A 112 180.079 191.598 191.027 1.00 0.00 0.018 C +ATOM 784 CG2 ILE A 112 178.891 190.837 190.422 1.00 0.00 0.010 C +ATOM 785 CG1 ILE A 112 181.104 191.928 189.935 1.00 0.00 0.002 C +ATOM 786 CD1 ILE A 112 181.748 190.718 189.296 1.00 0.00 0.004 C +ATOM 787 H ILE A 112 181.332 192.925 192.678 1.00 0.00 0.164 HD +ATOM 788 C MET A 113 176.681 192.938 194.956 1.00 0.00 0.242 C +ATOM 789 O MET A 113 175.455 193.038 194.956 1.00 0.00 -0.272 OA +ATOM 790 CA MET A 113 177.358 191.653 194.499 1.00 0.00 0.172 C +ATOM 791 N MET A 113 178.500 191.964 193.653 1.00 0.00 -0.344 N +ATOM 792 CB MET A 113 177.788 190.822 195.709 1.00 0.00 0.046 C +ATOM 793 CG MET A 113 176.621 190.300 196.528 1.00 0.00 0.072 C +ATOM 794 SD MET A 113 175.575 189.161 195.598 1.00 0.00 -0.165 SA +ATOM 795 CE MET A 113 173.964 189.587 196.247 1.00 0.00 0.085 C +ATOM 796 H MET A 113 179.252 191.673 193.953 1.00 0.00 0.164 HD +ATOM 797 C SER A 114 176.091 195.841 194.694 1.00 0.00 0.244 C +ATOM 798 O SER A 114 175.023 196.368 195.006 1.00 0.00 -0.272 OA +ATOM 799 CA SER A 114 176.992 195.221 195.759 1.00 0.00 0.197 C +ATOM 800 N SER A 114 177.492 193.920 195.334 1.00 0.00 -0.342 N +ATOM 801 CB SER A 114 178.159 196.159 196.069 1.00 0.00 0.191 C +ATOM 802 OG SER A 114 177.698 197.397 196.583 1.00 0.00 -0.392 OA +ATOM 803 HG SER A 114 178.350 197.900 196.748 1.00 0.00 0.210 HD +ATOM 804 H SER A 114 178.349 193.856 195.353 1.00 0.00 0.164 HD +ATOM 805 C TYR A 115 174.444 195.578 192.119 1.00 0.00 0.243 C +ATOM 806 O TYR A 115 173.408 196.194 191.859 1.00 0.00 -0.272 OA +ATOM 807 CA TYR A 115 175.755 196.327 192.334 1.00 0.00 0.175 C +ATOM 808 N TYR A 115 176.523 195.766 193.439 1.00 0.00 -0.343 N +ATOM 809 CB TYR A 115 176.571 196.307 191.042 1.00 0.00 0.070 C +ATOM 810 CG TYR A 115 175.756 196.688 189.829 1.00 0.00 -0.045 A +ATOM 811 CD1 TYR A 115 175.495 198.019 189.536 1.00 0.00 0.007 A +ATOM 812 CD2 TYR A 115 175.234 195.717 188.985 1.00 0.00 0.007 A +ATOM 813 CE1 TYR A 115 174.745 198.373 188.435 1.00 0.00 0.046 A +ATOM 814 CE2 TYR A 115 174.483 196.062 187.881 1.00 0.00 0.046 A +ATOM 815 CZ TYR A 115 174.242 197.391 187.611 1.00 0.00 0.115 A +ATOM 816 OH TYR A 115 173.494 197.744 186.511 1.00 0.00 -0.507 OA +ATOM 817 HH TYR A 115 173.250 197.055 186.097 1.00 0.00 0.294 HD +ATOM 818 H TYR A 115 177.260 195.393 193.201 1.00 0.00 0.164 HD +ATOM 819 C VAL A 116 172.264 193.897 193.114 1.00 0.00 0.243 C +ATOM 820 O VAL A 116 171.107 194.110 192.768 1.00 0.00 -0.272 OA +ATOM 821 CA VAL A 116 173.302 193.423 192.107 1.00 0.00 0.173 C +ATOM 822 N VAL A 116 174.499 194.251 192.206 1.00 0.00 -0.343 N +ATOM 823 CB VAL A 116 173.619 191.924 192.350 1.00 0.00 0.015 C +ATOM 824 CG1 VAL A 116 172.337 191.103 192.515 1.00 0.00 0.010 C +ATOM 825 CG2 VAL A 116 174.453 191.370 191.212 1.00 0.00 0.010 C +ATOM 826 H VAL A 116 175.224 193.804 192.323 1.00 0.00 0.164 HD +ATOM 827 C LEU A 117 171.201 195.870 195.184 1.00 0.00 0.243 C +ATOM 828 O LEU A 117 169.986 196.057 195.240 1.00 0.00 -0.272 OA +ATOM 829 CA LEU A 117 171.780 194.480 195.426 1.00 0.00 0.172 C +ATOM 830 N LEU A 117 172.687 194.071 194.361 1.00 0.00 -0.345 N +ATOM 831 CB LEU A 117 172.493 194.448 196.777 1.00 0.00 0.038 C +ATOM 832 CG LEU A 117 173.005 193.083 197.239 1.00 0.00 -0.015 C +ATOM 833 CD1 LEU A 117 173.802 193.224 198.522 1.00 0.00 0.007 C +ATOM 834 CD2 LEU A 117 171.859 192.107 197.424 1.00 0.00 0.007 C +ATOM 835 H LEU A 117 173.500 193.958 194.618 1.00 0.00 0.165 HD +ATOM 836 C THR A 118 170.772 198.397 193.501 1.00 0.00 0.245 C +ATOM 837 O THR A 118 169.738 199.060 193.547 1.00 0.00 -0.273 OA +ATOM 838 CA THR A 118 171.632 198.222 194.750 1.00 0.00 0.199 C +ATOM 839 N THR A 118 172.069 196.841 194.918 1.00 0.00 -0.341 N +ATOM 840 CB THR A 118 172.829 199.193 194.671 1.00 0.00 0.143 C +ATOM 841 CG2 THR A 118 173.542 199.275 196.014 1.00 0.00 0.041 C +ATOM 842 OG1 THR A 118 173.750 198.749 193.667 1.00 0.00 -0.389 OA +ATOM 843 HG1 THR A 118 174.033 197.981 193.855 1.00 0.00 0.211 HD +ATOM 844 H THR A 118 172.916 196.726 194.830 1.00 0.00 0.164 HD +ATOM 845 C SER A 119 169.088 197.365 191.165 1.00 0.00 0.244 C +ATOM 846 O SER A 119 168.120 198.001 190.751 1.00 0.00 -0.272 OA +ATOM 847 CA SER A 119 170.491 197.975 191.125 1.00 0.00 0.197 C +ATOM 848 N SER A 119 171.194 197.797 192.392 1.00 0.00 -0.342 N +ATOM 849 CB SER A 119 171.297 197.369 189.970 1.00 0.00 0.191 C +ATOM 850 OG SER A 119 171.302 195.954 190.018 1.00 0.00 -0.392 OA +ATOM 851 HG SER A 119 171.645 195.692 190.739 1.00 0.00 0.210 HD +ATOM 852 H SER A 119 171.882 197.284 192.346 1.00 0.00 0.164 HD +ATOM 853 C ARG A 120 166.743 196.125 192.747 1.00 0.00 0.242 C +ATOM 854 O ARG A 120 165.523 196.068 192.599 1.00 0.00 -0.273 OA +ATOM 855 CA ARG A 120 167.678 195.467 191.729 1.00 0.00 0.171 C +ATOM 856 N ARG A 120 168.974 196.141 191.670 1.00 0.00 -0.344 N +ATOM 857 CB ARG A 120 167.850 193.985 192.074 1.00 0.00 0.038 C +ATOM 858 CG ARG A 120 168.817 193.222 191.177 1.00 0.00 0.040 C +ATOM 859 CD ARG A 120 168.119 192.397 190.105 1.00 0.00 0.197 C +ATOM 860 NE ARG A 120 169.057 191.476 189.465 1.00 0.00 -0.278 N +ATOM 861 HE ARG A 120 169.878 191.503 189.719 1.00 0.00 0.260 HD +ATOM 862 CZ ARG A 120 168.734 190.601 188.518 1.00 0.00 0.339 C +ATOM 863 NH1 ARG A 120 167.486 190.512 188.080 1.00 0.00 -0.290 N +ATOM 864 NH2 ARG A 120 169.668 189.809 188.007 1.00 0.00 -0.290 N +ATOM 865 HH12 ARG A 120 166.877 191.023 188.410 1.00 0.00 0.256 HD +ATOM 866 HH11 ARG A 120 167.284 189.944 187.467 1.00 0.00 0.256 HD +ATOM 867 HH22 ARG A 120 170.479 189.864 188.288 1.00 0.00 0.256 HD +ATOM 868 HH21 ARG A 120 169.462 189.243 187.394 1.00 0.00 0.256 HD +ATOM 869 H ARG A 120 169.628 195.679 191.983 1.00 0.00 0.164 HD +ATOM 870 C SER A 121 165.853 198.647 194.484 1.00 0.00 0.244 C +ATOM 871 O SER A 121 164.794 198.985 195.010 1.00 0.00 -0.272 OA +ATOM 872 CA SER A 121 166.512 197.321 194.859 1.00 0.00 0.197 C +ATOM 873 N SER A 121 167.311 196.754 193.772 1.00 0.00 -0.342 N +ATOM 874 CB SER A 121 167.372 197.514 196.107 1.00 0.00 0.191 C +ATOM 875 OG SER A 121 167.834 196.269 196.598 1.00 0.00 -0.392 OA +ATOM 876 HG SER A 121 168.296 195.883 196.012 1.00 0.00 0.210 HD +ATOM 877 H SER A 121 168.158 196.867 193.864 1.00 0.00 0.164 HD +ATOM 878 C HIS A 122 164.562 200.492 192.441 1.00 0.00 0.242 C +ATOM 879 O HIS A 122 163.848 201.470 192.222 1.00 0.00 -0.272 OA +ATOM 880 CA HIS A 122 165.929 200.663 193.106 1.00 0.00 0.177 C +ATOM 881 N HIS A 122 166.478 199.392 193.576 1.00 0.00 -0.343 N +ATOM 882 CB HIS A 122 166.893 201.331 192.121 1.00 0.00 0.093 C +ATOM 883 CG HIS A 122 168.095 201.949 192.767 1.00 0.00 0.061 A +ATOM 884 ND1 HIS A 122 168.053 202.535 194.014 1.00 0.00 -0.242 NA +ATOM 885 CD2 HIS A 122 169.372 202.077 192.335 1.00 0.00 0.107 A +ATOM 886 CE1 HIS A 122 169.252 202.995 194.323 1.00 0.00 0.196 A +ATOM 887 NE2 HIS A 122 170.071 202.729 193.322 1.00 0.00 -0.350 N +ATOM 888 HE2 HIS A 122 170.906 202.932 193.292 1.00 0.00 0.167 HD +ATOM 889 H HIS A 122 167.229 199.182 193.213 1.00 0.00 0.164 HD +ATOM 890 C LEU A 123 161.775 198.808 192.406 1.00 0.00 0.243 C +ATOM 891 O LEU A 123 160.627 198.704 191.977 1.00 0.00 -0.272 OA +ATOM 892 CA LEU A 123 162.946 198.966 191.437 1.00 0.00 0.172 C +ATOM 893 N LEU A 123 164.205 199.252 192.117 1.00 0.00 -0.345 N +ATOM 894 CB LEU A 123 163.086 197.703 190.586 1.00 0.00 0.038 C +ATOM 895 CG LEU A 123 163.911 197.849 189.304 1.00 0.00 -0.015 C +ATOM 896 CD1 LEU A 123 164.207 196.489 188.708 1.00 0.00 0.007 C +ATOM 897 CD2 LEU A 123 163.187 198.723 188.294 1.00 0.00 0.007 C +ATOM 898 H LEU A 123 164.680 198.554 192.281 1.00 0.00 0.165 HD +ATOM 899 C ILE A 124 160.879 200.033 195.454 1.00 0.00 0.243 C +ATOM 900 O ILE A 124 161.866 200.623 195.890 1.00 0.00 -0.272 OA +ATOM 901 CA ILE A 124 161.021 198.709 194.723 1.00 0.00 0.174 C +ATOM 902 N ILE A 124 162.064 198.786 193.703 1.00 0.00 -0.343 N +ATOM 903 CB ILE A 124 161.308 197.605 195.757 1.00 0.00 0.018 C +ATOM 904 CG2 ILE A 124 160.163 197.499 196.758 1.00 0.00 0.010 C +ATOM 905 CG1 ILE A 124 161.536 196.260 195.060 1.00 0.00 0.002 C +ATOM 906 CD1 ILE A 124 160.407 195.834 194.142 1.00 0.00 0.004 C +ATOM 907 H ILE A 124 162.862 198.814 194.022 1.00 0.00 0.164 HD +ATOM 908 C ASP A 125 159.410 201.298 197.867 1.00 0.00 0.242 C +ATOM 909 O ASP A 125 158.715 200.386 198.310 1.00 0.00 -0.273 OA +ATOM 910 CA ASP A 125 159.359 201.673 196.392 1.00 0.00 0.176 C +ATOM 911 N ASP A 125 159.641 200.496 195.587 1.00 0.00 -0.343 N +ATOM 912 CB ASP A 125 157.994 202.269 196.034 1.00 0.00 0.087 C +ATOM 913 CG ASP A 125 157.982 202.940 194.667 1.00 0.00 0.044 C +ATOM 914 OD1 ASP A 125 159.058 203.373 194.197 1.00 0.00 -0.548 OA +ATOM 915 OD2 ASP A 125 156.893 203.039 194.065 1.00 0.00 -0.549 OA +ATOM 916 H ASP A 125 158.948 200.144 195.219 1.00 0.00 0.164 HD +ATOM 917 C SER A 126 160.717 203.101 200.739 1.00 0.00 0.244 C +ATOM 918 O SER A 126 161.754 203.705 200.476 1.00 0.00 -0.272 OA +ATOM 919 CA SER A 126 160.407 201.776 200.040 1.00 0.00 0.197 C +ATOM 920 N SER A 126 160.246 202.008 198.614 1.00 0.00 -0.342 N +ATOM 921 CB SER A 126 161.517 200.758 200.295 1.00 0.00 0.191 C +ATOM 922 OG SER A 126 161.684 200.528 201.682 1.00 0.00 -0.392 OA +ATOM 923 HG SER A 126 160.971 200.231 202.012 1.00 0.00 0.210 HD +ATOM 924 H SER A 126 160.740 202.643 198.310 1.00 0.00 0.164 HD +ATOM 925 C PRO A 127 157.569 202.686 200.992 1.00 0.00 0.243 C +ATOM 926 O PRO A 127 157.637 203.295 199.923 1.00 0.00 -0.271 OA +ATOM 927 CA PRO A 127 158.563 203.000 202.110 1.00 0.00 0.175 C +ATOM 928 N PRO A 127 159.829 203.573 201.629 1.00 0.00 -0.329 N +ATOM 929 CB PRO A 127 158.004 204.096 203.021 1.00 0.00 0.037 C +ATOM 930 CG PRO A 127 159.180 204.885 203.444 1.00 0.00 0.024 C +ATOM 931 CD PRO A 127 160.129 204.856 202.289 1.00 0.00 0.121 C +ATOM 932 C PRO A 128 154.667 202.309 199.851 1.00 0.00 0.243 C +ATOM 933 O PRO A 128 154.544 203.326 200.533 1.00 0.00 -0.271 OA +ATOM 934 CA PRO A 128 155.720 201.267 200.214 1.00 0.00 0.175 C +ATOM 935 N PRO A 128 156.651 201.741 201.241 1.00 0.00 -0.329 N +ATOM 936 CB PRO A 128 155.084 200.041 200.869 1.00 0.00 0.037 C +ATOM 937 CG PRO A 128 155.111 200.349 202.317 1.00 0.00 0.024 C +ATOM 938 CD PRO A 128 156.375 201.130 202.553 1.00 0.00 0.121 C +ATOM 939 C THR A 129 151.533 202.433 198.196 1.00 0.00 0.245 C +ATOM 940 O THR A 129 150.750 202.571 199.133 1.00 0.00 -0.273 OA +ATOM 941 CA THR A 129 152.947 203.012 198.276 1.00 0.00 0.199 C +ATOM 942 N THR A 129 153.913 202.048 198.788 1.00 0.00 -0.341 N +ATOM 943 CB THR A 129 153.374 203.521 196.889 1.00 0.00 0.143 C +ATOM 944 CG2 THR A 129 154.692 204.275 196.986 1.00 0.00 0.041 C +ATOM 945 OG1 THR A 129 153.538 202.412 195.999 1.00 0.00 -0.389 OA +ATOM 946 HG1 THR A 129 153.771 202.686 195.239 1.00 0.00 0.211 HD +ATOM 947 H THR A 129 153.943 201.314 198.341 1.00 0.00 0.164 HD +ATOM 948 C TYR A 130 149.460 200.041 197.460 1.00 0.00 0.243 C +ATOM 949 O TYR A 130 150.322 199.266 197.873 1.00 0.00 -0.272 OA +ATOM 950 CA TYR A 130 149.842 201.368 196.813 1.00 0.00 0.175 C +ATOM 951 N TYR A 130 151.213 201.779 197.086 1.00 0.00 -0.343 N +ATOM 952 CB TYR A 130 149.622 201.265 195.302 1.00 0.00 0.070 C +ATOM 953 CG TYR A 130 150.115 202.465 194.528 1.00 0.00 -0.045 A +ATOM 954 CD1 TYR A 130 149.495 203.701 194.652 1.00 0.00 0.007 A +ATOM 955 CD2 TYR A 130 151.197 202.360 193.664 1.00 0.00 0.007 A +ATOM 956 CE1 TYR A 130 149.944 204.799 193.945 1.00 0.00 0.046 A +ATOM 957 CE2 TYR A 130 151.650 203.452 192.952 1.00 0.00 0.046 A +ATOM 958 CZ TYR A 130 151.021 204.668 193.097 1.00 0.00 0.115 A +ATOM 959 OH TYR A 130 151.468 205.757 192.392 1.00 0.00 -0.507 OA +ATOM 960 HH TYR A 130 152.126 205.541 191.916 1.00 0.00 0.294 HD +ATOM 961 H TYR A 130 151.774 201.561 196.472 1.00 0.00 0.164 HD +ATOM 962 C ASN A 131 146.334 198.245 197.097 1.00 0.00 0.242 C +ATOM 963 O ASN A 131 145.968 199.050 196.241 1.00 0.00 -0.273 OA +ATOM 964 CA ASN A 131 147.622 198.486 197.882 1.00 0.00 0.180 C +ATOM 965 N ASN A 131 148.154 199.807 197.559 1.00 0.00 -0.342 N +ATOM 966 CB ASN A 131 147.395 198.326 199.396 1.00 0.00 0.134 C +ATOM 967 CG ASN A 131 146.320 199.253 199.954 1.00 0.00 0.220 C +ATOM 968 OD1 ASN A 131 145.431 199.720 199.242 1.00 0.00 -0.275 OA +ATOM 969 ND2 ASN A 131 146.397 199.511 201.254 1.00 0.00 -0.368 N +ATOM 970 HD22 ASN A 131 145.818 200.027 201.626 1.00 0.00 0.159 HD +ATOM 971 HD21 ASN A 131 147.026 199.161 201.725 1.00 0.00 0.159 HD +ATOM 972 H ASN A 131 147.547 200.405 197.441 1.00 0.00 0.164 HD +ATOM 973 C ALA A 132 143.390 197.808 196.577 1.00 0.00 0.243 C +ATOM 974 O ALA A 132 142.660 197.913 195.594 1.00 0.00 -0.272 OA +ATOM 975 CA ALA A 132 144.476 196.736 196.622 1.00 0.00 0.168 C +ATOM 976 N ALA A 132 145.650 197.144 197.390 1.00 0.00 -0.344 N +ATOM 977 CB ALA A 132 143.904 195.450 197.194 1.00 0.00 0.041 C +ATOM 978 H ALA A 132 145.846 196.611 198.036 1.00 0.00 0.164 HD +ATOM 979 C ASP A 133 142.598 200.998 197.399 1.00 0.00 0.242 C +ATOM 980 O ASP A 133 141.746 201.882 197.381 1.00 0.00 -0.273 OA +ATOM 981 CA ASP A 133 142.208 199.571 197.774 1.00 0.00 0.176 C +ATOM 982 N ASP A 133 143.295 198.606 197.634 1.00 0.00 -0.343 N +ATOM 983 CB ASP A 133 141.683 199.559 199.213 1.00 0.00 0.087 C +ATOM 984 CG ASP A 133 140.859 198.322 199.526 1.00 0.00 0.044 C +ATOM 985 OD1 ASP A 133 140.187 197.803 198.613 1.00 0.00 -0.548 OA +ATOM 986 OD2 ASP A 133 140.879 197.869 200.688 1.00 0.00 -0.549 OA +ATOM 987 H ASP A 133 143.851 198.608 198.289 1.00 0.00 0.164 HD +ATOM 988 C TYR A 134 145.324 202.626 195.649 1.00 0.00 0.243 C +ATOM 989 O TYR A 134 146.455 202.153 195.739 1.00 0.00 -0.272 OA +ATOM 990 CA TYR A 134 144.357 202.576 196.824 1.00 0.00 0.175 C +ATOM 991 N TYR A 134 143.873 201.226 197.098 1.00 0.00 -0.343 N +ATOM 992 CB TYR A 134 145.022 203.159 198.074 1.00 0.00 0.070 C +ATOM 993 CG TYR A 134 144.044 203.431 199.192 1.00 0.00 -0.045 A +ATOM 994 CD1 TYR A 134 143.387 204.651 199.282 1.00 0.00 0.007 A +ATOM 995 CD2 TYR A 134 143.764 202.467 200.150 1.00 0.00 0.007 A +ATOM 996 CE1 TYR A 134 142.486 204.905 200.300 1.00 0.00 0.046 A +ATOM 997 CE2 TYR A 134 142.862 202.710 201.169 1.00 0.00 0.046 A +ATOM 998 CZ TYR A 134 142.226 203.932 201.239 1.00 0.00 0.115 A +ATOM 999 OH TYR A 134 141.328 204.180 202.253 1.00 0.00 -0.507 OA +ATOM 1000 HH TYR A 134 141.016 204.957 202.177 1.00 0.00 0.294 HD +ATOM 1001 H TYR A 134 144.478 200.617 197.047 1.00 0.00 0.164 HD +ATOM 1002 C GLY A 135 146.273 204.833 193.382 1.00 0.00 0.239 C +ATOM 1003 O GLY A 135 146.817 205.295 192.382 1.00 0.00 -0.273 OA +ATOM 1004 CA GLY A 135 145.688 203.433 193.377 1.00 0.00 0.216 C +ATOM 1005 N GLY A 135 144.858 203.203 194.545 1.00 0.00 -0.346 N +ATOM 1006 H GLY A 135 144.048 203.475 194.450 1.00 0.00 0.164 HD +ATOM 1007 C TYR A 136 147.469 206.720 196.123 1.00 0.00 0.243 C +ATOM 1008 O TYR A 136 147.023 205.971 196.990 1.00 0.00 -0.272 OA +ATOM 1009 CA TYR A 136 146.811 206.785 194.752 1.00 0.00 0.175 C +ATOM 1010 N TYR A 136 146.137 205.515 194.514 1.00 0.00 -0.343 N +ATOM 1011 CB TYR A 136 145.832 207.958 194.676 1.00 0.00 0.070 C +ATOM 1012 CG TYR A 136 144.658 207.836 195.623 1.00 0.00 -0.045 A +ATOM 1013 CD1 TYR A 136 143.498 207.178 195.239 1.00 0.00 0.007 A +ATOM 1014 CD2 TYR A 136 144.710 208.376 196.902 1.00 0.00 0.007 A +ATOM 1015 CE1 TYR A 136 142.428 207.062 196.097 1.00 0.00 0.046 A +ATOM 1016 CE2 TYR A 136 143.641 208.262 197.766 1.00 0.00 0.046 A +ATOM 1017 CZ TYR A 136 142.503 207.605 197.358 1.00 0.00 0.115 A +ATOM 1018 OH TYR A 136 141.436 207.490 198.212 1.00 0.00 -0.507 OA +ATOM 1019 HH TYR A 136 140.812 207.070 197.837 1.00 0.00 0.294 HD +ATOM 1020 H TYR A 136 145.648 205.257 195.173 1.00 0.00 0.164 HD +ATOM 1021 C LYS A 137 148.292 208.030 198.688 1.00 0.00 0.242 C +ATOM 1022 O LYS A 137 147.644 209.061 198.520 1.00 0.00 -0.273 OA +ATOM 1023 CA LYS A 137 149.219 207.505 197.603 1.00 0.00 0.171 C +ATOM 1024 N LYS A 137 148.534 207.488 196.316 1.00 0.00 -0.344 N +ATOM 1025 CB LYS A 137 150.490 208.356 197.544 1.00 0.00 0.035 C +ATOM 1026 CG LYS A 137 151.711 207.632 196.999 1.00 0.00 0.008 C +ATOM 1027 CD LYS A 137 151.951 207.967 195.551 1.00 0.00 0.061 C +ATOM 1028 CE LYS A 137 153.242 207.359 195.044 1.00 0.00 0.258 C +ATOM 1029 NZ LYS A 137 153.325 207.488 193.563 1.00 0.00 -0.357 N +ATOM 1030 HZ1 LYS A 137 154.085 207.130 193.269 1.00 0.00 0.345 HD +ATOM 1031 HZ2 LYS A 137 152.640 207.067 193.183 1.00 0.00 0.345 HD +ATOM 1032 HZ3 LYS A 137 153.301 208.347 193.331 1.00 0.00 0.345 HD +ATOM 1033 H LYS A 137 148.879 208.006 195.722 1.00 0.00 0.164 HD +ATOM 1034 C SER A 138 148.057 207.165 202.217 1.00 0.00 0.244 C +ATOM 1035 O SER A 138 148.826 206.203 202.185 1.00 0.00 -0.272 OA +ATOM 1036 CA SER A 138 147.427 207.699 200.943 1.00 0.00 0.197 C +ATOM 1037 N SER A 138 148.226 207.299 199.794 1.00 0.00 -0.342 N +ATOM 1038 CB SER A 138 145.995 207.188 200.816 1.00 0.00 0.191 C +ATOM 1039 OG SER A 138 145.953 205.777 200.915 1.00 0.00 -0.392 OA +ATOM 1040 HG SER A 138 145.161 205.507 200.844 1.00 0.00 0.210 HD +ATOM 1041 H SER A 138 148.642 206.554 199.904 1.00 0.00 0.164 HD +ATOM 1042 C TRP A 139 147.657 206.002 205.024 1.00 0.00 0.242 C +ATOM 1043 O TRP A 139 148.293 205.234 205.741 1.00 0.00 -0.272 OA +ATOM 1044 CA TRP A 139 148.249 207.343 204.617 1.00 0.00 0.175 C +ATOM 1045 N TRP A 139 147.723 207.786 203.341 1.00 0.00 -0.343 N +ATOM 1046 CB TRP A 139 147.979 208.369 205.708 1.00 0.00 0.072 C +ATOM 1047 CG TRP A 139 148.799 208.087 206.906 1.00 0.00 -0.020 A +ATOM 1048 CD1 TRP A 139 148.414 207.418 208.030 1.00 0.00 0.087 A +ATOM 1049 CD2 TRP A 139 150.172 208.430 207.091 1.00 0.00 0.003 A +ATOM 1050 NE1 TRP A 139 149.462 207.337 208.912 1.00 0.00 -0.359 N +ATOM 1051 CE2 TRP A 139 150.554 207.952 208.357 1.00 0.00 0.046 A +ATOM 1052 CE3 TRP A 139 151.113 209.105 206.311 1.00 0.00 0.010 A +ATOM 1053 HE1 TRP A 139 149.438 206.961 209.685 1.00 0.00 0.166 HD +ATOM 1054 CZ2 TRP A 139 151.837 208.126 208.861 1.00 0.00 0.026 A +ATOM 1055 CZ3 TRP A 139 152.382 209.281 206.815 1.00 0.00 0.001 A +ATOM 1056 CH2 TRP A 139 152.735 208.792 208.077 1.00 0.00 0.002 A +ATOM 1057 H TRP A 139 147.196 208.464 203.389 1.00 0.00 0.164 HD +ATOM 1058 C GLU A 140 146.623 203.324 204.216 1.00 0.00 0.242 C +ATOM 1059 O GLU A 140 146.873 202.295 204.839 1.00 0.00 -0.273 OA +ATOM 1060 CA GLU A 140 145.807 204.444 204.851 1.00 0.00 0.171 C +ATOM 1061 N GLU A 140 146.438 205.727 204.575 1.00 0.00 -0.344 N +ATOM 1062 CB GLU A 140 144.368 204.417 204.327 1.00 0.00 0.041 C +ATOM 1063 CG GLU A 140 143.640 203.102 204.576 1.00 0.00 0.055 C +ATOM 1064 CD GLU A 140 143.500 202.772 206.051 1.00 0.00 0.041 C +ATOM 1065 OE1 GLU A 140 143.480 203.708 206.879 1.00 0.00 -0.548 OA +ATOM 1066 OE2 GLU A 140 143.412 201.573 206.384 1.00 0.00 -0.549 OA +ATOM 1067 H GLU A 140 145.956 206.266 204.109 1.00 0.00 0.164 HD +ATOM 1068 C ALA A 141 149.188 202.337 202.835 1.00 0.00 0.243 C +ATOM 1069 O ALA A 141 149.687 201.214 202.912 1.00 0.00 -0.272 OA +ATOM 1070 CA ALA A 141 147.796 202.530 202.240 1.00 0.00 0.168 C +ATOM 1071 N ALA A 141 147.042 203.536 202.974 1.00 0.00 -0.344 N +ATOM 1072 CB ALA A 141 147.897 202.912 200.776 1.00 0.00 0.041 C +ATOM 1073 H ALA A 141 146.902 204.260 202.531 1.00 0.00 0.164 HD +ATOM 1074 C PHE A 142 151.129 202.658 205.214 1.00 0.00 0.243 C +ATOM 1075 O PHE A 142 151.933 201.763 205.473 1.00 0.00 -0.272 OA +ATOM 1076 CA PHE A 142 151.142 203.339 203.849 1.00 0.00 0.175 C +ATOM 1077 N PHE A 142 149.815 203.429 203.259 1.00 0.00 -0.343 N +ATOM 1078 CB PHE A 142 151.779 204.718 204.010 1.00 0.00 0.070 C +ATOM 1079 CG PHE A 142 152.899 204.729 205.005 1.00 0.00 -0.045 A +ATOM 1080 CD1 PHE A 142 154.118 204.154 204.696 1.00 0.00 0.004 A +ATOM 1081 CD2 PHE A 142 152.720 205.268 206.266 1.00 0.00 0.004 A +ATOM 1082 CE1 PHE A 142 155.146 204.137 205.619 1.00 0.00 0.000 A +ATOM 1083 CE2 PHE A 142 153.744 205.253 207.191 1.00 0.00 0.000 A +ATOM 1084 CZ PHE A 142 154.957 204.687 206.867 1.00 0.00 0.000 A +ATOM 1085 H PHE A 142 149.497 204.227 203.216 1.00 0.00 0.164 HD +ATOM 1086 C SER A 143 149.664 201.424 207.873 1.00 0.00 0.244 C +ATOM 1087 O SER A 143 150.054 200.809 208.863 1.00 0.00 -0.272 OA +ATOM 1088 CA SER A 143 150.287 202.769 207.501 1.00 0.00 0.197 C +ATOM 1089 N SER A 143 150.216 203.089 206.079 1.00 0.00 -0.342 N +ATOM 1090 CB SER A 143 149.609 203.878 208.312 1.00 0.00 0.191 C +ATOM 1091 OG SER A 143 148.212 203.899 208.085 1.00 0.00 -0.392 OA +ATOM 1092 HG SER A 143 148.055 204.035 207.271 1.00 0.00 0.210 HD +ATOM 1093 H SER A 143 149.539 203.574 205.864 1.00 0.00 0.164 HD +ATOM 1094 C ASN A 144 148.704 198.504 207.026 1.00 0.00 0.242 C +ATOM 1095 O ASN A 144 148.712 198.117 205.858 1.00 0.00 -0.273 OA +ATOM 1096 CA ASN A 144 147.945 199.767 207.429 1.00 0.00 0.180 C +ATOM 1097 N ASN A 144 148.697 200.969 207.087 1.00 0.00 -0.342 N +ATOM 1098 CB ASN A 144 146.569 199.813 206.764 1.00 0.00 0.134 C +ATOM 1099 CG ASN A 144 145.613 198.763 207.302 1.00 0.00 0.220 C +ATOM 1100 OD1 ASN A 144 146.010 197.666 207.681 1.00 0.00 -0.275 OA +ATOM 1101 ND2 ASN A 144 144.334 199.104 207.331 1.00 0.00 -0.368 N +ATOM 1102 HD22 ASN A 144 144.094 199.879 207.045 1.00 0.00 0.159 HD +ATOM 1103 HD21 ASN A 144 143.630 198.445 207.694 1.00 0.00 0.159 HD +ATOM 1104 H ASN A 144 148.454 201.338 206.349 1.00 0.00 0.164 HD +ATOM 1105 C LEU A 145 149.485 195.446 207.418 1.00 0.00 0.243 C +ATOM 1106 O LEU A 145 150.116 194.430 207.132 1.00 0.00 -0.272 OA +ATOM 1107 CA LEU A 145 150.224 196.737 207.769 1.00 0.00 0.172 C +ATOM 1108 N LEU A 145 149.329 197.865 208.010 1.00 0.00 -0.345 N +ATOM 1109 CB LEU A 145 151.106 196.494 208.997 1.00 0.00 0.038 C +ATOM 1110 CG LEU A 145 151.991 197.657 209.460 1.00 0.00 -0.015 C +ATOM 1111 CD1 LEU A 145 152.755 197.268 210.713 1.00 0.00 0.007 C +ATOM 1112 CD2 LEU A 145 152.953 198.088 208.369 1.00 0.00 0.007 C +ATOM 1113 H LEU A 145 149.250 198.070 208.842 1.00 0.00 0.165 HD +ATOM 1114 C SER A 146 147.230 194.027 205.674 1.00 0.00 0.244 C +ATOM 1115 O SER A 146 146.826 192.941 205.273 1.00 0.00 -0.272 OA +ATOM 1116 CA SER A 146 147.364 194.290 207.168 1.00 0.00 0.197 C +ATOM 1117 N SER A 146 148.157 195.484 207.436 1.00 0.00 -0.342 N +ATOM 1118 CB SER A 146 145.977 194.409 207.798 1.00 0.00 0.191 C +ATOM 1119 OG SER A 146 146.070 194.420 209.208 1.00 0.00 -0.392 OA +ATOM 1120 HG SER A 146 145.304 194.485 209.546 1.00 0.00 0.210 HD +ATOM 1121 H SER A 146 147.691 196.188 207.601 1.00 0.00 0.164 HD +ATOM 1122 C TYR A 147 148.878 194.324 202.871 1.00 0.00 0.243 C +ATOM 1123 O TYR A 147 149.946 194.700 203.352 1.00 0.00 -0.272 OA +ATOM 1124 CA TYR A 147 147.558 194.860 203.406 1.00 0.00 0.175 C +ATOM 1125 N TYR A 147 147.569 195.019 204.856 1.00 0.00 -0.343 N +ATOM 1126 CB TYR A 147 147.297 196.193 202.704 1.00 0.00 0.070 C +ATOM 1127 CG TYR A 147 145.899 196.760 202.778 1.00 0.00 -0.045 A +ATOM 1128 CD1 TYR A 147 145.527 197.605 203.814 1.00 0.00 0.007 A +ATOM 1129 CD2 TYR A 147 144.969 196.505 201.775 1.00 0.00 0.007 A +ATOM 1130 CE1 TYR A 147 144.266 198.150 203.868 1.00 0.00 0.046 A +ATOM 1131 CE2 TYR A 147 143.703 197.048 201.824 1.00 0.00 0.046 A +ATOM 1132 CZ TYR A 147 143.358 197.870 202.872 1.00 0.00 0.115 A +ATOM 1133 OH TYR A 147 142.102 198.416 202.931 1.00 0.00 -0.507 OA +ATOM 1134 HH TYR A 147 141.650 198.168 202.268 1.00 0.00 0.294 HD +ATOM 1135 H TYR A 147 147.811 195.801 205.119 1.00 0.00 0.164 HD +ATOM 1136 C TYR A 148 150.049 194.664 200.225 1.00 0.00 0.243 C +ATOM 1137 O TYR A 148 149.040 195.293 199.905 1.00 0.00 -0.272 OA +ATOM 1138 CA TYR A 148 149.913 193.322 200.934 1.00 0.00 0.175 C +ATOM 1139 N TYR A 148 148.803 193.464 201.863 1.00 0.00 -0.343 N +ATOM 1140 CB TYR A 148 149.672 192.212 199.910 1.00 0.00 0.070 C +ATOM 1141 CG TYR A 148 149.755 190.800 200.439 1.00 0.00 -0.045 A +ATOM 1142 CD1 TYR A 148 150.971 190.246 200.816 1.00 0.00 0.007 A +ATOM 1143 CD2 TYR A 148 148.620 190.006 200.522 1.00 0.00 0.007 A +ATOM 1144 CE1 TYR A 148 151.048 188.948 201.284 1.00 0.00 0.046 A +ATOM 1145 CE2 TYR A 148 148.688 188.711 200.987 1.00 0.00 0.046 A +ATOM 1146 CZ TYR A 148 149.903 188.186 201.366 1.00 0.00 0.115 A +ATOM 1147 OH TYR A 148 149.969 186.894 201.829 1.00 0.00 -0.507 OA +ATOM 1148 HH TYR A 148 149.203 186.549 201.826 1.00 0.00 0.294 HD +ATOM 1149 H TYR A 148 148.129 192.957 201.697 1.00 0.00 0.164 HD +ATOM 1150 C THR A 149 151.442 196.018 197.747 1.00 0.00 0.245 C +ATOM 1151 O THR A 149 151.380 194.848 197.374 1.00 0.00 -0.273 OA +ATOM 1152 CA THR A 149 151.475 196.350 199.237 1.00 0.00 0.199 C +ATOM 1153 N THR A 149 151.275 195.115 199.985 1.00 0.00 -0.341 N +ATOM 1154 CB THR A 149 152.799 197.054 199.623 1.00 0.00 0.143 C +ATOM 1155 CG2 THR A 149 154.011 196.280 199.118 1.00 0.00 0.041 C +ATOM 1156 OG1 THR A 149 152.814 198.387 199.094 1.00 0.00 -0.389 OA +ATOM 1157 HG1 THR A 149 152.750 198.365 198.257 1.00 0.00 0.211 HD +ATOM 1158 H THR A 149 152.000 194.730 200.241 1.00 0.00 0.164 HD +ATOM 1159 C ARG A 150 152.464 197.590 194.690 1.00 0.00 0.242 C +ATOM 1160 O ARG A 150 152.743 198.759 194.947 1.00 0.00 -0.273 OA +ATOM 1161 CA ARG A 150 151.374 196.851 195.460 1.00 0.00 0.171 C +ATOM 1162 N ARG A 150 151.462 197.044 196.903 1.00 0.00 -0.344 N +ATOM 1163 CB ARG A 150 149.997 197.295 194.969 1.00 0.00 0.038 C +ATOM 1164 CG ARG A 150 148.889 196.329 195.340 1.00 0.00 0.040 C +ATOM 1165 CD ARG A 150 148.905 195.114 194.429 1.00 0.00 0.197 C +ATOM 1166 NE ARG A 150 148.285 195.405 193.140 1.00 0.00 -0.278 N +ATOM 1167 HE ARG A 150 148.798 195.648 192.494 1.00 0.00 0.260 HD +ATOM 1168 CZ ARG A 150 146.981 195.320 192.899 1.00 0.00 0.339 C +ATOM 1169 NH1 ARG A 150 146.141 194.949 193.855 1.00 0.00 -0.290 N +ATOM 1170 NH2 ARG A 150 146.512 195.608 191.694 1.00 0.00 -0.290 N +ATOM 1171 HH12 ARG A 150 146.438 194.761 194.640 1.00 0.00 0.256 HD +ATOM 1172 HH11 ARG A 150 145.298 194.896 193.691 1.00 0.00 0.256 HD +ATOM 1173 HH22 ARG A 150 147.051 195.849 191.069 1.00 0.00 0.256 HD +ATOM 1174 HH21 ARG A 150 145.669 195.552 191.536 1.00 0.00 0.256 HD +ATOM 1175 H ARG A 150 151.526 197.868 197.142 1.00 0.00 0.164 HD +ATOM 1176 C ALA A 151 153.463 198.340 191.817 1.00 0.00 0.243 C +ATOM 1177 O ALA A 151 153.966 199.417 191.498 1.00 0.00 -0.272 OA +ATOM 1178 CA ALA A 151 154.106 197.472 192.895 1.00 0.00 0.168 C +ATOM 1179 N ALA A 151 153.081 196.886 193.746 1.00 0.00 -0.344 N +ATOM 1180 CB ALA A 151 154.960 196.387 192.269 1.00 0.00 0.041 C +ATOM 1181 H ALA A 151 152.922 196.058 193.579 1.00 0.00 0.164 HD +ATOM 1182 C LEU A 152 150.145 198.857 191.033 1.00 0.00 0.243 C +ATOM 1183 O LEU A 152 149.605 197.930 191.634 1.00 0.00 -0.272 OA +ATOM 1184 CA LEU A 152 151.506 198.661 190.381 1.00 0.00 0.172 C +ATOM 1185 N LEU A 152 152.357 197.856 191.255 1.00 0.00 -0.345 N +ATOM 1186 CB LEU A 152 151.330 198.006 189.009 1.00 0.00 0.038 C +ATOM 1187 CG LEU A 152 152.468 198.118 187.993 1.00 0.00 -0.015 C +ATOM 1188 CD1 LEU A 152 152.059 197.426 186.706 1.00 0.00 0.007 C +ATOM 1189 CD2 LEU A 152 152.844 199.569 187.723 1.00 0.00 0.007 C +ATOM 1190 H LEU A 152 152.075 197.051 191.366 1.00 0.00 0.165 HD +ATOM 1191 C PRO A 153 147.167 199.499 190.890 1.00 0.00 0.243 C +ATOM 1192 O PRO A 153 147.329 199.071 189.746 1.00 0.00 -0.271 OA +ATOM 1193 CA PRO A 153 148.282 200.293 191.556 1.00 0.00 0.175 C +ATOM 1194 N PRO A 153 149.575 200.062 190.908 1.00 0.00 -0.329 N +ATOM 1195 CB PRO A 153 148.069 201.797 191.384 1.00 0.00 0.037 C +ATOM 1196 CG PRO A 153 148.836 202.146 190.161 1.00 0.00 0.024 C +ATOM 1197 CD PRO A 153 150.024 201.232 190.134 1.00 0.00 0.121 C +ATOM 1198 C PRO A 154 144.306 199.371 189.842 1.00 0.00 0.243 C +ATOM 1199 O PRO A 154 144.343 200.602 189.834 1.00 0.00 -0.271 OA +ATOM 1200 CA PRO A 154 144.903 198.600 191.009 1.00 0.00 0.175 C +ATOM 1201 N PRO A 154 146.051 199.292 191.600 1.00 0.00 -0.329 N +ATOM 1202 CB PRO A 154 143.906 198.515 192.170 1.00 0.00 0.037 C +ATOM 1203 CG PRO A 154 144.312 199.604 193.102 1.00 0.00 0.024 C +ATOM 1204 CD PRO A 154 145.799 199.674 192.998 1.00 0.00 0.121 C +ATOM 1205 C VAL A 155 141.814 199.961 188.412 1.00 0.00 0.243 C +ATOM 1206 O VAL A 155 141.085 199.332 189.177 1.00 0.00 -0.272 OA +ATOM 1207 CA VAL A 155 143.023 199.270 187.787 1.00 0.00 0.173 C +ATOM 1208 N VAL A 155 143.774 198.648 188.865 1.00 0.00 -0.343 N +ATOM 1209 CB VAL A 155 142.561 198.242 186.736 1.00 0.00 0.015 C +ATOM 1210 CG1 VAL A 155 141.786 198.925 185.608 1.00 0.00 0.010 C +ATOM 1211 CG2 VAL A 155 143.755 197.478 186.178 1.00 0.00 0.010 C +ATOM 1212 H VAL A 155 143.835 197.792 188.804 1.00 0.00 0.164 HD +ATOM 1213 C PRO A 156 139.126 201.204 188.387 1.00 0.00 0.243 C +ATOM 1214 O PRO A 156 139.056 200.420 187.443 1.00 0.00 -0.271 OA +ATOM 1215 CA PRO A 156 140.433 201.930 188.694 1.00 0.00 0.175 C +ATOM 1216 N PRO A 156 141.602 201.257 188.112 1.00 0.00 -0.329 N +ATOM 1217 CB PRO A 156 140.459 203.327 188.054 1.00 0.00 0.037 C +ATOM 1218 CG PRO A 156 141.547 203.310 187.035 1.00 0.00 0.024 C +ATOM 1219 CD PRO A 156 142.464 202.191 187.369 1.00 0.00 0.121 C +ATOM 1220 C ASP A 157 136.115 200.842 187.840 1.00 0.00 0.242 C +ATOM 1221 O ASP A 157 135.990 199.884 187.077 1.00 0.00 -0.273 OA +ATOM 1222 CA ASP A 157 136.872 200.689 189.154 1.00 0.00 0.176 C +ATOM 1223 N ASP A 157 138.103 201.469 189.191 1.00 0.00 -0.343 N +ATOM 1224 CB ASP A 157 135.975 201.084 190.327 1.00 0.00 0.087 C +ATOM 1225 CG ASP A 157 136.638 200.845 191.670 1.00 0.00 0.044 C +ATOM 1226 OD1 ASP A 157 137.291 199.791 191.830 1.00 0.00 -0.548 OA +ATOM 1227 OD2 ASP A 157 136.518 201.712 192.560 1.00 0.00 -0.549 OA +ATOM 1228 H ASP A 157 138.096 202.103 189.773 1.00 0.00 0.164 HD +ATOM 1229 C ASP A 158 135.729 202.442 185.171 1.00 0.00 0.242 C +ATOM 1230 O ASP A 158 135.989 203.561 184.727 1.00 0.00 -0.273 OA +ATOM 1231 CA ASP A 158 134.810 202.271 186.378 1.00 0.00 0.176 C +ATOM 1232 N ASP A 158 135.605 202.040 187.578 1.00 0.00 -0.343 N +ATOM 1233 CB ASP A 158 133.901 203.496 186.556 1.00 0.00 0.087 C +ATOM 1234 CG ASP A 158 132.666 203.446 185.670 1.00 0.00 0.044 C +ATOM 1235 OD1 ASP A 158 132.130 202.340 185.448 1.00 0.00 -0.548 OA +ATOM 1236 OD2 ASP A 158 132.226 204.517 185.201 1.00 0.00 -0.549 OA +ATOM 1237 H ASP A 158 135.704 202.734 188.077 1.00 0.00 0.164 HD +ATOM 1238 CB CYS A 159 138.426 200.670 183.784 1.00 0.00 0.116 C +ATOM 1239 SG CYS A 159 139.632 201.811 184.475 1.00 0.00 -0.092 SA +ATOM 1240 CA CYS A 159 137.076 201.314 183.472 1.00 0.00 0.183 C +ATOM 1241 C CYS A 159 136.405 200.572 182.320 1.00 0.00 0.244 C +ATOM 1242 N CYS A 159 136.221 201.319 184.654 1.00 0.00 -0.343 N +ATOM 1243 O CYS A 159 135.601 199.670 182.551 1.00 0.00 -0.272 OA +ATOM 1244 H CYS A 159 136.071 200.535 184.976 1.00 0.00 0.164 HD +ATOM 1245 C PRO A 160 136.350 198.757 179.934 1.00 0.00 0.243 C +ATOM 1246 O PRO A 160 135.470 198.032 179.470 1.00 0.00 -0.271 OA +ATOM 1247 CA PRO A 160 136.184 200.273 179.891 1.00 0.00 0.175 C +ATOM 1248 N PRO A 160 136.736 200.948 181.072 1.00 0.00 -0.329 N +ATOM 1249 CB PRO A 160 136.991 200.878 178.742 1.00 0.00 0.037 C +ATOM 1250 CG PRO A 160 137.354 202.230 179.226 1.00 0.00 0.024 C +ATOM 1251 CD PRO A 160 137.598 202.083 180.694 1.00 0.00 0.121 C +ATOM 1252 C THR A 161 138.342 196.603 182.004 1.00 0.00 0.245 C +ATOM 1253 O THR A 161 138.824 197.530 182.653 1.00 0.00 -0.273 OA +ATOM 1254 CA THR A 161 137.715 196.866 180.638 1.00 0.00 0.199 C +ATOM 1255 N THR A 161 137.468 198.293 180.482 1.00 0.00 -0.341 N +ATOM 1256 CB THR A 161 138.643 196.317 179.534 1.00 0.00 0.143 C +ATOM 1257 CG2 THR A 161 138.252 196.869 178.172 1.00 0.00 0.041 C +ATOM 1258 OG1 THR A 161 140.000 196.671 179.823 1.00 0.00 -0.389 OA +ATOM 1259 HG1 THR A 161 140.508 196.374 179.223 1.00 0.00 0.211 HD +ATOM 1260 H THR A 161 138.106 198.791 180.774 1.00 0.00 0.164 HD +ATOM 1261 C PRO A 162 140.382 195.396 183.880 1.00 0.00 0.243 C +ATOM 1262 O PRO A 162 140.789 195.801 184.968 1.00 0.00 -0.271 OA +ATOM 1263 CA PRO A 162 138.926 194.959 183.734 1.00 0.00 0.175 C +ATOM 1264 N PRO A 162 138.328 195.337 182.449 1.00 0.00 -0.329 N +ATOM 1265 CB PRO A 162 138.816 193.433 183.726 1.00 0.00 0.037 C +ATOM 1266 CG PRO A 162 137.629 193.157 182.887 1.00 0.00 0.024 C +ATOM 1267 CD PRO A 162 137.644 194.198 181.812 1.00 0.00 0.121 C +ATOM 1268 C LEU A 163 142.823 197.121 182.542 1.00 0.00 0.243 C +ATOM 1269 O LEU A 163 143.930 197.616 182.745 1.00 0.00 -0.272 OA +ATOM 1270 CA LEU A 163 142.568 195.647 182.829 1.00 0.00 0.172 C +ATOM 1271 N LEU A 163 141.147 195.317 182.796 1.00 0.00 -0.345 N +ATOM 1272 CB LEU A 163 143.332 194.791 181.820 1.00 0.00 0.038 C +ATOM 1273 CG LEU A 163 143.247 193.280 182.033 1.00 0.00 -0.015 C +ATOM 1274 CD1 LEU A 163 143.952 192.555 180.908 1.00 0.00 0.007 C +ATOM 1275 CD2 LEU A 163 143.835 192.879 183.376 1.00 0.00 0.007 C +ATOM 1276 H LEU A 163 140.864 195.072 182.021 1.00 0.00 0.165 HD +ATOM 1277 C GLY A 164 141.071 199.544 180.512 1.00 0.00 0.239 C +ATOM 1278 O GLY A 164 139.871 199.784 180.621 1.00 0.00 -0.273 OA +ATOM 1279 CA GLY A 164 141.906 199.222 181.735 1.00 0.00 0.216 C +ATOM 1280 N GLY A 164 141.794 197.815 182.068 1.00 0.00 -0.346 N +ATOM 1281 H GLY A 164 141.012 197.485 181.929 1.00 0.00 0.164 HD +ATOM 1282 C VAL A 165 141.211 198.536 177.167 1.00 0.00 0.243 C +ATOM 1283 O VAL A 165 140.345 198.223 176.352 1.00 0.00 -0.272 OA +ATOM 1284 CA VAL A 165 141.029 199.749 178.074 1.00 0.00 0.173 C +ATOM 1285 N VAL A 165 141.715 199.545 179.347 1.00 0.00 -0.343 N +ATOM 1286 CB VAL A 165 141.538 201.013 177.344 1.00 0.00 0.015 C +ATOM 1287 CG1 VAL A 165 141.205 202.261 178.146 1.00 0.00 0.010 C +ATOM 1288 CG2 VAL A 165 143.037 200.925 177.084 1.00 0.00 0.010 C +ATOM 1289 H VAL A 165 142.563 199.427 179.267 1.00 0.00 0.164 HD +ATOM 1290 C LYS A 166 141.812 195.479 176.881 1.00 0.00 0.242 C +ATOM 1291 O LYS A 166 141.258 195.417 177.978 1.00 0.00 -0.273 OA +ATOM 1292 CA LYS A 166 142.659 196.691 176.499 1.00 0.00 0.171 C +ATOM 1293 N LYS A 166 142.341 197.855 177.319 1.00 0.00 -0.344 N +ATOM 1294 CB LYS A 166 144.144 196.346 176.628 1.00 0.00 0.035 C +ATOM 1295 CG LYS A 166 145.085 197.425 176.115 1.00 0.00 0.008 C +ATOM 1296 CD LYS A 166 145.023 197.541 174.602 1.00 0.00 0.061 C +ATOM 1297 CE LYS A 166 146.063 198.514 174.074 1.00 0.00 0.258 C +ATOM 1298 NZ LYS A 166 146.056 198.577 172.585 1.00 0.00 -0.357 N +ATOM 1299 HZ1 LYS A 166 146.672 199.153 172.302 1.00 0.00 0.345 HD +ATOM 1300 HZ2 LYS A 166 146.233 197.774 172.245 1.00 0.00 0.345 HD +ATOM 1301 HZ3 LYS A 166 145.257 198.843 172.296 1.00 0.00 0.345 HD +ATOM 1302 H LYS A 166 142.948 198.049 177.897 1.00 0.00 0.164 HD +ATOM 1303 C GLY A 167 139.496 193.431 176.004 1.00 0.00 0.239 C +ATOM 1304 O GLY A 167 139.007 194.508 175.664 1.00 0.00 -0.273 OA +ATOM 1305 CA GLY A 167 140.991 193.289 176.218 1.00 0.00 0.216 C +ATOM 1306 N GLY A 167 141.717 194.520 175.966 1.00 0.00 -0.346 N +ATOM 1307 H GLY A 167 142.070 194.563 175.183 1.00 0.00 0.164 HD +ATOM 1308 C GLN A 170 136.098 189.399 180.071 1.00 0.00 0.242 C +ATOM 1309 O GLN A 170 136.393 189.006 178.941 1.00 0.00 -0.273 OA +ATOM 1310 CA GLN A 170 134.849 190.240 180.298 1.00 0.00 0.171 C +ATOM 1311 N GLN A 170 134.794 191.327 179.326 1.00 0.00 -0.343 N +ATOM 1312 CB GLN A 170 133.597 189.367 180.193 1.00 0.00 0.045 C +ATOM 1313 CG GLN A 170 133.462 188.330 181.296 1.00 0.00 0.102 C +ATOM 1314 CD GLN A 170 132.328 187.357 181.041 1.00 0.00 0.217 C +ATOM 1315 OE1 GLN A 170 132.421 186.495 180.167 1.00 0.00 -0.275 OA +ATOM 1316 NE2 GLN A 170 131.248 187.494 181.801 1.00 0.00 -0.368 N +ATOM 1317 HE22 GLN A 170 131.219 188.110 182.400 1.00 0.00 0.159 HD +ATOM 1318 HE21 GLN A 170 130.578 186.965 181.695 1.00 0.00 0.159 HD +ATOM 1319 H GLN A 170 134.792 191.059 178.509 1.00 0.00 0.164 HD +ATOM 1320 C LEU A 171 137.657 186.867 180.759 1.00 0.00 0.243 C +ATOM 1321 O LEU A 171 136.572 186.420 181.130 1.00 0.00 -0.272 OA +ATOM 1322 CA LEU A 171 138.034 188.315 181.053 1.00 0.00 0.172 C +ATOM 1323 N LEU A 171 136.834 189.135 181.145 1.00 0.00 -0.345 N +ATOM 1324 CB LEU A 171 138.846 188.398 182.346 1.00 0.00 0.038 C +ATOM 1325 CG LEU A 171 139.539 189.735 182.609 1.00 0.00 -0.015 C +ATOM 1326 CD1 LEU A 171 139.977 189.834 184.061 1.00 0.00 0.007 C +ATOM 1327 CD2 LEU A 171 140.730 189.916 181.676 1.00 0.00 0.007 C +ATOM 1328 H LEU A 171 136.660 189.420 181.937 1.00 0.00 0.165 HD +ATOM 1329 C PRO A 172 138.013 183.874 181.007 1.00 0.00 0.243 C +ATOM 1330 O PRO A 172 138.494 184.205 182.089 1.00 0.00 -0.271 OA +ATOM 1331 CA PRO A 172 138.274 184.722 179.765 1.00 0.00 0.175 C +ATOM 1332 N PRO A 172 138.550 186.128 180.084 1.00 0.00 -0.329 N +ATOM 1333 CB PRO A 172 139.549 184.263 179.044 1.00 0.00 0.037 C +ATOM 1334 CG PRO A 172 140.577 185.303 179.340 1.00 0.00 0.024 C +ATOM 1335 CD PRO A 172 139.844 186.573 179.541 1.00 0.00 0.121 C +ATOM 1336 C ASP A 173 138.282 181.322 182.492 1.00 0.00 0.242 C +ATOM 1337 O ASP A 173 139.142 180.867 181.739 1.00 0.00 -0.273 OA +ATOM 1338 CA ASP A 173 136.974 181.873 181.935 1.00 0.00 0.176 C +ATOM 1339 N ASP A 173 137.246 182.800 180.843 1.00 0.00 -0.343 N +ATOM 1340 CB ASP A 173 136.070 180.735 181.456 1.00 0.00 0.087 C +ATOM 1341 CG ASP A 173 136.017 179.581 182.435 1.00 0.00 0.044 C +ATOM 1342 OD1 ASP A 173 136.747 178.590 182.226 1.00 0.00 -0.548 OA +ATOM 1343 OD2 ASP A 173 135.248 179.665 183.414 1.00 0.00 -0.549 OA +ATOM 1344 H ASP A 173 136.868 182.586 180.101 1.00 0.00 0.164 HD +ATOM 1345 C SER A 174 139.991 179.538 184.409 1.00 0.00 0.244 C +ATOM 1346 O SER A 174 141.140 179.134 184.241 1.00 0.00 -0.272 OA +ATOM 1347 CA SER A 174 139.697 181.036 184.450 1.00 0.00 0.197 C +ATOM 1348 N SER A 174 138.428 181.369 183.812 1.00 0.00 -0.342 N +ATOM 1349 CB SER A 174 139.709 181.534 185.899 1.00 0.00 0.191 C +ATOM 1350 OG SER A 174 138.604 181.029 186.628 1.00 0.00 -0.392 OA +ATOM 1351 HG SER A 174 138.628 181.313 187.419 1.00 0.00 0.210 HD +ATOM 1352 H SER A 174 137.806 181.592 184.363 1.00 0.00 0.164 HD +ATOM 1353 C ASN A 175 139.548 176.823 183.099 1.00 0.00 0.242 C +ATOM 1354 O ASN A 175 140.256 175.828 182.937 1.00 0.00 -0.273 OA +ATOM 1355 CA ASN A 175 139.129 177.268 184.497 1.00 0.00 0.180 C +ATOM 1356 N ASN A 175 138.958 178.716 184.560 1.00 0.00 -0.342 N +ATOM 1357 CB ASN A 175 137.842 176.555 184.913 1.00 0.00 0.134 C +ATOM 1358 CG ASN A 175 137.879 175.067 184.623 1.00 0.00 0.220 C +ATOM 1359 OD1 ASN A 175 138.575 174.307 185.296 1.00 0.00 -0.275 OA +ATOM 1360 ND2 ASN A 175 137.120 174.643 183.620 1.00 0.00 -0.368 N +ATOM 1361 HD22 ASN A 175 137.105 173.807 183.415 1.00 0.00 0.159 HD +ATOM 1362 HD21 ASN A 175 136.643 175.203 183.175 1.00 0.00 0.159 HD +ATOM 1363 H ASN A 175 138.148 178.970 184.699 1.00 0.00 0.164 HD +ATOM 1364 C GLU A 176 140.961 177.637 180.487 1.00 0.00 0.242 C +ATOM 1365 O GLU A 176 141.671 176.907 179.797 1.00 0.00 -0.273 OA +ATOM 1366 CA GLU A 176 139.490 177.298 180.713 1.00 0.00 0.171 C +ATOM 1367 N GLU A 176 139.109 177.570 182.092 1.00 0.00 -0.344 N +ATOM 1368 CB GLU A 176 138.603 178.088 179.751 1.00 0.00 0.041 C +ATOM 1369 CG GLU A 176 138.859 177.792 178.282 1.00 0.00 0.055 C +ATOM 1370 CD GLU A 176 137.820 178.414 177.367 1.00 0.00 0.041 C +ATOM 1371 OE1 GLU A 176 136.782 178.893 177.873 1.00 0.00 -0.548 OA +ATOM 1372 OE2 GLU A 176 138.041 178.424 176.139 1.00 0.00 -0.549 OA +ATOM 1373 H GLU A 176 138.585 178.246 182.183 1.00 0.00 0.164 HD +ATOM 1374 C ILE A 177 143.673 178.016 181.610 1.00 0.00 0.243 C +ATOM 1375 O ILE A 177 144.722 177.674 181.071 1.00 0.00 -0.272 OA +ATOM 1376 CA ILE A 177 142.816 179.123 181.015 1.00 0.00 0.174 C +ATOM 1377 N ILE A 177 141.409 178.745 181.070 1.00 0.00 -0.343 N +ATOM 1378 CB ILE A 177 143.086 180.443 181.772 1.00 0.00 0.018 C +ATOM 1379 CG2 ILE A 177 144.595 180.675 181.957 1.00 0.00 0.010 C +ATOM 1380 CG1 ILE A 177 142.468 181.620 181.016 1.00 0.00 0.002 C +ATOM 1381 CD1 ILE A 177 142.566 182.941 181.744 1.00 0.00 0.004 C +ATOM 1382 H ILE A 177 140.915 179.297 181.507 1.00 0.00 0.164 HD +ATOM 1383 C VAL A 178 144.139 175.187 182.584 1.00 0.00 0.243 C +ATOM 1384 O VAL A 178 145.258 174.753 182.307 1.00 0.00 -0.272 OA +ATOM 1385 CA VAL A 178 143.979 176.441 183.434 1.00 0.00 0.173 C +ATOM 1386 N VAL A 178 143.220 177.463 182.727 1.00 0.00 -0.343 N +ATOM 1387 CB VAL A 178 143.306 176.075 184.771 1.00 0.00 0.015 C +ATOM 1388 CG1 VAL A 178 143.930 174.831 185.381 1.00 0.00 0.010 C +ATOM 1389 CG2 VAL A 178 143.410 177.239 185.742 1.00 0.00 0.010 C +ATOM 1390 H VAL A 178 142.470 177.663 183.099 1.00 0.00 0.164 HD +ATOM 1391 C GLU A 179 143.768 173.492 180.099 1.00 0.00 0.242 C +ATOM 1392 O GLU A 179 144.574 172.634 179.742 1.00 0.00 -0.273 OA +ATOM 1393 CA GLU A 179 143.023 173.358 181.425 1.00 0.00 0.171 C +ATOM 1394 N GLU A 179 143.016 174.607 182.177 1.00 0.00 -0.344 N +ATOM 1395 CB GLU A 179 141.588 172.889 181.176 1.00 0.00 0.041 C +ATOM 1396 CG GLU A 179 140.848 172.506 182.450 1.00 0.00 0.055 C +ATOM 1397 CD GLU A 179 139.427 172.040 182.192 1.00 0.00 0.041 C +ATOM 1398 OE1 GLU A 179 138.902 172.297 181.087 1.00 0.00 -0.548 OA +ATOM 1399 OE2 GLU A 179 138.835 171.413 183.097 1.00 0.00 -0.549 OA +ATOM 1400 H GLU A 179 142.229 174.920 182.326 1.00 0.00 0.164 HD +ATOM 1401 C LYS A 180 145.592 175.094 178.119 1.00 0.00 0.242 C +ATOM 1402 O LYS A 180 146.331 174.731 177.204 1.00 0.00 -0.273 OA +ATOM 1403 CA LYS A 180 144.096 174.783 178.063 1.00 0.00 0.171 C +ATOM 1404 N LYS A 180 143.505 174.576 179.381 1.00 0.00 -0.344 N +ATOM 1405 CB LYS A 180 143.376 175.920 177.334 1.00 0.00 0.035 C +ATOM 1406 CG LYS A 180 141.904 175.666 177.051 1.00 0.00 0.008 C +ATOM 1407 CD LYS A 180 141.704 174.741 175.861 1.00 0.00 0.061 C +ATOM 1408 CE LYS A 180 140.258 174.751 175.384 1.00 0.00 0.258 C +ATOM 1409 NZ LYS A 180 139.811 176.111 174.962 1.00 0.00 -0.357 N +ATOM 1410 HZ1 LYS A 180 138.964 176.081 174.690 1.00 0.00 0.345 HD +ATOM 1411 HZ2 LYS A 180 139.876 176.678 175.645 1.00 0.00 0.345 HD +ATOM 1412 HZ3 LYS A 180 140.320 176.403 174.293 1.00 0.00 0.345 HD +ATOM 1413 H LYS A 180 142.985 175.212 179.635 1.00 0.00 0.164 HD +ATOM 1414 C LEU A 181 148.253 175.858 180.407 1.00 0.00 0.243 C +ATOM 1415 O LEU A 181 149.466 175.724 180.263 1.00 0.00 -0.272 OA +ATOM 1416 CA LEU A 181 147.392 176.317 179.231 1.00 0.00 0.172 C +ATOM 1417 N LEU A 181 146.035 175.761 179.185 1.00 0.00 -0.345 N +ATOM 1418 CB LEU A 181 147.320 177.845 179.256 1.00 0.00 0.038 C +ATOM 1419 CG LEU A 181 146.684 178.508 178.035 1.00 0.00 -0.015 C +ATOM 1420 CD1 LEU A 181 146.423 179.974 178.307 1.00 0.00 0.007 C +ATOM 1421 CD2 LEU A 181 147.578 178.343 176.819 1.00 0.00 0.007 C +ATOM 1422 H LEU A 181 145.572 175.906 179.894 1.00 0.00 0.165 HD +ATOM 1423 C LEU A 182 148.403 173.956 183.260 1.00 0.00 0.243 C +ATOM 1424 O LEU A 182 149.344 173.504 183.911 1.00 0.00 -0.272 OA +ATOM 1425 CA LEU A 182 148.407 175.408 182.795 1.00 0.00 0.172 C +ATOM 1426 N LEU A 182 147.642 175.632 181.567 1.00 0.00 -0.345 N +ATOM 1427 CB LEU A 182 147.864 176.296 183.920 1.00 0.00 0.038 C +ATOM 1428 CG LEU A 182 147.791 177.797 183.627 1.00 0.00 -0.015 C +ATOM 1429 CD1 LEU A 182 147.380 178.556 184.879 1.00 0.00 0.007 C +ATOM 1430 CD2 LEU A 182 149.113 178.329 183.086 1.00 0.00 0.007 C +ATOM 1431 H LEU A 182 146.789 175.603 181.672 1.00 0.00 0.165 HD +ATOM 1432 C LEU A 183 148.178 170.895 182.822 1.00 0.00 0.243 C +ATOM 1433 O LEU A 183 148.363 170.847 181.604 1.00 0.00 -0.272 OA +ATOM 1434 CA LEU A 183 147.167 171.870 183.426 1.00 0.00 0.172 C +ATOM 1435 N LEU A 183 147.346 173.227 182.925 1.00 0.00 -0.345 N +ATOM 1436 CB LEU A 183 145.742 171.399 183.141 1.00 0.00 0.038 C +ATOM 1437 CG LEU A 183 145.326 170.036 183.696 1.00 0.00 -0.015 C +ATOM 1438 CD1 LEU A 183 145.483 169.981 185.211 1.00 0.00 0.007 C +ATOM 1439 CD2 LEU A 183 143.892 169.751 183.297 1.00 0.00 0.007 C +ATOM 1440 H LEU A 183 146.715 173.496 182.406 1.00 0.00 0.165 HD +ATOM 1441 C ARG A 184 149.259 168.011 182.445 1.00 0.00 0.242 C +ATOM 1442 O ARG A 184 148.260 167.405 182.829 1.00 0.00 -0.273 OA +ATOM 1443 CA ARG A 184 149.840 169.157 183.262 1.00 0.00 0.171 C +ATOM 1444 N ARG A 184 148.826 170.118 183.685 1.00 0.00 -0.344 N +ATOM 1445 CB ARG A 184 150.568 168.586 184.481 1.00 0.00 0.038 C +ATOM 1446 CG ARG A 184 151.513 167.432 184.168 1.00 0.00 0.040 C +ATOM 1447 CD ARG A 184 152.224 166.958 185.419 1.00 0.00 0.197 C +ATOM 1448 NE ARG A 184 153.062 168.003 185.999 1.00 0.00 -0.278 N +ATOM 1449 HE ARG A 184 153.215 168.704 185.525 1.00 0.00 0.260 HD +ATOM 1450 CZ ARG A 184 153.606 167.941 187.209 1.00 0.00 0.339 C +ATOM 1451 NH1 ARG A 184 153.398 166.885 187.984 1.00 0.00 -0.290 N +ATOM 1452 NH2 ARG A 184 154.356 168.940 187.649 1.00 0.00 -0.290 N +ATOM 1453 HH12 ARG A 184 152.912 166.234 187.702 1.00 0.00 0.256 HD +ATOM 1454 HH11 ARG A 184 153.751 166.849 188.767 1.00 0.00 0.256 HD +ATOM 1455 HH22 ARG A 184 154.492 169.628 187.150 1.00 0.00 0.256 HD +ATOM 1456 HH21 ARG A 184 154.707 168.902 188.433 1.00 0.00 0.256 HD +ATOM 1457 H ARG A 184 148.693 170.129 184.535 1.00 0.00 0.164 HD +ATOM 1458 C ARG A 185 150.542 165.421 180.840 1.00 0.00 0.242 C +ATOM 1459 O ARG A 185 150.147 164.383 181.365 1.00 0.00 -0.273 OA +ATOM 1460 CA ARG A 185 149.569 166.551 180.514 1.00 0.00 0.171 C +ATOM 1461 N ARG A 185 149.903 167.719 181.321 1.00 0.00 -0.344 N +ATOM 1462 CB ARG A 185 149.607 166.896 179.024 1.00 0.00 0.038 C +ATOM 1463 CG ARG A 185 148.393 167.689 178.557 1.00 0.00 0.040 C +ATOM 1464 CD ARG A 185 148.787 168.942 177.796 1.00 0.00 0.197 C +ATOM 1465 NE ARG A 185 147.617 169.655 177.288 1.00 0.00 -0.278 N +ATOM 1466 HE ARG A 185 147.384 169.510 176.473 1.00 0.00 0.260 HD +ATOM 1467 CZ ARG A 185 146.887 170.511 177.997 1.00 0.00 0.339 C +ATOM 1468 NH1 ARG A 185 147.195 170.776 179.260 1.00 0.00 -0.290 N +ATOM 1469 NH2 ARG A 185 145.841 171.107 177.441 1.00 0.00 -0.290 N +ATOM 1470 HH12 ARG A 185 147.872 170.393 179.627 1.00 0.00 0.256 HD +ATOM 1471 HH11 ARG A 185 146.718 171.331 179.712 1.00 0.00 0.256 HD +ATOM 1472 HH22 ARG A 185 145.636 170.940 176.623 1.00 0.00 0.256 HD +ATOM 1473 HH21 ARG A 185 145.369 171.661 177.899 1.00 0.00 0.256 HD +ATOM 1474 H ARG A 185 150.548 168.189 181.000 1.00 0.00 0.164 HD +ATOM 1475 C LYS A 186 153.861 165.544 181.807 1.00 0.00 0.242 C +ATOM 1476 O LYS A 186 154.062 166.736 181.578 1.00 0.00 -0.273 OA +ATOM 1477 CA LYS A 186 152.891 164.749 180.945 1.00 0.00 0.171 C +ATOM 1478 N LYS A 186 151.814 165.638 180.524 1.00 0.00 -0.344 N +ATOM 1479 CB LYS A 186 153.606 164.143 179.734 1.00 0.00 0.035 C +ATOM 1480 CG LYS A 186 154.919 163.436 180.056 1.00 0.00 0.008 C +ATOM 1481 CD LYS A 186 155.584 162.908 178.792 1.00 0.00 0.061 C +ATOM 1482 CE LYS A 186 157.065 162.628 179.011 1.00 0.00 0.258 C +ATOM 1483 NZ LYS A 186 157.772 162.332 177.735 1.00 0.00 -0.357 N +ATOM 1484 HZ1 LYS A 186 158.634 162.173 177.894 1.00 0.00 0.345 HD +ATOM 1485 HZ2 LYS A 186 157.413 161.616 177.347 1.00 0.00 0.345 HD +ATOM 1486 HZ3 LYS A 186 157.704 163.026 177.181 1.00 0.00 0.345 HD +ATOM 1487 H LYS A 186 152.085 166.307 180.056 1.00 0.00 0.164 HD +ATOM 1488 C PHE A 187 156.587 166.101 182.994 1.00 0.00 0.243 C +ATOM 1489 O PHE A 187 157.252 165.373 182.259 1.00 0.00 -0.272 OA +ATOM 1490 CA PHE A 187 155.360 165.564 183.721 1.00 0.00 0.175 C +ATOM 1491 N PHE A 187 154.452 164.889 182.801 1.00 0.00 -0.343 N +ATOM 1492 CB PHE A 187 155.795 164.619 184.843 1.00 0.00 0.070 C +ATOM 1493 CG PHE A 187 156.815 165.215 185.773 1.00 0.00 -0.045 A +ATOM 1494 CD1 PHE A 187 156.439 166.135 186.737 1.00 0.00 0.004 A +ATOM 1495 CD2 PHE A 187 158.147 164.852 185.685 1.00 0.00 0.004 A +ATOM 1496 CE1 PHE A 187 157.374 166.686 187.594 1.00 0.00 0.000 A +ATOM 1497 CE2 PHE A 187 159.086 165.399 186.540 1.00 0.00 0.000 A +ATOM 1498 CZ PHE A 187 158.698 166.317 187.495 1.00 0.00 0.000 A +ATOM 1499 H PHE A 187 154.342 164.052 182.965 1.00 0.00 0.164 HD +ATOM 1500 C ILE A 188 159.031 168.398 183.719 1.00 0.00 0.243 C +ATOM 1501 O ILE A 188 158.815 169.346 184.470 1.00 0.00 -0.272 OA +ATOM 1502 CA ILE A 188 158.028 168.045 182.619 1.00 0.00 0.174 C +ATOM 1503 N ILE A 188 156.875 167.380 183.214 1.00 0.00 -0.343 N +ATOM 1504 CB ILE A 188 157.615 169.323 181.866 1.00 0.00 0.018 C +ATOM 1505 CG2 ILE A 188 158.839 170.015 181.270 1.00 0.00 0.010 C +ATOM 1506 CG1 ILE A 188 156.618 168.985 180.757 1.00 0.00 0.002 C +ATOM 1507 CD1 ILE A 188 155.853 170.178 180.239 1.00 0.00 0.004 C +ATOM 1508 H ILE A 188 156.406 167.895 183.718 1.00 0.00 0.164 HD +ATOM 1509 C PRO A 189 161.921 169.160 184.649 1.00 0.00 0.243 C +ATOM 1510 O PRO A 189 162.135 169.548 183.501 1.00 0.00 -0.271 OA +ATOM 1511 CA PRO A 189 161.099 167.901 184.894 1.00 0.00 0.175 C +ATOM 1512 N PRO A 189 160.133 167.635 183.823 1.00 0.00 -0.329 N +ATOM 1513 CB PRO A 189 161.988 166.657 184.872 1.00 0.00 0.037 C +ATOM 1514 CG PRO A 189 161.942 166.204 183.466 1.00 0.00 0.024 C +ATOM 1515 CD PRO A 189 160.557 166.507 182.976 1.00 0.00 0.121 C +ATOM 1516 C ASP A 190 164.551 170.717 185.024 1.00 0.00 0.242 C +ATOM 1517 O ASP A 190 165.277 169.855 185.514 1.00 0.00 -0.273 OA +ATOM 1518 CA ASP A 190 163.177 170.996 185.637 1.00 0.00 0.176 C +ATOM 1519 N ASP A 190 162.379 169.782 185.728 1.00 0.00 -0.343 N +ATOM 1520 CB ASP A 190 163.343 171.617 187.024 1.00 0.00 0.087 C +ATOM 1521 CG ASP A 190 164.309 172.777 187.030 1.00 0.00 0.044 C +ATOM 1522 OD1 ASP A 190 164.357 173.517 186.026 1.00 0.00 -0.548 OA +ATOM 1523 OD2 ASP A 190 165.024 172.947 188.036 1.00 0.00 -0.549 OA +ATOM 1524 H ASP A 190 162.239 169.517 186.534 1.00 0.00 0.164 HD +ATOM 1525 C PRO A 191 167.399 171.686 184.282 1.00 0.00 0.243 C +ATOM 1526 O PRO A 191 168.511 171.181 184.132 1.00 0.00 -0.271 OA +ATOM 1527 CA PRO A 191 166.255 171.241 183.370 1.00 0.00 0.175 C +ATOM 1528 N PRO A 191 164.920 171.443 183.951 1.00 0.00 -0.329 N +ATOM 1529 CB PRO A 191 166.215 172.093 182.095 1.00 0.00 0.037 C +ATOM 1530 CG PRO A 191 165.110 173.058 182.300 1.00 0.00 0.024 C +ATOM 1531 CD PRO A 191 164.101 172.352 183.131 1.00 0.00 0.121 C +ATOM 1532 C GLN A 192 168.370 172.002 187.251 1.00 0.00 0.242 C +ATOM 1533 O GLN A 192 169.262 172.140 188.087 1.00 0.00 -0.273 OA +ATOM 1534 CA GLN A 192 168.164 173.040 186.153 1.00 0.00 0.171 C +ATOM 1535 N GLN A 192 167.140 172.608 185.204 1.00 0.00 -0.343 N +ATOM 1536 CB GLN A 192 167.802 174.389 186.775 1.00 0.00 0.045 C +ATOM 1537 CG GLN A 192 167.913 175.556 185.809 1.00 0.00 0.102 C +ATOM 1538 CD GLN A 192 167.786 176.903 186.490 1.00 0.00 0.217 C +ATOM 1539 OE1 GLN A 192 167.014 177.756 186.056 1.00 0.00 -0.275 OA +ATOM 1540 NE2 GLN A 192 168.556 177.109 187.552 1.00 0.00 -0.368 N +ATOM 1541 HE22 GLN A 192 169.093 176.492 187.820 1.00 0.00 0.159 HD +ATOM 1542 HE21 GLN A 192 168.519 177.859 187.971 1.00 0.00 0.159 HD +ATOM 1543 H GLN A 192 166.380 173.000 185.302 1.00 0.00 0.164 HD +ATOM 1544 C GLY A 193 167.181 170.078 189.565 1.00 0.00 0.239 C +ATOM 1545 O GLY A 193 167.572 169.364 190.487 1.00 0.00 -0.273 OA +ATOM 1546 CA GLY A 193 167.711 169.849 188.160 1.00 0.00 0.216 C +ATOM 1547 N GLY A 193 167.536 170.967 187.251 1.00 0.00 -0.346 N +ATOM 1548 H GLY A 193 166.856 170.891 186.729 1.00 0.00 0.164 HD +ATOM 1549 C SER A 194 165.037 170.125 191.623 1.00 0.00 0.244 C +ATOM 1550 O SER A 194 164.348 169.408 190.900 1.00 0.00 -0.272 OA +ATOM 1551 CA SER A 194 165.733 171.354 191.052 1.00 0.00 0.197 C +ATOM 1552 N SER A 194 166.295 171.057 189.735 1.00 0.00 -0.342 N +ATOM 1553 CB SER A 194 164.746 172.522 190.978 1.00 0.00 0.191 C +ATOM 1554 OG SER A 194 165.350 173.680 190.430 1.00 0.00 -0.392 OA +ATOM 1555 HG SER A 194 165.624 173.520 189.652 1.00 0.00 0.210 HD +ATOM 1556 H SER A 194 166.002 171.564 189.104 1.00 0.00 0.164 HD +ATOM 1557 C ASN A 195 163.585 169.108 194.598 1.00 0.00 0.242 C +ATOM 1558 O ASN A 195 163.161 170.260 194.651 1.00 0.00 -0.273 OA +ATOM 1559 CA ASN A 195 164.655 168.720 193.576 1.00 0.00 0.180 C +ATOM 1560 N ASN A 195 165.226 169.887 192.917 1.00 0.00 -0.342 N +ATOM 1561 CB ASN A 195 165.764 167.897 194.238 1.00 0.00 0.134 C +ATOM 1562 CG ASN A 195 166.606 168.708 195.198 1.00 0.00 0.220 C +ATOM 1563 OD1 ASN A 195 166.225 169.800 195.614 1.00 0.00 -0.275 OA +ATOM 1564 ND2 ASN A 195 167.764 168.172 195.557 1.00 0.00 -0.368 N +ATOM 1565 HD22 ASN A 195 168.282 168.591 196.100 1.00 0.00 0.159 HD +ATOM 1566 HD21 ASN A 195 167.997 167.404 195.246 1.00 0.00 0.159 HD +ATOM 1567 H ASN A 195 165.685 170.392 193.439 1.00 0.00 0.164 HD +ATOM 1568 C MET A 196 162.589 169.119 197.597 1.00 0.00 0.242 C +ATOM 1569 O MET A 196 161.819 169.777 198.292 1.00 0.00 -0.272 OA +ATOM 1570 CA MET A 196 162.073 168.397 196.359 1.00 0.00 0.172 C +ATOM 1571 N MET A 196 163.139 168.145 195.397 1.00 0.00 -0.344 N +ATOM 1572 CB MET A 196 161.391 167.089 196.760 1.00 0.00 0.046 C +ATOM 1573 CG MET A 196 160.647 166.410 195.623 1.00 0.00 0.072 C +ATOM 1574 SD MET A 196 159.482 167.497 194.775 1.00 0.00 -0.165 SA +ATOM 1575 CE MET A 196 158.315 167.845 196.081 1.00 0.00 0.085 C +ATOM 1576 H MET A 196 163.436 167.338 195.402 1.00 0.00 0.164 HD +ATOM 1577 C MET A 197 164.328 171.277 198.568 1.00 0.00 0.242 C +ATOM 1578 O MET A 197 164.040 172.108 199.426 1.00 0.00 -0.272 OA +ATOM 1579 CA MET A 197 164.492 169.806 198.925 1.00 0.00 0.172 C +ATOM 1580 N MET A 197 163.883 169.000 197.875 1.00 0.00 -0.344 N +ATOM 1581 CB MET A 197 165.973 169.464 199.108 1.00 0.00 0.046 C +ATOM 1582 CG MET A 197 166.237 168.105 199.740 1.00 0.00 0.072 C +ATOM 1583 SD MET A 197 165.642 167.952 201.437 1.00 0.00 -0.165 SA +ATOM 1584 CE MET A 197 166.714 169.106 202.298 1.00 0.00 0.085 C +ATOM 1585 H MET A 197 164.426 168.466 197.475 1.00 0.00 0.164 HD +ATOM 1586 C PHE A 198 162.851 173.369 196.856 1.00 0.00 0.243 C +ATOM 1587 O PHE A 198 162.529 174.472 197.291 1.00 0.00 -0.272 OA +ATOM 1588 CA PHE A 198 164.317 172.952 196.803 1.00 0.00 0.175 C +ATOM 1589 N PHE A 198 164.500 171.590 197.289 1.00 0.00 -0.343 N +ATOM 1590 CB PHE A 198 164.844 173.089 195.373 1.00 0.00 0.070 C +ATOM 1591 CG PHE A 198 164.555 174.425 194.748 1.00 0.00 -0.045 A +ATOM 1592 CD1 PHE A 198 165.366 175.514 195.011 1.00 0.00 0.004 A +ATOM 1593 CD2 PHE A 198 163.471 174.591 193.904 1.00 0.00 0.004 A +ATOM 1594 CE1 PHE A 198 165.103 176.744 194.441 1.00 0.00 0.000 A +ATOM 1595 CE2 PHE A 198 163.202 175.820 193.332 1.00 0.00 0.000 A +ATOM 1596 CZ PHE A 198 164.019 176.897 193.601 1.00 0.00 0.000 A +ATOM 1597 H PHE A 198 164.725 171.028 196.678 1.00 0.00 0.164 HD +ATOM 1598 C ALA A 199 159.949 173.063 197.703 1.00 0.00 0.243 C +ATOM 1599 O ALA A 199 159.225 174.041 197.883 1.00 0.00 -0.272 OA +ATOM 1600 CA ALA A 199 160.545 172.781 196.327 1.00 0.00 0.168 C +ATOM 1601 N ALA A 199 161.970 172.480 196.409 1.00 0.00 -0.344 N +ATOM 1602 CB ALA A 199 159.799 171.633 195.655 1.00 0.00 0.041 C +ATOM 1603 H ALA A 199 162.174 171.687 196.145 1.00 0.00 0.164 HD +ATOM 1604 C PHE A 200 160.396 173.459 200.798 1.00 0.00 0.243 C +ATOM 1605 O PHE A 200 159.796 174.054 201.691 1.00 0.00 -0.272 OA +ATOM 1606 CA PHE A 200 159.697 172.360 200.009 1.00 0.00 0.175 C +ATOM 1607 N PHE A 200 160.257 172.210 198.672 1.00 0.00 -0.343 N +ATOM 1608 CB PHE A 200 159.762 171.036 200.772 1.00 0.00 0.070 C +ATOM 1609 CG PHE A 200 158.725 170.041 200.336 1.00 0.00 -0.045 A +ATOM 1610 CD1 PHE A 200 157.380 170.362 200.382 1.00 0.00 0.004 A +ATOM 1611 CD2 PHE A 200 159.093 168.786 199.886 1.00 0.00 0.004 A +ATOM 1612 CE1 PHE A 200 156.420 169.454 199.981 1.00 0.00 0.000 A +ATOM 1613 CE2 PHE A 200 158.135 167.870 199.486 1.00 0.00 0.000 A +ATOM 1614 CZ PHE A 200 156.798 168.207 199.533 1.00 0.00 0.000 A +ATOM 1615 H PHE A 200 160.786 171.538 198.582 1.00 0.00 0.164 HD +ATOM 1616 C PHE A 201 161.658 176.161 200.631 1.00 0.00 0.243 C +ATOM 1617 O PHE A 201 161.405 177.059 201.431 1.00 0.00 -0.272 OA +ATOM 1618 CA PHE A 201 162.331 174.875 201.088 1.00 0.00 0.175 C +ATOM 1619 N PHE A 201 161.656 173.738 200.476 1.00 0.00 -0.343 N +ATOM 1620 CB PHE A 201 163.819 174.915 200.737 1.00 0.00 0.070 C +ATOM 1621 CG PHE A 201 164.571 176.000 201.454 1.00 0.00 -0.045 A +ATOM 1622 CD1 PHE A 201 164.621 177.284 200.938 1.00 0.00 0.004 A +ATOM 1623 CD2 PHE A 201 165.211 175.741 202.653 1.00 0.00 0.004 A +ATOM 1624 CE1 PHE A 201 165.303 178.282 201.600 1.00 0.00 0.000 A +ATOM 1625 CE2 PHE A 201 165.895 176.737 203.318 1.00 0.00 0.000 A +ATOM 1626 CZ PHE A 201 165.940 178.008 202.790 1.00 0.00 0.000 A +ATOM 1627 H PHE A 201 162.134 173.293 199.917 1.00 0.00 0.164 HD +ATOM 1628 C ALA A 202 159.378 177.645 199.470 1.00 0.00 0.243 C +ATOM 1629 O ALA A 202 159.091 178.756 199.907 1.00 0.00 -0.272 OA +ATOM 1630 CA ALA A 202 160.708 177.404 198.770 1.00 0.00 0.168 C +ATOM 1631 N ALA A 202 161.374 176.241 199.335 1.00 0.00 -0.344 N +ATOM 1632 CB ALA A 202 160.497 177.223 197.278 1.00 0.00 0.041 C +ATOM 1633 H ALA A 202 161.560 175.630 198.760 1.00 0.00 0.164 HD +ATOM 1634 C GLN A 203 157.383 177.055 201.682 1.00 0.00 0.242 C +ATOM 1635 O GLN A 203 156.700 177.954 202.164 1.00 0.00 -0.273 OA +ATOM 1636 CA GLN A 203 157.265 176.695 200.206 1.00 0.00 0.171 C +ATOM 1637 N GLN A 203 158.576 176.593 199.583 1.00 0.00 -0.343 N +ATOM 1638 CB GLN A 203 156.493 175.384 200.055 1.00 0.00 0.045 C +ATOM 1639 CG GLN A 203 155.062 175.463 200.560 1.00 0.00 0.102 C +ATOM 1640 CD GLN A 203 154.359 174.122 200.555 1.00 0.00 0.217 C +ATOM 1641 OE1 GLN A 203 154.986 173.076 200.398 1.00 0.00 -0.275 OA +ATOM 1642 NE2 GLN A 203 153.045 174.147 200.730 1.00 0.00 -0.368 N +ATOM 1643 HE22 GLN A 203 152.641 174.898 200.839 1.00 0.00 0.159 HD +ATOM 1644 HE21 GLN A 203 152.598 173.413 200.736 1.00 0.00 0.159 HD +ATOM 1645 H GLN A 203 158.770 175.803 199.303 1.00 0.00 0.164 HD +ATOM 1646 C HIS A 204 158.907 177.995 204.092 1.00 0.00 0.242 C +ATOM 1647 O HIS A 204 158.335 178.701 204.924 1.00 0.00 -0.272 OA +ATOM 1648 CA HIS A 204 158.439 176.570 203.820 1.00 0.00 0.177 C +ATOM 1649 N HIS A 204 158.248 176.342 202.395 1.00 0.00 -0.343 N +ATOM 1650 CB HIS A 204 159.450 175.575 204.389 1.00 0.00 0.090 C +ATOM 1651 CG HIS A 204 159.660 175.700 205.865 1.00 0.00 0.037 A +ATOM 1652 ND1 HIS A 204 160.742 176.355 206.412 1.00 0.00 -0.347 N +ATOM 1653 CD2 HIS A 204 158.924 175.252 206.909 1.00 0.00 0.134 A +ATOM 1654 HD1 HIS A 204 161.370 176.736 205.966 1.00 0.00 0.167 HD +ATOM 1655 CE1 HIS A 204 160.663 176.306 207.730 1.00 0.00 0.196 A +ATOM 1656 NE2 HIS A 204 159.568 175.644 208.057 1.00 0.00 -0.245 NA +ATOM 1657 H HIS A 204 158.740 175.714 202.072 1.00 0.00 0.164 HD +ATOM 1658 C PHE A 205 159.642 180.881 203.283 1.00 0.00 0.243 C +ATOM 1659 O PHE A 205 159.528 181.817 204.071 1.00 0.00 -0.272 OA +ATOM 1660 CA PHE A 205 160.566 179.709 203.608 1.00 0.00 0.175 C +ATOM 1661 N PHE A 205 159.945 178.412 203.378 1.00 0.00 -0.343 N +ATOM 1662 CB PHE A 205 161.849 179.825 202.786 1.00 0.00 0.070 C +ATOM 1663 CG PHE A 205 162.340 181.229 202.630 1.00 0.00 -0.045 A +ATOM 1664 CD1 PHE A 205 162.878 181.912 203.703 1.00 0.00 0.004 A +ATOM 1665 CD2 PHE A 205 162.265 181.864 201.405 1.00 0.00 0.004 A +ATOM 1666 CE1 PHE A 205 163.329 183.207 203.554 1.00 0.00 0.000 A +ATOM 1667 CE2 PHE A 205 162.716 183.154 201.253 1.00 0.00 0.000 A +ATOM 1668 CZ PHE A 205 163.248 183.826 202.327 1.00 0.00 0.000 A +ATOM 1669 H PHE A 205 160.313 177.956 202.748 1.00 0.00 0.164 HD +ATOM 1670 C THR A 206 156.852 182.062 202.484 1.00 0.00 0.245 C +ATOM 1671 O THR A 206 156.242 183.127 202.546 1.00 0.00 -0.273 OA +ATOM 1672 CA THR A 206 158.159 181.963 201.703 1.00 0.00 0.199 C +ATOM 1673 N THR A 206 158.985 180.838 202.129 1.00 0.00 -0.341 N +ATOM 1674 CB THR A 206 157.820 181.885 200.201 1.00 0.00 0.143 C +ATOM 1675 CG2 THR A 206 159.084 181.944 199.358 1.00 0.00 0.041 C +ATOM 1676 OG1 THR A 206 157.108 180.672 199.922 1.00 0.00 -0.389 OA +ATOM 1677 HG1 THR A 206 157.579 180.008 200.131 1.00 0.00 0.211 HD +ATOM 1678 H THR A 206 159.001 180.177 201.579 1.00 0.00 0.164 HD +ATOM 1679 C HIS A 207 155.220 181.647 205.158 1.00 0.00 0.242 C +ATOM 1680 O HIS A 207 154.238 181.671 205.900 1.00 0.00 -0.272 OA +ATOM 1681 CA HIS A 207 155.146 180.956 203.798 1.00 0.00 0.177 C +ATOM 1682 N HIS A 207 156.422 180.963 203.095 1.00 0.00 -0.343 N +ATOM 1683 CB HIS A 207 154.635 179.526 203.960 1.00 0.00 0.093 C +ATOM 1684 CG HIS A 207 153.758 179.079 202.834 1.00 0.00 0.061 A +ATOM 1685 ND1 HIS A 207 154.158 179.121 201.517 1.00 0.00 -0.242 NA +ATOM 1686 CD2 HIS A 207 152.491 178.602 202.827 1.00 0.00 0.107 A +ATOM 1687 CE1 HIS A 207 153.179 178.679 200.748 1.00 0.00 0.196 A +ATOM 1688 NE2 HIS A 207 152.156 178.358 201.518 1.00 0.00 -0.350 N +ATOM 1689 HE2 HIS A 207 151.403 178.045 201.245 1.00 0.00 0.167 HD +ATOM 1690 H HIS A 207 156.846 180.215 203.116 1.00 0.00 0.164 HD +ATOM 1691 C GLN A 208 156.004 184.503 206.335 1.00 0.00 0.242 C +ATOM 1692 O GLN A 208 155.509 185.204 207.215 1.00 0.00 -0.273 OA +ATOM 1693 CA GLN A 208 156.453 183.077 206.660 1.00 0.00 0.171 C +ATOM 1694 N GLN A 208 156.369 182.231 205.481 1.00 0.00 -0.343 N +ATOM 1695 CB GLN A 208 157.868 183.074 207.241 1.00 0.00 0.045 C +ATOM 1696 CG GLN A 208 158.878 183.918 206.499 1.00 0.00 0.102 C +ATOM 1697 CD GLN A 208 160.285 183.678 207.001 1.00 0.00 0.217 C +ATOM 1698 OE1 GLN A 208 160.692 184.223 208.023 1.00 0.00 -0.275 OA +ATOM 1699 NE2 GLN A 208 161.033 182.846 206.290 1.00 0.00 -0.368 N +ATOM 1700 HE22 GLN A 208 160.710 182.474 205.585 1.00 0.00 0.159 HD +ATOM 1701 HE21 GLN A 208 161.840 182.677 206.535 1.00 0.00 0.159 HD +ATOM 1702 H GLN A 208 157.103 182.154 205.039 1.00 0.00 0.164 HD +ATOM 1703 C PHE A 209 154.544 186.215 203.652 1.00 0.00 0.243 C +ATOM 1704 O PHE A 209 153.943 187.246 203.361 1.00 0.00 -0.272 OA +ATOM 1705 CA PHE A 209 155.686 186.256 204.672 1.00 0.00 0.175 C +ATOM 1706 N PHE A 209 156.161 184.929 205.080 1.00 0.00 -0.343 N +ATOM 1707 CB PHE A 209 156.837 187.118 204.130 1.00 0.00 0.070 C +ATOM 1708 CG PHE A 209 157.749 186.423 203.158 1.00 0.00 -0.045 A +ATOM 1709 CD1 PHE A 209 157.374 186.233 201.840 1.00 0.00 0.004 A +ATOM 1710 CD2 PHE A 209 159.011 186.015 203.553 1.00 0.00 0.004 A +ATOM 1711 CE1 PHE A 209 158.229 185.617 200.946 1.00 0.00 0.000 A +ATOM 1712 CE2 PHE A 209 159.866 185.401 202.663 1.00 0.00 0.000 A +ATOM 1713 CZ PHE A 209 159.477 185.207 201.357 1.00 0.00 0.000 A +ATOM 1714 H PHE A 209 156.534 184.476 204.452 1.00 0.00 0.164 HD +ATOM 1715 C PHE A 210 151.978 184.146 203.243 1.00 0.00 0.243 C +ATOM 1716 O PHE A 210 151.907 182.917 203.273 1.00 0.00 -0.272 OA +ATOM 1717 CA PHE A 210 153.004 184.851 202.359 1.00 0.00 0.175 C +ATOM 1718 N PHE A 210 154.235 185.038 203.123 1.00 0.00 -0.343 N +ATOM 1719 CB PHE A 210 153.249 184.047 201.084 1.00 0.00 0.070 C +ATOM 1720 CG PHE A 210 154.162 184.720 200.097 1.00 0.00 -0.045 A +ATOM 1721 CD1 PHE A 210 154.181 186.100 199.964 1.00 0.00 0.004 A +ATOM 1722 CD2 PHE A 210 154.995 183.966 199.291 1.00 0.00 0.004 A +ATOM 1723 CE1 PHE A 210 155.021 186.710 199.050 1.00 0.00 0.000 A +ATOM 1724 CE2 PHE A 210 155.838 184.574 198.375 1.00 0.00 0.000 A +ATOM 1725 CZ PHE A 210 155.850 185.946 198.257 1.00 0.00 0.000 A +ATOM 1726 H PHE A 210 154.720 184.331 203.190 1.00 0.00 0.164 HD +ATOM 1727 C LYS A 211 148.868 185.093 204.655 1.00 0.00 0.242 C +ATOM 1728 O LYS A 211 148.358 185.832 205.498 1.00 0.00 -0.273 OA +ATOM 1729 CA LYS A 211 150.207 184.424 204.905 1.00 0.00 0.171 C +ATOM 1730 N LYS A 211 151.200 184.941 203.969 1.00 0.00 -0.344 N +ATOM 1731 CB LYS A 211 150.659 184.654 206.347 1.00 0.00 0.035 C +ATOM 1732 CG LYS A 211 151.934 183.913 206.711 1.00 0.00 0.008 C +ATOM 1733 CD LYS A 211 152.568 184.477 207.966 1.00 0.00 0.061 C +ATOM 1734 CE LYS A 211 151.687 184.272 209.178 1.00 0.00 0.258 C +ATOM 1735 NZ LYS A 211 152.269 184.906 210.382 1.00 0.00 -0.357 N +ATOM 1736 HZ1 LYS A 211 151.736 184.774 211.082 1.00 0.00 0.345 HD +ATOM 1737 HZ2 LYS A 211 153.068 184.553 210.555 1.00 0.00 0.345 HD +ATOM 1738 HZ3 LYS A 211 152.363 185.781 210.250 1.00 0.00 0.345 HD +ATOM 1739 H LYS A 211 151.227 185.800 203.936 1.00 0.00 0.164 HD +ATOM 1740 C THR A 212 145.959 185.246 204.075 1.00 0.00 0.245 C +ATOM 1741 O THR A 212 145.721 184.132 204.538 1.00 0.00 -0.273 OA +ATOM 1742 CA THR A 212 147.073 185.448 203.044 1.00 0.00 0.199 C +ATOM 1743 N THR A 212 148.314 184.828 203.479 1.00 0.00 -0.341 N +ATOM 1744 CB THR A 212 146.628 184.877 201.687 1.00 0.00 0.143 C +ATOM 1745 CG2 THR A 212 145.584 185.786 201.041 1.00 0.00 0.041 C +ATOM 1746 OG1 THR A 212 147.771 184.732 200.825 1.00 0.00 -0.389 OA +ATOM 1747 HG1 THR A 212 148.588 184.628 201.375 1.00 0.00 0.211 HD +ATOM 1748 H THR A 212 148.647 184.282 202.904 1.00 0.00 0.164 HD +ATOM 1749 C ASP A 213 142.871 186.132 204.637 1.00 0.00 0.242 C +ATOM 1750 O ASP A 213 142.250 187.119 204.249 1.00 0.00 -0.273 OA +ATOM 1751 CA ASP A 213 144.189 186.276 205.392 1.00 0.00 0.176 C +ATOM 1752 N ASP A 213 145.295 186.337 204.443 1.00 0.00 -0.343 N +ATOM 1753 CB ASP A 213 144.176 187.519 206.281 1.00 0.00 0.087 C +ATOM 1754 CG ASP A 213 143.153 187.426 207.395 1.00 0.00 0.044 C +ATOM 1755 OD1 ASP A 213 142.534 186.354 207.548 1.00 0.00 -0.548 OA +ATOM 1756 OD2 ASP A 213 142.978 188.419 208.128 1.00 0.00 -0.549 OA +ATOM 1757 H ASP A 213 145.466 187.129 204.156 1.00 0.00 0.164 HD +ATOM 1758 C HIS A 214 139.961 184.925 204.123 1.00 0.00 0.242 C +ATOM 1759 O HIS A 214 138.989 185.029 203.378 1.00 0.00 -0.272 OA +ATOM 1760 CA HIS A 214 141.336 184.604 203.538 1.00 0.00 0.177 C +ATOM 1761 N HIS A 214 142.445 184.892 204.438 1.00 0.00 -0.343 N +ATOM 1762 CB HIS A 214 141.391 183.137 203.113 1.00 0.00 0.093 C +ATOM 1763 CG HIS A 214 142.488 182.839 202.140 1.00 0.00 0.061 A +ATOM 1764 ND1 HIS A 214 142.431 183.219 200.816 1.00 0.00 -0.242 NA +ATOM 1765 CD2 HIS A 214 143.673 182.204 202.297 1.00 0.00 0.107 A +ATOM 1766 CE1 HIS A 214 143.532 182.828 200.200 1.00 0.00 0.196 A +ATOM 1767 NE2 HIS A 214 144.302 182.209 201.076 1.00 0.00 -0.350 N +ATOM 1768 HE2 HIS A 214 145.073 181.866 200.909 1.00 0.00 0.167 HD +ATOM 1769 H HIS A 214 142.782 184.196 204.814 1.00 0.00 0.164 HD +ATOM 1770 C LYS A 215 138.382 186.990 205.816 1.00 0.00 0.242 C +ATOM 1771 O LYS A 215 137.270 187.494 205.974 1.00 0.00 -0.273 OA +ATOM 1772 CA LYS A 215 138.601 185.494 206.039 1.00 0.00 0.171 C +ATOM 1773 N LYS A 215 139.869 185.092 205.439 1.00 0.00 -0.344 N +ATOM 1774 CB LYS A 215 138.552 185.149 207.535 1.00 0.00 0.035 C +ATOM 1775 CG LYS A 215 139.273 186.116 208.467 1.00 0.00 0.008 C +ATOM 1776 CD LYS A 215 139.074 185.708 209.923 1.00 0.00 0.061 C +ATOM 1777 CE LYS A 215 139.826 186.626 210.878 1.00 0.00 0.258 C +ATOM 1778 NZ LYS A 215 139.473 186.359 212.302 1.00 0.00 -0.357 N +ATOM 1779 HZ1 LYS A 215 139.926 186.909 212.835 1.00 0.00 0.345 HD +ATOM 1780 HZ2 LYS A 215 138.601 186.487 212.428 1.00 0.00 0.345 HD +ATOM 1781 HZ3 LYS A 215 139.675 185.519 212.513 1.00 0.00 0.345 HD +ATOM 1782 H LYS A 215 140.513 184.980 205.998 1.00 0.00 0.164 HD +ATOM 1783 C ARG A 216 139.346 189.330 203.597 1.00 0.00 0.242 C +ATOM 1784 O ARG A 216 138.537 190.109 203.092 1.00 0.00 -0.273 OA +ATOM 1785 CA ARG A 216 139.381 189.110 205.107 1.00 0.00 0.171 C +ATOM 1786 N ARG A 216 139.450 187.689 205.436 1.00 0.00 -0.344 N +ATOM 1787 CB ARG A 216 140.574 189.851 205.705 1.00 0.00 0.038 C +ATOM 1788 CG ARG A 216 140.267 190.605 206.985 1.00 0.00 0.040 C +ATOM 1789 CD ARG A 216 141.506 191.307 207.507 1.00 0.00 0.197 C +ATOM 1790 NE ARG A 216 141.194 192.324 208.504 1.00 0.00 -0.278 N +ATOM 1791 HE ARG A 216 140.380 192.596 208.559 1.00 0.00 0.260 HD +ATOM 1792 CZ ARG A 216 142.096 192.896 209.293 1.00 0.00 0.339 C +ATOM 1793 NH1 ARG A 216 141.720 193.815 210.170 1.00 0.00 -0.290 N +ATOM 1794 NH2 ARG A 216 143.374 192.548 209.213 1.00 0.00 -0.290 N +ATOM 1795 HH12 ARG A 216 140.893 194.042 210.226 1.00 0.00 0.256 HD +ATOM 1796 HH11 ARG A 216 142.303 194.184 210.683 1.00 0.00 0.256 HD +ATOM 1797 HH22 ARG A 216 143.622 191.952 208.645 1.00 0.00 0.256 HD +ATOM 1798 HH21 ARG A 216 143.954 192.920 209.727 1.00 0.00 0.256 HD +ATOM 1799 H ARG A 216 140.239 187.355 205.360 1.00 0.00 0.164 HD +ATOM 1800 C GLY A 217 141.744 188.551 200.950 1.00 0.00 0.239 C +ATOM 1801 O GLY A 217 142.689 188.664 201.728 1.00 0.00 -0.273 OA +ATOM 1802 CA GLY A 217 140.323 188.755 201.440 1.00 0.00 0.216 C +ATOM 1803 N GLY A 217 140.232 188.639 202.885 1.00 0.00 -0.346 N +ATOM 1804 H GLY A 217 140.799 188.089 203.225 1.00 0.00 0.164 HD +ATOM 1805 C PRO A 218 144.212 189.153 199.226 1.00 0.00 0.243 C +ATOM 1806 O PRO A 218 145.420 188.943 199.125 1.00 0.00 -0.271 OA +ATOM 1807 CA PRO A 218 143.227 187.996 199.061 1.00 0.00 0.175 C +ATOM 1808 N PRO A 218 141.906 188.255 199.650 1.00 0.00 -0.329 N +ATOM 1809 CB PRO A 218 142.912 187.766 197.577 1.00 0.00 0.037 C +ATOM 1810 CG PRO A 218 141.562 188.358 197.361 1.00 0.00 0.024 C +ATOM 1811 CD PRO A 218 140.833 188.169 198.645 1.00 0.00 0.121 C +ATOM 1812 C ALA A 219 145.184 191.742 200.927 1.00 0.00 0.243 C +ATOM 1813 O ALA A 219 145.966 192.675 201.108 1.00 0.00 -0.272 OA +ATOM 1814 CA ALA A 219 144.534 191.544 199.558 1.00 0.00 0.168 C +ATOM 1815 N ALA A 219 143.700 190.349 199.490 1.00 0.00 -0.344 N +ATOM 1816 CB ALA A 219 143.711 192.766 199.198 1.00 0.00 0.041 C +ATOM 1817 H ALA A 219 142.865 190.497 199.636 1.00 0.00 0.164 HD +ATOM 1818 C PHE A 220 146.285 189.895 203.684 1.00 0.00 0.243 C +ATOM 1819 O PHE A 220 146.217 188.782 203.166 1.00 0.00 -0.272 OA +ATOM 1820 CA PHE A 220 145.349 191.019 203.251 1.00 0.00 0.175 C +ATOM 1821 N PHE A 220 144.872 190.866 201.878 1.00 0.00 -0.343 N +ATOM 1822 CB PHE A 220 144.161 191.095 204.208 1.00 0.00 0.070 C +ATOM 1823 CG PHE A 220 143.245 192.247 203.935 1.00 0.00 -0.045 A +ATOM 1824 CD1 PHE A 220 143.503 193.495 204.476 1.00 0.00 0.004 A +ATOM 1825 CD2 PHE A 220 142.132 192.087 203.129 1.00 0.00 0.004 A +ATOM 1826 CE1 PHE A 220 142.664 194.558 204.222 1.00 0.00 0.000 A +ATOM 1827 CE2 PHE A 220 141.290 193.149 202.874 1.00 0.00 0.000 A +ATOM 1828 CZ PHE A 220 141.556 194.385 203.419 1.00 0.00 0.000 A +ATOM 1829 H PHE A 220 144.383 190.170 201.754 1.00 0.00 0.164 HD +ATOM 1830 C THR A 221 148.082 189.220 206.708 1.00 0.00 0.245 C +ATOM 1831 O THR A 221 147.754 190.218 207.345 1.00 0.00 -0.273 OA +ATOM 1832 CA THR A 221 148.104 189.239 205.186 1.00 0.00 0.199 C +ATOM 1833 N THR A 221 147.155 190.205 204.642 1.00 0.00 -0.341 N +ATOM 1834 CB THR A 221 149.551 189.534 204.722 1.00 0.00 0.143 C +ATOM 1835 CG2 THR A 221 149.966 190.948 205.094 1.00 0.00 0.041 C +ATOM 1836 OG1 THR A 221 150.452 188.607 205.339 1.00 0.00 -0.389 OA +ATOM 1837 HG1 THR A 221 151.239 188.762 205.091 1.00 0.00 0.211 HD +ATOM 1838 H THR A 221 147.216 190.985 204.999 1.00 0.00 0.164 HD +ATOM 1839 C ASN A 222 150.068 188.113 209.144 1.00 0.00 0.242 C +ATOM 1840 O ASN A 222 150.369 188.181 210.333 1.00 0.00 -0.273 OA +ATOM 1841 CA ASN A 222 148.610 187.943 208.724 1.00 0.00 0.180 C +ATOM 1842 N ASN A 222 148.436 188.074 207.282 1.00 0.00 -0.342 N +ATOM 1843 CB ASN A 222 148.101 186.585 209.202 1.00 0.00 0.134 C +ATOM 1844 CG ASN A 222 146.607 186.430 209.032 1.00 0.00 0.220 C +ATOM 1845 OD1 ASN A 222 145.839 187.338 209.345 1.00 0.00 -0.275 OA +ATOM 1846 ND2 ASN A 222 146.187 185.279 208.527 1.00 0.00 -0.368 N +ATOM 1847 HD22 ASN A 222 145.346 185.142 208.410 1.00 0.00 0.159 HD +ATOM 1848 HD21 ASN A 222 146.755 184.669 208.316 1.00 0.00 0.159 HD +ATOM 1849 H ASN A 222 148.583 187.346 206.849 1.00 0.00 0.164 HD +ATOM 1850 C GLY A 223 152.755 189.809 208.550 1.00 0.00 0.239 C +ATOM 1851 O GLY A 223 153.246 190.404 207.594 1.00 0.00 -0.273 OA +ATOM 1852 CA GLY A 223 152.385 188.344 208.438 1.00 0.00 0.216 C +ATOM 1853 N GLY A 223 150.968 188.173 208.166 1.00 0.00 -0.346 N +ATOM 1854 H GLY A 223 150.777 188.116 207.329 1.00 0.00 0.164 HD +ATOM 1855 C LEU A 224 154.190 192.197 210.032 1.00 0.00 0.243 C +ATOM 1856 O LEU A 224 154.540 193.376 210.038 1.00 0.00 -0.272 OA +ATOM 1857 CA LEU A 224 152.713 191.826 209.913 1.00 0.00 0.172 C +ATOM 1858 N LEU A 224 152.524 190.391 209.722 1.00 0.00 -0.345 N +ATOM 1859 CB LEU A 224 151.951 192.300 211.150 1.00 0.00 0.038 C +ATOM 1860 CG LEU A 224 150.458 191.955 211.183 1.00 0.00 -0.015 C +ATOM 1861 CD1 LEU A 224 149.803 192.568 212.405 1.00 0.00 0.007 C +ATOM 1862 CD2 LEU A 224 149.749 192.408 209.916 1.00 0.00 0.007 C +ATOM 1863 H LEU A 224 152.255 189.976 210.426 1.00 0.00 0.165 HD +ATOM 1864 C GLY A 225 156.961 191.751 208.724 1.00 0.00 0.239 C +ATOM 1865 O GLY A 225 158.010 192.369 208.545 1.00 0.00 -0.273 OA +ATOM 1866 CA GLY A 225 156.485 191.419 210.125 1.00 0.00 0.216 C +ATOM 1867 N GLY A 225 155.053 191.191 210.128 1.00 0.00 -0.346 N +ATOM 1868 H GLY A 225 154.829 190.364 210.196 1.00 0.00 0.164 HD +ATOM 1869 C HIS A 226 157.858 191.295 205.884 1.00 0.00 0.242 C +ATOM 1870 O HIS A 226 158.514 192.082 205.201 1.00 0.00 -0.272 OA +ATOM 1871 CA HIS A 226 156.435 191.639 206.329 1.00 0.00 0.177 C +ATOM 1872 N HIS A 226 156.178 191.329 207.734 1.00 0.00 -0.343 N +ATOM 1873 CB HIS A 226 156.142 193.117 206.064 1.00 0.00 0.093 C +ATOM 1874 CG HIS A 226 154.686 193.418 205.919 1.00 0.00 0.061 A +ATOM 1875 ND1 HIS A 226 154.042 193.383 204.703 1.00 0.00 -0.242 NA +ATOM 1876 CD2 HIS A 226 153.745 193.743 206.835 1.00 0.00 0.107 A +ATOM 1877 CE1 HIS A 226 152.767 193.679 204.872 1.00 0.00 0.196 A +ATOM 1878 NE2 HIS A 226 152.561 193.902 206.157 1.00 0.00 -0.350 N +ATOM 1879 HE2 HIS A 226 151.807 194.114 206.512 1.00 0.00 0.167 HD +ATOM 1880 H HIS A 226 155.475 190.849 207.855 1.00 0.00 0.164 HD +ATOM 1881 C GLY A 227 160.131 188.434 206.557 1.00 0.00 0.239 C +ATOM 1882 O GLY A 227 159.346 187.562 206.929 1.00 0.00 -0.273 OA +ATOM 1883 CA GLY A 227 159.641 189.671 205.837 1.00 0.00 0.216 C +ATOM 1884 N GLY A 227 158.329 190.112 206.259 1.00 0.00 -0.346 N +ATOM 1885 H GLY A 227 157.907 189.551 206.756 1.00 0.00 0.164 HD +ATOM 1886 C VAL A 228 162.252 187.314 208.819 1.00 0.00 0.243 C +ATOM 1887 O VAL A 228 163.335 187.617 209.316 1.00 0.00 -0.272 OA +ATOM 1888 CA VAL A 228 162.093 187.191 207.305 1.00 0.00 0.173 C +ATOM 1889 N VAL A 228 161.442 188.371 206.755 1.00 0.00 -0.343 N +ATOM 1890 CB VAL A 228 163.471 186.968 206.649 1.00 0.00 0.015 C +ATOM 1891 CG1 VAL A 228 164.072 185.646 207.084 1.00 0.00 0.010 C +ATOM 1892 CG2 VAL A 228 163.344 187.005 205.132 1.00 0.00 0.010 C +ATOM 1893 H VAL A 228 161.986 189.013 206.575 1.00 0.00 0.164 HD +ATOM 1894 C ASP A 229 161.070 185.783 211.650 1.00 0.00 0.242 C +ATOM 1895 O ASP A 229 161.117 185.662 212.872 1.00 0.00 -0.273 OA +ATOM 1896 CA ASP A 229 161.164 187.162 211.002 1.00 0.00 0.176 C +ATOM 1897 N ASP A 229 161.161 187.076 209.544 1.00 0.00 -0.343 N +ATOM 1898 CB ASP A 229 160.017 188.058 211.483 1.00 0.00 0.087 C +ATOM 1899 CG ASP A 229 158.640 187.529 211.099 1.00 0.00 0.044 C +ATOM 1900 OD1 ASP A 229 158.550 186.507 210.388 1.00 0.00 -0.548 OA +ATOM 1901 OD2 ASP A 229 157.637 188.154 211.503 1.00 0.00 -0.549 OA +ATOM 1902 H ASP A 229 160.399 186.861 209.210 1.00 0.00 0.164 HD +ATOM 1903 C LEU A 230 159.630 183.137 212.167 1.00 0.00 0.243 C +ATOM 1904 O LEU A 230 159.648 182.302 213.071 1.00 0.00 -0.272 OA +ATOM 1905 CA LEU A 230 160.857 183.367 211.278 1.00 0.00 0.172 C +ATOM 1906 N LEU A 230 160.951 184.752 210.819 1.00 0.00 -0.345 N +ATOM 1907 CB LEU A 230 162.145 182.959 212.009 1.00 0.00 0.038 C +ATOM 1908 CG LEU A 230 163.214 182.311 211.118 1.00 0.00 -0.015 C +ATOM 1909 CD1 LEU A 230 163.588 183.206 209.947 1.00 0.00 0.007 C +ATOM 1910 CD2 LEU A 230 164.443 181.963 211.942 1.00 0.00 0.007 C +ATOM 1911 H LEU A 230 160.922 184.831 209.963 1.00 0.00 0.165 HD +ATOM 1912 C ASN A 231 156.740 182.262 212.359 1.00 0.00 0.242 C +ATOM 1913 O ASN A 231 155.944 181.750 213.141 1.00 0.00 -0.273 OA +ATOM 1914 CA ASN A 231 157.306 183.653 212.621 1.00 0.00 0.180 C +ATOM 1915 N ASN A 231 158.550 183.861 211.892 1.00 0.00 -0.342 N +ATOM 1916 CB ASN A 231 156.272 184.717 212.246 1.00 0.00 0.134 C +ATOM 1917 CG ASN A 231 155.619 184.454 210.907 1.00 0.00 0.220 C +ATOM 1918 OD1 ASN A 231 154.640 183.716 210.816 1.00 0.00 -0.275 OA +ATOM 1919 ND2 ASN A 231 156.152 185.064 209.857 1.00 0.00 -0.368 N +ATOM 1920 HD22 ASN A 231 155.816 184.946 209.075 1.00 0.00 0.159 HD +ATOM 1921 HD21 ASN A 231 156.834 185.578 209.960 1.00 0.00 0.159 HD +ATOM 1922 H ASN A 231 158.511 184.475 211.291 1.00 0.00 0.164 HD +ATOM 1923 C HIS A 232 157.426 179.253 211.789 1.00 0.00 0.242 C +ATOM 1924 O HIS A 232 157.092 178.072 211.744 1.00 0.00 -0.272 OA +ATOM 1925 CA HIS A 232 156.706 180.298 210.934 1.00 0.00 0.177 C +ATOM 1926 N HIS A 232 157.157 181.646 211.258 1.00 0.00 -0.343 N +ATOM 1927 CB HIS A 232 156.899 180.000 209.441 1.00 0.00 0.093 C +ATOM 1928 CG HIS A 232 158.325 180.012 208.988 1.00 0.00 0.061 A +ATOM 1929 ND1 HIS A 232 159.309 180.742 209.620 1.00 0.00 -0.242 NA +ATOM 1930 CD2 HIS A 232 158.930 179.386 207.952 1.00 0.00 0.107 A +ATOM 1931 CE1 HIS A 232 160.458 180.562 208.996 1.00 0.00 0.196 A +ATOM 1932 NE2 HIS A 232 160.255 179.742 207.982 1.00 0.00 -0.350 N +ATOM 1933 HE2 HIS A 232 160.856 179.476 207.427 1.00 0.00 0.167 HD +ATOM 1934 H HIS A 232 157.699 181.987 210.684 1.00 0.00 0.164 HD +ATOM 1935 C ILE A 233 158.561 179.256 214.973 1.00 0.00 0.243 C +ATOM 1936 O ILE A 233 158.209 178.400 215.784 1.00 0.00 -0.272 OA +ATOM 1937 CA ILE A 233 159.042 178.862 213.578 1.00 0.00 0.174 C +ATOM 1938 N ILE A 233 158.407 179.700 212.567 1.00 0.00 -0.343 N +ATOM 1939 CB ILE A 233 160.581 178.970 213.520 1.00 0.00 0.018 C +ATOM 1940 CG2 ILE A 233 161.223 178.256 214.712 1.00 0.00 0.010 C +ATOM 1941 CG1 ILE A 233 161.101 178.371 212.213 1.00 0.00 0.002 C +ATOM 1942 CD1 ILE A 233 162.549 178.676 211.930 1.00 0.00 0.004 C +ATOM 1943 H ILE A 233 158.727 180.497 212.528 1.00 0.00 0.164 HD +ATOM 1944 C TYR A 234 156.909 181.573 216.853 1.00 0.00 0.243 C +ATOM 1945 O TYR A 234 156.559 181.855 217.997 1.00 0.00 -0.272 OA +ATOM 1946 CA TYR A 234 158.324 181.075 216.584 1.00 0.00 0.175 C +ATOM 1947 N TYR A 234 158.533 180.559 215.234 1.00 0.00 -0.343 N +ATOM 1948 CB TYR A 234 159.314 182.207 216.856 1.00 0.00 0.070 C +ATOM 1949 CG TYR A 234 160.751 181.765 216.757 1.00 0.00 -0.045 A +ATOM 1950 CD1 TYR A 234 161.298 180.915 217.708 1.00 0.00 0.007 A +ATOM 1951 CD2 TYR A 234 161.560 182.188 215.712 1.00 0.00 0.007 A +ATOM 1952 CE1 TYR A 234 162.610 180.500 217.623 1.00 0.00 0.046 A +ATOM 1953 CE2 TYR A 234 162.876 181.777 215.620 1.00 0.00 0.046 A +ATOM 1954 CZ TYR A 234 163.394 180.936 216.577 1.00 0.00 0.115 A +ATOM 1955 OH TYR A 234 164.701 180.526 216.492 1.00 0.00 -0.507 OA +ATOM 1956 HH TYR A 234 165.063 180.861 215.813 1.00 0.00 0.294 HD +ATOM 1957 H TYR A 234 158.634 181.172 214.640 1.00 0.00 0.164 HD +ATOM 1958 C GLY A 235 154.665 183.677 215.686 1.00 0.00 0.239 C +ATOM 1959 O GLY A 235 155.604 184.419 215.970 1.00 0.00 -0.273 OA +ATOM 1960 CA GLY A 235 154.744 182.184 215.944 1.00 0.00 0.216 C +ATOM 1961 N GLY A 235 156.100 181.683 215.805 1.00 0.00 -0.346 N +ATOM 1962 H GLY A 235 156.316 181.472 215.000 1.00 0.00 0.164 HD +ATOM 1963 C GLU A 236 153.204 186.393 216.043 1.00 0.00 0.242 C +ATOM 1964 O GLU A 236 153.739 187.500 216.084 1.00 0.00 -0.273 OA +ATOM 1965 CA GLU A 236 153.333 185.516 214.800 1.00 0.00 0.171 C +ATOM 1966 N GLU A 236 153.535 184.113 215.145 1.00 0.00 -0.344 N +ATOM 1967 CB GLU A 236 152.090 185.656 213.915 1.00 0.00 0.041 C +ATOM 1968 CG GLU A 236 151.715 187.087 213.538 1.00 0.00 0.055 C +ATOM 1969 CD GLU A 236 152.670 187.724 212.541 1.00 0.00 0.041 C +ATOM 1970 OE1 GLU A 236 153.338 186.991 211.781 1.00 0.00 -0.548 OA +ATOM 1971 OE2 GLU A 236 152.747 188.969 212.514 1.00 0.00 -0.549 OA +ATOM 1972 H GLU A 236 152.861 183.611 214.965 1.00 0.00 0.164 HD +ATOM 1973 C THR A 237 153.062 186.175 219.446 1.00 0.00 0.245 C +ATOM 1974 O THR A 237 153.543 185.043 219.447 1.00 0.00 -0.273 OA +ATOM 1975 CA THR A 237 152.239 186.674 218.267 1.00 0.00 0.199 C +ATOM 1976 N THR A 237 152.497 185.898 217.055 1.00 0.00 -0.341 N +ATOM 1977 CB THR A 237 150.753 186.628 218.663 1.00 0.00 0.143 C +ATOM 1978 CG2 THR A 237 149.873 187.092 217.510 1.00 0.00 0.041 C +ATOM 1979 OG1 THR A 237 150.396 185.291 219.037 1.00 0.00 -0.389 OA +ATOM 1980 HG1 THR A 237 149.585 185.261 219.254 1.00 0.00 0.211 HD +ATOM 1981 H THR A 237 152.154 185.110 217.065 1.00 0.00 0.164 HD +ATOM 1982 C LEU A 238 153.169 185.524 222.366 1.00 0.00 0.243 C +ATOM 1983 O LEU A 238 153.776 184.658 222.990 1.00 0.00 -0.272 OA +ATOM 1984 CA LEU A 238 153.918 186.651 221.666 1.00 0.00 0.172 C +ATOM 1985 N LEU A 238 153.221 187.032 220.448 1.00 0.00 -0.345 N +ATOM 1986 CB LEU A 238 154.064 187.851 222.603 1.00 0.00 0.038 C +ATOM 1987 CG LEU A 238 154.743 187.565 223.945 1.00 0.00 -0.015 C +ATOM 1988 CD1 LEU A 238 156.196 187.203 223.739 1.00 0.00 0.007 C +ATOM 1989 CD2 LEU A 238 154.612 188.751 224.882 1.00 0.00 0.007 C +ATOM 1990 H LEU A 238 152.932 187.842 220.446 1.00 0.00 0.165 HD +ATOM 1991 C ALA A 239 151.296 183.139 222.339 1.00 0.00 0.243 C +ATOM 1992 O ALA A 239 151.381 182.170 223.091 1.00 0.00 -0.272 OA +ATOM 1993 CA ALA A 239 151.013 184.531 222.894 1.00 0.00 0.168 C +ATOM 1994 N ALA A 239 151.847 185.536 222.246 1.00 0.00 -0.344 N +ATOM 1995 CB ALA A 239 149.547 184.878 222.725 1.00 0.00 0.041 C +ATOM 1996 H ALA A 239 151.405 186.118 221.793 1.00 0.00 0.164 HD +ATOM 1997 C ARG A 240 153.188 181.346 220.705 1.00 0.00 0.242 C +ATOM 1998 O ARG A 240 153.451 180.183 221.009 1.00 0.00 -0.273 OA +ATOM 1999 CA ARG A 240 151.753 181.763 220.392 1.00 0.00 0.171 C +ATOM 2000 N ARG A 240 151.442 183.040 221.022 1.00 0.00 -0.344 N +ATOM 2001 CB ARG A 240 151.542 181.839 218.882 1.00 0.00 0.038 C +ATOM 2002 CG ARG A 240 151.673 180.501 218.185 1.00 0.00 0.040 C +ATOM 2003 CD ARG A 240 151.230 180.581 216.737 1.00 0.00 0.197 C +ATOM 2004 NE ARG A 240 151.337 179.287 216.069 1.00 0.00 -0.278 N +ATOM 2005 HE ARG A 240 152.062 179.119 215.639 1.00 0.00 0.260 HD +ATOM 2006 CZ ARG A 240 150.393 178.351 216.078 1.00 0.00 0.339 C +ATOM 2007 NH1 ARG A 240 149.251 178.549 216.720 1.00 0.00 -0.290 N +ATOM 2008 NH2 ARG A 240 150.593 177.206 215.440 1.00 0.00 -0.290 N +ATOM 2009 HH12 ARG A 240 149.115 179.289 217.137 1.00 0.00 0.256 HD +ATOM 2010 HH11 ARG A 240 148.646 177.938 216.720 1.00 0.00 0.256 HD +ATOM 2011 HH22 ARG A 240 151.332 177.070 215.021 1.00 0.00 0.256 HD +ATOM 2012 HH21 ARG A 240 149.983 176.599 215.443 1.00 0.00 0.256 HD +ATOM 2013 H ARG A 240 151.367 183.697 220.472 1.00 0.00 0.164 HD +ATOM 2014 C GLN A 241 155.613 181.437 222.364 1.00 0.00 0.242 C +ATOM 2015 O GLN A 241 156.383 180.504 222.577 1.00 0.00 -0.273 OA +ATOM 2016 CA GLN A 241 155.502 182.062 220.977 1.00 0.00 0.171 C +ATOM 2017 N GLN A 241 154.107 182.303 220.630 1.00 0.00 -0.343 N +ATOM 2018 CB GLN A 241 156.302 183.366 220.927 1.00 0.00 0.045 C +ATOM 2019 CG GLN A 241 157.802 183.179 221.108 1.00 0.00 0.102 C +ATOM 2020 CD GLN A 241 158.514 184.456 221.501 1.00 0.00 0.217 C +ATOM 2021 OE1 GLN A 241 158.924 184.619 222.648 1.00 0.00 -0.275 OA +ATOM 2022 NE2 GLN A 241 158.677 185.363 220.547 1.00 0.00 -0.368 N +ATOM 2023 HE22 GLN A 241 158.384 185.211 219.754 1.00 0.00 0.159 HD +ATOM 2024 HE21 GLN A 241 159.076 186.105 220.723 1.00 0.00 0.159 HD +ATOM 2025 H GLN A 241 153.945 183.109 220.379 1.00 0.00 0.164 HD +ATOM 2026 C ARG A 242 154.391 180.062 224.836 1.00 0.00 0.242 C +ATOM 2027 O ARG A 242 154.840 179.340 225.721 1.00 0.00 -0.273 OA +ATOM 2028 CA ARG A 242 154.880 181.501 224.681 1.00 0.00 0.171 C +ATOM 2029 N ARG A 242 154.829 181.956 223.300 1.00 0.00 -0.344 N +ATOM 2030 CB ARG A 242 154.059 182.437 225.565 1.00 0.00 0.038 C +ATOM 2031 CG ARG A 242 154.776 183.737 225.882 1.00 0.00 0.040 C +ATOM 2032 CD ARG A 242 153.967 184.609 226.811 1.00 0.00 0.197 C +ATOM 2033 NE ARG A 242 154.716 185.788 227.232 1.00 0.00 -0.278 N +ATOM 2034 HE ARG A 242 155.484 185.926 226.872 1.00 0.00 0.260 HD +ATOM 2035 CZ ARG A 242 154.288 186.664 228.136 1.00 0.00 0.339 C +ATOM 2036 NH1 ARG A 242 153.109 186.497 228.722 1.00 0.00 -0.290 N +ATOM 2037 NH2 ARG A 242 155.041 187.706 228.457 1.00 0.00 -0.290 N +ATOM 2038 HH12 ARG A 242 152.618 185.821 228.517 1.00 0.00 0.256 HD +ATOM 2039 HH11 ARG A 242 152.835 187.066 229.306 1.00 0.00 0.256 HD +ATOM 2040 HH22 ARG A 242 155.806 187.817 228.079 1.00 0.00 0.256 HD +ATOM 2041 HH21 ARG A 242 154.765 188.273 229.041 1.00 0.00 0.256 HD +ATOM 2042 H ARG A 242 154.253 182.579 223.159 1.00 0.00 0.164 HD +ATOM 2043 C LYS A 243 154.039 177.303 223.438 1.00 0.00 0.242 C +ATOM 2044 O LYS A 243 154.095 176.150 223.859 1.00 0.00 -0.273 OA +ATOM 2045 CA LYS A 243 152.992 178.276 223.973 1.00 0.00 0.171 C +ATOM 2046 N LYS A 243 153.478 179.648 223.966 1.00 0.00 -0.344 N +ATOM 2047 CB LYS A 243 151.715 178.163 223.145 1.00 0.00 0.035 C +ATOM 2048 CG LYS A 243 150.504 178.809 223.791 1.00 0.00 0.008 C +ATOM 2049 CD LYS A 243 149.291 178.730 222.888 1.00 0.00 0.061 C +ATOM 2050 CE LYS A 243 148.039 179.204 223.604 1.00 0.00 0.258 C +ATOM 2051 NZ LYS A 243 146.847 179.175 222.716 1.00 0.00 -0.357 N +ATOM 2052 HZ1 LYS A 243 146.130 179.457 223.161 1.00 0.00 0.345 HD +ATOM 2053 HZ2 LYS A 243 146.979 179.705 222.014 1.00 0.00 0.345 HD +ATOM 2054 HZ3 LYS A 243 146.702 178.345 222.430 1.00 0.00 0.345 HD +ATOM 2055 H LYS A 243 153.123 180.143 223.360 1.00 0.00 0.164 HD +ATOM 2056 C LEU A 244 157.180 176.845 222.556 1.00 0.00 0.243 C +ATOM 2057 O LEU A 244 157.959 175.924 222.317 1.00 0.00 -0.272 OA +ATOM 2058 CA LEU A 244 155.839 176.927 221.830 1.00 0.00 0.172 C +ATOM 2059 N LEU A 244 154.870 177.777 222.515 1.00 0.00 -0.345 N +ATOM 2060 CB LEU A 244 156.066 177.436 220.403 1.00 0.00 0.038 C +ATOM 2061 CG LEU A 244 154.870 177.377 219.451 1.00 0.00 -0.015 C +ATOM 2062 CD1 LEU A 244 155.212 178.061 218.134 1.00 0.00 0.007 C +ATOM 2063 CD2 LEU A 244 154.434 175.943 219.207 1.00 0.00 0.007 C +ATOM 2064 H LEU A 244 154.893 178.599 222.264 1.00 0.00 0.165 HD +ATOM 2065 C ARG A 245 158.765 176.969 225.356 1.00 0.00 0.242 C +ATOM 2066 O ARG A 245 157.733 176.697 225.971 1.00 0.00 -0.273 OA +ATOM 2067 CA ARG A 245 158.740 177.862 224.119 1.00 0.00 0.171 C +ATOM 2068 N ARG A 245 157.455 177.809 223.427 1.00 0.00 -0.344 N +ATOM 2069 CB ARG A 245 159.077 179.304 224.513 1.00 0.00 0.038 C +ATOM 2070 CG ARG A 245 159.653 180.142 223.379 1.00 0.00 0.040 C +ATOM 2071 CD ARG A 245 159.910 181.583 223.804 1.00 0.00 0.197 C +ATOM 2072 NE ARG A 245 160.840 181.686 224.927 1.00 0.00 -0.278 N +ATOM 2073 HE ARG A 245 161.190 180.960 225.226 1.00 0.00 0.260 HD +ATOM 2074 CZ ARG A 245 161.180 182.828 225.518 1.00 0.00 0.339 C +ATOM 2075 NH1 ARG A 245 160.669 183.977 225.097 1.00 0.00 -0.290 N +ATOM 2076 NH2 ARG A 245 162.032 182.826 226.532 1.00 0.00 -0.290 N +ATOM 2077 HH12 ARG A 245 160.116 183.986 224.439 1.00 0.00 0.256 HD +ATOM 2078 HH11 ARG A 245 160.892 184.713 225.482 1.00 0.00 0.256 HD +ATOM 2079 HH22 ARG A 245 162.367 182.084 226.811 1.00 0.00 0.256 HD +ATOM 2080 HH21 ARG A 245 162.250 183.566 226.912 1.00 0.00 0.256 HD +ATOM 2081 H ARG A 245 156.915 178.445 223.636 1.00 0.00 0.164 HD +ATOM 2082 C LEU A 246 160.427 176.501 228.129 1.00 0.00 0.243 C +ATOM 2083 O LEU A 246 160.190 176.050 229.248 1.00 0.00 -0.272 OA +ATOM 2084 CA LEU A 246 160.164 175.667 226.877 1.00 0.00 0.172 C +ATOM 2085 N LEU A 246 159.963 176.520 225.714 1.00 0.00 -0.345 N +ATOM 2086 CB LEU A 246 161.328 174.706 226.622 1.00 0.00 0.038 C +ATOM 2087 CG LEU A 246 161.644 173.667 227.698 1.00 0.00 -0.015 C +ATOM 2088 CD1 LEU A 246 160.442 172.778 227.973 1.00 0.00 0.007 C +ATOM 2089 CD2 LEU A 246 162.838 172.833 227.273 1.00 0.00 0.007 C +ATOM 2090 H LEU A 246 160.689 176.700 225.289 1.00 0.00 0.165 HD +ATOM 2091 C PHE A 247 162.350 178.009 229.906 1.00 0.00 0.243 C +ATOM 2092 O PHE A 247 162.419 178.285 231.102 1.00 0.00 -0.272 OA +ATOM 2093 CA PHE A 247 161.289 178.632 229.002 1.00 0.00 0.175 C +ATOM 2094 N PHE A 247 160.921 177.720 227.918 1.00 0.00 -0.343 N +ATOM 2095 CB PHE A 247 160.050 179.050 229.798 1.00 0.00 0.070 C +ATOM 2096 CG PHE A 247 159.160 179.988 229.045 1.00 0.00 -0.045 A +ATOM 2097 CD1 PHE A 247 159.520 181.313 228.885 1.00 0.00 0.004 A +ATOM 2098 CD2 PHE A 247 157.985 179.542 228.471 1.00 0.00 0.004 A +ATOM 2099 CE1 PHE A 247 158.719 182.181 228.179 1.00 0.00 0.000 A +ATOM 2100 CE2 PHE A 247 157.179 180.408 227.763 1.00 0.00 0.000 A +ATOM 2101 CZ PHE A 247 157.548 181.730 227.618 1.00 0.00 0.000 A +ATOM 2102 H PHE A 247 161.055 178.051 227.136 1.00 0.00 0.164 HD +ATOM 2103 C LYS A 248 165.491 176.678 228.880 1.00 0.00 0.242 C +ATOM 2104 O LYS A 248 165.338 176.155 227.776 1.00 0.00 -0.273 OA +ATOM 2105 CA LYS A 248 164.377 176.638 229.916 1.00 0.00 0.171 C +ATOM 2106 N LYS A 248 163.178 177.171 229.294 1.00 0.00 -0.344 N +ATOM 2107 CB LYS A 248 164.141 175.211 230.424 1.00 0.00 0.035 C +ATOM 2108 CG LYS A 248 165.405 174.386 230.671 1.00 0.00 0.008 C +ATOM 2109 CD LYS A 248 165.062 172.920 230.892 1.00 0.00 0.061 C +ATOM 2110 CE LYS A 248 166.170 172.001 230.382 1.00 0.00 0.258 C +ATOM 2111 NZ LYS A 248 165.682 170.611 230.151 1.00 0.00 -0.357 N +ATOM 2112 HZ1 LYS A 248 166.348 170.100 229.856 1.00 0.00 0.345 HD +ATOM 2113 HZ2 LYS A 248 165.370 170.269 230.911 1.00 0.00 0.345 HD +ATOM 2114 HZ3 LYS A 248 165.029 170.615 229.546 1.00 0.00 0.345 HD +ATOM 2115 H LYS A 248 163.059 176.889 228.490 1.00 0.00 0.164 HD +ATOM 2116 C ASP A 249 167.487 177.975 227.003 1.00 0.00 0.242 C +ATOM 2117 O ASP A 249 168.188 177.693 226.031 1.00 0.00 -0.273 OA +ATOM 2118 CA ASP A 249 167.780 177.363 228.372 1.00 0.00 0.176 C +ATOM 2119 N ASP A 249 166.600 177.319 229.233 1.00 0.00 -0.343 N +ATOM 2120 CB ASP A 249 168.355 175.955 228.197 1.00 0.00 0.087 C +ATOM 2121 CG ASP A 249 168.786 175.337 229.510 1.00 0.00 0.044 C +ATOM 2122 OD1 ASP A 249 169.151 176.097 230.432 1.00 0.00 -0.548 OA +ATOM 2123 OD2 ASP A 249 168.760 174.094 229.619 1.00 0.00 -0.549 OA +ATOM 2124 H ASP A 249 166.697 177.742 229.975 1.00 0.00 0.164 HD +ATOM 2125 C GLY A 250 165.503 178.644 224.641 1.00 0.00 0.239 C +ATOM 2126 O GLY A 250 165.294 179.084 223.512 1.00 0.00 -0.273 OA +ATOM 2127 CA GLY A 250 166.122 179.521 225.710 1.00 0.00 0.216 C +ATOM 2128 N GLY A 250 166.452 178.808 226.932 1.00 0.00 -0.346 N +ATOM 2129 H GLY A 250 165.922 178.977 227.587 1.00 0.00 0.164 HD +ATOM 2130 C LYS A 251 163.323 176.419 223.663 1.00 0.00 0.242 C +ATOM 2131 O LYS A 251 162.507 177.051 224.328 1.00 0.00 -0.273 OA +ATOM 2132 CA LYS A 251 164.803 176.403 224.022 1.00 0.00 0.171 C +ATOM 2133 N LYS A 251 165.185 177.409 225.004 1.00 0.00 -0.344 N +ATOM 2134 CB LYS A 251 165.190 175.014 224.530 1.00 0.00 0.035 C +ATOM 2135 CG LYS A 251 166.667 174.716 224.353 1.00 0.00 0.008 C +ATOM 2136 CD LYS A 251 167.051 173.352 224.875 1.00 0.00 0.061 C +ATOM 2137 CE LYS A 251 168.510 173.060 224.566 1.00 0.00 0.258 C +ATOM 2138 NZ LYS A 251 168.901 171.667 224.902 1.00 0.00 -0.357 N +ATOM 2139 HZ1 LYS A 251 169.759 171.536 224.707 1.00 0.00 0.345 HD +ATOM 2140 HZ2 LYS A 251 168.776 171.518 225.771 1.00 0.00 0.345 HD +ATOM 2141 HZ3 LYS A 251 168.407 171.092 224.436 1.00 0.00 0.345 HD +ATOM 2142 H LYS A 251 165.183 177.126 225.816 1.00 0.00 0.164 HD +ATOM 2143 C MET A 252 161.180 174.118 222.579 1.00 0.00 0.242 C +ATOM 2144 O MET A 252 161.980 173.185 222.597 1.00 0.00 -0.272 OA +ATOM 2145 CA MET A 252 161.636 175.507 222.144 1.00 0.00 0.172 C +ATOM 2146 N MET A 252 163.007 175.717 222.582 1.00 0.00 -0.344 N +ATOM 2147 CB MET A 252 161.541 175.654 220.624 1.00 0.00 0.046 C +ATOM 2148 CG MET A 252 161.834 177.057 220.119 1.00 0.00 0.072 C +ATOM 2149 SD MET A 252 160.436 178.175 220.311 1.00 0.00 -0.165 SA +ATOM 2150 CE MET A 252 159.435 177.686 218.911 1.00 0.00 0.085 C +ATOM 2151 H MET A 252 163.588 175.341 222.072 1.00 0.00 0.164 HD +ATOM 2152 C LYS A 253 159.559 171.666 222.206 1.00 0.00 0.242 C +ATOM 2153 O LYS A 253 159.667 172.029 221.038 1.00 0.00 -0.273 OA +ATOM 2154 CA LYS A 253 159.347 172.688 223.317 1.00 0.00 0.171 C +ATOM 2155 N LYS A 253 159.906 173.985 222.940 1.00 0.00 -0.344 N +ATOM 2156 CB LYS A 253 157.854 172.809 223.631 1.00 0.00 0.035 C +ATOM 2157 CG LYS A 253 157.527 173.429 224.984 1.00 0.00 0.008 C +ATOM 2158 CD LYS A 253 156.046 173.275 225.301 1.00 0.00 0.061 C +ATOM 2159 CE LYS A 253 155.692 173.798 226.685 1.00 0.00 0.258 C +ATOM 2160 NZ LYS A 253 154.999 175.121 226.627 1.00 0.00 -0.357 N +ATOM 2161 HZ1 LYS A 253 154.805 175.399 227.450 1.00 0.00 0.345 HD +ATOM 2162 HZ2 LYS A 253 155.525 175.722 226.234 1.00 0.00 0.345 HD +ATOM 2163 HZ3 LYS A 253 154.244 175.048 226.161 1.00 0.00 0.345 HD +ATOM 2164 H LYS A 253 159.342 174.633 222.976 1.00 0.00 0.164 HD +ATOM 2165 C TYR A 254 159.478 167.956 222.131 1.00 0.00 0.243 C +ATOM 2166 O TYR A 254 159.245 167.788 223.326 1.00 0.00 -0.272 OA +ATOM 2167 CA TYR A 254 159.839 169.335 221.588 1.00 0.00 0.175 C +ATOM 2168 N TYR A 254 159.616 170.390 222.569 1.00 0.00 -0.343 N +ATOM 2169 CB TYR A 254 161.300 169.338 221.130 1.00 0.00 0.070 C +ATOM 2170 CG TYR A 254 162.289 169.080 222.244 1.00 0.00 -0.045 A +ATOM 2171 CD1 TYR A 254 162.780 170.122 223.013 1.00 0.00 0.007 A +ATOM 2172 CD2 TYR A 254 162.729 167.795 222.526 1.00 0.00 0.007 A +ATOM 2173 CE1 TYR A 254 163.682 169.896 224.032 1.00 0.00 0.046 A +ATOM 2174 CE2 TYR A 254 163.632 167.557 223.545 1.00 0.00 0.046 A +ATOM 2175 CZ TYR A 254 164.104 168.612 224.295 1.00 0.00 0.115 A +ATOM 2176 OH TYR A 254 165.004 168.385 225.311 1.00 0.00 -0.507 OA +ATOM 2177 HH TYR A 254 165.176 167.565 225.364 1.00 0.00 0.294 HD +ATOM 2178 H TYR A 254 159.529 170.108 223.377 1.00 0.00 0.164 HD +ATOM 2179 C GLN A 255 160.474 164.775 221.220 1.00 0.00 0.242 C +ATOM 2180 O GLN A 255 161.169 165.117 220.268 1.00 0.00 -0.273 OA +ATOM 2181 CA GLN A 255 159.242 165.579 221.590 1.00 0.00 0.171 C +ATOM 2182 N GLN A 255 159.432 166.979 221.230 1.00 0.00 -0.343 N +ATOM 2183 CB GLN A 255 158.038 164.975 220.869 1.00 0.00 0.045 C +ATOM 2184 CG GLN A 255 156.696 165.539 221.243 1.00 0.00 0.102 C +ATOM 2185 CD GLN A 255 155.579 164.884 220.455 1.00 0.00 0.217 C +ATOM 2186 OE1 GLN A 255 155.011 163.881 220.881 1.00 0.00 -0.275 OA +ATOM 2187 NE2 GLN A 255 155.271 165.442 219.291 1.00 0.00 -0.368 N +ATOM 2188 HE22 GLN A 255 155.698 166.138 219.021 1.00 0.00 0.159 HD +ATOM 2189 HE21 GLN A 255 154.644 165.107 218.806 1.00 0.00 0.159 HD +ATOM 2190 H GLN A 255 159.509 167.107 220.383 1.00 0.00 0.164 HD +ATOM 2191 C ILE A 256 160.889 161.446 221.104 1.00 0.00 0.243 C +ATOM 2192 O ILE A 256 160.298 160.763 221.939 1.00 0.00 -0.272 OA +ATOM 2193 CA ILE A 256 161.675 162.682 221.520 1.00 0.00 0.174 C +ATOM 2194 N ILE A 256 160.734 163.703 221.962 1.00 0.00 -0.343 N +ATOM 2195 CB ILE A 256 162.696 162.303 222.604 1.00 0.00 0.018 C +ATOM 2196 CG2 ILE A 256 163.695 161.285 222.057 1.00 0.00 0.010 C +ATOM 2197 CG1 ILE A 256 163.427 163.547 223.115 1.00 0.00 0.002 C +ATOM 2198 CD1 ILE A 256 164.180 164.315 222.045 1.00 0.00 0.004 C +ATOM 2199 H ILE A 256 160.376 163.544 222.728 1.00 0.00 0.164 HD +ATOM 2200 C ILE A 257 161.240 159.215 218.450 1.00 0.00 0.243 C +ATOM 2201 O ILE A 257 161.921 159.760 217.584 1.00 0.00 -0.272 OA +ATOM 2202 CA ILE A 257 160.216 160.013 219.239 1.00 0.00 0.174 C +ATOM 2203 N ILE A 257 160.875 161.183 219.802 1.00 0.00 -0.343 N +ATOM 2204 CB ILE A 257 159.037 160.390 218.317 1.00 0.00 0.018 C +ATOM 2205 CG2 ILE A 257 158.261 159.137 217.923 1.00 0.00 0.010 C +ATOM 2206 CG1 ILE A 257 158.120 161.411 219.003 1.00 0.00 0.002 C +ATOM 2207 CD1 ILE A 257 156.980 161.911 218.134 1.00 0.00 0.004 C +ATOM 2208 H ILE A 257 161.251 161.681 219.210 1.00 0.00 0.164 HD +ATOM 2209 C ASP A 258 163.748 157.597 218.306 1.00 0.00 0.242 C +ATOM 2210 O ASP A 258 164.610 157.408 217.450 1.00 0.00 -0.273 OA +ATOM 2211 CA ASP A 258 162.332 157.056 218.121 1.00 0.00 0.176 C +ATOM 2212 N ASP A 258 161.350 157.926 218.762 1.00 0.00 -0.343 N +ATOM 2213 CB ASP A 258 162.024 156.900 216.630 1.00 0.00 0.087 C +ATOM 2214 CG ASP A 258 160.611 156.420 216.373 1.00 0.00 0.044 C +ATOM 2215 OD1 ASP A 258 160.118 155.579 217.149 1.00 0.00 -0.548 OA +ATOM 2216 OD2 ASP A 258 159.992 156.888 215.394 1.00 0.00 -0.549 OA +ATOM 2217 H ASP A 258 160.862 157.527 219.347 1.00 0.00 0.164 HD +ATOM 2218 C GLY A 259 165.662 160.078 219.028 1.00 0.00 0.239 C +ATOM 2219 O GLY A 259 166.829 160.471 219.024 1.00 0.00 -0.273 OA +ATOM 2220 CA GLY A 259 165.290 158.797 219.758 1.00 0.00 0.216 C +ATOM 2221 N GLY A 259 163.974 158.280 219.424 1.00 0.00 -0.346 N +ATOM 2222 H GLY A 259 163.372 158.458 220.012 1.00 0.00 0.164 HD +ATOM 2223 C GLU A 260 163.976 163.080 218.024 1.00 0.00 0.242 C +ATOM 2224 O GLU A 260 162.847 162.843 218.439 1.00 0.00 -0.273 OA +ATOM 2225 CA GLU A 260 164.924 161.947 217.644 1.00 0.00 0.171 C +ATOM 2226 N GLU A 260 164.678 160.730 218.416 1.00 0.00 -0.344 N +ATOM 2227 CB GLU A 260 164.799 161.655 216.152 1.00 0.00 0.041 C +ATOM 2228 CG GLU A 260 165.853 160.702 215.631 1.00 0.00 0.055 C +ATOM 2229 CD GLU A 260 166.392 161.125 214.286 1.00 0.00 0.041 C +ATOM 2230 OE1 GLU A 260 165.758 160.797 213.261 1.00 0.00 -0.548 OA +ATOM 2231 OE2 GLU A 260 167.446 161.795 214.254 1.00 0.00 -0.549 OA +ATOM 2232 H GLU A 260 163.853 160.487 218.432 1.00 0.00 0.164 HD +ATOM 2233 C MET A 261 162.631 165.867 217.219 1.00 0.00 0.242 C +ATOM 2234 O MET A 261 162.937 166.016 216.039 1.00 0.00 -0.272 OA +ATOM 2235 CA MET A 261 163.682 165.489 218.258 1.00 0.00 0.172 C +ATOM 2236 N MET A 261 164.447 164.312 217.862 1.00 0.00 -0.344 N +ATOM 2237 CB MET A 261 164.618 166.676 218.497 1.00 0.00 0.046 C +ATOM 2238 CG MET A 261 163.900 167.965 218.876 1.00 0.00 0.072 C +ATOM 2239 SD MET A 261 165.027 169.341 219.171 1.00 0.00 -0.165 SA +ATOM 2240 CE MET A 261 165.928 168.753 220.601 1.00 0.00 0.085 C +ATOM 2241 H MET A 261 165.216 164.495 217.522 1.00 0.00 0.164 HD +ATOM 2242 C TYR A 262 159.572 167.629 217.480 1.00 0.00 0.243 C +ATOM 2243 O TYR A 262 159.756 167.882 218.669 1.00 0.00 -0.272 OA +ATOM 2244 CA TYR A 262 160.296 166.463 216.824 1.00 0.00 0.175 C +ATOM 2245 N TYR A 262 161.393 166.019 217.674 1.00 0.00 -0.343 N +ATOM 2246 CB TYR A 262 159.322 165.317 216.558 1.00 0.00 0.070 C +ATOM 2247 CG TYR A 262 159.849 164.294 215.582 1.00 0.00 -0.045 A +ATOM 2248 CD1 TYR A 262 160.423 163.111 216.026 1.00 0.00 0.007 A +ATOM 2249 CD2 TYR A 262 159.777 164.516 214.214 1.00 0.00 0.007 A +ATOM 2250 CE1 TYR A 262 160.905 162.179 215.137 1.00 0.00 0.046 A +ATOM 2251 CE2 TYR A 262 160.258 163.586 213.318 1.00 0.00 0.046 A +ATOM 2252 CZ TYR A 262 160.820 162.419 213.785 1.00 0.00 0.115 A +ATOM 2253 OH TYR A 262 161.300 161.489 212.894 1.00 0.00 -0.507 OA +ATOM 2254 HH TYR A 262 161.186 161.760 212.107 1.00 0.00 0.294 HD +ATOM 2255 H TYR A 262 161.159 165.869 218.488 1.00 0.00 0.164 HD +ATOM 2256 C PRO A 263 156.987 168.900 218.342 1.00 0.00 0.243 C +ATOM 2257 O PRO A 263 156.600 167.736 218.265 1.00 0.00 -0.271 OA +ATOM 2258 CA PRO A 263 157.973 169.434 217.313 1.00 0.00 0.175 C +ATOM 2259 N PRO A 263 158.745 168.346 216.708 1.00 0.00 -0.329 N +ATOM 2260 CB PRO A 263 157.242 170.062 216.120 1.00 0.00 0.037 C +ATOM 2261 CG PRO A 263 157.979 169.597 214.912 1.00 0.00 0.024 C +ATOM 2262 CD PRO A 263 158.512 168.248 215.258 1.00 0.00 0.121 C +ATOM 2263 C PRO A 264 154.237 169.125 219.732 1.00 0.00 0.243 C +ATOM 2264 O PRO A 264 154.007 169.472 218.574 1.00 0.00 -0.271 OA +ATOM 2265 CA PRO A 264 155.630 169.306 220.317 1.00 0.00 0.175 C +ATOM 2266 N PRO A 264 156.580 169.745 219.295 1.00 0.00 -0.329 N +ATOM 2267 CB PRO A 264 155.666 170.444 221.333 1.00 0.00 0.037 C +ATOM 2268 CG PRO A 264 155.972 171.650 220.504 1.00 0.00 0.024 C +ATOM 2269 CD PRO A 264 156.889 171.180 219.408 1.00 0.00 0.121 C +ATOM 2270 C THR A 265 151.084 169.595 220.358 1.00 0.00 0.245 C +ATOM 2271 O THR A 265 151.437 170.452 221.166 1.00 0.00 -0.273 OA +ATOM 2272 CA THR A 265 151.952 168.379 220.078 1.00 0.00 0.199 C +ATOM 2273 N THR A 265 153.319 168.594 220.528 1.00 0.00 -0.341 N +ATOM 2274 CB THR A 265 151.318 167.159 220.767 1.00 0.00 0.143 C +ATOM 2275 CG2 THR A 265 152.115 165.900 220.468 1.00 0.00 0.041 C +ATOM 2276 OG1 THR A 265 151.282 167.379 222.183 1.00 0.00 -0.389 OA +ATOM 2277 HG1 THR A 265 150.937 166.716 222.567 1.00 0.00 0.211 HD +ATOM 2278 H THR A 265 153.464 168.348 221.339 1.00 0.00 0.164 HD +ATOM 2279 C VAL A 266 148.416 170.496 221.393 1.00 0.00 0.243 C +ATOM 2280 O VAL A 266 148.128 171.478 222.073 1.00 0.00 -0.272 OA +ATOM 2281 CA VAL A 266 148.931 170.662 219.965 1.00 0.00 0.173 C +ATOM 2282 N VAL A 266 149.945 169.660 219.679 1.00 0.00 -0.343 N +ATOM 2283 CB VAL A 266 147.758 170.565 218.961 1.00 0.00 0.015 C +ATOM 2284 CG1 VAL A 266 146.511 171.298 219.473 1.00 0.00 0.010 C +ATOM 2285 CG2 VAL A 266 148.186 171.112 217.608 1.00 0.00 0.010 C +ATOM 2286 H VAL A 266 149.735 169.127 219.038 1.00 0.00 0.164 HD +ATOM 2287 C LYS A 267 148.721 169.541 224.258 1.00 0.00 0.242 C +ATOM 2288 O LYS A 267 148.259 170.091 225.256 1.00 0.00 -0.273 OA +ATOM 2289 CA LYS A 267 147.799 168.970 223.183 1.00 0.00 0.171 C +ATOM 2290 N LYS A 267 148.303 169.251 221.843 1.00 0.00 -0.344 N +ATOM 2291 CB LYS A 267 147.631 167.463 223.393 1.00 0.00 0.035 C +ATOM 2292 CG LYS A 267 147.087 167.091 224.768 1.00 0.00 0.008 C +ATOM 2293 CD LYS A 267 146.935 165.590 224.932 1.00 0.00 0.061 C +ATOM 2294 CE LYS A 267 146.267 165.244 226.254 1.00 0.00 0.258 C +ATOM 2295 NZ LYS A 267 146.062 163.779 226.412 1.00 0.00 -0.357 N +ATOM 2296 HZ1 LYS A 267 145.671 163.609 227.193 1.00 0.00 0.345 HD +ATOM 2297 HZ2 LYS A 267 145.545 163.472 225.756 1.00 0.00 0.345 HD +ATOM 2298 HZ3 LYS A 267 146.846 163.358 226.383 1.00 0.00 0.345 HD +ATOM 2299 H LYS A 267 148.512 168.549 221.392 1.00 0.00 0.164 HD +ATOM 2300 C ASP A 268 151.256 171.326 225.054 1.00 0.00 0.242 C +ATOM 2301 O ASP A 268 151.642 171.889 226.079 1.00 0.00 -0.273 OA +ATOM 2302 CA ASP A 268 151.002 169.817 225.050 1.00 0.00 0.176 C +ATOM 2303 N ASP A 268 150.025 169.412 224.046 1.00 0.00 -0.343 N +ATOM 2304 CB ASP A 268 152.319 169.072 224.824 1.00 0.00 0.087 C +ATOM 2305 CG ASP A 268 153.313 169.299 225.943 1.00 0.00 0.044 C +ATOM 2306 OD1 ASP A 268 153.178 168.645 226.999 1.00 0.00 -0.548 OA +ATOM 2307 OD2 ASP A 268 154.231 170.127 225.767 1.00 0.00 -0.549 OA +ATOM 2308 H ASP A 268 150.372 169.093 223.327 1.00 0.00 0.164 HD +ATOM 2309 C THR A 269 150.116 174.299 223.837 1.00 0.00 0.245 C +ATOM 2310 O THR A 269 150.222 175.459 224.227 1.00 0.00 -0.273 OA +ATOM 2311 CA THR A 269 151.344 173.399 223.767 1.00 0.00 0.199 C +ATOM 2312 N THR A 269 151.033 171.977 223.915 1.00 0.00 -0.341 N +ATOM 2313 CB THR A 269 152.046 173.680 222.430 1.00 0.00 0.143 C +ATOM 2314 CG2 THR A 269 153.338 172.884 222.325 1.00 0.00 0.041 C +ATOM 2315 OG1 THR A 269 151.173 173.335 221.346 1.00 0.00 -0.389 OA +ATOM 2316 HG1 THR A 269 150.973 172.520 221.386 1.00 0.00 0.211 HD +ATOM 2317 H THR A 269 150.700 171.617 223.209 1.00 0.00 0.164 HD +ATOM 2318 C GLN A 270 147.826 175.529 222.153 1.00 0.00 0.242 C +ATOM 2319 O GLN A 270 147.035 176.466 222.066 1.00 0.00 -0.273 OA +ATOM 2320 CA GLN A 270 147.724 174.531 223.306 1.00 0.00 0.171 C +ATOM 2321 N GLN A 270 148.962 173.760 223.450 1.00 0.00 -0.343 N +ATOM 2322 CB GLN A 270 147.361 175.263 224.606 1.00 0.00 0.045 C +ATOM 2323 CG GLN A 270 147.124 174.340 225.782 1.00 0.00 0.102 C +ATOM 2324 CD GLN A 270 145.896 173.477 225.592 1.00 0.00 0.217 C +ATOM 2325 OE1 GLN A 270 145.997 172.292 225.267 1.00 0.00 -0.275 OA +ATOM 2326 NE2 GLN A 270 144.725 174.068 225.788 1.00 0.00 -0.368 N +ATOM 2327 HE22 GLN A 270 144.694 174.898 226.010 1.00 0.00 0.159 HD +ATOM 2328 HE21 GLN A 270 143.996 173.621 225.692 1.00 0.00 0.159 HD +ATOM 2329 H GLN A 270 148.867 172.926 223.261 1.00 0.00 0.164 HD +ATOM 2330 C ALA A 271 148.111 175.558 218.935 1.00 0.00 0.243 C +ATOM 2331 O ALA A 271 148.329 174.423 218.515 1.00 0.00 -0.272 OA +ATOM 2332 CA ALA A 271 148.944 176.136 220.073 1.00 0.00 0.168 C +ATOM 2333 N ALA A 271 148.796 175.315 221.268 1.00 0.00 -0.344 N +ATOM 2334 CB ALA A 271 150.405 176.228 219.669 1.00 0.00 0.041 C +ATOM 2335 H ALA A 271 149.386 174.694 221.339 1.00 0.00 0.164 HD +ATOM 2336 C GLU A 272 147.010 175.537 216.102 1.00 0.00 0.242 C +ATOM 2337 O GLU A 272 147.928 176.244 215.688 1.00 0.00 -0.273 OA +ATOM 2338 CA GLU A 272 146.262 175.894 217.380 1.00 0.00 0.171 C +ATOM 2339 N GLU A 272 147.156 176.341 218.444 1.00 0.00 -0.344 N +ATOM 2340 CB GLU A 272 145.222 176.973 217.067 1.00 0.00 0.041 C +ATOM 2341 CG GLU A 272 144.004 176.961 217.974 1.00 0.00 0.055 C +ATOM 2342 CD GLU A 272 142.935 177.937 217.522 1.00 0.00 0.041 C +ATOM 2343 OE1 GLU A 272 143.179 178.681 216.549 1.00 0.00 -0.548 OA +ATOM 2344 OE2 GLU A 272 141.850 177.957 218.138 1.00 0.00 -0.549 OA +ATOM 2345 H GLU A 272 147.004 177.144 218.712 1.00 0.00 0.164 HD +ATOM 2346 C MET A 273 145.874 173.730 213.285 1.00 0.00 0.242 C +ATOM 2347 O MET A 273 144.772 173.523 213.786 1.00 0.00 -0.272 OA +ATOM 2348 CA MET A 273 147.074 174.043 214.166 1.00 0.00 0.172 C +ATOM 2349 N MET A 273 146.602 174.431 215.487 1.00 0.00 -0.344 N +ATOM 2350 CB MET A 273 147.995 172.825 214.242 1.00 0.00 0.046 C +ATOM 2351 CG MET A 273 149.313 173.071 214.956 1.00 0.00 0.072 C +ATOM 2352 SD MET A 273 150.425 174.165 214.052 1.00 0.00 -0.165 SA +ATOM 2353 CE MET A 273 150.838 173.176 212.618 1.00 0.00 0.085 C +ATOM 2354 H MET A 273 146.039 173.876 215.826 1.00 0.00 0.164 HD +ATOM 2355 C ILE A 274 145.257 171.779 210.736 1.00 0.00 0.243 C +ATOM 2356 O ILE A 274 146.179 171.400 210.014 1.00 0.00 -0.272 OA +ATOM 2357 CA ILE A 274 145.062 173.254 211.045 1.00 0.00 0.174 C +ATOM 2358 N ILE A 274 146.089 173.700 211.975 1.00 0.00 -0.343 N +ATOM 2359 CB ILE A 274 145.081 174.053 209.732 1.00 0.00 0.018 C +ATOM 2360 CG2 ILE A 274 143.995 173.550 208.781 1.00 0.00 0.010 C +ATOM 2361 CG1 ILE A 274 144.899 175.548 210.012 1.00 0.00 0.002 C +ATOM 2362 CD1 ILE A 274 143.652 175.890 210.809 1.00 0.00 0.004 C +ATOM 2363 H ILE A 274 146.826 173.934 211.598 1.00 0.00 0.164 HD +ATOM 2364 C TYR A 275 142.941 169.059 210.783 1.00 0.00 0.243 C +ATOM 2365 O TYR A 275 142.029 169.439 211.509 1.00 0.00 -0.272 OA +ATOM 2366 CA TYR A 275 144.367 169.527 211.038 1.00 0.00 0.175 C +ATOM 2367 N TYR A 275 144.378 170.959 211.299 1.00 0.00 -0.343 N +ATOM 2368 CB TYR A 275 144.963 168.755 212.215 1.00 0.00 0.070 C +ATOM 2369 CG TYR A 275 146.470 168.803 212.285 1.00 0.00 -0.045 A +ATOM 2370 CD1 TYR A 275 147.247 168.131 211.352 1.00 0.00 0.007 A +ATOM 2371 CD2 TYR A 275 147.115 169.507 213.291 1.00 0.00 0.007 A +ATOM 2372 CE1 TYR A 275 148.621 168.166 211.413 1.00 0.00 0.046 A +ATOM 2373 CE2 TYR A 275 148.493 169.548 213.359 1.00 0.00 0.046 A +ATOM 2374 CZ TYR A 275 149.240 168.875 212.418 1.00 0.00 0.115 A +ATOM 2375 OH TYR A 275 150.612 168.911 212.477 1.00 0.00 -0.507 OA +ATOM 2376 HH TYR A 275 150.859 169.374 213.133 1.00 0.00 0.294 HD +ATOM 2377 H TYR A 275 143.765 171.214 211.847 1.00 0.00 0.164 HD +ATOM 2378 C PRO A 276 141.078 166.704 210.715 1.00 0.00 0.243 C +ATOM 2379 O PRO A 276 142.008 166.185 211.328 1.00 0.00 -0.271 OA +ATOM 2380 CA PRO A 276 141.390 167.684 209.585 1.00 0.00 0.175 C +ATOM 2381 N PRO A 276 142.736 168.239 209.742 1.00 0.00 -0.329 N +ATOM 2382 CB PRO A 276 141.449 166.988 208.224 1.00 0.00 0.037 C +ATOM 2383 CG PRO A 276 142.887 166.706 207.997 1.00 0.00 0.024 C +ATOM 2384 CD PRO A 276 143.634 167.825 208.650 1.00 0.00 0.121 C +ATOM 2385 C PRO A 277 139.998 164.283 212.281 1.00 0.00 0.243 C +ATOM 2386 O PRO A 277 140.053 163.743 213.387 1.00 0.00 -0.271 OA +ATOM 2387 CA PRO A 277 139.353 165.667 212.150 1.00 0.00 0.175 C +ATOM 2388 N PRO A 277 139.787 166.451 210.985 1.00 0.00 -0.329 N +ATOM 2389 CB PRO A 277 137.843 165.524 211.925 1.00 0.00 0.037 C +ATOM 2390 CG PRO A 277 137.473 166.666 211.059 1.00 0.00 0.024 C +ATOM 2391 CD PRO A 277 138.645 166.907 210.173 1.00 0.00 0.121 C +ATOM 2392 C GLN A 278 142.324 162.233 211.897 1.00 0.00 0.242 C +ATOM 2393 O GLN A 278 142.627 161.200 212.497 1.00 0.00 -0.273 OA +ATOM 2394 CA GLN A 278 140.983 162.350 211.183 1.00 0.00 0.171 C +ATOM 2395 N GLN A 278 140.481 163.721 211.179 1.00 0.00 -0.343 N +ATOM 2396 CB GLN A 278 141.123 161.821 209.754 1.00 0.00 0.045 C +ATOM 2397 CG GLN A 278 139.902 162.048 208.876 1.00 0.00 0.102 C +ATOM 2398 CD GLN A 278 139.937 163.382 208.155 1.00 0.00 0.217 C +ATOM 2399 OE1 GLN A 278 140.957 163.763 207.580 1.00 0.00 -0.275 OA +ATOM 2400 NE2 GLN A 278 138.820 164.100 208.184 1.00 0.00 -0.368 N +ATOM 2401 HE22 GLN A 278 138.128 163.801 208.597 1.00 0.00 0.159 HD +ATOM 2402 HE21 GLN A 278 138.790 164.863 207.790 1.00 0.00 0.159 HD +ATOM 2403 H GLN A 278 140.529 164.111 210.414 1.00 0.00 0.164 HD +ATOM 2404 C VAL A 279 144.409 163.054 213.902 1.00 0.00 0.243 C +ATOM 2405 O VAL A 279 143.812 163.856 214.619 1.00 0.00 -0.272 OA +ATOM 2406 CA VAL A 279 144.473 163.276 212.388 1.00 0.00 0.173 C +ATOM 2407 N VAL A 279 143.126 163.291 211.822 1.00 0.00 -0.343 N +ATOM 2408 CB VAL A 279 145.225 164.590 212.092 1.00 0.00 0.015 C +ATOM 2409 CG1 VAL A 279 146.666 164.509 212.584 1.00 0.00 0.010 C +ATOM 2410 CG2 VAL A 279 145.200 164.895 210.599 1.00 0.00 0.010 C +ATOM 2411 H VAL A 279 142.912 164.035 211.447 1.00 0.00 0.164 HD +ATOM 2412 C PRO A 280 145.808 162.670 216.657 1.00 0.00 0.243 C +ATOM 2413 O PRO A 280 146.705 163.310 216.110 1.00 0.00 -0.271 OA +ATOM 2414 CA PRO A 280 144.961 161.696 215.843 1.00 0.00 0.175 C +ATOM 2415 N PRO A 280 145.019 161.962 214.400 1.00 0.00 -0.329 N +ATOM 2416 CB PRO A 280 145.499 160.268 215.958 1.00 0.00 0.037 C +ATOM 2417 CG PRO A 280 146.376 160.101 214.783 1.00 0.00 0.024 C +ATOM 2418 CD PRO A 280 145.771 160.917 213.682 1.00 0.00 0.121 C +ATOM 2419 C GLU A 281 147.652 163.774 218.765 1.00 0.00 0.242 C +ATOM 2420 O GLU A 281 148.262 164.842 218.687 1.00 0.00 -0.273 OA +ATOM 2421 CA GLU A 281 146.128 163.749 218.839 1.00 0.00 0.171 C +ATOM 2422 N GLU A 281 145.521 162.755 217.955 1.00 0.00 -0.344 N +ATOM 2423 CB GLU A 281 145.707 163.493 220.292 1.00 0.00 0.041 C +ATOM 2424 CG GLU A 281 144.206 163.359 220.518 1.00 0.00 0.055 C +ATOM 2425 CD GLU A 281 143.453 164.645 220.251 1.00 0.00 0.041 C +ATOM 2426 OE1 GLU A 281 143.606 165.599 221.041 1.00 0.00 -0.548 OA +ATOM 2427 OE2 GLU A 281 142.705 164.702 219.251 1.00 0.00 -0.549 OA +ATOM 2428 H GLU A 281 144.966 162.235 218.356 1.00 0.00 0.164 HD +ATOM 2429 C HIS A 282 150.464 162.842 217.643 1.00 0.00 0.242 C +ATOM 2430 O HIS A 282 151.678 163.037 217.669 1.00 0.00 -0.272 OA +ATOM 2431 CA HIS A 282 149.714 162.494 218.928 1.00 0.00 0.177 C +ATOM 2432 N HIS A 282 148.265 162.594 218.790 1.00 0.00 -0.343 N +ATOM 2433 CB HIS A 282 150.100 161.087 219.384 1.00 0.00 0.093 C +ATOM 2434 CG HIS A 282 149.876 160.032 218.347 1.00 0.00 0.061 A +ATOM 2435 ND1 HIS A 282 148.660 159.408 218.169 1.00 0.00 -0.242 NA +ATOM 2436 CD2 HIS A 282 150.714 159.488 217.434 1.00 0.00 0.107 A +ATOM 2437 CE1 HIS A 282 148.759 158.527 217.190 1.00 0.00 0.196 A +ATOM 2438 NE2 HIS A 282 149.996 158.556 216.726 1.00 0.00 -0.350 N +ATOM 2439 HE2 HIS A 282 150.301 158.070 216.086 1.00 0.00 0.167 HD +ATOM 2440 H HIS A 282 147.863 161.836 218.729 1.00 0.00 0.164 HD +ATOM 2441 C LEU A 283 150.089 164.741 214.907 1.00 0.00 0.243 C +ATOM 2442 O LEU A 283 150.580 165.249 213.899 1.00 0.00 -0.272 OA +ATOM 2443 CA LEU A 283 150.350 163.280 215.246 1.00 0.00 0.172 C +ATOM 2444 N LEU A 283 149.748 162.911 216.525 1.00 0.00 -0.345 N +ATOM 2445 CB LEU A 283 149.822 162.387 214.121 1.00 0.00 0.038 C +ATOM 2446 CG LEU A 283 150.316 160.937 214.107 1.00 0.00 -0.015 C +ATOM 2447 CD1 LEU A 283 149.612 160.157 213.012 1.00 0.00 0.007 C +ATOM 2448 CD2 LEU A 283 151.829 160.868 213.922 1.00 0.00 0.007 C +ATOM 2449 H LEU A 283 148.905 162.747 216.480 1.00 0.00 0.165 HD +ATOM 2450 C ARG A 284 150.263 167.639 216.057 1.00 0.00 0.242 C +ATOM 2451 O ARG A 284 150.268 168.139 217.181 1.00 0.00 -0.273 OA +ATOM 2452 CA ARG A 284 149.065 166.837 215.563 1.00 0.00 0.171 C +ATOM 2453 N ARG A 284 149.313 165.415 215.746 1.00 0.00 -0.344 N +ATOM 2454 CB ARG A 284 147.791 167.260 216.297 1.00 0.00 0.038 C +ATOM 2455 CG ARG A 284 146.524 166.666 215.702 1.00 0.00 0.040 C +ATOM 2456 CD ARG A 284 145.309 166.909 216.582 1.00 0.00 0.197 C +ATOM 2457 NE ARG A 284 144.128 166.206 216.081 1.00 0.00 -0.278 N +ATOM 2458 HE ARG A 284 144.046 165.374 216.284 1.00 0.00 0.260 HD +ATOM 2459 CZ ARG A 284 143.169 166.751 215.336 1.00 0.00 0.339 C +ATOM 2460 NH1 ARG A 284 143.220 168.031 214.990 1.00 0.00 -0.290 N +ATOM 2461 NH2 ARG A 284 142.145 166.010 214.936 1.00 0.00 -0.290 N +ATOM 2462 HH12 ARG A 284 143.881 168.519 215.244 1.00 0.00 0.256 HD +ATOM 2463 HH11 ARG A 284 142.593 168.371 214.510 1.00 0.00 0.256 HD +ATOM 2464 HH22 ARG A 284 142.102 165.180 215.157 1.00 0.00 0.256 HD +ATOM 2465 HH21 ARG A 284 141.522 166.360 214.457 1.00 0.00 0.256 HD +ATOM 2466 H ARG A 284 148.918 165.072 216.429 1.00 0.00 0.164 HD +ATOM 2467 C PHE A 285 152.185 170.001 215.499 1.00 0.00 0.243 C +ATOM 2468 O PHE A 285 151.469 170.476 214.621 1.00 0.00 -0.272 OA +ATOM 2469 CA PHE A 285 152.481 168.507 215.539 1.00 0.00 0.175 C +ATOM 2470 N PHE A 285 151.285 167.742 215.212 1.00 0.00 -0.343 N +ATOM 2471 CB PHE A 285 153.622 168.177 214.571 1.00 0.00 0.070 C +ATOM 2472 CG PHE A 285 154.171 166.784 214.716 1.00 0.00 -0.045 A +ATOM 2473 CD1 PHE A 285 154.230 166.166 215.951 1.00 0.00 0.004 A +ATOM 2474 CD2 PHE A 285 154.636 166.097 213.610 1.00 0.00 0.004 A +ATOM 2475 CE1 PHE A 285 154.738 164.890 216.078 1.00 0.00 0.000 A +ATOM 2476 CE2 PHE A 285 155.144 164.820 213.735 1.00 0.00 0.000 A +ATOM 2477 CZ PHE A 285 155.195 164.218 214.970 1.00 0.00 0.000 A +ATOM 2478 H PHE A 285 151.308 167.373 214.436 1.00 0.00 0.164 HD +ATOM 2479 C ALA A 286 153.796 172.946 216.292 1.00 0.00 0.243 C +ATOM 2480 O ALA A 286 154.830 172.717 216.917 1.00 0.00 -0.272 OA +ATOM 2481 CA ALA A 286 152.521 172.161 216.577 1.00 0.00 0.168 C +ATOM 2482 N ALA A 286 152.752 170.729 216.454 1.00 0.00 -0.344 N +ATOM 2483 CB ALA A 286 151.998 172.488 217.962 1.00 0.00 0.041 C +ATOM 2484 H ALA A 286 153.282 170.411 217.052 1.00 0.00 0.164 HD +ATOM 2485 C VAL A 287 154.344 176.159 214.769 1.00 0.00 0.243 C +ATOM 2486 O VAL A 287 153.147 176.428 214.860 1.00 0.00 -0.272 OA +ATOM 2487 CA VAL A 287 154.835 174.733 214.991 1.00 0.00 0.173 C +ATOM 2488 N VAL A 287 153.713 173.866 215.336 1.00 0.00 -0.343 N +ATOM 2489 CB VAL A 287 155.578 174.234 213.732 1.00 0.00 0.015 C +ATOM 2490 CG1 VAL A 287 156.156 172.850 213.979 1.00 0.00 0.010 C +ATOM 2491 CG2 VAL A 287 154.654 174.226 212.522 1.00 0.00 0.010 C +ATOM 2492 H VAL A 287 153.007 174.010 214.866 1.00 0.00 0.164 HD +ATOM 2493 C GLY A 288 153.849 178.777 213.371 1.00 0.00 0.239 C +ATOM 2494 O GLY A 288 152.935 179.536 213.683 1.00 0.00 -0.273 OA +ATOM 2495 CA GLY A 288 154.967 178.476 214.352 1.00 0.00 0.216 C +ATOM 2496 N GLY A 288 155.275 177.063 214.481 1.00 0.00 -0.346 N +ATOM 2497 H GLY A 288 156.105 176.876 214.354 1.00 0.00 0.164 HD +ATOM 2498 C GLN A 289 151.760 177.433 211.253 1.00 0.00 0.242 C +ATOM 2499 O GLN A 289 151.933 176.216 211.174 1.00 0.00 -0.273 OA +ATOM 2500 CA GLN A 289 152.936 178.404 211.140 1.00 0.00 0.171 C +ATOM 2501 N GLN A 289 153.924 178.175 212.189 1.00 0.00 -0.343 N +ATOM 2502 CB GLN A 289 153.593 178.279 209.766 1.00 0.00 0.045 C +ATOM 2503 CG GLN A 289 153.469 179.526 208.904 1.00 0.00 0.102 C +ATOM 2504 CD GLN A 289 152.087 179.688 208.302 1.00 0.00 0.217 C +ATOM 2505 OE1 GLN A 289 151.098 179.195 208.846 1.00 0.00 -0.275 OA +ATOM 2506 NE2 GLN A 289 152.013 180.379 207.168 1.00 0.00 -0.368 N +ATOM 2507 HE22 GLN A 289 152.726 180.706 206.816 1.00 0.00 0.159 HD +ATOM 2508 HE21 GLN A 289 151.251 180.499 206.786 1.00 0.00 0.159 HD +ATOM 2509 H GLN A 289 154.544 177.622 211.967 1.00 0.00 0.164 HD +ATOM 2510 C GLU A 290 149.095 176.140 210.564 1.00 0.00 0.242 C +ATOM 2511 O GLU A 290 148.443 175.134 210.840 1.00 0.00 -0.273 OA +ATOM 2512 CA GLU A 290 149.343 177.213 211.626 1.00 0.00 0.171 C +ATOM 2513 N GLU A 290 150.566 177.993 211.424 1.00 0.00 -0.344 N +ATOM 2514 CB GLU A 290 148.129 178.151 211.670 1.00 0.00 0.041 C +ATOM 2515 CG GLU A 290 147.917 178.863 213.005 1.00 0.00 0.055 C +ATOM 2516 CD GLU A 290 148.664 180.184 213.119 1.00 0.00 0.041 C +ATOM 2517 OE1 GLU A 290 149.511 180.482 212.249 1.00 0.00 -0.548 OA +ATOM 2518 OE2 GLU A 290 148.394 180.930 214.085 1.00 0.00 -0.549 OA +ATOM 2519 H GLU A 290 150.433 178.842 211.428 1.00 0.00 0.164 HD +ATOM 2520 C VAL A 291 150.280 174.462 207.824 1.00 0.00 0.243 C +ATOM 2521 O VAL A 291 150.089 173.740 206.846 1.00 0.00 -0.272 OA +ATOM 2522 CA VAL A 291 149.248 175.522 208.209 1.00 0.00 0.173 C +ATOM 2523 N VAL A 291 149.619 176.348 209.358 1.00 0.00 -0.343 N +ATOM 2524 CB VAL A 291 148.990 176.399 206.963 1.00 0.00 0.015 C +ATOM 2525 CG1 VAL A 291 147.987 177.496 207.284 1.00 0.00 0.010 C +ATOM 2526 CG2 VAL A 291 150.291 177.002 206.440 1.00 0.00 0.010 C +ATOM 2527 H VAL A 291 150.193 176.962 209.178 1.00 0.00 0.164 HD +ATOM 2528 C PHE A 292 152.220 172.013 208.409 1.00 0.00 0.243 C +ATOM 2529 O PHE A 292 153.067 171.176 208.095 1.00 0.00 -0.272 OA +ATOM 2530 CA PHE A 292 152.480 173.500 208.177 1.00 0.00 0.175 C +ATOM 2531 N PHE A 292 151.368 174.360 208.578 1.00 0.00 -0.343 N +ATOM 2532 CB PHE A 292 153.760 173.924 208.903 1.00 0.00 0.070 C +ATOM 2533 CG PHE A 292 154.453 175.111 208.280 1.00 0.00 -0.045 A +ATOM 2534 CD1 PHE A 292 153.873 175.816 207.235 1.00 0.00 0.004 A +ATOM 2535 CD2 PHE A 292 155.697 175.514 208.734 1.00 0.00 0.004 A +ATOM 2536 CE1 PHE A 292 154.515 176.895 206.666 1.00 0.00 0.000 A +ATOM 2537 CE2 PHE A 292 156.342 176.594 208.168 1.00 0.00 0.000 A +ATOM 2538 CZ PHE A 292 155.752 177.284 207.133 1.00 0.00 0.000 A +ATOM 2539 H PHE A 292 151.489 174.774 209.321 1.00 0.00 0.164 HD +ATOM 2540 C GLY A 293 150.191 169.781 207.638 1.00 0.00 0.239 C +ATOM 2541 O GLY A 293 150.082 168.574 207.431 1.00 0.00 -0.273 OA +ATOM 2542 CA GLY A 293 150.628 170.293 209.002 1.00 0.00 0.216 C +ATOM 2543 N GLY A 293 151.045 171.680 208.931 1.00 0.00 -0.346 N +ATOM 2544 H GLY A 293 150.475 172.239 209.249 1.00 0.00 0.164 HD +ATOM 2545 C LEU A 294 150.233 169.263 204.691 1.00 0.00 0.243 C +ATOM 2546 O LEU A 294 149.622 168.319 204.193 1.00 0.00 -0.272 OA +ATOM 2547 CA LEU A 294 149.464 170.393 205.366 1.00 0.00 0.172 C +ATOM 2548 N LEU A 294 149.946 170.706 206.711 1.00 0.00 -0.345 N +ATOM 2549 CB LEU A 294 149.526 171.645 204.487 1.00 0.00 0.038 C +ATOM 2550 CG LEU A 294 149.059 171.524 203.031 1.00 0.00 -0.015 C +ATOM 2551 CD1 LEU A 294 147.562 171.267 202.938 1.00 0.00 0.007 C +ATOM 2552 CD2 LEU A 294 149.437 172.775 202.252 1.00 0.00 0.007 C +ATOM 2553 H LEU A 294 150.056 171.549 206.843 1.00 0.00 0.165 HD +ATOM 2554 C VAL A 295 153.622 167.977 204.866 1.00 0.00 0.243 C +ATOM 2555 O VAL A 295 154.223 168.862 205.468 1.00 0.00 -0.272 OA +ATOM 2556 CA VAL A 295 152.372 168.308 204.052 1.00 0.00 0.173 C +ATOM 2557 N VAL A 295 151.560 169.351 204.676 1.00 0.00 -0.343 N +ATOM 2558 CB VAL A 295 152.806 168.703 202.629 1.00 0.00 0.015 C +ATOM 2559 CG1 VAL A 295 151.622 168.658 201.689 1.00 0.00 0.010 C +ATOM 2560 CG2 VAL A 295 153.445 170.080 202.623 1.00 0.00 0.010 C +ATOM 2561 H VAL A 295 152.013 169.999 205.016 1.00 0.00 0.164 HD +ATOM 2562 C PRO A 296 156.497 166.954 205.202 1.00 0.00 0.243 C +ATOM 2563 O PRO A 296 157.444 167.028 205.986 1.00 0.00 -0.271 OA +ATOM 2564 CA PRO A 296 155.212 166.250 205.628 1.00 0.00 0.175 C +ATOM 2565 N PRO A 296 154.025 166.693 204.881 1.00 0.00 -0.329 N +ATOM 2566 CB PRO A 296 155.288 164.755 205.302 1.00 0.00 0.037 C +ATOM 2567 CG PRO A 296 153.917 164.382 204.913 1.00 0.00 0.024 C +ATOM 2568 CD PRO A 296 153.352 165.560 204.222 1.00 0.00 0.121 C +ATOM 2569 C GLY A 297 157.897 169.474 204.217 1.00 0.00 0.239 C +ATOM 2570 O GLY A 297 159.032 169.866 204.487 1.00 0.00 -0.273 OA +ATOM 2571 CA GLY A 297 157.680 168.176 203.465 1.00 0.00 0.216 C +ATOM 2572 N GLY A 297 156.529 167.451 203.969 1.00 0.00 -0.346 N +ATOM 2573 H GLY A 297 155.886 167.379 203.402 1.00 0.00 0.164 HD +ATOM 2574 C LEU A 298 157.307 171.044 206.770 1.00 0.00 0.243 C +ATOM 2575 O LEU A 298 158.178 171.712 207.329 1.00 0.00 -0.272 OA +ATOM 2576 CA LEU A 298 156.868 171.363 205.354 1.00 0.00 0.172 C +ATOM 2577 N LEU A 298 156.803 170.147 204.555 1.00 0.00 -0.345 N +ATOM 2578 CB LEU A 298 155.514 172.069 205.382 1.00 0.00 0.038 C +ATOM 2579 CG LEU A 298 155.085 172.754 204.087 1.00 0.00 -0.015 C +ATOM 2580 CD1 LEU A 298 153.645 173.211 204.195 1.00 0.00 0.007 C +ATOM 2581 CD2 LEU A 298 155.999 173.926 203.785 1.00 0.00 0.007 C +ATOM 2582 H LEU A 298 156.005 169.918 204.332 1.00 0.00 0.165 HD +ATOM 2583 C MET A 299 158.388 169.106 208.847 1.00 0.00 0.242 C +ATOM 2584 O MET A 299 158.971 169.160 209.928 1.00 0.00 -0.272 OA +ATOM 2585 CA MET A 299 156.956 169.614 208.711 1.00 0.00 0.172 C +ATOM 2586 N MET A 299 156.690 170.015 207.340 1.00 0.00 -0.344 N +ATOM 2587 CB MET A 299 155.951 168.544 209.152 1.00 0.00 0.046 C +ATOM 2588 CG MET A 299 155.941 168.246 210.645 1.00 0.00 0.072 C +ATOM 2589 SD MET A 299 155.616 169.671 211.707 1.00 0.00 -0.165 SA +ATOM 2590 CE MET A 299 154.061 170.265 211.059 1.00 0.00 0.085 C +ATOM 2591 H MET A 299 156.103 169.527 206.944 1.00 0.00 0.164 HD +ATOM 2592 C MET A 300 161.252 169.397 208.024 1.00 0.00 0.242 C +ATOM 2593 O MET A 300 162.116 169.326 208.898 1.00 0.00 -0.272 OA +ATOM 2594 CA MET A 300 160.352 168.207 207.722 1.00 0.00 0.172 C +ATOM 2595 N MET A 300 158.951 168.615 207.746 1.00 0.00 -0.344 N +ATOM 2596 CB MET A 300 160.728 167.607 206.365 1.00 0.00 0.046 C +ATOM 2597 CG MET A 300 162.186 167.144 206.268 1.00 0.00 0.072 C +ATOM 2598 SD MET A 300 162.758 166.926 204.571 1.00 0.00 -0.165 SA +ATOM 2599 CE MET A 300 162.833 168.627 204.014 1.00 0.00 0.085 C +ATOM 2600 H MET A 300 158.541 168.508 206.998 1.00 0.00 0.164 HD +ATOM 2601 C TYR A 301 161.546 172.352 208.830 1.00 0.00 0.243 C +ATOM 2602 O TYR A 301 162.438 172.922 209.455 1.00 0.00 -0.272 OA +ATOM 2603 CA TYR A 301 161.842 171.698 207.488 1.00 0.00 0.175 C +ATOM 2604 N TYR A 301 161.049 170.489 207.291 1.00 0.00 -0.343 N +ATOM 2605 CB TYR A 301 161.596 172.695 206.356 1.00 0.00 0.070 C +ATOM 2606 CG TYR A 301 162.479 172.469 205.155 1.00 0.00 -0.045 A +ATOM 2607 CD1 TYR A 301 163.853 172.641 205.245 1.00 0.00 0.007 A +ATOM 2608 CD2 TYR A 301 161.943 172.085 203.934 1.00 0.00 0.007 A +ATOM 2609 CE1 TYR A 301 164.668 172.434 204.155 1.00 0.00 0.046 A +ATOM 2610 CE2 TYR A 301 162.754 171.878 202.835 1.00 0.00 0.046 A +ATOM 2611 CZ TYR A 301 164.115 172.054 202.951 1.00 0.00 0.115 A +ATOM 2612 OH TYR A 301 164.929 171.849 201.864 1.00 0.00 -0.507 OA +ATOM 2613 HH TYR A 301 164.469 171.623 201.199 1.00 0.00 0.294 HD +ATOM 2614 H TYR A 301 160.456 170.555 206.671 1.00 0.00 0.164 HD +ATOM 2615 C ALA A 302 160.695 172.052 211.674 1.00 0.00 0.243 C +ATOM 2616 O ALA A 302 161.141 172.666 212.641 1.00 0.00 -0.272 OA +ATOM 2617 CA ALA A 302 159.911 172.773 210.582 1.00 0.00 0.168 C +ATOM 2618 N ALA A 302 160.294 172.272 209.269 1.00 0.00 -0.344 N +ATOM 2619 CB ALA A 302 158.418 172.605 210.803 1.00 0.00 0.041 C +ATOM 2620 H ALA A 302 159.645 171.929 208.821 1.00 0.00 0.164 HD +ATOM 2621 C THR A 303 163.086 170.257 212.439 1.00 0.00 0.245 C +ATOM 2622 O THR A 303 163.715 170.361 213.489 1.00 0.00 -0.273 OA +ATOM 2623 CA THR A 303 161.598 169.921 212.453 1.00 0.00 0.199 C +ATOM 2624 N THR A 303 160.859 170.744 211.503 1.00 0.00 -0.341 N +ATOM 2625 CB THR A 303 161.420 168.419 212.146 1.00 0.00 0.143 C +ATOM 2626 CG2 THR A 303 162.229 167.557 213.112 1.00 0.00 0.041 C +ATOM 2627 OG1 THR A 303 160.036 168.068 212.251 1.00 0.00 -0.389 OA +ATOM 2628 HG1 THR A 303 159.583 168.516 211.703 1.00 0.00 0.211 HD +ATOM 2629 H THR A 303 160.547 170.304 210.834 1.00 0.00 0.164 HD +ATOM 2630 C ILE A 304 165.413 172.056 211.729 1.00 0.00 0.243 C +ATOM 2631 O ILE A 304 166.431 172.183 212.408 1.00 0.00 -0.272 OA +ATOM 2632 CA ILE A 304 165.063 170.712 211.097 1.00 0.00 0.174 C +ATOM 2633 N ILE A 304 163.644 170.416 211.246 1.00 0.00 -0.343 N +ATOM 2634 CB ILE A 304 165.474 170.699 209.606 1.00 0.00 0.018 C +ATOM 2635 CG2 ILE A 304 166.878 171.285 209.410 1.00 0.00 0.010 C +ATOM 2636 CG1 ILE A 304 165.425 169.265 209.070 1.00 0.00 0.002 C +ATOM 2637 CD1 ILE A 304 165.532 169.154 207.565 1.00 0.00 0.004 C +ATOM 2638 H ILE A 304 163.219 170.358 210.500 1.00 0.00 0.164 HD +ATOM 2639 C TRP A 305 164.610 174.439 213.565 1.00 0.00 0.242 C +ATOM 2640 O TRP A 305 165.304 175.176 214.263 1.00 0.00 -0.272 OA +ATOM 2641 CA TRP A 305 164.821 174.391 212.055 1.00 0.00 0.175 C +ATOM 2642 N TRP A 305 164.568 173.058 211.513 1.00 0.00 -0.343 N +ATOM 2643 CB TRP A 305 163.932 175.429 211.373 1.00 0.00 0.072 C +ATOM 2644 CG TRP A 305 164.435 175.854 210.032 1.00 0.00 -0.020 A +ATOM 2645 CD1 TRP A 305 163.873 175.581 208.823 1.00 0.00 0.087 A +ATOM 2646 CD2 TRP A 305 165.610 176.626 209.762 1.00 0.00 0.003 A +ATOM 2647 NE1 TRP A 305 164.622 176.136 207.815 1.00 0.00 -0.359 N +ATOM 2648 CE2 TRP A 305 165.696 176.784 208.367 1.00 0.00 0.046 A +ATOM 2649 CE3 TRP A 305 166.599 177.199 210.566 1.00 0.00 0.010 A +ATOM 2650 HE1 TRP A 305 164.446 176.086 206.975 1.00 0.00 0.166 HD +ATOM 2651 CZ2 TRP A 305 166.728 177.492 207.760 1.00 0.00 0.026 A +ATOM 2652 CZ3 TRP A 305 167.622 177.901 209.963 1.00 0.00 0.001 A +ATOM 2653 CH2 TRP A 305 167.678 178.041 208.574 1.00 0.00 0.002 A +ATOM 2654 H TRP A 305 163.842 172.994 211.056 1.00 0.00 0.164 HD +ATOM 2655 C LEU A 306 164.679 172.954 216.163 1.00 0.00 0.243 C +ATOM 2656 O LEU A 306 165.112 173.399 217.225 1.00 0.00 -0.272 OA +ATOM 2657 CA LEU A 306 163.446 173.555 215.505 1.00 0.00 0.172 C +ATOM 2658 N LEU A 306 163.655 173.662 214.066 1.00 0.00 -0.345 N +ATOM 2659 CB LEU A 306 162.217 172.703 215.820 1.00 0.00 0.038 C +ATOM 2660 CG LEU A 306 161.913 172.512 217.309 1.00 0.00 -0.015 C +ATOM 2661 CD1 LEU A 306 161.408 173.800 217.919 1.00 0.00 0.007 C +ATOM 2662 CD2 LEU A 306 160.911 171.397 217.522 1.00 0.00 0.007 C +ATOM 2663 H LEU A 306 163.116 173.187 213.594 1.00 0.00 0.165 HD +ATOM 2664 C ARG A 307 167.602 172.323 215.983 1.00 0.00 0.242 C +ATOM 2665 O ARG A 307 168.379 172.407 216.930 1.00 0.00 -0.273 OA +ATOM 2666 CA ARG A 307 166.464 171.314 215.996 1.00 0.00 0.171 C +ATOM 2667 N ARG A 307 165.235 171.930 215.525 1.00 0.00 -0.344 N +ATOM 2668 CB ARG A 307 166.824 170.103 215.137 1.00 0.00 0.038 C +ATOM 2669 CG ARG A 307 165.924 168.900 215.353 1.00 0.00 0.040 C +ATOM 2670 CD ARG A 307 166.252 167.800 214.370 1.00 0.00 0.197 C +ATOM 2671 NE ARG A 307 165.309 166.691 214.442 1.00 0.00 -0.278 N +ATOM 2672 HE ARG A 307 164.602 166.795 214.921 1.00 0.00 0.260 HD +ATOM 2673 CZ ARG A 307 165.442 165.554 213.769 1.00 0.00 0.339 C +ATOM 2674 NH1 ARG A 307 166.485 165.368 212.970 1.00 0.00 -0.290 N +ATOM 2675 NH2 ARG A 307 164.532 164.598 213.895 1.00 0.00 -0.290 N +ATOM 2676 HH12 ARG A 307 167.077 165.986 212.886 1.00 0.00 0.256 HD +ATOM 2677 HH11 ARG A 307 166.569 164.630 212.536 1.00 0.00 0.256 HD +ATOM 2678 HH22 ARG A 307 163.854 164.715 214.413 1.00 0.00 0.256 HD +ATOM 2679 HH21 ARG A 307 164.618 163.861 213.460 1.00 0.00 0.256 HD +ATOM 2680 H ARG A 307 164.916 171.573 214.811 1.00 0.00 0.164 HD +ATOM 2681 C GLU A 308 168.624 175.132 215.902 1.00 0.00 0.242 C +ATOM 2682 O GLU A 308 169.632 175.551 216.467 1.00 0.00 -0.273 OA +ATOM 2683 CA GLU A 308 168.739 174.098 214.789 1.00 0.00 0.171 C +ATOM 2684 N GLU A 308 167.693 173.094 214.905 1.00 0.00 -0.344 N +ATOM 2685 CB GLU A 308 168.686 174.782 213.420 1.00 0.00 0.041 C +ATOM 2686 CG GLU A 308 169.727 175.883 213.224 1.00 0.00 0.055 C +ATOM 2687 CD GLU A 308 171.150 175.394 213.394 1.00 0.00 0.041 C +ATOM 2688 OE1 GLU A 308 171.380 174.169 213.320 1.00 0.00 -0.548 OA +ATOM 2689 OE2 GLU A 308 172.043 176.239 213.600 1.00 0.00 -0.549 OA +ATOM 2690 H GLU A 308 167.162 173.055 214.230 1.00 0.00 0.164 HD +ATOM 2691 C HIS A 309 167.752 176.009 218.622 1.00 0.00 0.242 C +ATOM 2692 O HIS A 309 168.460 176.733 219.322 1.00 0.00 -0.272 OA +ATOM 2693 CA HIS A 309 167.199 176.508 217.292 1.00 0.00 0.177 C +ATOM 2694 N HIS A 309 167.399 175.533 216.230 1.00 0.00 -0.343 N +ATOM 2695 CB HIS A 309 165.721 176.850 217.469 1.00 0.00 0.093 C +ATOM 2696 CG HIS A 309 165.467 177.768 218.621 1.00 0.00 0.061 A +ATOM 2697 ND1 HIS A 309 165.527 179.139 218.506 1.00 0.00 -0.242 NA +ATOM 2698 CD2 HIS A 309 165.210 177.510 219.924 1.00 0.00 0.107 A +ATOM 2699 CE1 HIS A 309 165.291 179.687 219.684 1.00 0.00 0.196 A +ATOM 2700 NE2 HIS A 309 165.095 178.720 220.561 1.00 0.00 -0.350 N +ATOM 2701 HE2 HIS A 309 164.922 178.830 221.396 1.00 0.00 0.167 HD +ATOM 2702 H HIS A 309 166.675 175.257 215.856 1.00 0.00 0.164 HD +ATOM 2703 C ASN A 310 169.327 173.834 220.236 1.00 0.00 0.242 C +ATOM 2704 O ASN A 310 169.955 173.760 221.291 1.00 0.00 -0.273 OA +ATOM 2705 CA ASN A 310 167.848 174.203 220.241 1.00 0.00 0.180 C +ATOM 2706 N ASN A 310 167.422 174.770 218.970 1.00 0.00 -0.342 N +ATOM 2707 CB ASN A 310 166.997 172.982 220.587 1.00 0.00 0.134 C +ATOM 2708 CG ASN A 310 165.576 173.354 220.967 1.00 0.00 0.220 C +ATOM 2709 OD1 ASN A 310 165.296 174.498 221.321 1.00 0.00 -0.275 OA +ATOM 2710 ND2 ASN A 310 164.671 172.386 220.901 1.00 0.00 -0.368 N +ATOM 2711 HD22 ASN A 310 163.851 172.548 221.106 1.00 0.00 0.159 HD +ATOM 2712 HD21 ASN A 310 164.903 171.596 220.652 1.00 0.00 0.159 HD +ATOM 2713 H ASN A 310 166.950 174.238 218.486 1.00 0.00 0.164 HD +ATOM 2714 C ARG A 311 172.067 174.701 219.215 1.00 0.00 0.242 C +ATOM 2715 O ARG A 311 173.056 174.708 219.944 1.00 0.00 -0.273 OA +ATOM 2716 CA ARG A 311 171.320 173.400 218.921 1.00 0.00 0.171 C +ATOM 2717 N ARG A 311 169.885 173.613 219.052 1.00 0.00 -0.344 N +ATOM 2718 CB ARG A 311 171.671 172.892 217.522 1.00 0.00 0.038 C +ATOM 2719 CG ARG A 311 173.101 172.387 217.384 1.00 0.00 0.040 C +ATOM 2720 CD ARG A 311 173.481 172.162 215.927 1.00 0.00 0.197 C +ATOM 2721 NE ARG A 311 173.587 173.425 215.200 1.00 0.00 -0.278 N +ATOM 2722 HE ARG A 311 172.889 173.704 214.781 1.00 0.00 0.260 HD +ATOM 2723 CZ ARG A 311 174.684 174.174 215.140 1.00 0.00 0.339 C +ATOM 2724 NH1 ARG A 311 174.673 175.310 214.456 1.00 0.00 -0.290 N +ATOM 2725 NH2 ARG A 311 175.795 173.794 215.760 1.00 0.00 -0.290 N +ATOM 2726 HH12 ARG A 311 173.957 175.561 214.051 1.00 0.00 0.256 HD +ATOM 2727 HH11 ARG A 311 175.383 175.794 214.414 1.00 0.00 0.256 HD +ATOM 2728 HH22 ARG A 311 175.808 173.059 216.207 1.00 0.00 0.256 HD +ATOM 2729 HH21 ARG A 311 176.501 174.283 215.716 1.00 0.00 0.256 HD +ATOM 2730 H ARG A 311 169.454 173.582 218.308 1.00 0.00 0.164 HD +ATOM 2731 C VAL A 312 172.091 177.516 220.314 1.00 0.00 0.243 C +ATOM 2732 O VAL A 312 173.006 178.129 220.862 1.00 0.00 -0.272 OA +ATOM 2733 CA VAL A 312 172.205 177.105 218.852 1.00 0.00 0.173 C +ATOM 2734 N VAL A 312 171.585 175.801 218.644 1.00 0.00 -0.343 N +ATOM 2735 CB VAL A 312 171.570 178.185 217.947 1.00 0.00 0.015 C +ATOM 2736 CG1 VAL A 312 172.044 179.587 218.339 1.00 0.00 0.010 C +ATOM 2737 CG2 VAL A 312 171.900 177.907 216.491 1.00 0.00 0.010 C +ATOM 2738 H VAL A 312 170.896 175.819 218.130 1.00 0.00 0.164 HD +ATOM 2739 C CYS A 313 171.936 176.769 223.156 1.00 0.00 0.243 C +ATOM 2740 O CYS A 313 172.524 177.396 224.037 1.00 0.00 -0.272 OA +ATOM 2741 CA CYS A 313 170.797 177.417 222.368 1.00 0.00 0.181 C +ATOM 2742 N CYS A 313 170.968 177.183 220.940 1.00 0.00 -0.342 N +ATOM 2743 CB CYS A 313 169.449 176.876 222.849 1.00 0.00 0.101 C +ATOM 2744 SG CYS A 313 168.038 177.974 222.556 1.00 0.00 -0.177 SA +ATOM 2745 HG CYS A 313 167.936 178.173 221.377 1.00 0.00 0.102 HD +ATOM 2746 H CYS A 313 170.288 176.820 220.559 1.00 0.00 0.164 HD +ATOM 2747 C ASP A 314 174.670 175.479 223.290 1.00 0.00 0.242 C +ATOM 2748 O ASP A 314 175.466 175.584 224.223 1.00 0.00 -0.273 OA +ATOM 2749 CA ASP A 314 173.321 174.795 223.497 1.00 0.00 0.176 C +ATOM 2750 N ASP A 314 172.248 175.519 222.827 1.00 0.00 -0.343 N +ATOM 2751 CB ASP A 314 173.392 173.348 223.000 1.00 0.00 0.087 C +ATOM 2752 CG ASP A 314 172.242 172.495 223.506 1.00 0.00 0.044 C +ATOM 2753 OD1 ASP A 314 171.707 172.786 224.595 1.00 0.00 -0.548 OA +ATOM 2754 OD2 ASP A 314 171.880 171.524 222.809 1.00 0.00 -0.549 OA +ATOM 2755 H ASP A 314 171.850 175.065 222.214 1.00 0.00 0.164 HD +ATOM 2756 C VAL A 315 176.304 177.901 222.590 1.00 0.00 0.243 C +ATOM 2757 O VAL A 315 177.364 178.176 223.152 1.00 0.00 -0.272 OA +ATOM 2758 CA VAL A 315 176.173 176.629 221.761 1.00 0.00 0.173 C +ATOM 2759 N VAL A 315 174.926 175.937 222.069 1.00 0.00 -0.343 N +ATOM 2760 CB VAL A 315 176.273 176.987 220.258 1.00 0.00 0.015 C +ATOM 2761 CG1 VAL A 315 177.471 177.906 219.987 1.00 0.00 0.010 C +ATOM 2762 CG2 VAL A 315 176.377 175.726 219.418 1.00 0.00 0.010 C +ATOM 2763 H VAL A 315 174.392 175.860 221.399 1.00 0.00 0.164 HD +ATOM 2764 C LEU A 316 175.381 179.752 224.879 1.00 0.00 0.243 C +ATOM 2765 O LEU A 316 175.990 180.573 225.562 1.00 0.00 -0.272 OA +ATOM 2766 CA LEU A 316 175.248 179.949 223.374 1.00 0.00 0.172 C +ATOM 2767 N LEU A 316 175.226 178.675 222.662 1.00 0.00 -0.345 N +ATOM 2768 CB LEU A 316 173.987 180.761 223.067 1.00 0.00 0.038 C +ATOM 2769 CG LEU A 316 173.878 181.350 221.659 1.00 0.00 -0.015 C +ATOM 2770 CD1 LEU A 316 172.520 182.010 221.472 1.00 0.00 0.007 C +ATOM 2771 CD2 LEU A 316 174.995 182.347 221.397 1.00 0.00 0.007 C +ATOM 2772 H LEU A 316 174.467 178.486 222.305 1.00 0.00 0.165 HD +ATOM 2773 C LYS A 317 176.343 178.119 227.221 1.00 0.00 0.242 C +ATOM 2774 O LYS A 317 176.788 178.502 228.302 1.00 0.00 -0.273 OA +ATOM 2775 CA LYS A 317 174.899 178.395 226.826 1.00 0.00 0.171 C +ATOM 2776 N LYS A 317 174.809 178.671 225.398 1.00 0.00 -0.344 N +ATOM 2777 CB LYS A 317 174.016 177.213 227.214 1.00 0.00 0.035 C +ATOM 2778 CG LYS A 317 174.061 176.911 228.699 1.00 0.00 0.008 C +ATOM 2779 CD LYS A 317 172.887 176.067 229.155 1.00 0.00 0.061 C +ATOM 2780 CE LYS A 317 172.504 176.411 230.584 1.00 0.00 0.258 C +ATOM 2781 NZ LYS A 317 171.722 177.673 230.651 1.00 0.00 -0.357 N +ATOM 2782 HZ1 LYS A 317 171.509 177.854 231.496 1.00 0.00 0.345 HD +ATOM 2783 HZ2 LYS A 317 172.202 178.346 230.323 1.00 0.00 0.345 HD +ATOM 2784 HZ3 LYS A 317 170.974 177.592 230.175 1.00 0.00 0.345 HD +ATOM 2785 H LYS A 317 174.366 178.087 224.949 1.00 0.00 0.164 HD +ATOM 2786 C GLN A 318 179.261 178.522 226.538 1.00 0.00 0.242 C +ATOM 2787 O GLN A 318 180.142 178.743 227.366 1.00 0.00 -0.273 OA +ATOM 2788 CA GLN A 318 178.491 177.204 226.547 1.00 0.00 0.171 C +ATOM 2789 N GLN A 318 177.073 177.453 226.335 1.00 0.00 -0.343 N +ATOM 2790 CB GLN A 318 179.034 176.260 225.474 1.00 0.00 0.045 C +ATOM 2791 CG GLN A 318 180.444 175.768 225.735 1.00 0.00 0.102 C +ATOM 2792 CD GLN A 318 180.904 174.757 224.706 1.00 0.00 0.217 C +ATOM 2793 OE1 GLN A 318 180.392 174.715 223.587 1.00 0.00 -0.275 OA +ATOM 2794 NE2 GLN A 318 181.873 173.931 225.081 1.00 0.00 -0.368 N +ATOM 2795 HE22 GLN A 318 182.205 173.989 225.873 1.00 0.00 0.159 HD +ATOM 2796 HE21 GLN A 318 182.170 173.339 224.533 1.00 0.00 0.159 HD +ATOM 2797 H GLN A 318 176.768 177.132 225.597 1.00 0.00 0.164 HD +ATOM 2798 C GLU A 319 179.119 181.634 226.617 1.00 0.00 0.242 C +ATOM 2799 O GLU A 319 179.852 182.553 226.978 1.00 0.00 -0.273 OA +ATOM 2800 CA GLU A 319 179.540 180.706 225.486 1.00 0.00 0.171 C +ATOM 2801 N GLU A 319 178.912 179.395 225.599 1.00 0.00 -0.344 N +ATOM 2802 CB GLU A 319 179.187 181.354 224.145 1.00 0.00 0.041 C +ATOM 2803 CG GLU A 319 179.747 180.635 222.933 1.00 0.00 0.055 C +ATOM 2804 CD GLU A 319 181.258 180.690 222.872 1.00 0.00 0.041 C +ATOM 2805 OE1 GLU A 319 181.815 181.804 222.959 1.00 0.00 -0.548 OA +ATOM 2806 OE2 GLU A 319 181.886 179.619 222.741 1.00 0.00 -0.549 OA +ATOM 2807 H GLU A 319 178.305 179.250 225.008 1.00 0.00 0.164 HD +ATOM 2808 C HIS A 320 176.589 181.526 229.239 1.00 0.00 0.242 C +ATOM 2809 O HIS A 320 175.359 181.517 229.239 1.00 0.00 -0.273 OA +ATOM 2810 CA HIS A 320 177.355 182.290 228.165 1.00 0.00 0.179 C +ATOM 2811 N HIS A 320 177.931 181.398 227.165 1.00 0.00 -0.343 N +ATOM 2812 CB HIS A 320 176.427 183.305 227.497 1.00 0.00 0.119 C +ATOM 2813 CG HIS A 320 177.111 184.188 226.501 1.00 0.00 0.142 A +ATOM 2814 ND1 HIS A 320 177.877 185.272 226.871 1.00 0.00 -0.248 N +ATOM 2815 CD2 HIS A 320 177.144 184.148 225.148 1.00 0.00 0.244 A +ATOM 2816 HD1 HIS A 320 178.023 185.525 227.680 1.00 0.00 0.312 HD +ATOM 2817 CE1 HIS A 320 178.353 185.861 225.789 1.00 0.00 0.400 A +ATOM 2818 NE2 HIS A 320 177.923 185.199 224.731 1.00 0.00 -0.250 N +ATOM 2819 HE2 HIS A 320 178.102 185.394 223.913 1.00 0.00 0.312 HD +ATOM 2820 H HIS A 320 177.435 180.722 226.972 1.00 0.00 0.164 HD +ATOM 2821 C PRO A 321 175.909 181.165 232.202 1.00 0.00 0.243 C +ATOM 2822 O PRO A 321 175.070 180.736 232.991 1.00 0.00 -0.271 OA +ATOM 2823 CA PRO A 321 176.654 180.199 231.283 1.00 0.00 0.175 C +ATOM 2824 N PRO A 321 177.314 180.880 230.163 1.00 0.00 -0.329 N +ATOM 2825 CB PRO A 321 177.818 179.524 232.021 1.00 0.00 0.037 C +ATOM 2826 CG PRO A 321 179.045 180.240 231.568 1.00 0.00 0.024 C +ATOM 2827 CD PRO A 321 178.772 180.672 230.169 1.00 0.00 0.121 C +ATOM 2828 C GLU A 322 174.240 183.951 232.341 1.00 0.00 0.242 C +ATOM 2829 O GLU A 322 173.469 184.619 233.025 1.00 0.00 -0.273 OA +ATOM 2830 CA GLU A 322 175.572 183.470 232.920 1.00 0.00 0.171 C +ATOM 2831 N GLU A 322 176.211 182.455 232.089 1.00 0.00 -0.344 N +ATOM 2832 CB GLU A 322 176.510 184.670 233.118 1.00 0.00 0.041 C +ATOM 2833 CG GLU A 322 176.678 185.595 231.900 1.00 0.00 0.055 C +ATOM 2834 CD GLU A 322 177.563 185.007 230.816 1.00 0.00 0.041 C +ATOM 2835 OE1 GLU A 322 178.027 183.856 230.974 1.00 0.00 -0.548 OA +ATOM 2836 OE2 GLU A 322 177.796 185.701 229.803 1.00 0.00 -0.549 OA +ATOM 2837 H GLU A 322 176.787 182.770 231.533 1.00 0.00 0.164 HD +ATOM 2838 C TRP A 323 171.513 183.361 230.922 1.00 0.00 0.242 C +ATOM 2839 O TRP A 323 171.564 182.193 231.302 1.00 0.00 -0.272 OA +ATOM 2840 CA TRP A 323 172.757 184.075 230.413 1.00 0.00 0.175 C +ATOM 2841 N TRP A 323 173.975 183.619 231.081 1.00 0.00 -0.343 N +ATOM 2842 CB TRP A 323 172.861 183.872 228.899 1.00 0.00 0.072 C +ATOM 2843 CG TRP A 323 173.574 184.969 228.173 1.00 0.00 -0.020 A +ATOM 2844 CD1 TRP A 323 174.293 185.988 228.723 1.00 0.00 0.087 A +ATOM 2845 CD2 TRP A 323 173.632 185.156 226.756 1.00 0.00 0.003 A +ATOM 2846 NE1 TRP A 323 174.797 186.798 227.735 1.00 0.00 -0.359 N +ATOM 2847 CE2 TRP A 323 174.404 186.308 226.518 1.00 0.00 0.046 A +ATOM 2848 CE3 TRP A 323 173.104 184.460 225.664 1.00 0.00 0.010 A +ATOM 2849 HE1 TRP A 323 175.280 187.498 227.861 1.00 0.00 0.166 HD +ATOM 2850 CZ2 TRP A 323 174.662 186.779 225.234 1.00 0.00 0.026 A +ATOM 2851 CZ3 TRP A 323 173.361 184.929 224.393 1.00 0.00 0.001 A +ATOM 2852 CH2 TRP A 323 174.133 186.076 224.188 1.00 0.00 0.002 A +ATOM 2853 H TRP A 323 174.484 183.131 230.589 1.00 0.00 0.164 HD +ATOM 2854 C GLY A 324 168.389 182.974 230.052 1.00 0.00 0.239 C +ATOM 2855 O GLY A 324 168.834 183.174 228.923 1.00 0.00 -0.273 OA +ATOM 2856 CA GLY A 324 169.113 183.507 231.272 1.00 0.00 0.216 C +ATOM 2857 N GLY A 324 170.395 184.077 230.910 1.00 0.00 -0.346 N +ATOM 2858 H GLY A 324 170.356 184.907 230.691 1.00 0.00 0.164 HD +ATOM 2859 C ASP A 325 166.046 182.706 228.153 1.00 0.00 0.242 C +ATOM 2860 O ASP A 325 166.102 182.413 226.960 1.00 0.00 -0.273 OA +ATOM 2861 CA ASP A 325 166.471 181.698 229.225 1.00 0.00 0.176 C +ATOM 2862 N ASP A 325 167.270 182.298 230.288 1.00 0.00 -0.343 N +ATOM 2863 CB ASP A 325 165.231 181.030 229.831 1.00 0.00 0.087 C +ATOM 2864 CG ASP A 325 164.163 180.734 228.800 1.00 0.00 0.044 C +ATOM 2865 OD1 ASP A 325 164.300 179.733 228.068 1.00 0.00 -0.548 OA +ATOM 2866 OD2 ASP A 325 163.177 181.498 228.728 1.00 0.00 -0.549 OA +ATOM 2867 H ASP A 325 166.945 182.170 231.074 1.00 0.00 0.164 HD +ATOM 2868 C GLU A 326 166.152 185.333 226.639 1.00 0.00 0.242 C +ATOM 2869 O GLU A 326 165.896 185.360 225.437 1.00 0.00 -0.273 OA +ATOM 2870 CA GLU A 326 165.094 184.879 227.644 1.00 0.00 0.171 C +ATOM 2871 N GLU A 326 165.622 183.891 228.576 1.00 0.00 -0.344 N +ATOM 2872 CB GLU A 326 164.541 186.088 228.403 1.00 0.00 0.041 C +ATOM 2873 CG GLU A 326 163.879 187.141 227.517 1.00 0.00 0.055 C +ATOM 2874 CD GLU A 326 162.629 186.637 226.827 1.00 0.00 0.041 C +ATOM 2875 OE1 GLU A 326 162.095 185.585 227.237 1.00 0.00 -0.548 OA +ATOM 2876 OE2 GLU A 326 162.178 187.298 225.872 1.00 0.00 -0.549 OA +ATOM 2877 H GLU A 326 165.629 184.147 229.397 1.00 0.00 0.164 HD +ATOM 2878 C GLN A 327 168.915 185.017 225.358 1.00 0.00 0.242 C +ATOM 2879 O GLN A 327 169.282 185.253 224.208 1.00 0.00 -0.273 OA +ATOM 2880 CA GLN A 327 168.404 186.145 226.253 1.00 0.00 0.171 C +ATOM 2881 N GLN A 327 167.337 185.683 227.128 1.00 0.00 -0.343 N +ATOM 2882 CB GLN A 327 169.557 186.737 227.068 1.00 0.00 0.045 C +ATOM 2883 CG GLN A 327 170.677 187.289 226.205 1.00 0.00 0.102 C +ATOM 2884 CD GLN A 327 171.565 188.270 226.939 1.00 0.00 0.217 C +ATOM 2885 OE1 GLN A 327 171.556 188.339 228.166 1.00 0.00 -0.275 OA +ATOM 2886 NE2 GLN A 327 172.335 189.043 226.186 1.00 0.00 -0.368 N +ATOM 2887 HE22 GLN A 327 172.311 188.969 225.330 1.00 0.00 0.159 HD +ATOM 2888 HE21 GLN A 327 172.858 189.617 226.554 1.00 0.00 0.159 HD +ATOM 2889 H GLN A 327 167.546 185.661 227.962 1.00 0.00 0.164 HD +ATOM 2890 C LEU A 328 168.385 182.422 223.931 1.00 0.00 0.243 C +ATOM 2891 O LEU A 328 168.810 182.125 222.815 1.00 0.00 -0.272 OA +ATOM 2892 CA LEU A 328 169.344 182.636 225.100 1.00 0.00 0.172 C +ATOM 2893 N LEU A 328 168.939 183.798 225.886 1.00 0.00 -0.345 N +ATOM 2894 CB LEU A 328 169.398 181.376 225.971 1.00 0.00 0.038 C +ATOM 2895 CG LEU A 328 170.630 181.183 226.861 1.00 0.00 -0.015 C +ATOM 2896 CD1 LEU A 328 170.369 180.103 227.898 1.00 0.00 0.007 C +ATOM 2897 CD2 LEU A 328 171.857 180.829 226.037 1.00 0.00 0.007 C +ATOM 2898 H LEU A 328 168.725 183.616 226.699 1.00 0.00 0.165 HD +ATOM 2899 C PHE A 329 166.161 183.488 222.088 1.00 0.00 0.243 C +ATOM 2900 O PHE A 329 166.136 183.198 220.891 1.00 0.00 -0.272 OA +ATOM 2901 CA PHE A 329 166.085 182.396 223.153 1.00 0.00 0.175 C +ATOM 2902 N PHE A 329 167.091 182.574 224.192 1.00 0.00 -0.343 N +ATOM 2903 CB PHE A 329 164.677 182.378 223.747 1.00 0.00 0.070 C +ATOM 2904 CG PHE A 329 163.601 182.564 222.720 1.00 0.00 -0.045 A +ATOM 2905 CD1 PHE A 329 163.161 181.494 221.960 1.00 0.00 0.004 A +ATOM 2906 CD2 PHE A 329 163.051 183.814 222.489 1.00 0.00 0.004 A +ATOM 2907 CE1 PHE A 329 162.182 181.666 221.002 1.00 0.00 0.000 A +ATOM 2908 CE2 PHE A 329 162.074 183.991 221.531 1.00 0.00 0.000 A +ATOM 2909 CZ PHE A 329 161.638 182.919 220.787 1.00 0.00 0.000 A +ATOM 2910 H PHE A 329 166.769 182.779 224.963 1.00 0.00 0.164 HD +ATOM 2911 C GLN A 330 167.479 185.845 220.718 1.00 0.00 0.242 C +ATOM 2912 O GLN A 330 167.389 186.037 219.507 1.00 0.00 -0.273 OA +ATOM 2913 CA GLN A 330 166.236 185.869 221.605 1.00 0.00 0.171 C +ATOM 2914 N GLN A 330 166.235 184.740 222.528 1.00 0.00 -0.343 N +ATOM 2915 CB GLN A 330 166.158 187.196 222.366 1.00 0.00 0.045 C +ATOM 2916 CG GLN A 330 164.874 187.400 223.168 1.00 0.00 0.102 C +ATOM 2917 CD GLN A 330 163.634 187.556 222.304 1.00 0.00 0.217 C +ATOM 2918 OE1 GLN A 330 163.719 187.775 221.098 1.00 0.00 -0.275 OA +ATOM 2919 NE2 GLN A 330 162.470 187.444 222.927 1.00 0.00 -0.368 N +ATOM 2920 HE22 GLN A 330 162.448 187.291 223.773 1.00 0.00 0.159 HD +ATOM 2921 HE21 GLN A 330 161.736 187.523 222.485 1.00 0.00 0.159 HD +ATOM 2922 H GLN A 330 166.286 184.963 223.357 1.00 0.00 0.164 HD +ATOM 2923 C THR A 331 169.913 184.464 219.563 1.00 0.00 0.245 C +ATOM 2924 O THR A 331 170.453 184.607 218.470 1.00 0.00 -0.273 OA +ATOM 2925 CA THR A 331 169.887 185.611 220.569 1.00 0.00 0.199 C +ATOM 2926 N THR A 331 168.637 185.598 221.319 1.00 0.00 -0.341 N +ATOM 2927 CB THR A 331 171.107 185.520 221.503 1.00 0.00 0.143 C +ATOM 2928 CG2 THR A 331 172.406 185.628 220.711 1.00 0.00 0.041 C +ATOM 2929 OG1 THR A 331 171.055 186.585 222.458 1.00 0.00 -0.389 OA +ATOM 2930 HG1 THR A 331 170.352 186.528 222.914 1.00 0.00 0.211 HD +ATOM 2931 H THR A 331 168.727 185.422 222.156 1.00 0.00 0.164 HD +ATOM 2932 C SER A 332 168.340 182.542 217.811 1.00 0.00 0.244 C +ATOM 2933 O SER A 332 168.668 182.195 216.678 1.00 0.00 -0.272 OA +ATOM 2934 CA SER A 332 169.213 182.200 219.010 1.00 0.00 0.197 C +ATOM 2935 N SER A 332 169.312 183.333 219.924 1.00 0.00 -0.342 N +ATOM 2936 CB SER A 332 168.652 180.971 219.723 1.00 0.00 0.191 C +ATOM 2937 OG SER A 332 169.562 180.482 220.689 1.00 0.00 -0.392 OA +ATOM 2938 HG SER A 332 169.715 181.075 221.265 1.00 0.00 0.210 HD +ATOM 2939 H SER A 332 168.954 183.197 220.693 1.00 0.00 0.164 HD +ATOM 2940 C ARG A 333 167.012 184.529 215.999 1.00 0.00 0.242 C +ATOM 2941 O ARG A 333 166.841 184.374 214.795 1.00 0.00 -0.273 OA +ATOM 2942 CA ARG A 333 166.315 183.620 217.004 1.00 0.00 0.171 C +ATOM 2943 N ARG A 333 167.226 183.221 218.066 1.00 0.00 -0.344 N +ATOM 2944 CB ARG A 333 165.085 184.321 217.579 1.00 0.00 0.038 C +ATOM 2945 CG ARG A 333 164.157 184.892 216.520 1.00 0.00 0.040 C +ATOM 2946 CD ARG A 333 162.849 185.359 217.111 1.00 0.00 0.197 C +ATOM 2947 NE ARG A 333 161.850 185.593 216.077 1.00 0.00 -0.278 N +ATOM 2948 HE ARG A 333 162.111 185.587 215.257 1.00 0.00 0.260 HD +ATOM 2949 CZ ARG A 333 160.563 185.815 216.316 1.00 0.00 0.339 C +ATOM 2950 NH1 ARG A 333 160.105 185.836 217.562 1.00 0.00 -0.290 N +ATOM 2951 NH2 ARG A 333 159.730 186.014 215.306 1.00 0.00 -0.290 N +ATOM 2952 HH12 ARG A 333 160.643 185.706 218.220 1.00 0.00 0.256 HD +ATOM 2953 HH11 ARG A 333 159.270 185.980 217.711 1.00 0.00 0.256 HD +ATOM 2954 HH22 ARG A 333 160.024 186.001 214.498 1.00 0.00 0.256 HD +ATOM 2955 HH21 ARG A 333 158.897 186.159 215.458 1.00 0.00 0.256 HD +ATOM 2956 H ARG A 333 166.975 183.463 218.852 1.00 0.00 0.164 HD +ATOM 2957 C LEU A 334 169.594 185.641 214.816 1.00 0.00 0.243 C +ATOM 2958 O LEU A 334 169.843 185.985 213.661 1.00 0.00 -0.272 OA +ATOM 2959 CA LEU A 334 168.541 186.381 215.635 1.00 0.00 0.172 C +ATOM 2960 N LEU A 334 167.799 185.473 216.500 1.00 0.00 -0.345 N +ATOM 2961 CB LEU A 334 169.201 187.483 216.462 1.00 0.00 0.038 C +ATOM 2962 CG LEU A 334 168.267 188.478 217.162 1.00 0.00 -0.015 C +ATOM 2963 CD1 LEU A 334 169.083 189.525 217.897 1.00 0.00 0.007 C +ATOM 2964 CD2 LEU A 334 167.311 189.143 216.180 1.00 0.00 0.007 C +ATOM 2965 H LEU A 334 167.920 185.609 217.340 1.00 0.00 0.165 HD +ATOM 2966 C ILE A 335 170.497 183.017 213.607 1.00 0.00 0.243 C +ATOM 2967 O ILE A 335 170.985 182.950 212.481 1.00 0.00 -0.272 OA +ATOM 2968 CA ILE A 335 171.191 183.817 214.708 1.00 0.00 0.174 C +ATOM 2969 N ILE A 335 170.210 184.627 215.413 1.00 0.00 -0.343 N +ATOM 2970 CB ILE A 335 171.949 182.881 215.683 1.00 0.00 0.018 C +ATOM 2971 CG2 ILE A 335 172.699 181.775 214.929 1.00 0.00 0.010 C +ATOM 2972 CG1 ILE A 335 172.944 183.701 216.511 1.00 0.00 0.002 C +ATOM 2973 CD1 ILE A 335 173.609 182.936 217.639 1.00 0.00 0.004 C +ATOM 2974 H ILE A 335 170.076 184.388 216.229 1.00 0.00 0.164 HD +ATOM 2975 C LEU A 336 168.063 182.492 211.810 1.00 0.00 0.243 C +ATOM 2976 O LEU A 336 167.910 182.007 210.692 1.00 0.00 -0.272 OA +ATOM 2977 CA LEU A 336 168.608 181.635 212.951 1.00 0.00 0.172 C +ATOM 2978 N LEU A 336 169.346 182.433 213.924 1.00 0.00 -0.345 N +ATOM 2979 CB LEU A 336 167.463 180.873 213.628 1.00 0.00 0.038 C +ATOM 2980 CG LEU A 336 167.758 179.394 213.891 1.00 0.00 -0.015 C +ATOM 2981 CD1 LEU A 336 168.805 179.243 214.982 1.00 0.00 0.007 C +ATOM 2982 CD2 LEU A 336 166.492 178.631 214.241 1.00 0.00 0.007 C +ATOM 2983 H LEU A 336 168.971 182.483 214.696 1.00 0.00 0.165 HD +ATOM 2984 C ILE A 337 168.576 184.930 210.134 1.00 0.00 0.243 C +ATOM 2985 O ILE A 337 168.447 184.977 208.911 1.00 0.00 -0.272 OA +ATOM 2986 CA ILE A 337 167.371 184.689 211.041 1.00 0.00 0.174 C +ATOM 2987 N ILE A 337 167.764 183.758 212.091 1.00 0.00 -0.343 N +ATOM 2988 CB ILE A 337 166.845 186.026 211.618 1.00 0.00 0.018 C +ATOM 2989 CG2 ILE A 337 166.749 187.104 210.522 1.00 0.00 0.010 C +ATOM 2990 CG1 ILE A 337 165.465 185.818 212.247 1.00 0.00 0.002 C +ATOM 2991 CD1 ILE A 337 164.944 187.010 213.019 1.00 0.00 0.004 C +ATOM 2992 H ILE A 337 167.780 184.100 212.880 1.00 0.00 0.164 HD +ATOM 2993 C GLY A 338 171.258 184.007 209.121 1.00 0.00 0.239 C +ATOM 2994 O GLY A 338 171.600 184.153 207.949 1.00 0.00 -0.273 OA +ATOM 2995 CA GLY A 338 170.981 185.216 209.995 1.00 0.00 0.216 C +ATOM 2996 N GLY A 338 169.747 185.072 210.744 1.00 0.00 -0.346 N +ATOM 2997 H GLY A 338 169.851 185.089 211.597 1.00 0.00 0.164 HD +ATOM 2998 C GLU A 339 170.359 181.485 207.747 1.00 0.00 0.242 C +ATOM 2999 O GLU A 339 170.756 181.051 206.668 1.00 0.00 -0.273 OA +ATOM 3000 CA GLU A 339 171.299 181.573 208.941 1.00 0.00 0.171 C +ATOM 3001 N GLU A 339 171.110 182.813 209.690 1.00 0.00 -0.344 N +ATOM 3002 CB GLU A 339 171.076 180.352 209.833 1.00 0.00 0.041 C +ATOM 3003 CG GLU A 339 172.098 180.170 210.937 1.00 0.00 0.055 C +ATOM 3004 CD GLU A 339 171.892 178.880 211.699 1.00 0.00 0.041 C +ATOM 3005 OE1 GLU A 339 171.518 177.871 211.070 1.00 0.00 -0.548 OA +ATOM 3006 OE2 GLU A 339 172.094 178.876 212.929 1.00 0.00 -0.549 OA +ATOM 3007 H GLU A 339 170.900 182.693 210.515 1.00 0.00 0.164 HD +ATOM 3008 C THR A 340 168.451 182.659 205.726 1.00 0.00 0.245 C +ATOM 3009 O THR A 340 168.422 182.201 204.591 1.00 0.00 -0.273 OA +ATOM 3010 CA THR A 340 168.089 181.787 206.918 1.00 0.00 0.199 C +ATOM 3011 N THR A 340 169.109 181.887 207.954 1.00 0.00 -0.341 N +ATOM 3012 CB THR A 340 166.692 182.192 207.452 1.00 0.00 0.143 C +ATOM 3013 CG2 THR A 340 165.634 182.072 206.363 1.00 0.00 0.041 C +ATOM 3014 OG1 THR A 340 166.329 181.343 208.546 1.00 0.00 -0.389 OA +ATOM 3015 HG1 THR A 340 166.892 181.416 209.166 1.00 0.00 0.211 HD +ATOM 3016 H THR A 340 168.826 182.225 208.693 1.00 0.00 0.164 HD +ATOM 3017 C ILE A 341 170.416 184.385 204.199 1.00 0.00 0.243 C +ATOM 3018 O ILE A 341 170.498 184.454 202.973 1.00 0.00 -0.272 OA +ATOM 3019 CA ILE A 341 169.150 184.848 204.923 1.00 0.00 0.174 C +ATOM 3020 N ILE A 341 168.798 183.915 205.988 1.00 0.00 -0.343 N +ATOM 3021 CB ILE A 341 169.350 186.276 205.471 1.00 0.00 0.018 C +ATOM 3022 CG2 ILE A 341 169.772 187.229 204.358 1.00 0.00 0.010 C +ATOM 3023 CG1 ILE A 341 168.054 186.774 206.120 1.00 0.00 0.002 C +ATOM 3024 CD1 ILE A 341 168.206 188.053 206.916 1.00 0.00 0.004 C +ATOM 3025 H ILE A 341 168.837 184.253 206.777 1.00 0.00 0.164 HD +ATOM 3026 C LYS A 342 172.323 182.217 203.435 1.00 0.00 0.242 C +ATOM 3027 O LYS A 342 172.805 182.209 202.303 1.00 0.00 -0.273 OA +ATOM 3028 CA LYS A 342 172.621 183.354 204.409 1.00 0.00 0.171 C +ATOM 3029 N LYS A 342 171.394 183.915 204.965 1.00 0.00 -0.344 N +ATOM 3030 CB LYS A 342 173.522 182.848 205.537 1.00 0.00 0.035 C +ATOM 3031 CG LYS A 342 174.771 182.091 205.087 1.00 0.00 0.008 C +ATOM 3032 CD LYS A 342 175.813 183.023 204.508 1.00 0.00 0.061 C +ATOM 3033 CE LYS A 342 177.127 182.296 204.294 1.00 0.00 0.258 C +ATOM 3034 NZ LYS A 342 178.222 183.215 203.872 1.00 0.00 -0.357 N +ATOM 3035 HZ1 LYS A 342 178.976 182.757 203.756 1.00 0.00 0.345 HD +ATOM 3036 HZ2 LYS A 342 178.005 183.615 203.107 1.00 0.00 0.345 HD +ATOM 3037 HZ3 LYS A 342 178.354 183.837 204.495 1.00 0.00 0.345 HD +ATOM 3038 H LYS A 342 171.371 183.911 205.825 1.00 0.00 0.164 HD +ATOM 3039 C ILE A 343 170.378 180.429 201.875 1.00 0.00 0.243 C +ATOM 3040 O ILE A 343 170.618 179.905 200.789 1.00 0.00 -0.272 OA +ATOM 3041 CA ILE A 343 171.210 180.076 203.102 1.00 0.00 0.174 C +ATOM 3042 N ILE A 343 171.527 181.257 203.893 1.00 0.00 -0.343 N +ATOM 3043 CB ILE A 343 170.474 179.023 203.964 1.00 0.00 0.018 C +ATOM 3044 CG2 ILE A 343 169.757 177.987 203.094 1.00 0.00 0.010 C +ATOM 3045 CG1 ILE A 343 171.488 178.321 204.871 1.00 0.00 0.002 C +ATOM 3046 CD1 ILE A 343 170.880 177.458 205.952 1.00 0.00 0.004 C +ATOM 3047 H ILE A 343 171.154 181.267 204.668 1.00 0.00 0.164 HD +ATOM 3048 C VAL A 344 169.372 182.333 199.800 1.00 0.00 0.243 C +ATOM 3049 O VAL A 344 169.199 182.003 198.635 1.00 0.00 -0.272 OA +ATOM 3050 CA VAL A 344 168.547 181.701 200.923 1.00 0.00 0.173 C +ATOM 3051 N VAL A 344 169.405 181.316 202.040 1.00 0.00 -0.343 N +ATOM 3052 CB VAL A 344 167.431 182.671 201.374 1.00 0.00 0.015 C +ATOM 3053 CG1 VAL A 344 166.759 183.350 200.173 1.00 0.00 0.010 C +ATOM 3054 CG2 VAL A 344 166.398 181.921 202.195 1.00 0.00 0.010 C +ATOM 3055 H VAL A 344 169.219 181.708 202.783 1.00 0.00 0.164 HD +ATOM 3056 C ILE A 345 172.107 183.022 198.482 1.00 0.00 0.243 C +ATOM 3057 O ILE A 345 172.214 182.994 197.256 1.00 0.00 -0.272 OA +ATOM 3058 CA ILE A 345 171.070 183.931 199.146 1.00 0.00 0.174 C +ATOM 3059 N ILE A 345 170.279 183.233 200.151 1.00 0.00 -0.343 N +ATOM 3060 CB ILE A 345 171.778 185.153 199.761 1.00 0.00 0.018 C +ATOM 3061 CG2 ILE A 345 172.914 185.652 198.855 1.00 0.00 0.010 C +ATOM 3062 CG1 ILE A 345 170.757 186.269 199.997 1.00 0.00 0.002 C +ATOM 3063 CD1 ILE A 345 171.291 187.465 200.762 1.00 0.00 0.004 C +ATOM 3064 H ILE A 345 170.456 183.459 200.962 1.00 0.00 0.164 HD +ATOM 3065 C GLU A 346 173.828 180.153 198.369 1.00 0.00 0.242 C +ATOM 3066 O GLU A 346 174.705 179.542 197.757 1.00 0.00 -0.273 OA +ATOM 3067 CA GLU A 346 174.057 181.605 198.792 1.00 0.00 0.171 C +ATOM 3068 N GLU A 346 172.859 182.279 199.287 1.00 0.00 -0.344 N +ATOM 3069 CB GLU A 346 175.159 181.667 199.852 1.00 0.00 0.041 C +ATOM 3070 CG GLU A 346 175.619 183.091 200.147 1.00 0.00 0.055 C +ATOM 3071 CD GLU A 346 176.926 183.159 200.920 1.00 0.00 0.041 C +ATOM 3072 OE1 GLU A 346 177.575 182.108 201.109 1.00 0.00 -0.548 OA +ATOM 3073 OE2 GLU A 346 177.310 184.272 201.340 1.00 0.00 -0.549 OA +ATOM 3074 H GLU A 346 172.699 182.149 200.121 1.00 0.00 0.164 HD +ATOM 3075 C ASP A 347 171.025 178.268 197.387 1.00 0.00 0.242 C +ATOM 3076 O ASP A 347 171.015 177.761 196.267 1.00 0.00 -0.273 OA +ATOM 3077 CA ASP A 347 172.292 178.257 198.233 1.00 0.00 0.176 C +ATOM 3078 N ASP A 347 172.657 179.604 198.681 1.00 0.00 -0.343 N +ATOM 3079 CB ASP A 347 172.099 177.320 199.427 1.00 0.00 0.087 C +ATOM 3080 CG ASP A 347 173.392 177.032 200.158 1.00 0.00 0.044 C +ATOM 3081 OD1 ASP A 347 174.403 176.722 199.493 1.00 0.00 -0.548 OA +ATOM 3082 OD2 ASP A 347 173.396 177.121 201.401 1.00 0.00 -0.549 OA +ATOM 3083 H ASP A 347 172.051 179.991 199.154 1.00 0.00 0.164 HD +ATOM 3084 C TYR A 348 168.606 179.701 196.035 1.00 0.00 0.243 C +ATOM 3085 O TYR A 348 168.340 179.205 194.945 1.00 0.00 -0.272 OA +ATOM 3086 CA TYR A 348 168.647 178.828 197.288 1.00 0.00 0.175 C +ATOM 3087 N TYR A 348 169.960 178.853 197.928 1.00 0.00 -0.343 N +ATOM 3088 CB TYR A 348 167.578 179.269 198.292 1.00 0.00 0.070 C +ATOM 3089 CG TYR A 348 166.175 179.391 197.750 1.00 0.00 -0.045 A +ATOM 3090 CD1 TYR A 348 165.367 178.276 197.607 1.00 0.00 0.007 A +ATOM 3091 CD2 TYR A 348 165.645 180.630 197.416 1.00 0.00 0.007 A +ATOM 3092 CE1 TYR A 348 164.078 178.387 197.130 1.00 0.00 0.046 A +ATOM 3093 CE2 TYR A 348 164.356 180.749 196.937 1.00 0.00 0.046 A +ATOM 3094 CZ TYR A 348 163.578 179.621 196.798 1.00 0.00 0.115 A +ATOM 3095 OH TYR A 348 162.295 179.725 196.324 1.00 0.00 -0.507 OA +ATOM 3096 HH TYR A 348 162.113 180.529 196.159 1.00 0.00 0.294 HD +ATOM 3097 H TYR A 348 169.972 179.278 198.675 1.00 0.00 0.164 HD +ATOM 3098 C VAL A 349 170.053 181.499 194.106 1.00 0.00 0.243 C +ATOM 3099 O VAL A 349 169.924 181.575 192.884 1.00 0.00 -0.272 OA +ATOM 3100 CA VAL A 349 168.910 181.897 195.039 1.00 0.00 0.173 C +ATOM 3101 N VAL A 349 168.866 180.997 196.188 1.00 0.00 -0.343 N +ATOM 3102 CB VAL A 349 169.082 183.369 195.468 1.00 0.00 0.015 C +ATOM 3103 CG1 VAL A 349 169.210 184.283 194.243 1.00 0.00 0.010 C +ATOM 3104 CG2 VAL A 349 167.912 183.813 196.331 1.00 0.00 0.010 C +ATOM 3105 H VAL A 349 169.020 181.378 196.943 1.00 0.00 0.164 HD +ATOM 3106 C GLN A 350 171.951 179.555 192.933 1.00 0.00 0.242 C +ATOM 3107 O GLN A 350 172.278 179.649 191.751 1.00 0.00 -0.273 OA +ATOM 3108 CA GLN A 350 172.332 180.638 193.937 1.00 0.00 0.171 C +ATOM 3109 N GLN A 350 171.168 181.080 194.695 1.00 0.00 -0.343 N +ATOM 3110 CB GLN A 350 173.418 180.120 194.885 1.00 0.00 0.045 C +ATOM 3111 CG GLN A 350 174.719 179.724 194.201 1.00 0.00 0.102 C +ATOM 3112 CD GLN A 350 175.428 180.901 193.558 1.00 0.00 0.217 C +ATOM 3113 OE1 GLN A 350 175.867 181.826 194.239 1.00 0.00 -0.275 OA +ATOM 3114 NE2 GLN A 350 175.542 180.870 192.238 1.00 0.00 -0.368 N +ATOM 3115 HE22 GLN A 350 175.223 180.207 191.794 1.00 0.00 0.159 HD +ATOM 3116 HE21 GLN A 350 175.936 181.514 191.825 1.00 0.00 0.159 HD +ATOM 3117 H GLN A 350 171.276 181.042 195.547 1.00 0.00 0.164 HD +ATOM 3118 C HIS A 351 169.754 177.972 191.560 1.00 0.00 0.242 C +ATOM 3119 O HIS A 351 169.800 177.683 190.366 1.00 0.00 -0.272 OA +ATOM 3120 CA HIS A 351 170.786 177.455 192.547 1.00 0.00 0.177 C +ATOM 3121 N HIS A 351 171.258 178.528 193.412 1.00 0.00 -0.343 N +ATOM 3122 CB HIS A 351 170.165 176.327 193.369 1.00 0.00 0.093 C +ATOM 3123 CG HIS A 351 169.383 175.355 192.544 1.00 0.00 0.061 A +ATOM 3124 ND1 HIS A 351 169.980 174.374 191.785 1.00 0.00 -0.242 NA +ATOM 3125 CD2 HIS A 351 168.051 175.232 192.337 1.00 0.00 0.107 A +ATOM 3126 CE1 HIS A 351 169.050 173.679 191.156 1.00 0.00 0.196 A +ATOM 3127 NE2 HIS A 351 167.870 174.179 191.474 1.00 0.00 -0.350 N +ATOM 3128 HE2 HIS A 351 167.112 173.892 191.187 1.00 0.00 0.167 HD +ATOM 3129 H HIS A 351 171.046 178.430 194.240 1.00 0.00 0.164 HD +ATOM 3130 C LEU A 352 168.134 180.101 190.160 1.00 0.00 0.243 C +ATOM 3131 O LEU A 352 167.600 179.951 189.060 1.00 0.00 -0.272 OA +ATOM 3132 CA LEU A 352 167.689 179.277 191.367 1.00 0.00 0.172 C +ATOM 3133 N LEU A 352 168.815 178.730 192.103 1.00 0.00 -0.345 N +ATOM 3134 CB LEU A 352 166.857 180.118 192.336 1.00 0.00 0.038 C +ATOM 3135 CG LEU A 352 165.548 180.777 191.934 1.00 0.00 -0.015 C +ATOM 3136 CD1 LEU A 352 164.666 180.862 193.165 1.00 0.00 0.007 C +ATOM 3137 CD2 LEU A 352 165.803 182.158 191.380 1.00 0.00 0.007 C +ATOM 3138 H LEU A 352 168.810 178.951 192.934 1.00 0.00 0.165 HD +ATOM 3139 C SER A 353 170.326 181.107 188.208 1.00 0.00 0.244 C +ATOM 3140 O SER A 353 170.278 181.519 187.050 1.00 0.00 -0.272 OA +ATOM 3141 CA SER A 353 169.612 181.853 189.328 1.00 0.00 0.197 C +ATOM 3142 N SER A 353 169.127 180.958 190.372 1.00 0.00 -0.342 N +ATOM 3143 CB SER A 353 170.560 182.892 189.926 1.00 0.00 0.191 C +ATOM 3144 OG SER A 353 171.751 182.281 190.393 1.00 0.00 -0.392 OA +ATOM 3145 HG SER A 353 171.570 181.714 190.985 1.00 0.00 0.210 HD +ATOM 3146 H SER A 353 169.540 181.042 191.121 1.00 0.00 0.164 HD +ATOM 3147 C GLY A 354 173.129 180.052 187.341 1.00 0.00 0.239 C +ATOM 3148 O GLY A 354 173.904 179.665 186.468 1.00 0.00 -0.273 OA +ATOM 3149 CA GLY A 354 171.839 179.301 187.622 1.00 0.00 0.216 C +ATOM 3150 N GLY A 354 170.997 180.016 188.562 1.00 0.00 -0.346 N +ATOM 3151 H GLY A 354 170.979 179.669 189.348 1.00 0.00 0.164 HD +ATOM 3152 C TYR A 355 175.812 181.223 188.257 1.00 0.00 0.243 C +ATOM 3153 O TYR A 355 175.831 180.438 189.204 1.00 0.00 -0.272 OA +ATOM 3154 CA TYR A 355 174.535 181.968 187.882 1.00 0.00 0.175 C +ATOM 3155 N TYR A 355 173.357 181.132 188.081 1.00 0.00 -0.343 N +ATOM 3156 CB TYR A 355 174.435 183.255 188.712 1.00 0.00 0.070 C +ATOM 3157 CG TYR A 355 173.343 184.222 188.294 1.00 0.00 -0.045 A +ATOM 3158 CD1 TYR A 355 172.676 184.082 187.085 1.00 0.00 0.007 A +ATOM 3159 CD2 TYR A 355 172.989 185.287 189.113 1.00 0.00 0.007 A +ATOM 3160 CE1 TYR A 355 171.686 184.970 186.708 1.00 0.00 0.046 A +ATOM 3161 CE2 TYR A 355 172.001 186.177 188.744 1.00 0.00 0.046 A +ATOM 3162 CZ TYR A 355 171.353 186.015 187.542 1.00 0.00 0.115 A +ATOM 3163 OH TYR A 355 170.368 186.901 187.171 1.00 0.00 -0.507 OA +ATOM 3164 HH TYR A 355 170.058 186.688 186.420 1.00 0.00 0.294 HD +ATOM 3165 H TYR A 355 172.840 181.404 188.712 1.00 0.00 0.164 HD +ATOM 3166 C HIS A 356 178.851 181.853 188.871 1.00 0.00 0.242 C +ATOM 3167 O HIS A 356 179.671 181.404 189.669 1.00 0.00 -0.272 OA +ATOM 3168 CA HIS A 356 178.194 180.951 187.834 1.00 0.00 0.177 C +ATOM 3169 N HIS A 356 176.875 181.473 187.501 1.00 0.00 -0.343 N +ATOM 3170 CB HIS A 356 179.072 180.849 186.588 1.00 0.00 0.093 C +ATOM 3171 CG HIS A 356 178.654 179.769 185.640 1.00 0.00 0.061 A +ATOM 3172 ND1 HIS A 356 178.143 178.561 186.064 1.00 0.00 -0.242 NA +ATOM 3173 CD2 HIS A 356 178.669 179.717 184.288 1.00 0.00 0.107 A +ATOM 3174 CE1 HIS A 356 177.864 177.811 185.014 1.00 0.00 0.196 A +ATOM 3175 NE2 HIS A 356 178.173 178.489 183.924 1.00 0.00 -0.350 N +ATOM 3176 HE2 HIS A 356 178.080 178.207 183.116 1.00 0.00 0.167 HD +ATOM 3177 H HIS A 356 176.858 181.948 186.784 1.00 0.00 0.164 HD +ATOM 3178 C PHE A 357 178.383 183.649 191.220 1.00 0.00 0.243 C +ATOM 3179 O PHE A 357 177.211 183.300 191.347 1.00 0.00 -0.272 OA +ATOM 3180 CA PHE A 357 178.927 184.074 189.862 1.00 0.00 0.175 C +ATOM 3181 N PHE A 357 178.486 183.131 188.845 1.00 0.00 -0.343 N +ATOM 3182 CB PHE A 357 178.471 185.493 189.522 1.00 0.00 0.070 C +ATOM 3183 CG PHE A 357 178.711 186.485 190.623 1.00 0.00 -0.045 A +ATOM 3184 CD1 PHE A 357 179.989 186.938 190.899 1.00 0.00 0.004 A +ATOM 3185 CD2 PHE A 357 177.656 186.969 191.379 1.00 0.00 0.004 A +ATOM 3186 CE1 PHE A 357 180.211 187.850 191.910 1.00 0.00 0.000 A +ATOM 3187 CE2 PHE A 357 177.872 187.883 192.393 1.00 0.00 0.000 A +ATOM 3188 CZ PHE A 357 179.150 188.324 192.659 1.00 0.00 0.000 A +ATOM 3189 H PHE A 357 177.979 183.477 188.242 1.00 0.00 0.164 HD +ATOM 3190 C LYS A 358 178.309 184.292 194.416 1.00 0.00 0.242 C +ATOM 3191 O LYS A 358 179.030 185.139 194.946 1.00 0.00 -0.273 OA +ATOM 3192 CA LYS A 358 178.910 183.182 193.555 1.00 0.00 0.171 C +ATOM 3193 N LYS A 358 179.248 183.678 192.227 1.00 0.00 -0.344 N +ATOM 3194 CB LYS A 358 180.158 182.596 194.220 1.00 0.00 0.035 C +ATOM 3195 CG LYS A 358 179.889 181.762 195.456 1.00 0.00 0.008 C +ATOM 3196 CD LYS A 358 181.183 181.172 195.996 1.00 0.00 0.061 C +ATOM 3197 CE LYS A 358 181.015 180.639 197.409 1.00 0.00 0.258 C +ATOM 3198 NZ LYS A 358 182.300 180.134 197.969 1.00 0.00 -0.357 N +ATOM 3199 HZ1 LYS A 358 182.173 179.828 198.795 1.00 0.00 0.345 HD +ATOM 3200 HZ2 LYS A 358 182.614 179.473 197.462 1.00 0.00 0.345 HD +ATOM 3201 HZ3 LYS A 358 182.900 180.790 197.993 1.00 0.00 0.345 HD +ATOM 3202 H LYS A 358 180.048 183.986 192.166 1.00 0.00 0.164 HD +ATOM 3203 C LEU A 359 176.756 185.270 196.773 1.00 0.00 0.243 C +ATOM 3204 O LEU A 359 177.197 184.238 197.275 1.00 0.00 -0.272 OA +ATOM 3205 CA LEU A 359 176.275 185.289 195.327 1.00 0.00 0.172 C +ATOM 3206 N LEU A 359 176.984 184.284 194.540 1.00 0.00 -0.345 N +ATOM 3207 CB LEU A 359 174.765 185.056 195.269 1.00 0.00 0.038 C +ATOM 3208 CG LEU A 359 174.125 185.121 193.880 1.00 0.00 -0.015 C +ATOM 3209 CD1 LEU A 359 172.676 184.675 193.947 1.00 0.00 0.007 C +ATOM 3210 CD2 LEU A 359 174.224 186.521 193.292 1.00 0.00 0.007 C +ATOM 3211 H LEU A 359 176.468 183.701 194.175 1.00 0.00 0.165 HD +ATOM 3212 C LYS A 360 176.238 187.309 199.695 1.00 0.00 0.242 C +ATOM 3213 O LYS A 360 175.663 188.334 199.332 1.00 0.00 -0.273 OA +ATOM 3214 CA LYS A 360 177.217 186.596 198.769 1.00 0.00 0.171 C +ATOM 3215 N LYS A 360 176.664 186.421 197.432 1.00 0.00 -0.344 N +ATOM 3216 CB LYS A 360 178.524 187.391 198.695 1.00 0.00 0.035 C +ATOM 3217 CG LYS A 360 179.308 187.434 199.998 1.00 0.00 0.008 C +ATOM 3218 CD LYS A 360 180.497 188.378 199.896 1.00 0.00 0.061 C +ATOM 3219 CE LYS A 360 181.441 188.228 201.078 1.00 0.00 0.258 C +ATOM 3220 NZ LYS A 360 182.267 189.450 201.298 1.00 0.00 -0.357 N +ATOM 3221 HZ1 LYS A 360 182.808 189.330 201.995 1.00 0.00 0.345 HD +ATOM 3222 HZ2 LYS A 360 182.759 189.618 200.576 1.00 0.00 0.345 HD +ATOM 3223 HZ3 LYS A 360 181.739 190.148 201.458 1.00 0.00 0.345 HD +ATOM 3224 H LYS A 360 176.281 187.125 197.120 1.00 0.00 0.164 HD +ATOM 3225 C PHE A 361 176.353 188.250 202.761 1.00 0.00 0.243 C +ATOM 3226 O PHE A 361 177.138 187.674 203.512 1.00 0.00 -0.272 OA +ATOM 3227 CA PHE A 361 175.342 187.466 201.944 1.00 0.00 0.175 C +ATOM 3228 N PHE A 361 176.051 186.758 200.890 1.00 0.00 -0.343 N +ATOM 3229 CB PHE A 361 174.553 186.511 202.843 1.00 0.00 0.070 C +ATOM 3230 CG PHE A 361 173.889 187.194 204.007 1.00 0.00 -0.045 A +ATOM 3231 CD1 PHE A 361 173.163 188.359 203.817 1.00 0.00 0.004 A +ATOM 3232 CD2 PHE A 361 173.990 186.678 205.286 1.00 0.00 0.004 A +ATOM 3233 CE1 PHE A 361 172.556 188.993 204.881 1.00 0.00 0.000 A +ATOM 3234 CE2 PHE A 361 173.383 187.308 206.350 1.00 0.00 0.000 A +ATOM 3235 CZ PHE A 361 172.665 188.465 206.148 1.00 0.00 0.000 A +ATOM 3236 H PHE A 361 176.326 185.975 201.114 1.00 0.00 0.164 HD +ATOM 3237 C ASP A 362 176.705 191.840 203.434 1.00 0.00 0.242 C +ATOM 3238 O ASP A 362 176.873 192.673 202.548 1.00 0.00 -0.273 OA +ATOM 3239 CA ASP A 362 177.278 190.433 203.290 1.00 0.00 0.176 C +ATOM 3240 N ASP A 362 176.337 189.568 202.599 1.00 0.00 -0.343 N +ATOM 3241 CB ASP A 362 178.610 190.473 202.543 1.00 0.00 0.087 C +ATOM 3242 CG ASP A 362 179.671 191.265 203.284 1.00 0.00 0.044 C +ATOM 3243 OD1 ASP A 362 179.449 191.613 204.465 1.00 0.00 -0.548 OA +ATOM 3244 OD2 ASP A 362 180.734 191.534 202.688 1.00 0.00 -0.549 OA +ATOM 3245 H ASP A 362 175.785 189.987 202.090 1.00 0.00 0.164 HD +ATOM 3246 C PRO A 363 176.390 194.591 204.676 1.00 0.00 0.243 C +ATOM 3247 O PRO A 363 175.960 195.707 204.387 1.00 0.00 -0.271 OA +ATOM 3248 CA PRO A 363 175.416 193.422 204.809 1.00 0.00 0.175 C +ATOM 3249 N PRO A 363 176.013 192.107 204.554 1.00 0.00 -0.329 N +ATOM 3250 CB PRO A 363 174.920 193.291 206.249 1.00 0.00 0.037 C +ATOM 3251 CG PRO A 363 174.574 191.865 206.375 1.00 0.00 0.024 C +ATOM 3252 CD PRO A 363 175.608 191.126 205.578 1.00 0.00 0.121 C +ATOM 3253 C GLU A 364 178.750 196.015 203.396 1.00 0.00 0.242 C +ATOM 3254 O GLU A 364 179.195 197.149 203.234 1.00 0.00 -0.273 OA +ATOM 3255 CA GLU A 364 178.681 195.399 204.793 1.00 0.00 0.171 C +ATOM 3256 N GLU A 364 177.678 194.340 204.872 1.00 0.00 -0.344 N +ATOM 3257 CB GLU A 364 180.051 194.859 205.200 1.00 0.00 0.041 C +ATOM 3258 CG GLU A 364 180.127 194.434 206.657 1.00 0.00 0.055 C +ATOM 3259 CD GLU A 364 181.455 193.806 207.021 1.00 0.00 0.041 C +ATOM 3260 OE1 GLU A 364 182.445 194.036 206.295 1.00 0.00 -0.548 OA +ATOM 3261 OE2 GLU A 364 181.506 193.078 208.035 1.00 0.00 -0.549 OA +ATOM 3262 H GLU A 364 178.000 193.564 205.054 1.00 0.00 0.164 HD +ATOM 3263 C LEU A 365 177.436 196.989 200.818 1.00 0.00 0.243 C +ATOM 3264 O LEU A 365 177.662 197.762 199.891 1.00 0.00 -0.272 OA +ATOM 3265 CA LEU A 365 178.304 195.747 201.017 1.00 0.00 0.172 C +ATOM 3266 N LEU A 365 178.297 195.269 202.394 1.00 0.00 -0.345 N +ATOM 3267 CB LEU A 365 177.826 194.639 200.075 1.00 0.00 0.038 C +ATOM 3268 CG LEU A 365 178.645 193.345 200.053 1.00 0.00 -0.015 C +ATOM 3269 CD1 LEU A 365 177.950 192.300 199.195 1.00 0.00 0.007 C +ATOM 3270 CD2 LEU A 365 180.055 193.593 199.553 1.00 0.00 0.007 C +ATOM 3271 H LEU A 365 177.978 194.476 202.486 1.00 0.00 0.165 HD +ATOM 3272 C LEU A 366 175.696 199.434 202.490 1.00 0.00 0.243 C +ATOM 3273 O LEU A 366 174.952 200.409 202.453 1.00 0.00 -0.272 OA +ATOM 3274 CA LEU A 366 175.481 198.263 201.530 1.00 0.00 0.172 C +ATOM 3275 N LEU A 366 176.448 197.179 201.688 1.00 0.00 -0.345 N +ATOM 3276 CB LEU A 366 174.063 197.720 201.713 1.00 0.00 0.038 C +ATOM 3277 CG LEU A 366 173.535 196.778 200.630 1.00 0.00 -0.015 C +ATOM 3278 CD1 LEU A 366 172.232 196.137 201.085 1.00 0.00 0.007 C +ATOM 3279 CD2 LEU A 366 173.331 197.524 199.320 1.00 0.00 0.007 C +ATOM 3280 H LEU A 366 176.315 196.691 202.384 1.00 0.00 0.165 HD +ATOM 3281 C PHE A 367 177.335 201.735 203.795 1.00 0.00 0.243 C +ATOM 3282 O PHE A 367 177.126 202.765 204.434 1.00 0.00 -0.272 OA +ATOM 3283 CA PHE A 367 176.917 200.379 204.365 1.00 0.00 0.175 C +ATOM 3284 N PHE A 367 176.712 199.355 203.341 1.00 0.00 -0.343 N +ATOM 3285 CB PHE A 367 177.958 199.913 205.385 1.00 0.00 0.070 C +ATOM 3286 CG PHE A 367 177.476 198.814 206.303 1.00 0.00 -0.045 A +ATOM 3287 CD1 PHE A 367 176.140 198.443 206.340 1.00 0.00 0.004 A +ATOM 3288 CD2 PHE A 367 178.366 198.159 207.138 1.00 0.00 0.004 A +ATOM 3289 CE1 PHE A 367 175.709 197.443 207.179 1.00 0.00 0.000 A +ATOM 3290 CE2 PHE A 367 177.935 197.157 207.981 1.00 0.00 0.000 A +ATOM 3291 CZ PHE A 367 176.605 196.799 208.003 1.00 0.00 0.000 A +ATOM 3292 H PHE A 367 177.296 198.723 203.348 1.00 0.00 0.164 HD +ATOM 3293 C ASN A 368 177.265 203.370 200.851 1.00 0.00 0.242 C +ATOM 3294 O ASN A 368 177.467 204.332 200.113 1.00 0.00 -0.273 OA +ATOM 3295 CA ASN A 368 178.280 202.985 201.924 1.00 0.00 0.180 C +ATOM 3296 N ASN A 368 177.919 201.739 202.600 1.00 0.00 -0.342 N +ATOM 3297 CB ASN A 368 179.673 202.871 201.296 1.00 0.00 0.134 C +ATOM 3298 CG ASN A 368 180.789 203.107 202.294 1.00 0.00 0.220 C +ATOM 3299 OD1 ASN A 368 180.564 203.134 203.505 1.00 0.00 -0.275 OA +ATOM 3300 ND2 ASN A 368 182.003 203.280 201.787 1.00 0.00 -0.368 N +ATOM 3301 HD22 ASN A 368 182.672 203.418 202.310 1.00 0.00 0.159 HD +ATOM 3302 HD21 ASN A 368 182.121 203.255 200.935 1.00 0.00 0.159 HD +ATOM 3303 H ASN A 368 178.118 201.030 202.156 1.00 0.00 0.164 HD +ATOM 3304 C LYS A 369 173.876 203.390 200.320 1.00 0.00 0.242 C +ATOM 3305 O LYS A 369 173.643 203.320 201.524 1.00 0.00 -0.273 OA +ATOM 3306 CA LYS A 369 175.165 202.829 199.738 1.00 0.00 0.171 C +ATOM 3307 N LYS A 369 176.172 202.618 200.770 1.00 0.00 -0.344 N +ATOM 3308 CB LYS A 369 174.864 201.517 199.010 1.00 0.00 0.035 C +ATOM 3309 CG LYS A 369 176.092 200.801 198.480 1.00 0.00 0.008 C +ATOM 3310 CD LYS A 369 176.810 201.628 197.432 1.00 0.00 0.061 C +ATOM 3311 CE LYS A 369 178.032 200.905 196.899 1.00 0.00 0.258 C +ATOM 3312 NZ LYS A 369 178.765 201.729 195.902 1.00 0.00 -0.357 N +ATOM 3313 HZ1 LYS A 369 179.476 201.285 195.604 1.00 0.00 0.345 HD +ATOM 3314 HZ2 LYS A 369 178.233 201.917 195.213 1.00 0.00 0.345 HD +ATOM 3315 HZ3 LYS A 369 179.035 202.490 196.275 1.00 0.00 0.345 HD +ATOM 3316 H LYS A 369 175.990 201.972 201.307 1.00 0.00 0.164 HD +ATOM 3317 C GLN A 370 170.847 203.038 199.824 1.00 0.00 0.242 C +ATOM 3318 O GLN A 370 170.889 202.262 198.870 1.00 0.00 -0.273 OA +ATOM 3319 CA GLN A 370 171.683 204.304 199.832 1.00 0.00 0.171 C +ATOM 3320 N GLN A 370 173.043 203.955 199.455 1.00 0.00 -0.343 N +ATOM 3321 CB GLN A 370 171.093 205.342 198.883 1.00 0.00 0.045 C +ATOM 3322 CG GLN A 370 171.646 206.743 199.071 1.00 0.00 0.102 C +ATOM 3323 CD GLN A 370 171.139 207.708 198.019 1.00 0.00 0.217 C +ATOM 3324 OE1 GLN A 370 171.234 207.443 196.821 1.00 0.00 -0.275 OA +ATOM 3325 NE2 GLN A 370 170.585 208.830 198.462 1.00 0.00 -0.368 N +ATOM 3326 HE22 GLN A 370 170.529 208.978 199.307 1.00 0.00 0.159 HD +ATOM 3327 HE21 GLN A 370 170.282 209.410 197.903 1.00 0.00 0.159 HD +ATOM 3328 H GLN A 370 173.243 204.147 198.641 1.00 0.00 0.164 HD +ATOM 3329 C PHE A 371 168.405 201.765 202.266 1.00 0.00 0.243 C +ATOM 3330 O PHE A 371 168.829 202.287 203.290 1.00 0.00 -0.272 OA +ATOM 3331 CA PHE A 371 169.305 201.617 201.050 1.00 0.00 0.175 C +ATOM 3332 N PHE A 371 170.089 202.831 200.892 1.00 0.00 -0.343 N +ATOM 3333 CB PHE A 371 170.223 200.400 201.198 1.00 0.00 0.070 C +ATOM 3334 CG PHE A 371 169.509 199.085 201.134 1.00 0.00 -0.045 A +ATOM 3335 CD1 PHE A 371 169.292 198.462 199.919 1.00 0.00 0.004 A +ATOM 3336 CD2 PHE A 371 169.072 198.462 202.286 1.00 0.00 0.004 A +ATOM 3337 CE1 PHE A 371 168.642 197.249 199.858 1.00 0.00 0.000 A +ATOM 3338 CE2 PHE A 371 168.422 197.248 202.228 1.00 0.00 0.000 A +ATOM 3339 CZ PHE A 371 168.207 196.642 201.015 1.00 0.00 0.000 A +ATOM 3340 H PHE A 371 170.012 203.384 201.546 1.00 0.00 0.164 HD +ATOM 3341 C GLN A 372 166.108 200.000 203.930 1.00 0.00 0.242 C +ATOM 3342 O GLN A 372 165.780 199.001 203.292 1.00 0.00 -0.273 OA +ATOM 3343 CA GLN A 372 166.211 201.361 203.250 1.00 0.00 0.171 C +ATOM 3344 N GLN A 372 167.161 201.314 202.144 1.00 0.00 -0.343 N +ATOM 3345 CB GLN A 372 164.833 201.805 202.759 1.00 0.00 0.045 C +ATOM 3346 CG GLN A 372 164.836 203.124 202.023 1.00 0.00 0.102 C +ATOM 3347 CD GLN A 372 165.220 204.287 202.906 1.00 0.00 0.217 C +ATOM 3348 OE1 GLN A 372 164.649 204.485 203.977 1.00 0.00 -0.275 OA +ATOM 3349 NE2 GLN A 372 166.195 205.064 202.464 1.00 0.00 -0.368 N +ATOM 3350 HE22 GLN A 372 166.572 204.893 201.710 1.00 0.00 0.159 HD +ATOM 3351 HE21 GLN A 372 166.451 205.740 202.930 1.00 0.00 0.159 HD +ATOM 3352 H GLN A 372 166.839 200.973 201.424 1.00 0.00 0.164 HD +ATOM 3353 C TYR A 373 164.846 198.595 206.508 1.00 0.00 0.243 C +ATOM 3354 O TYR A 373 164.556 198.773 207.691 1.00 0.00 -0.272 OA +ATOM 3355 CA TYR A 373 166.273 198.744 206.003 1.00 0.00 0.175 C +ATOM 3356 N TYR A 373 166.394 199.970 205.227 1.00 0.00 -0.343 N +ATOM 3357 CB TYR A 373 167.280 198.735 207.151 1.00 0.00 0.070 C +ATOM 3358 CG TYR A 373 168.698 198.709 206.644 1.00 0.00 -0.045 A +ATOM 3359 CD1 TYR A 373 169.215 197.568 206.051 1.00 0.00 0.007 A +ATOM 3360 CD2 TYR A 373 169.507 199.830 206.724 1.00 0.00 0.007 A +ATOM 3361 CE1 TYR A 373 170.503 197.539 205.568 1.00 0.00 0.046 A +ATOM 3362 CE2 TYR A 373 170.797 199.811 206.245 1.00 0.00 0.046 A +ATOM 3363 CZ TYR A 373 171.292 198.664 205.668 1.00 0.00 0.115 A +ATOM 3364 OH TYR A 373 172.579 198.642 205.190 1.00 0.00 -0.507 OA +ATOM 3365 HH TYR A 373 172.753 197.886 204.867 1.00 0.00 0.294 HD +ATOM 3366 H TYR A 373 166.661 200.649 205.682 1.00 0.00 0.164 HD +ATOM 3367 C GLN A 374 161.956 197.330 204.628 1.00 0.00 0.242 C +ATOM 3368 O GLN A 374 162.500 197.418 203.531 1.00 0.00 -0.273 OA +ATOM 3369 CA GLN A 374 162.562 198.019 205.842 1.00 0.00 0.171 C +ATOM 3370 N GLN A 374 163.964 198.279 205.567 1.00 0.00 -0.343 N +ATOM 3371 CB GLN A 374 161.810 199.313 206.163 1.00 0.00 0.045 C +ATOM 3372 CG GLN A 374 161.918 200.390 205.106 1.00 0.00 0.102 C +ATOM 3373 CD GLN A 374 161.023 201.579 205.404 1.00 0.00 0.217 C +ATOM 3374 OE1 GLN A 374 159.799 201.462 205.398 1.00 0.00 -0.275 OA +ATOM 3375 NE2 GLN A 374 161.630 202.729 205.671 1.00 0.00 -0.368 N +ATOM 3376 HE22 GLN A 374 162.489 202.772 205.669 1.00 0.00 0.159 HD +ATOM 3377 HE21 GLN A 374 161.165 203.430 205.845 1.00 0.00 0.159 HD +ATOM 3378 H GLN A 374 164.164 198.208 204.733 1.00 0.00 0.164 HD +ATOM 3379 C ASN A 375 158.688 195.822 203.938 1.00 0.00 0.242 C +ATOM 3380 O ASN A 375 158.194 195.891 205.058 1.00 0.00 -0.273 OA +ATOM 3381 CA ASN A 375 160.192 195.928 203.734 1.00 0.00 0.180 C +ATOM 3382 N ASN A 375 160.844 196.635 204.827 1.00 0.00 -0.342 N +ATOM 3383 CB ASN A 375 160.789 194.528 203.575 1.00 0.00 0.134 C +ATOM 3384 CG ASN A 375 160.394 193.872 202.265 1.00 0.00 0.220 C +ATOM 3385 OD1 ASN A 375 160.473 194.487 201.202 1.00 0.00 -0.275 OA +ATOM 3386 ND2 ASN A 375 159.949 192.624 202.337 1.00 0.00 -0.368 N +ATOM 3387 HD22 ASN A 375 159.713 192.210 201.621 1.00 0.00 0.159 HD +ATOM 3388 HD21 ASN A 375 159.897 192.229 203.099 1.00 0.00 0.159 HD +ATOM 3389 H ASN A 375 160.447 196.557 205.585 1.00 0.00 0.164 HD +ATOM 3390 C ARG A 376 156.225 194.471 201.710 1.00 0.00 0.242 C +ATOM 3391 O ARG A 376 156.577 194.703 200.555 1.00 0.00 -0.273 OA +ATOM 3392 CA ARG A 376 156.539 195.458 202.828 1.00 0.00 0.171 C +ATOM 3393 N ARG A 376 157.978 195.667 202.829 1.00 0.00 -0.344 N +ATOM 3394 CB ARG A 376 155.792 196.780 202.629 1.00 0.00 0.038 C +ATOM 3395 CG ARG A 376 154.296 196.714 202.915 1.00 0.00 0.040 C +ATOM 3396 CD ARG A 376 153.995 196.711 204.408 1.00 0.00 0.197 C +ATOM 3397 NE ARG A 376 154.441 197.938 205.063 1.00 0.00 -0.278 N +ATOM 3398 HE ARG A 376 155.213 197.929 205.441 1.00 0.00 0.260 HD +ATOM 3399 CZ ARG A 376 153.742 199.067 205.118 1.00 0.00 0.339 C +ATOM 3400 NH1 ARG A 376 152.543 199.148 204.554 1.00 0.00 -0.290 N +ATOM 3401 NH2 ARG A 376 154.247 200.124 205.738 1.00 0.00 -0.290 N +ATOM 3402 HH12 ARG A 376 152.211 198.466 204.150 1.00 0.00 0.256 HD +ATOM 3403 HH11 ARG A 376 152.097 199.883 204.594 1.00 0.00 0.256 HD +ATOM 3404 HH22 ARG A 376 155.023 200.077 206.105 1.00 0.00 0.256 HD +ATOM 3405 HH21 ARG A 376 153.797 200.856 205.776 1.00 0.00 0.256 HD +ATOM 3406 H ARG A 376 158.319 195.679 202.040 1.00 0.00 0.164 HD +ATOM 3407 C ILE A 377 154.359 192.652 200.032 1.00 0.00 0.243 C +ATOM 3408 O ILE A 377 153.224 193.038 200.312 1.00 0.00 -0.272 OA +ATOM 3409 CA ILE A 377 155.358 192.275 201.117 1.00 0.00 0.174 C +ATOM 3410 N ILE A 377 155.584 193.364 202.061 1.00 0.00 -0.343 N +ATOM 3411 CB ILE A 377 154.868 191.007 201.845 1.00 0.00 0.018 C +ATOM 3412 CG2 ILE A 377 154.558 189.883 200.852 1.00 0.00 0.010 C +ATOM 3413 CG1 ILE A 377 155.917 190.548 202.862 1.00 0.00 0.002 C +ATOM 3414 CD1 ILE A 377 157.255 190.116 202.248 1.00 0.00 0.004 C +ATOM 3415 H ILE A 377 155.266 193.216 202.847 1.00 0.00 0.164 HD +ATOM 3416 C ALA A 378 153.075 191.704 197.229 1.00 0.00 0.243 C +ATOM 3417 O ALA A 378 153.514 190.557 197.152 1.00 0.00 -0.272 OA +ATOM 3418 CA ALA A 378 153.983 192.859 197.630 1.00 0.00 0.168 C +ATOM 3419 N ALA A 378 154.801 192.519 198.786 1.00 0.00 -0.344 N +ATOM 3420 CB ALA A 378 154.866 193.255 196.469 1.00 0.00 0.041 C +ATOM 3421 H ALA A 378 155.584 192.230 198.582 1.00 0.00 0.164 HD +ATOM 3422 C ALA A 379 151.311 190.326 195.245 1.00 0.00 0.243 C +ATOM 3423 O ALA A 379 151.057 189.143 195.043 1.00 0.00 -0.272 OA +ATOM 3424 CA ALA A 379 150.845 191.011 196.525 1.00 0.00 0.168 C +ATOM 3425 N ALA A 379 151.809 192.013 196.968 1.00 0.00 -0.344 N +ATOM 3426 CB ALA A 379 149.485 191.646 196.313 1.00 0.00 0.041 C +ATOM 3427 H ALA A 379 151.480 192.804 197.041 1.00 0.00 0.164 HD +ATOM 3428 C GLU A 380 153.566 189.500 193.357 1.00 0.00 0.242 C +ATOM 3429 O GLU A 380 153.671 188.507 192.635 1.00 0.00 -0.273 OA +ATOM 3430 CA GLU A 380 152.467 190.521 193.119 1.00 0.00 0.171 C +ATOM 3431 N GLU A 380 151.995 191.072 194.384 1.00 0.00 -0.344 N +ATOM 3432 CB GLU A 380 152.968 191.630 192.199 1.00 0.00 0.041 C +ATOM 3433 CG GLU A 380 151.889 192.614 191.791 1.00 0.00 0.055 C +ATOM 3434 CD GLU A 380 151.880 193.869 192.640 1.00 0.00 0.041 C +ATOM 3435 OE1 GLU A 380 152.345 193.817 193.795 1.00 0.00 -0.548 OA +ATOM 3436 OE2 GLU A 380 151.408 194.912 192.143 1.00 0.00 -0.549 OA +ATOM 3437 H GLU A 380 152.200 191.898 194.508 1.00 0.00 0.164 HD +ATOM 3438 C PHE A 381 154.769 187.522 195.240 1.00 0.00 0.243 C +ATOM 3439 O PHE A 381 155.229 186.431 194.914 1.00 0.00 -0.272 OA +ATOM 3440 CA PHE A 381 155.424 188.817 194.781 1.00 0.00 0.175 C +ATOM 3441 N PHE A 381 154.387 189.756 194.371 1.00 0.00 -0.343 N +ATOM 3442 CB PHE A 381 156.281 189.427 195.895 1.00 0.00 0.070 C +ATOM 3443 CG PHE A 381 157.530 188.650 196.221 1.00 0.00 -0.045 A +ATOM 3444 CD1 PHE A 381 158.298 188.076 195.223 1.00 0.00 0.004 A +ATOM 3445 CD2 PHE A 381 157.958 188.533 197.534 1.00 0.00 0.004 A +ATOM 3446 CE1 PHE A 381 159.453 187.378 195.532 1.00 0.00 0.000 A +ATOM 3447 CE2 PHE A 381 159.110 187.838 197.847 1.00 0.00 0.000 A +ATOM 3448 CZ PHE A 381 159.859 187.261 196.844 1.00 0.00 0.000 A +ATOM 3449 H PHE A 381 154.363 190.475 194.842 1.00 0.00 0.164 HD +ATOM 3450 C ASN A 382 152.408 185.728 195.211 1.00 0.00 0.242 C +ATOM 3451 O ASN A 382 152.615 184.524 195.116 1.00 0.00 -0.273 OA +ATOM 3452 CA ASN A 382 152.900 186.502 196.424 1.00 0.00 0.180 C +ATOM 3453 N ASN A 382 153.686 187.654 195.999 1.00 0.00 -0.342 N +ATOM 3454 CB ASN A 382 151.721 186.949 197.294 1.00 0.00 0.134 C +ATOM 3455 CG ASN A 382 150.917 185.785 197.858 1.00 0.00 0.220 C +ATOM 3456 OD1 ASN A 382 150.724 184.762 197.209 1.00 0.00 -0.275 OA +ATOM 3457 ND2 ASN A 382 150.436 185.952 199.079 1.00 0.00 -0.368 N +ATOM 3458 HD22 ASN A 382 149.974 185.328 199.448 1.00 0.00 0.159 HD +ATOM 3459 HD21 ASN A 382 150.586 186.685 199.503 1.00 0.00 0.159 HD +ATOM 3460 H ASN A 382 153.383 188.407 196.283 1.00 0.00 0.164 HD +ATOM 3461 C THR A 383 152.236 185.052 192.266 1.00 0.00 0.245 C +ATOM 3462 O THR A 383 152.018 183.893 191.915 1.00 0.00 -0.273 OA +ATOM 3463 CA THR A 383 151.204 185.817 193.091 1.00 0.00 0.199 C +ATOM 3464 N THR A 383 151.777 186.434 194.281 1.00 0.00 -0.341 N +ATOM 3465 CB THR A 383 150.537 186.875 192.198 1.00 0.00 0.143 C +ATOM 3466 CG2 THR A 383 149.947 186.248 190.939 1.00 0.00 0.041 C +ATOM 3467 OG1 THR A 383 149.493 187.521 192.934 1.00 0.00 -0.389 OA +ATOM 3468 HG1 THR A 383 149.121 188.103 192.456 1.00 0.00 0.211 HD +ATOM 3469 H THR A 383 151.665 187.286 194.316 1.00 0.00 0.164 HD +ATOM 3470 C LEU A 384 155.001 183.853 191.742 1.00 0.00 0.243 C +ATOM 3471 O LEU A 384 155.609 183.036 191.055 1.00 0.00 -0.272 OA +ATOM 3472 CA LEU A 384 154.357 185.076 191.090 1.00 0.00 0.172 C +ATOM 3473 N LEU A 384 153.358 185.694 191.956 1.00 0.00 -0.345 N +ATOM 3474 CB LEU A 384 155.436 186.094 190.694 1.00 0.00 0.038 C +ATOM 3475 CG LEU A 384 156.455 186.566 191.737 1.00 0.00 -0.015 C +ATOM 3476 CD1 LEU A 384 157.657 185.633 191.824 1.00 0.00 0.007 C +ATOM 3477 CD2 LEU A 384 156.915 187.975 191.412 1.00 0.00 0.007 C +ATOM 3478 H LEU A 384 153.564 186.482 192.232 1.00 0.00 0.165 HD +ATOM 3479 C TYR A 385 154.667 181.358 193.872 1.00 0.00 0.243 C +ATOM 3480 O TYR A 385 155.037 180.419 194.573 1.00 0.00 -0.272 OA +ATOM 3481 CA TYR A 385 155.519 182.626 193.775 1.00 0.00 0.175 C +ATOM 3482 N TYR A 385 154.860 183.717 193.059 1.00 0.00 -0.343 N +ATOM 3483 CB TYR A 385 155.927 183.076 195.179 1.00 0.00 0.070 C +ATOM 3484 CG TYR A 385 157.392 182.829 195.465 1.00 0.00 -0.045 A +ATOM 3485 CD1 TYR A 385 157.894 181.537 195.529 1.00 0.00 0.007 A +ATOM 3486 CD2 TYR A 385 158.274 183.886 195.653 1.00 0.00 0.007 A +ATOM 3487 CE1 TYR A 385 159.227 181.303 195.779 1.00 0.00 0.046 A +ATOM 3488 CE2 TYR A 385 159.611 183.660 195.905 1.00 0.00 0.046 A +ATOM 3489 CZ TYR A 385 160.083 182.365 195.966 1.00 0.00 0.115 A +ATOM 3490 OH TYR A 385 161.415 182.129 196.216 1.00 0.00 -0.507 OA +ATOM 3491 HH TYR A 385 161.823 182.857 196.310 1.00 0.00 0.294 HD +ATOM 3492 H TYR A 385 154.393 184.238 193.559 1.00 0.00 0.164 HD +ATOM 3493 C HIS A 386 153.366 179.082 192.183 1.00 0.00 0.242 C +ATOM 3494 O HIS A 386 152.832 178.797 191.113 1.00 0.00 -0.272 OA +ATOM 3495 CA HIS A 386 152.732 180.101 193.127 1.00 0.00 0.177 C +ATOM 3496 N HIS A 386 153.540 181.317 193.169 1.00 0.00 -0.343 N +ATOM 3497 CB HIS A 386 151.300 180.410 192.694 1.00 0.00 0.093 C +ATOM 3498 CG HIS A 386 150.523 181.194 193.703 1.00 0.00 0.061 A +ATOM 3499 ND1 HIS A 386 149.337 180.746 194.246 1.00 0.00 -0.242 NA +ATOM 3500 CD2 HIS A 386 150.768 182.395 194.277 1.00 0.00 0.107 A +ATOM 3501 CE1 HIS A 386 148.884 181.641 195.105 1.00 0.00 0.196 A +ATOM 3502 NE2 HIS A 386 149.733 182.651 195.142 1.00 0.00 -0.350 N +ATOM 3503 HE2 HIS A 386 149.653 183.355 195.630 1.00 0.00 0.167 HD +ATOM 3504 H HIS A 386 153.223 181.972 192.710 1.00 0.00 0.164 HD +ATOM 3505 C TRP A 387 154.776 176.169 191.939 1.00 0.00 0.242 C +ATOM 3506 O TRP A 387 155.552 175.276 192.267 1.00 0.00 -0.272 OA +ATOM 3507 CA TRP A 387 155.273 177.599 191.776 1.00 0.00 0.175 C +ATOM 3508 N TRP A 387 154.511 178.540 192.594 1.00 0.00 -0.343 N +ATOM 3509 CB TRP A 387 156.759 177.644 192.144 1.00 0.00 0.072 C +ATOM 3510 CG TRP A 387 157.421 178.968 191.967 1.00 0.00 -0.020 A +ATOM 3511 CD1 TRP A 387 156.926 180.059 191.317 1.00 0.00 0.087 A +ATOM 3512 CD2 TRP A 387 158.715 179.341 192.450 1.00 0.00 0.003 A +ATOM 3513 NE1 TRP A 387 157.832 181.090 191.368 1.00 0.00 -0.359 N +ATOM 3514 CE2 TRP A 387 158.940 180.673 192.058 1.00 0.00 0.046 A +ATOM 3515 CE3 TRP A 387 159.706 178.676 193.178 1.00 0.00 0.010 A +ATOM 3516 HE1 TRP A 387 157.722 181.870 191.022 1.00 0.00 0.166 HD +ATOM 3517 CZ2 TRP A 387 160.112 181.353 192.369 1.00 0.00 0.026 A +ATOM 3518 CZ3 TRP A 387 160.867 179.351 193.485 1.00 0.00 0.001 A +ATOM 3519 CH2 TRP A 387 161.062 180.675 193.081 1.00 0.00 0.002 A +ATOM 3520 H TRP A 387 154.873 178.705 193.356 1.00 0.00 0.164 HD +ATOM 3521 C HIS A 388 153.280 173.613 190.796 1.00 0.00 0.242 C +ATOM 3522 O HIS A 388 153.159 172.406 191.000 1.00 0.00 -0.272 OA +ATOM 3523 CA HIS A 388 152.925 174.613 191.906 1.00 0.00 0.177 C +ATOM 3524 N HIS A 388 153.491 175.942 191.709 1.00 0.00 -0.343 N +ATOM 3525 CB HIS A 388 151.411 174.730 192.063 1.00 0.00 0.090 C +ATOM 3526 CG HIS A 388 151.003 175.440 193.315 1.00 0.00 0.037 A +ATOM 3527 ND1 HIS A 388 150.498 176.721 193.315 1.00 0.00 -0.347 N +ATOM 3528 CD2 HIS A 388 151.062 175.059 194.613 1.00 0.00 0.134 A +ATOM 3529 HD1 HIS A 388 150.361 177.202 192.615 1.00 0.00 0.167 HD +ATOM 3530 CE1 HIS A 388 150.248 177.093 194.558 1.00 0.00 0.196 A +ATOM 3531 NE2 HIS A 388 150.580 176.102 195.366 1.00 0.00 -0.245 NA +ATOM 3532 H HIS A 388 152.928 176.534 191.440 1.00 0.00 0.164 HD +ATOM 3533 C PRO A 389 155.538 172.411 189.195 1.00 0.00 0.243 C +ATOM 3534 O PRO A 389 155.950 171.426 188.586 1.00 0.00 -0.271 OA +ATOM 3535 CA PRO A 389 154.293 173.138 188.673 1.00 0.00 0.175 C +ATOM 3536 N PRO A 389 153.719 174.098 189.621 1.00 0.00 -0.329 N +ATOM 3537 CB PRO A 389 154.650 174.014 187.471 1.00 0.00 0.037 C +ATOM 3538 CG PRO A 389 153.665 175.114 187.513 1.00 0.00 0.024 C +ATOM 3539 CD PRO A 389 153.406 175.383 188.967 1.00 0.00 0.121 C +ATOM 3540 C LEU A 390 156.883 170.812 191.365 1.00 0.00 0.243 C +ATOM 3541 O LEU A 390 157.709 169.899 191.378 1.00 0.00 -0.272 OA +ATOM 3542 CA LEU A 390 157.266 172.208 190.902 1.00 0.00 0.172 C +ATOM 3543 N LEU A 390 156.131 172.892 190.283 1.00 0.00 -0.345 N +ATOM 3544 CB LEU A 390 157.794 172.997 192.104 1.00 0.00 0.038 C +ATOM 3545 CG LEU A 390 158.769 174.153 191.881 1.00 0.00 -0.015 C +ATOM 3546 CD1 LEU A 390 159.000 174.875 193.194 1.00 0.00 0.007 C +ATOM 3547 CD2 LEU A 390 160.085 173.650 191.316 1.00 0.00 0.007 C +ATOM 3548 H LEU A 390 155.896 173.615 190.684 1.00 0.00 0.165 HD +ATOM 3549 C LEU A 391 155.139 168.241 191.514 1.00 0.00 0.243 C +ATOM 3550 O LEU A 391 154.721 168.355 190.363 1.00 0.00 -0.272 OA +ATOM 3551 CA LEU A 391 155.183 169.456 192.443 1.00 0.00 0.172 C +ATOM 3552 N LEU A 391 155.625 170.659 191.756 1.00 0.00 -0.345 N +ATOM 3553 CB LEU A 391 153.811 169.695 193.060 1.00 0.00 0.038 C +ATOM 3554 CG LEU A 391 153.748 170.789 194.125 1.00 0.00 -0.015 C +ATOM 3555 CD1 LEU A 391 152.305 171.178 194.400 1.00 0.00 0.007 C +ATOM 3556 CD2 LEU A 391 154.429 170.328 195.407 1.00 0.00 0.007 C +ATOM 3557 H LEU A 391 155.004 171.241 191.633 1.00 0.00 0.165 HD +ATOM 3558 C PRO A 392 154.204 165.198 191.087 1.00 0.00 0.243 C +ATOM 3559 O PRO A 392 153.240 165.707 191.655 1.00 0.00 -0.271 OA +ATOM 3560 CA PRO A 392 155.579 165.850 191.193 1.00 0.00 0.175 C +ATOM 3561 N PRO A 392 155.564 167.066 192.014 1.00 0.00 -0.329 N +ATOM 3562 CB PRO A 392 156.556 164.946 191.943 1.00 0.00 0.037 C +ATOM 3563 CG PRO A 392 156.388 165.338 193.371 1.00 0.00 0.024 C +ATOM 3564 CD PRO A 392 156.048 166.805 193.383 1.00 0.00 0.121 C +ATOM 3565 C ASP A 393 152.664 162.498 191.515 1.00 0.00 0.242 C +ATOM 3566 O ASP A 393 151.546 162.371 192.011 1.00 0.00 -0.273 OA +ATOM 3567 CA ASP A 393 152.872 163.335 190.259 1.00 0.00 0.176 C +ATOM 3568 N ASP A 393 154.119 164.085 190.365 1.00 0.00 -0.343 N +ATOM 3569 CB ASP A 393 152.879 162.441 189.019 1.00 0.00 0.087 C +ATOM 3570 CG ASP A 393 152.957 163.232 187.731 1.00 0.00 0.044 C +ATOM 3571 OD1 ASP A 393 152.315 164.300 187.645 1.00 0.00 -0.548 OA +ATOM 3572 OD2 ASP A 393 153.664 162.787 186.804 1.00 0.00 -0.549 OA +ATOM 3573 H ASP A 393 154.773 163.741 189.924 1.00 0.00 0.164 HD +ATOM 3574 C THR A 394 154.969 161.604 194.094 1.00 0.00 0.245 C +ATOM 3575 O THR A 394 155.959 162.082 193.543 1.00 0.00 -0.273 OA +ATOM 3576 CA THR A 394 153.748 161.204 193.280 1.00 0.00 0.199 C +ATOM 3577 N THR A 394 153.754 161.924 192.013 1.00 0.00 -0.341 N +ATOM 3578 CB THR A 394 153.753 159.674 193.083 1.00 0.00 0.143 C +ATOM 3579 CG2 THR A 394 152.571 159.236 192.235 1.00 0.00 0.041 C +ATOM 3580 OG1 THR A 394 154.973 159.274 192.446 1.00 0.00 -0.389 OA +ATOM 3581 HG1 THR A 394 154.980 158.442 192.336 1.00 0.00 0.211 HD +ATOM 3582 H THR A 394 154.523 161.939 191.629 1.00 0.00 0.164 HD +ATOM 3583 C PHE A 395 156.695 160.368 196.658 1.00 0.00 0.243 C +ATOM 3584 O PHE A 395 156.074 159.475 197.235 1.00 0.00 -0.272 OA +ATOM 3585 CA PHE A 395 156.012 161.677 196.294 1.00 0.00 0.175 C +ATOM 3586 N PHE A 395 154.889 161.411 195.405 1.00 0.00 -0.343 N +ATOM 3587 CB PHE A 395 155.540 162.406 197.552 1.00 0.00 0.070 C +ATOM 3588 CG PHE A 395 154.830 163.694 197.266 1.00 0.00 -0.045 A +ATOM 3589 CD1 PHE A 395 153.475 163.703 196.989 1.00 0.00 0.004 A +ATOM 3590 CD2 PHE A 395 155.518 164.894 197.266 1.00 0.00 0.004 A +ATOM 3591 CE1 PHE A 395 152.819 164.883 196.722 1.00 0.00 0.000 A +ATOM 3592 CE2 PHE A 395 154.864 166.079 196.999 1.00 0.00 0.000 A +ATOM 3593 CZ PHE A 395 153.512 166.073 196.727 1.00 0.00 0.000 A +ATOM 3594 H PHE A 395 154.187 161.122 195.809 1.00 0.00 0.164 HD +ATOM 3595 C GLN A 396 159.658 159.117 197.713 1.00 0.00 0.242 C +ATOM 3596 O GLN A 396 160.744 159.683 197.614 1.00 0.00 -0.273 OA +ATOM 3597 CA GLN A 396 158.722 159.026 196.515 1.00 0.00 0.171 C +ATOM 3598 N GLN A 396 157.974 160.261 196.311 1.00 0.00 -0.343 N +ATOM 3599 CB GLN A 396 159.523 158.676 195.262 1.00 0.00 0.045 C +ATOM 3600 CG GLN A 396 158.659 158.266 194.078 1.00 0.00 0.102 C +ATOM 3601 CD GLN A 396 158.825 159.182 192.881 1.00 0.00 0.217 C +ATOM 3602 OE1 GLN A 396 159.941 159.559 192.521 1.00 0.00 -0.275 OA +ATOM 3603 NE2 GLN A 396 157.711 159.547 192.258 1.00 0.00 -0.368 N +ATOM 3604 HE22 GLN A 396 156.949 159.264 192.539 1.00 0.00 0.159 HD +ATOM 3605 HE21 GLN A 396 157.751 160.066 191.574 1.00 0.00 0.159 HD +ATOM 3606 H GLN A 396 158.433 160.893 195.952 1.00 0.00 0.164 HD +ATOM 3607 C ILE A 397 160.613 157.030 200.128 1.00 0.00 0.243 C +ATOM 3608 O ILE A 397 159.848 156.077 200.262 1.00 0.00 -0.272 OA +ATOM 3609 CA ILE A 397 160.069 158.448 200.029 1.00 0.00 0.174 C +ATOM 3610 N ILE A 397 159.227 158.557 198.840 1.00 0.00 -0.343 N +ATOM 3611 CB ILE A 397 159.307 158.776 201.327 1.00 0.00 0.018 C +ATOM 3612 CG2 ILE A 397 160.292 159.161 202.426 1.00 0.00 0.010 C +ATOM 3613 CG1 ILE A 397 158.268 159.879 201.097 1.00 0.00 0.002 C +ATOM 3614 CD1 ILE A 397 158.845 161.177 200.605 1.00 0.00 0.004 C +ATOM 3615 H ILE A 397 158.439 158.228 198.943 1.00 0.00 0.164 HD +ATOM 3616 C HIS A 398 162.058 154.762 198.905 1.00 0.00 0.242 C +ATOM 3617 O HIS A 398 162.044 155.248 197.775 1.00 0.00 -0.272 OA +ATOM 3618 CA HIS A 398 162.575 155.590 200.089 1.00 0.00 0.177 C +ATOM 3619 N HIS A 398 161.934 156.898 200.067 1.00 0.00 -0.343 N +ATOM 3620 CB HIS A 398 162.323 154.893 201.431 1.00 0.00 0.090 C +ATOM 3621 CG HIS A 398 163.341 153.851 201.774 1.00 0.00 0.037 A +ATOM 3622 ND1 HIS A 398 164.695 154.053 201.616 1.00 0.00 -0.347 N +ATOM 3623 CD2 HIS A 398 163.205 152.601 202.277 1.00 0.00 0.134 A +ATOM 3624 HD1 HIS A 398 165.058 154.771 201.311 1.00 0.00 0.167 HD +ATOM 3625 CE1 HIS A 398 165.349 152.972 202.001 1.00 0.00 0.196 A +ATOM 3626 NE2 HIS A 398 164.468 152.076 202.407 1.00 0.00 -0.245 NA +ATOM 3627 H HIS A 398 162.484 157.556 200.012 1.00 0.00 0.164 HD +ATOM 3628 C ASP A 399 159.583 152.687 198.032 1.00 0.00 0.242 C +ATOM 3629 O ASP A 399 158.958 151.700 197.640 1.00 0.00 -0.273 OA +ATOM 3630 CA ASP A 399 161.113 152.665 198.094 1.00 0.00 0.176 C +ATOM 3631 N ASP A 399 161.629 153.528 199.154 1.00 0.00 -0.343 N +ATOM 3632 CB ASP A 399 161.604 151.229 198.295 1.00 0.00 0.087 C +ATOM 3633 CG ASP A 399 161.319 150.704 199.691 1.00 0.00 0.044 C +ATOM 3634 OD1 ASP A 399 160.663 151.420 200.476 1.00 0.00 -0.548 OA +ATOM 3635 OD2 ASP A 399 161.748 149.572 200.000 1.00 0.00 -0.549 OA +ATOM 3636 H ASP A 399 161.626 153.165 199.934 1.00 0.00 0.164 HD +ATOM 3637 C GLN A 400 157.084 155.160 197.596 1.00 0.00 0.242 C +ATOM 3638 O GLN A 400 157.759 156.181 197.564 1.00 0.00 -0.273 OA +ATOM 3639 CA GLN A 400 157.533 153.959 198.415 1.00 0.00 0.171 C +ATOM 3640 N GLN A 400 158.987 153.813 198.419 1.00 0.00 -0.343 N +ATOM 3641 CB GLN A 400 157.001 154.096 199.841 1.00 0.00 0.045 C +ATOM 3642 CG GLN A 400 157.292 152.900 200.726 1.00 0.00 0.102 C +ATOM 3643 CD GLN A 400 156.127 152.552 201.629 1.00 0.00 0.217 C +ATOM 3644 OE1 GLN A 400 155.020 152.286 201.158 1.00 0.00 -0.275 OA +ATOM 3645 NE2 GLN A 400 156.368 152.557 202.934 1.00 0.00 -0.368 N +ATOM 3646 HE22 GLN A 400 157.153 152.750 203.226 1.00 0.00 0.159 HD +ATOM 3647 HE21 GLN A 400 155.739 152.366 203.488 1.00 0.00 0.159 HD +ATOM 3648 H GLN A 400 159.406 154.513 198.690 1.00 0.00 0.164 HD +ATOM 3649 C LYS A 401 154.053 156.553 197.010 1.00 0.00 0.242 C +ATOM 3650 O LYS A 401 153.342 155.720 197.571 1.00 0.00 -0.273 OA +ATOM 3651 CA LYS A 401 155.289 156.116 196.232 1.00 0.00 0.171 C +ATOM 3652 N LYS A 401 155.941 155.016 196.933 1.00 0.00 -0.344 N +ATOM 3653 CB LYS A 401 154.894 155.707 194.810 1.00 0.00 0.035 C +ATOM 3654 CG LYS A 401 156.021 155.756 193.788 1.00 0.00 0.008 C +ATOM 3655 CD LYS A 401 155.586 155.114 192.476 1.00 0.00 0.061 C +ATOM 3656 CE LYS A 401 156.591 155.347 191.357 1.00 0.00 0.258 C +ATOM 3657 NZ LYS A 401 156.495 156.718 190.782 1.00 0.00 -0.357 N +ATOM 3658 HZ1 LYS A 401 157.095 156.818 190.133 1.00 0.00 0.345 HD +ATOM 3659 HZ2 LYS A 401 155.681 156.851 190.447 1.00 0.00 0.345 HD +ATOM 3660 HZ3 LYS A 401 156.649 157.324 191.415 1.00 0.00 0.345 HD +ATOM 3661 H LYS A 401 155.514 154.272 196.874 1.00 0.00 0.164 HD +ATOM 3662 C TYR A 402 151.923 159.391 196.757 1.00 0.00 0.243 C +ATOM 3663 O TYR A 402 152.540 160.347 196.290 1.00 0.00 -0.272 OA +ATOM 3664 CA TYR A 402 152.614 158.405 197.683 1.00 0.00 0.175 C +ATOM 3665 N TYR A 402 153.810 157.859 197.051 1.00 0.00 -0.343 N +ATOM 3666 CB TYR A 402 152.955 159.109 198.998 1.00 0.00 0.070 C +ATOM 3667 CG TYR A 402 153.558 158.221 200.059 1.00 0.00 -0.045 A +ATOM 3668 CD1 TYR A 402 152.766 157.344 200.788 1.00 0.00 0.007 A +ATOM 3669 CD2 TYR A 402 154.914 158.275 200.347 1.00 0.00 0.007 A +ATOM 3670 CE1 TYR A 402 153.311 156.537 201.764 1.00 0.00 0.046 A +ATOM 3671 CE2 TYR A 402 155.467 157.472 201.322 1.00 0.00 0.046 A +ATOM 3672 CZ TYR A 402 154.659 156.607 202.026 1.00 0.00 0.115 A +ATOM 3673 OH TYR A 402 155.199 155.803 202.999 1.00 0.00 -0.507 OA +ATOM 3674 HH TYR A 402 156.025 155.942 203.060 1.00 0.00 0.294 HD +ATOM 3675 H TYR A 402 154.330 158.457 196.716 1.00 0.00 0.164 HD +ATOM 3676 C ASN A 403 149.440 161.240 196.791 1.00 0.00 0.242 C +ATOM 3677 O ASN A 403 149.778 161.162 197.971 1.00 0.00 -0.273 OA +ATOM 3678 CA ASN A 403 149.834 160.153 195.800 1.00 0.00 0.180 C +ATOM 3679 N ASN A 403 150.642 159.161 196.492 1.00 0.00 -0.342 N +ATOM 3680 CB ASN A 403 148.595 159.519 195.164 1.00 0.00 0.134 C +ATOM 3681 CG ASN A 403 147.719 158.803 196.170 1.00 0.00 0.220 C +ATOM 3682 OD1 ASN A 403 147.122 159.426 197.045 1.00 0.00 -0.275 OA +ATOM 3683 ND2 ASN A 403 147.625 157.484 196.038 1.00 0.00 -0.368 N +ATOM 3684 HD22 ASN A 403 147.140 157.031 196.585 1.00 0.00 0.159 HD +ATOM 3685 HD21 ASN A 403 148.049 157.084 195.406 1.00 0.00 0.159 HD +ATOM 3686 H ASN A 403 150.219 158.442 196.702 1.00 0.00 0.164 HD +ATOM 3687 C TYR A 404 147.429 163.098 198.271 1.00 0.00 0.243 C +ATOM 3688 O TYR A 404 147.528 163.681 199.352 1.00 0.00 -0.272 OA +ATOM 3689 CA TYR A 404 148.408 163.409 197.141 1.00 0.00 0.175 C +ATOM 3690 N TYR A 404 148.721 162.249 196.317 1.00 0.00 -0.343 N +ATOM 3691 CB TYR A 404 147.857 164.532 196.264 1.00 0.00 0.070 C +ATOM 3692 CG TYR A 404 148.938 165.236 195.486 1.00 0.00 -0.045 A +ATOM 3693 CD1 TYR A 404 149.530 164.631 194.388 1.00 0.00 0.007 A +ATOM 3694 CD2 TYR A 404 149.383 166.495 195.861 1.00 0.00 0.007 A +ATOM 3695 CE1 TYR A 404 150.524 165.263 193.680 1.00 0.00 0.046 A +ATOM 3696 CE2 TYR A 404 150.378 167.136 195.156 1.00 0.00 0.046 A +ATOM 3697 CZ TYR A 404 150.944 166.513 194.067 1.00 0.00 0.115 A +ATOM 3698 OH TYR A 404 151.935 167.141 193.357 1.00 0.00 -0.507 OA +ATOM 3699 HH TYR A 404 152.187 166.653 192.723 1.00 0.00 0.294 HD +ATOM 3700 H TYR A 404 148.402 162.287 195.519 1.00 0.00 0.164 HD +ATOM 3701 C GLN A 405 146.246 161.160 200.243 1.00 0.00 0.242 C +ATOM 3702 O GLN A 405 145.857 161.368 201.391 1.00 0.00 -0.273 OA +ATOM 3703 CA GLN A 405 145.533 161.793 199.053 1.00 0.00 0.171 C +ATOM 3704 N GLN A 405 146.493 162.188 198.026 1.00 0.00 -0.343 N +ATOM 3705 CB GLN A 405 144.498 160.819 198.486 1.00 0.00 0.045 C +ATOM 3706 CG GLN A 405 143.546 161.440 197.481 1.00 0.00 0.102 C +ATOM 3707 CD GLN A 405 142.520 160.451 196.965 1.00 0.00 0.217 C +ATOM 3708 OE1 GLN A 405 142.868 159.400 196.426 1.00 0.00 -0.275 OA +ATOM 3709 NE2 GLN A 405 141.244 160.780 197.132 1.00 0.00 -0.368 N +ATOM 3710 HE22 GLN A 405 141.038 161.522 197.517 1.00 0.00 0.159 HD +ATOM 3711 HE21 GLN A 405 140.624 160.252 196.857 1.00 0.00 0.159 HD +ATOM 3712 H GLN A 405 146.392 161.783 197.274 1.00 0.00 0.164 HD +ATOM 3713 C GLN A 406 149.043 160.635 201.698 1.00 0.00 0.242 C +ATOM 3714 O GLN A 406 149.357 160.445 202.873 1.00 0.00 -0.273 OA +ATOM 3715 CA GLN A 406 148.055 159.708 200.993 1.00 0.00 0.171 C +ATOM 3716 N GLN A 406 147.292 160.393 199.957 1.00 0.00 -0.343 N +ATOM 3717 CB GLN A 406 148.821 158.529 200.393 1.00 0.00 0.045 C +ATOM 3718 CG GLN A 406 147.954 157.475 199.736 1.00 0.00 0.102 C +ATOM 3719 CD GLN A 406 148.773 156.440 198.993 1.00 0.00 0.217 C +ATOM 3720 OE1 GLN A 406 149.149 156.641 197.839 1.00 0.00 -0.275 OA +ATOM 3721 NE2 GLN A 406 149.062 155.327 199.656 1.00 0.00 -0.368 N +ATOM 3722 HE22 GLN A 406 148.786 155.224 200.464 1.00 0.00 0.159 HD +ATOM 3723 HE21 GLN A 406 149.524 154.709 199.278 1.00 0.00 0.159 HD +ATOM 3724 H GLN A 406 147.584 160.252 199.160 1.00 0.00 0.164 HD +ATOM 3725 C PHE A 407 150.255 163.626 202.269 1.00 0.00 0.243 C +ATOM 3726 O PHE A 407 150.936 163.969 203.232 1.00 0.00 -0.272 OA +ATOM 3727 CA PHE A 407 150.666 162.428 201.416 1.00 0.00 0.175 C +ATOM 3728 N PHE A 407 149.530 161.633 200.970 1.00 0.00 -0.343 N +ATOM 3729 CB PHE A 407 151.463 162.904 200.198 1.00 0.00 0.070 C +ATOM 3730 CG PHE A 407 152.806 163.488 200.536 1.00 0.00 -0.045 A +ATOM 3731 CD1 PHE A 407 153.808 162.693 201.065 1.00 0.00 0.004 A +ATOM 3732 CD2 PHE A 407 153.071 164.827 200.304 1.00 0.00 0.004 A +ATOM 3733 CE1 PHE A 407 155.043 163.225 201.368 1.00 0.00 0.000 A +ATOM 3734 CE2 PHE A 407 154.308 165.363 200.604 1.00 0.00 0.000 A +ATOM 3735 CZ PHE A 407 155.293 164.561 201.137 1.00 0.00 0.000 A +ATOM 3736 H PHE A 407 149.216 161.872 200.206 1.00 0.00 0.164 HD +ATOM 3737 C ILE A 408 148.157 165.227 203.981 1.00 0.00 0.243 C +ATOM 3738 O ILE A 408 147.380 164.298 204.193 1.00 0.00 -0.272 OA +ATOM 3739 CA ILE A 408 148.720 165.488 202.580 1.00 0.00 0.174 C +ATOM 3740 N ILE A 408 149.138 164.254 201.922 1.00 0.00 -0.343 N +ATOM 3741 CB ILE A 408 147.685 166.238 201.707 1.00 0.00 0.018 C +ATOM 3742 CG2 ILE A 408 147.022 167.372 202.479 1.00 0.00 0.010 C +ATOM 3743 CG1 ILE A 408 148.387 166.776 200.454 1.00 0.00 0.002 C +ATOM 3744 CD1 ILE A 408 147.506 167.580 199.518 1.00 0.00 0.004 C +ATOM 3745 H ILE A 408 148.602 163.985 201.305 1.00 0.00 0.164 HD +ATOM 3746 C TYR A 409 148.571 164.657 206.988 1.00 0.00 0.243 C +ATOM 3747 O TYR A 409 148.057 164.302 208.048 1.00 0.00 -0.272 OA +ATOM 3748 CA TYR A 409 148.168 165.979 206.335 1.00 0.00 0.175 C +ATOM 3749 N TYR A 409 148.575 166.066 204.928 1.00 0.00 -0.343 N +ATOM 3750 CB TYR A 409 146.655 166.190 206.475 1.00 0.00 0.070 C +ATOM 3751 CG TYR A 409 146.231 167.631 206.328 1.00 0.00 -0.045 A +ATOM 3752 CD1 TYR A 409 146.728 168.608 207.178 1.00 0.00 0.007 A +ATOM 3753 CD2 TYR A 409 145.326 168.011 205.350 1.00 0.00 0.007 A +ATOM 3754 CE1 TYR A 409 146.346 169.926 207.050 1.00 0.00 0.046 A +ATOM 3755 CE2 TYR A 409 144.938 169.328 205.213 1.00 0.00 0.046 A +ATOM 3756 CZ TYR A 409 145.451 170.281 206.067 1.00 0.00 0.115 A +ATOM 3757 OH TYR A 409 145.066 171.593 205.937 1.00 0.00 -0.507 OA +ATOM 3758 HH TYR A 409 144.520 171.671 205.303 1.00 0.00 0.294 HD +ATOM 3759 H TYR A 409 149.115 166.718 204.776 1.00 0.00 0.164 HD +ATOM 3760 C ASN A 410 151.337 162.691 207.499 1.00 0.00 0.242 C +ATOM 3761 O ASN A 410 152.335 162.360 206.859 1.00 0.00 -0.273 OA +ATOM 3762 CA ASN A 410 149.945 162.649 206.860 1.00 0.00 0.180 C +ATOM 3763 N ASN A 410 149.514 163.952 206.371 1.00 0.00 -0.342 N +ATOM 3764 CB ASN A 410 149.920 161.633 205.714 1.00 0.00 0.134 C +ATOM 3765 CG ASN A 410 149.886 160.207 206.210 1.00 0.00 0.220 C +ATOM 3766 OD1 ASN A 410 150.332 159.919 207.313 1.00 0.00 -0.275 OA +ATOM 3767 ND2 ASN A 410 149.353 159.304 205.398 1.00 0.00 -0.368 N +ATOM 3768 HD22 ASN A 410 149.044 159.531 204.629 1.00 0.00 0.159 HD +ATOM 3769 HD21 ASN A 410 149.309 158.318 205.693 1.00 0.00 0.159 HD +ATOM 3770 H ASN A 410 149.923 164.210 205.659 1.00 0.00 0.164 HD +ATOM 3771 C ASN A 411 153.147 161.755 209.913 1.00 0.00 0.242 C +ATOM 3772 O ASN A 411 154.275 161.602 210.382 1.00 0.00 -0.273 OA +ATOM 3773 CA ASN A 411 152.670 163.140 209.487 1.00 0.00 0.180 C +ATOM 3774 N ASN A 411 151.400 163.091 208.766 1.00 0.00 -0.342 N +ATOM 3775 CB ASN A 411 152.558 164.042 210.718 1.00 0.00 0.134 C +ATOM 3776 CG ASN A 411 152.507 165.518 210.363 1.00 0.00 0.220 C +ATOM 3777 OD1 ASN A 411 153.014 165.941 209.323 1.00 0.00 -0.275 OA +ATOM 3778 ND2 ASN A 411 151.900 166.311 211.237 1.00 0.00 -0.368 N +ATOM 3779 HD22 ASN A 411 151.843 167.156 211.084 1.00 0.00 0.159 HD +ATOM 3780 HD21 ASN A 411 151.562 165.981 211.956 1.00 0.00 0.159 HD +ATOM 3781 H ASN A 411 150.721 163.340 209.232 1.00 0.00 0.164 HD +ATOM 3782 C SER A 412 153.786 158.949 209.054 1.00 0.00 0.244 C +ATOM 3783 O SER A 412 154.635 158.120 209.381 1.00 0.00 -0.272 OA +ATOM 3784 CA SER A 412 152.692 159.374 210.030 1.00 0.00 0.197 C +ATOM 3785 N SER A 412 152.293 160.749 209.757 1.00 0.00 -0.342 N +ATOM 3786 CB SER A 412 151.496 158.425 209.935 1.00 0.00 0.191 C +ATOM 3787 OG SER A 412 151.913 157.074 210.009 1.00 0.00 -0.392 OA +ATOM 3788 HG SER A 412 152.439 156.901 209.377 1.00 0.00 0.210 HD +ATOM 3789 H SER A 412 151.478 160.836 209.495 1.00 0.00 0.164 HD +ATOM 3790 C ILE A 413 156.126 159.790 207.369 1.00 0.00 0.243 C +ATOM 3791 O ILE A 413 157.173 159.186 207.137 1.00 0.00 -0.272 OA +ATOM 3792 CA ILE A 413 154.792 159.256 206.866 1.00 0.00 0.174 C +ATOM 3793 N ILE A 413 153.760 159.523 207.855 1.00 0.00 -0.343 N +ATOM 3794 CB ILE A 413 154.452 159.891 205.498 1.00 0.00 0.018 C +ATOM 3795 CG2 ILE A 413 155.605 159.697 204.509 1.00 0.00 0.010 C +ATOM 3796 CG1 ILE A 413 153.163 159.276 204.942 1.00 0.00 0.002 C +ATOM 3797 CD1 ILE A 413 152.708 159.849 203.609 1.00 0.00 0.004 C +ATOM 3798 H ILE A 413 153.152 160.072 207.591 1.00 0.00 0.164 HD +ATOM 3799 C LEU A 414 157.960 160.711 209.649 1.00 0.00 0.243 C +ATOM 3800 O LEU A 414 159.177 160.538 209.648 1.00 0.00 -0.272 OA +ATOM 3801 CA LEU A 414 157.296 161.552 208.564 1.00 0.00 0.172 C +ATOM 3802 N LEU A 414 156.082 160.920 208.066 1.00 0.00 -0.345 N +ATOM 3803 CB LEU A 414 156.989 162.953 209.100 1.00 0.00 0.038 C +ATOM 3804 CG LEU A 414 158.210 163.816 209.433 1.00 0.00 -0.015 C +ATOM 3805 CD1 LEU A 414 159.024 164.112 208.182 1.00 0.00 0.007 C +ATOM 3806 CD2 LEU A 414 157.788 165.108 210.113 1.00 0.00 0.007 C +ATOM 3807 H LEU A 414 155.359 161.341 208.265 1.00 0.00 0.165 HD +ATOM 3808 C LEU A 415 158.115 157.987 211.140 1.00 0.00 0.243 C +ATOM 3809 O LEU A 415 159.084 157.408 211.624 1.00 0.00 -0.272 OA +ATOM 3810 CA LEU A 415 157.697 159.359 211.654 1.00 0.00 0.172 C +ATOM 3811 N LEU A 415 157.164 160.190 210.579 1.00 0.00 -0.345 N +ATOM 3812 CB LEU A 415 156.672 159.191 212.775 1.00 0.00 0.038 C +ATOM 3813 CG LEU A 415 156.200 160.451 213.501 1.00 0.00 -0.015 C +ATOM 3814 CD1 LEU A 415 155.294 160.058 214.653 1.00 0.00 0.007 C +ATOM 3815 CD2 LEU A 415 157.373 161.281 213.998 1.00 0.00 0.007 C +ATOM 3816 H LEU A 415 156.312 160.303 210.609 1.00 0.00 0.165 HD +ATOM 3817 C GLU A 416 159.052 156.103 208.983 1.00 0.00 0.242 C +ATOM 3818 O GLU A 416 159.810 155.170 209.243 1.00 0.00 -0.273 OA +ATOM 3819 CA GLU A 416 157.654 156.162 209.592 1.00 0.00 0.171 C +ATOM 3820 N GLU A 416 157.374 157.474 210.164 1.00 0.00 -0.344 N +ATOM 3821 CB GLU A 416 156.606 155.812 208.531 1.00 0.00 0.041 C +ATOM 3822 CG GLU A 416 156.835 154.474 207.839 1.00 0.00 0.055 C +ATOM 3823 CD GLU A 416 155.830 154.203 206.737 1.00 0.00 0.041 C +ATOM 3824 OE1 GLU A 416 154.941 155.052 206.516 1.00 0.00 -0.548 OA +ATOM 3825 OE2 GLU A 416 155.930 153.140 206.090 1.00 0.00 -0.549 OA +ATOM 3826 H GLU A 416 156.696 157.870 209.812 1.00 0.00 0.164 HD +ATOM 3827 C HIS A 417 161.754 157.889 208.193 1.00 0.00 0.242 C +ATOM 3828 O HIS A 417 162.935 157.565 208.073 1.00 0.00 -0.272 OA +ATOM 3829 CA HIS A 417 160.660 157.119 207.456 1.00 0.00 0.177 C +ATOM 3830 N HIS A 417 159.391 157.106 208.178 1.00 0.00 -0.343 N +ATOM 3831 CB HIS A 417 160.460 157.715 206.064 1.00 0.00 0.090 C +ATOM 3832 CG HIS A 417 159.618 156.866 205.165 1.00 0.00 0.037 A +ATOM 3833 ND1 HIS A 417 160.147 155.867 204.377 1.00 0.00 -0.347 N +ATOM 3834 CD2 HIS A 417 158.284 156.860 204.935 1.00 0.00 0.134 A +ATOM 3835 HD1 HIS A 417 160.980 155.657 204.333 1.00 0.00 0.167 HD +ATOM 3836 CE1 HIS A 417 159.176 155.286 203.697 1.00 0.00 0.196 A +ATOM 3837 NE2 HIS A 417 158.036 155.868 204.019 1.00 0.00 -0.245 NA +ATOM 3838 H HIS A 417 158.900 157.796 208.032 1.00 0.00 0.164 HD +ATOM 3839 C GLY A 418 162.873 160.828 208.774 1.00 0.00 0.239 C +ATOM 3840 O GLY A 418 162.733 160.772 207.552 1.00 0.00 -0.273 OA +ATOM 3841 CA GLY A 418 162.313 159.735 209.666 1.00 0.00 0.216 C +ATOM 3842 N GLY A 418 161.359 158.906 208.951 1.00 0.00 -0.346 N +ATOM 3843 H GLY A 418 160.539 159.136 209.067 1.00 0.00 0.164 HD +ATOM 3844 C ILE A 419 165.139 162.596 207.703 1.00 0.00 0.243 C +ATOM 3845 O ILE A 419 165.184 163.065 206.568 1.00 0.00 -0.272 OA +ATOM 3846 CA ILE A 419 164.005 162.983 208.649 1.00 0.00 0.174 C +ATOM 3847 N ILE A 419 163.508 161.823 209.384 1.00 0.00 -0.343 N +ATOM 3848 CB ILE A 419 164.504 164.094 209.601 1.00 0.00 0.018 C +ATOM 3849 CG2 ILE A 419 165.040 165.287 208.804 1.00 0.00 0.010 C +ATOM 3850 CG1 ILE A 419 163.390 164.534 210.564 1.00 0.00 0.002 C +ATOM 3851 CD1 ILE A 419 162.347 165.457 209.965 1.00 0.00 0.004 C +ATOM 3852 H ILE A 419 163.666 161.851 210.229 1.00 0.00 0.164 HD +ATOM 3853 C THR A 420 166.757 160.795 206.022 1.00 0.00 0.245 C +ATOM 3854 O THR A 420 167.273 161.210 204.985 1.00 0.00 -0.273 OA +ATOM 3855 CA THR A 420 167.199 161.331 207.377 1.00 0.00 0.199 C +ATOM 3856 N THR A 420 166.052 161.753 208.177 1.00 0.00 -0.341 N +ATOM 3857 CB THR A 420 168.027 160.247 208.098 1.00 0.00 0.143 C +ATOM 3858 CG2 THR A 420 169.221 159.812 207.248 1.00 0.00 0.041 C +ATOM 3859 OG1 THR A 420 168.502 160.758 209.349 1.00 0.00 -0.389 OA +ATOM 3860 HG1 THR A 420 168.986 161.433 209.219 1.00 0.00 0.211 HD +ATOM 3861 H THR A 420 166.031 161.409 208.965 1.00 0.00 0.164 HD +ATOM 3862 C GLN A 421 164.606 160.345 203.937 1.00 0.00 0.242 C +ATOM 3863 O GLN A 421 164.733 160.331 202.713 1.00 0.00 -0.273 OA +ATOM 3864 CA GLN A 421 165.287 159.291 204.801 1.00 0.00 0.171 C +ATOM 3865 N GLN A 421 165.796 159.877 206.035 1.00 0.00 -0.343 N +ATOM 3866 CB GLN A 421 164.309 158.156 205.103 1.00 0.00 0.045 C +ATOM 3867 CG GLN A 421 163.839 157.410 203.863 1.00 0.00 0.102 C +ATOM 3868 CD GLN A 421 164.947 156.601 203.223 1.00 0.00 0.217 C +ATOM 3869 OE1 GLN A 421 165.334 156.849 202.080 1.00 0.00 -0.275 OA +ATOM 3870 NE2 GLN A 421 165.466 155.624 203.959 1.00 0.00 -0.368 N +ATOM 3871 HE22 GLN A 421 165.170 155.480 204.753 1.00 0.00 0.159 HD +ATOM 3872 HE21 GLN A 421 166.098 155.135 203.640 1.00 0.00 0.159 HD +ATOM 3873 H GLN A 421 165.420 159.576 206.748 1.00 0.00 0.164 HD +ATOM 3874 C PHE A 422 164.197 163.163 203.072 1.00 0.00 0.243 C +ATOM 3875 O PHE A 422 163.975 163.467 201.903 1.00 0.00 -0.272 OA +ATOM 3876 CA PHE A 422 163.199 162.327 203.861 1.00 0.00 0.175 C +ATOM 3877 N PHE A 422 163.877 161.253 204.577 1.00 0.00 -0.343 N +ATOM 3878 CB PHE A 422 162.418 163.214 204.830 1.00 0.00 0.070 C +ATOM 3879 CG PHE A 422 160.938 162.980 204.801 1.00 0.00 -0.045 A +ATOM 3880 CD1 PHE A 422 160.402 161.791 205.263 1.00 0.00 0.004 A +ATOM 3881 CD2 PHE A 422 160.081 163.951 204.315 1.00 0.00 0.004 A +ATOM 3882 CE1 PHE A 422 159.038 161.573 205.236 1.00 0.00 0.000 A +ATOM 3883 CE2 PHE A 422 158.718 163.740 204.288 1.00 0.00 0.000 A +ATOM 3884 CZ PHE A 422 158.195 162.550 204.749 1.00 0.00 0.000 A +ATOM 3885 H PHE A 422 163.760 161.270 205.429 1.00 0.00 0.164 HD +ATOM 3886 C VAL A 423 166.935 163.487 201.904 1.00 0.00 0.243 C +ATOM 3887 O VAL A 423 167.059 163.995 200.791 1.00 0.00 -0.272 OA +ATOM 3888 CA VAL A 423 166.352 164.288 203.062 1.00 0.00 0.173 C +ATOM 3889 N VAL A 423 165.301 163.522 203.717 1.00 0.00 -0.343 N +ATOM 3890 CB VAL A 423 167.471 164.672 204.055 1.00 0.00 0.015 C +ATOM 3891 CG1 VAL A 423 168.631 165.357 203.337 1.00 0.00 0.010 C +ATOM 3892 CG2 VAL A 423 166.918 165.576 205.144 1.00 0.00 0.010 C +ATOM 3893 H VAL A 423 165.466 163.333 204.540 1.00 0.00 0.164 HD +ATOM 3894 C GLU A 424 166.938 161.218 199.947 1.00 0.00 0.242 C +ATOM 3895 O GLU A 424 167.399 161.176 198.807 1.00 0.00 -0.273 OA +ATOM 3896 CA GLU A 424 167.859 161.356 201.157 1.00 0.00 0.171 C +ATOM 3897 N GLU A 424 167.287 162.234 202.174 1.00 0.00 -0.344 N +ATOM 3898 CB GLU A 424 168.147 159.972 201.748 1.00 0.00 0.041 C +ATOM 3899 CG GLU A 424 169.292 159.950 202.752 1.00 0.00 0.055 C +ATOM 3900 CD GLU A 424 169.492 158.584 203.388 1.00 0.00 0.041 C +ATOM 3901 OE1 GLU A 424 168.698 157.663 203.099 1.00 0.00 -0.548 OA +ATOM 3902 OE2 GLU A 424 170.446 158.432 204.180 1.00 0.00 -0.549 OA +ATOM 3903 H GLU A 424 167.205 161.865 202.946 1.00 0.00 0.164 HD +ATOM 3904 C SER A 425 164.357 162.225 198.360 1.00 0.00 0.244 C +ATOM 3905 O SER A 425 164.320 162.206 197.131 1.00 0.00 -0.272 OA +ATOM 3906 CA SER A 425 164.654 160.947 199.147 1.00 0.00 0.197 C +ATOM 3907 N SER A 425 165.636 161.160 200.203 1.00 0.00 -0.342 N +ATOM 3908 CB SER A 425 163.361 160.390 199.742 1.00 0.00 0.191 C +ATOM 3909 OG SER A 425 163.584 159.133 200.358 1.00 0.00 -0.392 OA +ATOM 3910 HG SER A 425 164.147 159.211 200.975 1.00 0.00 0.210 HD +ATOM 3911 H SER A 425 165.293 161.241 200.987 1.00 0.00 0.164 HD +ATOM 3912 C PHE A 426 165.011 165.131 197.623 1.00 0.00 0.243 C +ATOM 3913 O PHE A 426 164.823 165.821 196.625 1.00 0.00 -0.272 OA +ATOM 3914 CA PHE A 426 163.831 164.603 198.424 1.00 0.00 0.175 C +ATOM 3915 N PHE A 426 164.139 163.328 199.069 1.00 0.00 -0.343 N +ATOM 3916 CB PHE A 426 163.410 165.652 199.459 1.00 0.00 0.070 C +ATOM 3917 CG PHE A 426 162.026 165.449 200.019 1.00 0.00 -0.045 A +ATOM 3918 CD1 PHE A 426 161.234 164.387 199.613 1.00 0.00 0.004 A +ATOM 3919 CD2 PHE A 426 161.514 166.336 200.949 1.00 0.00 0.004 A +ATOM 3920 CE1 PHE A 426 159.966 164.211 200.129 1.00 0.00 0.000 A +ATOM 3921 CE2 PHE A 426 160.245 166.165 201.468 1.00 0.00 0.000 A +ATOM 3922 CZ PHE A 426 159.471 165.100 201.056 1.00 0.00 0.000 A +ATOM 3923 H PHE A 426 164.163 163.366 199.928 1.00 0.00 0.164 HD +ATOM 3924 C THR A 427 167.497 164.598 195.968 1.00 0.00 0.245 C +ATOM 3925 O THR A 427 167.976 165.210 195.014 1.00 0.00 -0.273 OA +ATOM 3926 CA THR A 427 167.421 165.244 197.349 1.00 0.00 0.199 C +ATOM 3927 N THR A 427 166.225 164.811 198.058 1.00 0.00 -0.341 N +ATOM 3928 CB THR A 427 168.698 164.900 198.137 1.00 0.00 0.143 C +ATOM 3929 CG2 THR A 427 169.936 165.472 197.451 1.00 0.00 0.041 C +ATOM 3930 OG1 THR A 427 168.602 165.435 199.463 1.00 0.00 -0.389 OA +ATOM 3931 HG1 THR A 427 167.937 165.107 199.858 1.00 0.00 0.211 HD +ATOM 3932 H THR A 427 166.382 164.343 198.762 1.00 0.00 0.164 HD +ATOM 3933 C ARG A 428 165.929 162.761 193.701 1.00 0.00 0.242 C +ATOM 3934 O ARG A 428 166.033 162.465 192.511 1.00 0.00 -0.273 OA +ATOM 3935 CA ARG A 428 167.121 162.582 194.641 1.00 0.00 0.171 C +ATOM 3936 N ARG A 428 167.011 163.364 195.870 1.00 0.00 -0.344 N +ATOM 3937 CB ARG A 428 167.275 161.096 194.976 1.00 0.00 0.038 C +ATOM 3938 CG ARG A 428 168.577 160.745 195.684 1.00 0.00 0.040 C +ATOM 3939 CD ARG A 428 168.615 159.273 196.057 1.00 0.00 0.197 C +ATOM 3940 NE ARG A 428 167.565 158.929 197.019 1.00 0.00 -0.278 N +ATOM 3941 HE ARG A 428 167.423 159.481 197.663 1.00 0.00 0.260 HD +ATOM 3942 CZ ARG A 428 166.814 157.831 196.977 1.00 0.00 0.339 C +ATOM 3943 NH1 ARG A 428 166.972 156.931 196.014 1.00 0.00 -0.290 N +ATOM 3944 NH2 ARG A 428 165.892 157.630 197.909 1.00 0.00 -0.290 N +ATOM 3945 HH12 ARG A 428 167.567 157.053 195.405 1.00 0.00 0.256 HD +ATOM 3946 HH11 ARG A 428 166.479 156.227 195.999 1.00 0.00 0.256 HD +ATOM 3947 HH22 ARG A 428 165.782 158.207 198.537 1.00 0.00 0.256 HD +ATOM 3948 HH21 ARG A 428 165.404 156.922 197.886 1.00 0.00 0.256 HD +ATOM 3949 H ARG A 428 166.609 162.953 196.508 1.00 0.00 0.164 HD +ATOM 3950 C GLN A 429 163.593 164.749 192.700 1.00 0.00 0.242 C +ATOM 3951 O GLN A 429 163.823 165.786 193.317 1.00 0.00 -0.273 OA +ATOM 3952 CA GLN A 429 163.604 163.401 193.407 1.00 0.00 0.171 C +ATOM 3953 N GLN A 429 164.801 163.233 194.228 1.00 0.00 -0.343 N +ATOM 3954 CB GLN A 429 162.334 163.254 194.247 1.00 0.00 0.045 C +ATOM 3955 CG GLN A 429 161.067 163.536 193.444 1.00 0.00 0.102 C +ATOM 3956 CD GLN A 429 159.837 162.843 193.996 1.00 0.00 0.217 C +ATOM 3957 OE1 GLN A 429 159.827 162.373 195.132 1.00 0.00 -0.275 OA +ATOM 3958 NE2 GLN A 429 158.789 162.775 193.184 1.00 0.00 -0.368 N +ATOM 3959 HE22 GLN A 429 158.833 163.113 192.395 1.00 0.00 0.159 HD +ATOM 3960 HE21 GLN A 429 158.065 162.392 193.447 1.00 0.00 0.159 HD +ATOM 3961 H GLN A 429 164.703 163.461 195.051 1.00 0.00 0.164 HD +ATOM 3962 C ILE A 430 161.996 166.683 190.698 1.00 0.00 0.243 C +ATOM 3963 O ILE A 430 160.930 166.084 190.831 1.00 0.00 -0.272 OA +ATOM 3964 CA ILE A 430 163.312 165.917 190.573 1.00 0.00 0.174 C +ATOM 3965 N ILE A 430 163.308 164.720 191.404 1.00 0.00 -0.343 N +ATOM 3966 CB ILE A 430 163.566 165.549 189.086 1.00 0.00 0.018 C +ATOM 3967 CG2 ILE A 430 162.382 164.779 188.498 1.00 0.00 0.010 C +ATOM 3968 CG1 ILE A 430 163.871 166.793 188.251 1.00 0.00 0.002 C +ATOM 3969 CD1 ILE A 430 165.263 167.315 188.425 1.00 0.00 0.004 C +ATOM 3970 H ILE A 430 163.106 164.003 190.973 1.00 0.00 0.164 HD +ATOM 3971 C ALA A 431 160.503 169.166 189.199 1.00 0.00 0.243 C +ATOM 3972 O ALA A 431 161.244 168.859 188.268 1.00 0.00 -0.272 OA +ATOM 3973 CA ALA A 431 160.897 168.861 190.641 1.00 0.00 0.168 C +ATOM 3974 N ALA A 431 162.082 168.010 190.664 1.00 0.00 -0.344 N +ATOM 3975 CB ALA A 431 161.147 170.148 191.406 1.00 0.00 0.041 C +ATOM 3976 H ALA A 431 162.823 168.445 190.654 1.00 0.00 0.164 HD +ATOM 3977 C GLY A 432 159.213 171.499 187.270 1.00 0.00 0.239 C +ATOM 3978 O GLY A 432 159.466 172.367 188.105 1.00 0.00 -0.273 OA +ATOM 3979 CA GLY A 432 158.837 170.094 187.696 1.00 0.00 0.216 C +ATOM 3980 N GLY A 432 159.333 169.768 189.021 1.00 0.00 -0.346 N +ATOM 3981 H GLY A 432 158.804 170.000 189.659 1.00 0.00 0.164 HD +ATOM 3982 C ARG A 433 158.387 173.980 185.582 1.00 0.00 0.242 C +ATOM 3983 O ARG A 433 157.234 173.582 185.426 1.00 0.00 -0.273 OA +ATOM 3984 CA ARG A 433 159.565 173.027 185.398 1.00 0.00 0.171 C +ATOM 3985 N ARG A 433 159.246 171.720 185.960 1.00 0.00 -0.344 N +ATOM 3986 CB ARG A 433 159.922 172.887 183.918 1.00 0.00 0.038 C +ATOM 3987 CG ARG A 433 160.640 174.081 183.320 1.00 0.00 0.040 C +ATOM 3988 CD ARG A 433 160.985 173.818 181.865 1.00 0.00 0.197 C +ATOM 3989 NE ARG A 433 162.035 174.705 181.373 1.00 0.00 -0.278 N +ATOM 3990 HE ARG A 433 162.300 175.340 181.890 1.00 0.00 0.260 HD +ATOM 3991 CZ ARG A 433 162.607 174.596 180.179 1.00 0.00 0.339 C +ATOM 3992 NH1 ARG A 433 162.235 173.635 179.344 1.00 0.00 -0.290 N +ATOM 3993 NH2 ARG A 433 163.557 175.447 179.818 1.00 0.00 -0.290 N +ATOM 3994 HH12 ARG A 433 161.620 173.080 179.574 1.00 0.00 0.256 HD +ATOM 3995 HH11 ARG A 433 162.608 173.567 178.572 1.00 0.00 0.256 HD +ATOM 3996 HH22 ARG A 433 163.801 176.071 180.356 1.00 0.00 0.256 HD +ATOM 3997 HH21 ARG A 433 163.926 175.376 179.045 1.00 0.00 0.256 HD +ATOM 3998 H ARG A 433 159.083 171.119 185.367 1.00 0.00 0.164 HD +ATOM 3999 C VAL A 434 157.174 176.983 185.004 1.00 0.00 0.243 C +ATOM 4000 O VAL A 434 155.976 177.058 184.727 1.00 0.00 -0.272 OA +ATOM 4001 CA VAL A 434 157.636 176.208 186.236 1.00 0.00 0.173 C +ATOM 4002 N VAL A 434 158.678 175.236 185.912 1.00 0.00 -0.343 N +ATOM 4003 CB VAL A 434 158.119 177.195 187.317 1.00 0.00 0.015 C +ATOM 4004 CG1 VAL A 434 157.087 178.295 187.559 1.00 0.00 0.010 C +ATOM 4005 CG2 VAL A 434 158.401 176.443 188.609 1.00 0.00 0.010 C +ATOM 4006 H VAL A 434 159.476 175.552 185.955 1.00 0.00 0.164 HD +ATOM 4007 C ALA A 435 157.650 177.192 181.920 1.00 0.00 0.243 C +ATOM 4008 O ALA A 435 158.040 176.039 182.102 1.00 0.00 -0.272 OA +ATOM 4009 CA ALA A 435 157.791 178.236 183.022 1.00 0.00 0.168 C +ATOM 4010 N ALA A 435 158.117 177.568 184.273 1.00 0.00 -0.344 N +ATOM 4011 CB ALA A 435 158.853 179.260 182.663 1.00 0.00 0.041 C +ATOM 4012 H ALA A 435 158.951 177.591 184.480 1.00 0.00 0.164 HD +ATOM 4013 C GLY A 436 155.497 176.195 179.500 1.00 0.00 0.239 C +ATOM 4014 O GLY A 436 155.126 175.693 178.442 1.00 0.00 -0.273 OA +ATOM 4015 CA GLY A 436 156.920 176.699 179.653 1.00 0.00 0.216 C +ATOM 4016 N GLY A 436 157.086 177.593 180.785 1.00 0.00 -0.346 N +ATOM 4017 H GLY A 436 156.788 178.388 180.648 1.00 0.00 0.164 HD +ATOM 4018 C GLY A 437 152.959 174.526 180.686 1.00 0.00 0.239 C +ATOM 4019 O GLY A 437 153.832 173.663 180.612 1.00 0.00 -0.273 OA +ATOM 4020 CA GLY A 437 153.291 175.995 180.502 1.00 0.00 0.216 C +ATOM 4021 N GLY A 437 154.706 176.316 180.561 1.00 0.00 -0.346 N +ATOM 4022 H GLY A 437 154.970 176.585 181.334 1.00 0.00 0.164 HD +ATOM 4023 C ARG A 438 151.944 171.954 181.882 1.00 0.00 0.242 C +ATOM 4024 O ARG A 438 152.415 170.924 181.402 1.00 0.00 -0.273 OA +ATOM 4025 CA ARG A 438 151.128 172.908 181.016 1.00 0.00 0.171 C +ATOM 4026 N ARG A 438 151.680 174.262 180.943 1.00 0.00 -0.344 N +ATOM 4027 CB ARG A 438 150.995 172.330 179.605 1.00 0.00 0.038 C +ATOM 4028 CG ARG A 438 150.025 173.104 178.734 1.00 0.00 0.040 C +ATOM 4029 CD ARG A 438 150.044 172.654 177.293 1.00 0.00 0.197 C +ATOM 4030 NE ARG A 438 149.056 173.388 176.507 1.00 0.00 -0.278 N +ATOM 4031 HE ARG A 438 148.595 173.993 176.909 1.00 0.00 0.260 HD +ATOM 4032 CZ ARG A 438 148.819 173.187 175.216 1.00 0.00 0.339 C +ATOM 4033 NH1 ARG A 438 149.501 172.267 174.547 1.00 0.00 -0.290 N +ATOM 4034 NH2 ARG A 438 147.897 173.908 174.594 1.00 0.00 -0.290 N +ATOM 4035 HH12 ARG A 438 150.099 171.798 174.948 1.00 0.00 0.256 HD +ATOM 4036 HH11 ARG A 438 149.344 172.139 173.711 1.00 0.00 0.256 HD +ATOM 4037 HH22 ARG A 438 147.455 174.505 175.027 1.00 0.00 0.256 HD +ATOM 4038 HH21 ARG A 438 147.743 173.779 173.758 1.00 0.00 0.256 HD +ATOM 4039 H ARG A 438 151.091 174.872 181.084 1.00 0.00 0.164 HD +ATOM 4040 C ASN A 439 152.288 171.531 185.517 1.00 0.00 0.242 C +ATOM 4041 O ASN A 439 152.944 171.082 186.457 1.00 0.00 -0.273 OA +ATOM 4042 CA ASN A 439 152.821 171.434 184.088 1.00 0.00 0.180 C +ATOM 4043 N ASN A 439 152.098 172.295 183.158 1.00 0.00 -0.342 N +ATOM 4044 CB ASN A 439 154.314 171.773 184.064 1.00 0.00 0.134 C +ATOM 4045 CG ASN A 439 155.188 170.610 184.495 1.00 0.00 0.220 C +ATOM 4046 OD1 ASN A 439 154.843 169.448 184.287 1.00 0.00 -0.275 OA +ATOM 4047 ND2 ASN A 439 156.328 170.920 185.101 1.00 0.00 -0.368 N +ATOM 4048 HD22 ASN A 439 156.858 170.296 185.365 1.00 0.00 0.159 HD +ATOM 4049 HD21 ASN A 439 156.536 171.745 185.230 1.00 0.00 0.159 HD +ATOM 4050 H ASN A 439 151.795 173.018 183.510 1.00 0.00 0.164 HD +ATOM 4051 C VAL A 440 149.738 170.787 187.219 1.00 0.00 0.243 C +ATOM 4052 O VAL A 440 148.904 170.382 186.416 1.00 0.00 -0.272 OA +ATOM 4053 CA VAL A 440 150.436 172.125 186.984 1.00 0.00 0.173 C +ATOM 4054 N VAL A 440 151.096 172.100 185.680 1.00 0.00 -0.343 N +ATOM 4055 CB VAL A 440 149.398 173.259 187.088 1.00 0.00 0.015 C +ATOM 4056 CG1 VAL A 440 148.735 173.253 188.465 1.00 0.00 0.010 C +ATOM 4057 CG2 VAL A 440 150.052 174.603 186.827 1.00 0.00 0.010 C +ATOM 4058 H VAL A 440 150.648 172.479 185.051 1.00 0.00 0.164 HD +ATOM 4059 C PRO A 441 147.904 168.958 188.756 1.00 0.00 0.243 C +ATOM 4060 O PRO A 441 147.489 169.963 189.332 1.00 0.00 -0.271 OA +ATOM 4061 CA PRO A 441 149.409 168.797 188.544 1.00 0.00 0.175 C +ATOM 4062 N PRO A 441 150.073 170.087 188.318 1.00 0.00 -0.329 N +ATOM 4063 CB PRO A 441 150.087 168.266 189.813 1.00 0.00 0.037 C +ATOM 4064 CG PRO A 441 151.342 169.055 189.955 1.00 0.00 0.024 C +ATOM 4065 CD PRO A 441 151.051 170.392 189.374 1.00 0.00 0.121 C +ATOM 4066 C PRO A 442 145.251 168.245 189.958 1.00 0.00 0.243 C +ATOM 4067 O PRO A 442 144.214 168.835 190.255 1.00 0.00 -0.271 OA +ATOM 4068 CA PRO A 442 145.641 168.062 188.494 1.00 0.00 0.175 C +ATOM 4069 N PRO A 442 147.094 167.985 188.300 1.00 0.00 -0.329 N +ATOM 4070 CB PRO A 442 145.145 166.710 187.968 1.00 0.00 0.037 C +ATOM 4071 CG PRO A 442 146.190 166.262 187.022 1.00 0.00 0.024 C +ATOM 4072 CD PRO A 442 147.485 166.769 187.567 1.00 0.00 0.121 C +ATOM 4073 C ALA A 443 145.608 169.191 192.816 1.00 0.00 0.243 C +ATOM 4074 O ALA A 443 144.726 169.423 193.642 1.00 0.00 -0.272 OA +ATOM 4075 CA ALA A 443 145.819 167.773 192.287 1.00 0.00 0.168 C +ATOM 4076 N ALA A 443 146.095 167.745 190.854 1.00 0.00 -0.344 N +ATOM 4077 CB ALA A 443 146.952 167.097 193.042 1.00 0.00 0.041 C +ATOM 4078 H ALA A 443 146.846 167.377 190.655 1.00 0.00 0.164 HD +ATOM 4079 C VAL A 444 145.812 172.415 191.659 1.00 0.00 0.243 C +ATOM 4080 O VAL A 444 146.095 173.612 191.620 1.00 0.00 -0.272 OA +ATOM 4081 CA VAL A 444 146.336 171.524 192.779 1.00 0.00 0.173 C +ATOM 4082 N VAL A 444 146.420 170.131 192.342 1.00 0.00 -0.343 N +ATOM 4083 CB VAL A 444 147.706 172.054 193.256 1.00 0.00 0.015 C +ATOM 4084 CG1 VAL A 444 148.116 171.373 194.552 1.00 0.00 0.010 C +ATOM 4085 CG2 VAL A 444 148.767 171.858 192.182 1.00 0.00 0.010 C +ATOM 4086 H VAL A 444 147.036 169.987 191.759 1.00 0.00 0.164 HD +ATOM 4087 C GLN A 445 143.632 173.742 190.096 1.00 0.00 0.242 C +ATOM 4088 O GLN A 445 143.663 174.806 189.478 1.00 0.00 -0.273 OA +ATOM 4089 CA GLN A 445 144.461 172.550 189.633 1.00 0.00 0.171 C +ATOM 4090 N GLN A 445 145.042 171.823 190.754 1.00 0.00 -0.343 N +ATOM 4091 CB GLN A 445 143.600 171.605 188.790 1.00 0.00 0.045 C +ATOM 4092 CG GLN A 445 142.690 172.307 187.795 1.00 0.00 0.102 C +ATOM 4093 CD GLN A 445 141.991 171.347 186.855 1.00 0.00 0.217 C +ATOM 4094 OE1 GLN A 445 142.396 170.194 186.709 1.00 0.00 -0.275 OA +ATOM 4095 NE2 GLN A 445 140.929 171.821 186.211 1.00 0.00 -0.368 N +ATOM 4096 HE22 GLN A 445 140.674 172.632 186.340 1.00 0.00 0.159 HD +ATOM 4097 HE21 GLN A 445 140.496 171.316 185.666 1.00 0.00 0.159 HD +ATOM 4098 H GLN A 445 144.838 170.987 190.768 1.00 0.00 0.164 HD +ATOM 4099 C LYS A 446 142.808 175.746 192.330 1.00 0.00 0.242 C +ATOM 4100 O LYS A 446 142.363 176.893 192.339 1.00 0.00 -0.273 OA +ATOM 4101 CA LYS A 446 142.016 174.615 191.687 1.00 0.00 0.171 C +ATOM 4102 N LYS A 446 142.888 173.561 191.182 1.00 0.00 -0.344 N +ATOM 4103 CB LYS A 446 141.011 174.042 192.690 1.00 0.00 0.035 C +ATOM 4104 CG LYS A 446 139.927 173.185 192.057 1.00 0.00 0.008 C +ATOM 4105 CD LYS A 446 139.015 174.012 191.148 1.00 0.00 0.061 C +ATOM 4106 CE LYS A 446 138.309 173.148 190.124 1.00 0.00 0.258 C +ATOM 4107 NZ LYS A 446 137.764 173.978 189.012 1.00 0.00 -0.357 N +ATOM 4108 HZ1 LYS A 446 137.352 173.457 188.418 1.00 0.00 0.345 HD +ATOM 4109 HZ2 LYS A 446 137.181 174.569 189.331 1.00 0.00 0.345 HD +ATOM 4110 HZ3 LYS A 446 138.425 174.413 188.605 1.00 0.00 0.345 HD +ATOM 4111 H LYS A 446 142.870 172.836 191.644 1.00 0.00 0.164 HD +ATOM 4112 C VAL A 447 145.276 177.404 192.332 1.00 0.00 0.243 C +ATOM 4113 O VAL A 447 145.323 178.616 192.534 1.00 0.00 -0.272 OA +ATOM 4114 CA VAL A 447 144.844 176.445 193.434 1.00 0.00 0.173 C +ATOM 4115 N VAL A 447 143.977 175.424 192.869 1.00 0.00 -0.343 N +ATOM 4116 CB VAL A 447 146.087 175.833 194.109 1.00 0.00 0.015 C +ATOM 4117 CG1 VAL A 447 146.997 176.923 194.645 1.00 0.00 0.010 C +ATOM 4118 CG2 VAL A 447 145.674 174.896 195.234 1.00 0.00 0.010 C +ATOM 4119 H VAL A 447 144.290 174.624 192.919 1.00 0.00 0.164 HD +ATOM 4120 C SER A 448 144.840 178.614 189.616 1.00 0.00 0.244 C +ATOM 4121 O SER A 448 145.073 179.801 189.393 1.00 0.00 -0.272 OA +ATOM 4122 CA SER A 448 145.962 177.663 190.010 1.00 0.00 0.197 C +ATOM 4123 N SER A 448 145.585 176.853 191.162 1.00 0.00 -0.342 N +ATOM 4124 CB SER A 448 146.331 176.774 188.821 1.00 0.00 0.191 C +ATOM 4125 OG SER A 448 147.719 176.498 188.806 1.00 0.00 -0.392 OA +ATOM 4126 HG SER A 448 147.908 176.009 188.150 1.00 0.00 0.210 HD +ATOM 4127 H SER A 448 145.583 176.007 191.009 1.00 0.00 0.164 HD +ATOM 4128 C GLN A 449 142.237 179.982 190.229 1.00 0.00 0.242 C +ATOM 4129 O GLN A 449 141.816 181.092 189.906 1.00 0.00 -0.273 OA +ATOM 4130 CA GLN A 449 142.468 178.901 189.179 1.00 0.00 0.171 C +ATOM 4131 N GLN A 449 143.624 178.086 189.527 1.00 0.00 -0.343 N +ATOM 4132 CB GLN A 449 141.218 178.034 189.035 1.00 0.00 0.045 C +ATOM 4133 CG GLN A 449 139.983 178.813 188.612 1.00 0.00 0.102 C +ATOM 4134 CD GLN A 449 138.784 177.925 188.359 1.00 0.00 0.217 C +ATOM 4135 OE1 GLN A 449 138.817 176.724 188.630 1.00 0.00 -0.275 OA +ATOM 4136 NE2 GLN A 449 137.715 178.512 187.835 1.00 0.00 -0.368 N +ATOM 4137 HE22 GLN A 449 137.730 179.354 187.658 1.00 0.00 0.159 HD +ATOM 4138 HE21 GLN A 449 137.008 178.051 187.671 1.00 0.00 0.159 HD +ATOM 4139 H GLN A 449 143.441 177.256 189.664 1.00 0.00 0.164 HD +ATOM 4140 C ALA A 450 143.270 181.796 192.413 1.00 0.00 0.243 C +ATOM 4141 O ALA A 450 142.879 182.935 192.670 1.00 0.00 -0.272 OA +ATOM 4142 CA ALA A 450 142.344 180.598 192.582 1.00 0.00 0.168 C +ATOM 4143 N ALA A 450 142.517 179.652 191.486 1.00 0.00 -0.344 N +ATOM 4144 CB ALA A 450 142.601 179.916 193.914 1.00 0.00 0.041 C +ATOM 4145 H ALA A 450 142.810 178.881 191.731 1.00 0.00 0.164 HD +ATOM 4146 C SER A 451 144.965 183.605 190.745 1.00 0.00 0.244 C +ATOM 4147 O SER A 451 145.061 184.814 190.958 1.00 0.00 -0.272 OA +ATOM 4148 CA SER A 451 145.476 182.590 191.760 1.00 0.00 0.197 C +ATOM 4149 N SER A 451 144.498 181.533 191.978 1.00 0.00 -0.342 N +ATOM 4150 CB SER A 451 146.801 181.998 191.285 1.00 0.00 0.191 C +ATOM 4151 OG SER A 451 147.274 181.024 192.197 1.00 0.00 -0.392 OA +ATOM 4152 HG SER A 451 147.393 181.371 192.953 1.00 0.00 0.210 HD +ATOM 4153 H SER A 451 144.790 180.744 191.800 1.00 0.00 0.164 HD +ATOM 4154 C ILE A 452 142.677 184.746 189.136 1.00 0.00 0.243 C +ATOM 4155 O ILE A 452 142.624 185.966 188.999 1.00 0.00 -0.272 OA +ATOM 4156 CA ILE A 452 143.868 183.957 188.600 1.00 0.00 0.174 C +ATOM 4157 N ILE A 452 144.421 183.103 189.642 1.00 0.00 -0.343 N +ATOM 4158 CB ILE A 452 143.428 183.135 187.369 1.00 0.00 0.018 C +ATOM 4159 CG2 ILE A 452 142.802 184.042 186.306 1.00 0.00 0.010 C +ATOM 4160 CG1 ILE A 452 144.624 182.382 186.780 1.00 0.00 0.002 C +ATOM 4161 CD1 ILE A 452 144.252 181.359 185.728 1.00 0.00 0.004 C +ATOM 4162 H ILE A 452 144.360 182.262 189.472 1.00 0.00 0.164 HD +ATOM 4163 C ASP A 453 140.841 185.728 191.303 1.00 0.00 0.242 C +ATOM 4164 O ASP A 453 140.305 186.832 191.258 1.00 0.00 -0.273 OA +ATOM 4165 CA ASP A 453 140.517 184.665 190.259 1.00 0.00 0.176 C +ATOM 4166 N ASP A 453 141.729 184.039 189.742 1.00 0.00 -0.343 N +ATOM 4167 CB ASP A 453 139.583 183.613 190.864 1.00 0.00 0.087 C +ATOM 4168 CG ASP A 453 138.963 182.704 189.817 1.00 0.00 0.044 C +ATOM 4169 OD1 ASP A 453 138.834 183.125 188.649 1.00 0.00 -0.548 OA +ATOM 4170 OD2 ASP A 453 138.595 181.566 190.171 1.00 0.00 -0.549 OA +ATOM 4171 H ASP A 453 141.763 183.189 189.867 1.00 0.00 0.164 HD +ATOM 4172 C GLN A 454 142.812 187.549 192.793 1.00 0.00 0.242 C +ATOM 4173 O GLN A 454 142.678 188.634 193.357 1.00 0.00 -0.273 OA +ATOM 4174 CA GLN A 454 142.084 186.310 193.312 1.00 0.00 0.171 C +ATOM 4175 N GLN A 454 141.725 185.393 192.237 1.00 0.00 -0.343 N +ATOM 4176 CB GLN A 454 142.949 185.595 194.349 1.00 0.00 0.045 C +ATOM 4177 CG GLN A 454 142.176 184.626 195.228 1.00 0.00 0.102 C +ATOM 4178 CD GLN A 454 143.085 183.737 196.049 1.00 0.00 0.217 C +ATOM 4179 OE1 GLN A 454 144.227 184.093 196.334 1.00 0.00 -0.275 OA +ATOM 4180 NE2 GLN A 454 142.583 182.570 196.430 1.00 0.00 -0.368 N +ATOM 4181 HE22 GLN A 454 141.781 182.353 196.208 1.00 0.00 0.159 HD +ATOM 4182 HE21 GLN A 454 143.060 182.029 196.898 1.00 0.00 0.159 HD +ATOM 4183 H GLN A 454 142.133 184.636 192.270 1.00 0.00 0.164 HD +ATOM 4184 C SER A 455 143.314 189.448 190.430 1.00 0.00 0.244 C +ATOM 4185 O SER A 455 143.527 190.656 190.362 1.00 0.00 -0.272 OA +ATOM 4186 CA SER A 455 144.295 188.522 191.139 1.00 0.00 0.197 C +ATOM 4187 N SER A 455 143.583 187.391 191.721 1.00 0.00 -0.342 N +ATOM 4188 CB SER A 455 145.378 188.046 190.168 1.00 0.00 0.191 C +ATOM 4189 OG SER A 455 144.817 187.326 189.087 1.00 0.00 -0.392 OA +ATOM 4190 HG SER A 455 144.405 186.653 189.374 1.00 0.00 0.210 HD +ATOM 4191 H SER A 455 143.709 186.643 191.315 1.00 0.00 0.164 HD +ATOM 4192 C ARG A 456 140.405 190.431 190.360 1.00 0.00 0.242 C +ATOM 4193 O ARG A 456 140.037 191.585 190.154 1.00 0.00 -0.273 OA +ATOM 4194 CA ARG A 456 141.174 189.661 189.293 1.00 0.00 0.171 C +ATOM 4195 N ARG A 456 142.237 188.873 189.904 1.00 0.00 -0.344 N +ATOM 4196 CB ARG A 456 140.228 188.763 188.496 1.00 0.00 0.038 C +ATOM 4197 CG ARG A 456 140.842 188.216 187.220 1.00 0.00 0.040 C +ATOM 4198 CD ARG A 456 139.944 187.183 186.562 1.00 0.00 0.197 C +ATOM 4199 NE ARG A 456 140.552 186.630 185.355 1.00 0.00 -0.278 N +ATOM 4200 HE ARG A 456 141.329 186.920 185.129 1.00 0.00 0.260 HD +ATOM 4201 CZ ARG A 456 139.987 185.708 184.582 1.00 0.00 0.339 C +ATOM 4202 NH1 ARG A 456 138.790 185.223 184.881 1.00 0.00 -0.290 N +ATOM 4203 NH2 ARG A 456 140.621 185.270 183.505 1.00 0.00 -0.290 N +ATOM 4204 HH12 ARG A 456 138.375 185.504 185.580 1.00 0.00 0.256 HD +ATOM 4205 HH11 ARG A 456 138.430 184.627 184.378 1.00 0.00 0.256 HD +ATOM 4206 HH22 ARG A 456 141.397 185.581 183.306 1.00 0.00 0.256 HD +ATOM 4207 HH21 ARG A 456 140.256 184.673 183.004 1.00 0.00 0.256 HD +ATOM 4208 H ARG A 456 142.098 188.024 189.889 1.00 0.00 0.164 HD +ATOM 4209 C GLN A 457 140.365 191.675 193.043 1.00 0.00 0.242 C +ATOM 4210 O GLN A 457 139.815 192.735 193.331 1.00 0.00 -0.273 OA +ATOM 4211 CA GLN A 457 139.550 190.452 192.643 1.00 0.00 0.171 C +ATOM 4212 N GLN A 457 140.166 189.785 191.499 1.00 0.00 -0.343 N +ATOM 4213 CB GLN A 457 139.435 189.503 193.838 1.00 0.00 0.045 C +ATOM 4214 CG GLN A 457 138.496 188.327 193.641 1.00 0.00 0.102 C +ATOM 4215 CD GLN A 457 138.485 187.395 194.837 1.00 0.00 0.217 C +ATOM 4216 OE1 GLN A 457 138.420 187.839 195.983 1.00 0.00 -0.275 OA +ATOM 4217 NE2 GLN A 457 138.561 186.095 194.578 1.00 0.00 -0.368 N +ATOM 4218 HE22 GLN A 457 138.612 185.821 193.764 1.00 0.00 0.159 HD +ATOM 4219 HE21 GLN A 457 138.558 185.526 195.223 1.00 0.00 0.159 HD +ATOM 4220 H GLN A 457 140.351 188.956 191.635 1.00 0.00 0.164 HD +ATOM 4221 C MET A 458 142.886 193.538 192.295 1.00 0.00 0.242 C +ATOM 4222 O MET A 458 143.617 194.512 192.463 1.00 0.00 -0.272 OA +ATOM 4223 CA MET A 458 142.588 192.584 193.453 1.00 0.00 0.172 C +ATOM 4224 N MET A 458 141.685 191.514 193.056 1.00 0.00 -0.344 N +ATOM 4225 CB MET A 458 143.888 191.991 194.003 1.00 0.00 0.046 C +ATOM 4226 CG MET A 458 143.715 191.283 195.344 1.00 0.00 0.072 C +ATOM 4227 SD MET A 458 145.245 190.607 196.022 1.00 0.00 -0.165 SA +ATOM 4228 CE MET A 458 145.727 189.454 194.738 1.00 0.00 0.085 C +ATOM 4229 H MET A 458 142.085 190.785 192.835 1.00 0.00 0.164 HD +ATOM 4230 C LYS A 459 143.858 194.401 189.528 1.00 0.00 0.242 C +ATOM 4231 O LYS A 459 144.297 195.548 189.469 1.00 0.00 -0.273 OA +ATOM 4232 CA LYS A 459 142.418 194.136 189.966 1.00 0.00 0.171 C +ATOM 4233 N LYS A 459 142.323 193.248 191.125 1.00 0.00 -0.344 N +ATOM 4234 CB LYS A 459 141.720 195.465 190.267 1.00 0.00 0.035 C +ATOM 4235 CG LYS A 459 140.248 195.317 190.624 1.00 0.00 0.008 C +ATOM 4236 CD LYS A 459 139.622 196.645 191.016 1.00 0.00 0.061 C +ATOM 4237 CE LYS A 459 140.206 197.182 192.314 1.00 0.00 0.258 C +ATOM 4238 NZ LYS A 459 139.515 198.416 192.770 1.00 0.00 -0.357 N +ATOM 4239 HZ1 LYS A 459 139.591 199.052 192.152 1.00 0.00 0.345 HD +ATOM 4240 HZ2 LYS A 459 138.652 198.248 192.908 1.00 0.00 0.345 HD +ATOM 4241 HZ3 LYS A 459 139.879 198.704 193.529 1.00 0.00 0.345 HD +ATOM 4242 H LYS A 459 141.874 192.531 190.973 1.00 0.00 0.164 HD +ATOM 4243 C TYR A 460 145.940 194.051 187.287 1.00 0.00 0.243 C +ATOM 4244 O TYR A 460 145.080 193.730 186.466 1.00 0.00 -0.272 OA +ATOM 4245 CA TYR A 460 145.938 193.455 188.689 1.00 0.00 0.175 C +ATOM 4246 N TYR A 460 144.585 193.335 189.218 1.00 0.00 -0.343 N +ATOM 4247 CB TYR A 460 146.625 192.090 188.644 1.00 0.00 0.070 C +ATOM 4248 CG TYR A 460 147.188 191.597 189.955 1.00 0.00 -0.045 A +ATOM 4249 CD1 TYR A 460 146.772 192.127 191.167 1.00 0.00 0.007 A +ATOM 4250 CD2 TYR A 460 148.148 190.598 189.973 1.00 0.00 0.007 A +ATOM 4251 CE1 TYR A 460 147.295 191.668 192.357 1.00 0.00 0.046 A +ATOM 4252 CE2 TYR A 460 148.675 190.137 191.154 1.00 0.00 0.046 A +ATOM 4253 CZ TYR A 460 148.247 190.673 192.344 1.00 0.00 0.115 A +ATOM 4254 OH TYR A 460 148.774 190.209 193.524 1.00 0.00 -0.507 OA +ATOM 4255 HH TYR A 460 149.340 189.607 193.369 1.00 0.00 0.294 HD +ATOM 4256 H TYR A 460 144.316 192.523 189.305 1.00 0.00 0.164 HD +ATOM 4257 C GLN A 461 147.628 194.191 184.792 1.00 0.00 0.242 C +ATOM 4258 O GLN A 461 147.908 193.111 185.311 1.00 0.00 -0.273 OA +ATOM 4259 CA GLN A 461 147.143 195.363 185.643 1.00 0.00 0.171 C +ATOM 4260 N GLN A 461 146.919 194.905 187.007 1.00 0.00 -0.343 N +ATOM 4261 CB GLN A 461 148.155 196.508 185.603 1.00 0.00 0.045 C +ATOM 4262 CG GLN A 461 147.629 197.823 186.155 1.00 0.00 0.102 C +ATOM 4263 CD GLN A 461 148.563 198.985 185.880 1.00 0.00 0.217 C +ATOM 4264 OE1 GLN A 461 149.141 199.090 184.798 1.00 0.00 -0.275 OA +ATOM 4265 NE2 GLN A 461 148.717 199.864 186.861 1.00 0.00 -0.368 N +ATOM 4266 HE22 GLN A 461 148.297 199.758 187.604 1.00 0.00 0.159 HD +ATOM 4267 HE21 GLN A 461 149.236 200.541 186.753 1.00 0.00 0.159 HD +ATOM 4268 H GLN A 461 147.464 195.233 187.586 1.00 0.00 0.164 HD +ATOM 4269 C SER A 462 149.542 192.887 182.751 1.00 0.00 0.244 C +ATOM 4270 O SER A 462 150.327 193.533 183.446 1.00 0.00 -0.272 OA +ATOM 4271 CA SER A 462 148.094 193.328 182.572 1.00 0.00 0.197 C +ATOM 4272 N SER A 462 147.728 194.404 183.485 1.00 0.00 -0.342 N +ATOM 4273 CB SER A 462 147.870 193.760 181.126 1.00 0.00 0.191 C +ATOM 4274 OG SER A 462 148.862 194.682 180.720 1.00 0.00 -0.392 OA +ATOM 4275 HG SER A 462 148.730 194.913 179.923 1.00 0.00 0.210 HD +ATOM 4276 H SER A 462 147.589 195.161 183.102 1.00 0.00 0.164 HD +ATOM 4277 C PHE A 463 152.242 192.197 181.551 1.00 0.00 0.243 C +ATOM 4278 O PHE A 463 153.357 192.324 182.054 1.00 0.00 -0.272 OA +ATOM 4279 CA PHE A 463 151.227 191.227 182.144 1.00 0.00 0.175 C +ATOM 4280 N PHE A 463 149.879 191.773 182.113 1.00 0.00 -0.343 N +ATOM 4281 CB PHE A 463 151.261 189.900 181.386 1.00 0.00 0.070 C +ATOM 4282 CG PHE A 463 152.619 189.268 181.315 1.00 0.00 -0.045 A +ATOM 4283 CD1 PHE A 463 153.200 188.713 182.443 1.00 0.00 0.004 A +ATOM 4284 CD2 PHE A 463 153.305 189.207 180.113 1.00 0.00 0.004 A +ATOM 4285 CE1 PHE A 463 154.438 188.118 182.374 1.00 0.00 0.000 A +ATOM 4286 CE2 PHE A 463 154.548 188.614 180.041 1.00 0.00 0.000 A +ATOM 4287 CZ PHE A 463 155.117 188.069 181.172 1.00 0.00 0.000 A +ATOM 4288 H PHE A 463 149.330 191.305 181.644 1.00 0.00 0.164 HD +ATOM 4289 C ASN A 464 152.976 195.090 180.600 1.00 0.00 0.242 C +ATOM 4290 O ASN A 464 154.028 195.713 180.487 1.00 0.00 -0.273 OA +ATOM 4291 CA ASN A 464 152.758 193.807 179.807 1.00 0.00 0.180 C +ATOM 4292 N ASN A 464 151.854 192.881 180.479 1.00 0.00 -0.342 N +ATOM 4293 CB ASN A 464 152.234 194.150 178.406 1.00 0.00 0.134 C +ATOM 4294 CG ASN A 464 152.844 193.279 177.313 1.00 0.00 0.220 C +ATOM 4295 OD1 ASN A 464 153.853 192.606 177.520 1.00 0.00 -0.275 OA +ATOM 4296 ND2 ASN A 464 152.234 193.307 176.132 1.00 0.00 -0.368 N +ATOM 4297 HD22 ASN A 464 152.536 192.834 175.480 1.00 0.00 0.159 HD +ATOM 4298 HD21 ASN A 464 151.536 193.797 176.020 1.00 0.00 0.159 HD +ATOM 4299 H ASN A 464 151.073 192.827 180.123 1.00 0.00 0.164 HD +ATOM 4300 C GLU A 465 153.198 196.383 183.313 1.00 0.00 0.242 C +ATOM 4301 O GLU A 465 153.968 197.266 183.692 1.00 0.00 -0.273 OA +ATOM 4302 CA GLU A 465 152.154 196.667 182.242 1.00 0.00 0.171 C +ATOM 4303 N GLU A 465 151.990 195.493 181.394 1.00 0.00 -0.344 N +ATOM 4304 CB GLU A 465 150.827 197.075 182.891 1.00 0.00 0.041 C +ATOM 4305 CG GLU A 465 149.797 197.647 181.921 1.00 0.00 0.055 C +ATOM 4306 CD GLU A 465 150.335 198.806 181.103 1.00 0.00 0.041 C +ATOM 4307 OE1 GLU A 465 150.740 199.824 181.697 1.00 0.00 -0.548 OA +ATOM 4308 OE2 GLU A 465 150.360 198.692 179.860 1.00 0.00 -0.549 OA +ATOM 4309 H GLU A 465 151.224 195.109 181.460 1.00 0.00 0.164 HD +ATOM 4310 C TYR A 466 155.576 194.556 184.205 1.00 0.00 0.243 C +ATOM 4311 O TYR A 466 156.581 194.726 184.896 1.00 0.00 -0.272 OA +ATOM 4312 CA TYR A 466 154.187 194.737 184.803 1.00 0.00 0.175 C +ATOM 4313 N TYR A 466 153.226 195.142 183.788 1.00 0.00 -0.343 N +ATOM 4314 CB TYR A 466 153.728 193.450 185.494 1.00 0.00 0.070 C +ATOM 4315 CG TYR A 466 152.782 193.724 186.637 1.00 0.00 -0.045 A +ATOM 4316 CD1 TYR A 466 153.252 194.259 187.826 1.00 0.00 0.007 A +ATOM 4317 CD2 TYR A 466 151.421 193.474 186.521 1.00 0.00 0.007 A +ATOM 4318 CE1 TYR A 466 152.399 194.531 188.865 1.00 0.00 0.046 A +ATOM 4319 CE2 TYR A 466 150.559 193.741 187.563 1.00 0.00 0.046 A +ATOM 4320 CZ TYR A 466 151.055 194.269 188.734 1.00 0.00 0.115 A +ATOM 4321 OH TYR A 466 150.210 194.540 189.781 1.00 0.00 -0.507 OA +ATOM 4322 HH TYR A 466 150.645 194.856 190.426 1.00 0.00 0.294 HD +ATOM 4323 H TYR A 466 152.695 194.514 183.537 1.00 0.00 0.164 HD +ATOM 4324 C ARG A 467 157.540 195.544 182.213 1.00 0.00 0.242 C +ATOM 4325 O ARG A 467 158.692 195.709 182.616 1.00 0.00 -0.273 OA +ATOM 4326 CA ARG A 467 156.904 194.160 182.213 1.00 0.00 0.171 C +ATOM 4327 N ARG A 467 155.632 194.214 182.921 1.00 0.00 -0.344 N +ATOM 4328 CB ARG A 467 156.718 193.672 180.775 1.00 0.00 0.038 C +ATOM 4329 CG ARG A 467 156.170 192.251 180.644 1.00 0.00 0.040 C +ATOM 4330 CD ARG A 467 157.259 191.219 180.384 1.00 0.00 0.197 C +ATOM 4331 NE ARG A 467 158.124 191.576 179.262 1.00 0.00 -0.278 N +ATOM 4332 HE ARG A 467 157.904 192.256 178.785 1.00 0.00 0.260 HD +ATOM 4333 CZ ARG A 467 159.230 190.916 178.932 1.00 0.00 0.339 C +ATOM 4334 NH1 ARG A 467 159.958 191.316 177.901 1.00 0.00 -0.290 N +ATOM 4335 NH2 ARG A 467 159.612 189.856 179.631 1.00 0.00 -0.290 N +ATOM 4336 HH12 ARG A 467 159.714 192.002 177.443 1.00 0.00 0.256 HD +ATOM 4337 HH11 ARG A 467 160.671 190.887 177.687 1.00 0.00 0.256 HD +ATOM 4338 HH22 ARG A 467 159.145 189.593 180.303 1.00 0.00 0.256 HD +ATOM 4339 HH21 ARG A 467 160.328 189.433 179.413 1.00 0.00 0.256 HD +ATOM 4340 H ARG A 467 154.950 194.010 182.440 1.00 0.00 0.164 HD +ATOM 4341 C LYS A 468 157.663 198.440 183.048 1.00 0.00 0.242 C +ATOM 4342 O LYS A 468 158.624 199.198 183.169 1.00 0.00 -0.273 OA +ATOM 4343 CA LYS A 468 157.262 197.907 181.675 1.00 0.00 0.171 C +ATOM 4344 N LYS A 468 156.775 196.536 181.765 1.00 0.00 -0.344 N +ATOM 4345 CB LYS A 468 156.198 198.815 181.046 1.00 0.00 0.035 C +ATOM 4346 CG LYS A 468 155.865 198.467 179.599 1.00 0.00 0.008 C +ATOM 4347 CD LYS A 468 155.104 199.583 178.889 1.00 0.00 0.061 C +ATOM 4348 CE LYS A 468 153.623 199.585 179.238 1.00 0.00 0.258 C +ATOM 4349 NZ LYS A 468 152.872 200.603 178.446 1.00 0.00 -0.357 N +ATOM 4350 HZ1 LYS A 468 152.010 200.584 178.668 1.00 0.00 0.345 HD +ATOM 4351 HZ2 LYS A 468 153.196 201.415 178.611 1.00 0.00 0.345 HD +ATOM 4352 HZ3 LYS A 468 152.951 200.430 177.577 1.00 0.00 0.345 HD +ATOM 4353 H LYS A 468 155.962 196.438 181.504 1.00 0.00 0.164 HD +ATOM 4354 C ARG A 469 158.562 198.046 185.927 1.00 0.00 0.242 C +ATOM 4355 O ARG A 469 159.181 198.715 186.750 1.00 0.00 -0.273 OA +ATOM 4356 CA ARG A 469 157.186 198.491 185.439 1.00 0.00 0.171 C +ATOM 4357 N ARG A 469 156.927 198.033 184.077 1.00 0.00 -0.344 N +ATOM 4358 CB ARG A 469 156.099 197.975 186.384 1.00 0.00 0.038 C +ATOM 4359 CG ARG A 469 156.379 198.178 187.872 1.00 0.00 0.040 C +ATOM 4360 CD ARG A 469 156.569 199.643 188.238 1.00 0.00 0.197 C +ATOM 4361 NE ARG A 469 156.641 199.823 189.684 1.00 0.00 -0.278 N +ATOM 4362 HE ARG A 469 155.924 200.063 190.093 1.00 0.00 0.260 HD +ATOM 4363 CZ ARG A 469 157.738 199.643 190.414 1.00 0.00 0.339 C +ATOM 4364 NH1 ARG A 469 158.879 199.277 189.842 1.00 0.00 -0.290 N +ATOM 4365 NH2 ARG A 469 157.695 199.829 191.726 1.00 0.00 -0.290 N +ATOM 4366 HH12 ARG A 469 158.913 199.153 188.992 1.00 0.00 0.256 HD +ATOM 4367 HH11 ARG A 469 159.583 199.163 190.322 1.00 0.00 0.256 HD +ATOM 4368 HH22 ARG A 469 156.959 200.067 192.103 1.00 0.00 0.256 HD +ATOM 4369 HH21 ARG A 469 158.403 199.715 192.201 1.00 0.00 0.256 HD +ATOM 4370 H ARG A 469 156.265 197.487 184.012 1.00 0.00 0.164 HD +ATOM 4371 C PHE A 470 161.305 196.473 184.592 1.00 0.00 0.243 C +ATOM 4372 O PHE A 470 162.208 195.649 184.444 1.00 0.00 -0.272 OA +ATOM 4373 CA PHE A 470 160.348 196.400 185.782 1.00 0.00 0.175 C +ATOM 4374 N PHE A 470 159.035 196.917 185.414 1.00 0.00 -0.343 N +ATOM 4375 CB PHE A 470 160.214 194.978 186.325 1.00 0.00 0.070 C +ATOM 4376 CG PHE A 470 159.578 194.926 187.685 1.00 0.00 -0.045 A +ATOM 4377 CD1 PHE A 470 158.206 194.803 187.821 1.00 0.00 0.004 A +ATOM 4378 CD2 PHE A 470 160.351 195.038 188.829 1.00 0.00 0.004 A +ATOM 4379 CE1 PHE A 470 157.620 194.772 189.069 1.00 0.00 0.000 A +ATOM 4380 CE2 PHE A 470 159.770 195.007 190.079 1.00 0.00 0.000 A +ATOM 4381 CZ PHE A 470 158.402 194.875 190.199 1.00 0.00 0.000 A +ATOM 4382 H PHE A 470 158.613 196.428 184.846 1.00 0.00 0.164 HD +ATOM 4383 C MET A 471 162.267 196.752 181.686 1.00 0.00 0.242 C +ATOM 4384 O MET A 471 163.402 196.524 181.266 1.00 0.00 -0.272 OA +ATOM 4385 CA MET A 471 162.016 197.869 182.696 1.00 0.00 0.172 C +ATOM 4386 N MET A 471 161.086 197.487 183.757 1.00 0.00 -0.344 N +ATOM 4387 CB MET A 471 163.341 198.332 183.308 1.00 0.00 0.046 C +ATOM 4388 CG MET A 471 163.228 199.645 184.076 1.00 0.00 0.072 C +ATOM 4389 SD MET A 471 164.792 200.214 184.775 1.00 0.00 -0.165 SA +ATOM 4390 CE MET A 471 165.791 200.406 183.300 1.00 0.00 0.085 C +ATOM 4391 H MET A 471 160.384 197.984 183.787 1.00 0.00 0.164 HD +ATOM 4392 C LEU A 472 160.447 195.538 179.029 1.00 0.00 0.243 C +ATOM 4393 O LEU A 472 159.442 196.230 179.181 1.00 0.00 -0.272 OA +ATOM 4394 CA LEU A 472 161.263 195.076 180.228 1.00 0.00 0.172 C +ATOM 4395 N LEU A 472 161.197 196.070 181.292 1.00 0.00 -0.345 N +ATOM 4396 CB LEU A 472 160.749 193.720 180.714 1.00 0.00 0.038 C +ATOM 4397 CG LEU A 472 161.305 193.215 182.047 1.00 0.00 -0.015 C +ATOM 4398 CD1 LEU A 472 160.645 191.897 182.415 1.00 0.00 0.007 C +ATOM 4399 CD2 LEU A 472 162.815 193.067 181.984 1.00 0.00 0.007 C +ATOM 4400 H LEU A 472 160.413 196.166 181.630 1.00 0.00 0.165 HD +ATOM 4401 C LYS A 473 158.836 194.626 176.651 1.00 0.00 0.242 C +ATOM 4402 O LYS A 473 158.860 193.419 176.882 1.00 0.00 -0.273 OA +ATOM 4403 CA LYS A 473 160.140 195.424 176.621 1.00 0.00 0.171 C +ATOM 4404 N LYS A 473 160.892 195.157 177.839 1.00 0.00 -0.344 N +ATOM 4405 CB LYS A 473 160.965 195.045 175.388 1.00 0.00 0.035 C +ATOM 4406 CG LYS A 473 160.853 196.019 174.228 1.00 0.00 0.008 C +ATOM 4407 CD LYS A 473 161.819 195.655 173.106 1.00 0.00 0.061 C +ATOM 4408 CE LYS A 473 161.395 194.389 172.370 1.00 0.00 0.258 C +ATOM 4409 NZ LYS A 473 160.147 194.589 171.583 1.00 0.00 -0.357 N +ATOM 4410 HZ1 LYS A 473 159.926 193.834 171.166 1.00 0.00 0.345 HD +ATOM 4411 HZ2 LYS A 473 159.481 194.826 172.124 1.00 0.00 0.345 HD +ATOM 4412 HZ3 LYS A 473 160.269 195.229 170.976 1.00 0.00 0.345 HD +ATOM 4413 H LYS A 473 161.633 194.740 177.708 1.00 0.00 0.164 HD +ATOM 4414 C PRO A 474 156.434 193.546 175.183 1.00 0.00 0.243 C +ATOM 4415 O PRO A 474 157.036 193.845 174.153 1.00 0.00 -0.271 OA +ATOM 4416 CA PRO A 474 156.452 194.496 176.378 1.00 0.00 0.175 C +ATOM 4417 N PRO A 474 157.687 195.289 176.440 1.00 0.00 -0.329 N +ATOM 4418 CB PRO A 474 155.352 195.558 176.256 1.00 0.00 0.037 C +ATOM 4419 CG PRO A 474 156.043 196.797 175.795 1.00 0.00 0.024 C +ATOM 4420 CD PRO A 474 157.423 196.735 176.355 1.00 0.00 0.121 C +ATOM 4421 C TYR A 475 154.663 191.913 173.190 1.00 0.00 0.243 C +ATOM 4422 O TYR A 475 153.557 192.344 173.517 1.00 0.00 -0.272 OA +ATOM 4423 CA TYR A 475 155.658 191.438 174.245 1.00 0.00 0.175 C +ATOM 4424 N TYR A 475 155.759 192.411 175.328 1.00 0.00 -0.343 N +ATOM 4425 CB TYR A 475 155.245 190.068 174.788 1.00 0.00 0.070 C +ATOM 4426 CG TYR A 475 156.361 189.326 175.494 1.00 0.00 -0.045 A +ATOM 4427 CD1 TYR A 475 157.435 188.815 174.782 1.00 0.00 0.007 A +ATOM 4428 CD2 TYR A 475 156.333 189.128 176.868 1.00 0.00 0.007 A +ATOM 4429 CE1 TYR A 475 158.456 188.134 175.417 1.00 0.00 0.046 A +ATOM 4430 CE2 TYR A 475 157.352 188.446 177.513 1.00 0.00 0.046 A +ATOM 4431 CZ TYR A 475 158.410 187.952 176.781 1.00 0.00 0.115 A +ATOM 4432 OH TYR A 475 159.426 187.273 177.413 1.00 0.00 -0.507 OA +ATOM 4433 HH TYR A 475 159.275 187.234 178.239 1.00 0.00 0.294 HD +ATOM 4434 H TYR A 475 155.348 192.179 176.047 1.00 0.00 0.164 HD +ATOM 4435 C GLU A 476 153.341 191.260 170.220 1.00 0.00 0.242 C +ATOM 4436 O GLU A 476 152.556 191.548 169.316 1.00 0.00 -0.273 OA +ATOM 4437 CA GLU A 476 154.254 192.328 170.817 1.00 0.00 0.171 C +ATOM 4438 N GLU A 476 155.064 191.826 171.925 1.00 0.00 -0.344 N +ATOM 4439 CB GLU A 476 155.160 192.897 169.723 1.00 0.00 0.041 C +ATOM 4440 CG GLU A 476 155.922 194.144 170.141 1.00 0.00 0.055 C +ATOM 4441 CD GLU A 476 156.911 194.603 169.091 1.00 0.00 0.041 C +ATOM 4442 OE1 GLU A 476 156.614 194.459 167.887 1.00 0.00 -0.548 OA +ATOM 4443 OE2 GLU A 476 157.990 195.105 169.469 1.00 0.00 -0.549 OA +ATOM 4444 H GLU A 476 155.810 191.476 171.679 1.00 0.00 0.164 HD +ATOM 4445 C SER A 477 152.624 187.753 171.167 1.00 0.00 0.244 C +ATOM 4446 O SER A 477 153.504 187.636 172.018 1.00 0.00 -0.272 OA +ATOM 4447 CA SER A 477 152.598 188.948 170.224 1.00 0.00 0.197 C +ATOM 4448 N SER A 477 153.442 190.032 170.716 1.00 0.00 -0.342 N +ATOM 4449 CB SER A 477 153.043 188.509 168.829 1.00 0.00 0.191 C +ATOM 4450 OG SER A 477 154.242 187.758 168.893 1.00 0.00 -0.392 OA +ATOM 4451 HG SER A 477 154.475 187.523 168.121 1.00 0.00 0.210 HD +ATOM 4452 H SER A 477 153.990 189.800 171.337 1.00 0.00 0.164 HD +ATOM 4453 C PHE A 478 152.661 184.692 171.539 1.00 0.00 0.243 C +ATOM 4454 O PHE A 478 153.026 183.880 172.388 1.00 0.00 -0.272 OA +ATOM 4455 CA PHE A 478 151.540 185.678 171.836 1.00 0.00 0.175 C +ATOM 4456 N PHE A 478 151.652 186.864 171.000 1.00 0.00 -0.343 N +ATOM 4457 CB PHE A 478 150.181 185.010 171.625 1.00 0.00 0.070 C +ATOM 4458 CG PHE A 478 149.016 185.918 171.889 1.00 0.00 -0.045 A +ATOM 4459 CD1 PHE A 478 148.429 185.965 173.141 1.00 0.00 0.004 A +ATOM 4460 CD2 PHE A 478 148.513 186.731 170.886 1.00 0.00 0.004 A +ATOM 4461 CE1 PHE A 478 147.358 186.801 173.388 1.00 0.00 0.000 A +ATOM 4462 CE2 PHE A 478 147.442 187.569 171.128 1.00 0.00 0.000 A +ATOM 4463 CZ PHE A 478 146.866 187.604 172.381 1.00 0.00 0.000 A +ATOM 4464 H PHE A 478 151.038 186.926 170.401 1.00 0.00 0.164 HD +ATOM 4465 C GLU A 479 155.609 184.287 170.475 1.00 0.00 0.242 C +ATOM 4466 O GLU A 479 156.420 183.448 170.868 1.00 0.00 -0.273 OA +ATOM 4467 CA GLU A 479 154.262 183.860 169.904 1.00 0.00 0.171 C +ATOM 4468 N GLU A 479 153.208 184.773 170.331 1.00 0.00 -0.344 N +ATOM 4469 CB GLU A 479 154.322 183.798 168.376 1.00 0.00 0.041 C +ATOM 4470 CG GLU A 479 154.365 182.385 167.820 1.00 0.00 0.055 C +ATOM 4471 CD GLU A 479 153.917 182.311 166.374 1.00 0.00 0.041 C +ATOM 4472 OE1 GLU A 479 152.741 181.965 166.137 1.00 0.00 -0.548 OA +ATOM 4473 OE2 GLU A 479 154.739 182.595 165.477 1.00 0.00 -0.549 OA +ATOM 4474 H GLU A 479 152.985 185.351 169.736 1.00 0.00 0.164 HD +ATOM 4475 C GLU A 480 157.093 185.782 172.611 1.00 0.00 0.242 C +ATOM 4476 O GLU A 480 158.159 185.538 173.174 1.00 0.00 -0.273 OA +ATOM 4477 CA GLU A 480 157.051 186.136 171.129 1.00 0.00 0.171 C +ATOM 4478 N GLU A 480 155.842 185.594 170.520 1.00 0.00 -0.344 N +ATOM 4479 CB GLU A 480 157.114 187.654 170.944 1.00 0.00 0.041 C +ATOM 4480 CG GLU A 480 158.397 188.297 171.451 1.00 0.00 0.055 C +ATOM 4481 CD GLU A 480 158.349 189.812 171.391 1.00 0.00 0.041 C +ATOM 4482 OE1 GLU A 480 157.470 190.351 170.687 1.00 0.00 -0.548 OA +ATOM 4483 OE2 GLU A 480 159.186 190.464 172.051 1.00 0.00 -0.549 OA +ATOM 4484 H GLU A 480 155.312 186.192 170.203 1.00 0.00 0.164 HD +ATOM 4485 C LEU A 481 156.151 183.965 174.907 1.00 0.00 0.243 C +ATOM 4486 O LEU A 481 157.046 183.668 175.698 1.00 0.00 -0.272 OA +ATOM 4487 CA LEU A 481 155.799 185.426 174.646 1.00 0.00 0.172 C +ATOM 4488 N LEU A 481 155.919 185.753 173.231 1.00 0.00 -0.345 N +ATOM 4489 CB LEU A 481 154.378 185.730 175.137 1.00 0.00 0.038 C +ATOM 4490 CG LEU A 481 153.919 185.125 176.469 1.00 0.00 -0.015 C +ATOM 4491 CD1 LEU A 481 154.909 185.395 177.590 1.00 0.00 0.007 C +ATOM 4492 CD2 LEU A 481 152.550 185.670 176.837 1.00 0.00 0.007 C +ATOM 4493 H LEU A 481 155.167 185.921 172.849 1.00 0.00 0.165 HD +ATOM 4494 C THR A 482 156.773 181.019 173.698 1.00 0.00 0.245 C +ATOM 4495 O THR A 482 157.258 179.941 174.038 1.00 0.00 -0.273 OA +ATOM 4496 CA THR A 482 155.617 181.631 174.493 1.00 0.00 0.199 C +ATOM 4497 N THR A 482 155.457 183.056 174.232 1.00 0.00 -0.341 N +ATOM 4498 CB THR A 482 154.326 180.857 174.165 1.00 0.00 0.143 C +ATOM 4499 CG2 THR A 482 153.117 181.530 174.807 1.00 0.00 0.041 C +ATOM 4500 OG1 THR A 482 154.147 180.793 172.745 1.00 0.00 -0.389 OA +ATOM 4501 HG1 THR A 482 153.443 180.371 172.563 1.00 0.00 0.211 HD +ATOM 4502 H THR A 482 154.885 183.239 173.617 1.00 0.00 0.164 HD +ATOM 4503 C GLY A 483 157.882 179.863 171.208 1.00 0.00 0.239 C +ATOM 4504 O GLY A 483 158.705 178.960 171.057 1.00 0.00 -0.273 OA +ATOM 4505 CA GLY A 483 158.278 181.204 171.794 1.00 0.00 0.216 C +ATOM 4506 N GLY A 483 157.215 181.710 172.649 1.00 0.00 -0.346 N +ATOM 4507 H GLY A 483 156.911 182.479 172.411 1.00 0.00 0.164 HD +ATOM 4508 C GLU A 484 154.644 178.767 169.871 1.00 0.00 0.242 C +ATOM 4509 O GLU A 484 154.219 179.919 169.827 1.00 0.00 -0.273 OA +ATOM 4510 CA GLU A 484 155.978 178.480 170.575 1.00 0.00 0.171 C +ATOM 4511 N GLU A 484 156.605 179.757 170.860 1.00 0.00 -0.344 N +ATOM 4512 CB GLU A 484 155.825 177.692 171.888 1.00 0.00 0.041 C +ATOM 4513 CG GLU A 484 154.824 176.555 171.899 1.00 0.00 0.055 C +ATOM 4514 CD GLU A 484 153.428 177.006 172.263 1.00 0.00 0.041 C +ATOM 4515 OE1 GLU A 484 152.568 176.127 172.454 1.00 0.00 -0.548 OA +ATOM 4516 OE2 GLU A 484 153.187 178.227 172.368 1.00 0.00 -0.549 OA +ATOM 4517 H GLU A 484 156.072 180.427 170.782 1.00 0.00 0.164 HD +ATOM 4518 C LYS A 485 151.492 177.511 168.985 1.00 0.00 0.243 C +ATOM 4519 O LYS A 485 150.471 178.149 168.720 1.00 0.00 -0.272 OA +ATOM 4520 CA LYS A 485 152.846 177.971 168.426 1.00 0.00 0.171 C +ATOM 4521 N LYS A 485 154.002 177.750 169.300 1.00 0.00 -0.344 N +ATOM 4522 CB LYS A 485 153.095 177.274 167.084 1.00 0.00 0.035 C +ATOM 4523 CG LYS A 485 154.222 177.911 166.283 1.00 0.00 0.004 C +ATOM 4524 CD LYS A 485 153.745 178.295 164.891 1.00 0.00 0.015 C +ATOM 4525 CE LYS A 485 154.678 179.305 164.235 1.00 0.00 0.077 C +ATOM 4526 NZ LYS A 485 153.974 180.083 163.174 1.00 0.00 -0.329 NA +ATOM 4527 HZ2 LYS A 485 153.349 180.774 163.613 1.00 0.00 0.118 HD +ATOM 4528 HZ3 LYS A 485 154.667 180.570 162.588 1.00 0.00 0.118 HD +ATOM 4529 H LYS A 485 154.214 176.922 169.401 1.00 0.00 0.164 HD +ATOM 4530 C GLU A 486 149.545 176.779 171.291 1.00 0.00 0.242 C +ATOM 4531 O GLU A 486 148.428 177.260 171.103 1.00 0.00 -0.273 OA +ATOM 4532 CA GLU A 486 150.197 175.881 170.237 1.00 0.00 0.171 C +ATOM 4533 N GLU A 486 151.467 176.420 169.750 1.00 0.00 -0.344 N +ATOM 4534 CB GLU A 486 150.389 174.477 170.817 1.00 0.00 0.041 C +ATOM 4535 CG GLU A 486 151.063 173.498 169.872 1.00 0.00 0.055 C +ATOM 4536 CD GLU A 486 150.813 172.051 170.254 1.00 0.00 0.041 C +ATOM 4537 OE1 GLU A 486 150.370 171.800 171.396 1.00 0.00 -0.548 OA +ATOM 4538 OE2 GLU A 486 151.055 171.164 169.408 1.00 0.00 -0.549 OA +ATOM 4539 H GLU A 486 152.162 175.978 169.998 1.00 0.00 0.164 HD +ATOM 4540 C MET A 487 149.515 179.252 173.088 1.00 0.00 0.242 C +ATOM 4541 O MET A 487 148.559 179.891 173.530 1.00 0.00 -0.272 OA +ATOM 4542 CA MET A 487 149.735 177.801 173.501 1.00 0.00 0.172 C +ATOM 4543 N MET A 487 150.244 176.986 172.404 1.00 0.00 -0.344 N +ATOM 4544 CB MET A 487 150.697 177.750 174.687 1.00 0.00 0.046 C +ATOM 4545 CG MET A 487 150.889 176.363 175.280 1.00 0.00 0.072 C +ATOM 4546 SD MET A 487 151.966 176.377 176.725 1.00 0.00 -0.165 SA +ATOM 4547 CE MET A 487 153.471 177.055 176.030 1.00 0.00 0.085 C +ATOM 4548 H MET A 487 151.027 176.662 172.548 1.00 0.00 0.164 HD +ATOM 4549 C SER A 488 148.944 181.300 171.032 1.00 0.00 0.244 C +ATOM 4550 O SER A 488 148.260 182.312 171.180 1.00 0.00 -0.272 OA +ATOM 4551 CA SER A 488 150.273 181.140 171.756 1.00 0.00 0.197 C +ATOM 4552 N SER A 488 150.409 179.776 172.255 1.00 0.00 -0.342 N +ATOM 4553 CB SER A 488 151.428 181.495 170.823 1.00 0.00 0.191 C +ATOM 4554 OG SER A 488 151.567 180.528 169.798 1.00 0.00 -0.392 OA +ATOM 4555 HG SER A 488 152.205 180.735 169.292 1.00 0.00 0.210 HD +ATOM 4556 H SER A 488 151.105 179.362 171.964 1.00 0.00 0.164 HD +ATOM 4557 C ALA A 489 146.158 180.170 170.561 1.00 0.00 0.243 C +ATOM 4558 O ALA A 489 145.119 180.808 170.394 1.00 0.00 -0.272 OA +ATOM 4559 CA ALA A 489 147.303 180.271 169.559 1.00 0.00 0.168 C +ATOM 4560 N ALA A 489 148.584 180.287 170.252 1.00 0.00 -0.344 N +ATOM 4561 CB ALA A 489 147.250 179.119 168.570 1.00 0.00 0.041 C +ATOM 4562 H ALA A 489 149.068 179.591 170.106 1.00 0.00 0.164 HD +ATOM 4563 C GLU A 490 145.156 180.523 173.412 1.00 0.00 0.242 C +ATOM 4564 O GLU A 490 144.034 180.859 173.790 1.00 0.00 -0.273 OA +ATOM 4565 CA GLU A 490 145.366 179.212 172.661 1.00 0.00 0.171 C +ATOM 4566 N GLU A 490 146.356 179.364 171.600 1.00 0.00 -0.344 N +ATOM 4567 CB GLU A 490 145.793 178.115 173.639 1.00 0.00 0.041 C +ATOM 4568 CG GLU A 490 145.542 176.698 173.144 1.00 0.00 0.055 C +ATOM 4569 CD GLU A 490 144.085 176.288 173.241 1.00 0.00 0.041 C +ATOM 4570 OE1 GLU A 490 143.266 177.094 173.729 1.00 0.00 -0.548 OA +ATOM 4571 OE2 GLU A 490 143.761 175.153 172.832 1.00 0.00 -0.549 OA +ATOM 4572 H GLU A 490 147.064 178.890 171.714 1.00 0.00 0.164 HD +ATOM 4573 C LEU A 491 145.396 183.566 173.565 1.00 0.00 0.243 C +ATOM 4574 O LEU A 491 144.535 184.253 174.113 1.00 0.00 -0.272 OA +ATOM 4575 CA LEU A 491 146.175 182.523 174.352 1.00 0.00 0.172 C +ATOM 4576 N LEU A 491 146.243 181.256 173.633 1.00 0.00 -0.345 N +ATOM 4577 CB LEU A 491 147.578 183.051 174.651 1.00 0.00 0.038 C +ATOM 4578 CG LEU A 491 148.325 182.470 175.850 1.00 0.00 -0.015 C +ATOM 4579 CD1 LEU A 491 149.746 182.990 175.851 1.00 0.00 0.007 C +ATOM 4580 CD2 LEU A 491 147.628 182.830 177.155 1.00 0.00 0.007 C +ATOM 4581 H LEU A 491 147.034 181.040 173.376 1.00 0.00 0.165 HD +ATOM 4582 C GLU A 492 143.555 184.362 171.307 1.00 0.00 0.242 C +ATOM 4583 O GLU A 492 142.736 185.268 171.167 1.00 0.00 -0.273 OA +ATOM 4584 CA GLU A 492 145.042 184.670 171.432 1.00 0.00 0.171 C +ATOM 4585 N GLU A 492 145.707 183.689 172.278 1.00 0.00 -0.344 N +ATOM 4586 CB GLU A 492 145.687 184.717 170.047 1.00 0.00 0.041 C +ATOM 4587 CG GLU A 492 145.061 185.756 169.128 1.00 0.00 0.055 C +ATOM 4588 CD GLU A 492 145.974 186.166 167.990 1.00 0.00 0.041 C +ATOM 4589 OE1 GLU A 492 146.733 185.308 167.493 1.00 0.00 -0.548 OA +ATOM 4590 OE2 GLU A 492 145.936 187.352 167.597 1.00 0.00 -0.549 OA +ATOM 4591 H GLU A 492 146.299 183.216 171.872 1.00 0.00 0.164 HD +ATOM 4592 C ALA A 493 141.074 183.088 172.560 1.00 0.00 0.243 C +ATOM 4593 O ALA A 493 139.884 183.399 172.520 1.00 0.00 -0.272 OA +ATOM 4594 CA ALA A 493 141.815 182.670 171.294 1.00 0.00 0.168 C +ATOM 4595 N ALA A 493 143.210 183.082 171.361 1.00 0.00 -0.344 N +ATOM 4596 CB ALA A 493 141.715 181.171 171.090 1.00 0.00 0.041 C +ATOM 4597 H ALA A 493 143.767 182.431 171.437 1.00 0.00 0.164 HD +ATOM 4598 C LEU A 494 141.230 184.969 175.212 1.00 0.00 0.243 C +ATOM 4599 O LEU A 494 140.236 185.546 175.649 1.00 0.00 -0.272 OA +ATOM 4600 CA LEU A 494 141.207 183.461 174.969 1.00 0.00 0.172 C +ATOM 4601 N LEU A 494 141.789 183.098 173.680 1.00 0.00 -0.345 N +ATOM 4602 CB LEU A 494 141.950 182.749 176.103 1.00 0.00 0.038 C +ATOM 4603 CG LEU A 494 141.702 181.247 176.244 1.00 0.00 -0.015 C +ATOM 4604 CD1 LEU A 494 142.761 180.616 177.135 1.00 0.00 0.007 C +ATOM 4605 CD2 LEU A 494 140.315 180.989 176.804 1.00 0.00 0.007 C +ATOM 4606 H LEU A 494 142.624 182.897 173.721 1.00 0.00 0.165 HD +ATOM 4607 C TYR A 495 142.378 187.937 174.053 1.00 0.00 0.243 C +ATOM 4608 O TYR A 495 141.895 189.059 174.208 1.00 0.00 -0.272 OA +ATOM 4609 CA TYR A 495 142.573 187.008 175.247 1.00 0.00 0.175 C +ATOM 4610 N TYR A 495 142.365 185.598 174.922 1.00 0.00 -0.343 N +ATOM 4611 CB TYR A 495 143.977 187.213 175.817 1.00 0.00 0.070 C +ATOM 4612 CG TYR A 495 144.141 186.731 177.240 1.00 0.00 -0.045 A +ATOM 4613 CD1 TYR A 495 143.610 187.451 178.302 1.00 0.00 0.007 A +ATOM 4614 CD2 TYR A 495 144.838 185.564 177.525 1.00 0.00 0.007 A +ATOM 4615 CE1 TYR A 495 143.762 187.020 179.605 1.00 0.00 0.046 A +ATOM 4616 CE2 TYR A 495 144.994 185.127 178.827 1.00 0.00 0.046 A +ATOM 4617 CZ TYR A 495 144.454 185.859 179.860 1.00 0.00 0.115 A +ATOM 4618 OH TYR A 495 144.606 185.428 181.155 1.00 0.00 -0.507 OA +ATOM 4619 HH TYR A 495 144.231 185.963 181.682 1.00 0.00 0.294 HD +ATOM 4620 H TYR A 495 143.037 185.228 174.533 1.00 0.00 0.164 HD +ATOM 4621 C GLY A 496 143.822 189.261 171.519 1.00 0.00 0.239 C +ATOM 4622 O GLY A 496 144.519 189.261 170.505 1.00 0.00 -0.273 OA +ATOM 4623 CA GLY A 496 142.666 188.288 171.665 1.00 0.00 0.216 C +ATOM 4624 N GLY A 496 142.768 187.478 172.868 1.00 0.00 -0.346 N +ATOM 4625 H GLY A 496 143.097 186.694 172.735 1.00 0.00 0.164 HD +ATOM 4626 C ASP A 497 146.190 190.690 173.490 1.00 0.00 0.242 C +ATOM 4627 O ASP A 497 145.930 190.269 174.616 1.00 0.00 -0.273 OA +ATOM 4628 CA ASP A 497 145.070 191.101 172.539 1.00 0.00 0.176 C +ATOM 4629 N ASP A 497 144.019 190.090 172.540 1.00 0.00 -0.343 N +ATOM 4630 CB ASP A 497 144.492 192.460 172.945 1.00 0.00 0.087 C +ATOM 4631 CG ASP A 497 145.401 193.618 172.587 1.00 0.00 0.044 C +ATOM 4632 OD1 ASP A 497 146.638 193.448 172.612 1.00 0.00 -0.548 OA +ATOM 4633 OD2 ASP A 497 144.872 194.707 172.279 1.00 0.00 -0.549 OA +ATOM 4634 H ASP A 497 143.547 190.085 173.259 1.00 0.00 0.164 HD +ATOM 4635 C ILE A 498 148.657 191.349 175.082 1.00 0.00 0.243 C +ATOM 4636 O ILE A 498 149.153 190.949 176.133 1.00 0.00 -0.272 OA +ATOM 4637 CA ILE A 498 148.577 190.436 173.862 1.00 0.00 0.174 C +ATOM 4638 N ILE A 498 147.433 190.801 173.034 1.00 0.00 -0.343 N +ATOM 4639 CB ILE A 498 149.906 190.499 173.063 1.00 0.00 0.018 C +ATOM 4640 CG2 ILE A 498 150.132 191.892 172.493 1.00 0.00 0.010 C +ATOM 4641 CG1 ILE A 498 151.099 190.081 173.933 1.00 0.00 0.002 C +ATOM 4642 CD1 ILE A 498 151.050 188.640 174.406 1.00 0.00 0.004 C +ATOM 4643 H ILE A 498 147.642 191.085 172.250 1.00 0.00 0.164 HD +ATOM 4644 C ASP A 499 147.009 193.194 177.050 1.00 0.00 0.242 C +ATOM 4645 O ASP A 499 146.848 193.890 178.051 1.00 0.00 -0.273 OA +ATOM 4646 CA ASP A 499 148.125 193.518 176.055 1.00 0.00 0.176 C +ATOM 4647 N ASP A 499 148.152 192.572 174.944 1.00 0.00 -0.343 N +ATOM 4648 CB ASP A 499 147.949 194.949 175.540 1.00 0.00 0.087 C +ATOM 4649 CG ASP A 499 149.073 195.384 174.622 1.00 0.00 0.044 C +ATOM 4650 OD1 ASP A 499 150.173 195.686 175.131 1.00 0.00 -0.548 OA +ATOM 4651 OD2 ASP A 499 148.857 195.434 173.392 1.00 0.00 -0.549 OA +ATOM 4652 H ASP A 499 147.817 192.879 174.213 1.00 0.00 0.164 HD +ATOM 4653 C ALA A 500 145.496 190.493 178.453 1.00 0.00 0.243 C +ATOM 4654 O ALA A 500 144.729 190.079 179.321 1.00 0.00 -0.272 OA +ATOM 4655 CA ALA A 500 145.141 191.733 177.636 1.00 0.00 0.168 C +ATOM 4656 N ALA A 500 146.244 192.143 176.768 1.00 0.00 -0.344 N +ATOM 4657 CB ALA A 500 143.894 191.475 176.813 1.00 0.00 0.041 C +ATOM 4658 H ALA A 500 146.344 191.645 176.074 1.00 0.00 0.164 HD +ATOM 4659 C VAL A 501 147.355 189.080 180.371 1.00 0.00 0.243 C +ATOM 4660 O VAL A 501 148.003 190.085 180.657 1.00 0.00 -0.272 OA +ATOM 4661 CA VAL A 501 147.077 188.716 178.916 1.00 0.00 0.173 C +ATOM 4662 N VAL A 501 146.652 189.899 178.179 1.00 0.00 -0.343 N +ATOM 4663 CB VAL A 501 148.335 188.075 178.302 1.00 0.00 0.015 C +ATOM 4664 CG1 VAL A 501 148.669 186.772 179.020 1.00 0.00 0.010 C +ATOM 4665 CG2 VAL A 501 148.130 187.817 176.819 1.00 0.00 0.010 C +ATOM 4666 H VAL A 501 147.206 190.160 177.575 1.00 0.00 0.164 HD +ATOM 4667 C GLU A 502 148.380 188.083 183.219 1.00 0.00 0.242 C +ATOM 4668 O GLU A 502 149.101 187.339 182.556 1.00 0.00 -0.273 OA +ATOM 4669 CA GLU A 502 147.004 188.497 182.711 1.00 0.00 0.171 C +ATOM 4670 N GLU A 502 146.860 188.251 181.283 1.00 0.00 -0.344 N +ATOM 4671 CB GLU A 502 145.914 187.758 183.483 1.00 0.00 0.041 C +ATOM 4672 CG GLU A 502 144.547 188.401 183.374 1.00 0.00 0.055 C +ATOM 4673 CD GLU A 502 143.434 187.470 183.800 1.00 0.00 0.041 C +ATOM 4674 OE1 GLU A 502 142.893 187.653 184.909 1.00 0.00 -0.548 OA +ATOM 4675 OE2 GLU A 502 143.097 186.554 183.021 1.00 0.00 -0.549 OA +ATOM 4676 H GLU A 502 146.430 187.530 181.097 1.00 0.00 0.164 HD +ATOM 4677 C LEU A 503 150.392 186.896 185.228 1.00 0.00 0.243 C +ATOM 4678 O LEU A 503 151.380 186.380 184.706 1.00 0.00 -0.272 OA +ATOM 4679 CA LEU A 503 150.059 188.365 184.969 1.00 0.00 0.172 C +ATOM 4680 N LEU A 503 148.729 188.566 184.406 1.00 0.00 -0.345 N +ATOM 4681 CB LEU A 503 150.194 189.158 186.273 1.00 0.00 0.038 C +ATOM 4682 CG LEU A 503 151.463 188.921 187.097 1.00 0.00 -0.015 C +ATOM 4683 CD1 LEU A 503 152.711 189.196 186.271 1.00 0.00 0.007 C +ATOM 4684 CD2 LEU A 503 151.452 189.779 188.353 1.00 0.00 0.007 C +ATOM 4685 H LEU A 503 148.204 189.021 184.914 1.00 0.00 0.165 HD +ATOM 4686 C TYR A 504 150.013 183.852 185.374 1.00 0.00 0.243 C +ATOM 4687 O TYR A 504 150.989 183.106 185.318 1.00 0.00 -0.272 OA +ATOM 4688 CA TYR A 504 149.903 184.880 186.502 1.00 0.00 0.175 C +ATOM 4689 N TYR A 504 149.575 186.228 186.037 1.00 0.00 -0.343 N +ATOM 4690 CB TYR A 504 148.875 184.400 187.526 1.00 0.00 0.070 C +ATOM 4691 CG TYR A 504 149.168 183.019 188.059 1.00 0.00 -0.045 A +ATOM 4692 CD1 TYR A 504 148.291 181.966 187.843 1.00 0.00 0.007 A +ATOM 4693 CD2 TYR A 504 150.334 182.766 188.763 1.00 0.00 0.007 A +ATOM 4694 CE1 TYR A 504 148.562 180.700 188.326 1.00 0.00 0.046 A +ATOM 4695 CE2 TYR A 504 150.616 181.505 189.247 1.00 0.00 0.046 A +ATOM 4696 CZ TYR A 504 149.728 180.477 189.028 1.00 0.00 0.115 A +ATOM 4697 OH TYR A 504 150.010 179.221 189.511 1.00 0.00 -0.507 OA +ATOM 4698 HH TYR A 504 150.746 179.228 189.916 1.00 0.00 0.294 HD +ATOM 4699 H TYR A 504 148.826 186.531 186.332 1.00 0.00 0.164 HD +ATOM 4700 C PRO A 505 150.305 183.005 182.498 1.00 0.00 0.243 C +ATOM 4701 O PRO A 505 150.957 182.041 182.102 1.00 0.00 -0.271 OA +ATOM 4702 CA PRO A 505 149.103 182.792 183.410 1.00 0.00 0.175 C +ATOM 4703 N PRO A 505 149.017 183.800 184.472 1.00 0.00 -0.329 N +ATOM 4704 CB PRO A 505 147.792 182.982 182.634 1.00 0.00 0.037 C +ATOM 4705 CG PRO A 505 146.899 183.748 183.546 1.00 0.00 0.024 C +ATOM 4706 CD PRO A 505 147.804 184.624 184.338 1.00 0.00 0.121 C +ATOM 4707 C ALA A 506 153.029 184.138 181.898 1.00 0.00 0.243 C +ATOM 4708 O ALA A 506 153.902 183.664 181.176 1.00 0.00 -0.272 OA +ATOM 4709 CA ALA A 506 151.702 184.604 181.305 1.00 0.00 0.168 C +ATOM 4710 N ALA A 506 150.588 184.263 182.177 1.00 0.00 -0.344 N +ATOM 4711 CB ALA A 506 151.732 186.095 181.057 1.00 0.00 0.041 C +ATOM 4712 H ALA A 506 150.144 184.944 182.456 1.00 0.00 0.164 HD +ATOM 4713 C LEU A 507 154.693 182.387 183.729 1.00 0.00 0.243 C +ATOM 4714 O LEU A 507 155.855 181.989 183.654 1.00 0.00 -0.272 OA +ATOM 4715 CA LEU A 507 154.395 183.870 183.903 1.00 0.00 0.172 C +ATOM 4716 N LEU A 507 153.171 184.272 183.213 1.00 0.00 -0.345 N +ATOM 4717 CB LEU A 507 154.300 184.192 185.397 1.00 0.00 0.038 C +ATOM 4718 CG LEU A 507 154.512 185.643 185.829 1.00 0.00 -0.015 C +ATOM 4719 CD1 LEU A 507 154.192 185.794 187.306 1.00 0.00 0.007 C +ATOM 4720 CD2 LEU A 507 155.934 186.091 185.545 1.00 0.00 0.007 C +ATOM 4721 H LEU A 507 152.568 184.596 183.734 1.00 0.00 0.165 HD +ATOM 4722 C LEU A 508 153.933 179.610 182.171 1.00 0.00 0.243 C +ATOM 4723 O LEU A 508 154.560 178.576 181.940 1.00 0.00 -0.272 OA +ATOM 4724 CA LEU A 508 153.809 180.123 183.605 1.00 0.00 0.172 C +ATOM 4725 N LEU A 508 153.645 181.572 183.673 1.00 0.00 -0.345 N +ATOM 4726 CB LEU A 508 152.643 179.427 184.308 1.00 0.00 0.038 C +ATOM 4727 CG LEU A 508 152.500 179.706 185.811 1.00 0.00 -0.015 C +ATOM 4728 CD1 LEU A 508 151.410 178.838 186.408 1.00 0.00 0.007 C +ATOM 4729 CD2 LEU A 508 153.809 179.485 186.553 1.00 0.00 0.007 C +ATOM 4730 H LEU A 508 152.825 181.833 183.672 1.00 0.00 0.165 HD +ATOM 4731 C VAL A 509 154.617 180.637 179.120 1.00 0.00 0.243 C +ATOM 4732 O VAL A 509 154.857 180.419 177.933 1.00 0.00 -0.272 OA +ATOM 4733 CA VAL A 509 153.454 179.931 179.811 1.00 0.00 0.173 C +ATOM 4734 N VAL A 509 153.346 180.322 181.215 1.00 0.00 -0.343 N +ATOM 4735 CB VAL A 509 152.160 180.231 179.014 1.00 0.00 0.015 C +ATOM 4736 CG1 VAL A 509 150.969 179.526 179.642 1.00 0.00 0.010 C +ATOM 4737 CG2 VAL A 509 151.914 181.731 178.920 1.00 0.00 0.010 C +ATOM 4738 H VAL A 509 152.881 181.033 181.350 1.00 0.00 0.164 HD +ATOM 4739 C GLU A 510 157.558 181.351 178.791 1.00 0.00 0.242 C +ATOM 4740 O GLU A 510 157.893 180.365 179.445 1.00 0.00 -0.273 OA +ATOM 4741 CA GLU A 510 156.422 182.253 179.252 1.00 0.00 0.171 C +ATOM 4742 N GLU A 510 155.337 181.482 179.852 1.00 0.00 -0.344 N +ATOM 4743 CB GLU A 510 156.969 183.296 180.231 1.00 0.00 0.041 C +ATOM 4744 CG GLU A 510 158.006 184.221 179.601 1.00 0.00 0.055 C +ATOM 4745 CD GLU A 510 158.519 185.293 180.549 1.00 0.00 0.041 C +ATOM 4746 OE1 GLU A 510 158.547 185.054 181.776 1.00 0.00 -0.548 OA +ATOM 4747 OE2 GLU A 510 158.896 186.379 180.060 1.00 0.00 -0.549 OA +ATOM 4748 H GLU A 510 155.219 181.628 180.691 1.00 0.00 0.164 HD +ATOM 4749 C LYS A 511 160.426 181.039 178.216 1.00 0.00 0.242 C +ATOM 4750 O LYS A 511 160.895 182.094 178.644 1.00 0.00 -0.273 OA +ATOM 4751 CA LYS A 511 159.337 181.064 177.140 1.00 0.00 0.171 C +ATOM 4752 N LYS A 511 158.133 181.704 177.647 1.00 0.00 -0.344 N +ATOM 4753 CB LYS A 511 159.832 181.810 175.901 1.00 0.00 0.035 C +ATOM 4754 CG LYS A 511 161.056 181.215 175.221 1.00 0.00 0.008 C +ATOM 4755 CD LYS A 511 161.768 182.281 174.402 1.00 0.00 0.061 C +ATOM 4756 CE LYS A 511 162.439 181.705 173.167 1.00 0.00 0.258 C +ATOM 4757 NZ LYS A 511 163.435 180.650 173.492 1.00 0.00 -0.357 N +ATOM 4758 HZ1 LYS A 511 163.804 180.340 172.744 1.00 0.00 0.345 HD +ATOM 4759 HZ2 LYS A 511 164.074 180.986 174.013 1.00 0.00 0.345 HD +ATOM 4760 HZ3 LYS A 511 163.037 179.978 173.919 1.00 0.00 0.345 HD +ATOM 4761 H LYS A 511 157.836 182.328 177.135 1.00 0.00 0.164 HD +ATOM 4762 C PRO A 512 163.237 180.282 179.096 1.00 0.00 0.243 C +ATOM 4763 O PRO A 512 163.405 180.320 177.878 1.00 0.00 -0.271 OA +ATOM 4764 CA PRO A 512 161.907 179.808 179.663 1.00 0.00 0.175 C +ATOM 4765 N PRO A 512 160.828 179.841 178.670 1.00 0.00 -0.329 N +ATOM 4766 CB PRO A 512 161.992 178.324 180.048 1.00 0.00 0.037 C +ATOM 4767 CG PRO A 512 160.718 177.715 179.586 1.00 0.00 0.024 C +ATOM 4768 CD PRO A 512 160.298 178.496 178.391 1.00 0.00 0.121 C +ATOM 4769 C ARG A 513 166.097 179.474 179.130 1.00 0.00 0.242 C +ATOM 4770 O ARG A 513 165.522 178.445 179.481 1.00 0.00 -0.273 OA +ATOM 4771 CA ARG A 513 165.551 180.835 179.558 1.00 0.00 0.171 C +ATOM 4772 N ARG A 513 164.170 180.641 179.971 1.00 0.00 -0.344 N +ATOM 4773 CB ARG A 513 166.394 181.433 180.688 1.00 0.00 0.038 C +ATOM 4774 CG ARG A 513 166.756 182.903 180.510 1.00 0.00 0.040 C +ATOM 4775 CD ARG A 513 165.555 183.819 180.682 1.00 0.00 0.197 C +ATOM 4776 NE ARG A 513 165.948 185.227 180.744 1.00 0.00 -0.278 N +ATOM 4777 HE ARG A 513 165.962 185.670 180.007 1.00 0.00 0.260 HD +ATOM 4778 CZ ARG A 513 166.286 185.872 181.857 1.00 0.00 0.339 C +ATOM 4779 NH1 ARG A 513 166.286 185.249 183.028 1.00 0.00 -0.290 N +ATOM 4780 NH2 ARG A 513 166.629 187.153 181.803 1.00 0.00 -0.290 N +ATOM 4781 HH12 ARG A 513 166.066 184.419 183.074 1.00 0.00 0.256 HD +ATOM 4782 HH11 ARG A 513 166.507 185.675 183.742 1.00 0.00 0.256 HD +ATOM 4783 HH22 ARG A 513 166.631 187.566 181.049 1.00 0.00 0.256 HD +ATOM 4784 HH21 ARG A 513 166.847 187.571 182.522 1.00 0.00 0.256 HD +ATOM 4785 H ARG A 513 164.028 180.779 180.808 1.00 0.00 0.164 HD +ATOM 4786 C PRO A 514 168.051 177.182 178.974 1.00 0.00 0.243 C +ATOM 4787 O PRO A 514 168.916 177.414 179.816 1.00 0.00 -0.271 OA +ATOM 4788 CA PRO A 514 167.762 178.198 177.868 1.00 0.00 0.175 C +ATOM 4789 N PRO A 514 167.206 179.460 178.373 1.00 0.00 -0.329 N +ATOM 4790 CB PRO A 514 169.058 178.639 177.176 1.00 0.00 0.037 C +ATOM 4791 CG PRO A 514 168.840 180.068 176.832 1.00 0.00 0.024 C +ATOM 4792 CD PRO A 514 167.986 180.626 177.924 1.00 0.00 0.121 C +ATOM 4793 C ASP A 515 167.311 175.632 181.391 1.00 0.00 0.242 C +ATOM 4794 O ASP A 515 167.963 175.178 182.332 1.00 0.00 -0.273 OA +ATOM 4795 CA ASP A 515 167.441 175.038 179.988 1.00 0.00 0.176 C +ATOM 4796 N ASP A 515 167.321 176.068 178.958 1.00 0.00 -0.343 N +ATOM 4797 CB ASP A 515 168.771 174.294 179.855 1.00 0.00 0.087 C +ATOM 4798 CG ASP A 515 168.884 173.533 178.550 1.00 0.00 0.044 C +ATOM 4799 OD1 ASP A 515 168.260 172.458 178.433 1.00 0.00 -0.548 OA +ATOM 4800 OD2 ASP A 515 169.601 174.008 177.644 1.00 0.00 -0.549 OA +ATOM 4801 H ASP A 515 166.740 175.883 178.352 1.00 0.00 0.164 HD +ATOM 4802 C ALA A 516 164.830 176.941 183.310 1.00 0.00 0.243 C +ATOM 4803 O ALA A 516 163.961 176.518 182.547 1.00 0.00 -0.272 OA +ATOM 4804 CA ALA A 516 166.216 177.303 182.797 1.00 0.00 0.168 C +ATOM 4805 N ALA A 516 166.468 176.652 181.516 1.00 0.00 -0.344 N +ATOM 4806 CB ALA A 516 166.355 178.805 182.666 1.00 0.00 0.041 C +ATOM 4807 H ALA A 516 166.023 176.991 180.863 1.00 0.00 0.164 HD +ATOM 4808 C ILE A 517 162.345 177.914 185.027 1.00 0.00 0.243 C +ATOM 4809 O ILE A 517 161.139 177.674 184.994 1.00 0.00 -0.272 OA +ATOM 4810 CA ILE A 517 163.359 176.789 185.238 1.00 0.00 0.174 C +ATOM 4811 N ILE A 517 164.629 177.114 184.611 1.00 0.00 -0.343 N +ATOM 4812 CB ILE A 517 163.541 176.517 186.751 1.00 0.00 0.018 C +ATOM 4813 CG2 ILE A 517 163.994 177.780 187.475 1.00 0.00 0.010 C +ATOM 4814 CG1 ILE A 517 162.246 175.975 187.356 1.00 0.00 0.002 C +ATOM 4815 CD1 ILE A 517 162.402 175.473 188.778 1.00 0.00 0.004 C +ATOM 4816 H ILE A 517 165.219 177.422 185.155 1.00 0.00 0.164 HD +ATOM 4817 C PHE A 518 162.201 181.056 183.428 1.00 0.00 0.243 C +ATOM 4818 O PHE A 518 163.226 180.905 182.764 1.00 0.00 -0.272 OA +ATOM 4819 CA PHE A 518 162.000 180.322 184.747 1.00 0.00 0.175 C +ATOM 4820 N PHE A 518 162.847 179.136 184.872 1.00 0.00 -0.343 N +ATOM 4821 CB PHE A 518 162.274 181.299 185.894 1.00 0.00 0.070 C +ATOM 4822 CG PHE A 518 161.949 180.756 187.252 1.00 0.00 -0.045 A +ATOM 4823 CD1 PHE A 518 160.754 180.098 187.486 1.00 0.00 0.004 A +ATOM 4824 CD2 PHE A 518 162.843 180.902 188.298 1.00 0.00 0.004 A +ATOM 4825 CE1 PHE A 518 160.456 179.601 188.737 1.00 0.00 0.000 A +ATOM 4826 CE2 PHE A 518 162.552 180.403 189.550 1.00 0.00 0.000 A +ATOM 4827 CZ PHE A 518 161.357 179.752 189.771 1.00 0.00 0.000 A +ATOM 4828 H PHE A 518 163.689 179.309 184.836 1.00 0.00 0.164 HD +ATOM 4829 C GLY A 519 161.857 184.115 182.462 1.00 0.00 0.239 C +ATOM 4830 O GLY A 519 162.063 184.294 183.662 1.00 0.00 -0.273 OA +ATOM 4831 CA GLY A 519 161.321 182.788 181.963 1.00 0.00 0.216 C +ATOM 4832 N GLY A 519 161.205 181.859 183.068 1.00 0.00 -0.346 N +ATOM 4833 H GLY A 519 160.439 181.880 183.459 1.00 0.00 0.164 HD +ATOM 4834 C GLU A 520 161.878 187.106 182.921 1.00 0.00 0.242 C +ATOM 4835 O GLU A 520 162.460 187.625 183.871 1.00 0.00 -0.273 OA +ATOM 4836 CA GLU A 520 162.662 186.340 181.854 1.00 0.00 0.171 C +ATOM 4837 N GLU A 520 162.079 185.042 181.539 1.00 0.00 -0.344 N +ATOM 4838 CB GLU A 520 162.755 187.183 180.579 1.00 0.00 0.041 C +ATOM 4839 CG GLU A 520 163.258 188.610 180.783 1.00 0.00 0.055 C +ATOM 4840 CD GLU A 520 163.209 189.433 179.512 1.00 0.00 0.041 C +ATOM 4841 OE1 GLU A 520 162.293 189.208 178.692 1.00 0.00 -0.548 OA +ATOM 4842 OE2 GLU A 520 164.085 190.306 179.332 1.00 0.00 -0.549 OA +ATOM 4843 H GLU A 520 161.896 184.941 180.705 1.00 0.00 0.164 HD +ATOM 4844 C THR A 521 159.687 187.580 185.051 1.00 0.00 0.245 C +ATOM 4845 O THR A 521 159.675 188.411 185.958 1.00 0.00 -0.273 OA +ATOM 4846 CA THR A 521 159.735 188.036 183.595 1.00 0.00 0.199 C +ATOM 4847 N THR A 521 160.561 187.169 182.761 1.00 0.00 -0.341 N +ATOM 4848 CB THR A 521 158.297 188.118 183.058 1.00 0.00 0.143 C +ATOM 4849 CG2 THR A 521 157.517 189.202 183.788 1.00 0.00 0.041 C +ATOM 4850 OG1 THR A 521 158.324 188.416 181.657 1.00 0.00 -0.389 OA +ATOM 4851 HG1 THR A 521 158.738 187.814 181.243 1.00 0.00 0.211 HD +ATOM 4852 H THR A 521 160.120 186.718 182.177 1.00 0.00 0.164 HD +ATOM 4853 C MET A 522 160.846 186.219 187.408 1.00 0.00 0.242 C +ATOM 4854 O MET A 522 160.723 186.657 188.549 1.00 0.00 -0.272 OA +ATOM 4855 CA MET A 522 159.633 185.727 186.626 1.00 0.00 0.172 C +ATOM 4856 N MET A 522 159.647 186.270 185.272 1.00 0.00 -0.344 N +ATOM 4857 CB MET A 522 159.614 184.198 186.596 1.00 0.00 0.046 C +ATOM 4858 CG MET A 522 159.572 183.540 187.974 1.00 0.00 0.072 C +ATOM 4859 SD MET A 522 157.954 183.648 188.755 1.00 0.00 -0.165 SA +ATOM 4860 CE MET A 522 157.078 182.354 187.881 1.00 0.00 0.085 C +ATOM 4861 H MET A 522 159.627 185.673 184.654 1.00 0.00 0.164 HD +ATOM 4862 C VAL A 523 163.319 188.058 187.664 1.00 0.00 0.243 C +ATOM 4863 O VAL A 523 163.590 188.500 188.778 1.00 0.00 -0.272 OA +ATOM 4864 CA VAL A 523 163.257 186.553 187.422 1.00 0.00 0.173 C +ATOM 4865 N VAL A 523 162.013 186.148 186.781 1.00 0.00 -0.343 N +ATOM 4866 CB VAL A 523 164.475 186.126 186.575 1.00 0.00 0.015 C +ATOM 4867 CG1 VAL A 523 165.768 186.780 187.086 1.00 0.00 0.010 C +ATOM 4868 CG2 VAL A 523 164.607 184.614 186.578 1.00 0.00 0.010 C +ATOM 4869 H VAL A 523 162.113 185.865 185.975 1.00 0.00 0.164 HD +ATOM 4870 C GLU A 524 162.274 190.983 187.587 1.00 0.00 0.242 C +ATOM 4871 O GLU A 524 162.542 192.065 188.106 1.00 0.00 -0.273 OA +ATOM 4872 CA GLU A 524 163.295 190.284 186.693 1.00 0.00 0.171 C +ATOM 4873 N GLU A 524 163.076 188.843 186.621 1.00 0.00 -0.344 N +ATOM 4874 CB GLU A 524 163.272 190.897 185.291 1.00 0.00 0.041 C +ATOM 4875 CG GLU A 524 164.323 190.323 184.346 1.00 0.00 0.055 C +ATOM 4876 CD GLU A 524 165.738 190.470 184.874 1.00 0.00 0.041 C +ATOM 4877 OE1 GLU A 524 166.072 191.552 185.399 1.00 0.00 -0.548 OA +ATOM 4878 OE2 GLU A 524 166.516 189.498 184.764 1.00 0.00 -0.549 OA +ATOM 4879 H GLU A 524 162.784 188.567 185.860 1.00 0.00 0.164 HD +ATOM 4880 C VAL A 525 160.310 190.365 190.089 1.00 0.00 0.243 C +ATOM 4881 O VAL A 525 160.110 191.083 191.069 1.00 0.00 -0.272 OA +ATOM 4882 CA VAL A 525 160.094 190.896 188.674 1.00 0.00 0.173 C +ATOM 4883 N VAL A 525 161.110 190.366 187.769 1.00 0.00 -0.343 N +ATOM 4884 CB VAL A 525 158.667 190.538 188.207 1.00 0.00 0.015 C +ATOM 4885 CG1 VAL A 525 157.625 190.996 189.225 1.00 0.00 0.010 C +ATOM 4886 CG2 VAL A 525 158.383 191.163 186.849 1.00 0.00 0.010 C +ATOM 4887 H VAL A 525 160.883 189.635 187.378 1.00 0.00 0.164 HD +ATOM 4888 C GLY A 526 162.087 188.862 192.271 1.00 0.00 0.239 C +ATOM 4889 O GLY A 526 161.993 189.062 193.480 1.00 0.00 -0.273 OA +ATOM 4890 CA GLY A 526 160.866 188.445 191.470 1.00 0.00 0.216 C +ATOM 4891 N GLY A 526 160.726 189.107 190.185 1.00 0.00 -0.346 N +ATOM 4892 H GLY A 526 160.935 188.613 189.513 1.00 0.00 0.164 HD +ATOM 4893 C ALA A 527 164.505 190.481 193.181 1.00 0.00 0.243 C +ATOM 4894 O ALA A 527 165.047 190.438 194.283 1.00 0.00 -0.272 OA +ATOM 4895 CA ALA A 527 164.501 189.236 192.284 1.00 0.00 0.168 C +ATOM 4896 N ALA A 527 163.229 188.997 191.602 1.00 0.00 -0.344 N +ATOM 4897 CB ALA A 527 165.631 189.327 191.261 1.00 0.00 0.041 C +ATOM 4898 H ALA A 527 163.295 188.955 190.746 1.00 0.00 0.164 HD +ATOM 4899 C PRO A 528 163.071 192.610 194.863 1.00 0.00 0.243 C +ATOM 4900 O PRO A 528 163.559 193.004 195.921 1.00 0.00 -0.271 OA +ATOM 4901 CA PRO A 528 163.844 192.797 193.554 1.00 0.00 0.175 C +ATOM 4902 N PRO A 528 163.908 191.592 192.717 1.00 0.00 -0.329 N +ATOM 4903 CB PRO A 528 163.126 193.804 192.651 1.00 0.00 0.037 C +ATOM 4904 CG PRO A 528 163.399 193.340 191.282 1.00 0.00 0.024 C +ATOM 4905 CD PRO A 528 163.392 191.854 191.362 1.00 0.00 0.121 C +ATOM 4906 C PHE A 529 161.892 190.886 196.947 1.00 0.00 0.243 C +ATOM 4907 O PHE A 529 161.895 191.129 198.153 1.00 0.00 -0.272 OA +ATOM 4908 CA PHE A 529 161.087 191.741 195.974 1.00 0.00 0.175 C +ATOM 4909 N PHE A 529 161.874 192.040 194.782 1.00 0.00 -0.343 N +ATOM 4910 CB PHE A 529 159.794 191.013 195.600 1.00 0.00 0.070 C +ATOM 4911 CG PHE A 529 158.823 191.844 194.808 1.00 0.00 -0.045 A +ATOM 4912 CD1 PHE A 529 158.480 193.120 195.217 1.00 0.00 0.004 A +ATOM 4913 CD2 PHE A 529 158.247 191.341 193.656 1.00 0.00 0.004 A +ATOM 4914 CE1 PHE A 529 157.584 193.876 194.492 1.00 0.00 0.000 A +ATOM 4915 CE2 PHE A 529 157.350 192.095 192.926 1.00 0.00 0.000 A +ATOM 4916 CZ PHE A 529 157.018 193.363 193.345 1.00 0.00 0.000 A +ATOM 4917 H PHE A 529 161.492 191.815 194.044 1.00 0.00 0.164 HD +ATOM 4918 C SER A 530 164.488 189.614 197.948 1.00 0.00 0.244 C +ATOM 4919 O SER A 530 164.605 189.509 199.164 1.00 0.00 -0.272 OA +ATOM 4920 CA SER A 530 163.335 188.940 197.214 1.00 0.00 0.197 C +ATOM 4921 N SER A 530 162.579 189.886 196.406 1.00 0.00 -0.342 N +ATOM 4922 CB SER A 530 163.871 187.809 196.334 1.00 0.00 0.191 C +ATOM 4923 OG SER A 530 164.668 186.912 197.088 1.00 0.00 -0.392 OA +ATOM 4924 HG SER A 530 164.955 186.298 196.592 1.00 0.00 0.210 HD +ATOM 4925 H SER A 530 162.622 189.733 195.561 1.00 0.00 0.164 HD +ATOM 4926 C LEU A 531 166.141 192.008 198.781 1.00 0.00 0.243 C +ATOM 4927 O LEU A 531 166.828 192.204 199.783 1.00 0.00 -0.272 OA +ATOM 4928 CA LEU A 531 166.519 190.938 197.771 1.00 0.00 0.172 C +ATOM 4929 N LEU A 531 165.339 190.304 197.200 1.00 0.00 -0.345 N +ATOM 4930 CB LEU A 531 167.375 191.544 196.667 1.00 0.00 0.038 C +ATOM 4931 CG LEU A 531 168.035 190.520 195.749 1.00 0.00 -0.015 C +ATOM 4932 CD1 LEU A 531 168.548 191.195 194.489 1.00 0.00 0.007 C +ATOM 4933 CD2 LEU A 531 169.162 189.815 196.480 1.00 0.00 0.007 C +ATOM 4934 H LEU A 531 165.254 190.421 196.353 1.00 0.00 0.165 HD +ATOM 4935 C LYS A 532 164.067 193.187 200.695 1.00 0.00 0.242 C +ATOM 4936 O LYS A 532 164.187 193.819 201.744 1.00 0.00 -0.273 OA +ATOM 4937 CA LYS A 532 164.569 193.761 199.370 1.00 0.00 0.171 C +ATOM 4938 N LYS A 532 165.044 192.697 198.503 1.00 0.00 -0.344 N +ATOM 4939 CB LYS A 532 163.469 194.549 198.661 1.00 0.00 0.035 C +ATOM 4940 CG LYS A 532 162.951 195.738 199.425 1.00 0.00 0.008 C +ATOM 4941 CD LYS A 532 164.026 196.780 199.660 1.00 0.00 0.061 C +ATOM 4942 CE LYS A 532 163.453 197.947 200.427 1.00 0.00 0.258 C +ATOM 4943 NZ LYS A 532 164.480 198.658 201.207 1.00 0.00 -0.357 N +ATOM 4944 HZ1 LYS A 532 164.111 199.338 201.647 1.00 0.00 0.345 HD +ATOM 4945 HZ2 LYS A 532 164.854 198.103 201.794 1.00 0.00 0.345 HD +ATOM 4946 HZ3 LYS A 532 165.111 198.973 200.664 1.00 0.00 0.345 HD +ATOM 4947 H LYS A 532 164.553 192.565 197.810 1.00 0.00 0.164 HD +ATOM 4948 C GLY A 533 164.218 190.746 202.637 1.00 0.00 0.239 C +ATOM 4949 O GLY A 533 164.170 190.687 203.865 1.00 0.00 -0.273 OA +ATOM 4950 CA GLY A 533 163.054 191.302 201.838 1.00 0.00 0.216 C +ATOM 4951 N GLY A 533 163.512 191.981 200.641 1.00 0.00 -0.346 N +ATOM 4952 H GLY A 533 163.390 191.535 199.916 1.00 0.00 0.164 HD +ATOM 4953 C LEU A 534 167.371 190.772 203.192 1.00 0.00 0.243 C +ATOM 4954 O LEU A 534 167.691 190.685 204.377 1.00 0.00 -0.272 OA +ATOM 4955 CA LEU A 534 166.434 189.736 202.565 1.00 0.00 0.172 C +ATOM 4956 N LEU A 534 165.271 190.347 201.934 1.00 0.00 -0.345 N +ATOM 4957 CB LEU A 534 167.195 188.889 201.542 1.00 0.00 0.038 C +ATOM 4958 CG LEU A 534 166.442 187.658 201.031 1.00 0.00 -0.015 C +ATOM 4959 CD1 LEU A 534 167.065 187.136 199.749 1.00 0.00 0.007 C +ATOM 4960 CD2 LEU A 534 166.414 186.569 202.090 1.00 0.00 0.007 C +ATOM 4961 H LEU A 534 165.337 190.419 201.080 1.00 0.00 0.165 HD +ATOM 4962 C MET A 535 168.060 193.877 203.644 1.00 0.00 0.242 C +ATOM 4963 O MET A 535 168.704 194.617 204.387 1.00 0.00 -0.272 OA +ATOM 4964 CA MET A 535 168.753 192.751 202.884 1.00 0.00 0.172 C +ATOM 4965 N MET A 535 167.805 191.750 202.403 1.00 0.00 -0.344 N +ATOM 4966 CB MET A 535 169.557 193.331 201.720 1.00 0.00 0.046 C +ATOM 4967 CG MET A 535 170.387 192.306 200.951 1.00 0.00 0.072 C +ATOM 4968 SD MET A 535 171.418 191.253 201.994 1.00 0.00 -0.165 SA +ATOM 4969 CE MET A 535 172.508 192.456 202.751 1.00 0.00 0.085 C +ATOM 4970 H MET A 535 167.566 191.856 201.584 1.00 0.00 0.164 HD +ATOM 4971 C GLY A 536 165.719 194.641 205.612 1.00 0.00 0.239 C +ATOM 4972 O GLY A 536 165.145 195.425 206.365 1.00 0.00 -0.273 OA +ATOM 4973 CA GLY A 536 165.982 195.014 204.166 1.00 0.00 0.216 C +ATOM 4974 N GLY A 536 166.751 194.005 203.461 1.00 0.00 -0.346 N +ATOM 4975 H GLY A 536 166.285 193.515 202.929 1.00 0.00 0.164 HD +ATOM 4976 C ASN A 537 166.822 193.774 208.346 1.00 0.00 0.242 C +ATOM 4977 O ASN A 537 167.960 194.135 208.042 1.00 0.00 -0.273 OA +ATOM 4978 CA ASN A 537 165.970 192.970 207.368 1.00 0.00 0.180 C +ATOM 4979 N ASN A 537 166.132 193.440 205.999 1.00 0.00 -0.342 N +ATOM 4980 CB ASN A 537 166.330 191.487 207.452 1.00 0.00 0.134 C +ATOM 4981 CG ASN A 537 165.869 190.844 208.743 1.00 0.00 0.220 C +ATOM 4982 OD1 ASN A 537 166.513 190.975 209.781 1.00 0.00 -0.275 OA +ATOM 4983 ND2 ASN A 537 164.750 190.137 208.681 1.00 0.00 -0.368 N +ATOM 4984 HD22 ASN A 537 164.445 189.751 209.386 1.00 0.00 0.159 HD +ATOM 4985 HD21 ASN A 537 164.328 190.063 207.935 1.00 0.00 0.159 HD +ATOM 4986 H ASN A 537 166.515 192.872 205.480 1.00 0.00 0.164 HD +ATOM 4987 C VAL A 538 168.325 194.366 210.920 1.00 0.00 0.243 C +ATOM 4988 O VAL A 538 169.196 195.173 211.238 1.00 0.00 -0.272 OA +ATOM 4989 CA VAL A 538 166.926 194.866 210.534 1.00 0.00 0.173 C +ATOM 4990 N VAL A 538 166.266 194.043 209.524 1.00 0.00 -0.343 N +ATOM 4991 CB VAL A 538 166.054 194.969 211.827 1.00 0.00 0.015 C +ATOM 4992 CG1 VAL A 538 165.661 193.596 212.331 1.00 0.00 0.010 C +ATOM 4993 CG2 VAL A 538 166.771 195.752 212.920 1.00 0.00 0.010 C +ATOM 4994 H VAL A 538 165.492 193.755 209.766 1.00 0.00 0.164 HD +ATOM 4995 C ILE A 539 170.954 192.881 210.323 1.00 0.00 0.243 C +ATOM 4996 O ILE A 539 172.138 192.753 210.634 1.00 0.00 -0.272 OA +ATOM 4997 CA ILE A 539 169.844 192.524 211.316 1.00 0.00 0.174 C +ATOM 4998 N ILE A 539 168.548 193.055 210.894 1.00 0.00 -0.343 N +ATOM 4999 CB ILE A 539 169.827 190.986 211.509 1.00 0.00 0.018 C +ATOM 5000 CG2 ILE A 539 168.689 190.576 212.437 1.00 0.00 0.010 C +ATOM 5001 CG1 ILE A 539 169.736 190.234 210.172 1.00 0.00 0.002 C +ATOM 5002 CD1 ILE A 539 170.258 188.826 210.253 1.00 0.00 0.004 C +ATOM 5003 H ILE A 539 167.980 192.461 210.642 1.00 0.00 0.164 HD +ATOM 5004 C CYS A 540 171.925 195.190 208.266 1.00 0.00 0.243 C +ATOM 5005 O CYS A 540 172.855 195.655 207.607 1.00 0.00 -0.272 OA +ATOM 5006 CA CYS A 540 171.525 193.725 208.109 1.00 0.00 0.181 C +ATOM 5007 N CYS A 540 170.566 193.319 209.129 1.00 0.00 -0.342 N +ATOM 5008 CB CYS A 540 170.951 193.493 206.709 1.00 0.00 0.101 C +ATOM 5009 SG CYS A 540 170.522 191.778 206.346 1.00 0.00 -0.177 SA +ATOM 5010 HG CYS A 540 171.508 191.101 206.439 1.00 0.00 0.102 HD +ATOM 5011 H CYS A 540 169.744 193.390 208.884 1.00 0.00 0.164 HD +ATOM 5012 C SER A 541 172.813 197.433 210.212 1.00 0.00 0.244 C +ATOM 5013 O SER A 541 173.101 196.550 211.015 1.00 0.00 -0.272 OA +ATOM 5014 CA SER A 541 171.537 197.323 209.371 1.00 0.00 0.197 C +ATOM 5015 N SER A 541 171.223 195.917 209.131 1.00 0.00 -0.342 N +ATOM 5016 CB SER A 541 170.368 198.030 210.066 1.00 0.00 0.191 C +ATOM 5017 OG SER A 541 170.212 197.591 211.405 1.00 0.00 -0.392 OA +ATOM 5018 HG SER A 541 170.064 196.765 211.421 1.00 0.00 0.210 HD +ATOM 5019 H SER A 541 170.560 195.620 209.591 1.00 0.00 0.164 HD +ATOM 5020 C PRO A 542 174.829 198.586 212.226 1.00 0.00 0.243 C +ATOM 5021 O PRO A 542 175.780 198.100 212.838 1.00 0.00 -0.271 OA +ATOM 5022 CA PRO A 542 174.887 198.643 210.695 1.00 0.00 0.175 C +ATOM 5023 N PRO A 542 173.584 198.518 210.027 1.00 0.00 -0.329 N +ATOM 5024 CB PRO A 542 175.397 200.013 210.224 1.00 0.00 0.037 C +ATOM 5025 CG PRO A 542 174.230 200.704 209.614 1.00 0.00 0.024 C +ATOM 5026 CD PRO A 542 173.326 199.641 209.111 1.00 0.00 0.121 C +ATOM 5027 C ALA A 543 173.533 197.559 214.793 1.00 0.00 0.243 C +ATOM 5028 O ALA A 543 173.963 197.257 215.906 1.00 0.00 -0.272 OA +ATOM 5029 CA ALA A 543 173.617 199.002 214.290 1.00 0.00 0.168 C +ATOM 5030 N ALA A 543 173.747 199.061 212.835 1.00 0.00 -0.344 N +ATOM 5031 CB ALA A 543 172.396 199.781 214.741 1.00 0.00 0.041 C +ATOM 5032 H ALA A 543 173.077 199.419 212.432 1.00 0.00 0.164 HD +ATOM 5033 C TYR A 544 173.880 194.337 213.921 1.00 0.00 0.243 C +ATOM 5034 O TYR A 544 174.222 193.406 214.646 1.00 0.00 -0.272 OA +ATOM 5035 CA TYR A 544 172.762 195.284 214.354 1.00 0.00 0.175 C +ATOM 5036 N TYR A 544 172.982 196.675 213.966 1.00 0.00 -0.343 N +ATOM 5037 CB TYR A 544 171.442 194.785 213.772 1.00 0.00 0.070 C +ATOM 5038 CG TYR A 544 170.225 195.146 214.588 1.00 0.00 -0.045 A +ATOM 5039 CD1 TYR A 544 169.736 196.446 214.607 1.00 0.00 0.007 A +ATOM 5040 CD2 TYR A 544 169.556 194.184 215.332 1.00 0.00 0.007 A +ATOM 5041 CE1 TYR A 544 168.620 196.774 215.348 1.00 0.00 0.046 A +ATOM 5042 CE2 TYR A 544 168.444 194.503 216.073 1.00 0.00 0.046 A +ATOM 5043 CZ TYR A 544 167.978 195.797 216.078 1.00 0.00 0.115 A +ATOM 5044 OH TYR A 544 166.868 196.111 216.816 1.00 0.00 -0.507 OA +ATOM 5045 HH TYR A 544 166.691 196.928 216.734 1.00 0.00 0.294 HD +ATOM 5046 H TYR A 544 172.724 196.858 213.166 1.00 0.00 0.164 HD +ATOM 5047 C TRP A 545 176.721 193.678 212.902 1.00 0.00 0.242 C +ATOM 5048 O TRP A 545 177.714 194.195 212.393 1.00 0.00 -0.272 OA +ATOM 5049 CA TRP A 545 175.385 193.611 212.161 1.00 0.00 0.175 C +ATOM 5050 N TRP A 545 174.439 194.560 212.736 1.00 0.00 -0.343 N +ATOM 5051 CB TRP A 545 175.563 193.873 210.667 1.00 0.00 0.072 C +ATOM 5052 CG TRP A 545 176.274 192.773 209.934 1.00 0.00 -0.020 A +ATOM 5053 CD1 TRP A 545 177.479 192.858 209.300 1.00 0.00 0.087 A +ATOM 5054 CD2 TRP A 545 175.825 191.422 209.760 1.00 0.00 0.003 A +ATOM 5055 NE1 TRP A 545 177.806 191.649 208.739 1.00 0.00 -0.359 N +ATOM 5056 CE2 TRP A 545 176.809 190.750 209.008 1.00 0.00 0.046 A +ATOM 5057 CE3 TRP A 545 174.689 190.716 210.165 1.00 0.00 0.010 A +ATOM 5058 HE1 TRP A 545 178.522 191.482 208.293 1.00 0.00 0.166 HD +ATOM 5059 CZ2 TRP A 545 176.693 189.411 208.653 1.00 0.00 0.026 A +ATOM 5060 CZ3 TRP A 545 174.575 189.385 209.812 1.00 0.00 0.001 A +ATOM 5061 CH2 TRP A 545 175.572 188.746 209.063 1.00 0.00 0.002 A +ATOM 5062 H TRP A 545 174.288 195.251 212.246 1.00 0.00 0.164 HD +ATOM 5063 C LYS A 546 177.899 191.804 215.724 1.00 0.00 0.242 C +ATOM 5064 O LYS A 546 176.867 191.175 215.943 1.00 0.00 -0.273 OA +ATOM 5065 CA LYS A 546 177.815 193.169 215.055 1.00 0.00 0.171 C +ATOM 5066 N LYS A 546 176.706 193.132 214.114 1.00 0.00 -0.344 N +ATOM 5067 CB LYS A 546 177.599 194.242 216.125 1.00 0.00 0.035 C +ATOM 5068 CG LYS A 546 177.813 195.682 215.709 1.00 0.00 0.008 C +ATOM 5069 CD LYS A 546 177.249 196.597 216.790 1.00 0.00 0.061 C +ATOM 5070 CE LYS A 546 177.925 197.957 216.839 1.00 0.00 0.258 C +ATOM 5071 NZ LYS A 546 177.466 198.870 215.768 1.00 0.00 -0.357 N +ATOM 5072 HZ1 LYS A 546 177.886 199.652 215.835 1.00 0.00 0.345 HD +ATOM 5073 HZ2 LYS A 546 177.640 198.515 214.971 1.00 0.00 0.345 HD +ATOM 5074 HZ3 LYS A 546 176.589 199.006 215.840 1.00 0.00 0.345 HD +ATOM 5075 H LYS A 546 176.023 192.713 214.427 1.00 0.00 0.164 HD +ATOM 5076 C PRO A 547 178.420 190.084 218.124 1.00 0.00 0.243 C +ATOM 5077 O PRO A 547 177.826 189.077 218.506 1.00 0.00 -0.271 OA +ATOM 5078 CA PRO A 547 179.155 190.054 216.781 1.00 0.00 0.175 C +ATOM 5079 N PRO A 547 179.111 191.336 216.066 1.00 0.00 -0.329 N +ATOM 5080 CB PRO A 547 180.660 189.804 216.981 1.00 0.00 0.037 C +ATOM 5081 CG PRO A 547 181.348 191.078 216.615 1.00 0.00 0.024 C +ATOM 5082 CD PRO A 547 180.450 191.796 215.667 1.00 0.00 0.121 C +ATOM 5083 C SER A 548 176.265 191.090 220.004 1.00 0.00 0.244 C +ATOM 5084 O SER A 548 175.637 190.645 220.965 1.00 0.00 -0.272 OA +ATOM 5085 CA SER A 548 177.768 191.344 220.107 1.00 0.00 0.197 C +ATOM 5086 N SER A 548 178.447 191.217 218.818 1.00 0.00 -0.342 N +ATOM 5087 CB SER A 548 178.009 192.731 220.702 1.00 0.00 0.191 C +ATOM 5088 OG SER A 548 177.644 193.747 219.788 1.00 0.00 -0.392 OA +ATOM 5089 HG SER A 548 178.099 193.678 219.085 1.00 0.00 0.210 HD +ATOM 5090 H SER A 548 178.852 191.932 218.564 1.00 0.00 0.164 HD +ATOM 5091 C THR A 549 173.923 189.684 218.670 1.00 0.00 0.245 C +ATOM 5092 O THR A 549 172.829 189.304 219.086 1.00 0.00 -0.273 OA +ATOM 5093 CA THR A 549 174.267 191.169 218.615 1.00 0.00 0.199 C +ATOM 5094 N THR A 549 175.693 191.379 218.841 1.00 0.00 -0.341 N +ATOM 5095 CB THR A 549 173.825 191.751 217.254 1.00 0.00 0.143 C +ATOM 5096 CG2 THR A 549 172.376 191.394 216.933 1.00 0.00 0.041 C +ATOM 5097 OG1 THR A 549 173.956 193.177 217.279 1.00 0.00 -0.389 OA +ATOM 5098 HG1 THR A 549 173.717 193.501 216.541 1.00 0.00 0.211 HD +ATOM 5099 H THR A 549 176.112 191.700 218.162 1.00 0.00 0.164 HD +ATOM 5100 C PHE A 550 175.419 186.625 219.193 1.00 0.00 0.243 C +ATOM 5101 O PHE A 550 175.700 185.445 219.007 1.00 0.00 -0.272 OA +ATOM 5102 CA PHE A 550 174.639 187.416 218.143 1.00 0.00 0.175 C +ATOM 5103 N PHE A 550 174.871 188.850 218.258 1.00 0.00 -0.343 N +ATOM 5104 CB PHE A 550 175.002 186.949 216.734 1.00 0.00 0.070 C +ATOM 5105 CG PHE A 550 174.390 187.790 215.649 1.00 0.00 -0.045 A +ATOM 5106 CD1 PHE A 550 173.066 187.613 215.281 1.00 0.00 0.004 A +ATOM 5107 CD2 PHE A 550 175.133 188.763 215.006 1.00 0.00 0.004 A +ATOM 5108 CE1 PHE A 550 172.500 188.388 214.288 1.00 0.00 0.000 A +ATOM 5109 CE2 PHE A 550 174.573 189.539 214.014 1.00 0.00 0.000 A +ATOM 5110 CZ PHE A 550 173.257 189.354 213.653 1.00 0.00 0.000 A +ATOM 5111 H PHE A 550 175.665 189.093 218.036 1.00 0.00 0.164 HD +ATOM 5112 C GLY A 551 177.886 186.502 221.380 1.00 0.00 0.239 C +ATOM 5113 O GLY A 551 178.488 185.883 222.254 1.00 0.00 -0.273 OA +ATOM 5114 CA GLY A 551 176.372 186.616 221.431 1.00 0.00 0.216 C +ATOM 5115 N GLY A 551 175.767 187.285 220.293 1.00 0.00 -0.346 N +ATOM 5116 H GLY A 551 175.659 188.131 220.404 1.00 0.00 0.164 HD +ATOM 5117 C GLY A 552 180.340 186.489 218.843 1.00 0.00 0.239 C +ATOM 5118 O GLY A 552 179.499 186.289 217.971 1.00 0.00 -0.273 OA +ATOM 5119 CA GLY A 552 179.942 187.050 220.194 1.00 0.00 0.216 C +ATOM 5120 N GLY A 552 178.499 187.101 220.364 1.00 0.00 -0.346 N +ATOM 5121 H GLY A 552 178.093 187.549 219.753 1.00 0.00 0.164 HD +ATOM 5122 C GLU A 553 181.686 184.368 217.023 1.00 0.00 0.242 C +ATOM 5123 O GLU A 553 181.524 184.063 215.845 1.00 0.00 -0.273 OA +ATOM 5124 CA GLU A 553 182.160 185.771 217.397 1.00 0.00 0.171 C +ATOM 5125 N GLU A 553 181.629 186.222 218.677 1.00 0.00 -0.344 N +ATOM 5126 CB GLU A 553 183.688 185.806 217.420 1.00 0.00 0.041 C +ATOM 5127 CG GLU A 553 184.269 187.202 217.581 1.00 0.00 0.055 C +ATOM 5128 CD GLU A 553 184.069 188.079 216.357 1.00 0.00 0.041 C +ATOM 5129 OE1 GLU A 553 183.602 187.571 215.314 1.00 0.00 -0.548 OA +ATOM 5130 OE2 GLU A 553 184.387 189.284 216.439 1.00 0.00 -0.549 OA +ATOM 5131 H GLU A 553 182.223 186.295 219.295 1.00 0.00 0.164 HD +ATOM 5132 C VAL A 554 179.629 182.171 217.167 1.00 0.00 0.243 C +ATOM 5133 O VAL A 554 179.386 181.554 216.132 1.00 0.00 -0.272 OA +ATOM 5134 CA VAL A 554 181.026 182.154 217.766 1.00 0.00 0.173 C +ATOM 5135 N VAL A 554 181.472 183.517 218.021 1.00 0.00 -0.343 N +ATOM 5136 CB VAL A 554 181.041 181.299 219.052 1.00 0.00 0.015 C +ATOM 5137 CG1 VAL A 554 180.417 179.921 218.808 1.00 0.00 0.010 C +ATOM 5138 CG2 VAL A 554 182.463 181.145 219.560 1.00 0.00 0.010 C +ATOM 5139 H VAL A 554 181.578 183.705 218.853 1.00 0.00 0.164 HD +ATOM 5140 C GLY A 555 177.362 183.676 215.949 1.00 0.00 0.239 C +ATOM 5141 O GLY A 555 176.619 183.276 215.053 1.00 0.00 -0.273 OA +ATOM 5142 CA GLY A 555 177.364 183.022 217.314 1.00 0.00 0.216 C +ATOM 5143 N GLY A 555 178.714 182.879 217.820 1.00 0.00 -0.346 N +ATOM 5144 H GLY A 555 178.856 183.288 218.563 1.00 0.00 0.164 HD +ATOM 5145 C PHE A 556 178.782 184.501 213.424 1.00 0.00 0.243 C +ATOM 5146 O PHE A 556 178.341 184.620 212.279 1.00 0.00 -0.272 OA +ATOM 5147 CA PHE A 556 178.315 185.427 214.544 1.00 0.00 0.175 C +ATOM 5148 N PHE A 556 178.206 184.690 215.796 1.00 0.00 -0.343 N +ATOM 5149 CB PHE A 556 179.288 186.603 214.717 1.00 0.00 0.070 C +ATOM 5150 CG PHE A 556 179.126 187.710 213.704 1.00 0.00 -0.045 A +ATOM 5151 CD1 PHE A 556 177.884 188.051 213.203 1.00 0.00 0.004 A +ATOM 5152 CD2 PHE A 556 180.234 188.419 213.266 1.00 0.00 0.004 A +ATOM 5153 CE1 PHE A 556 177.748 189.069 212.282 1.00 0.00 0.000 A +ATOM 5154 CE2 PHE A 556 180.104 189.439 212.346 1.00 0.00 0.000 A +ATOM 5155 CZ PHE A 556 178.857 189.767 211.854 1.00 0.00 0.000 A +ATOM 5156 H PHE A 556 178.734 184.974 216.412 1.00 0.00 0.164 HD +ATOM 5157 C GLN A 557 179.247 181.644 212.280 1.00 0.00 0.242 C +ATOM 5158 O GLN A 557 179.337 181.173 211.147 1.00 0.00 -0.273 OA +ATOM 5159 CA GLN A 557 180.255 182.676 212.772 1.00 0.00 0.171 C +ATOM 5160 N GLN A 557 179.675 183.575 213.763 1.00 0.00 -0.343 N +ATOM 5161 CB GLN A 557 181.480 181.959 213.346 1.00 0.00 0.045 C +ATOM 5162 CG GLN A 557 182.794 182.314 212.665 1.00 0.00 0.102 C +ATOM 5163 CD GLN A 557 183.571 181.090 212.228 1.00 0.00 0.217 C +ATOM 5164 OE1 GLN A 557 183.705 180.121 212.977 1.00 0.00 -0.275 OA +ATOM 5165 NE2 GLN A 557 184.082 181.124 211.004 1.00 0.00 -0.368 N +ATOM 5166 HE22 GLN A 557 183.963 181.816 210.508 1.00 0.00 0.159 HD +ATOM 5167 HE21 GLN A 557 184.532 180.454 210.707 1.00 0.00 0.159 HD +ATOM 5168 H GLN A 557 179.962 183.448 214.564 1.00 0.00 0.164 HD +ATOM 5169 C ILE A 558 176.491 180.909 211.556 1.00 0.00 0.243 C +ATOM 5170 O ILE A 558 176.189 180.181 210.615 1.00 0.00 -0.272 OA +ATOM 5171 CA ILE A 558 177.241 180.359 212.763 1.00 0.00 0.174 C +ATOM 5172 N ILE A 558 178.296 181.290 213.139 1.00 0.00 -0.343 N +ATOM 5173 CB ILE A 558 176.260 180.107 213.930 1.00 0.00 0.018 C +ATOM 5174 CG2 ILE A 558 175.048 179.307 213.457 1.00 0.00 0.010 C +ATOM 5175 CG1 ILE A 558 176.975 179.364 215.063 1.00 0.00 0.002 C +ATOM 5176 CD1 ILE A 558 176.146 179.183 216.317 1.00 0.00 0.004 C +ATOM 5177 H ILE A 558 178.240 181.576 213.948 1.00 0.00 0.164 HD +ATOM 5178 C ILE A 559 176.393 182.807 209.226 1.00 0.00 0.243 C +ATOM 5179 O ILE A 559 175.954 182.358 208.168 1.00 0.00 -0.272 OA +ATOM 5180 CA ILE A 559 175.530 182.860 210.480 1.00 0.00 0.174 C +ATOM 5181 N ILE A 559 176.205 182.204 211.588 1.00 0.00 -0.343 N +ATOM 5182 CB ILE A 559 175.200 184.331 210.818 1.00 0.00 0.018 C +ATOM 5183 CG2 ILE A 559 174.726 185.086 209.571 1.00 0.00 0.010 C +ATOM 5184 CG1 ILE A 559 174.133 184.390 211.916 1.00 0.00 0.002 C +ATOM 5185 CD1 ILE A 559 173.876 185.786 212.462 1.00 0.00 0.004 C +ATOM 5186 H ILE A 559 176.392 182.727 212.245 1.00 0.00 0.164 HD +ATOM 5187 C ASN A 560 179.083 182.198 207.610 1.00 0.00 0.242 C +ATOM 5188 O ASN A 560 179.734 182.252 206.574 1.00 0.00 -0.273 OA +ATOM 5189 CA ASN A 560 178.472 183.476 208.191 1.00 0.00 0.180 C +ATOM 5190 N ASN A 560 177.630 183.261 209.354 1.00 0.00 -0.342 N +ATOM 5191 CB ASN A 560 179.572 184.475 208.544 1.00 0.00 0.134 C +ATOM 5192 CG ASN A 560 179.026 185.875 208.777 1.00 0.00 0.220 C +ATOM 5193 OD1 ASN A 560 179.221 186.467 209.838 1.00 0.00 -0.275 OA +ATOM 5194 ND2 ASN A 560 178.324 186.403 207.783 1.00 0.00 -0.368 N +ATOM 5195 HD22 ASN A 560 177.992 187.193 207.863 1.00 0.00 0.159 HD +ATOM 5196 HD21 ASN A 560 178.201 185.957 207.058 1.00 0.00 0.159 HD +ATOM 5197 H ASN A 560 178.006 183.453 210.104 1.00 0.00 0.164 HD +ATOM 5198 C THR A 561 178.114 178.832 207.443 1.00 0.00 0.245 C +ATOM 5199 O THR A 561 178.306 177.642 207.194 1.00 0.00 -0.273 OA +ATOM 5200 CA THR A 561 179.291 179.761 207.733 1.00 0.00 0.199 C +ATOM 5201 N THR A 561 178.858 181.057 208.262 1.00 0.00 -0.341 N +ATOM 5202 CB THR A 561 180.246 179.031 208.704 1.00 0.00 0.143 C +ATOM 5203 CG2 THR A 561 181.510 179.839 208.930 1.00 0.00 0.041 C +ATOM 5204 OG1 THR A 561 179.586 178.809 209.958 1.00 0.00 -0.389 OA +ATOM 5205 HG1 THR A 561 179.359 179.543 210.297 1.00 0.00 0.211 HD +ATOM 5206 H THR A 561 178.453 181.006 209.019 1.00 0.00 0.164 HD +ATOM 5207 C ALA A 562 175.487 178.157 205.833 1.00 0.00 0.243 C +ATOM 5208 O ALA A 562 175.778 178.921 204.914 1.00 0.00 -0.272 OA +ATOM 5209 CA ALA A 562 175.702 178.554 207.290 1.00 0.00 0.168 C +ATOM 5210 N ALA A 562 176.899 179.370 207.473 1.00 0.00 -0.344 N +ATOM 5211 CB ALA A 562 174.478 179.290 207.811 1.00 0.00 0.041 C +ATOM 5212 H ALA A 562 176.739 180.206 207.597 1.00 0.00 0.164 HD +ATOM 5213 C SER A 563 173.484 175.429 204.472 1.00 0.00 0.244 C +ATOM 5214 O SER A 563 173.270 174.903 205.564 1.00 0.00 -0.272 OA +ATOM 5215 CA SER A 563 174.596 176.456 204.321 1.00 0.00 0.197 C +ATOM 5216 N SER A 563 174.968 176.949 205.641 1.00 0.00 -0.342 N +ATOM 5217 CB SER A 563 175.799 175.840 203.611 1.00 0.00 0.191 C +ATOM 5218 OG SER A 563 176.276 174.706 204.313 1.00 0.00 -0.392 OA +ATOM 5219 HG SER A 563 176.937 174.377 203.913 1.00 0.00 0.210 HD +ATOM 5220 H SER A 563 174.819 176.386 206.273 1.00 0.00 0.164 HD +ATOM 5221 C ILE A 564 172.336 172.786 203.830 1.00 0.00 0.243 C +ATOM 5222 O ILE A 564 171.690 171.998 204.515 1.00 0.00 -0.272 OA +ATOM 5223 CA ILE A 564 171.735 174.127 203.412 1.00 0.00 0.174 C +ATOM 5224 N ILE A 564 172.774 175.147 203.386 1.00 0.00 -0.343 N +ATOM 5225 CB ILE A 564 171.026 173.988 202.037 1.00 0.00 0.018 C +ATOM 5226 CG2 ILE A 564 172.012 173.568 200.947 1.00 0.00 0.010 C +ATOM 5227 CG1 ILE A 564 169.856 173.000 202.117 1.00 0.00 0.002 C +ATOM 5228 CD1 ILE A 564 168.679 173.501 202.925 1.00 0.00 0.004 C +ATOM 5229 H ILE A 564 172.875 175.530 202.623 1.00 0.00 0.164 HD +ATOM 5230 C GLN A 565 174.596 171.218 205.257 1.00 0.00 0.242 C +ATOM 5231 O GLN A 565 174.385 170.187 205.890 1.00 0.00 -0.273 OA +ATOM 5232 CA GLN A 565 174.260 171.293 203.770 1.00 0.00 0.171 C +ATOM 5233 N GLN A 565 173.582 172.543 203.435 1.00 0.00 -0.343 N +ATOM 5234 CB GLN A 565 175.535 171.130 202.934 1.00 0.00 0.045 C +ATOM 5235 CG GLN A 565 176.330 169.861 203.230 1.00 0.00 0.102 C +ATOM 5236 CD GLN A 565 175.541 168.587 202.963 1.00 0.00 0.217 C +ATOM 5237 OE1 GLN A 565 175.626 168.008 201.881 1.00 0.00 -0.275 OA +ATOM 5238 NE2 GLN A 565 174.773 168.142 203.954 1.00 0.00 -0.368 N +ATOM 5239 HE22 GLN A 565 174.740 168.571 204.699 1.00 0.00 0.159 HD +ATOM 5240 HE21 GLN A 565 174.308 167.426 203.849 1.00 0.00 0.159 HD +ATOM 5241 H GLN A 565 174.059 173.086 202.969 1.00 0.00 0.164 HD +ATOM 5242 C SER A 566 174.263 172.303 208.136 1.00 0.00 0.244 C +ATOM 5243 O SER A 566 174.321 171.777 209.246 1.00 0.00 -0.272 OA +ATOM 5244 CA SER A 566 175.492 172.326 207.227 1.00 0.00 0.197 C +ATOM 5245 N SER A 566 175.119 172.305 205.814 1.00 0.00 -0.342 N +ATOM 5246 CB SER A 566 176.348 173.552 207.543 1.00 0.00 0.191 C +ATOM 5247 OG SER A 566 175.569 174.734 207.545 1.00 0.00 -0.392 OA +ATOM 5248 HG SER A 566 176.054 175.397 207.720 1.00 0.00 0.210 HD +ATOM 5249 H SER A 566 175.269 173.043 205.398 1.00 0.00 0.164 HD +ATOM 5250 C LEU A 567 171.467 171.366 208.561 1.00 0.00 0.243 C +ATOM 5251 O LEU A 567 171.140 170.913 209.656 1.00 0.00 -0.272 OA +ATOM 5252 CA LEU A 567 171.903 172.816 208.414 1.00 0.00 0.172 C +ATOM 5253 N LEU A 567 173.157 172.875 207.670 1.00 0.00 -0.345 N +ATOM 5254 CB LEU A 567 170.808 173.626 207.718 1.00 0.00 0.038 C +ATOM 5255 CG LEU A 567 169.459 173.679 208.447 1.00 0.00 -0.015 C +ATOM 5256 CD1 LEU A 567 169.542 174.589 209.657 1.00 0.00 0.007 C +ATOM 5257 CD2 LEU A 567 168.337 174.122 207.516 1.00 0.00 0.007 C +ATOM 5258 H LEU A 567 173.107 173.303 206.926 1.00 0.00 0.165 HD +ATOM 5259 C ILE A 568 172.149 168.431 208.223 1.00 0.00 0.243 C +ATOM 5260 O ILE A 568 171.798 167.590 209.046 1.00 0.00 -0.272 OA +ATOM 5261 CA ILE A 568 171.113 169.233 207.441 1.00 0.00 0.174 C +ATOM 5262 N ILE A 568 171.467 170.645 207.446 1.00 0.00 -0.343 N +ATOM 5263 CB ILE A 568 170.983 168.699 205.991 1.00 0.00 0.018 C +ATOM 5264 CG2 ILE A 568 171.399 167.228 205.881 1.00 0.00 0.010 C +ATOM 5265 CG1 ILE A 568 169.538 168.836 205.507 1.00 0.00 0.002 C +ATOM 5266 CD1 ILE A 568 168.994 170.248 205.550 1.00 0.00 0.004 C +ATOM 5267 H ILE A 568 171.671 170.956 206.670 1.00 0.00 0.164 HD +ATOM 5268 CB CYS A 569 175.858 168.450 208.074 1.00 0.00 0.116 C +ATOM 5269 SG CYS A 569 177.265 167.452 208.613 1.00 0.00 -0.092 SA +ATOM 5270 CA CYS A 569 174.508 167.965 208.604 1.00 0.00 0.183 C +ATOM 5271 C CYS A 569 174.487 168.075 210.127 1.00 0.00 0.244 C +ATOM 5272 N CYS A 569 173.423 168.711 207.974 1.00 0.00 -0.343 N +ATOM 5273 O CYS A 569 174.811 167.118 210.826 1.00 0.00 -0.272 OA +ATOM 5274 H CYS A 569 173.688 169.331 207.440 1.00 0.00 0.164 HD +ATOM 5275 C ASN A 570 172.899 168.891 212.811 1.00 0.00 0.242 C +ATOM 5276 O ASN A 570 172.991 168.572 213.994 1.00 0.00 -0.273 OA +ATOM 5277 CA ASN A 570 174.105 169.475 212.080 1.00 0.00 0.180 C +ATOM 5278 N ASN A 570 174.100 169.238 210.639 1.00 0.00 -0.342 N +ATOM 5279 CB ASN A 570 174.172 170.976 212.369 1.00 0.00 0.134 C +ATOM 5280 CG ASN A 570 175.572 171.542 212.225 1.00 0.00 0.220 C +ATOM 5281 OD1 ASN A 570 176.563 170.821 212.327 1.00 0.00 -0.275 OA +ATOM 5282 ND2 ASN A 570 175.658 172.848 211.998 1.00 0.00 -0.368 N +ATOM 5283 HD22 ASN A 570 176.428 173.220 211.909 1.00 0.00 0.159 HD +ATOM 5284 HD21 ASN A 570 174.943 173.323 211.941 1.00 0.00 0.159 HD +ATOM 5285 H ASN A 570 173.831 169.908 210.173 1.00 0.00 0.164 HD +ATOM 5286 C ASN A 571 169.851 167.132 212.250 1.00 0.00 0.242 C +ATOM 5287 O ASN A 571 168.791 166.743 212.741 1.00 0.00 -0.273 OA +ATOM 5288 CA ASN A 571 170.510 168.411 212.761 1.00 0.00 0.180 C +ATOM 5289 N ASN A 571 171.776 168.750 212.113 1.00 0.00 -0.342 N +ATOM 5290 CB ASN A 571 169.530 169.572 212.605 1.00 0.00 0.134 C +ATOM 5291 CG ASN A 571 170.048 170.853 213.226 1.00 0.00 0.220 C +ATOM 5292 OD1 ASN A 571 170.128 170.977 214.448 1.00 0.00 -0.275 OA +ATOM 5293 ND2 ASN A 571 170.404 171.815 212.386 1.00 0.00 -0.368 N +ATOM 5294 HD22 ASN A 571 170.705 172.562 212.689 1.00 0.00 0.159 HD +ATOM 5295 HD21 ASN A 571 170.335 171.693 211.538 1.00 0.00 0.159 HD +ATOM 5296 H ASN A 571 171.719 168.846 211.260 1.00 0.00 0.164 HD +ATOM 5297 C VAL A 572 170.921 164.088 210.974 1.00 0.00 0.243 C +ATOM 5298 O VAL A 572 172.116 164.195 210.704 1.00 0.00 -0.272 OA +ATOM 5299 CA VAL A 572 169.950 165.237 210.717 1.00 0.00 0.173 C +ATOM 5300 N VAL A 572 170.477 166.480 211.275 1.00 0.00 -0.343 N +ATOM 5301 CB VAL A 572 169.682 165.367 209.206 1.00 0.00 0.015 C +ATOM 5302 CG1 VAL A 572 169.123 164.068 208.642 1.00 0.00 0.010 C +ATOM 5303 CG2 VAL A 572 168.718 166.519 208.945 1.00 0.00 0.010 C +ATOM 5304 H VAL A 572 171.215 166.738 210.917 1.00 0.00 0.164 HD +ATOM 5305 C LYS A 573 171.875 161.240 210.630 1.00 0.00 0.242 C +ATOM 5306 O LYS A 573 171.251 161.059 209.585 1.00 0.00 -0.273 OA +ATOM 5307 CA LYS A 573 171.184 161.825 211.855 1.00 0.00 0.171 C +ATOM 5308 N LYS A 573 170.387 162.993 211.503 1.00 0.00 -0.344 N +ATOM 5309 CB LYS A 573 170.299 160.766 212.514 1.00 0.00 0.035 C +ATOM 5310 CG LYS A 573 171.060 159.650 213.201 1.00 0.00 0.008 C +ATOM 5311 CD LYS A 573 170.110 158.570 213.689 1.00 0.00 0.061 C +ATOM 5312 CE LYS A 573 170.824 157.534 214.536 1.00 0.00 0.258 C +ATOM 5313 NZ LYS A 573 169.926 156.401 214.883 1.00 0.00 -0.357 N +ATOM 5314 HZ1 LYS A 573 170.365 155.806 215.379 1.00 0.00 0.345 HD +ATOM 5315 HZ2 LYS A 573 169.224 156.699 215.341 1.00 0.00 0.345 HD +ATOM 5316 HZ3 LYS A 573 169.639 156.003 214.140 1.00 0.00 0.345 HD +ATOM 5317 H LYS A 573 169.548 162.901 211.671 1.00 0.00 0.164 HD +ATOM 5318 C GLY A 574 174.587 161.426 208.791 1.00 0.00 0.239 C +ATOM 5319 O GLY A 574 175.459 161.105 207.982 1.00 0.00 -0.273 OA +ATOM 5320 CA GLY A 574 173.945 160.378 209.682 1.00 0.00 0.216 C +ATOM 5321 N GLY A 574 173.167 160.952 210.765 1.00 0.00 -0.346 N +ATOM 5322 H GLY A 574 173.618 161.083 211.486 1.00 0.00 0.164 HD +ATOM 5323 CB CYS A 575 176.124 164.103 208.585 1.00 0.00 0.116 C +ATOM 5324 SG CYS A 575 176.821 165.615 207.858 1.00 0.00 -0.092 SA +ATOM 5325 CA CYS A 575 174.689 163.786 208.153 1.00 0.00 0.183 C +ATOM 5326 C CYS A 575 174.644 163.475 206.660 1.00 0.00 0.244 C +ATOM 5327 N CYS A 575 174.155 162.676 208.940 1.00 0.00 -0.343 N +ATOM 5328 O CYS A 575 175.682 163.426 206.002 1.00 0.00 -0.272 OA +ATOM 5329 H CYS A 575 173.543 162.910 209.498 1.00 0.00 0.164 HD +ATOM 5330 C PRO A 576 173.659 164.012 203.764 1.00 0.00 0.243 C +ATOM 5331 O PRO A 576 173.459 165.176 204.108 1.00 0.00 -0.271 OA +ATOM 5332 CA PRO A 576 173.323 162.870 204.713 1.00 0.00 0.175 C +ATOM 5333 N PRO A 576 173.437 163.262 206.120 1.00 0.00 -0.329 N +ATOM 5334 CB PRO A 576 171.854 162.466 204.585 1.00 0.00 0.037 C +ATOM 5335 CG PRO A 576 171.156 163.289 205.599 1.00 0.00 0.024 C +ATOM 5336 CD PRO A 576 172.118 163.448 206.748 1.00 0.00 0.121 C +ATOM 5337 C PHE A 577 173.081 165.289 201.141 1.00 0.00 0.243 C +ATOM 5338 O PHE A 577 172.094 164.577 200.968 1.00 0.00 -0.272 OA +ATOM 5339 CA PHE A 577 174.408 164.678 201.557 1.00 0.00 0.175 C +ATOM 5340 N PHE A 577 174.174 163.679 202.587 1.00 0.00 -0.343 N +ATOM 5341 CB PHE A 577 175.108 164.062 200.344 1.00 0.00 0.070 C +ATOM 5342 CG PHE A 577 175.086 164.939 199.121 1.00 0.00 -0.045 A +ATOM 5343 CD1 PHE A 577 174.041 164.863 198.212 1.00 0.00 0.004 A +ATOM 5344 CD2 PHE A 577 176.109 165.840 198.880 1.00 0.00 0.004 A +ATOM 5345 CE1 PHE A 577 174.016 165.669 197.093 1.00 0.00 0.000 A +ATOM 5346 CE2 PHE A 577 176.091 166.648 197.760 1.00 0.00 0.000 A +ATOM 5347 CZ PHE A 577 175.043 166.562 196.865 1.00 0.00 0.000 A +ATOM 5348 H PHE A 577 174.397 162.880 202.360 1.00 0.00 0.164 HD +ATOM 5349 C THR A 578 172.289 168.464 199.579 1.00 0.00 0.245 C +ATOM 5350 O THR A 578 173.392 168.996 199.701 1.00 0.00 -0.273 OA +ATOM 5351 CA THR A 578 171.887 167.269 200.426 1.00 0.00 0.199 C +ATOM 5352 N THR A 578 173.053 166.609 200.991 1.00 0.00 -0.341 N +ATOM 5353 CB THR A 578 170.894 167.727 201.519 1.00 0.00 0.143 C +ATOM 5354 CG2 THR A 578 171.339 169.035 202.185 1.00 0.00 0.041 C +ATOM 5355 OG1 THR A 578 169.596 167.898 200.938 1.00 0.00 -0.389 OA +ATOM 5356 HG1 THR A 578 169.331 167.172 200.609 1.00 0.00 0.211 HD +ATOM 5357 H THR A 578 173.694 167.141 201.207 1.00 0.00 0.164 HD +ATOM 5358 C SER A 579 170.216 170.341 197.224 1.00 0.00 0.244 C +ATOM 5359 O SER A 579 169.234 169.634 197.450 1.00 0.00 -0.272 OA +ATOM 5360 CA SER A 579 171.576 169.957 197.786 1.00 0.00 0.197 C +ATOM 5361 N SER A 579 171.365 168.871 198.721 1.00 0.00 -0.342 N +ATOM 5362 CB SER A 579 172.543 169.538 196.676 1.00 0.00 0.191 C +ATOM 5363 OG SER A 579 172.271 170.221 195.466 1.00 0.00 -0.392 OA +ATOM 5364 HG SER A 579 172.812 169.977 194.871 1.00 0.00 0.210 HD +ATOM 5365 H SER A 579 170.582 168.519 198.663 1.00 0.00 0.164 HD +ATOM 5366 C PHE A 580 168.735 171.383 194.491 1.00 0.00 0.243 C +ATOM 5367 O PHE A 580 167.727 171.650 193.841 1.00 0.00 -0.272 OA +ATOM 5368 CA PHE A 580 168.887 171.894 195.916 1.00 0.00 0.175 C +ATOM 5369 N PHE A 580 170.147 171.456 196.506 1.00 0.00 -0.343 N +ATOM 5370 CB PHE A 580 168.780 173.421 195.945 1.00 0.00 0.070 C +ATOM 5371 CG PHE A 580 168.474 173.985 197.305 1.00 0.00 -0.045 A +ATOM 5372 CD1 PHE A 580 167.481 173.430 198.095 1.00 0.00 0.004 A +ATOM 5373 CD2 PHE A 580 169.181 175.067 197.793 1.00 0.00 0.004 A +ATOM 5374 CE1 PHE A 580 167.200 173.948 199.342 1.00 0.00 0.000 A +ATOM 5375 CE2 PHE A 580 168.903 175.587 199.040 1.00 0.00 0.000 A +ATOM 5376 CZ PHE A 580 167.913 175.027 199.816 1.00 0.00 0.000 A +ATOM 5377 H PHE A 580 170.813 171.975 196.346 1.00 0.00 0.164 HD +ATOM 5378 C SER A 581 169.843 168.489 192.878 1.00 0.00 0.244 C +ATOM 5379 O SER A 581 170.466 168.042 193.842 1.00 0.00 -0.272 OA +ATOM 5380 CA SER A 581 169.645 169.989 192.715 1.00 0.00 0.197 C +ATOM 5381 N SER A 581 169.735 170.650 194.012 1.00 0.00 -0.342 N +ATOM 5382 CB SER A 581 170.681 170.555 191.742 1.00 0.00 0.191 C +ATOM 5383 OG SER A 581 171.996 170.228 192.147 1.00 0.00 -0.392 OA +ATOM 5384 HG SER A 581 172.552 170.546 191.603 1.00 0.00 0.210 HD +ATOM 5385 H SER A 581 170.480 170.520 194.421 1.00 0.00 0.164 HD +ATOM 5386 C VAL A 582 170.925 165.910 191.594 1.00 0.00 0.243 C +ATOM 5387 O VAL A 582 171.515 166.578 190.745 1.00 0.00 -0.272 OA +ATOM 5388 CA VAL A 582 169.488 166.266 191.985 1.00 0.00 0.173 C +ATOM 5389 N VAL A 582 169.311 167.712 191.942 1.00 0.00 -0.343 N +ATOM 5390 CB VAL A 582 168.499 165.535 191.054 1.00 0.00 0.015 C +ATOM 5391 CG1 VAL A 582 167.065 165.848 191.452 1.00 0.00 0.010 C +ATOM 5392 CG2 VAL A 582 168.740 165.906 189.593 1.00 0.00 0.010 C +ATOM 5393 H VAL A 582 168.846 167.995 191.276 1.00 0.00 0.164 HD +ATOM 5394 C PRO A 583 173.141 164.249 190.412 1.00 0.00 0.243 C +ATOM 5395 O PRO A 583 172.248 163.840 189.673 1.00 0.00 -0.271 OA +ATOM 5396 CA PRO A 583 172.859 164.401 191.906 1.00 0.00 0.175 C +ATOM 5397 N PRO A 583 171.497 164.860 192.214 1.00 0.00 -0.329 N +ATOM 5398 CB PRO A 583 172.925 163.042 192.600 1.00 0.00 0.037 C +ATOM 5399 CG PRO A 583 172.014 163.184 193.761 1.00 0.00 0.024 C +ATOM 5400 CD PRO A 583 170.898 164.080 193.313 1.00 0.00 0.121 C +ATOM 5401 C ASN B 34 177.890 192.796 235.842 1.00 0.00 0.242 C +ATOM 5402 O ASN B 34 177.773 193.953 236.237 1.00 0.00 -0.273 OA +ATOM 5403 CA ASN B 34 176.805 191.763 236.154 1.00 0.00 0.180 C +ATOM 5404 N ASN B 34 176.784 191.459 237.580 1.00 0.00 -0.342 N +ATOM 5405 CB ASN B 34 175.436 192.273 235.705 1.00 0.00 0.134 C +ATOM 5406 CG ASN B 34 175.307 192.366 234.190 1.00 0.00 0.220 C +ATOM 5407 OD1 ASN B 34 176.295 192.504 233.470 1.00 0.00 -0.275 OA +ATOM 5408 ND2 ASN B 34 174.075 192.293 233.703 1.00 0.00 -0.368 N +ATOM 5409 HD22 ASN B 34 173.945 192.341 232.854 1.00 0.00 0.159 HD +ATOM 5410 HD21 ASN B 34 173.407 192.198 234.236 1.00 0.00 0.159 HD +ATOM 5411 H ASN B 34 177.070 191.655 238.550 1.00 0.00 0.164 HD +ATOM 5412 C PRO B 35 179.822 194.485 234.056 1.00 0.00 0.243 C +ATOM 5413 O PRO B 35 180.607 195.432 234.046 1.00 0.00 -0.271 OA +ATOM 5414 CA PRO B 35 180.104 193.278 234.948 1.00 0.00 0.175 C +ATOM 5415 N PRO B 35 178.948 192.389 235.118 1.00 0.00 -0.329 N +ATOM 5416 CB PRO B 35 181.151 192.362 234.309 1.00 0.00 0.037 C +ATOM 5417 CG PRO B 35 180.362 191.342 233.583 1.00 0.00 0.024 C +ATOM 5418 CD PRO B 35 179.099 191.135 234.358 1.00 0.00 0.121 C +ATOM 5419 CB CYS B 36 177.478 195.062 231.300 1.00 0.00 0.116 C +ATOM 5420 SG CYS B 36 178.408 194.194 230.015 1.00 0.00 -0.092 SA +ATOM 5421 CA CYS B 36 178.345 195.561 232.454 1.00 0.00 0.183 C +ATOM 5422 C CYS B 36 177.615 196.664 233.219 1.00 0.00 0.244 C +ATOM 5423 N CYS B 36 178.717 194.450 233.321 1.00 0.00 -0.343 N +ATOM 5424 O CYS B 36 177.309 197.715 232.658 1.00 0.00 -0.272 OA +ATOM 5425 H CYS B 36 178.163 193.792 233.307 1.00 0.00 0.164 HD +ATOM 5426 CB CYS B 37 176.445 196.839 236.750 1.00 0.00 0.116 C +ATOM 5427 SG CYS B 37 174.953 195.840 236.963 1.00 0.00 -0.092 SA +ATOM 5428 CA CYS B 37 176.639 197.394 235.336 1.00 0.00 0.183 C +ATOM 5429 C CYS B 37 177.354 198.741 235.416 1.00 0.00 0.244 C +ATOM 5430 N CYS B 37 177.350 196.427 234.501 1.00 0.00 -0.343 N +ATOM 5431 O CYS B 37 176.718 199.770 235.637 1.00 0.00 -0.272 OA +ATOM 5432 H CYS B 37 177.574 195.707 234.915 1.00 0.00 0.164 HD +ATOM 5433 C SER B 38 179.513 200.722 234.021 1.00 0.00 0.244 C +ATOM 5434 O SER B 38 180.063 201.820 233.956 1.00 0.00 -0.272 OA +ATOM 5435 CA SER B 38 179.462 199.956 235.343 1.00 0.00 0.197 C +ATOM 5436 N SER B 38 178.671 198.733 235.238 1.00 0.00 -0.342 N +ATOM 5437 CB SER B 38 180.884 199.630 235.804 1.00 0.00 0.191 C +ATOM 5438 OG SER B 38 181.587 198.897 234.818 1.00 0.00 -0.392 OA +ATOM 5439 HG SER B 38 182.364 198.727 235.086 1.00 0.00 0.210 HD +ATOM 5440 H SER B 38 179.133 198.031 235.054 1.00 0.00 0.164 HD +ATOM 5441 C HIS B 39 180.377 200.997 231.180 1.00 0.00 0.242 C +ATOM 5442 O HIS B 39 180.744 202.131 230.882 1.00 0.00 -0.272 OA +ATOM 5443 CA HIS B 39 178.944 200.746 231.647 1.00 0.00 0.177 C +ATOM 5444 N HIS B 39 178.931 200.142 232.976 1.00 0.00 -0.343 N +ATOM 5445 CB HIS B 39 178.144 202.050 231.648 1.00 0.00 0.093 C +ATOM 5446 CG HIS B 39 176.823 201.943 232.344 1.00 0.00 0.061 A +ATOM 5447 ND1 HIS B 39 175.809 201.126 231.894 1.00 0.00 -0.242 NA +ATOM 5448 CD2 HIS B 39 176.355 202.543 233.463 1.00 0.00 0.107 A +ATOM 5449 CE1 HIS B 39 174.771 201.228 232.705 1.00 0.00 0.196 A +ATOM 5450 NE2 HIS B 39 175.077 202.083 233.665 1.00 0.00 -0.350 N +ATOM 5451 HE2 HIS B 39 174.559 202.314 234.311 1.00 0.00 0.167 HD +ATOM 5452 H HIS B 39 178.518 199.389 233.011 1.00 0.00 0.164 HD +ATOM 5453 C PRO B 40 182.877 200.596 229.381 1.00 0.00 0.243 C +ATOM 5454 O PRO B 40 183.813 201.365 229.166 1.00 0.00 -0.271 OA +ATOM 5455 CA PRO B 40 182.614 200.079 230.794 1.00 0.00 0.175 C +ATOM 5456 N PRO B 40 181.188 199.930 231.101 1.00 0.00 -0.329 N +ATOM 5457 CB PRO B 40 183.163 198.651 230.946 1.00 0.00 0.037 C +ATOM 5458 CG PRO B 40 182.045 197.827 231.502 1.00 0.00 0.024 C +ATOM 5459 CD PRO B 40 180.787 198.515 231.146 1.00 0.00 0.121 C +ATOM 5460 CB CYS B 41 181.449 199.524 226.154 1.00 0.00 0.116 C +ATOM 5461 SG CYS B 41 181.697 197.772 226.520 1.00 0.00 -0.092 SA +ATOM 5462 CA CYS B 41 182.288 200.459 227.025 1.00 0.00 0.183 C +ATOM 5463 C CYS B 41 181.984 201.911 226.671 1.00 0.00 0.244 C +ATOM 5464 N CYS B 41 182.051 200.172 228.433 1.00 0.00 -0.343 N +ATOM 5465 O CYS B 41 180.876 202.393 226.892 1.00 0.00 -0.272 OA +ATOM 5466 H CYS B 41 181.339 199.712 228.580 1.00 0.00 0.164 HD +ATOM 5467 C GLN B 42 182.503 204.110 224.231 1.00 0.00 0.242 C +ATOM 5468 O GLN B 42 182.606 203.145 223.476 1.00 0.00 -0.273 OA +ATOM 5469 CA GLN B 42 182.853 203.987 225.709 1.00 0.00 0.171 C +ATOM 5470 N GLN B 42 182.982 202.592 226.115 1.00 0.00 -0.343 N +ATOM 5471 CB GLN B 42 184.155 204.748 225.985 1.00 0.00 0.045 C +ATOM 5472 CG GLN B 42 184.644 204.657 227.415 1.00 0.00 0.102 C +ATOM 5473 CD GLN B 42 183.608 205.126 228.415 1.00 0.00 0.217 C +ATOM 5474 OE1 GLN B 42 183.145 206.265 228.360 1.00 0.00 -0.275 OA +ATOM 5475 NE2 GLN B 42 183.234 204.244 229.334 1.00 0.00 -0.368 N +ATOM 5476 HE22 GLN B 42 183.578 203.456 229.338 1.00 0.00 0.159 HD +ATOM 5477 HE21 GLN B 42 182.648 204.461 229.924 1.00 0.00 0.159 HD +ATOM 5478 H GLN B 42 183.760 202.260 225.959 1.00 0.00 0.164 HD +ATOM 5479 C ASN B 43 181.044 204.694 221.643 1.00 0.00 0.242 C +ATOM 5480 O ASN B 43 181.380 204.317 220.525 1.00 0.00 -0.273 OA +ATOM 5481 CA ASN B 43 181.924 205.660 222.427 1.00 0.00 0.180 C +ATOM 5482 N ASN B 43 182.086 205.308 223.835 1.00 0.00 -0.342 N +ATOM 5483 CB ASN B 43 183.299 205.746 221.764 1.00 0.00 0.134 C +ATOM 5484 CG ASN B 43 184.237 206.682 222.495 1.00 0.00 0.220 C +ATOM 5485 OD1 ASN B 43 183.868 207.801 222.847 1.00 0.00 -0.275 OA +ATOM 5486 ND2 ASN B 43 185.456 206.221 222.742 1.00 0.00 -0.368 N +ATOM 5487 HD22 ASN B 43 186.026 206.715 223.155 1.00 0.00 0.159 HD +ATOM 5488 HD21 ASN B 43 185.676 205.430 222.489 1.00 0.00 0.159 HD +ATOM 5489 H ASN B 43 181.886 205.948 224.374 1.00 0.00 0.164 HD +ATOM 5490 C ARG B 44 179.297 201.979 221.554 1.00 0.00 0.242 C +ATOM 5491 O ARG B 44 178.596 201.181 220.937 1.00 0.00 -0.273 OA +ATOM 5492 CA ARG B 44 178.908 203.451 221.613 1.00 0.00 0.171 C +ATOM 5493 N ARG B 44 179.926 204.297 222.248 1.00 0.00 -0.344 N +ATOM 5494 CB ARG B 44 178.585 203.938 220.192 1.00 0.00 0.038 C +ATOM 5495 CG ARG B 44 178.219 205.410 220.095 1.00 0.00 0.040 C +ATOM 5496 CD ARG B 44 176.986 205.731 220.910 1.00 0.00 0.197 C +ATOM 5497 NE ARG B 44 175.895 204.803 220.631 1.00 0.00 -0.278 N +ATOM 5498 HE ARG B 44 175.754 204.169 221.195 1.00 0.00 0.260 HD +ATOM 5499 CZ ARG B 44 175.105 204.870 219.565 1.00 0.00 0.339 C +ATOM 5500 NH1 ARG B 44 175.277 205.822 218.657 1.00 0.00 -0.290 N +ATOM 5501 NH2 ARG B 44 174.140 203.975 219.403 1.00 0.00 -0.290 N +ATOM 5502 HH12 ARG B 44 175.902 206.404 218.758 1.00 0.00 0.256 HD +ATOM 5503 HH11 ARG B 44 174.762 205.859 217.970 1.00 0.00 0.256 HD +ATOM 5504 HH22 ARG B 44 174.026 203.355 219.989 1.00 0.00 0.256 HD +ATOM 5505 HH21 ARG B 44 173.627 204.015 218.714 1.00 0.00 0.256 HD +ATOM 5506 H ARG B 44 179.726 204.512 223.057 1.00 0.00 0.164 HD +ATOM 5507 C GLY B 45 179.717 199.410 222.958 1.00 0.00 0.239 C +ATOM 5508 O GLY B 45 179.135 199.873 223.938 1.00 0.00 -0.273 OA +ATOM 5509 CA GLY B 45 180.791 200.218 222.257 1.00 0.00 0.216 C +ATOM 5510 N GLY B 45 180.403 201.614 222.193 1.00 0.00 -0.346 N +ATOM 5511 H GLY B 45 180.940 202.154 222.594 1.00 0.00 0.164 HD +ATOM 5512 C VAL B 46 178.985 196.415 224.055 1.00 0.00 0.243 C +ATOM 5513 O VAL B 46 179.891 195.644 223.749 1.00 0.00 -0.272 OA +ATOM 5514 CA VAL B 46 178.394 197.366 223.025 1.00 0.00 0.173 C +ATOM 5515 N VAL B 46 179.444 198.209 222.458 1.00 0.00 -0.343 N +ATOM 5516 CB VAL B 46 177.662 196.553 221.941 1.00 0.00 0.015 C +ATOM 5517 CG1 VAL B 46 176.516 195.761 222.554 1.00 0.00 0.010 C +ATOM 5518 CG2 VAL B 46 177.142 197.472 220.846 1.00 0.00 0.010 C +ATOM 5519 H VAL B 46 179.853 197.858 221.788 1.00 0.00 0.164 HD +ATOM 5520 CB CYS B 47 178.755 196.307 227.715 1.00 0.00 0.116 C +ATOM 5521 SG CYS B 47 179.652 195.506 229.079 1.00 0.00 -0.092 SA +ATOM 5522 CA CYS B 47 178.950 195.630 226.359 1.00 0.00 0.183 C +ATOM 5523 C CYS B 47 178.242 194.285 226.346 1.00 0.00 0.244 C +ATOM 5524 N CYS B 47 178.464 196.476 225.276 1.00 0.00 -0.343 N +ATOM 5525 O CYS B 47 177.038 194.202 226.113 1.00 0.00 -0.272 OA +ATOM 5526 H CYS B 47 177.823 197.003 225.505 1.00 0.00 0.164 HD +ATOM 5527 C MET B 48 179.192 191.116 227.715 1.00 0.00 0.242 C +ATOM 5528 O MET B 48 180.412 191.179 227.852 1.00 0.00 -0.272 OA +ATOM 5529 CA MET B 48 178.505 191.877 226.597 1.00 0.00 0.172 C +ATOM 5530 N MET B 48 179.012 193.236 226.597 1.00 0.00 -0.344 N +ATOM 5531 CB MET B 48 178.766 191.208 225.246 1.00 0.00 0.046 C +ATOM 5532 CG MET B 48 178.194 189.808 225.111 1.00 0.00 0.072 C +ATOM 5533 SD MET B 48 178.647 189.024 223.554 1.00 0.00 -0.165 SA +ATOM 5534 CE MET B 48 180.423 188.880 223.737 1.00 0.00 0.085 C +ATOM 5535 H MET B 48 179.852 193.290 226.775 1.00 0.00 0.164 HD +ATOM 5536 C SER B 49 179.630 188.367 228.976 1.00 0.00 0.244 C +ATOM 5537 O SER B 49 179.113 187.803 228.013 1.00 0.00 -0.272 OA +ATOM 5538 CA SER B 49 178.989 189.605 229.587 1.00 0.00 0.197 C +ATOM 5539 N SER B 49 178.413 190.412 228.525 1.00 0.00 -0.342 N +ATOM 5540 CB SER B 49 177.931 189.210 230.619 1.00 0.00 0.191 C +ATOM 5541 OG SER B 49 176.969 188.334 230.058 1.00 0.00 -0.392 OA +ATOM 5542 HG SER B 49 177.344 187.634 229.783 1.00 0.00 0.210 HD +ATOM 5543 H SER B 49 177.554 190.384 228.481 1.00 0.00 0.164 HD +ATOM 5544 C VAL B 50 181.789 185.961 230.366 1.00 0.00 0.243 C +ATOM 5545 O VAL B 50 182.738 186.282 231.075 1.00 0.00 -0.272 OA +ATOM 5546 CA VAL B 50 181.452 186.750 229.112 1.00 0.00 0.173 C +ATOM 5547 N VAL B 50 180.770 187.968 229.528 1.00 0.00 -0.343 N +ATOM 5548 CB VAL B 50 182.727 187.048 228.304 1.00 0.00 0.015 C +ATOM 5549 CG1 VAL B 50 183.397 185.754 227.871 1.00 0.00 0.010 C +ATOM 5550 CG2 VAL B 50 182.396 187.903 227.091 1.00 0.00 0.010 C +ATOM 5551 H VAL B 50 181.175 188.393 230.156 1.00 0.00 0.164 HD +ATOM 5552 C GLY B 51 180.486 185.148 232.982 1.00 0.00 0.239 C +ATOM 5553 O GLY B 51 179.802 186.123 232.670 1.00 0.00 -0.273 OA +ATOM 5554 CA GLY B 51 181.080 184.252 231.915 1.00 0.00 0.216 C +ATOM 5555 N GLY B 51 181.000 184.932 230.640 1.00 0.00 -0.346 N +ATOM 5556 H GLY B 51 180.411 184.610 230.103 1.00 0.00 0.164 HD +ATOM 5557 C PHE B 52 180.911 186.781 235.802 1.00 0.00 0.243 C +ATOM 5558 O PHE B 52 180.328 187.698 236.377 1.00 0.00 -0.272 OA +ATOM 5559 CA PHE B 52 180.137 185.543 235.353 1.00 0.00 0.175 C +ATOM 5560 N PHE B 52 180.760 184.834 234.241 1.00 0.00 -0.343 N +ATOM 5561 CB PHE B 52 179.966 184.595 236.539 1.00 0.00 0.070 C +ATOM 5562 CG PHE B 52 178.979 183.491 236.292 1.00 0.00 -0.045 A +ATOM 5563 CD1 PHE B 52 177.635 183.670 236.574 1.00 0.00 0.004 A +ATOM 5564 CD2 PHE B 52 179.393 182.277 235.772 1.00 0.00 0.004 A +ATOM 5565 CE1 PHE B 52 176.725 182.658 236.347 1.00 0.00 0.000 A +ATOM 5566 CE2 PHE B 52 178.485 181.262 235.543 1.00 0.00 0.000 A +ATOM 5567 CZ PHE B 52 177.150 181.454 235.831 1.00 0.00 0.000 A +ATOM 5568 H PHE B 52 181.305 184.213 234.481 1.00 0.00 0.164 HD +ATOM 5569 C ASP B 53 183.768 188.733 235.049 1.00 0.00 0.242 C +ATOM 5570 O ASP B 53 184.533 189.628 235.406 1.00 0.00 -0.273 OA +ATOM 5571 CA ASP B 53 183.086 187.845 236.092 1.00 0.00 0.176 C +ATOM 5572 N ASP B 53 182.213 186.813 235.530 1.00 0.00 -0.343 N +ATOM 5573 CB ASP B 53 184.155 187.187 236.966 1.00 0.00 0.087 C +ATOM 5574 CG ASP B 53 185.068 186.264 236.180 1.00 0.00 0.044 C +ATOM 5575 OD1 ASP B 53 184.728 185.929 235.024 1.00 0.00 -0.548 OA +ATOM 5576 OD2 ASP B 53 186.123 185.870 236.720 1.00 0.00 -0.549 OA +ATOM 5577 H ASP B 53 182.618 186.248 235.023 1.00 0.00 0.164 HD +ATOM 5578 C GLN B 54 183.126 189.849 231.719 1.00 0.00 0.242 C +ATOM 5579 O GLN B 54 181.978 189.416 231.646 1.00 0.00 -0.273 OA +ATOM 5580 CA GLN B 54 184.129 189.260 232.700 1.00 0.00 0.171 C +ATOM 5581 N GLN B 54 183.495 188.494 233.770 1.00 0.00 -0.343 N +ATOM 5582 CB GLN B 54 185.122 188.389 231.931 1.00 0.00 0.045 C +ATOM 5583 CG GLN B 54 186.378 188.050 232.698 1.00 0.00 0.102 C +ATOM 5584 CD GLN B 54 187.514 187.665 231.778 1.00 0.00 0.217 C +ATOM 5585 OE1 GLN B 54 187.905 186.500 231.705 1.00 0.00 -0.275 OA +ATOM 5586 NE2 GLN B 54 188.049 188.647 231.061 1.00 0.00 -0.368 N +ATOM 5587 HE22 GLN B 54 187.746 189.449 231.136 1.00 0.00 0.159 HD +ATOM 5588 HE21 GLN B 54 188.698 188.482 230.522 1.00 0.00 0.159 HD +ATOM 5589 H GLN B 54 182.945 187.892 233.494 1.00 0.00 0.164 HD +ATOM 5590 C TYR B 55 183.631 191.622 228.660 1.00 0.00 0.243 C +ATOM 5591 O TYR B 55 184.857 191.552 228.713 1.00 0.00 -0.272 OA +ATOM 5592 CA TYR B 55 182.789 191.455 229.915 1.00 0.00 0.175 C +ATOM 5593 N TYR B 55 183.583 190.846 230.969 1.00 0.00 -0.343 N +ATOM 5594 CB TYR B 55 182.231 192.813 230.358 1.00 0.00 0.070 C +ATOM 5595 CG TYR B 55 183.278 193.888 230.547 1.00 0.00 -0.045 A +ATOM 5596 CD1 TYR B 55 183.858 194.111 231.787 1.00 0.00 0.007 A +ATOM 5597 CD2 TYR B 55 183.679 194.686 229.485 1.00 0.00 0.007 A +ATOM 5598 CE1 TYR B 55 184.813 195.094 231.964 1.00 0.00 0.046 A +ATOM 5599 CE2 TYR B 55 184.634 195.669 229.653 1.00 0.00 0.046 A +ATOM 5600 CZ TYR B 55 185.197 195.869 230.895 1.00 0.00 0.115 A +ATOM 5601 OH TYR B 55 186.145 196.846 231.070 1.00 0.00 -0.507 OA +ATOM 5602 HH TYR B 55 186.286 197.242 230.342 1.00 0.00 0.294 HD +ATOM 5603 H TYR B 55 184.365 191.192 231.055 1.00 0.00 0.164 HD +ATOM 5604 C LYS B 56 182.964 193.304 225.609 1.00 0.00 0.242 C +ATOM 5605 O LYS B 56 181.737 193.393 225.554 1.00 0.00 -0.273 OA +ATOM 5606 CA LYS B 56 183.621 192.102 226.268 1.00 0.00 0.171 C +ATOM 5607 N LYS B 56 182.959 191.832 227.535 1.00 0.00 -0.344 N +ATOM 5608 CB LYS B 56 183.556 190.880 225.348 1.00 0.00 0.035 C +ATOM 5609 CG LYS B 56 184.196 191.082 223.981 1.00 0.00 0.008 C +ATOM 5610 CD LYS B 56 185.672 191.425 224.097 1.00 0.00 0.061 C +ATOM 5611 CE LYS B 56 186.371 191.340 222.750 1.00 0.00 0.258 C +ATOM 5612 NZ LYS B 56 185.751 192.238 221.740 1.00 0.00 -0.357 N +ATOM 5613 HZ1 LYS B 56 186.182 192.165 220.964 1.00 0.00 0.345 HD +ATOM 5614 HZ2 LYS B 56 184.898 192.016 221.619 1.00 0.00 0.345 HD +ATOM 5615 HZ3 LYS B 56 185.794 193.082 222.017 1.00 0.00 0.345 HD +ATOM 5616 H LYS B 56 182.100 191.824 227.480 1.00 0.00 0.164 HD +ATOM 5617 CB CYS B 57 184.032 196.668 224.906 1.00 0.00 0.116 C +ATOM 5618 SG CYS B 57 183.645 197.199 226.592 1.00 0.00 -0.092 SA +ATOM 5619 CA CYS B 57 183.281 195.419 224.449 1.00 0.00 0.183 C +ATOM 5620 C CYS B 57 183.402 195.268 222.940 1.00 0.00 0.244 C +ATOM 5621 N CYS B 57 183.783 194.232 225.125 1.00 0.00 -0.343 N +ATOM 5622 O CYS B 57 184.482 194.997 222.412 1.00 0.00 -0.272 OA +ATOM 5623 H CYS B 57 184.641 194.195 225.176 1.00 0.00 0.164 HD +ATOM 5624 C ASP B 58 182.478 196.810 220.274 1.00 0.00 0.242 C +ATOM 5625 O ASP B 58 181.649 197.696 220.453 1.00 0.00 -0.273 OA +ATOM 5626 CA ASP B 58 182.239 195.405 220.806 1.00 0.00 0.176 C +ATOM 5627 N ASP B 58 182.278 195.438 222.257 1.00 0.00 -0.343 N +ATOM 5628 CB ASP B 58 180.898 194.861 220.322 1.00 0.00 0.087 C +ATOM 5629 CG ASP B 58 180.920 194.476 218.866 1.00 0.00 0.044 C +ATOM 5630 OD1 ASP B 58 181.863 194.881 218.154 1.00 0.00 -0.548 OA +ATOM 5631 OD2 ASP B 58 179.991 193.769 218.432 1.00 0.00 -0.549 OA +ATOM 5632 H ASP B 58 181.511 195.576 222.620 1.00 0.00 0.164 HD +ATOM 5633 CB CYS B 59 185.546 198.506 219.417 1.00 0.00 0.116 C +ATOM 5634 SG CYS B 59 186.037 198.435 221.156 1.00 0.00 -0.092 SA +ATOM 5635 CA CYS B 59 184.043 198.328 219.179 1.00 0.00 0.183 C +ATOM 5636 C CYS B 59 183.721 198.565 217.708 1.00 0.00 0.244 C +ATOM 5637 N CYS B 59 183.621 197.007 219.626 1.00 0.00 -0.343 N +ATOM 5638 O CYS B 59 184.115 199.583 217.144 1.00 0.00 -0.272 OA +ATOM 5639 H CYS B 59 184.178 196.381 219.431 1.00 0.00 0.164 HD +ATOM 5640 C THR B 60 182.123 199.033 215.238 1.00 0.00 0.245 C +ATOM 5641 O THR B 60 181.108 199.501 215.749 1.00 0.00 -0.273 OA +ATOM 5642 CA THR B 60 182.673 197.676 215.679 1.00 0.00 0.199 C +ATOM 5643 N THR B 60 183.005 197.624 217.102 1.00 0.00 -0.341 N +ATOM 5644 CB THR B 60 181.636 196.588 215.320 1.00 0.00 0.143 C +ATOM 5645 CG2 THR B 60 181.334 196.585 213.824 1.00 0.00 0.041 C +ATOM 5646 OG1 THR B 60 182.138 195.301 215.699 1.00 0.00 -0.389 OA +ATOM 5647 HG1 THR B 60 182.282 195.281 216.526 1.00 0.00 0.211 HD +ATOM 5648 H THR B 60 182.693 196.929 217.501 1.00 0.00 0.164 HD +ATOM 5649 C ARG B 61 182.165 202.039 214.695 1.00 0.00 0.242 C +ATOM 5650 O ARG B 61 181.371 202.944 214.446 1.00 0.00 -0.273 OA +ATOM 5651 CA ARG B 61 182.403 200.916 213.679 1.00 0.00 0.171 C +ATOM 5652 N ARG B 61 182.815 199.648 214.284 1.00 0.00 -0.344 N +ATOM 5653 CB ARG B 61 181.140 200.703 212.836 1.00 0.00 0.038 C +ATOM 5654 CG ARG B 61 181.394 199.963 211.542 1.00 0.00 0.040 C +ATOM 5655 CD ARG B 61 180.134 199.840 210.709 1.00 0.00 0.197 C +ATOM 5656 NE ARG B 61 179.152 198.955 211.328 1.00 0.00 -0.278 N +ATOM 5657 HE ARG B 61 178.500 199.317 211.757 1.00 0.00 0.260 HD +ATOM 5658 CZ ARG B 61 179.197 197.628 211.272 1.00 0.00 0.339 C +ATOM 5659 NH1 ARG B 61 178.257 196.907 211.867 1.00 0.00 -0.290 N +ATOM 5660 NH2 ARG B 61 180.184 197.017 210.630 1.00 0.00 -0.290 N +ATOM 5661 HH12 ARG B 61 177.616 197.298 212.286 1.00 0.00 0.256 HD +ATOM 5662 HH11 ARG B 61 178.288 196.049 211.833 1.00 0.00 0.256 HD +ATOM 5663 HH22 ARG B 61 180.796 197.480 210.243 1.00 0.00 0.256 HD +ATOM 5664 HH21 ARG B 61 180.209 196.158 210.599 1.00 0.00 0.256 HD +ATOM 5665 H ARG B 61 183.551 199.342 213.959 1.00 0.00 0.164 HD +ATOM 5666 C THR B 62 183.818 204.166 216.505 1.00 0.00 0.245 C +ATOM 5667 O THR B 62 183.673 205.303 216.955 1.00 0.00 -0.273 OA +ATOM 5668 CA THR B 62 182.795 203.075 216.806 1.00 0.00 0.199 C +ATOM 5669 N THR B 62 182.861 201.992 215.827 1.00 0.00 -0.341 N +ATOM 5670 CB THR B 62 183.040 202.571 218.240 1.00 0.00 0.143 C +ATOM 5671 CG2 THR B 62 181.972 201.565 218.649 1.00 0.00 0.041 C +ATOM 5672 OG1 THR B 62 184.337 201.965 218.327 1.00 0.00 -0.389 OA +ATOM 5673 HG1 THR B 62 184.387 201.316 217.796 1.00 0.00 0.211 HD +ATOM 5674 H THR B 62 183.379 201.344 216.053 1.00 0.00 0.164 HD +ATOM 5675 C GLY B 63 187.018 204.573 216.581 1.00 0.00 0.239 C +ATOM 5676 O GLY B 63 188.001 205.314 216.600 1.00 0.00 -0.273 OA +ATOM 5677 CA GLY B 63 185.964 204.712 215.499 1.00 0.00 0.216 C +ATOM 5678 N GLY B 63 184.847 203.816 215.740 1.00 0.00 -0.346 N +ATOM 5679 H GLY B 63 184.920 203.055 215.346 1.00 0.00 0.164 HD +ATOM 5680 C PHE B 64 188.070 201.883 218.681 1.00 0.00 0.243 C +ATOM 5681 O PHE B 64 187.482 201.052 217.990 1.00 0.00 -0.272 OA +ATOM 5682 CA PHE B 64 187.729 203.366 218.584 1.00 0.00 0.175 C +ATOM 5683 N PHE B 64 186.809 203.618 217.482 1.00 0.00 -0.343 N +ATOM 5684 CB PHE B 64 187.124 203.841 219.908 1.00 0.00 0.070 C +ATOM 5685 CG PHE B 64 186.903 205.324 219.978 1.00 0.00 -0.045 A +ATOM 5686 CD1 PHE B 64 185.785 205.899 219.400 1.00 0.00 0.004 A +ATOM 5687 CD2 PHE B 64 187.808 206.142 220.629 1.00 0.00 0.004 A +ATOM 5688 CE1 PHE B 64 185.580 207.266 219.466 1.00 0.00 0.000 A +ATOM 5689 CE2 PHE B 64 187.607 207.507 220.698 1.00 0.00 0.000 A +ATOM 5690 CZ PHE B 64 186.491 208.068 220.116 1.00 0.00 0.000 A +ATOM 5691 H PHE B 64 186.128 203.093 217.475 1.00 0.00 0.164 HD +ATOM 5692 C TYR B 65 189.961 200.116 221.248 1.00 0.00 0.243 C +ATOM 5693 O TYR B 65 190.129 201.142 221.905 1.00 0.00 -0.272 OA +ATOM 5694 CA TYR B 65 189.367 200.184 219.848 1.00 0.00 0.175 C +ATOM 5695 N TYR B 65 189.029 201.566 219.542 1.00 0.00 -0.343 N +ATOM 5696 CB TYR B 65 190.341 199.608 218.817 1.00 0.00 0.070 C +ATOM 5697 CG TYR B 65 191.649 200.357 218.713 1.00 0.00 -0.045 A +ATOM 5698 CD1 TYR B 65 191.796 201.408 217.821 1.00 0.00 0.007 A +ATOM 5699 CD2 TYR B 65 192.738 200.010 219.504 1.00 0.00 0.007 A +ATOM 5700 CE1 TYR B 65 192.986 202.095 217.720 1.00 0.00 0.046 A +ATOM 5701 CE2 TYR B 65 193.933 200.692 219.408 1.00 0.00 0.046 A +ATOM 5702 CZ TYR B 65 194.052 201.734 218.515 1.00 0.00 0.115 A +ATOM 5703 OH TYR B 65 195.237 202.419 218.412 1.00 0.00 -0.507 OA +ATOM 5704 HH TYR B 65 195.800 202.101 218.948 1.00 0.00 0.294 HD +ATOM 5705 H TYR B 65 189.505 202.143 219.967 1.00 0.00 0.164 HD +ATOM 5706 C GLY B 66 189.734 197.984 223.884 1.00 0.00 0.239 C +ATOM 5707 O GLY B 66 188.606 197.775 223.437 1.00 0.00 -0.273 OA +ATOM 5708 CA GLY B 66 190.777 198.683 223.036 1.00 0.00 0.216 C +ATOM 5709 N GLY B 66 190.274 198.905 221.694 1.00 0.00 -0.346 N +ATOM 5710 H GLY B 66 190.201 198.186 221.228 1.00 0.00 0.164 HD +ATOM 5711 C GLU B 67 187.895 197.577 226.221 1.00 0.00 0.242 C +ATOM 5712 O GLU B 67 186.865 196.919 226.354 1.00 0.00 -0.273 OA +ATOM 5713 CA GLU B 67 189.235 196.880 226.003 1.00 0.00 0.171 C +ATOM 5714 N GLU B 67 190.111 197.630 225.108 1.00 0.00 -0.344 N +ATOM 5715 CB GLU B 67 189.920 196.661 227.353 1.00 0.00 0.041 C +ATOM 5716 CG GLU B 67 189.085 195.868 228.349 1.00 0.00 0.055 C +ATOM 5717 CD GLU B 67 189.813 195.614 229.652 1.00 0.00 0.041 C +ATOM 5718 OE1 GLU B 67 190.766 196.361 229.957 1.00 0.00 -0.548 OA +ATOM 5719 OE2 GLU B 67 189.434 194.666 230.370 1.00 0.00 -0.549 OA +ATOM 5720 H GLU B 67 190.879 197.814 225.448 1.00 0.00 0.164 HD +ATOM 5721 C ASN B 68 186.350 200.652 225.423 1.00 0.00 0.242 C +ATOM 5722 O ASN B 68 185.538 201.555 225.617 1.00 0.00 -0.273 OA +ATOM 5723 CA ASN B 68 186.730 199.698 226.555 1.00 0.00 0.180 C +ATOM 5724 N ASN B 68 187.918 198.905 226.251 1.00 0.00 -0.342 N +ATOM 5725 CB ASN B 68 186.954 200.488 227.845 1.00 0.00 0.134 C +ATOM 5726 CG ASN B 68 187.280 199.594 229.026 1.00 0.00 0.220 C +ATOM 5727 OD1 ASN B 68 186.686 198.529 229.196 1.00 0.00 -0.275 OA +ATOM 5728 ND2 ASN B 68 188.231 200.021 229.850 1.00 0.00 -0.368 N +ATOM 5729 HD22 ASN B 68 188.622 200.771 229.699 1.00 0.00 0.159 HD +ATOM 5730 HD21 ASN B 68 188.499 199.454 230.667 1.00 0.00 0.159 HD +ATOM 5731 H ASN B 68 188.619 199.378 226.097 1.00 0.00 0.164 HD +ATOM 5732 CB CYS B 69 185.211 201.167 222.632 1.00 0.00 0.116 C +ATOM 5733 SG CYS B 69 184.683 199.488 222.246 1.00 0.00 -0.092 SA +ATOM 5734 CA CYS B 69 186.671 201.295 223.088 1.00 0.00 0.183 C +ATOM 5735 C CYS B 69 186.982 202.759 223.391 1.00 0.00 0.244 C +ATOM 5736 N CYS B 69 186.929 200.438 224.245 1.00 0.00 -0.343 N +ATOM 5737 O CYS B 69 186.203 203.643 223.043 1.00 0.00 -0.272 OA +ATOM 5738 H CYS B 69 187.481 199.798 224.087 1.00 0.00 0.164 HD +ATOM 5739 C SER B 70 189.714 204.898 223.722 1.00 0.00 0.244 C +ATOM 5740 O SER B 70 190.047 206.076 223.849 1.00 0.00 -0.272 OA +ATOM 5741 CA SER B 70 188.482 204.362 224.453 1.00 0.00 0.197 C +ATOM 5742 N SER B 70 188.119 203.011 224.035 1.00 0.00 -0.342 N +ATOM 5743 CB SER B 70 188.722 204.399 225.965 1.00 0.00 0.191 C +ATOM 5744 OG SER B 70 189.727 203.479 226.350 1.00 0.00 -0.392 OA +ATOM 5745 HG SER B 70 189.845 203.513 227.181 1.00 0.00 0.210 HD +ATOM 5746 H SER B 70 188.700 202.413 224.243 1.00 0.00 0.164 HD +ATOM 5747 C THR B 71 191.036 204.863 220.744 1.00 0.00 0.245 C +ATOM 5748 O THR B 71 190.429 204.046 220.055 1.00 0.00 -0.273 OA +ATOM 5749 CA THR B 71 191.519 204.478 222.144 1.00 0.00 0.199 C +ATOM 5750 N THR B 71 190.384 204.044 222.954 1.00 0.00 -0.341 N +ATOM 5751 CB THR B 71 192.594 203.386 222.023 1.00 0.00 0.143 C +ATOM 5752 CG2 THR B 71 193.828 203.923 221.296 1.00 0.00 0.041 C +ATOM 5753 OG1 THR B 71 192.970 202.939 223.331 1.00 0.00 -0.389 OA +ATOM 5754 HG1 THR B 71 192.301 202.625 223.730 1.00 0.00 0.211 HD +ATOM 5755 H THR B 71 190.202 203.206 222.884 1.00 0.00 0.164 HD +ATOM 5756 C PRO B 72 191.676 206.058 217.838 1.00 0.00 0.243 C +ATOM 5757 O PRO B 72 192.898 206.010 217.961 1.00 0.00 -0.271 OA +ATOM 5758 CA PRO B 72 190.806 206.529 218.997 1.00 0.00 0.175 C +ATOM 5759 N PRO B 72 191.302 206.108 220.311 1.00 0.00 -0.329 N +ATOM 5760 CB PRO B 72 190.834 208.053 219.097 1.00 0.00 0.037 C +ATOM 5761 CG PRO B 72 191.976 208.330 220.009 1.00 0.00 0.024 C +ATOM 5762 CD PRO B 72 191.997 207.205 221.009 1.00 0.00 0.121 C +ATOM 5763 C GLU B 73 192.201 206.828 214.950 1.00 0.00 0.242 C +ATOM 5764 O GLU B 73 191.782 207.861 215.472 1.00 0.00 -0.273 OA +ATOM 5765 CA GLU B 73 191.759 205.472 215.481 1.00 0.00 0.171 C +ATOM 5766 N GLU B 73 191.041 205.712 216.724 1.00 0.00 -0.344 N +ATOM 5767 CB GLU B 73 190.878 204.734 214.478 1.00 0.00 0.041 C +ATOM 5768 CG GLU B 73 190.439 203.358 214.962 1.00 0.00 0.055 C +ATOM 5769 CD GLU B 73 189.262 202.801 214.187 1.00 0.00 0.041 C +ATOM 5770 OE1 GLU B 73 188.626 203.561 213.427 1.00 0.00 -0.548 OA +ATOM 5771 OE2 GLU B 73 188.971 201.597 214.341 1.00 0.00 -0.549 OA +ATOM 5772 H GLU B 73 190.190 205.610 216.662 1.00 0.00 0.164 HD +ATOM 5773 C PHE B 74 192.731 209.142 212.989 1.00 0.00 0.243 C +ATOM 5774 O PHE B 74 192.859 210.318 213.319 1.00 0.00 -0.272 OA +ATOM 5775 CA PHE B 74 193.694 208.086 213.530 1.00 0.00 0.175 C +ATOM 5776 N PHE B 74 193.036 206.843 213.917 1.00 0.00 -0.343 N +ATOM 5777 CB PHE B 74 194.786 207.824 212.494 1.00 0.00 0.070 C +ATOM 5778 CG PHE B 74 195.756 208.960 212.357 1.00 0.00 -0.045 A +ATOM 5779 CD1 PHE B 74 196.688 209.207 213.351 1.00 0.00 0.004 A +ATOM 5780 CD2 PHE B 74 195.725 209.793 211.254 1.00 0.00 0.004 A +ATOM 5781 CE1 PHE B 74 197.576 210.253 213.242 1.00 0.00 0.000 A +ATOM 5782 CE2 PHE B 74 196.616 210.844 211.140 1.00 0.00 0.000 A +ATOM 5783 CZ PHE B 74 197.541 211.073 212.135 1.00 0.00 0.000 A +ATOM 5784 H PHE B 74 193.235 206.162 213.432 1.00 0.00 0.164 HD +ATOM 5785 C LEU B 75 189.865 210.189 212.640 1.00 0.00 0.243 C +ATOM 5786 O LEU B 75 189.334 211.294 212.537 1.00 0.00 -0.272 OA +ATOM 5787 CA LEU B 75 190.837 209.692 211.582 1.00 0.00 0.172 C +ATOM 5788 N LEU B 75 191.778 208.736 212.157 1.00 0.00 -0.345 N +ATOM 5789 CB LEU B 75 190.074 209.074 210.412 1.00 0.00 0.038 C +ATOM 5790 CG LEU B 75 190.904 208.626 209.203 1.00 0.00 -0.015 C +ATOM 5791 CD1 LEU B 75 190.022 208.595 207.965 1.00 0.00 0.007 C +ATOM 5792 CD2 LEU B 75 192.127 209.513 208.971 1.00 0.00 0.007 C +ATOM 5793 H LEU B 75 191.655 207.921 211.911 1.00 0.00 0.165 HD +ATOM 5794 C THR B 76 189.539 210.928 215.508 1.00 0.00 0.245 C +ATOM 5795 O THR B 76 188.918 211.928 215.863 1.00 0.00 -0.273 OA +ATOM 5796 CA THR B 76 188.827 209.785 214.789 1.00 0.00 0.199 C +ATOM 5797 N THR B 76 189.633 209.367 213.655 1.00 0.00 -0.341 N +ATOM 5798 CB THR B 76 188.572 208.622 215.762 1.00 0.00 0.143 C +ATOM 5799 CG2 THR B 76 187.580 209.021 216.838 1.00 0.00 0.041 C +ATOM 5800 OG1 THR B 76 188.059 207.499 215.037 1.00 0.00 -0.389 OA +ATOM 5801 HG1 THR B 76 187.917 206.859 215.562 1.00 0.00 0.211 HD +ATOM 5802 H THR B 76 189.932 208.562 213.710 1.00 0.00 0.164 HD +ATOM 5803 C ARG B 77 191.600 213.134 215.591 1.00 0.00 0.242 C +ATOM 5804 O ARG B 77 191.515 214.202 216.194 1.00 0.00 -0.273 OA +ATOM 5805 CA ARG B 77 191.653 211.817 216.352 1.00 0.00 0.171 C +ATOM 5806 N ARG B 77 190.849 210.783 215.701 1.00 0.00 -0.344 N +ATOM 5807 CB ARG B 77 193.109 211.375 216.484 1.00 0.00 0.038 C +ATOM 5808 CG ARG B 77 193.333 210.212 217.424 1.00 0.00 0.040 C +ATOM 5809 CD ARG B 77 194.813 209.961 217.616 1.00 0.00 0.197 C +ATOM 5810 NE ARG B 77 195.453 211.038 218.363 1.00 0.00 -0.278 N +ATOM 5811 HE ARG B 77 194.946 211.613 218.752 1.00 0.00 0.260 HD +ATOM 5812 CZ ARG B 77 196.768 211.189 218.483 1.00 0.00 0.339 C +ATOM 5813 NH1 ARG B 77 197.257 212.200 219.186 1.00 0.00 -0.290 N +ATOM 5814 NH2 ARG B 77 197.595 210.333 217.896 1.00 0.00 -0.290 N +ATOM 5815 HH12 ARG B 77 196.723 212.757 219.566 1.00 0.00 0.256 HD +ATOM 5816 HH11 ARG B 77 198.108 212.300 219.262 1.00 0.00 0.256 HD +ATOM 5817 HH22 ARG B 77 197.280 209.675 217.440 1.00 0.00 0.256 HD +ATOM 5818 HH21 ARG B 77 198.445 210.434 217.975 1.00 0.00 0.256 HD +ATOM 5819 H ARG B 77 191.299 210.090 215.462 1.00 0.00 0.164 HD +ATOM 5820 C ILE B 78 190.182 214.855 213.543 1.00 0.00 0.243 C +ATOM 5821 O ILE B 78 190.051 216.070 213.675 1.00 0.00 -0.272 OA +ATOM 5822 CA ILE B 78 191.570 214.238 213.426 1.00 0.00 0.174 C +ATOM 5823 N ILE B 78 191.664 213.052 214.266 1.00 0.00 -0.343 N +ATOM 5824 CB ILE B 78 191.872 213.914 211.952 1.00 0.00 0.018 C +ATOM 5825 CG2 ILE B 78 191.666 215.153 211.074 1.00 0.00 0.010 C +ATOM 5826 CG1 ILE B 78 193.307 213.397 211.818 1.00 0.00 0.002 C +ATOM 5827 CD1 ILE B 78 193.690 212.963 210.419 1.00 0.00 0.004 C +ATOM 5828 H ILE B 78 191.762 212.319 213.829 1.00 0.00 0.164 HD +ATOM 5829 C LYS B 79 187.599 215.216 214.960 1.00 0.00 0.242 C +ATOM 5830 O LYS B 79 187.042 216.313 214.999 1.00 0.00 -0.273 OA +ATOM 5831 CA LYS B 79 187.781 214.479 213.640 1.00 0.00 0.171 C +ATOM 5832 N LYS B 79 189.154 214.014 213.487 1.00 0.00 -0.344 N +ATOM 5833 CB LYS B 79 186.799 213.309 213.565 1.00 0.00 0.035 C +ATOM 5834 CG LYS B 79 186.413 212.900 212.150 1.00 0.00 0.008 C +ATOM 5835 CD LYS B 79 185.304 211.852 212.144 1.00 0.00 0.061 C +ATOM 5836 CE LYS B 79 183.983 212.416 212.662 1.00 0.00 0.258 C +ATOM 5837 NZ LYS B 79 182.877 211.421 212.612 1.00 0.00 -0.357 N +ATOM 5838 HZ1 LYS B 79 182.127 211.785 212.921 1.00 0.00 0.345 HD +ATOM 5839 HZ2 LYS B 79 182.746 211.154 211.773 1.00 0.00 0.345 HD +ATOM 5840 HZ3 LYS B 79 183.082 210.713 213.112 1.00 0.00 0.345 HD +ATOM 5841 H LYS B 79 189.226 213.167 213.361 1.00 0.00 0.164 HD +ATOM 5842 C LEU B 80 188.691 216.478 217.518 1.00 0.00 0.243 C +ATOM 5843 O LEU B 80 188.231 217.411 218.175 1.00 0.00 -0.272 OA +ATOM 5844 CA LEU B 80 187.912 215.179 217.371 1.00 0.00 0.172 C +ATOM 5845 N LEU B 80 188.075 214.609 216.041 1.00 0.00 -0.345 N +ATOM 5846 CB LEU B 80 188.351 214.177 218.441 1.00 0.00 0.038 C +ATOM 5847 CG LEU B 80 187.496 212.912 218.568 1.00 0.00 -0.015 C +ATOM 5848 CD1 LEU B 80 188.065 211.990 219.631 1.00 0.00 0.007 C +ATOM 5849 CD2 LEU B 80 186.049 213.254 218.879 1.00 0.00 0.007 C +ATOM 5850 H LEU B 80 188.498 213.860 216.030 1.00 0.00 0.165 HD +ATOM 5851 C PHE B 81 190.023 218.915 216.269 1.00 0.00 0.243 C +ATOM 5852 O PHE B 81 190.116 220.054 216.720 1.00 0.00 -0.272 OA +ATOM 5853 CA PHE B 81 190.689 217.741 216.980 1.00 0.00 0.175 C +ATOM 5854 N PHE B 81 189.866 216.541 216.904 1.00 0.00 -0.343 N +ATOM 5855 CB PHE B 81 192.074 217.487 216.380 1.00 0.00 0.070 C +ATOM 5856 CG PHE B 81 192.950 218.709 216.346 1.00 0.00 -0.045 A +ATOM 5857 CD1 PHE B 81 193.417 219.275 217.520 1.00 0.00 0.004 A +ATOM 5858 CD2 PHE B 81 193.302 219.293 215.141 1.00 0.00 0.004 A +ATOM 5859 CE1 PHE B 81 194.216 220.400 217.493 1.00 0.00 0.000 A +ATOM 5860 CE2 PHE B 81 194.103 220.419 215.110 1.00 0.00 0.000 A +ATOM 5861 CZ PHE B 81 194.560 220.971 216.288 1.00 0.00 0.000 A +ATOM 5862 H PHE B 81 190.210 215.905 216.439 1.00 0.00 0.164 HD +ATOM 5863 C LEU B 82 187.338 220.072 214.800 1.00 0.00 0.243 C +ATOM 5864 O LEU B 82 186.895 221.192 214.548 1.00 0.00 -0.272 OA +ATOM 5865 CA LEU B 82 188.741 219.681 214.342 1.00 0.00 0.172 C +ATOM 5866 N LEU B 82 189.346 218.633 215.161 1.00 0.00 -0.345 N +ATOM 5867 CB LEU B 82 188.686 219.241 212.876 1.00 0.00 0.038 C +ATOM 5868 CG LEU B 82 190.024 219.004 212.165 1.00 0.00 -0.015 C +ATOM 5869 CD1 LEU B 82 189.781 218.668 210.704 1.00 0.00 0.007 C +ATOM 5870 CD2 LEU B 82 190.946 220.206 212.288 1.00 0.00 0.007 C +ATOM 5871 H LEU B 82 189.221 217.838 214.859 1.00 0.00 0.165 HD +ATOM 5872 C LYS B 83 185.097 220.499 216.883 1.00 0.00 0.242 C +ATOM 5873 O LYS B 83 185.599 220.371 217.997 1.00 0.00 -0.273 OA +ATOM 5874 CA LYS B 83 185.248 219.390 215.837 1.00 0.00 0.171 C +ATOM 5875 N LYS B 83 186.642 219.159 215.467 1.00 0.00 -0.344 N +ATOM 5876 CB LYS B 83 184.616 218.103 216.367 1.00 0.00 0.035 C +ATOM 5877 CG LYS B 83 183.712 217.411 215.357 1.00 0.00 0.008 C +ATOM 5878 CD LYS B 83 183.171 216.092 215.888 1.00 0.00 0.061 C +ATOM 5879 CE LYS B 83 182.300 215.397 214.853 1.00 0.00 0.258 C +ATOM 5880 NZ LYS B 83 181.935 214.010 215.254 1.00 0.00 -0.357 N +ATOM 5881 HZ1 LYS B 83 181.427 213.636 214.626 1.00 0.00 0.345 HD +ATOM 5882 HZ2 LYS B 83 182.671 213.521 215.361 1.00 0.00 0.345 HD +ATOM 5883 HZ3 LYS B 83 181.483 214.025 216.021 1.00 0.00 0.345 HD +ATOM 5884 H LYS B 83 186.952 218.397 215.717 1.00 0.00 0.164 HD +ATOM 5885 C PRO B 84 183.080 222.128 218.556 1.00 0.00 0.243 C +ATOM 5886 O PRO B 84 182.285 221.247 218.236 1.00 0.00 -0.271 OA +ATOM 5887 CA PRO B 84 184.106 222.619 217.542 1.00 0.00 0.175 C +ATOM 5888 N PRO B 84 184.400 221.597 216.531 1.00 0.00 -0.329 N +ATOM 5889 CB PRO B 84 183.551 223.779 216.714 1.00 0.00 0.037 C +ATOM 5890 CG PRO B 84 182.984 223.131 215.507 1.00 0.00 0.024 C +ATOM 5891 CD PRO B 84 183.876 221.974 215.207 1.00 0.00 0.121 C +ATOM 5892 C THR B 85 180.769 222.781 220.470 1.00 0.00 0.245 C +ATOM 5893 O THR B 85 180.626 223.811 219.819 1.00 0.00 -0.273 OA +ATOM 5894 CA THR B 85 182.174 222.271 220.801 1.00 0.00 0.199 C +ATOM 5895 N THR B 85 183.102 222.688 219.759 1.00 0.00 -0.341 N +ATOM 5896 CB THR B 85 182.630 222.780 222.194 1.00 0.00 0.143 C +ATOM 5897 CG2 THR B 85 182.345 224.265 222.371 1.00 0.00 0.041 C +ATOM 5898 OG1 THR B 85 181.961 222.043 223.223 1.00 0.00 -0.389 OA +ATOM 5899 HG1 THR B 85 181.130 222.142 223.153 1.00 0.00 0.211 HD +ATOM 5900 H THR B 85 183.644 223.312 219.997 1.00 0.00 0.164 HD +ATOM 5901 C PRO B 86 178.045 223.920 221.099 1.00 0.00 0.243 C +ATOM 5902 O PRO B 86 177.270 224.630 220.462 1.00 0.00 -0.271 OA +ATOM 5903 CA PRO B 86 178.356 222.508 220.598 1.00 0.00 0.175 C +ATOM 5904 N PRO B 86 179.721 222.053 220.897 1.00 0.00 -0.329 N +ATOM 5905 CB PRO B 86 177.484 221.473 221.312 1.00 0.00 0.037 C +ATOM 5906 CG PRO B 86 178.317 220.245 221.335 1.00 0.00 0.024 C +ATOM 5907 CD PRO B 86 179.726 220.715 221.518 1.00 0.00 0.121 C +ATOM 5908 C ASN B 87 179.050 226.729 221.813 1.00 0.00 0.242 C +ATOM 5909 O ASN B 87 178.607 227.877 221.794 1.00 0.00 -0.273 OA +ATOM 5910 CA ASN B 87 178.432 225.673 222.728 1.00 0.00 0.180 C +ATOM 5911 N ASN B 87 178.637 224.324 222.216 1.00 0.00 -0.342 N +ATOM 5912 CB ASN B 87 179.009 225.807 224.138 1.00 0.00 0.134 C +ATOM 5913 CG ASN B 87 178.193 225.058 225.181 1.00 0.00 0.220 C +ATOM 5914 OD1 ASN B 87 177.011 224.771 224.980 1.00 0.00 -0.275 OA +ATOM 5915 ND2 ASN B 87 178.823 224.747 226.307 1.00 0.00 -0.368 N +ATOM 5916 HD22 ASN B 87 178.407 224.323 226.929 1.00 0.00 0.159 HD +ATOM 5917 HD21 ASN B 87 179.647 224.968 226.415 1.00 0.00 0.159 HD +ATOM 5918 H ASN B 87 179.161 223.838 222.695 1.00 0.00 0.164 HD +ATOM 5919 C THR B 88 179.849 227.353 218.870 1.00 0.00 0.245 C +ATOM 5920 O THR B 88 179.610 228.456 218.380 1.00 0.00 -0.273 OA +ATOM 5921 CA THR B 88 180.723 227.221 220.104 1.00 0.00 0.199 C +ATOM 5922 N THR B 88 180.069 226.331 221.058 1.00 0.00 -0.341 N +ATOM 5923 CB THR B 88 182.130 226.700 219.713 1.00 0.00 0.143 C +ATOM 5924 CG2 THR B 88 182.632 227.335 218.415 1.00 0.00 0.041 C +ATOM 5925 OG1 THR B 88 183.055 227.007 220.761 1.00 0.00 -0.389 OA +ATOM 5926 HG1 THR B 88 183.821 226.729 220.558 1.00 0.00 0.211 HD +ATOM 5927 H THR B 88 180.405 225.539 221.080 1.00 0.00 0.164 HD +ATOM 5928 C VAL B 89 177.214 226.991 217.550 1.00 0.00 0.243 C +ATOM 5929 O VAL B 89 176.712 227.729 216.704 1.00 0.00 -0.272 OA +ATOM 5930 CA VAL B 89 178.468 226.185 217.236 1.00 0.00 0.173 C +ATOM 5931 N VAL B 89 179.377 226.214 218.373 1.00 0.00 -0.343 N +ATOM 5932 CB VAL B 89 178.078 224.740 216.865 1.00 0.00 0.015 C +ATOM 5933 CG1 VAL B 89 177.074 224.722 215.726 1.00 0.00 0.010 C +ATOM 5934 CG2 VAL B 89 179.316 223.943 216.490 1.00 0.00 0.010 C +ATOM 5935 H VAL B 89 179.571 225.436 218.682 1.00 0.00 0.164 HD +ATOM 5936 C HIS B 90 175.783 229.072 219.229 1.00 0.00 0.242 C +ATOM 5937 O HIS B 90 174.936 229.850 218.793 1.00 0.00 -0.272 OA +ATOM 5938 CA HIS B 90 175.533 227.570 219.218 1.00 0.00 0.177 C +ATOM 5939 N HIS B 90 176.717 226.843 218.773 1.00 0.00 -0.343 N +ATOM 5940 CB HIS B 90 175.107 227.104 220.610 1.00 0.00 0.090 C +ATOM 5941 CG HIS B 90 173.947 227.867 221.172 1.00 0.00 0.037 A +ATOM 5942 ND1 HIS B 90 172.637 227.499 220.950 1.00 0.00 -0.347 N +ATOM 5943 CD2 HIS B 90 173.900 228.981 221.940 1.00 0.00 0.134 A +ATOM 5944 HD1 HIS B 90 172.383 226.819 220.488 1.00 0.00 0.167 HD +ATOM 5945 CE1 HIS B 90 171.834 228.351 221.560 1.00 0.00 0.196 A +ATOM 5946 NE2 HIS B 90 172.575 229.260 222.168 1.00 0.00 -0.245 NA +ATOM 5947 H HIS B 90 177.050 226.322 219.371 1.00 0.00 0.164 HD +ATOM 5948 C TYR B 91 177.306 231.464 218.359 1.00 0.00 0.243 C +ATOM 5949 O TYR B 91 176.744 232.531 218.119 1.00 0.00 -0.272 OA +ATOM 5950 CA TYR B 91 177.317 230.883 219.764 1.00 0.00 0.175 C +ATOM 5951 N TYR B 91 176.946 229.475 219.733 1.00 0.00 -0.343 N +ATOM 5952 CB TYR B 91 178.703 231.070 220.386 1.00 0.00 0.070 C +ATOM 5953 CG TYR B 91 179.129 232.519 220.469 1.00 0.00 -0.045 A +ATOM 5954 CD1 TYR B 91 179.773 233.139 219.405 1.00 0.00 0.007 A +ATOM 5955 CD2 TYR B 91 178.881 233.268 221.609 1.00 0.00 0.007 A +ATOM 5956 CE1 TYR B 91 180.159 234.463 219.478 1.00 0.00 0.046 A +ATOM 5957 CE2 TYR B 91 179.264 234.591 221.690 1.00 0.00 0.046 A +ATOM 5958 CZ TYR B 91 179.901 235.183 220.623 1.00 0.00 0.115 A +ATOM 5959 OH TYR B 91 180.279 236.502 220.707 1.00 0.00 -0.507 OA +ATOM 5960 HH TYR B 91 180.061 236.816 221.455 1.00 0.00 0.294 HD +ATOM 5961 H TYR B 91 177.540 228.948 220.065 1.00 0.00 0.164 HD +ATOM 5962 C ILE B 92 176.728 231.296 215.356 1.00 0.00 0.243 C +ATOM 5963 O ILE B 92 176.484 232.232 214.596 1.00 0.00 -0.272 OA +ATOM 5964 CA ILE B 92 178.079 231.200 216.061 1.00 0.00 0.174 C +ATOM 5965 N ILE B 92 177.936 230.748 217.437 1.00 0.00 -0.343 N +ATOM 5966 CB ILE B 92 179.022 230.259 215.283 1.00 0.00 0.018 C +ATOM 5967 CG2 ILE B 92 178.969 230.530 213.781 1.00 0.00 0.010 C +ATOM 5968 CG1 ILE B 92 180.455 230.441 215.792 1.00 0.00 0.002 C +ATOM 5969 CD1 ILE B 92 181.358 229.260 215.546 1.00 0.00 0.004 C +ATOM 5970 H ILE B 92 178.296 229.981 217.588 1.00 0.00 0.164 HD +ATOM 5971 C LEU B 93 173.597 231.364 215.557 1.00 0.00 0.243 C +ATOM 5972 O LEU B 93 172.619 231.736 214.911 1.00 0.00 -0.272 OA +ATOM 5973 CA LEU B 93 174.536 230.302 214.988 1.00 0.00 0.172 C +ATOM 5974 N LEU B 93 175.854 230.330 215.616 1.00 0.00 -0.345 N +ATOM 5975 CB LEU B 93 173.906 228.918 215.149 1.00 0.00 0.038 C +ATOM 5976 CG LEU B 93 174.368 227.862 214.145 1.00 0.00 -0.015 C +ATOM 5977 CD1 LEU B 93 174.113 226.472 214.683 1.00 0.00 0.007 C +ATOM 5978 CD2 LEU B 93 173.661 228.054 212.814 1.00 0.00 0.007 C +ATOM 5979 H LEU B 93 175.999 229.676 216.155 1.00 0.00 0.165 HD +ATOM 5980 C THR B 94 173.650 234.226 217.475 1.00 0.00 0.245 C +ATOM 5981 O THR B 94 173.108 235.123 218.118 1.00 0.00 -0.273 OA +ATOM 5982 CA THR B 94 173.039 232.824 217.434 1.00 0.00 0.199 C +ATOM 5983 N THR B 94 173.900 231.855 216.756 1.00 0.00 -0.341 N +ATOM 5984 CB THR B 94 172.725 232.381 218.872 1.00 0.00 0.143 C +ATOM 5985 CG2 THR B 94 172.046 231.016 218.873 1.00 0.00 0.041 C +ATOM 5986 OG1 THR B 94 173.936 232.320 219.638 1.00 0.00 -0.389 OA +ATOM 5987 HG1 THR B 94 174.468 231.770 219.291 1.00 0.00 0.211 HD +ATOM 5988 H THR B 94 174.603 231.641 217.203 1.00 0.00 0.164 HD +ATOM 5989 C HIS B 95 175.649 236.006 215.165 1.00 0.00 0.242 C +ATOM 5990 O HIS B 95 175.344 235.178 214.309 1.00 0.00 -0.272 OA +ATOM 5991 CA HIS B 95 175.393 235.725 216.641 1.00 0.00 0.177 C +ATOM 5992 N HIS B 95 174.778 234.408 216.794 1.00 0.00 -0.343 N +ATOM 5993 CB HIS B 95 176.702 235.816 217.429 1.00 0.00 0.090 C +ATOM 5994 CG HIS B 95 176.519 235.820 218.915 1.00 0.00 0.037 A +ATOM 5995 ND1 HIS B 95 176.052 234.728 219.614 1.00 0.00 -0.347 N +ATOM 5996 CD2 HIS B 95 176.747 236.786 219.836 1.00 0.00 0.134 A +ATOM 5997 HD1 HIS B 95 175.829 233.973 219.266 1.00 0.00 0.167 HD +ATOM 5998 CE1 HIS B 95 175.997 235.022 220.901 1.00 0.00 0.196 A +ATOM 5999 NE2 HIS B 95 176.413 236.264 221.063 1.00 0.00 -0.245 NA +ATOM 6000 H HIS B 95 175.212 233.776 216.405 1.00 0.00 0.164 HD +ATOM 6001 C PHE B 96 175.396 237.517 212.567 1.00 0.00 0.243 C +ATOM 6002 O PHE B 96 175.423 236.869 211.520 1.00 0.00 -0.272 OA +ATOM 6003 CA PHE B 96 176.593 237.539 213.516 1.00 0.00 0.175 C +ATOM 6004 N PHE B 96 176.202 237.179 214.876 1.00 0.00 -0.343 N +ATOM 6005 CB PHE B 96 177.690 236.595 213.023 1.00 0.00 0.070 C +ATOM 6006 CG PHE B 96 178.756 236.333 214.047 1.00 0.00 -0.045 A +ATOM 6007 CD1 PHE B 96 179.577 237.356 214.487 1.00 0.00 0.004 A +ATOM 6008 CD2 PHE B 96 178.931 235.067 214.576 1.00 0.00 0.004 A +ATOM 6009 CE1 PHE B 96 180.554 237.119 215.432 1.00 0.00 0.000 A +ATOM 6010 CE2 PHE B 96 179.909 234.826 215.522 1.00 0.00 0.000 A +ATOM 6011 CZ PHE B 96 180.720 235.853 215.949 1.00 0.00 0.000 A +ATOM 6012 H PHE B 96 176.364 237.791 215.457 1.00 0.00 0.164 HD +ATOM 6013 C LYS B 97 173.310 238.712 210.746 1.00 0.00 0.242 C +ATOM 6014 O LYS B 97 172.723 238.134 209.831 1.00 0.00 -0.273 OA +ATOM 6015 CA LYS B 97 173.102 238.287 212.199 1.00 0.00 0.171 C +ATOM 6016 N LYS B 97 174.350 238.239 212.951 1.00 0.00 -0.344 N +ATOM 6017 CB LYS B 97 172.131 239.252 212.877 1.00 0.00 0.035 C +ATOM 6018 CG LYS B 97 170.666 238.880 212.749 1.00 0.00 0.008 C +ATOM 6019 CD LYS B 97 169.770 240.109 212.810 1.00 0.00 0.061 C +ATOM 6020 CE LYS B 97 170.100 241.028 213.990 1.00 0.00 0.258 C +ATOM 6021 NZ LYS B 97 169.354 242.309 213.905 1.00 0.00 -0.357 N +ATOM 6022 HZ1 LYS B 97 169.560 242.827 214.599 1.00 0.00 0.345 HD +ATOM 6023 HZ2 LYS B 97 169.566 242.735 213.153 1.00 0.00 0.345 HD +ATOM 6024 HZ3 LYS B 97 168.478 242.152 213.912 1.00 0.00 0.345 HD +ATOM 6025 H LYS B 97 174.339 238.722 213.663 1.00 0.00 0.164 HD +ATOM 6026 C GLY B 98 174.999 239.219 208.294 1.00 0.00 0.239 C +ATOM 6027 O GLY B 98 174.685 239.165 207.105 1.00 0.00 -0.273 OA +ATOM 6028 CA GLY B 98 174.394 240.259 209.214 1.00 0.00 0.216 C +ATOM 6029 N GLY B 98 174.138 239.733 210.544 1.00 0.00 -0.346 N +ATOM 6030 H GLY B 98 174.566 240.140 211.169 1.00 0.00 0.164 HD +ATOM 6031 C PHE B 99 175.475 236.273 207.666 1.00 0.00 0.243 C +ATOM 6032 O PHE B 99 175.488 235.815 206.524 1.00 0.00 -0.272 OA +ATOM 6033 CA PHE B 99 176.505 237.313 208.102 1.00 0.00 0.175 C +ATOM 6034 N PHE B 99 175.874 238.390 208.852 1.00 0.00 -0.343 N +ATOM 6035 CB PHE B 99 177.604 236.662 208.947 1.00 0.00 0.070 C +ATOM 6036 CG PHE B 99 178.056 235.324 208.439 1.00 0.00 -0.045 A +ATOM 6037 CD1 PHE B 99 178.858 235.227 207.316 1.00 0.00 0.004 A +ATOM 6038 CD2 PHE B 99 177.692 234.164 209.098 1.00 0.00 0.004 A +ATOM 6039 CE1 PHE B 99 179.277 233.995 206.854 1.00 0.00 0.000 A +ATOM 6040 CE2 PHE B 99 178.109 232.931 208.640 1.00 0.00 0.000 A +ATOM 6041 CZ PHE B 99 178.903 232.848 207.517 1.00 0.00 0.000 A +ATOM 6042 H PHE B 99 176.121 238.431 209.675 1.00 0.00 0.164 HD +ATOM 6043 C TRP B 100 172.511 235.422 207.298 1.00 0.00 0.242 C +ATOM 6044 O TRP B 100 171.946 234.645 206.532 1.00 0.00 -0.272 OA +ATOM 6045 CA TRP B 100 173.563 234.907 208.277 1.00 0.00 0.175 C +ATOM 6046 N TRP B 100 174.574 235.915 208.573 1.00 0.00 -0.343 N +ATOM 6047 CB TRP B 100 172.894 234.433 209.567 1.00 0.00 0.072 C +ATOM 6048 CG TRP B 100 173.805 233.607 210.422 1.00 0.00 -0.020 A +ATOM 6049 CD1 TRP B 100 174.282 233.925 211.658 1.00 0.00 0.087 A +ATOM 6050 CD2 TRP B 100 174.363 232.331 210.093 1.00 0.00 0.003 A +ATOM 6051 NE1 TRP B 100 175.096 232.922 212.124 1.00 0.00 -0.359 N +ATOM 6052 CE2 TRP B 100 175.162 231.931 211.180 1.00 0.00 0.046 A +ATOM 6053 CE3 TRP B 100 174.260 231.485 208.985 1.00 0.00 0.010 A +ATOM 6054 HE1 TRP B 100 175.499 232.917 212.883 1.00 0.00 0.166 HD +ATOM 6055 CZ2 TRP B 100 175.856 230.722 211.193 1.00 0.00 0.026 A +ATOM 6056 CZ3 TRP B 100 174.947 230.285 209.000 1.00 0.00 0.001 A +ATOM 6057 CH2 TRP B 100 175.735 229.916 210.095 1.00 0.00 0.002 A +ATOM 6058 H TRP B 100 174.526 236.240 209.368 1.00 0.00 0.164 HD +ATOM 6059 C ASN B 101 171.839 237.094 204.929 1.00 0.00 0.242 C +ATOM 6060 O ASN B 101 171.040 236.910 204.011 1.00 0.00 -0.273 OA +ATOM 6061 CA ASN B 101 171.351 237.337 206.349 1.00 0.00 0.180 C +ATOM 6062 N ASN B 101 172.253 236.726 207.320 1.00 0.00 -0.342 N +ATOM 6063 CB ASN B 101 171.215 238.840 206.599 1.00 0.00 0.134 C +ATOM 6064 CG ASN B 101 170.279 239.163 207.752 1.00 0.00 0.220 C +ATOM 6065 OD1 ASN B 101 169.324 238.432 208.018 1.00 0.00 -0.275 OA +ATOM 6066 ND2 ASN B 101 170.546 240.270 208.436 1.00 0.00 -0.368 N +ATOM 6067 HD22 ASN B 101 170.046 240.497 209.098 1.00 0.00 0.159 HD +ATOM 6068 HD21 ASN B 101 171.219 240.759 208.218 1.00 0.00 0.159 HD +ATOM 6069 H ASN B 101 172.588 237.280 207.887 1.00 0.00 0.164 HD +ATOM 6070 C VAL B 102 173.691 235.346 203.130 1.00 0.00 0.243 C +ATOM 6071 O VAL B 102 173.224 234.965 202.058 1.00 0.00 -0.272 OA +ATOM 6072 CA VAL B 102 173.755 236.833 203.453 1.00 0.00 0.173 C +ATOM 6073 N VAL B 102 173.156 237.091 204.756 1.00 0.00 -0.343 N +ATOM 6074 CB VAL B 102 175.217 237.318 203.397 1.00 0.00 0.015 C +ATOM 6075 CG1 VAL B 102 175.886 236.894 202.088 1.00 0.00 0.010 C +ATOM 6076 CG2 VAL B 102 175.271 238.829 203.556 1.00 0.00 0.010 C +ATOM 6077 H VAL B 102 173.728 237.236 205.381 1.00 0.00 0.164 HD +ATOM 6078 C VAL B 103 172.690 232.619 203.571 1.00 0.00 0.243 C +ATOM 6079 O VAL B 103 172.479 231.793 202.684 1.00 0.00 -0.272 OA +ATOM 6080 CA VAL B 103 174.110 233.065 203.897 1.00 0.00 0.173 C +ATOM 6081 N VAL B 103 174.167 234.517 204.055 1.00 0.00 -0.343 N +ATOM 6082 CB VAL B 103 174.589 232.331 205.172 1.00 0.00 0.015 C +ATOM 6083 CG1 VAL B 103 174.372 230.819 205.052 1.00 0.00 0.010 C +ATOM 6084 CG2 VAL B 103 176.051 232.632 205.439 1.00 0.00 0.010 C +ATOM 6085 H VAL B 103 174.532 234.772 204.790 1.00 0.00 0.164 HD +ATOM 6086 C ASN B 104 169.813 233.064 202.714 1.00 0.00 0.242 C +ATOM 6087 O ASN B 104 168.911 232.375 202.241 1.00 0.00 -0.273 OA +ATOM 6088 CA ASN B 104 170.324 232.805 204.127 1.00 0.00 0.180 C +ATOM 6089 N ASN B 104 171.725 233.174 204.295 1.00 0.00 -0.342 N +ATOM 6090 CB ASN B 104 169.452 233.562 205.133 1.00 0.00 0.134 C +ATOM 6091 CG ASN B 104 169.553 232.996 206.538 1.00 0.00 0.220 C +ATOM 6092 OD1 ASN B 104 169.951 231.848 206.731 1.00 0.00 -0.275 OA +ATOM 6093 ND2 ASN B 104 169.189 233.803 207.527 1.00 0.00 -0.368 N +ATOM 6094 HD22 ASN B 104 169.228 233.529 208.342 1.00 0.00 0.159 HD +ATOM 6095 HD21 ASN B 104 168.914 234.599 207.354 1.00 0.00 0.159 HD +ATOM 6096 H ASN B 104 171.857 233.774 204.897 1.00 0.00 0.164 HD +ATOM 6097 C ASN B 105 170.843 233.825 199.608 1.00 0.00 0.242 C +ATOM 6098 O ASN B 105 170.697 234.159 198.434 1.00 0.00 -0.273 OA +ATOM 6099 CA ASN B 105 169.969 234.435 200.701 1.00 0.00 0.180 C +ATOM 6100 N ASN B 105 170.396 234.054 202.045 1.00 0.00 -0.342 N +ATOM 6101 CB ASN B 105 169.954 235.958 200.568 1.00 0.00 0.134 C +ATOM 6102 CG ASN B 105 168.797 236.596 201.308 1.00 0.00 0.220 C +ATOM 6103 OD1 ASN B 105 167.697 236.047 201.354 1.00 0.00 -0.275 OA +ATOM 6104 ND2 ASN B 105 169.038 237.760 201.893 1.00 0.00 -0.368 N +ATOM 6105 HD22 ASN B 105 168.413 238.162 202.326 1.00 0.00 0.159 HD +ATOM 6106 HD21 ASN B 105 169.820 238.114 201.841 1.00 0.00 0.159 HD +ATOM 6107 H ASN B 105 171.048 234.526 202.350 1.00 0.00 0.164 HD +ATOM 6108 C ILE B 105A 172.032 230.705 199.125 1.00 0.00 0.243 C +ATOM 6109 O ILE B 105A 172.491 229.935 199.963 1.00 0.00 -0.272 OA +ATOM 6110 CA ILE B 105A 172.535 232.148 199.057 1.00 0.00 0.174 C +ATOM 6111 N ILE B 105A 171.748 232.934 200.002 1.00 0.00 -0.343 N +ATOM 6112 CB ILE B 105A 174.039 232.203 199.368 1.00 0.00 0.018 C +ATOM 6113 CG2 ILE B 105A 174.818 231.347 198.373 1.00 0.00 0.010 C +ATOM 6114 CG1 ILE B 105A 174.533 233.650 199.310 1.00 0.00 0.002 C +ATOM 6115 CD1 ILE B 105A 175.949 233.848 199.814 1.00 0.00 0.004 C +ATOM 6116 H ILE B 105A 171.929 232.765 200.825 1.00 0.00 0.164 HD +ATOM 6117 C PRO B 106 171.384 227.863 198.396 1.00 0.00 0.243 C +ATOM 6118 O PRO B 106 171.188 226.930 199.174 1.00 0.00 -0.271 OA +ATOM 6119 CA PRO B 106 170.408 229.032 198.344 1.00 0.00 0.175 C +ATOM 6120 N PRO B 106 171.076 230.339 198.250 1.00 0.00 -0.329 N +ATOM 6121 CB PRO B 106 169.568 228.974 197.064 1.00 0.00 0.037 C +ATOM 6122 CG PRO B 106 169.372 230.387 196.670 1.00 0.00 0.024 C +ATOM 6123 CD PRO B 106 170.612 231.102 197.077 1.00 0.00 0.121 C +ATOM 6124 C PHE B 107 174.045 226.613 198.884 1.00 0.00 0.243 C +ATOM 6125 O PHE B 107 174.226 225.466 199.289 1.00 0.00 -0.272 OA +ATOM 6126 CA PHE B 107 173.419 226.864 197.518 1.00 0.00 0.175 C +ATOM 6127 N PHE B 107 172.423 227.923 197.572 1.00 0.00 -0.343 N +ATOM 6128 CB PHE B 107 174.506 227.211 196.503 1.00 0.00 0.070 C +ATOM 6129 CG PHE B 107 175.725 226.347 196.609 1.00 0.00 -0.045 A +ATOM 6130 CD1 PHE B 107 175.741 225.079 196.054 1.00 0.00 0.004 A +ATOM 6131 CD2 PHE B 107 176.855 226.800 197.268 1.00 0.00 0.004 A +ATOM 6132 CE1 PHE B 107 176.862 224.279 196.154 1.00 0.00 0.000 A +ATOM 6133 CE2 PHE B 107 177.979 226.006 197.371 1.00 0.00 0.000 A +ATOM 6134 CZ PHE B 107 177.982 224.744 196.813 1.00 0.00 0.000 A +ATOM 6135 H PHE B 107 172.574 228.574 197.031 1.00 0.00 0.164 HD +ATOM 6136 C LEU B 108 173.963 227.148 201.954 1.00 0.00 0.243 C +ATOM 6137 O LEU B 108 174.210 226.219 202.723 1.00 0.00 -0.272 OA +ATOM 6138 CA LEU B 108 174.979 227.588 200.913 1.00 0.00 0.172 C +ATOM 6139 N LEU B 108 174.378 227.691 199.587 1.00 0.00 -0.345 N +ATOM 6140 CB LEU B 108 175.590 228.925 201.331 1.00 0.00 0.038 C +ATOM 6141 CG LEU B 108 177.054 229.158 200.961 1.00 0.00 -0.015 C +ATOM 6142 CD1 LEU B 108 177.442 230.589 201.285 1.00 0.00 0.007 C +ATOM 6143 CD2 LEU B 108 177.962 228.179 201.696 1.00 0.00 0.007 C +ATOM 6144 H LEU B 108 174.265 228.499 199.316 1.00 0.00 0.165 HD +ATOM 6145 C ARG B 109 171.367 226.064 202.874 1.00 0.00 0.242 C +ATOM 6146 O ARG B 109 171.214 225.413 203.906 1.00 0.00 -0.273 OA +ATOM 6147 CA ARG B 109 171.768 227.537 202.931 1.00 0.00 0.171 C +ATOM 6148 N ARG B 109 172.827 227.834 201.980 1.00 0.00 -0.344 N +ATOM 6149 CB ARG B 109 170.555 228.420 202.654 1.00 0.00 0.038 C +ATOM 6150 CG ARG B 109 169.473 228.335 203.710 1.00 0.00 0.040 C +ATOM 6151 CD ARG B 109 168.116 228.532 203.091 1.00 0.00 0.197 C +ATOM 6152 NE ARG B 109 167.043 228.440 204.073 1.00 0.00 -0.278 N +ATOM 6153 HE ARG B 109 167.251 228.219 204.877 1.00 0.00 0.260 HD +ATOM 6154 CZ ARG B 109 165.754 228.560 203.775 1.00 0.00 0.339 C +ATOM 6155 NH1 ARG B 109 164.840 228.462 204.729 1.00 0.00 -0.290 N +ATOM 6156 NH2 ARG B 109 165.380 228.777 202.520 1.00 0.00 -0.290 N +ATOM 6157 HH12 ARG B 109 165.081 228.322 205.543 1.00 0.00 0.256 HD +ATOM 6158 HH11 ARG B 109 164.006 228.540 204.536 1.00 0.00 0.256 HD +ATOM 6159 HH22 ARG B 109 165.972 228.840 201.900 1.00 0.00 0.256 HD +ATOM 6160 HH21 ARG B 109 164.545 228.854 202.328 1.00 0.00 0.256 HD +ATOM 6161 H ARG B 109 172.644 228.484 201.448 1.00 0.00 0.164 HD +ATOM 6162 C ASN B 110 171.919 223.200 201.988 1.00 0.00 0.242 C +ATOM 6163 O ASN B 110 171.615 222.178 202.604 1.00 0.00 -0.273 OA +ATOM 6164 CA ASN B 110 170.843 224.149 201.467 1.00 0.00 0.180 C +ATOM 6165 N ASN B 110 171.204 225.546 201.662 1.00 0.00 -0.342 N +ATOM 6166 CB ASN B 110 170.583 223.871 199.985 1.00 0.00 0.134 C +ATOM 6167 CG ASN B 110 169.353 224.585 199.465 1.00 0.00 0.220 C +ATOM 6168 OD1 ASN B 110 168.416 224.863 200.214 1.00 0.00 -0.275 OA +ATOM 6169 ND2 ASN B 110 169.347 224.882 198.172 1.00 0.00 -0.368 N +ATOM 6170 HD22 ASN B 110 168.671 225.287 197.827 1.00 0.00 0.159 HD +ATOM 6171 HD21 ASN B 110 170.018 224.669 197.678 1.00 0.00 0.159 HD +ATOM 6172 H ASN B 110 171.298 225.988 200.930 1.00 0.00 0.164 HD +ATOM 6173 C ALA B 111 174.368 222.653 203.685 1.00 0.00 0.243 C +ATOM 6174 O ALA B 111 174.631 221.600 204.262 1.00 0.00 -0.272 OA +ATOM 6175 CA ALA B 111 174.294 222.714 202.164 1.00 0.00 0.168 C +ATOM 6176 N ALA B 111 173.177 223.545 201.736 1.00 0.00 -0.344 N +ATOM 6177 CB ALA B 111 175.597 223.243 201.589 1.00 0.00 0.041 C +ATOM 6178 H ALA B 111 173.411 224.259 201.318 1.00 0.00 0.164 HD +ATOM 6179 C ILE B 112 172.989 223.080 206.377 1.00 0.00 0.243 C +ATOM 6180 O ILE B 112 173.182 222.272 207.286 1.00 0.00 -0.272 OA +ATOM 6181 CA ILE B 112 174.149 223.868 205.783 1.00 0.00 0.174 C +ATOM 6182 N ILE B 112 174.132 223.791 204.329 1.00 0.00 -0.343 N +ATOM 6183 CB ILE B 112 174.086 225.329 206.266 1.00 0.00 0.018 C +ATOM 6184 CG2 ILE B 112 173.891 225.397 207.784 1.00 0.00 0.010 C +ATOM 6185 CG1 ILE B 112 175.368 226.065 205.865 1.00 0.00 0.002 C +ATOM 6186 CD1 ILE B 112 175.318 227.561 206.083 1.00 0.00 0.004 C +ATOM 6187 H ILE B 112 173.958 224.539 203.942 1.00 0.00 0.164 HD +ATOM 6188 C MET B 113 170.759 221.126 206.157 1.00 0.00 0.242 C +ATOM 6189 O MET B 113 170.417 220.333 207.029 1.00 0.00 -0.272 OA +ATOM 6190 CA MET B 113 170.605 222.626 206.361 1.00 0.00 0.172 C +ATOM 6191 N MET B 113 171.785 223.322 205.869 1.00 0.00 -0.344 N +ATOM 6192 CB MET B 113 169.342 223.122 205.657 1.00 0.00 0.046 C +ATOM 6193 CG MET B 113 168.060 222.536 206.229 1.00 0.00 0.072 C +ATOM 6194 SD MET B 113 167.756 223.103 207.911 1.00 0.00 -0.165 SA +ATOM 6195 CE MET B 113 166.810 221.733 208.573 1.00 0.00 0.085 C +ATOM 6196 H MET B 113 171.626 223.885 205.238 1.00 0.00 0.164 HD +ATOM 6197 C SER B 114 172.489 218.730 205.706 1.00 0.00 0.244 C +ATOM 6198 O SER B 114 172.315 217.588 206.131 1.00 0.00 -0.272 OA +ATOM 6199 CA SER B 114 171.521 219.342 204.697 1.00 0.00 0.197 C +ATOM 6200 N SER B 114 171.276 220.744 204.997 1.00 0.00 -0.342 N +ATOM 6201 CB SER B 114 172.070 219.188 203.282 1.00 0.00 0.191 C +ATOM 6202 OG SER B 114 172.424 217.843 203.024 1.00 0.00 -0.392 OA +ATOM 6203 HG SER B 114 172.725 217.770 202.243 1.00 0.00 0.210 HD +ATOM 6204 H SER B 114 171.496 221.282 204.362 1.00 0.00 0.164 HD +ATOM 6205 C TYR B 115 173.854 218.881 208.447 1.00 0.00 0.243 C +ATOM 6206 O TYR B 115 174.136 217.923 209.166 1.00 0.00 -0.272 OA +ATOM 6207 CA TYR B 115 174.475 219.020 207.065 1.00 0.00 0.175 C +ATOM 6208 N TYR B 115 173.502 219.497 206.093 1.00 0.00 -0.343 N +ATOM 6209 CB TYR B 115 175.680 219.956 207.147 1.00 0.00 0.070 C +ATOM 6210 CG TYR B 115 176.586 219.599 208.297 1.00 0.00 -0.045 A +ATOM 6211 CD1 TYR B 115 177.459 218.525 208.204 1.00 0.00 0.007 A +ATOM 6212 CD2 TYR B 115 176.548 220.314 209.486 1.00 0.00 0.007 A +ATOM 6213 CE1 TYR B 115 178.280 218.181 209.257 1.00 0.00 0.046 A +ATOM 6214 CE2 TYR B 115 177.367 219.978 210.545 1.00 0.00 0.046 A +ATOM 6215 CZ TYR B 115 178.230 218.911 210.425 1.00 0.00 0.115 A +ATOM 6216 OH TYR B 115 179.050 218.570 211.477 1.00 0.00 -0.507 OA +ATOM 6217 HH TYR B 115 178.920 219.091 212.123 1.00 0.00 0.294 HD +ATOM 6218 H TYR B 115 173.647 220.295 205.808 1.00 0.00 0.164 HD +ATOM 6219 C VAL B 116 171.508 218.525 210.213 1.00 0.00 0.243 C +ATOM 6220 O VAL B 116 171.505 217.874 211.256 1.00 0.00 -0.272 OA +ATOM 6221 CA VAL B 116 172.323 219.806 210.098 1.00 0.00 0.173 C +ATOM 6222 N VAL B 116 173.028 219.850 208.823 1.00 0.00 -0.343 N +ATOM 6223 CB VAL B 116 171.397 221.031 210.271 1.00 0.00 0.015 C +ATOM 6224 CG1 VAL B 116 170.372 220.809 211.390 1.00 0.00 0.010 C +ATOM 6225 CG2 VAL B 116 172.223 222.278 210.546 1.00 0.00 0.010 C +ATOM 6226 H VAL B 116 172.857 220.550 208.353 1.00 0.00 0.164 HD +ATOM 6227 C LEU B 117 170.710 215.688 209.273 1.00 0.00 0.243 C +ATOM 6228 O LEU B 117 170.365 214.848 210.099 1.00 0.00 -0.272 OA +ATOM 6229 CA LEU B 117 169.942 217.002 209.143 1.00 0.00 0.172 C +ATOM 6230 N LEU B 117 170.822 218.163 209.135 1.00 0.00 -0.345 N +ATOM 6231 CB LEU B 117 169.088 216.977 207.874 1.00 0.00 0.038 C +ATOM 6232 CG LEU B 117 168.081 218.122 207.729 1.00 0.00 -0.015 C +ATOM 6233 CD1 LEU B 117 167.444 218.081 206.352 1.00 0.00 0.007 C +ATOM 6234 CD2 LEU B 117 167.020 218.067 208.821 1.00 0.00 0.007 C +ATOM 6235 H LEU B 117 170.849 218.577 208.381 1.00 0.00 0.165 HD +ATOM 6236 C THR B 118 173.361 214.065 209.676 1.00 0.00 0.245 C +ATOM 6237 O THR B 118 173.473 212.955 210.195 1.00 0.00 -0.273 OA +ATOM 6238 CA THR B 118 172.482 214.253 208.440 1.00 0.00 0.199 C +ATOM 6239 N THR B 118 171.746 215.513 208.463 1.00 0.00 -0.341 N +ATOM 6240 CB THR B 118 173.367 214.144 207.189 1.00 0.00 0.143 C +ATOM 6241 CG2 THR B 118 172.511 213.996 205.939 1.00 0.00 0.041 C +ATOM 6242 OG1 THR B 118 174.183 215.315 207.074 1.00 0.00 -0.389 OA +ATOM 6243 HG1 THR B 118 174.669 215.261 206.391 1.00 0.00 0.211 HD +ATOM 6244 H THR B 118 172.045 216.106 207.916 1.00 0.00 0.164 HD +ATOM 6245 C SER B 119 174.109 214.690 212.569 1.00 0.00 0.244 C +ATOM 6246 O SER B 119 174.540 213.828 213.334 1.00 0.00 -0.272 OA +ATOM 6247 CA SER B 119 174.875 215.057 211.297 1.00 0.00 0.197 C +ATOM 6248 N SER B 119 173.979 215.144 210.148 1.00 0.00 -0.342 N +ATOM 6249 CB SER B 119 175.634 216.374 211.493 1.00 0.00 0.191 C +ATOM 6250 OG SER B 119 174.793 217.403 211.985 1.00 0.00 -0.392 OA +ATOM 6251 HG SER B 119 174.166 217.544 211.444 1.00 0.00 0.210 HD +ATOM 6252 H SER B 119 173.897 215.935 209.823 1.00 0.00 0.164 HD +ATOM 6253 C ARG B 120 171.513 213.678 213.876 1.00 0.00 0.242 C +ATOM 6254 O ARG B 120 171.410 212.959 214.867 1.00 0.00 -0.273 OA +ATOM 6255 CA ARG B 120 172.160 215.058 213.974 1.00 0.00 0.171 C +ATOM 6256 N ARG B 120 172.970 215.337 212.792 1.00 0.00 -0.344 N +ATOM 6257 CB ARG B 120 171.083 216.127 214.156 1.00 0.00 0.038 C +ATOM 6258 CG ARG B 120 171.610 217.553 214.268 1.00 0.00 0.040 C +ATOM 6259 CD ARG B 120 171.855 217.973 215.708 1.00 0.00 0.197 C +ATOM 6260 NE ARG B 120 171.892 219.427 215.846 1.00 0.00 -0.278 N +ATOM 6261 HE ARG B 120 171.770 219.900 215.138 1.00 0.00 0.260 HD +ATOM 6262 CZ ARG B 120 172.103 220.069 216.990 1.00 0.00 0.339 C +ATOM 6263 NH1 ARG B 120 172.303 219.391 218.111 1.00 0.00 -0.290 N +ATOM 6264 NH2 ARG B 120 172.116 221.393 217.016 1.00 0.00 -0.290 N +ATOM 6265 HH12 ARG B 120 172.296 218.531 218.101 1.00 0.00 0.256 HD +ATOM 6266 HH11 ARG B 120 172.440 219.811 218.849 1.00 0.00 0.256 HD +ATOM 6267 HH22 ARG B 120 171.987 221.838 216.291 1.00 0.00 0.256 HD +ATOM 6268 HH21 ARG B 120 172.254 221.808 217.756 1.00 0.00 0.256 HD +ATOM 6269 H ARG B 120 172.644 215.941 212.274 1.00 0.00 0.164 HD +ATOM 6270 C SER B 121 171.289 210.830 212.749 1.00 0.00 0.244 C +ATOM 6271 O SER B 121 170.791 209.783 213.154 1.00 0.00 -0.272 OA +ATOM 6272 CA SER B 121 170.404 212.039 212.457 1.00 0.00 0.197 C +ATOM 6273 N SER B 121 171.088 213.309 212.673 1.00 0.00 -0.342 N +ATOM 6274 CB SER B 121 169.889 211.956 211.020 1.00 0.00 0.191 C +ATOM 6275 OG SER B 121 168.797 212.838 210.819 1.00 0.00 -0.392 OA +ATOM 6276 HG SER B 121 169.035 213.629 210.970 1.00 0.00 0.210 HD +ATOM 6277 H SER B 121 171.184 213.780 211.960 1.00 0.00 0.164 HD +ATOM 6278 C HIS B 122 173.559 209.433 214.224 1.00 0.00 0.242 C +ATOM 6279 O HIS B 122 174.060 208.355 214.537 1.00 0.00 -0.272 OA +ATOM 6280 CA HIS B 122 173.537 209.881 212.765 1.00 0.00 0.177 C +ATOM 6281 N HIS B 122 172.595 210.975 212.535 1.00 0.00 -0.343 N +ATOM 6282 CB HIS B 122 174.951 210.290 212.345 1.00 0.00 0.093 C +ATOM 6283 CG HIS B 122 175.157 210.345 210.863 1.00 0.00 0.061 A +ATOM 6284 ND1 HIS B 122 176.262 210.934 210.289 1.00 0.00 -0.242 NA +ATOM 6285 CD2 HIS B 122 174.405 209.880 209.838 1.00 0.00 0.107 A +ATOM 6286 CE1 HIS B 122 176.180 210.834 208.974 1.00 0.00 0.196 A +ATOM 6287 NE2 HIS B 122 175.062 210.198 208.674 1.00 0.00 -0.350 N +ATOM 6288 HE2 HIS B 122 174.790 210.013 207.880 1.00 0.00 0.167 HD +ATOM 6289 H HIS B 122 172.963 211.700 212.255 1.00 0.00 0.164 HD +ATOM 6290 C LEU B 123 171.913 209.027 216.943 1.00 0.00 0.243 C +ATOM 6291 O LEU B 123 171.886 208.529 218.065 1.00 0.00 -0.272 OA +ATOM 6292 CA LEU B 123 173.038 209.969 216.541 1.00 0.00 0.172 C +ATOM 6293 N LEU B 123 173.027 210.265 215.112 1.00 0.00 -0.345 N +ATOM 6294 CB LEU B 123 172.939 211.264 217.347 1.00 0.00 0.038 C +ATOM 6295 CG LEU B 123 174.202 212.124 217.376 1.00 0.00 -0.015 C +ATOM 6296 CD1 LEU B 123 173.903 213.481 217.991 1.00 0.00 0.007 C +ATOM 6297 CD2 LEU B 123 175.299 211.419 218.147 1.00 0.00 0.007 C +ATOM 6298 H LEU B 123 172.650 211.012 214.911 1.00 0.00 0.165 HD +ATOM 6299 C ILE B 124 170.006 206.604 215.535 1.00 0.00 0.243 C +ATOM 6300 O ILE B 124 170.291 206.587 214.340 1.00 0.00 -0.272 OA +ATOM 6301 CA ILE B 124 169.847 207.920 216.278 1.00 0.00 0.174 C +ATOM 6302 N ILE B 124 170.987 208.788 216.023 1.00 0.00 -0.343 N +ATOM 6303 CB ILE B 124 168.530 208.590 215.852 1.00 0.00 0.018 C +ATOM 6304 CG2 ILE B 124 167.330 207.701 216.195 1.00 0.00 0.010 C +ATOM 6305 CG1 ILE B 124 168.401 209.970 216.506 1.00 0.00 0.002 C +ATOM 6306 CD1 ILE B 124 168.436 209.948 218.019 1.00 0.00 0.004 C +ATOM 6307 H ILE B 124 170.998 209.122 215.230 1.00 0.00 0.164 HD +ATOM 6308 C ASP B 125 168.497 203.942 214.933 1.00 0.00 0.242 C +ATOM 6309 O ASP B 125 167.442 204.016 215.560 1.00 0.00 -0.273 OA +ATOM 6310 CA ASP B 125 169.835 204.185 215.621 1.00 0.00 0.176 C +ATOM 6311 N ASP B 125 169.831 205.497 216.250 1.00 0.00 -0.343 N +ATOM 6312 CB ASP B 125 170.121 203.085 216.647 1.00 0.00 0.087 C +ATOM 6313 CG ASP B 125 171.587 203.021 217.040 1.00 0.00 0.044 C +ATOM 6314 OD1 ASP B 125 172.438 203.482 216.248 1.00 0.00 -0.548 OA +ATOM 6315 OD2 ASP B 125 171.889 202.505 218.135 1.00 0.00 -0.549 OA +ATOM 6316 H ASP B 125 169.708 205.481 217.101 1.00 0.00 0.164 HD +ATOM 6317 C SER B 126 167.636 202.422 211.742 1.00 0.00 0.244 C +ATOM 6318 O SER B 126 168.495 202.636 210.893 1.00 0.00 -0.272 OA +ATOM 6319 CA SER B 126 167.368 203.463 212.829 1.00 0.00 0.197 C +ATOM 6320 N SER B 126 168.559 203.644 213.642 1.00 0.00 -0.342 N +ATOM 6321 CB SER B 126 166.946 204.795 212.206 1.00 0.00 0.191 C +ATOM 6322 OG SER B 126 165.744 204.664 211.465 1.00 0.00 -0.392 OA +ATOM 6323 HG SER B 126 165.124 204.401 211.968 1.00 0.00 0.210 HD +ATOM 6324 H SER B 126 169.294 203.539 213.207 1.00 0.00 0.164 HD +ATOM 6325 C PRO B 127 166.304 200.797 214.143 1.00 0.00 0.243 C +ATOM 6326 O PRO B 127 167.496 200.645 214.417 1.00 0.00 -0.271 OA +ATOM 6327 CA PRO B 127 165.852 200.868 212.682 1.00 0.00 0.175 C +ATOM 6328 N PRO B 127 166.914 201.288 211.756 1.00 0.00 -0.329 N +ATOM 6329 CB PRO B 127 165.459 199.477 212.163 1.00 0.00 0.037 C +ATOM 6330 CG PRO B 127 166.549 199.066 211.244 1.00 0.00 0.024 C +ATOM 6331 CD PRO B 127 167.092 200.316 210.665 1.00 0.00 0.121 C +ATOM 6332 C PRO B 128 166.161 199.798 217.152 1.00 0.00 0.243 C +ATOM 6333 O PRO B 128 166.137 198.733 216.537 1.00 0.00 -0.271 OA +ATOM 6334 CA PRO B 128 165.607 201.061 216.506 1.00 0.00 0.175 C +ATOM 6335 N PRO B 128 165.345 200.905 215.074 1.00 0.00 -0.329 N +ATOM 6336 CB PRO B 128 164.231 201.400 217.067 1.00 0.00 0.037 C +ATOM 6337 CG PRO B 128 163.295 200.692 216.171 1.00 0.00 0.024 C +ATOM 6338 CD PRO B 128 163.905 200.745 214.802 1.00 0.00 0.121 C +ATOM 6339 C THR B 129 166.642 198.444 220.391 1.00 0.00 0.245 C +ATOM 6340 O THR B 129 165.781 197.572 220.417 1.00 0.00 -0.273 OA +ATOM 6341 CA THR B 129 167.313 198.823 219.065 1.00 0.00 0.199 C +ATOM 6342 N THR B 129 166.634 199.922 218.388 1.00 0.00 -0.341 N +ATOM 6343 CB THR B 129 168.794 199.173 219.305 1.00 0.00 0.143 C +ATOM 6344 CG2 THR B 129 169.514 199.336 217.973 1.00 0.00 0.041 C +ATOM 6345 OG1 THR B 129 168.894 200.399 220.038 1.00 0.00 -0.389 OA +ATOM 6346 HG1 THR B 129 169.702 200.590 220.169 1.00 0.00 0.211 HD +ATOM 6347 H THR B 129 166.574 200.639 218.860 1.00 0.00 0.164 HD +ATOM 6348 C TYR B 130 165.217 199.246 223.199 1.00 0.00 0.243 C +ATOM 6349 O TYR B 130 164.752 200.230 222.630 1.00 0.00 -0.272 OA +ATOM 6350 CA TYR B 130 166.586 198.688 222.810 1.00 0.00 0.175 C +ATOM 6351 N TYR B 130 167.028 199.099 221.481 1.00 0.00 -0.343 N +ATOM 6352 CB TYR B 130 167.608 199.125 223.863 1.00 0.00 0.070 C +ATOM 6353 CG TYR B 130 169.045 198.795 223.530 1.00 0.00 -0.045 A +ATOM 6354 CD1 TYR B 130 169.518 197.492 223.610 1.00 0.00 0.007 A +ATOM 6355 CD2 TYR B 130 169.936 199.791 223.152 1.00 0.00 0.007 A +ATOM 6356 CE1 TYR B 130 170.829 197.189 223.312 1.00 0.00 0.046 A +ATOM 6357 CE2 TYR B 130 171.255 199.496 222.854 1.00 0.00 0.046 A +ATOM 6358 CZ TYR B 130 171.693 198.194 222.936 1.00 0.00 0.115 A +ATOM 6359 OH TYR B 130 172.999 197.890 222.642 1.00 0.00 -0.507 OA +ATOM 6360 HH TYR B 130 173.415 198.588 222.428 1.00 0.00 0.294 HD +ATOM 6361 H TYR B 130 167.547 199.785 221.479 1.00 0.00 0.164 HD +ATOM 6362 C ASN B 131 163.598 198.886 226.375 1.00 0.00 0.242 C +ATOM 6363 O ASN B 131 164.641 198.395 226.806 1.00 0.00 -0.273 OA +ATOM 6364 CA ASN B 131 163.454 199.191 224.885 1.00 0.00 0.180 C +ATOM 6365 N ASN B 131 164.578 198.596 224.168 1.00 0.00 -0.342 N +ATOM 6366 CB ASN B 131 162.104 198.704 224.334 1.00 0.00 0.134 C +ATOM 6367 CG ASN B 131 161.868 197.211 224.522 1.00 0.00 0.220 C +ATOM 6368 OD1 ASN B 131 162.311 196.598 225.493 1.00 0.00 -0.275 OA +ATOM 6369 ND2 ASN B 131 161.138 196.624 223.587 1.00 0.00 -0.368 N +ATOM 6370 HD22 ASN B 131 160.970 195.783 223.638 1.00 0.00 0.159 HD +ATOM 6371 HD21 ASN B 131 160.831 197.085 222.929 1.00 0.00 0.159 HD +ATOM 6372 H ASN B 131 164.779 197.803 224.431 1.00 0.00 0.164 HD +ATOM 6373 C ALA B 132 162.961 197.639 229.080 1.00 0.00 0.243 C +ATOM 6374 O ALA B 132 163.565 197.460 230.132 1.00 0.00 -0.272 OA +ATOM 6375 CA ALA B 132 162.633 199.055 228.611 1.00 0.00 0.168 C +ATOM 6376 N ALA B 132 162.561 199.176 227.155 1.00 0.00 -0.344 N +ATOM 6377 CB ALA B 132 161.323 199.510 229.240 1.00 0.00 0.041 C +ATOM 6378 H ALA B 132 161.798 199.447 226.865 1.00 0.00 0.164 HD +ATOM 6379 C ASP B 133 163.920 194.536 228.112 1.00 0.00 0.242 C +ATOM 6380 O ASP B 133 164.176 193.382 228.437 1.00 0.00 -0.273 OA +ATOM 6381 CA ASP B 133 162.708 195.247 228.716 1.00 0.00 0.176 C +ATOM 6382 N ASP B 133 162.566 196.640 228.300 1.00 0.00 -0.343 N +ATOM 6383 CB ASP B 133 161.436 194.467 228.363 1.00 0.00 0.087 C +ATOM 6384 CG ASP B 133 160.302 194.725 229.341 1.00 0.00 0.044 C +ATOM 6385 OD1 ASP B 133 160.577 195.091 230.499 1.00 0.00 -0.548 OA +ATOM 6386 OD2 ASP B 133 159.131 194.553 228.955 1.00 0.00 -0.549 OA +ATOM 6387 H ASP B 133 162.212 196.741 227.523 1.00 0.00 0.164 HD +ATOM 6388 C TYR B 134 167.034 195.498 226.517 1.00 0.00 0.243 C +ATOM 6389 O TYR B 134 167.031 196.497 225.806 1.00 0.00 -0.272 OA +ATOM 6390 CA TYR B 134 165.814 194.589 226.595 1.00 0.00 0.175 C +ATOM 6391 N TYR B 134 164.670 195.217 227.252 1.00 0.00 -0.343 N +ATOM 6392 CB TYR B 134 165.415 194.123 225.194 1.00 0.00 0.070 C +ATOM 6393 CG TYR B 134 164.403 193.005 225.229 1.00 0.00 -0.045 A +ATOM 6394 CD1 TYR B 134 164.808 191.683 225.334 1.00 0.00 0.007 A +ATOM 6395 CD2 TYR B 134 163.042 193.270 225.183 1.00 0.00 0.007 A +ATOM 6396 CE1 TYR B 134 163.889 190.659 225.375 1.00 0.00 0.046 A +ATOM 6397 CE2 TYR B 134 162.117 192.253 225.228 1.00 0.00 0.046 A +ATOM 6398 CZ TYR B 134 162.544 190.949 225.324 1.00 0.00 0.115 A +ATOM 6399 OH TYR B 134 161.618 189.936 225.371 1.00 0.00 -0.507 OA +ATOM 6400 HH TYR B 134 162.006 189.194 225.430 1.00 0.00 0.294 HD +ATOM 6401 H TYR B 134 164.540 196.038 227.031 1.00 0.00 0.164 HD +ATOM 6402 C GLY B 135 170.286 195.201 226.210 1.00 0.00 0.239 C +ATOM 6403 O GLY B 135 171.471 195.525 226.153 1.00 0.00 -0.273 OA +ATOM 6404 CA GLY B 135 169.346 195.828 227.223 1.00 0.00 0.216 C +ATOM 6405 N GLY B 135 168.074 195.131 227.262 1.00 0.00 -0.346 N +ATOM 6406 H GLY B 135 168.062 194.466 227.808 1.00 0.00 0.164 HD +ATOM 6407 C TYR B 136 169.552 193.644 223.107 1.00 0.00 0.243 C +ATOM 6408 O TYR B 136 168.333 193.646 223.263 1.00 0.00 -0.272 OA +ATOM 6409 CA TYR B 136 170.473 193.671 224.316 1.00 0.00 0.175 C +ATOM 6410 N TYR B 136 169.745 194.284 225.418 1.00 0.00 -0.343 N +ATOM 6411 CB TYR B 136 170.938 192.258 224.680 1.00 0.00 0.070 C +ATOM 6412 CG TYR B 136 169.824 191.359 225.158 1.00 0.00 -0.045 A +ATOM 6413 CD1 TYR B 136 169.471 191.311 226.499 1.00 0.00 0.007 A +ATOM 6414 CD2 TYR B 136 169.118 190.563 224.269 1.00 0.00 0.007 A +ATOM 6415 CE1 TYR B 136 168.450 190.495 226.939 1.00 0.00 0.046 A +ATOM 6416 CE2 TYR B 136 168.096 189.745 224.702 1.00 0.00 0.046 A +ATOM 6417 CZ TYR B 136 167.767 189.715 226.039 1.00 0.00 0.115 A +ATOM 6418 OH TYR B 136 166.750 188.903 226.480 1.00 0.00 -0.507 OA +ATOM 6419 HH TYR B 136 166.417 188.483 225.833 1.00 0.00 0.294 HD +ATOM 6420 H TYR B 136 168.940 193.994 225.501 1.00 0.00 0.164 HD +ATOM 6421 C LYS B 137 168.528 192.282 220.669 1.00 0.00 0.242 C +ATOM 6422 O LYS B 137 169.051 191.207 220.964 1.00 0.00 -0.273 OA +ATOM 6423 CA LYS B 137 169.330 193.574 220.694 1.00 0.00 0.171 C +ATOM 6424 N LYS B 137 170.129 193.644 221.912 1.00 0.00 -0.344 N +ATOM 6425 CB LYS B 137 170.211 193.660 219.444 1.00 0.00 0.035 C +ATOM 6426 CG LYS B 137 170.580 195.070 219.009 1.00 0.00 0.008 C +ATOM 6427 CD LYS B 137 171.790 195.586 219.746 1.00 0.00 0.061 C +ATOM 6428 CE LYS B 137 172.440 196.737 219.003 1.00 0.00 0.258 C +ATOM 6429 NZ LYS B 137 173.672 197.187 219.699 1.00 0.00 -0.357 N +ATOM 6430 HZ1 LYS B 137 174.044 197.862 219.254 1.00 0.00 0.345 HD +ATOM 6431 HZ2 LYS B 137 173.474 197.458 220.523 1.00 0.00 0.345 HD +ATOM 6432 HZ3 LYS B 137 174.256 196.516 219.748 1.00 0.00 0.345 HD +ATOM 6433 H LYS B 137 170.977 193.685 221.778 1.00 0.00 0.164 HD +ATOM 6434 C SER B 138 165.248 191.544 219.236 1.00 0.00 0.244 C +ATOM 6435 O SER B 138 164.929 192.707 218.977 1.00 0.00 -0.272 OA +ATOM 6436 CA SER B 138 166.375 191.246 220.211 1.00 0.00 0.197 C +ATOM 6437 N SER B 138 167.253 192.398 220.321 1.00 0.00 -0.342 N +ATOM 6438 CB SER B 138 165.803 190.872 221.574 1.00 0.00 0.191 C +ATOM 6439 OG SER B 138 164.994 191.915 222.075 1.00 0.00 -0.392 OA +ATOM 6440 HG SER B 138 164.682 191.702 222.825 1.00 0.00 0.210 HD +ATOM 6441 H SER B 138 166.869 193.146 220.141 1.00 0.00 0.164 HD +ATOM 6442 C TRP B 139 162.311 191.239 218.451 1.00 0.00 0.242 C +ATOM 6443 O TRP B 139 161.523 191.951 217.832 1.00 0.00 -0.272 OA +ATOM 6444 CA TRP B 139 163.550 190.678 217.762 1.00 0.00 0.175 C +ATOM 6445 N TRP B 139 164.638 190.494 218.703 1.00 0.00 -0.343 N +ATOM 6446 CB TRP B 139 163.199 189.370 217.060 1.00 0.00 0.072 C +ATOM 6447 CG TRP B 139 162.351 189.631 215.872 1.00 0.00 -0.020 A +ATOM 6448 CD1 TRP B 139 160.994 189.529 215.791 1.00 0.00 0.087 A +ATOM 6449 CD2 TRP B 139 162.797 190.089 214.595 1.00 0.00 0.003 A +ATOM 6450 NE1 TRP B 139 160.569 189.880 214.535 1.00 0.00 -0.359 N +ATOM 6451 CE2 TRP B 139 161.658 190.228 213.781 1.00 0.00 0.046 A +ATOM 6452 CE3 TRP B 139 164.052 190.388 214.059 1.00 0.00 0.010 A +ATOM 6453 HE1 TRP B 139 159.752 189.881 214.265 1.00 0.00 0.166 HD +ATOM 6454 CZ2 TRP B 139 161.736 190.652 212.460 1.00 0.00 0.026 A +ATOM 6455 CZ3 TRP B 139 164.128 190.803 212.749 1.00 0.00 0.001 A +ATOM 6456 CH2 TRP B 139 162.977 190.933 211.963 1.00 0.00 0.002 A +ATOM 6457 H TRP B 139 164.834 189.673 218.868 1.00 0.00 0.164 HD +ATOM 6458 C GLU B 140 161.154 192.968 220.608 1.00 0.00 0.242 C +ATOM 6459 O GLU B 140 160.191 193.701 220.398 1.00 0.00 -0.273 OA +ATOM 6460 CA GLU B 140 161.020 191.453 220.494 1.00 0.00 0.171 C +ATOM 6461 N GLU B 140 162.134 190.913 219.727 1.00 0.00 -0.344 N +ATOM 6462 CB GLU B 140 160.955 190.817 221.885 1.00 0.00 0.041 C +ATOM 6463 CG GLU B 140 159.771 191.268 222.736 1.00 0.00 0.055 C +ATOM 6464 CD GLU B 140 158.431 190.791 222.204 1.00 0.00 0.041 C +ATOM 6465 OE1 GLU B 140 158.391 189.772 221.484 1.00 0.00 -0.548 OA +ATOM 6466 OE2 GLU B 140 157.409 191.439 222.507 1.00 0.00 -0.549 OA +ATOM 6467 H GLU B 140 162.645 190.382 220.171 1.00 0.00 0.164 HD +ATOM 6468 C ALA B 141 162.465 195.607 219.788 1.00 0.00 0.243 C +ATOM 6469 O ALA B 141 161.992 196.743 219.768 1.00 0.00 -0.272 OA +ATOM 6470 CA ALA B 141 162.603 194.852 221.105 1.00 0.00 0.168 C +ATOM 6471 N ALA B 141 162.356 193.429 220.934 1.00 0.00 -0.344 N +ATOM 6472 CB ALA B 141 163.981 195.083 221.702 1.00 0.00 0.041 C +ATOM 6473 H ALA B 141 163.048 192.934 221.062 1.00 0.00 0.164 HD +ATOM 6474 C PHE B 142 161.307 195.603 216.863 1.00 0.00 0.243 C +ATOM 6475 O PHE B 142 160.812 196.615 216.372 1.00 0.00 -0.272 OA +ATOM 6476 CA PHE B 142 162.740 195.616 217.385 1.00 0.00 0.175 C +ATOM 6477 N PHE B 142 162.875 194.982 218.690 1.00 0.00 -0.343 N +ATOM 6478 CB PHE B 142 163.628 194.944 216.339 1.00 0.00 0.070 C +ATOM 6479 CG PHE B 142 163.149 195.168 214.939 1.00 0.00 -0.045 A +ATOM 6480 CD1 PHE B 142 163.307 196.402 214.332 1.00 0.00 0.004 A +ATOM 6481 CD2 PHE B 142 162.500 194.165 214.245 1.00 0.00 0.004 A +ATOM 6482 CE1 PHE B 142 162.844 196.623 213.053 1.00 0.00 0.000 A +ATOM 6483 CE2 PHE B 142 162.038 194.382 212.966 1.00 0.00 0.000 A +ATOM 6484 CZ PHE B 142 162.208 195.613 212.370 1.00 0.00 0.000 A +ATOM 6485 H PHE B 142 163.231 194.200 218.672 1.00 0.00 0.164 HD +ATOM 6486 C SER B 143 158.149 194.746 216.953 1.00 0.00 0.244 C +ATOM 6487 O SER B 143 157.147 195.035 216.309 1.00 0.00 -0.272 OA +ATOM 6488 CA SER B 143 159.398 194.234 216.235 1.00 0.00 0.197 C +ATOM 6489 N SER B 143 160.649 194.453 216.957 1.00 0.00 -0.342 N +ATOM 6490 CB SER B 143 159.223 192.743 215.940 1.00 0.00 0.191 C +ATOM 6491 OG SER B 143 158.925 192.018 217.118 1.00 0.00 -0.392 OA +ATOM 6492 HG SER B 143 159.549 192.105 217.674 1.00 0.00 0.210 HD +ATOM 6493 H SER B 143 160.905 193.783 217.431 1.00 0.00 0.164 HD +ATOM 6494 C ASN B 144 156.833 196.715 219.130 1.00 0.00 0.242 C +ATOM 6495 O ASN B 144 157.536 197.411 219.860 1.00 0.00 -0.273 OA +ATOM 6496 CA ASN B 144 157.024 195.201 219.061 1.00 0.00 0.180 C +ATOM 6497 N ASN B 144 158.205 194.850 218.276 1.00 0.00 -0.342 N +ATOM 6498 CB ASN B 144 157.132 194.602 220.466 1.00 0.00 0.134 C +ATOM 6499 CG ASN B 144 155.818 194.653 221.239 1.00 0.00 0.220 C +ATOM 6500 OD1 ASN B 144 154.978 195.524 221.020 1.00 0.00 -0.275 OA +ATOM 6501 ND2 ASN B 144 155.644 193.706 222.154 1.00 0.00 -0.368 N +ATOM 6502 HD22 ASN B 144 156.265 193.124 222.278 1.00 0.00 0.159 HD +ATOM 6503 HD21 ASN B 144 154.776 193.669 222.708 1.00 0.00 0.159 HD +ATOM 6504 H ASN B 144 158.914 194.722 218.745 1.00 0.00 0.164 HD +ATOM 6505 C LEU B 145 154.965 199.292 219.412 1.00 0.00 0.243 C +ATOM 6506 O LEU B 145 154.847 200.513 219.480 1.00 0.00 -0.272 OA +ATOM 6507 CA LEU B 145 155.658 198.647 218.208 1.00 0.00 0.172 C +ATOM 6508 N LEU B 145 155.867 197.211 218.364 1.00 0.00 -0.345 N +ATOM 6509 CB LEU B 145 154.840 198.917 216.945 1.00 0.00 0.038 C +ATOM 6510 CG LEU B 145 155.433 198.424 215.620 1.00 0.00 -0.015 C +ATOM 6511 CD1 LEU B 145 154.424 198.587 214.492 1.00 0.00 0.007 C +ATOM 6512 CD2 LEU B 145 156.719 199.161 215.288 1.00 0.00 0.007 C +ATOM 6513 H LEU B 145 155.311 196.730 217.917 1.00 0.00 0.165 HD +ATOM 6514 C SER B 146 154.785 199.637 222.518 1.00 0.00 0.244 C +ATOM 6515 O SER B 146 154.377 200.416 223.372 1.00 0.00 -0.272 OA +ATOM 6516 CA SER B 146 153.816 199.003 221.527 1.00 0.00 0.197 C +ATOM 6517 N SER B 146 154.515 198.478 220.361 1.00 0.00 -0.342 N +ATOM 6518 CB SER B 146 153.011 197.899 222.215 1.00 0.00 0.191 C +ATOM 6519 OG SER B 146 151.904 197.516 221.420 1.00 0.00 -0.392 OA +ATOM 6520 HG SER B 146 151.470 196.910 221.806 1.00 0.00 0.210 HD +ATOM 6521 H SER B 146 154.600 197.623 220.353 1.00 0.00 0.164 HD +ATOM 6522 C TYR B 147 157.593 201.217 222.704 1.00 0.00 0.243 C +ATOM 6523 O TYR B 147 157.744 201.381 221.495 1.00 0.00 -0.272 OA +ATOM 6524 CA TYR B 147 157.104 199.881 223.244 1.00 0.00 0.175 C +ATOM 6525 N TYR B 147 156.064 199.292 222.406 1.00 0.00 -0.343 N +ATOM 6526 CB TYR B 147 158.324 198.962 223.338 1.00 0.00 0.070 C +ATOM 6527 CG TYR B 147 158.208 197.723 224.194 1.00 0.00 -0.045 A +ATOM 6528 CD1 TYR B 147 158.678 197.715 225.500 1.00 0.00 0.007 A +ATOM 6529 CD2 TYR B 147 157.688 196.545 223.679 1.00 0.00 0.007 A +ATOM 6530 CE1 TYR B 147 158.604 196.574 226.280 1.00 0.00 0.046 A +ATOM 6531 CE2 TYR B 147 157.609 195.401 224.451 1.00 0.00 0.046 A +ATOM 6532 CZ TYR B 147 158.071 195.421 225.751 1.00 0.00 0.115 A +ATOM 6533 OH TYR B 147 157.998 194.285 226.524 1.00 0.00 -0.507 OA +ATOM 6534 HH TYR B 147 158.311 194.438 227.289 1.00 0.00 0.294 HD +ATOM 6535 H TYR B 147 156.359 198.712 221.844 1.00 0.00 0.164 HD +ATOM 6536 C TYR B 148 160.167 202.570 223.130 1.00 0.00 0.243 C +ATOM 6537 O TYR B 148 160.497 201.649 223.877 1.00 0.00 -0.272 OA +ATOM 6538 CA TYR B 148 158.800 203.225 223.289 1.00 0.00 0.175 C +ATOM 6539 N TYR B 148 157.863 202.159 223.601 1.00 0.00 -0.343 N +ATOM 6540 CB TYR B 148 158.862 204.282 224.391 1.00 0.00 0.070 C +ATOM 6541 CG TYR B 148 157.675 205.210 224.488 1.00 0.00 -0.045 A +ATOM 6542 CD1 TYR B 148 157.367 206.093 223.463 1.00 0.00 0.007 A +ATOM 6543 CD2 TYR B 148 156.888 205.232 225.631 1.00 0.00 0.007 A +ATOM 6544 CE1 TYR B 148 156.292 206.952 223.565 1.00 0.00 0.046 A +ATOM 6545 CE2 TYR B 148 155.817 206.086 225.741 1.00 0.00 0.046 A +ATOM 6546 CZ TYR B 148 155.523 206.947 224.710 1.00 0.00 0.115 A +ATOM 6547 OH TYR B 148 154.449 207.797 224.827 1.00 0.00 -0.507 OA +ATOM 6548 HH TYR B 148 154.075 207.686 225.571 1.00 0.00 0.294 HD +ATOM 6549 H TYR B 148 157.521 202.202 224.388 1.00 0.00 0.164 HD +ATOM 6550 C THR B 149 163.253 203.269 222.951 1.00 0.00 0.245 C +ATOM 6551 O THR B 149 162.829 204.200 223.631 1.00 0.00 -0.273 OA +ATOM 6552 CA THR B 149 162.316 202.508 222.015 1.00 0.00 0.199 C +ATOM 6553 N THR B 149 160.962 203.029 222.171 1.00 0.00 -0.341 N +ATOM 6554 CB THR B 149 162.798 202.600 220.548 1.00 0.00 0.143 C +ATOM 6555 CG2 THR B 149 163.142 204.035 220.158 1.00 0.00 0.041 C +ATOM 6556 OG1 THR B 149 163.929 201.742 220.350 1.00 0.00 -0.389 OA +ATOM 6557 HG1 THR B 149 164.557 201.972 220.859 1.00 0.00 0.211 HD +ATOM 6558 H THR B 149 160.745 203.636 221.603 1.00 0.00 0.164 HD +ATOM 6559 C ARG B 150 166.817 203.763 223.269 1.00 0.00 0.242 C +ATOM 6560 O ARG B 150 167.386 202.956 222.535 1.00 0.00 -0.273 OA +ATOM 6561 CA ARG B 150 165.482 203.427 223.927 1.00 0.00 0.171 C +ATOM 6562 N ARG B 150 164.515 202.856 222.997 1.00 0.00 -0.344 N +ATOM 6563 CB ARG B 150 165.711 202.459 225.087 1.00 0.00 0.038 C +ATOM 6564 CG ARG B 150 164.541 202.372 226.042 1.00 0.00 0.040 C +ATOM 6565 CD ARG B 150 164.507 203.571 226.969 1.00 0.00 0.197 C +ATOM 6566 NE ARG B 150 165.484 203.438 228.045 1.00 0.00 -0.278 N +ATOM 6567 HE ARG B 150 166.262 203.784 227.925 1.00 0.00 0.260 HD +ATOM 6568 CZ ARG B 150 165.253 202.819 229.198 1.00 0.00 0.339 C +ATOM 6569 NH1 ARG B 150 164.070 202.272 229.445 1.00 0.00 -0.290 N +ATOM 6570 NH2 ARG B 150 166.209 202.745 230.112 1.00 0.00 -0.290 N +ATOM 6571 HH12 ARG B 150 163.445 202.315 228.855 1.00 0.00 0.256 HD +ATOM 6572 HH11 ARG B 150 163.928 201.874 230.194 1.00 0.00 0.256 HD +ATOM 6573 HH22 ARG B 150 166.977 203.099 229.959 1.00 0.00 0.256 HD +ATOM 6574 HH21 ARG B 150 166.059 202.348 230.860 1.00 0.00 0.256 HD +ATOM 6575 H ARG B 150 164.840 202.239 222.493 1.00 0.00 0.164 HD +ATOM 6576 C ALA B 151 169.719 204.767 223.799 1.00 0.00 0.243 C +ATOM 6577 O ALA B 151 170.745 204.398 223.226 1.00 0.00 -0.272 OA +ATOM 6578 CA ALA B 151 168.586 205.421 223.022 1.00 0.00 0.168 C +ATOM 6579 N ALA B 151 167.305 204.969 223.541 1.00 0.00 -0.344 N +ATOM 6580 CB ALA B 151 168.689 206.934 223.097 1.00 0.00 0.041 C +ATOM 6581 H ALA B 151 166.906 205.550 224.033 1.00 0.00 0.164 HD +ATOM 6582 C LEU B 152 169.687 202.687 226.558 1.00 0.00 0.243 C +ATOM 6583 O LEU B 152 168.531 202.825 226.957 1.00 0.00 -0.272 OA +ATOM 6584 CA LEU B 152 170.434 203.866 225.951 1.00 0.00 0.172 C +ATOM 6585 N LEU B 152 169.526 204.635 225.108 1.00 0.00 -0.345 N +ATOM 6586 CB LEU B 152 171.035 204.736 227.058 1.00 0.00 0.038 C +ATOM 6587 CG LEU B 152 172.259 205.588 226.704 1.00 0.00 -0.015 C +ATOM 6588 CD1 LEU B 152 172.667 206.438 227.898 1.00 0.00 0.007 C +ATOM 6589 CD2 LEU B 152 173.431 204.724 226.243 1.00 0.00 0.007 C +ATOM 6590 H LEU B 152 168.868 204.985 225.536 1.00 0.00 0.165 HD +ATOM 6591 C PRO B 153 169.339 200.536 228.674 1.00 0.00 0.243 C +ATOM 6592 O PRO B 153 170.011 201.323 229.340 1.00 0.00 -0.271 OA +ATOM 6593 CA PRO B 153 169.654 200.352 227.193 1.00 0.00 0.175 C +ATOM 6594 N PRO B 153 170.340 201.517 226.628 1.00 0.00 -0.329 N +ATOM 6595 CB PRO B 153 170.659 199.213 226.982 1.00 0.00 0.037 C +ATOM 6596 CG PRO B 153 171.986 199.885 226.872 1.00 0.00 0.024 C +ATOM 6597 CD PRO B 153 171.718 201.202 226.214 1.00 0.00 0.121 C +ATOM 6598 C PRO B 154 169.163 199.368 231.470 1.00 0.00 0.243 C +ATOM 6599 O PRO B 154 169.942 198.527 231.021 1.00 0.00 -0.271 OA +ATOM 6600 CA PRO B 154 168.015 199.877 230.616 1.00 0.00 0.175 C +ATOM 6601 N PRO B 154 168.322 199.824 229.184 1.00 0.00 -0.329 N +ATOM 6602 CB PRO B 154 166.791 198.964 230.751 1.00 0.00 0.037 C +ATOM 6603 CG PRO B 154 166.836 198.084 229.556 1.00 0.00 0.024 C +ATOM 6604 CD PRO B 154 167.405 198.927 228.464 1.00 0.00 0.121 C +ATOM 6605 C VAL B 155 169.837 197.932 233.975 1.00 0.00 0.243 C +ATOM 6606 O VAL B 155 168.660 197.662 234.203 1.00 0.00 -0.272 OA +ATOM 6607 CA VAL B 155 170.234 199.369 233.643 1.00 0.00 0.173 C +ATOM 6608 N VAL B 155 169.266 199.881 232.687 1.00 0.00 -0.343 N +ATOM 6609 CB VAL B 155 170.282 200.222 234.923 1.00 0.00 0.015 C +ATOM 6610 CG1 VAL B 155 171.362 199.715 235.866 1.00 0.00 0.010 C +ATOM 6611 CG2 VAL B 155 170.528 201.682 234.575 1.00 0.00 0.010 C +ATOM 6612 H VAL B 155 168.785 200.529 232.985 1.00 0.00 0.164 HD +ATOM 6613 C PRO B 156 169.768 195.465 235.664 1.00 0.00 0.243 C +ATOM 6614 O PRO B 156 169.994 196.275 236.562 1.00 0.00 -0.271 OA +ATOM 6615 CA PRO B 156 170.468 195.605 234.310 1.00 0.00 0.175 C +ATOM 6616 N PRO B 156 170.804 196.997 233.981 1.00 0.00 -0.329 N +ATOM 6617 CB PRO B 156 171.832 194.912 234.319 1.00 0.00 0.037 C +ATOM 6618 CG PRO B 156 172.662 195.722 233.393 1.00 0.00 0.024 C +ATOM 6619 CD PRO B 156 172.214 197.136 233.574 1.00 0.00 0.121 C +ATOM 6620 C ASP B 157 168.930 194.070 238.263 1.00 0.00 0.242 C +ATOM 6621 O ASP B 157 168.525 194.501 239.343 1.00 0.00 -0.273 OA +ATOM 6622 CA ASP B 157 168.105 194.264 236.991 1.00 0.00 0.176 C +ATOM 6623 N ASP B 157 168.924 194.446 235.795 1.00 0.00 -0.343 N +ATOM 6624 CB ASP B 157 167.173 193.062 236.807 1.00 0.00 0.087 C +ATOM 6625 CG ASP B 157 165.915 193.408 236.033 1.00 0.00 0.044 C +ATOM 6626 OD1 ASP B 157 165.922 194.413 235.292 1.00 0.00 -0.548 OA +ATOM 6627 OD2 ASP B 157 164.916 192.668 236.165 1.00 0.00 -0.549 OA +ATOM 6628 H ASP B 157 168.806 193.839 235.198 1.00 0.00 0.164 HD +ATOM 6629 C ASP B 158 172.150 193.826 239.464 1.00 0.00 0.242 C +ATOM 6630 O ASP B 158 173.253 193.277 239.479 1.00 0.00 -0.273 OA +ATOM 6631 CA ASP B 158 170.877 193.001 239.279 1.00 0.00 0.176 C +ATOM 6632 N ASP B 158 170.086 193.429 238.126 1.00 0.00 -0.343 N +ATOM 6633 CB ASP B 158 171.243 191.522 239.135 1.00 0.00 0.087 C +ATOM 6634 CG ASP B 158 172.003 191.234 237.855 1.00 0.00 0.044 C +ATOM 6635 OD1 ASP B 158 171.707 191.883 236.829 1.00 0.00 -0.548 OA +ATOM 6636 OD2 ASP B 158 172.901 190.367 237.877 1.00 0.00 -0.549 OA +ATOM 6637 H ASP B 158 170.439 193.226 237.369 1.00 0.00 0.164 HD +ATOM 6638 CB CYS B 159 173.035 197.220 238.858 1.00 0.00 0.116 C +ATOM 6639 SG CYS B 159 173.158 196.784 237.108 1.00 0.00 -0.092 SA +ATOM 6640 CA CYS B 159 173.144 196.021 239.799 1.00 0.00 0.183 C +ATOM 6641 C CYS B 159 173.263 196.490 241.248 1.00 0.00 0.244 C +ATOM 6642 N CYS B 159 171.997 195.136 239.623 1.00 0.00 -0.343 N +ATOM 6643 O CYS B 159 172.267 196.548 241.969 1.00 0.00 -0.272 OA +ATOM 6644 H CYS B 159 171.237 195.539 239.633 1.00 0.00 0.164 HD +ATOM 6645 C PRO B 160 174.033 198.588 243.407 1.00 0.00 0.243 C +ATOM 6646 O PRO B 160 173.768 198.847 244.579 1.00 0.00 -0.271 OA +ATOM 6647 CA PRO B 160 174.708 197.257 243.071 1.00 0.00 0.175 C +ATOM 6648 N PRO B 160 174.489 196.822 241.685 1.00 0.00 -0.329 N +ATOM 6649 CB PRO B 160 176.236 197.373 243.168 1.00 0.00 0.037 C +ATOM 6650 CG PRO B 160 176.716 197.479 241.774 1.00 0.00 0.024 C +ATOM 6651 CD PRO B 160 175.751 196.715 240.935 1.00 0.00 0.121 C +ATOM 6652 C THR B 161 171.968 200.731 241.452 1.00 0.00 0.245 C +ATOM 6653 O THR B 161 172.166 200.135 240.395 1.00 0.00 -0.273 OA +ATOM 6654 CA THR B 161 172.979 200.629 242.588 1.00 0.00 0.199 C +ATOM 6655 N THR B 161 173.770 199.417 242.399 1.00 0.00 -0.341 N +ATOM 6656 CB THR B 161 173.849 201.905 242.624 1.00 0.00 0.143 C +ATOM 6657 CG2 THR B 161 175.132 201.671 243.410 1.00 0.00 0.041 C +ATOM 6658 OG1 THR B 161 174.169 202.313 241.289 1.00 0.00 -0.389 OA +ATOM 6659 HG1 THR B 161 174.642 203.007 241.306 1.00 0.00 0.211 HD +ATOM 6660 H THR B 161 174.041 199.299 241.592 1.00 0.00 0.164 HD +ATOM 6661 C PRO B 162 170.284 202.140 239.306 1.00 0.00 0.243 C +ATOM 6662 O PRO B 162 169.599 201.946 238.303 1.00 0.00 -0.271 OA +ATOM 6663 CA PRO B 162 169.823 201.548 240.640 1.00 0.00 0.175 C +ATOM 6664 N PRO B 162 170.871 201.474 241.666 1.00 0.00 -0.329 N +ATOM 6665 CB PRO B 162 168.753 202.441 241.289 1.00 0.00 0.037 C +ATOM 6666 CG PRO B 162 169.404 203.077 242.467 1.00 0.00 0.024 C +ATOM 6667 CD PRO B 162 170.473 202.150 242.912 1.00 0.00 0.121 C +ATOM 6668 C LEU B 163 173.157 202.709 237.515 1.00 0.00 0.243 C +ATOM 6669 O LEU B 163 173.722 203.109 236.501 1.00 0.00 -0.272 OA +ATOM 6670 CA LEU B 163 171.932 203.440 238.058 1.00 0.00 0.172 C +ATOM 6671 N LEU B 163 171.418 202.837 239.289 1.00 0.00 -0.345 N +ATOM 6672 CB LEU B 163 172.271 204.915 238.289 1.00 0.00 0.038 C +ATOM 6673 CG LEU B 163 171.083 205.859 238.503 1.00 0.00 -0.015 C +ATOM 6674 CD1 LEU B 163 171.573 207.271 238.767 1.00 0.00 0.007 C +ATOM 6675 CD2 LEU B 163 170.145 205.843 237.307 1.00 0.00 0.007 C +ATOM 6676 H LEU B 163 171.911 202.976 239.980 1.00 0.00 0.165 HD +ATOM 6677 C GLY B 164 175.625 200.580 238.953 1.00 0.00 0.239 C +ATOM 6678 O GLY B 164 175.479 199.565 239.630 1.00 0.00 -0.273 OA +ATOM 6679 CA GLY B 164 174.712 200.860 237.778 1.00 0.00 0.216 C +ATOM 6680 N GLY B 164 173.554 201.634 238.185 1.00 0.00 -0.346 N +ATOM 6681 H GLY B 164 173.162 201.330 238.888 1.00 0.00 0.164 HD +ATOM 6682 C VAL B 165 177.676 202.692 241.058 1.00 0.00 0.243 C +ATOM 6683 O VAL B 165 178.170 202.717 242.184 1.00 0.00 -0.272 OA +ATOM 6684 CA VAL B 165 177.476 201.362 240.332 1.00 0.00 0.173 C +ATOM 6685 N VAL B 165 176.567 201.486 239.198 1.00 0.00 -0.343 N +ATOM 6686 CB VAL B 165 178.850 200.817 239.892 1.00 0.00 0.015 C +ATOM 6687 CG1 VAL B 165 178.708 199.406 239.337 1.00 0.00 0.010 C +ATOM 6688 CG2 VAL B 165 179.490 201.734 238.865 1.00 0.00 0.010 C +ATOM 6689 H VAL B 165 176.702 202.187 238.717 1.00 0.00 0.164 HD +ATOM 6690 C LYS B 166 176.211 205.467 241.873 1.00 0.00 0.242 C +ATOM 6691 O LYS B 166 175.118 204.942 241.671 1.00 0.00 -0.273 OA +ATOM 6692 CA LYS B 166 177.423 205.114 241.015 1.00 0.00 0.171 C +ATOM 6693 N LYS B 166 177.290 203.790 240.416 1.00 0.00 -0.344 N +ATOM 6694 CB LYS B 166 177.609 206.182 239.928 1.00 0.00 0.035 C +ATOM 6695 CG LYS B 166 178.837 205.998 239.043 1.00 0.00 0.008 C +ATOM 6696 CD LYS B 166 180.070 205.627 239.854 1.00 0.00 0.061 C +ATOM 6697 CE LYS B 166 181.344 206.154 239.225 1.00 0.00 0.258 C +ATOM 6698 NZ LYS B 166 181.648 207.529 239.708 1.00 0.00 -0.357 N +ATOM 6699 HZ1 LYS B 166 182.397 207.825 239.330 1.00 0.00 0.345 HD +ATOM 6700 HZ2 LYS B 166 180.981 208.079 239.496 1.00 0.00 0.345 HD +ATOM 6701 HZ3 LYS B 166 181.751 207.525 240.592 1.00 0.00 0.345 HD +ATOM 6702 H LYS B 166 176.947 203.796 239.628 1.00 0.00 0.164 HD +ATOM 6703 C GLY B 167 175.056 205.892 244.836 1.00 0.00 0.239 C +ATOM 6704 O GLY B 167 175.629 204.805 244.927 1.00 0.00 -0.273 OA +ATOM 6705 CA GLY B 167 175.352 206.836 243.688 1.00 0.00 0.216 C +ATOM 6706 N GLY B 167 176.422 206.363 242.831 1.00 0.00 -0.346 N +ATOM 6707 H GLY B 167 177.187 206.715 243.003 1.00 0.00 0.164 HD +ATOM 6708 C GLN B 170 168.632 205.578 246.392 1.00 0.00 0.242 C +ATOM 6709 O GLN B 170 169.378 206.407 246.913 1.00 0.00 -0.273 OA +ATOM 6710 CA GLN B 170 168.560 204.154 246.921 1.00 0.00 0.171 C +ATOM 6711 N GLN B 170 169.897 203.675 247.260 1.00 0.00 -0.343 N +ATOM 6712 CB GLN B 170 167.631 204.097 248.136 1.00 0.00 0.045 C +ATOM 6713 CG GLN B 170 167.259 202.679 248.572 1.00 0.00 0.102 C +ATOM 6714 CD GLN B 170 167.751 202.316 249.965 1.00 0.00 0.217 C +ATOM 6715 OE1 GLN B 170 168.583 203.009 250.552 1.00 0.00 -0.275 OA +ATOM 6716 NE2 GLN B 170 167.234 201.214 250.501 1.00 0.00 -0.368 N +ATOM 6717 HE22 GLN B 170 166.656 200.753 250.063 1.00 0.00 0.159 HD +ATOM 6718 HE21 GLN B 170 167.477 200.963 251.287 1.00 0.00 0.159 HD +ATOM 6719 H GLN B 170 170.319 204.188 247.807 1.00 0.00 0.164 HD +ATOM 6720 C LEU B 171 167.077 208.148 245.712 1.00 0.00 0.243 C +ATOM 6721 O LEU B 171 166.321 207.711 246.578 1.00 0.00 -0.272 OA +ATOM 6722 CA LEU B 171 167.808 207.192 244.775 1.00 0.00 0.172 C +ATOM 6723 N LEU B 171 167.856 205.856 245.351 1.00 0.00 -0.345 N +ATOM 6724 CB LEU B 171 167.125 207.158 243.407 1.00 0.00 0.038 C +ATOM 6725 CG LEU B 171 167.895 206.411 242.316 1.00 0.00 -0.015 C +ATOM 6726 CD1 LEU B 171 166.996 206.132 241.123 1.00 0.00 0.007 C +ATOM 6727 CD2 LEU B 171 169.122 207.204 241.887 1.00 0.00 0.007 C +ATOM 6728 H LEU B 171 167.346 205.285 244.959 1.00 0.00 0.165 HD +ATOM 6729 C PRO B 172 165.106 210.365 246.277 1.00 0.00 0.243 C +ATOM 6730 O PRO B 172 164.589 209.949 245.241 1.00 0.00 -0.271 OA +ATOM 6731 CA PRO B 172 166.623 210.447 246.391 1.00 0.00 0.175 C +ATOM 6732 N PRO B 172 167.301 209.460 245.543 1.00 0.00 -0.329 N +ATOM 6733 CB PRO B 172 167.126 211.790 245.853 1.00 0.00 0.037 C +ATOM 6734 CG PRO B 172 168.327 211.480 245.045 1.00 0.00 0.024 C +ATOM 6735 CD PRO B 172 168.182 210.091 244.547 1.00 0.00 0.121 C +ATOM 6736 C ASP B 173 162.469 211.712 246.187 1.00 0.00 0.242 C +ATOM 6737 O ASP B 173 162.929 212.847 246.055 1.00 0.00 -0.273 OA +ATOM 6738 CA ASP B 173 162.952 210.803 247.315 1.00 0.00 0.176 C +ATOM 6739 N ASP B 173 164.408 210.764 247.333 1.00 0.00 -0.343 N +ATOM 6740 CB ASP B 173 162.416 211.289 248.663 1.00 0.00 0.087 C +ATOM 6741 CG ASP B 173 160.924 211.080 248.806 1.00 0.00 0.044 C +ATOM 6742 OD1 ASP B 173 160.521 210.054 249.393 1.00 0.00 -0.548 OA +ATOM 6743 OD2 ASP B 173 160.153 211.940 248.331 1.00 0.00 -0.549 OA +ATOM 6744 H ASP B 173 164.756 211.018 248.077 1.00 0.00 0.164 HD +ATOM 6745 C SER B 174 160.498 213.306 244.629 1.00 0.00 0.244 C +ATOM 6746 O SER B 174 160.826 214.313 244.003 1.00 0.00 -0.272 OA +ATOM 6747 CA SER B 174 161.018 211.931 244.229 1.00 0.00 0.197 C +ATOM 6748 N SER B 174 161.554 211.196 245.371 1.00 0.00 -0.342 N +ATOM 6749 CB SER B 174 159.890 211.137 243.568 1.00 0.00 0.191 C +ATOM 6750 OG SER B 174 160.339 209.861 243.155 1.00 0.00 -0.392 OA +ATOM 6751 HG SER B 174 160.965 209.942 242.602 1.00 0.00 0.210 HD +ATOM 6752 H SER B 174 161.221 210.408 245.461 1.00 0.00 0.164 HD +ATOM 6753 C ASN B 175 160.067 215.576 246.652 1.00 0.00 0.242 C +ATOM 6754 O ASN B 175 159.885 216.781 246.487 1.00 0.00 -0.273 OA +ATOM 6755 CA ASN B 175 159.050 214.562 246.134 1.00 0.00 0.180 C +ATOM 6756 N ASN B 175 159.686 213.334 245.680 1.00 0.00 -0.342 N +ATOM 6757 CB ASN B 175 158.020 214.240 247.217 1.00 0.00 0.134 C +ATOM 6758 CG ASN B 175 157.097 215.404 247.508 1.00 0.00 0.220 C +ATOM 6759 OD1 ASN B 175 156.247 215.756 246.690 1.00 0.00 -0.275 OA +ATOM 6760 ND2 ASN B 175 157.248 216.000 248.684 1.00 0.00 -0.368 N +ATOM 6761 HD22 ASN B 175 156.747 216.666 248.896 1.00 0.00 0.159 HD +ATOM 6762 HD21 ASN B 175 157.847 215.720 249.234 1.00 0.00 0.159 HD +ATOM 6763 H ASN B 175 159.486 212.644 246.152 1.00 0.00 0.164 HD +ATOM 6764 C GLU B 176 162.852 216.706 246.585 1.00 0.00 0.242 C +ATOM 6765 O GLU B 176 163.058 217.916 246.658 1.00 0.00 -0.273 OA +ATOM 6766 CA GLU B 176 162.204 215.961 247.747 1.00 0.00 0.171 C +ATOM 6767 N GLU B 176 161.135 215.087 247.276 1.00 0.00 -0.344 N +ATOM 6768 CB GLU B 176 163.270 215.167 248.507 1.00 0.00 0.041 C +ATOM 6769 CG GLU B 176 163.001 215.020 249.999 1.00 0.00 0.055 C +ATOM 6770 CD GLU B 176 164.269 214.797 250.804 1.00 0.00 0.041 C +ATOM 6771 OE1 GLU B 176 165.231 215.577 250.634 1.00 0.00 -0.548 OA +ATOM 6772 OE2 GLU B 176 164.302 213.844 251.612 1.00 0.00 -0.549 OA +ATOM 6773 H GLU B 176 161.264 214.253 247.438 1.00 0.00 0.164 HD +ATOM 6774 C ILE B 177 162.902 217.657 243.761 1.00 0.00 0.243 C +ATOM 6775 O ILE B 177 163.363 218.765 243.488 1.00 0.00 -0.272 OA +ATOM 6776 CA ILE B 177 163.793 216.563 244.338 1.00 0.00 0.174 C +ATOM 6777 N ILE B 177 163.177 215.976 245.522 1.00 0.00 -0.343 N +ATOM 6778 CB ILE B 177 164.065 215.491 243.257 1.00 0.00 0.018 C +ATOM 6779 CG2 ILE B 177 164.450 216.132 241.919 1.00 0.00 0.010 C +ATOM 6780 CG1 ILE B 177 165.186 214.556 243.711 1.00 0.00 0.002 C +ATOM 6781 CD1 ILE B 177 165.228 213.250 242.954 1.00 0.00 0.004 C +ATOM 6782 H ILE B 177 163.049 215.127 245.462 1.00 0.00 0.164 HD +ATOM 6783 C VAL B 178 160.587 219.544 243.856 1.00 0.00 0.243 C +ATOM 6784 O VAL B 178 160.649 220.651 243.324 1.00 0.00 -0.272 OA +ATOM 6785 CA VAL B 178 160.663 218.272 243.019 1.00 0.00 0.173 C +ATOM 6786 N VAL B 178 161.627 217.332 243.575 1.00 0.00 -0.343 N +ATOM 6787 CB VAL B 178 159.260 217.637 242.923 1.00 0.00 0.015 C +ATOM 6788 CG1 VAL B 178 158.213 218.672 242.534 1.00 0.00 0.010 C +ATOM 6789 CG2 VAL B 178 159.264 216.494 241.917 1.00 0.00 0.010 C +ATOM 6790 H VAL B 178 161.293 216.563 243.766 1.00 0.00 0.164 HD +ATOM 6791 C GLU B 179 161.570 221.359 246.170 1.00 0.00 0.242 C +ATOM 6792 O GLU B 179 161.504 222.586 246.227 1.00 0.00 -0.273 OA +ATOM 6793 CA GLU B 179 160.298 220.518 246.068 1.00 0.00 0.171 C +ATOM 6794 N GLU B 179 160.453 219.381 245.167 1.00 0.00 -0.344 N +ATOM 6795 CB GLU B 179 159.889 220.038 247.463 1.00 0.00 0.041 C +ATOM 6796 CG GLU B 179 158.477 219.470 247.539 1.00 0.00 0.055 C +ATOM 6797 CD GLU B 179 158.104 219.024 248.940 1.00 0.00 0.041 C +ATOM 6798 OE1 GLU B 179 158.981 219.049 249.829 1.00 0.00 -0.548 OA +ATOM 6799 OE2 GLU B 179 156.931 218.651 249.153 1.00 0.00 -0.549 OA +ATOM 6800 H GLU B 179 160.449 218.617 245.563 1.00 0.00 0.164 HD +ATOM 6801 C LYS B 180 164.607 222.013 245.176 1.00 0.00 0.242 C +ATOM 6802 O LYS B 180 165.350 222.988 245.281 1.00 0.00 -0.273 OA +ATOM 6803 CA LYS B 180 163.993 221.382 246.425 1.00 0.00 0.171 C +ATOM 6804 N LYS B 180 162.723 220.698 246.185 1.00 0.00 -0.344 N +ATOM 6805 CB LYS B 180 165.009 220.411 247.032 1.00 0.00 0.035 C +ATOM 6806 CG LYS B 180 164.874 220.207 248.533 1.00 0.00 0.008 C +ATOM 6807 CD LYS B 180 165.997 219.328 249.060 1.00 0.00 0.061 C +ATOM 6808 CE LYS B 180 166.144 219.435 250.572 1.00 0.00 0.258 C +ATOM 6809 NZ LYS B 180 164.961 218.900 251.299 1.00 0.00 -0.357 N +ATOM 6810 HZ1 LYS B 180 165.083 218.980 252.177 1.00 0.00 0.345 HD +ATOM 6811 HZ2 LYS B 180 164.231 219.353 251.066 1.00 0.00 0.345 HD +ATOM 6812 HZ3 LYS B 180 164.845 218.041 251.099 1.00 0.00 0.345 HD +ATOM 6813 H LYS B 180 162.799 219.851 246.058 1.00 0.00 0.164 HD +ATOM 6814 C LEU B 181 164.111 222.291 241.626 1.00 0.00 0.243 C +ATOM 6815 O LEU B 181 164.567 223.003 240.734 1.00 0.00 -0.272 OA +ATOM 6816 CA LEU B 181 165.010 221.841 242.776 1.00 0.00 0.172 C +ATOM 6817 N LEU B 181 164.303 221.462 244.001 1.00 0.00 -0.345 N +ATOM 6818 CB LEU B 181 165.869 220.668 242.293 1.00 0.00 0.038 C +ATOM 6819 CG LEU B 181 167.005 220.222 243.215 1.00 0.00 -0.015 C +ATOM 6820 CD1 LEU B 181 167.647 218.949 242.689 1.00 0.00 0.007 C +ATOM 6821 CD2 LEU B 181 168.045 221.318 243.355 1.00 0.00 0.007 C +ATOM 6822 H LEU B 181 163.693 220.868 243.886 1.00 0.00 0.165 HD +ATOM 6823 C LEU B 182 160.744 222.931 240.729 1.00 0.00 0.243 C +ATOM 6824 O LEU B 182 160.217 223.550 239.805 1.00 0.00 -0.272 OA +ATOM 6825 CA LEU B 182 161.975 222.062 240.477 1.00 0.00 0.172 C +ATOM 6826 N LEU B 182 162.845 221.882 241.641 1.00 0.00 -0.345 N +ATOM 6827 CB LEU B 182 161.521 220.694 239.960 1.00 0.00 0.038 C +ATOM 6828 CG LEU B 182 162.631 219.680 239.672 1.00 0.00 -0.015 C +ATOM 6829 CD1 LEU B 182 162.028 218.404 239.116 1.00 0.00 0.007 C +ATOM 6830 CD2 LEU B 182 163.673 220.246 238.713 1.00 0.00 0.007 C +ATOM 6831 H LEU B 182 162.465 221.499 242.310 1.00 0.00 0.165 HD +ATOM 6832 C LEU B 183 159.231 225.206 242.131 1.00 0.00 0.243 C +ATOM 6833 O LEU B 183 160.231 225.770 242.571 1.00 0.00 -0.272 OA +ATOM 6834 CA LEU B 183 159.051 223.695 242.286 1.00 0.00 0.172 C +ATOM 6835 N LEU B 183 160.277 222.974 241.970 1.00 0.00 -0.345 N +ATOM 6836 CB LEU B 183 158.592 223.361 243.705 1.00 0.00 0.038 C +ATOM 6837 CG LEU B 183 157.176 223.801 244.083 1.00 0.00 -0.015 C +ATOM 6838 CD1 LEU B 183 156.134 223.070 243.246 1.00 0.00 0.007 C +ATOM 6839 CD2 LEU B 183 156.934 223.565 245.562 1.00 0.00 0.007 C +ATOM 6840 H LEU B 183 160.650 222.595 242.646 1.00 0.00 0.165 HD +ATOM 6841 C ARG B 184 157.905 228.107 242.463 1.00 0.00 0.242 C +ATOM 6842 O ARG B 184 156.874 227.856 243.085 1.00 0.00 -0.273 OA +ATOM 6843 CA ARG B 184 158.300 227.285 241.238 1.00 0.00 0.171 C +ATOM 6844 N ARG B 184 158.252 225.849 241.500 1.00 0.00 -0.344 N +ATOM 6845 CB ARG B 184 157.380 227.637 240.065 1.00 0.00 0.038 C +ATOM 6846 CG ARG B 184 157.269 229.128 239.760 1.00 0.00 0.040 C +ATOM 6847 CD ARG B 184 156.239 229.388 238.674 1.00 0.00 0.197 C +ATOM 6848 NE ARG B 184 156.644 228.835 237.384 1.00 0.00 -0.278 N +ATOM 6849 HE ARG B 184 157.460 228.580 237.296 1.00 0.00 0.260 HD +ATOM 6850 CZ ARG B 184 155.836 228.700 236.337 1.00 0.00 0.339 C +ATOM 6851 NH1 ARG B 184 154.565 229.068 236.416 1.00 0.00 -0.290 N +ATOM 6852 NH2 ARG B 184 156.299 228.190 235.207 1.00 0.00 -0.290 N +ATOM 6853 HH12 ARG B 184 154.258 229.401 237.147 1.00 0.00 0.256 HD +ATOM 6854 HH11 ARG B 184 154.048 228.976 235.735 1.00 0.00 0.256 HD +ATOM 6855 HH22 ARG B 184 157.122 227.948 235.150 1.00 0.00 0.256 HD +ATOM 6856 HH21 ARG B 184 155.776 228.100 234.531 1.00 0.00 0.256 HD +ATOM 6857 H ARG B 184 157.538 225.469 241.209 1.00 0.00 0.164 HD +ATOM 6858 C ARG B 185 158.017 231.368 243.144 1.00 0.00 0.242 C +ATOM 6859 O ARG B 185 156.935 231.907 243.370 1.00 0.00 -0.273 OA +ATOM 6860 CA ARG B 185 158.423 230.072 243.827 1.00 0.00 0.171 C +ATOM 6861 N ARG B 185 158.739 229.088 242.795 1.00 0.00 -0.344 N +ATOM 6862 CB ARG B 185 159.624 230.317 244.740 1.00 0.00 0.038 C +ATOM 6863 CG ARG B 185 160.302 229.056 245.245 1.00 0.00 0.040 C +ATOM 6864 CD ARG B 185 159.389 228.250 246.150 1.00 0.00 0.197 C +ATOM 6865 NE ARG B 185 158.932 229.024 247.299 1.00 0.00 -0.278 N +ATOM 6866 HE ARG B 185 158.129 229.332 247.282 1.00 0.00 0.260 HD +ATOM 6867 CZ ARG B 185 159.673 229.286 248.372 1.00 0.00 0.339 C +ATOM 6868 NH1 ARG B 185 160.921 228.845 248.448 1.00 0.00 -0.290 N +ATOM 6869 NH2 ARG B 185 159.166 229.997 249.369 1.00 0.00 -0.290 N +ATOM 6870 HH12 ARG B 185 161.254 228.383 247.804 1.00 0.00 0.256 HD +ATOM 6871 HH11 ARG B 185 161.396 229.018 249.144 1.00 0.00 0.256 HD +ATOM 6872 HH22 ARG B 185 158.358 230.287 249.323 1.00 0.00 0.256 HD +ATOM 6873 HH21 ARG B 185 159.646 230.169 250.062 1.00 0.00 0.256 HD +ATOM 6874 H ARG B 185 159.508 229.206 242.431 1.00 0.00 0.164 HD +ATOM 6875 C LYS B 186 158.744 232.661 240.038 1.00 0.00 0.242 C +ATOM 6876 O LYS B 186 159.646 231.954 239.591 1.00 0.00 -0.273 OA +ATOM 6877 CA LYS B 186 158.734 233.052 241.510 1.00 0.00 0.171 C +ATOM 6878 N LYS B 186 158.920 231.846 242.298 1.00 0.00 -0.344 N +ATOM 6879 CB LYS B 186 159.842 234.054 241.835 1.00 0.00 0.035 C +ATOM 6880 CG LYS B 186 159.922 235.286 240.955 1.00 0.00 0.008 C +ATOM 6881 CD LYS B 186 160.948 236.252 241.541 1.00 0.00 0.061 C +ATOM 6882 CE LYS B 186 161.428 237.283 240.535 1.00 0.00 0.258 C +ATOM 6883 NZ LYS B 186 160.364 238.242 240.145 1.00 0.00 -0.357 N +ATOM 6884 HZ1 LYS B 186 160.683 238.828 239.556 1.00 0.00 0.345 HD +ATOM 6885 HZ2 LYS B 186 159.681 237.805 239.777 1.00 0.00 0.345 HD +ATOM 6886 HZ3 LYS B 186 160.073 238.681 240.862 1.00 0.00 0.345 HD +ATOM 6887 H LYS B 186 159.681 231.469 242.160 1.00 0.00 0.164 HD +ATOM 6888 C PHE B 187 158.853 233.339 237.147 1.00 0.00 0.243 C +ATOM 6889 O PHE B 187 159.167 234.517 237.302 1.00 0.00 -0.272 OA +ATOM 6890 CA PHE B 187 157.659 232.753 237.878 1.00 0.00 0.175 C +ATOM 6891 N PHE B 187 157.730 233.086 239.292 1.00 0.00 -0.343 N +ATOM 6892 CB PHE B 187 156.359 233.263 237.254 1.00 0.00 0.070 C +ATOM 6893 CG PHE B 187 156.313 233.125 235.757 1.00 0.00 -0.045 A +ATOM 6894 CD1 PHE B 187 156.018 231.907 235.169 1.00 0.00 0.004 A +ATOM 6895 CD2 PHE B 187 156.567 234.212 234.939 1.00 0.00 0.004 A +ATOM 6896 CE1 PHE B 187 155.976 231.776 233.795 1.00 0.00 0.000 A +ATOM 6897 CE2 PHE B 187 156.526 234.087 233.565 1.00 0.00 0.000 A +ATOM 6898 CZ PHE B 187 156.230 232.865 232.993 1.00 0.00 0.000 A +ATOM 6899 H PHE B 187 157.076 233.564 239.579 1.00 0.00 0.164 HD +ATOM 6900 C ILE B 188 160.315 232.919 234.092 1.00 0.00 0.243 C +ATOM 6901 O ILE B 188 160.159 231.849 233.510 1.00 0.00 -0.272 OA +ATOM 6902 CA ILE B 188 160.671 232.939 235.576 1.00 0.00 0.174 C +ATOM 6903 N ILE B 188 159.518 232.507 236.352 1.00 0.00 -0.343 N +ATOM 6904 CB ILE B 188 161.894 232.048 235.829 1.00 0.00 0.018 C +ATOM 6905 CG2 ILE B 188 163.080 232.525 234.989 1.00 0.00 0.010 C +ATOM 6906 CG1 ILE B 188 162.248 232.073 237.317 1.00 0.00 0.002 C +ATOM 6907 CD1 ILE B 188 163.382 231.150 237.703 1.00 0.00 0.004 C +ATOM 6908 H ILE B 188 159.317 231.678 236.245 1.00 0.00 0.164 HD +ATOM 6909 C PRO B 189 160.901 233.637 231.133 1.00 0.00 0.243 C +ATOM 6910 O PRO B 189 162.082 233.741 231.459 1.00 0.00 -0.271 OA +ATOM 6911 CA PRO B 189 159.798 234.141 232.055 1.00 0.00 0.175 C +ATOM 6912 N PRO B 189 160.181 234.104 233.470 1.00 0.00 -0.329 N +ATOM 6913 CB PRO B 189 159.517 235.627 231.814 1.00 0.00 0.037 C +ATOM 6914 CG PRO B 189 160.373 236.326 232.798 1.00 0.00 0.024 C +ATOM 6915 CD PRO B 189 160.384 235.458 234.015 1.00 0.00 0.121 C +ATOM 6916 C ASP B 190 162.169 233.848 228.362 1.00 0.00 0.242 C +ATOM 6917 O ASP B 190 161.509 234.721 227.806 1.00 0.00 -0.273 OA +ATOM 6918 CA ASP B 190 161.465 232.644 228.992 1.00 0.00 0.176 C +ATOM 6919 N ASP B 190 160.508 233.087 229.991 1.00 0.00 -0.343 N +ATOM 6920 CB ASP B 190 160.764 231.818 227.915 1.00 0.00 0.087 C +ATOM 6921 CG ASP B 190 161.654 231.541 226.724 1.00 0.00 0.044 C +ATOM 6922 OD1 ASP B 190 162.859 231.297 226.927 1.00 0.00 -0.548 OA +ATOM 6923 OD2 ASP B 190 161.154 231.579 225.586 1.00 0.00 -0.549 OA +ATOM 6924 H ASP B 190 159.686 232.960 229.771 1.00 0.00 0.164 HD +ATOM 6925 C PRO B 191 164.157 235.104 226.335 1.00 0.00 0.243 C +ATOM 6926 O PRO B 191 164.439 236.150 225.758 1.00 0.00 -0.271 OA +ATOM 6927 CA PRO B 191 164.186 235.069 227.862 1.00 0.00 0.175 C +ATOM 6928 N PRO B 191 163.512 233.897 228.430 1.00 0.00 -0.329 N +ATOM 6929 CB PRO B 191 165.632 234.931 228.368 1.00 0.00 0.037 C +ATOM 6930 CG PRO B 191 165.672 233.711 229.230 1.00 0.00 0.024 C +ATOM 6931 CD PRO B 191 164.474 232.901 228.931 1.00 0.00 0.121 C +ATOM 6932 C GLN B 192 162.362 234.469 223.793 1.00 0.00 0.242 C +ATOM 6933 O GLN B 192 162.125 234.664 222.601 1.00 0.00 -0.273 OA +ATOM 6934 CA GLN B 192 163.717 233.930 224.244 1.00 0.00 0.171 C +ATOM 6935 N GLN B 192 163.838 233.981 225.700 1.00 0.00 -0.343 N +ATOM 6936 CB GLN B 192 163.919 232.502 223.727 1.00 0.00 0.045 C +ATOM 6937 CG GLN B 192 165.371 232.043 223.757 1.00 0.00 0.102 C +ATOM 6938 CD GLN B 192 165.579 230.673 223.149 1.00 0.00 0.217 C +ATOM 6939 OE1 GLN B 192 166.253 229.826 223.730 1.00 0.00 -0.275 OA +ATOM 6940 NE2 GLN B 192 165.016 230.451 221.966 1.00 0.00 -0.368 N +ATOM 6941 HE22 GLN B 192 164.560 231.072 221.584 1.00 0.00 0.159 HD +ATOM 6942 HE21 GLN B 192 165.108 229.687 221.582 1.00 0.00 0.159 HD +ATOM 6943 H GLN B 192 163.686 233.230 226.090 1.00 0.00 0.164 HD +ATOM 6944 C GLY B 193 159.085 234.402 224.048 1.00 0.00 0.239 C +ATOM 6945 O GLY B 193 158.077 234.865 223.518 1.00 0.00 -0.273 OA +ATOM 6946 CA GLY B 193 160.200 235.340 224.474 1.00 0.00 0.216 C +ATOM 6947 N GLY B 193 161.472 234.701 224.751 1.00 0.00 -0.346 N +ATOM 6948 H GLY B 193 161.586 234.494 225.578 1.00 0.00 0.164 HD +ATOM 6949 C SER B 194 156.894 232.493 224.544 1.00 0.00 0.244 C +ATOM 6950 O SER B 194 156.836 232.880 225.710 1.00 0.00 -0.272 OA +ATOM 6951 CA SER B 194 158.232 232.116 223.926 1.00 0.00 0.197 C +ATOM 6952 N SER B 194 159.256 233.102 224.279 1.00 0.00 -0.342 N +ATOM 6953 CB SER B 194 158.629 230.714 224.396 1.00 0.00 0.191 C +ATOM 6954 OG SER B 194 159.894 230.330 223.890 1.00 0.00 -0.392 OA +ATOM 6955 HG SER B 194 160.483 230.868 224.152 1.00 0.00 0.210 HD +ATOM 6956 H SER B 194 159.958 232.762 224.640 1.00 0.00 0.164 HD +ATOM 6957 C ASN B 195 153.612 231.470 224.383 1.00 0.00 0.242 C +ATOM 6958 O ASN B 195 154.084 230.351 224.207 1.00 0.00 -0.273 OA +ATOM 6959 CA ASN B 195 154.490 232.713 224.231 1.00 0.00 0.180 C +ATOM 6960 N ASN B 195 155.827 232.378 223.759 1.00 0.00 -0.342 N +ATOM 6961 CB ASN B 195 153.835 233.727 223.288 1.00 0.00 0.134 C +ATOM 6962 CG ASN B 195 153.721 233.222 221.859 1.00 0.00 0.220 C +ATOM 6963 OD1 ASN B 195 153.795 232.022 221.595 1.00 0.00 -0.275 OA +ATOM 6964 ND2 ASN B 195 153.540 234.148 220.925 1.00 0.00 -0.368 N +ATOM 6965 HD22 ASN B 195 153.469 233.918 220.099 1.00 0.00 0.159 HD +ATOM 6966 HD21 ASN B 195 153.494 234.978 221.145 1.00 0.00 0.159 HD +ATOM 6967 H ASN B 195 155.852 232.106 222.943 1.00 0.00 0.164 HD +ATOM 6968 C MET B 196 151.042 229.834 223.679 1.00 0.00 0.242 C +ATOM 6969 O MET B 196 150.656 228.666 223.701 1.00 0.00 -0.272 OA +ATOM 6970 CA MET B 196 151.457 230.531 224.969 1.00 0.00 0.172 C +ATOM 6971 N MET B 196 152.340 231.663 224.714 1.00 0.00 -0.344 N +ATOM 6972 CB MET B 196 150.218 230.980 225.746 1.00 0.00 0.046 C +ATOM 6973 CG MET B 196 150.492 231.338 227.203 1.00 0.00 0.072 C +ATOM 6974 SD MET B 196 151.435 230.080 228.098 1.00 0.00 -0.165 SA +ATOM 6975 CE MET B 196 150.352 228.662 227.960 1.00 0.00 0.085 C +ATOM 6976 H MET B 196 151.967 232.433 224.799 1.00 0.00 0.164 HD +ATOM 6977 C MET B 197 152.002 228.846 221.060 1.00 0.00 0.242 C +ATOM 6978 O MET B 197 151.738 227.778 220.511 1.00 0.00 -0.272 OA +ATOM 6979 CA MET B 197 150.923 229.906 221.266 1.00 0.00 0.172 C +ATOM 6980 N MET B 197 151.119 230.542 222.558 1.00 0.00 -0.344 N +ATOM 6981 CB MET B 197 150.961 230.931 220.131 1.00 0.00 0.046 C +ATOM 6982 CG MET B 197 149.772 231.878 220.104 1.00 0.00 0.072 C +ATOM 6983 SD MET B 197 148.212 231.066 219.702 1.00 0.00 -0.165 SA +ATOM 6984 CE MET B 197 148.473 230.631 217.986 1.00 0.00 0.085 C +ATOM 6985 H MET B 197 151.282 231.386 222.520 1.00 0.00 0.164 HD +ATOM 6986 C PHE B 198 154.145 227.026 222.368 1.00 0.00 0.243 C +ATOM 6987 O PHE B 198 154.344 225.876 221.984 1.00 0.00 -0.272 OA +ATOM 6988 CA PHE B 198 154.327 228.205 221.416 1.00 0.00 0.175 C +ATOM 6989 N PHE B 198 153.216 229.145 221.516 1.00 0.00 -0.343 N +ATOM 6990 CB PHE B 198 155.661 228.903 221.708 1.00 0.00 0.070 C +ATOM 6991 CG PHE B 198 156.823 227.959 221.822 1.00 0.00 -0.045 A +ATOM 6992 CD1 PHE B 198 157.457 227.482 220.690 1.00 0.00 0.004 A +ATOM 6993 CD2 PHE B 198 157.274 227.540 223.062 1.00 0.00 0.004 A +ATOM 6994 CE1 PHE B 198 158.518 226.609 220.792 1.00 0.00 0.000 A +ATOM 6995 CE2 PHE B 198 158.335 226.666 223.166 1.00 0.00 0.000 A +ATOM 6996 CZ PHE B 198 158.956 226.201 222.031 1.00 0.00 0.000 A +ATOM 6997 H PHE B 198 153.422 229.891 221.891 1.00 0.00 0.164 HD +ATOM 6998 C ALA B 199 152.536 225.264 224.265 1.00 0.00 0.243 C +ATOM 6999 O ALA B 199 152.755 224.059 224.393 1.00 0.00 -0.272 OA +ATOM 7000 CA ALA B 199 153.616 226.286 224.626 1.00 0.00 0.168 C +ATOM 7001 N ALA B 199 153.762 227.318 223.606 1.00 0.00 -0.344 N +ATOM 7002 CB ALA B 199 153.307 226.920 225.972 1.00 0.00 0.041 C +ATOM 7003 H ALA B 199 153.580 228.111 223.882 1.00 0.00 0.164 HD +ATOM 7004 C PHE B 200 150.501 224.148 222.138 1.00 0.00 0.243 C +ATOM 7005 O PHE B 200 149.997 223.050 221.911 1.00 0.00 -0.272 OA +ATOM 7006 CA PHE B 200 150.279 224.835 223.480 1.00 0.00 0.175 C +ATOM 7007 N PHE B 200 151.378 225.736 223.816 1.00 0.00 -0.343 N +ATOM 7008 CB PHE B 200 148.944 225.583 223.469 1.00 0.00 0.070 C +ATOM 7009 CG PHE B 200 148.403 225.869 224.839 1.00 0.00 -0.045 A +ATOM 7010 CD1 PHE B 200 148.118 224.833 225.712 1.00 0.00 0.004 A +ATOM 7011 CD2 PHE B 200 148.177 227.168 225.254 1.00 0.00 0.004 A +ATOM 7012 CE1 PHE B 200 147.625 225.089 226.973 1.00 0.00 0.000 A +ATOM 7013 CE2 PHE B 200 147.679 227.427 226.514 1.00 0.00 0.000 A +ATOM 7014 CZ PHE B 200 147.404 226.385 227.374 1.00 0.00 0.000 A +ATOM 7015 H PHE B 200 151.202 226.570 223.697 1.00 0.00 0.164 HD +ATOM 7016 C PHE B 201 152.530 222.954 220.318 1.00 0.00 0.243 C +ATOM 7017 O PHE B 201 152.387 221.873 219.751 1.00 0.00 -0.272 OA +ATOM 7018 CA PHE B 201 151.617 224.131 220.002 1.00 0.00 0.175 C +ATOM 7019 N PHE B 201 151.248 224.786 221.246 1.00 0.00 -0.343 N +ATOM 7020 CB PHE B 201 152.309 225.089 219.038 1.00 0.00 0.070 C +ATOM 7021 CG PHE B 201 152.590 224.483 217.693 1.00 0.00 -0.045 A +ATOM 7022 CD1 PHE B 201 153.728 223.727 217.483 1.00 0.00 0.004 A +ATOM 7023 CD2 PHE B 201 151.706 224.659 216.643 1.00 0.00 0.004 A +ATOM 7024 CE1 PHE B 201 153.984 223.165 216.251 1.00 0.00 0.000 A +ATOM 7025 CE2 PHE B 201 151.958 224.099 215.409 1.00 0.00 0.000 A +ATOM 7026 CZ PHE B 201 153.099 223.349 215.214 1.00 0.00 0.000 A +ATOM 7027 H PHE B 201 151.550 225.587 221.336 1.00 0.00 0.164 HD +ATOM 7028 C ALA B 202 153.570 220.960 222.261 1.00 0.00 0.243 C +ATOM 7029 O ALA B 202 153.788 219.812 221.883 1.00 0.00 -0.272 OA +ATOM 7030 CA ALA B 202 154.364 222.131 221.693 1.00 0.00 0.168 C +ATOM 7031 N ALA B 202 153.466 223.180 221.232 1.00 0.00 -0.344 N +ATOM 7032 CB ALA B 202 155.328 222.678 222.736 1.00 0.00 0.041 C +ATOM 7033 H ALA B 202 153.603 223.943 221.605 1.00 0.00 0.164 HD +ATOM 7034 C GLN B 203 150.957 219.505 222.739 1.00 0.00 0.242 C +ATOM 7035 O GLN B 203 150.866 218.280 222.730 1.00 0.00 -0.273 OA +ATOM 7036 CA GLN B 203 151.818 220.217 223.778 1.00 0.00 0.171 C +ATOM 7037 N GLN B 203 152.637 221.255 223.162 1.00 0.00 -0.343 N +ATOM 7038 CB GLN B 203 150.928 220.810 224.870 1.00 0.00 0.045 C +ATOM 7039 CG GLN B 203 150.246 219.767 225.741 1.00 0.00 0.102 C +ATOM 7040 CD GLN B 203 149.232 220.368 226.697 1.00 0.00 0.217 C +ATOM 7041 OE1 GLN B 203 148.896 221.547 226.604 1.00 0.00 -0.275 OA +ATOM 7042 NE2 GLN B 203 148.739 219.555 227.623 1.00 0.00 -0.368 N +ATOM 7043 HE22 GLN B 203 148.998 218.735 227.658 1.00 0.00 0.159 HD +ATOM 7044 HE21 GLN B 203 148.161 219.847 228.189 1.00 0.00 0.159 HD +ATOM 7045 H GLN B 203 152.458 222.051 223.434 1.00 0.00 0.164 HD +ATOM 7046 C HIS B 204 150.181 218.831 219.875 1.00 0.00 0.242 C +ATOM 7047 O HIS B 204 149.784 217.690 219.635 1.00 0.00 -0.272 OA +ATOM 7048 CA HIS B 204 149.434 219.728 220.856 1.00 0.00 0.177 C +ATOM 7049 N HIS B 204 150.333 220.281 221.861 1.00 0.00 -0.343 N +ATOM 7050 CB HIS B 204 148.728 220.854 220.100 1.00 0.00 0.090 C +ATOM 7051 CG HIS B 204 147.714 220.374 219.110 1.00 0.00 0.037 A +ATOM 7052 ND1 HIS B 204 147.972 220.293 217.758 1.00 0.00 -0.347 N +ATOM 7053 CD2 HIS B 204 146.438 219.953 219.275 1.00 0.00 0.134 A +ATOM 7054 HD1 HIS B 204 148.716 220.503 217.380 1.00 0.00 0.167 HD +ATOM 7055 CE1 HIS B 204 146.899 219.841 217.135 1.00 0.00 0.196 A +ATOM 7056 NE2 HIS B 204 145.955 219.627 218.032 1.00 0.00 -0.245 NA +ATOM 7057 H HIS B 204 150.413 221.136 221.827 1.00 0.00 0.164 HD +ATOM 7058 C PHE B 205 152.645 217.352 218.824 1.00 0.00 0.243 C +ATOM 7059 O PHE B 205 152.517 216.312 218.186 1.00 0.00 -0.272 OA +ATOM 7060 CA PHE B 205 152.037 218.651 218.300 1.00 0.00 0.175 C +ATOM 7061 N PHE B 205 151.264 219.358 219.315 1.00 0.00 -0.343 N +ATOM 7062 CB PHE B 205 153.139 219.564 217.750 1.00 0.00 0.070 C +ATOM 7063 CG PHE B 205 154.178 218.849 216.936 1.00 0.00 -0.045 A +ATOM 7064 CD1 PHE B 205 153.861 218.299 215.706 1.00 0.00 0.004 A +ATOM 7065 CD2 PHE B 205 155.478 218.740 217.397 1.00 0.00 0.004 A +ATOM 7066 CE1 PHE B 205 154.821 217.646 214.959 1.00 0.00 0.000 A +ATOM 7067 CE2 PHE B 205 156.442 218.090 216.650 1.00 0.00 0.000 A +ATOM 7068 CZ PHE B 205 156.114 217.544 215.432 1.00 0.00 0.000 A +ATOM 7069 H PHE B 205 151.577 220.135 219.509 1.00 0.00 0.164 HD +ATOM 7070 C THR B 206 153.097 215.149 221.018 1.00 0.00 0.245 C +ATOM 7071 O THR B 206 153.488 213.984 221.085 1.00 0.00 -0.273 OA +ATOM 7072 CA THR B 206 154.020 216.241 220.488 1.00 0.00 0.199 C +ATOM 7073 N THR B 206 153.295 217.404 219.983 1.00 0.00 -0.341 N +ATOM 7074 CB THR B 206 155.005 216.615 221.618 1.00 0.00 0.143 C +ATOM 7075 CG2 THR B 206 156.002 217.665 221.151 1.00 0.00 0.041 C +ATOM 7076 OG1 THR B 206 154.283 217.090 222.763 1.00 0.00 -0.389 OA +ATOM 7077 HG1 THR B 206 153.834 217.770 222.557 1.00 0.00 0.211 HD +ATOM 7078 H THR B 206 153.332 218.096 220.493 1.00 0.00 0.164 HD +ATOM 7079 C HIS B 207 150.315 213.651 220.926 1.00 0.00 0.242 C +ATOM 7080 O HIS B 207 149.426 212.866 221.238 1.00 0.00 -0.272 OA +ATOM 7081 CA HIS B 207 150.954 214.549 221.977 1.00 0.00 0.177 C +ATOM 7082 N HIS B 207 151.876 215.516 221.390 1.00 0.00 -0.343 N +ATOM 7083 CB HIS B 207 149.878 215.262 222.790 1.00 0.00 0.093 C +ATOM 7084 CG HIS B 207 150.285 215.531 224.204 1.00 0.00 0.061 A +ATOM 7085 ND1 HIS B 207 151.475 216.145 224.530 1.00 0.00 -0.242 NA +ATOM 7086 CD2 HIS B 207 149.672 215.250 225.377 1.00 0.00 0.107 A +ATOM 7087 CE1 HIS B 207 151.572 216.240 225.844 1.00 0.00 0.196 A +ATOM 7088 NE2 HIS B 207 150.490 215.706 226.382 1.00 0.00 -0.350 N +ATOM 7089 HE2 HIS B 207 150.326 215.651 227.224 1.00 0.00 0.167 HD +ATOM 7090 H HIS B 207 151.557 216.311 221.314 1.00 0.00 0.164 HD +ATOM 7091 C GLN B 208 151.293 211.558 218.709 1.00 0.00 0.242 C +ATOM 7092 O GLN B 208 150.885 210.468 218.313 1.00 0.00 -0.273 OA +ATOM 7093 CA GLN B 208 150.369 212.778 218.677 1.00 0.00 0.171 C +ATOM 7094 N GLN B 208 150.774 213.747 219.684 1.00 0.00 -0.343 N +ATOM 7095 CB GLN B 208 150.349 213.408 217.285 1.00 0.00 0.045 C +ATOM 7096 CG GLN B 208 151.707 213.619 216.647 1.00 0.00 0.102 C +ATOM 7097 CD GLN B 208 151.609 214.446 215.382 1.00 0.00 0.217 C +ATOM 7098 OE1 GLN B 208 151.219 213.944 214.329 1.00 0.00 -0.275 OA +ATOM 7099 NE2 GLN B 208 151.946 215.723 215.484 1.00 0.00 -0.368 N +ATOM 7100 HE22 GLN B 208 152.203 216.042 216.240 1.00 0.00 0.159 HD +ATOM 7101 HE21 GLN B 208 151.907 216.235 214.793 1.00 0.00 0.159 HD +ATOM 7102 H GLN B 208 151.312 214.356 219.402 1.00 0.00 0.164 HD +ATOM 7103 C PHE B 209 153.916 210.320 220.745 1.00 0.00 0.243 C +ATOM 7104 O PHE B 209 154.504 209.272 221.005 1.00 0.00 -0.272 OA +ATOM 7105 CA PHE B 209 153.446 210.596 219.309 1.00 0.00 0.175 C +ATOM 7106 N PHE B 209 152.524 211.730 219.193 1.00 0.00 -0.343 N +ATOM 7107 CB PHE B 209 154.660 210.773 218.380 1.00 0.00 0.070 C +ATOM 7108 CG PHE B 209 155.313 212.124 218.434 1.00 0.00 -0.045 A +ATOM 7109 CD1 PHE B 209 156.074 212.504 219.523 1.00 0.00 0.004 A +ATOM 7110 CD2 PHE B 209 155.217 212.989 217.356 1.00 0.00 0.004 A +ATOM 7111 CE1 PHE B 209 156.693 213.736 219.553 1.00 0.00 0.000 A +ATOM 7112 CE2 PHE B 209 155.837 214.221 217.381 1.00 0.00 0.000 A +ATOM 7113 CZ PHE B 209 156.576 214.594 218.479 1.00 0.00 0.000 A +ATOM 7114 H PHE B 209 152.847 212.482 219.458 1.00 0.00 0.164 HD +ATOM 7115 C PHE B 210 152.401 210.541 223.633 1.00 0.00 0.243 C +ATOM 7116 O PHE B 210 151.614 211.405 224.017 1.00 0.00 -0.272 OA +ATOM 7117 CA PHE B 210 153.776 210.919 223.098 1.00 0.00 0.175 C +ATOM 7118 N PHE B 210 153.646 211.232 221.674 1.00 0.00 -0.343 N +ATOM 7119 CB PHE B 210 154.346 212.093 223.896 1.00 0.00 0.070 C +ATOM 7120 CG PHE B 210 155.735 212.492 223.492 1.00 0.00 -0.045 A +ATOM 7121 CD1 PHE B 210 156.659 211.547 223.081 1.00 0.00 0.004 A +ATOM 7122 CD2 PHE B 210 156.118 213.820 223.533 1.00 0.00 0.004 A +ATOM 7123 CE1 PHE B 210 157.935 211.925 222.716 1.00 0.00 0.000 A +ATOM 7124 CE2 PHE B 210 157.390 214.201 223.168 1.00 0.00 0.000 A +ATOM 7125 CZ PHE B 210 158.300 213.253 222.758 1.00 0.00 0.000 A +ATOM 7126 H PHE B 210 153.387 212.036 221.510 1.00 0.00 0.164 HD +ATOM 7127 C LYS B 211 150.981 207.511 224.916 1.00 0.00 0.242 C +ATOM 7128 O LYS B 211 150.681 206.383 224.528 1.00 0.00 -0.273 OA +ATOM 7129 CA LYS B 211 150.811 208.725 224.021 1.00 0.00 0.171 C +ATOM 7130 N LYS B 211 152.118 209.242 223.637 1.00 0.00 -0.344 N +ATOM 7131 CB LYS B 211 149.993 208.369 222.781 1.00 0.00 0.035 C +ATOM 7132 CG LYS B 211 149.569 209.581 221.973 1.00 0.00 0.008 C +ATOM 7133 CD LYS B 211 149.078 209.197 220.593 1.00 0.00 0.061 C +ATOM 7134 CE LYS B 211 147.859 208.314 220.656 1.00 0.00 0.258 C +ATOM 7135 NZ LYS B 211 147.409 207.929 219.296 1.00 0.00 -0.357 N +ATOM 7136 HZ1 LYS B 211 146.689 207.408 219.350 1.00 0.00 0.345 HD +ATOM 7137 HZ2 LYS B 211 147.205 208.657 218.826 1.00 0.00 0.345 HD +ATOM 7138 HZ3 LYS B 211 148.056 207.485 218.876 1.00 0.00 0.345 HD +ATOM 7139 H LYS B 211 152.679 208.629 223.416 1.00 0.00 0.164 HD +ATOM 7140 C THR B 212 150.608 205.868 227.437 1.00 0.00 0.245 C +ATOM 7141 O THR B 212 149.566 206.385 227.833 1.00 0.00 -0.273 OA +ATOM 7142 CA THR B 212 151.820 206.727 227.072 1.00 0.00 0.199 C +ATOM 7143 N THR B 212 151.471 207.770 226.122 1.00 0.00 -0.341 N +ATOM 7144 CB THR B 212 152.415 207.341 228.353 1.00 0.00 0.143 C +ATOM 7145 CG2 THR B 212 153.137 206.279 229.167 1.00 0.00 0.041 C +ATOM 7146 OG1 THR B 212 153.313 208.411 228.012 1.00 0.00 -0.389 OA +ATOM 7147 HG1 THR B 212 153.661 208.826 228.840 1.00 0.00 0.211 HD +ATOM 7148 H THR B 212 151.613 208.564 226.419 1.00 0.00 0.164 HD +ATOM 7149 C ASP B 213 149.793 203.178 229.064 1.00 0.00 0.242 C +ATOM 7150 O ASP B 213 150.451 202.189 229.380 1.00 0.00 -0.273 OA +ATOM 7151 CA ASP B 213 149.682 203.614 227.606 1.00 0.00 0.176 C +ATOM 7152 N ASP B 213 150.753 204.555 227.291 1.00 0.00 -0.343 N +ATOM 7153 CB ASP B 213 149.743 202.402 226.670 1.00 0.00 0.087 C +ATOM 7154 CG ASP B 213 148.534 201.487 226.807 1.00 0.00 0.044 C +ATOM 7155 OD1 ASP B 213 147.718 201.699 227.726 1.00 0.00 -0.548 OA +ATOM 7156 OD2 ASP B 213 148.402 200.550 225.992 1.00 0.00 -0.549 OA +ATOM 7157 H ASP B 213 151.472 204.178 227.008 1.00 0.00 0.164 HD +ATOM 7158 C HIS B 214 148.588 202.439 231.868 1.00 0.00 0.242 C +ATOM 7159 O HIS B 214 148.832 201.981 232.984 1.00 0.00 -0.272 OA +ATOM 7160 CA HIS B 214 149.305 203.696 231.383 1.00 0.00 0.177 C +ATOM 7161 N HIS B 214 149.142 203.918 229.953 1.00 0.00 -0.343 N +ATOM 7162 CB HIS B 214 148.821 204.920 232.158 1.00 0.00 0.093 C +ATOM 7163 CG HIS B 214 149.710 206.112 231.999 1.00 0.00 0.061 A +ATOM 7164 ND1 HIS B 214 151.032 206.109 232.390 1.00 0.00 -0.242 NA +ATOM 7165 CD2 HIS B 214 149.475 207.339 231.479 1.00 0.00 0.107 A +ATOM 7166 CE1 HIS B 214 151.570 207.285 232.125 1.00 0.00 0.196 A +ATOM 7167 NE2 HIS B 214 150.647 208.050 231.571 1.00 0.00 -0.350 N +ATOM 7168 HE2 HIS B 214 150.760 208.862 231.312 1.00 0.00 0.167 HD +ATOM 7169 H HIS B 214 148.600 204.556 229.753 1.00 0.00 0.164 HD +ATOM 7170 C LYS B 215 148.291 199.541 231.373 1.00 0.00 0.242 C +ATOM 7171 O LYS B 215 148.288 198.647 232.218 1.00 0.00 -0.273 OA +ATOM 7172 CA LYS B 215 147.157 200.557 231.302 1.00 0.00 0.171 C +ATOM 7173 N LYS B 215 147.711 201.881 231.038 1.00 0.00 -0.344 N +ATOM 7174 CB LYS B 215 146.152 200.149 230.220 1.00 0.00 0.035 C +ATOM 7175 CG LYS B 215 144.698 200.365 230.594 1.00 0.00 0.008 C +ATOM 7176 CD LYS B 215 144.389 201.836 230.826 1.00 0.00 0.061 C +ATOM 7177 CE LYS B 215 143.064 202.014 231.543 1.00 0.00 0.258 C +ATOM 7178 NZ LYS B 215 142.907 203.399 232.063 1.00 0.00 -0.357 N +ATOM 7179 HZ1 LYS B 215 142.124 203.480 232.479 1.00 0.00 0.345 HD +ATOM 7180 HZ2 LYS B 215 143.561 203.584 232.638 1.00 0.00 0.345 HD +ATOM 7181 HZ3 LYS B 215 142.940 203.981 231.391 1.00 0.00 0.345 HD +ATOM 7182 H LYS B 215 147.422 202.248 230.315 1.00 0.00 0.164 HD +ATOM 7183 C ARG B 216 151.554 199.208 231.272 1.00 0.00 0.242 C +ATOM 7184 O ARG B 216 152.182 198.380 231.929 1.00 0.00 -0.273 OA +ATOM 7185 CA ARG B 216 150.393 198.788 230.384 1.00 0.00 0.171 C +ATOM 7186 N ARG B 216 149.262 199.700 230.480 1.00 0.00 -0.344 N +ATOM 7187 CB ARG B 216 150.890 198.707 228.942 1.00 0.00 0.038 C +ATOM 7188 CG ARG B 216 149.867 198.237 227.928 1.00 0.00 0.040 C +ATOM 7189 CD ARG B 216 150.364 197.039 227.165 1.00 0.00 0.197 C +ATOM 7190 NE ARG B 216 149.966 197.035 225.761 1.00 0.00 -0.278 N +ATOM 7191 HE ARG B 216 149.695 197.776 225.418 1.00 0.00 0.260 HD +ATOM 7192 CZ ARG B 216 149.890 195.938 225.013 1.00 0.00 0.339 C +ATOM 7193 NH1 ARG B 216 150.167 194.747 225.535 1.00 0.00 -0.290 N +ATOM 7194 NH2 ARG B 216 149.526 196.026 223.744 1.00 0.00 -0.290 N +ATOM 7195 HH12 ARG B 216 150.405 194.683 226.358 1.00 0.00 0.256 HD +ATOM 7196 HH11 ARG B 216 150.113 194.041 225.046 1.00 0.00 0.256 HD +ATOM 7197 HH22 ARG B 216 149.342 196.793 223.402 1.00 0.00 0.256 HD +ATOM 7198 HH21 ARG B 216 149.471 195.316 223.262 1.00 0.00 0.256 HD +ATOM 7199 H ARG B 216 149.287 200.342 229.908 1.00 0.00 0.164 HD +ATOM 7200 C GLY B 217 153.667 202.121 231.138 1.00 0.00 0.239 C +ATOM 7201 O GLY B 217 153.367 202.272 229.956 1.00 0.00 -0.273 OA +ATOM 7202 CA GLY B 217 152.999 201.040 231.963 1.00 0.00 0.216 C +ATOM 7203 N GLY B 217 151.849 200.502 231.261 1.00 0.00 -0.346 N +ATOM 7204 H GLY B 217 151.387 201.098 230.846 1.00 0.00 0.164 HD +ATOM 7205 C PRO B 218 156.115 203.590 229.895 1.00 0.00 0.243 C +ATOM 7206 O PRO B 218 156.454 204.439 229.073 1.00 0.00 -0.271 OA +ATOM 7207 CA PRO B 218 155.260 204.000 231.096 1.00 0.00 0.175 C +ATOM 7208 N PRO B 218 154.582 202.878 231.756 1.00 0.00 -0.329 N +ATOM 7209 CB PRO B 218 156.136 204.583 232.212 1.00 0.00 0.037 C +ATOM 7210 CG PRO B 218 156.283 203.499 233.205 1.00 0.00 0.024 C +ATOM 7211 CD PRO B 218 155.019 202.717 233.153 1.00 0.00 0.121 C +ATOM 7212 C ALA B 219 156.554 201.693 227.402 1.00 0.00 0.243 C +ATOM 7213 O ALA B 219 157.170 201.516 226.351 1.00 0.00 -0.272 OA +ATOM 7214 CA ALA B 219 157.305 201.815 228.722 1.00 0.00 0.168 C +ATOM 7215 N ALA B 219 156.452 202.309 229.797 1.00 0.00 -0.344 N +ATOM 7216 CB ALA B 219 157.900 200.469 229.103 1.00 0.00 0.041 C +ATOM 7217 H ALA B 219 156.197 201.699 230.347 1.00 0.00 0.164 HD +ATOM 7218 C PHE B 220 153.674 202.736 225.763 1.00 0.00 0.243 C +ATOM 7219 O PHE B 220 153.429 203.703 226.486 1.00 0.00 -0.272 OA +ATOM 7220 CA PHE B 220 154.381 201.501 226.314 1.00 0.00 0.175 C +ATOM 7221 N PHE B 220 155.230 201.792 227.463 1.00 0.00 -0.343 N +ATOM 7222 CB PHE B 220 153.352 200.438 226.698 1.00 0.00 0.070 C +ATOM 7223 CG PHE B 220 153.966 199.143 227.135 1.00 0.00 -0.045 A +ATOM 7224 CD1 PHE B 220 154.226 198.901 228.473 1.00 0.00 0.004 A +ATOM 7225 CD2 PHE B 220 154.305 198.173 226.206 1.00 0.00 0.004 A +ATOM 7226 CE1 PHE B 220 154.799 197.709 228.879 1.00 0.00 0.000 A +ATOM 7227 CE2 PHE B 220 154.878 196.979 226.604 1.00 0.00 0.000 A +ATOM 7228 CZ PHE B 220 155.127 196.747 227.943 1.00 0.00 0.000 A +ATOM 7229 H PHE B 220 154.795 202.028 228.166 1.00 0.00 0.164 HD +ATOM 7230 C THR B 221 151.503 203.347 222.977 1.00 0.00 0.245 C +ATOM 7231 O THR B 221 151.442 202.201 222.531 1.00 0.00 -0.273 OA +ATOM 7232 CA THR B 221 152.710 203.804 223.785 1.00 0.00 0.199 C +ATOM 7233 N THR B 221 153.348 202.688 224.474 1.00 0.00 -0.341 N +ATOM 7234 CB THR B 221 153.700 204.523 222.836 1.00 0.00 0.143 C +ATOM 7235 CG2 THR B 221 154.244 203.566 221.779 1.00 0.00 0.041 C +ATOM 7236 OG1 THR B 221 153.041 205.618 222.188 1.00 0.00 -0.389 OA +ATOM 7237 HG1 THR B 221 152.763 206.166 222.761 1.00 0.00 0.211 HD +ATOM 7238 H THR B 221 153.490 202.006 223.969 1.00 0.00 0.164 HD +ATOM 7239 C ASN B 222 149.598 204.577 220.531 1.00 0.00 0.242 C +ATOM 7240 O ASN B 222 148.768 204.363 219.648 1.00 0.00 -0.273 OA +ATOM 7241 CA ASN B 222 149.396 204.012 221.933 1.00 0.00 0.180 C +ATOM 7242 N ASN B 222 150.546 204.253 222.796 1.00 0.00 -0.342 N +ATOM 7243 CB ASN B 222 148.132 204.620 222.543 1.00 0.00 0.134 C +ATOM 7244 CG ASN B 222 147.657 203.866 223.764 1.00 0.00 0.220 C +ATOM 7245 OD1 ASN B 222 147.619 202.637 223.774 1.00 0.00 -0.275 OA +ATOM 7246 ND2 ASN B 222 147.302 204.600 224.809 1.00 0.00 -0.368 N +ATOM 7247 HD22 ASN B 222 147.024 204.219 225.528 1.00 0.00 0.159 HD +ATOM 7248 HD21 ASN B 222 147.349 205.458 224.767 1.00 0.00 0.159 HD +ATOM 7249 H ASN B 222 150.541 205.027 223.170 1.00 0.00 0.164 HD +ATOM 7250 C GLY B 223 151.838 204.994 218.183 1.00 0.00 0.239 C +ATOM 7251 O GLY B 223 153.050 205.176 218.050 1.00 0.00 -0.273 OA +ATOM 7252 CA GLY B 223 151.006 205.913 219.055 1.00 0.00 0.216 C +ATOM 7253 N GLY B 223 150.696 205.304 220.337 1.00 0.00 -0.346 N +ATOM 7254 H GLY B 223 151.284 205.460 220.945 1.00 0.00 0.164 HD +ATOM 7255 C LEU B 224 152.351 203.477 215.459 1.00 0.00 0.243 C +ATOM 7256 O LEU B 224 153.017 202.748 214.724 1.00 0.00 -0.272 OA +ATOM 7257 CA LEU B 224 151.865 202.974 216.815 1.00 0.00 0.172 C +ATOM 7258 N LEU B 224 151.180 204.009 217.579 1.00 0.00 -0.345 N +ATOM 7259 CB LEU B 224 150.944 201.769 216.629 1.00 0.00 0.038 C +ATOM 7260 CG LEU B 224 150.392 201.155 217.922 1.00 0.00 -0.015 C +ATOM 7261 CD1 LEU B 224 149.526 199.951 217.603 1.00 0.00 0.007 C +ATOM 7262 CD2 LEU B 224 151.509 200.767 218.886 1.00 0.00 0.007 C +ATOM 7263 H LEU B 224 150.325 203.918 217.597 1.00 0.00 0.165 HD +ATOM 7264 C GLY B 225 153.954 205.853 214.187 1.00 0.00 0.239 C +ATOM 7265 O GLY B 225 154.727 206.047 213.250 1.00 0.00 -0.273 OA +ATOM 7266 CA GLY B 225 152.540 205.358 213.940 1.00 0.00 0.216 C +ATOM 7267 N GLY B 225 152.008 204.716 215.127 1.00 0.00 -0.346 N +ATOM 7268 H GLY B 225 151.466 205.208 215.578 1.00 0.00 0.164 HD +ATOM 7269 C HIS B 226 156.138 207.672 215.100 1.00 0.00 0.242 C +ATOM 7270 O HIS B 226 157.237 207.639 214.546 1.00 0.00 -0.272 OA +ATOM 7271 CA HIS B 226 155.612 206.476 215.888 1.00 0.00 0.177 C +ATOM 7272 N HIS B 226 154.278 206.060 215.460 1.00 0.00 -0.343 N +ATOM 7273 CB HIS B 226 156.586 205.301 215.782 1.00 0.00 0.093 C +ATOM 7274 CG HIS B 226 156.419 204.290 216.871 1.00 0.00 0.061 A +ATOM 7275 ND1 HIS B 226 157.077 204.386 218.077 1.00 0.00 -0.242 NA +ATOM 7276 CD2 HIS B 226 155.660 203.172 216.945 1.00 0.00 0.107 A +ATOM 7277 CE1 HIS B 226 156.737 203.368 218.844 1.00 0.00 0.196 A +ATOM 7278 NE2 HIS B 226 155.877 202.616 218.181 1.00 0.00 -0.350 N +ATOM 7279 HE2 HIS B 226 155.514 201.895 218.476 1.00 0.00 0.167 HD +ATOM 7280 H HIS B 226 153.727 205.963 216.113 1.00 0.00 0.164 HD +ATOM 7281 C GLY B 227 154.624 210.889 214.105 1.00 0.00 0.239 C +ATOM 7282 O GLY B 227 153.604 210.903 214.794 1.00 0.00 -0.273 OA +ATOM 7283 CA GLY B 227 155.773 209.960 214.418 1.00 0.00 0.216 C +ATOM 7284 N GLY B 227 155.347 208.737 215.063 1.00 0.00 -0.346 N +ATOM 7285 H GLY B 227 154.559 208.772 215.405 1.00 0.00 0.164 HD +ATOM 7286 C VAL B 228 152.834 212.154 211.658 1.00 0.00 0.243 C +ATOM 7287 O VAL B 228 152.956 212.396 210.459 1.00 0.00 -0.272 OA +ATOM 7288 CA VAL B 228 153.841 212.693 212.672 1.00 0.00 0.173 C +ATOM 7289 N VAL B 228 154.798 211.665 213.045 1.00 0.00 -0.343 N +ATOM 7290 CB VAL B 228 154.560 213.924 212.097 1.00 0.00 0.015 C +ATOM 7291 CG1 VAL B 228 153.578 215.066 211.871 1.00 0.00 0.010 C +ATOM 7292 CG2 VAL B 228 155.684 214.364 213.034 1.00 0.00 0.010 C +ATOM 7293 H VAL B 228 155.474 211.614 212.516 1.00 0.00 0.164 HD +ATOM 7294 C ASP B 229 149.482 211.639 211.482 1.00 0.00 0.242 C +ATOM 7295 O ASP B 229 148.493 211.366 210.805 1.00 0.00 -0.273 OA +ATOM 7296 CA ASP B 229 150.789 210.867 211.303 1.00 0.00 0.176 C +ATOM 7297 N ASP B 229 151.847 211.408 212.150 1.00 0.00 -0.343 N +ATOM 7298 CB ASP B 229 150.571 209.378 211.594 1.00 0.00 0.087 C +ATOM 7299 CG ASP B 229 150.200 209.100 213.040 1.00 0.00 0.044 C +ATOM 7300 OD1 ASP B 229 149.996 210.052 213.818 1.00 0.00 -0.548 OA +ATOM 7301 OD2 ASP B 229 150.102 207.908 213.395 1.00 0.00 -0.549 OA +ATOM 7302 H ASP B 229 151.768 211.199 212.980 1.00 0.00 0.164 HD +ATOM 7303 C LEU B 230 147.145 212.613 213.179 1.00 0.00 0.243 C +ATOM 7304 O LEU B 230 145.986 212.909 212.880 1.00 0.00 -0.272 OA +ATOM 7305 CA LEU B 230 148.333 213.444 212.674 1.00 0.00 0.172 C +ATOM 7306 N LEU B 230 149.492 212.601 212.399 1.00 0.00 -0.345 N +ATOM 7307 CB LEU B 230 147.953 214.256 211.425 1.00 0.00 0.038 C +ATOM 7308 CG LEU B 230 148.513 215.685 211.395 1.00 0.00 -0.015 C +ATOM 7309 CD1 LEU B 230 150.033 215.701 211.537 1.00 0.00 0.007 C +ATOM 7310 CD2 LEU B 230 148.087 216.387 210.124 1.00 0.00 0.007 C +ATOM 7311 H LEU B 230 150.175 212.790 212.886 1.00 0.00 0.165 HD +ATOM 7312 C ASN B 231 145.654 211.603 215.652 1.00 0.00 0.242 C +ATOM 7313 O ASN B 231 144.525 211.284 216.023 1.00 0.00 -0.273 OA +ATOM 7314 CA ASN B 231 146.395 210.789 214.596 1.00 0.00 0.180 C +ATOM 7315 N ASN B 231 147.441 211.581 213.964 1.00 0.00 -0.342 N +ATOM 7316 CB ASN B 231 146.981 209.530 215.234 1.00 0.00 0.134 C +ATOM 7317 CG ASN B 231 147.790 209.827 216.480 1.00 0.00 0.220 C +ATOM 7318 OD1 ASN B 231 147.247 209.912 217.579 1.00 0.00 -0.275 OA +ATOM 7319 ND2 ASN B 231 149.096 209.985 216.314 1.00 0.00 -0.368 N +ATOM 7320 HD22 ASN B 231 149.598 210.155 216.992 1.00 0.00 0.159 HD +ATOM 7321 HD21 ASN B 231 149.441 209.917 215.530 1.00 0.00 0.159 HD +ATOM 7322 H ASN B 231 148.241 211.320 214.145 1.00 0.00 0.164 HD +ATOM 7323 C HIS B 232 144.578 214.387 216.515 1.00 0.00 0.242 C +ATOM 7324 O HIS B 232 143.844 215.068 217.229 1.00 0.00 -0.272 OA +ATOM 7325 CA HIS B 232 145.676 213.515 217.137 1.00 0.00 0.177 C +ATOM 7326 N HIS B 232 146.297 212.657 216.140 1.00 0.00 -0.343 N +ATOM 7327 CB HIS B 232 146.730 214.379 217.838 1.00 0.00 0.093 C +ATOM 7328 CG HIS B 232 147.449 215.334 216.937 1.00 0.00 0.061 A +ATOM 7329 ND1 HIS B 232 147.640 215.104 215.592 1.00 0.00 -0.242 NA +ATOM 7330 CD2 HIS B 232 148.040 216.524 217.200 1.00 0.00 0.107 A +ATOM 7331 CE1 HIS B 232 148.310 216.113 215.064 1.00 0.00 0.196 A +ATOM 7332 NE2 HIS B 232 148.566 216.987 216.019 1.00 0.00 -0.350 N +ATOM 7333 HE2 HIS B 232 148.991 217.728 215.918 1.00 0.00 0.167 HD +ATOM 7334 H HIS B 232 147.091 212.896 215.911 1.00 0.00 0.164 HD +ATOM 7335 C ILE B 233 142.396 213.937 213.917 1.00 0.00 0.243 C +ATOM 7336 O ILE B 233 141.179 214.094 214.038 1.00 0.00 -0.272 OA +ATOM 7337 CA ILE B 233 143.374 214.979 214.459 1.00 0.00 0.174 C +ATOM 7338 N ILE B 233 144.467 214.339 215.189 1.00 0.00 -0.343 N +ATOM 7339 CB ILE B 233 143.901 215.826 213.281 1.00 0.00 0.018 C +ATOM 7340 CG2 ILE B 233 142.747 216.298 212.378 1.00 0.00 0.010 C +ATOM 7341 CG1 ILE B 233 144.678 217.035 213.798 1.00 0.00 0.002 C +ATOM 7342 CD1 ILE B 233 145.460 217.757 212.721 1.00 0.00 0.004 C +ATOM 7343 H ILE B 233 145.026 213.933 214.678 1.00 0.00 0.164 HD +ATOM 7344 C TYR B 234 141.821 210.632 213.368 1.00 0.00 0.243 C +ATOM 7345 O TYR B 234 140.979 209.840 212.955 1.00 0.00 -0.272 OA +ATOM 7346 CA TYR B 234 142.123 211.908 212.588 1.00 0.00 0.175 C +ATOM 7347 N TYR B 234 142.934 212.875 213.323 1.00 0.00 -0.343 N +ATOM 7348 CB TYR B 234 142.818 211.534 211.280 1.00 0.00 0.070 C +ATOM 7349 CG TYR B 234 143.099 212.714 210.387 1.00 0.00 -0.045 A +ATOM 7350 CD1 TYR B 234 142.071 213.363 209.713 1.00 0.00 0.007 A +ATOM 7351 CD2 TYR B 234 144.393 213.181 210.214 1.00 0.00 0.007 A +ATOM 7352 CE1 TYR B 234 142.331 214.444 208.894 1.00 0.00 0.046 A +ATOM 7353 CE2 TYR B 234 144.658 214.257 209.401 1.00 0.00 0.046 A +ATOM 7354 CZ TYR B 234 143.629 214.883 208.743 1.00 0.00 0.115 A +ATOM 7355 OH TYR B 234 143.914 215.955 207.937 1.00 0.00 -0.507 OA +ATOM 7356 HH TYR B 234 143.207 216.252 207.594 1.00 0.00 0.294 HD +ATOM 7357 H TYR B 234 143.774 212.691 213.331 1.00 0.00 0.164 HD +ATOM 7358 C GLY B 235 143.394 208.176 214.944 1.00 0.00 0.239 C +ATOM 7359 O GLY B 235 143.867 208.077 213.810 1.00 0.00 -0.273 OA +ATOM 7360 CA GLY B 235 142.347 209.226 215.272 1.00 0.00 0.216 C +ATOM 7361 N GLY B 235 142.509 210.434 214.485 1.00 0.00 -0.346 N +ATOM 7362 H GLY B 235 143.080 210.990 214.809 1.00 0.00 0.164 HD +ATOM 7363 C GLU B 236 144.258 205.202 214.935 1.00 0.00 0.242 C +ATOM 7364 O GLU B 236 144.964 204.741 214.040 1.00 0.00 -0.273 OA +ATOM 7365 CA GLU B 236 144.761 206.350 215.808 1.00 0.00 0.171 C +ATOM 7366 N GLU B 236 143.749 207.388 215.951 1.00 0.00 -0.344 N +ATOM 7367 CB GLU B 236 145.173 205.833 217.191 1.00 0.00 0.041 C +ATOM 7368 CG GLU B 236 146.192 204.701 217.187 1.00 0.00 0.055 C +ATOM 7369 CD GLU B 236 147.596 205.144 216.805 1.00 0.00 0.041 C +ATOM 7370 OE1 GLU B 236 147.928 206.341 216.964 1.00 0.00 -0.548 OA +ATOM 7371 OE2 GLU B 236 148.374 204.282 216.349 1.00 0.00 -0.549 OA +ATOM 7372 H GLU B 236 143.412 207.435 216.740 1.00 0.00 0.164 HD +ATOM 7373 C THR B 237 141.500 204.050 213.379 1.00 0.00 0.245 C +ATOM 7374 O THR B 237 140.998 205.176 213.382 1.00 0.00 -0.273 OA +ATOM 7375 CA THR B 237 142.459 203.614 214.481 1.00 0.00 0.199 C +ATOM 7376 N THR B 237 143.035 204.751 215.195 1.00 0.00 -0.341 N +ATOM 7377 CB THR B 237 141.700 202.679 215.439 1.00 0.00 0.143 C +ATOM 7378 CG2 THR B 237 142.582 202.284 216.616 1.00 0.00 0.041 C +ATOM 7379 OG1 THR B 237 140.519 203.333 215.919 1.00 0.00 -0.389 OA +ATOM 7380 HG1 THR B 237 140.102 202.825 216.442 1.00 0.00 0.211 HD +ATOM 7381 H THR B 237 142.512 205.091 215.787 1.00 0.00 0.164 HD +ATOM 7382 C LEU B 238 138.897 203.584 211.907 1.00 0.00 0.243 C +ATOM 7383 O LEU B 238 138.120 204.394 211.408 1.00 0.00 -0.272 OA +ATOM 7384 CA LEU B 238 140.307 203.418 211.358 1.00 0.00 0.172 C +ATOM 7385 N LEU B 238 141.248 203.148 212.436 1.00 0.00 -0.345 N +ATOM 7386 CB LEU B 238 140.334 202.297 210.321 1.00 0.00 0.038 C +ATOM 7387 CG LEU B 238 139.342 202.458 209.164 1.00 0.00 -0.015 C +ATOM 7388 CD1 LEU B 238 139.663 203.701 208.348 1.00 0.00 0.007 C +ATOM 7389 CD2 LEU B 238 139.332 201.220 208.281 1.00 0.00 0.007 C +ATOM 7390 H LEU B 238 141.610 202.369 212.398 1.00 0.00 0.165 HD +ATOM 7391 C ALA B 239 136.978 204.272 214.094 1.00 0.00 0.243 C +ATOM 7392 O ALA B 239 135.888 204.812 213.902 1.00 0.00 -0.272 OA +ATOM 7393 CA ALA B 239 137.257 202.873 213.560 1.00 0.00 0.168 C +ATOM 7394 N ALA B 239 138.573 202.808 212.935 1.00 0.00 -0.344 N +ATOM 7395 CB ALA B 239 137.154 201.851 214.678 1.00 0.00 0.041 C +ATOM 7396 H ALA B 239 139.101 202.231 213.292 1.00 0.00 0.164 HD +ATOM 7397 C ARG B 240 137.743 207.232 214.216 1.00 0.00 0.242 C +ATOM 7398 O ARG B 240 136.942 208.161 214.282 1.00 0.00 -0.273 OA +ATOM 7399 CA ARG B 240 137.809 206.190 215.326 1.00 0.00 0.171 C +ATOM 7400 N ARG B 240 137.966 204.857 214.761 1.00 0.00 -0.344 N +ATOM 7401 CB ARG B 240 138.954 206.511 216.289 1.00 0.00 0.038 C +ATOM 7402 CG ARG B 240 138.776 207.831 217.031 1.00 0.00 0.040 C +ATOM 7403 CD ARG B 240 139.764 207.970 218.176 1.00 0.00 0.197 C +ATOM 7404 NE ARG B 240 139.652 209.265 218.844 1.00 0.00 -0.278 N +ATOM 7405 HE ARG B 240 140.146 209.906 218.554 1.00 0.00 0.260 HD +ATOM 7406 CZ ARG B 240 138.842 209.526 219.867 1.00 0.00 0.339 C +ATOM 7407 NH1 ARG B 240 138.052 208.582 220.364 1.00 0.00 -0.290 N +ATOM 7408 NH2 ARG B 240 138.820 210.740 220.396 1.00 0.00 -0.290 N +ATOM 7409 HH12 ARG B 240 138.060 207.792 220.025 1.00 0.00 0.256 HD +ATOM 7410 HH11 ARG B 240 137.532 208.761 221.025 1.00 0.00 0.256 HD +ATOM 7411 HH22 ARG B 240 139.329 211.356 220.079 1.00 0.00 0.256 HD +ATOM 7412 HH21 ARG B 240 138.298 210.911 221.057 1.00 0.00 0.256 HD +ATOM 7413 H ARG B 240 138.737 204.503 214.900 1.00 0.00 0.164 HD +ATOM 7414 C GLN B 241 137.188 208.034 211.419 1.00 0.00 0.242 C +ATOM 7415 O GLN B 241 136.729 209.111 211.043 1.00 0.00 -0.273 OA +ATOM 7416 CA GLN B 241 138.578 207.947 212.035 1.00 0.00 0.171 C +ATOM 7417 N GLN B 241 138.586 207.068 213.200 1.00 0.00 -0.343 N +ATOM 7418 CB GLN B 241 139.578 207.455 210.986 1.00 0.00 0.045 C +ATOM 7419 CG GLN B 241 139.628 208.294 209.712 1.00 0.00 0.102 C +ATOM 7420 CD GLN B 241 140.259 207.560 208.545 1.00 0.00 0.217 C +ATOM 7421 OE1 GLN B 241 139.587 207.242 207.564 1.00 0.00 -0.275 OA +ATOM 7422 NE2 GLN B 241 141.554 207.294 208.639 1.00 0.00 -0.368 N +ATOM 7423 HE22 GLN B 241 141.994 207.538 209.337 1.00 0.00 0.159 HD +ATOM 7424 HE21 GLN B 241 141.955 206.879 208.001 1.00 0.00 0.159 HD +ATOM 7425 H GLN B 241 139.179 206.447 213.161 1.00 0.00 0.164 HD +ATOM 7426 C ARG B 242 134.150 207.536 211.493 1.00 0.00 0.242 C +ATOM 7427 O ARG B 242 133.205 208.087 210.934 1.00 0.00 -0.273 OA +ATOM 7428 CA ARG B 242 135.221 206.818 210.679 1.00 0.00 0.171 C +ATOM 7429 N ARG B 242 136.524 206.889 211.319 1.00 0.00 -0.344 N +ATOM 7430 CB ARG B 242 134.830 205.361 210.452 1.00 0.00 0.038 C +ATOM 7431 CG ARG B 242 135.600 204.711 209.321 1.00 0.00 0.040 C +ATOM 7432 CD ARG B 242 135.194 203.271 209.121 1.00 0.00 0.197 C +ATOM 7433 NE ARG B 242 135.758 202.726 207.893 1.00 0.00 -0.278 N +ATOM 7434 HE ARG B 242 136.323 203.210 207.461 1.00 0.00 0.260 HD +ATOM 7435 CZ ARG B 242 135.460 201.530 207.396 1.00 0.00 0.339 C +ATOM 7436 NH1 ARG B 242 134.593 200.742 208.020 1.00 0.00 -0.290 N +ATOM 7437 NH2 ARG B 242 136.027 201.123 206.271 1.00 0.00 -0.290 N +ATOM 7438 HH12 ARG B 242 134.223 201.004 208.751 1.00 0.00 0.256 HD +ATOM 7439 HH11 ARG B 242 134.403 199.970 207.695 1.00 0.00 0.256 HD +ATOM 7440 HH22 ARG B 242 136.589 201.632 205.864 1.00 0.00 0.256 HD +ATOM 7441 HH21 ARG B 242 135.834 200.350 205.947 1.00 0.00 0.256 HD +ATOM 7442 H ARG B 242 136.811 206.135 211.617 1.00 0.00 0.164 HD +ATOM 7443 C LYS B 243 133.515 209.760 213.491 1.00 0.00 0.242 C +ATOM 7444 O LYS B 243 132.531 210.489 213.591 1.00 0.00 -0.273 OA +ATOM 7445 CA LYS B 243 133.393 208.253 213.688 1.00 0.00 0.171 C +ATOM 7446 N LYS B 243 134.305 207.531 212.812 1.00 0.00 -0.344 N +ATOM 7447 CB LYS B 243 133.664 207.906 215.150 1.00 0.00 0.035 C +ATOM 7448 CG LYS B 243 133.310 206.486 215.536 1.00 0.00 0.008 C +ATOM 7449 CD LYS B 243 133.653 206.225 216.990 1.00 0.00 0.061 C +ATOM 7450 CE LYS B 243 133.060 204.917 217.482 1.00 0.00 0.258 C +ATOM 7451 NZ LYS B 243 133.412 204.659 218.904 1.00 0.00 -0.357 N +ATOM 7452 HZ1 LYS B 243 133.055 203.889 219.171 1.00 0.00 0.345 HD +ATOM 7453 HZ2 LYS B 243 134.297 204.615 218.995 1.00 0.00 0.345 HD +ATOM 7454 HZ3 LYS B 243 133.101 205.316 219.418 1.00 0.00 0.345 HD +ATOM 7455 H LYS B 243 134.934 207.115 213.226 1.00 0.00 0.164 HD +ATOM 7456 C LEU B 244 134.742 212.234 211.754 1.00 0.00 0.243 C +ATOM 7457 O LEU B 244 134.528 213.437 211.618 1.00 0.00 -0.272 OA +ATOM 7458 CA LEU B 244 135.010 211.652 213.136 1.00 0.00 0.172 C +ATOM 7459 N LEU B 244 134.730 210.221 213.215 1.00 0.00 -0.345 N +ATOM 7460 CB LEU B 244 136.462 211.924 213.528 1.00 0.00 0.038 C +ATOM 7461 CG LEU B 244 136.837 211.608 214.977 1.00 0.00 -0.015 C +ATOM 7462 CD1 LEU B 244 138.335 211.787 215.185 1.00 0.00 0.007 C +ATOM 7463 CD2 LEU B 244 136.049 212.480 215.945 1.00 0.00 0.007 C +ATOM 7464 H LEU B 244 135.415 209.722 213.068 1.00 0.00 0.165 HD +ATOM 7465 C ARG B 245 133.127 212.105 209.015 1.00 0.00 0.242 C +ATOM 7466 O ARG B 245 132.219 211.540 209.625 1.00 0.00 -0.273 OA +ATOM 7467 CA ARG B 245 134.590 211.850 209.363 1.00 0.00 0.171 C +ATOM 7468 N ARG B 245 134.757 211.385 210.734 1.00 0.00 -0.344 N +ATOM 7469 CB ARG B 245 135.193 210.838 208.388 1.00 0.00 0.038 C +ATOM 7470 CG ARG B 245 136.705 210.949 208.249 1.00 0.00 0.040 C +ATOM 7471 CD ARG B 245 137.266 209.849 207.364 1.00 0.00 0.197 C +ATOM 7472 NE ARG B 245 136.793 209.940 205.986 1.00 0.00 -0.278 N +ATOM 7473 HE ARG B 245 136.314 210.620 205.769 1.00 0.00 0.260 HD +ATOM 7474 CZ ARG B 245 137.054 209.038 205.044 1.00 0.00 0.339 C +ATOM 7475 NH1 ARG B 245 137.785 207.967 205.325 1.00 0.00 -0.290 N +ATOM 7476 NH2 ARG B 245 136.584 209.205 203.818 1.00 0.00 -0.290 N +ATOM 7477 HH12 ARG B 245 138.094 207.853 206.119 1.00 0.00 0.256 HD +ATOM 7478 HH11 ARG B 245 137.951 207.387 204.712 1.00 0.00 0.256 HD +ATOM 7479 HH22 ARG B 245 136.109 209.896 203.630 1.00 0.00 0.256 HD +ATOM 7480 HH21 ARG B 245 136.753 208.620 203.210 1.00 0.00 0.256 HD +ATOM 7481 H ARG B 245 134.862 210.535 210.809 1.00 0.00 0.164 HD +ATOM 7482 C LEU B 246 131.163 212.466 206.383 1.00 0.00 0.243 C +ATOM 7483 O LEU B 246 129.978 212.264 206.131 1.00 0.00 -0.272 OA +ATOM 7484 CA LEU B 246 131.575 213.324 207.571 1.00 0.00 0.172 C +ATOM 7485 N LEU B 246 132.914 212.970 208.029 1.00 0.00 -0.345 N +ATOM 7486 CB LEU B 246 131.518 214.805 207.193 1.00 0.00 0.038 C +ATOM 7487 CG LEU B 246 130.152 215.345 206.767 1.00 0.00 -0.015 C +ATOM 7488 CD1 LEU B 246 129.151 215.252 207.910 1.00 0.00 0.007 C +ATOM 7489 CD2 LEU B 246 130.282 216.778 206.277 1.00 0.00 0.007 C +ATOM 7490 H LEU B 246 133.541 213.372 207.600 1.00 0.00 0.165 HD +ATOM 7491 C PHE B 247 131.195 211.906 203.386 1.00 0.00 0.243 C +ATOM 7492 O PHE B 247 130.537 211.309 202.537 1.00 0.00 -0.272 OA +ATOM 7493 CA PHE B 247 131.958 211.147 204.467 1.00 0.00 0.175 C +ATOM 7494 N PHE B 247 132.162 211.973 205.656 1.00 0.00 -0.343 N +ATOM 7495 CB PHE B 247 131.252 209.840 204.837 1.00 0.00 0.070 C +ATOM 7496 CG PHE B 247 132.112 208.919 205.648 1.00 0.00 -0.045 A +ATOM 7497 CD1 PHE B 247 133.186 208.269 205.063 1.00 0.00 0.004 A +ATOM 7498 CD2 PHE B 247 131.872 208.726 206.996 1.00 0.00 0.004 A +ATOM 7499 CE1 PHE B 247 133.997 207.433 205.803 1.00 0.00 0.000 A +ATOM 7500 CE2 PHE B 247 132.678 207.889 207.742 1.00 0.00 0.000 A +ATOM 7501 CZ PHE B 247 133.744 207.243 207.142 1.00 0.00 0.000 A +ATOM 7502 H PHE B 247 132.992 212.108 205.838 1.00 0.00 0.164 HD +ATOM 7503 C LYS B 248 132.070 215.032 202.030 1.00 0.00 0.242 C +ATOM 7504 O LYS B 248 132.576 215.714 202.919 1.00 0.00 -0.273 OA +ATOM 7505 CA LYS B 248 130.905 214.100 202.343 1.00 0.00 0.171 C +ATOM 7506 N LYS B 248 131.308 213.229 203.436 1.00 0.00 -0.344 N +ATOM 7507 CB LYS B 248 129.652 214.905 202.703 1.00 0.00 0.035 C +ATOM 7508 CG LYS B 248 129.350 216.054 201.739 1.00 0.00 0.008 C +ATOM 7509 CD LYS B 248 128.098 216.824 202.133 1.00 0.00 0.061 C +ATOM 7510 CE LYS B 248 127.892 218.035 201.230 1.00 0.00 0.258 C +ATOM 7511 NZ LYS B 248 126.801 218.927 201.709 1.00 0.00 -0.357 N +ATOM 7512 HZ1 LYS B 248 126.711 219.620 201.158 1.00 0.00 0.345 HD +ATOM 7513 HZ2 LYS B 248 126.033 218.480 201.740 1.00 0.00 0.345 HD +ATOM 7514 HZ3 LYS B 248 126.992 219.229 202.525 1.00 0.00 0.345 HD +ATOM 7515 H LYS B 248 131.625 213.655 204.112 1.00 0.00 0.164 HD +ATOM 7516 C ASP B 249 134.871 215.779 201.064 1.00 0.00 0.242 C +ATOM 7517 O ASP B 249 135.667 216.712 201.149 1.00 0.00 -0.273 OA +ATOM 7518 CA ASP B 249 133.546 215.952 200.312 1.00 0.00 0.176 C +ATOM 7519 N ASP B 249 132.504 215.037 200.774 1.00 0.00 -0.343 N +ATOM 7520 CB ASP B 249 133.066 217.403 200.440 1.00 0.00 0.087 C +ATOM 7521 CG ASP B 249 131.836 217.689 199.597 1.00 0.00 0.044 C +ATOM 7522 OD1 ASP B 249 131.654 217.019 198.558 1.00 0.00 -0.548 OA +ATOM 7523 OD2 ASP B 249 131.054 218.587 199.971 1.00 0.00 -0.549 OA +ATOM 7524 H ASP B 249 132.208 214.513 200.160 1.00 0.00 0.164 HD +ATOM 7525 C GLY B 250 136.523 214.949 203.625 1.00 0.00 0.239 C +ATOM 7526 O GLY B 250 137.599 214.893 204.219 1.00 0.00 -0.273 OA +ATOM 7527 CA GLY B 250 136.352 214.276 202.276 1.00 0.00 0.216 C +ATOM 7528 N GLY B 250 135.101 214.585 201.604 1.00 0.00 -0.346 N +ATOM 7529 H GLY B 250 134.540 213.933 201.593 1.00 0.00 0.164 HD +ATOM 7530 C LYS B 251 135.367 215.701 206.619 1.00 0.00 0.242 C +ATOM 7531 O LYS B 251 134.943 214.548 206.664 1.00 0.00 -0.273 OA +ATOM 7532 CA LYS B 251 135.558 216.429 205.294 1.00 0.00 0.171 C +ATOM 7533 N LYS B 251 135.459 215.571 204.121 1.00 0.00 -0.344 N +ATOM 7534 CB LYS B 251 134.538 217.562 205.191 1.00 0.00 0.035 C +ATOM 7535 CG LYS B 251 134.801 218.501 204.030 1.00 0.00 0.008 C +ATOM 7536 CD LYS B 251 133.893 219.711 204.083 1.00 0.00 0.061 C +ATOM 7537 CE LYS B 251 134.240 220.699 202.990 1.00 0.00 0.258 C +ATOM 7538 NZ LYS B 251 133.342 221.880 203.008 1.00 0.00 -0.357 N +ATOM 7539 HZ1 LYS B 251 133.567 222.443 202.357 1.00 0.00 0.345 HD +ATOM 7540 HZ2 LYS B 251 132.498 221.622 202.888 1.00 0.00 0.345 HD +ATOM 7541 HZ3 LYS B 251 133.407 222.300 203.790 1.00 0.00 0.345 HD +ATOM 7542 H LYS B 251 134.665 215.511 203.795 1.00 0.00 0.164 HD +ATOM 7543 C MET B 252 134.259 216.570 209.624 1.00 0.00 0.242 C +ATOM 7544 O MET B 252 133.931 217.704 209.276 1.00 0.00 -0.272 OA +ATOM 7545 CA MET B 252 135.510 215.927 209.050 1.00 0.00 0.172 C +ATOM 7546 N MET B 252 135.706 216.405 207.692 1.00 0.00 -0.344 N +ATOM 7547 CB MET B 252 136.726 216.263 209.917 1.00 0.00 0.046 C +ATOM 7548 CG MET B 252 138.016 215.588 209.478 1.00 0.00 0.072 C +ATOM 7549 SD MET B 252 138.291 214.005 210.295 1.00 0.00 -0.165 SA +ATOM 7550 CE MET B 252 138.710 214.550 211.948 1.00 0.00 0.085 C +ATOM 7551 H MET B 252 136.062 217.187 207.655 1.00 0.00 0.164 HD +ATOM 7552 C LYS B 253 132.689 217.680 211.879 1.00 0.00 0.242 C +ATOM 7553 O LYS B 253 133.828 217.905 212.284 1.00 0.00 -0.273 OA +ATOM 7554 CA LYS B 253 132.364 216.393 211.137 1.00 0.00 0.171 C +ATOM 7555 N LYS B 253 133.557 215.853 210.498 1.00 0.00 -0.344 N +ATOM 7556 CB LYS B 253 131.754 215.380 212.105 1.00 0.00 0.035 C +ATOM 7557 CG LYS B 253 130.996 214.251 211.431 1.00 0.00 0.008 C +ATOM 7558 CD LYS B 253 130.189 213.471 212.445 1.00 0.00 0.061 C +ATOM 7559 CE LYS B 253 129.082 212.666 211.791 1.00 0.00 0.258 C +ATOM 7560 NZ LYS B 253 128.092 212.181 212.791 1.00 0.00 -0.357 N +ATOM 7561 HZ1 LYS B 253 127.454 211.712 212.384 1.00 0.00 0.345 HD +ATOM 7562 HZ2 LYS B 253 128.495 211.661 213.390 1.00 0.00 0.345 HD +ATOM 7563 HZ3 LYS B 253 127.720 212.872 213.211 1.00 0.00 0.345 HD +ATOM 7564 H LYS B 253 133.752 215.050 210.737 1.00 0.00 0.164 HD +ATOM 7565 C TYR B 254 130.534 220.355 213.221 1.00 0.00 0.243 C +ATOM 7566 O TYR B 254 129.466 219.871 212.852 1.00 0.00 -0.272 OA +ATOM 7567 CA TYR B 254 131.860 219.776 212.767 1.00 0.00 0.175 C +ATOM 7568 N TYR B 254 131.681 218.526 212.048 1.00 0.00 -0.343 N +ATOM 7569 CB TYR B 254 132.595 220.800 211.896 1.00 0.00 0.070 C +ATOM 7570 CG TYR B 254 131.887 221.150 210.605 1.00 0.00 -0.045 A +ATOM 7571 CD1 TYR B 254 130.962 222.184 210.553 1.00 0.00 0.007 A +ATOM 7572 CD2 TYR B 254 132.157 220.455 209.437 1.00 0.00 0.007 A +ATOM 7573 CE1 TYR B 254 130.322 222.509 209.373 1.00 0.00 0.046 A +ATOM 7574 CE2 TYR B 254 131.524 220.772 208.256 1.00 0.00 0.046 A +ATOM 7575 CZ TYR B 254 130.609 221.798 208.228 1.00 0.00 0.115 A +ATOM 7576 OH TYR B 254 129.980 222.109 207.048 1.00 0.00 -0.507 OA +ATOM 7577 HH TYR B 254 130.249 221.599 206.436 1.00 0.00 0.294 HD +ATOM 7578 H TYR B 254 130.882 218.398 211.756 1.00 0.00 0.164 HD +ATOM 7579 C GLN B 255 129.677 223.611 214.031 1.00 0.00 0.242 C +ATOM 7580 O GLN B 255 130.808 224.044 213.817 1.00 0.00 -0.273 OA +ATOM 7581 CA GLN B 255 129.480 222.169 214.468 1.00 0.00 0.171 C +ATOM 7582 N GLN B 255 130.630 221.397 214.036 1.00 0.00 -0.343 N +ATOM 7583 CB GLN B 255 129.307 222.082 215.985 1.00 0.00 0.045 C +ATOM 7584 CG GLN B 255 128.912 220.704 216.480 1.00 0.00 0.102 C +ATOM 7585 CD GLN B 255 128.694 220.662 217.978 1.00 0.00 0.217 C +ATOM 7586 OE1 GLN B 255 127.564 220.536 218.448 1.00 0.00 -0.275 OA +ATOM 7587 NE2 GLN B 255 129.779 220.764 218.737 1.00 0.00 -0.368 N +ATOM 7588 HE22 GLN B 255 130.553 220.848 218.372 1.00 0.00 0.159 HD +ATOM 7589 HE21 GLN B 255 129.707 220.746 219.594 1.00 0.00 0.159 HD +ATOM 7590 H GLN B 255 131.373 221.683 214.360 1.00 0.00 0.164 HD +ATOM 7591 C ILE B 256 128.081 226.476 214.879 1.00 0.00 0.243 C +ATOM 7592 O ILE B 256 126.883 226.433 215.140 1.00 0.00 -0.272 OA +ATOM 7593 CA ILE B 256 128.633 225.776 213.649 1.00 0.00 0.174 C +ATOM 7594 N ILE B 256 128.576 224.338 213.874 1.00 0.00 -0.343 N +ATOM 7595 CB ILE B 256 127.841 226.213 212.404 1.00 0.00 0.018 C +ATOM 7596 CG2 ILE B 256 127.925 227.732 212.225 1.00 0.00 0.010 C +ATOM 7597 CG1 ILE B 256 128.364 225.500 211.152 1.00 0.00 0.002 C +ATOM 7598 CD1 ILE B 256 129.814 225.805 210.812 1.00 0.00 0.004 C +ATOM 7599 H ILE B 256 127.777 224.019 213.894 1.00 0.00 0.164 HD +ATOM 7600 C ILE B 257 129.018 229.264 216.748 1.00 0.00 0.243 C +ATOM 7601 O ILE B 257 130.190 229.565 216.529 1.00 0.00 -0.272 OA +ATOM 7602 CA ILE B 257 128.597 227.807 216.857 1.00 0.00 0.174 C +ATOM 7603 N ILE B 257 128.970 227.105 215.638 1.00 0.00 -0.343 N +ATOM 7604 CB ILE B 257 129.237 227.156 218.093 1.00 0.00 0.018 C +ATOM 7605 CG2 ILE B 257 128.965 227.980 219.345 1.00 0.00 0.010 C +ATOM 7606 CG1 ILE B 257 128.686 225.741 218.281 1.00 0.00 0.002 C +ATOM 7607 CD1 ILE B 257 129.618 224.817 219.031 1.00 0.00 0.004 C +ATOM 7608 H ILE B 257 129.811 227.140 215.463 1.00 0.00 0.164 HD +ATOM 7609 C ASP B 258 128.991 231.881 215.420 1.00 0.00 0.242 C +ATOM 7610 O ASP B 258 129.938 232.663 215.382 1.00 0.00 -0.273 OA +ATOM 7611 CA ASP B 258 128.254 231.591 216.726 1.00 0.00 0.176 C +ATOM 7612 N ASP B 258 128.045 230.158 216.905 1.00 0.00 -0.343 N +ATOM 7613 CB ASP B 258 129.013 232.175 217.919 1.00 0.00 0.087 C +ATOM 7614 CG ASP B 258 128.171 232.214 219.185 1.00 0.00 0.044 C +ATOM 7615 OD1 ASP B 258 126.938 232.043 219.091 1.00 0.00 -0.548 OA +ATOM 7616 OD2 ASP B 258 128.741 232.428 220.274 1.00 0.00 -0.549 OA +ATOM 7617 H ASP B 258 127.238 229.954 217.119 1.00 0.00 0.164 HD +ATOM 7618 C GLY B 259 130.320 230.853 212.606 1.00 0.00 0.239 C +ATOM 7619 O GLY B 259 130.745 230.996 211.461 1.00 0.00 -0.273 OA +ATOM 7620 CA GLY B 259 129.022 231.524 213.016 1.00 0.00 0.216 C +ATOM 7621 N GLY B 259 128.548 231.226 214.354 1.00 0.00 -0.346 N +ATOM 7622 H GLY B 259 127.964 230.595 214.383 1.00 0.00 0.164 HD +ATOM 7623 C GLU B 260 132.298 228.016 213.417 1.00 0.00 0.242 C +ATOM 7624 O GLU B 260 131.469 227.434 214.110 1.00 0.00 -0.273 OA +ATOM 7625 CA GLU B 260 132.267 229.534 213.257 1.00 0.00 0.171 C +ATOM 7626 N GLU B 260 130.952 230.119 213.521 1.00 0.00 -0.344 N +ATOM 7627 CB GLU B 260 133.314 230.162 214.176 1.00 0.00 0.041 C +ATOM 7628 CG GLU B 260 133.483 231.658 213.975 1.00 0.00 0.055 C +ATOM 7629 CD GLU B 260 134.824 232.160 214.469 1.00 0.00 0.041 C +ATOM 7630 OE1 GLU B 260 135.854 231.813 213.853 1.00 0.00 -0.548 OA +ATOM 7631 OE2 GLU B 260 134.851 232.896 215.476 1.00 0.00 -0.549 OA +ATOM 7632 H GLU B 260 130.640 229.945 214.304 1.00 0.00 0.164 HD +ATOM 7633 C MET B 261 134.128 225.427 214.013 1.00 0.00 0.242 C +ATOM 7634 O MET B 261 135.203 225.912 214.360 1.00 0.00 -0.272 OA +ATOM 7635 CA MET B 261 133.403 225.937 212.772 1.00 0.00 0.172 C +ATOM 7636 N MET B 261 133.277 227.390 212.772 1.00 0.00 -0.344 N +ATOM 7637 CB MET B 261 134.140 225.470 211.514 1.00 0.00 0.046 C +ATOM 7638 CG MET B 261 134.350 223.963 211.441 1.00 0.00 0.072 C +ATOM 7639 SD MET B 261 135.262 223.447 209.977 1.00 0.00 -0.165 SA +ATOM 7640 CE MET B 261 134.098 223.869 208.685 1.00 0.00 0.085 C +ATOM 7641 H MET B 261 133.890 227.791 212.321 1.00 0.00 0.164 HD +ATOM 7642 C TYR B 262 134.032 222.280 215.673 1.00 0.00 0.243 C +ATOM 7643 O TYR B 262 133.290 221.778 214.830 1.00 0.00 -0.272 OA +ATOM 7644 CA TYR B 262 134.106 223.794 215.836 1.00 0.00 0.175 C +ATOM 7645 N TYR B 262 133.520 224.445 214.671 1.00 0.00 -0.343 N +ATOM 7646 CB TYR B 262 133.388 224.228 217.113 1.00 0.00 0.070 C +ATOM 7647 CG TYR B 262 133.744 225.622 217.569 1.00 0.00 -0.045 A +ATOM 7648 CD1 TYR B 262 132.978 226.717 217.190 1.00 0.00 0.007 A +ATOM 7649 CD2 TYR B 262 134.844 225.842 218.382 1.00 0.00 0.007 A +ATOM 7650 CE1 TYR B 262 133.303 227.991 217.610 1.00 0.00 0.046 A +ATOM 7651 CE2 TYR B 262 135.176 227.110 218.805 1.00 0.00 0.046 A +ATOM 7652 CZ TYR B 262 134.405 228.181 218.418 1.00 0.00 0.115 A +ATOM 7653 OH TYR B 262 134.743 229.445 218.843 1.00 0.00 -0.507 OA +ATOM 7654 HH TYR B 262 135.430 229.413 219.324 1.00 0.00 0.294 HD +ATOM 7655 H TYR B 262 132.748 224.132 214.456 1.00 0.00 0.164 HD +ATOM 7656 C PRO B 263 133.364 219.559 216.842 1.00 0.00 0.243 C +ATOM 7657 O PRO B 263 132.652 220.270 217.551 1.00 0.00 -0.271 OA +ATOM 7658 CA PRO B 263 134.720 220.080 216.378 1.00 0.00 0.175 C +ATOM 7659 N PRO B 263 134.812 221.541 216.473 1.00 0.00 -0.329 N +ATOM 7660 CB PRO B 263 135.848 219.586 217.294 1.00 0.00 0.037 C +ATOM 7661 CG PRO B 263 136.256 220.756 218.116 1.00 0.00 0.024 C +ATOM 7662 CD PRO B 263 135.914 221.980 217.344 1.00 0.00 0.121 C +ATOM 7663 C PRO B 264 131.783 217.216 218.258 1.00 0.00 0.243 C +ATOM 7664 O PRO B 264 132.820 217.348 218.908 1.00 0.00 -0.271 OA +ATOM 7665 CA PRO B 264 131.737 217.718 216.822 1.00 0.00 0.175 C +ATOM 7666 N PRO B 264 133.012 218.328 216.440 1.00 0.00 -0.329 N +ATOM 7667 CB PRO B 264 131.599 216.564 215.832 1.00 0.00 0.037 C +ATOM 7668 CG PRO B 264 133.008 216.139 215.596 1.00 0.00 0.024 C +ATOM 7669 CD PRO B 264 133.842 217.399 215.652 1.00 0.00 0.121 C +ATOM 7670 C THR B 265 130.796 214.652 220.195 1.00 0.00 0.245 C +ATOM 7671 O THR B 265 130.745 213.950 219.186 1.00 0.00 -0.273 OA +ATOM 7672 CA THR B 265 130.622 216.163 220.114 1.00 0.00 0.199 C +ATOM 7673 N THR B 265 130.686 216.643 218.740 1.00 0.00 -0.341 N +ATOM 7674 CB THR B 265 129.285 216.532 220.781 1.00 0.00 0.143 C +ATOM 7675 CG2 THR B 265 129.043 218.030 220.703 1.00 0.00 0.041 C +ATOM 7676 OG1 THR B 265 128.215 215.833 220.133 1.00 0.00 -0.389 OA +ATOM 7677 HG1 THR B 265 127.483 216.031 220.493 1.00 0.00 0.211 HD +ATOM 7678 H THR B 265 129.963 216.521 218.290 1.00 0.00 0.164 HD +ATOM 7679 C VAL B 266 129.719 212.088 221.278 1.00 0.00 0.243 C +ATOM 7680 O VAL B 266 129.718 210.991 220.722 1.00 0.00 -0.272 OA +ATOM 7681 CA VAL B 266 131.036 212.741 221.691 1.00 0.00 0.173 C +ATOM 7682 N VAL B 266 131.006 214.168 221.413 1.00 0.00 -0.343 N +ATOM 7683 CB VAL B 266 131.304 212.475 223.188 1.00 0.00 0.015 C +ATOM 7684 CG1 VAL B 266 131.150 210.992 223.526 1.00 0.00 0.010 C +ATOM 7685 CG2 VAL B 266 132.691 212.967 223.565 1.00 0.00 0.010 C +ATOM 7686 H VAL B 266 131.137 214.658 222.108 1.00 0.00 0.164 HD +ATOM 7687 C LYS B 267 127.129 211.985 219.743 1.00 0.00 0.242 C +ATOM 7688 O LYS B 267 126.725 210.897 219.339 1.00 0.00 -0.273 OA +ATOM 7689 CA LYS B 267 127.278 212.255 221.232 1.00 0.00 0.171 C +ATOM 7690 N LYS B 267 128.608 212.767 221.557 1.00 0.00 -0.344 N +ATOM 7691 CB LYS B 267 126.198 213.247 221.688 1.00 0.00 0.035 C +ATOM 7692 CG LYS B 267 124.779 212.978 221.145 1.00 0.00 0.008 C +ATOM 7693 CD LYS B 267 123.883 212.321 222.173 1.00 0.00 0.061 C +ATOM 7694 CE LYS B 267 122.963 213.337 222.830 1.00 0.00 0.258 C +ATOM 7695 NZ LYS B 267 122.177 212.730 223.935 1.00 0.00 -0.357 N +ATOM 7696 HZ1 LYS B 267 121.647 213.344 224.303 1.00 0.00 0.345 HD +ATOM 7697 HZ2 LYS B 267 121.675 212.065 223.622 1.00 0.00 0.345 HD +ATOM 7698 HZ3 LYS B 267 122.726 212.410 224.558 1.00 0.00 0.345 HD +ATOM 7699 H LYS B 267 128.599 213.538 221.939 1.00 0.00 0.164 HD +ATOM 7700 C ASP B 268 128.180 211.925 216.819 1.00 0.00 0.242 C +ATOM 7701 O ASP B 268 127.801 211.254 215.859 1.00 0.00 -0.273 OA +ATOM 7702 CA ASP B 268 127.229 212.911 217.496 1.00 0.00 0.176 C +ATOM 7703 N ASP B 268 127.444 212.989 218.934 1.00 0.00 -0.343 N +ATOM 7704 CB ASP B 268 127.380 214.304 216.877 1.00 0.00 0.087 C +ATOM 7705 CG ASP B 268 127.062 214.325 215.399 1.00 0.00 0.044 C +ATOM 7706 OD1 ASP B 268 125.871 214.210 215.039 1.00 0.00 -0.548 OA +ATOM 7707 OD2 ASP B 268 128.001 214.475 214.595 1.00 0.00 -0.549 OA +ATOM 7708 H ASP B 268 127.787 213.732 219.197 1.00 0.00 0.164 HD +ATOM 7709 C THR B 269 130.498 209.582 217.304 1.00 0.00 0.245 C +ATOM 7710 O THR B 269 130.835 208.630 216.603 1.00 0.00 -0.273 OA +ATOM 7711 CA THR B 269 130.434 210.987 216.711 1.00 0.00 0.199 C +ATOM 7712 N THR B 269 129.408 211.830 217.325 1.00 0.00 -0.341 N +ATOM 7713 CB THR B 269 131.837 211.611 216.850 1.00 0.00 0.143 C +ATOM 7714 CG2 THR B 269 131.873 212.997 216.236 1.00 0.00 0.041 C +ATOM 7715 OG1 THR B 269 132.198 211.687 218.236 1.00 0.00 -0.389 OA +ATOM 7716 HG1 THR B 269 131.644 212.162 218.651 1.00 0.00 0.211 HD +ATOM 7717 H THR B 269 129.675 212.247 218.028 1.00 0.00 0.164 HD +ATOM 7718 C GLN B 270 131.844 207.946 219.587 1.00 0.00 0.242 C +ATOM 7719 O GLN B 270 132.211 206.838 219.967 1.00 0.00 -0.273 OA +ATOM 7720 CA GLN B 270 130.361 208.239 219.372 1.00 0.00 0.171 C +ATOM 7721 N GLN B 270 130.174 209.469 218.591 1.00 0.00 -0.343 N +ATOM 7722 CB GLN B 270 129.675 207.035 218.709 1.00 0.00 0.045 C +ATOM 7723 CG GLN B 270 128.164 207.142 218.655 1.00 0.00 0.102 C +ATOM 7724 CD GLN B 270 127.541 207.261 220.033 1.00 0.00 0.217 C +ATOM 7725 OE1 GLN B 270 126.593 208.022 220.233 1.00 0.00 -0.275 OA +ATOM 7726 NE2 GLN B 270 128.069 206.509 220.993 1.00 0.00 -0.368 N +ATOM 7727 HE22 GLN B 270 128.730 205.988 220.816 1.00 0.00 0.159 HD +ATOM 7728 HE21 GLN B 270 127.749 206.543 221.790 1.00 0.00 0.159 HD +ATOM 7729 H GLN B 270 129.832 210.111 219.050 1.00 0.00 0.164 HD +ATOM 7730 C ALA B 271 134.417 209.219 221.061 1.00 0.00 0.243 C +ATOM 7731 O ALA B 271 134.204 210.363 221.459 1.00 0.00 -0.272 OA +ATOM 7732 CA ALA B 271 134.116 208.829 219.617 1.00 0.00 0.168 C +ATOM 7733 N ALA B 271 132.687 208.949 219.356 1.00 0.00 -0.344 N +ATOM 7734 CB ALA B 271 134.907 209.695 218.653 1.00 0.00 0.041 C +ATOM 7735 H ALA B 271 132.453 209.717 219.046 1.00 0.00 0.164 HD +ATOM 7736 C GLU B 272 136.177 209.577 223.518 1.00 0.00 0.242 C +ATOM 7737 O GLU B 272 137.116 209.762 222.742 1.00 0.00 -0.273 OA +ATOM 7738 CA GLU B 272 135.149 208.478 223.264 1.00 0.00 0.171 C +ATOM 7739 N GLU B 272 134.907 208.263 221.841 1.00 0.00 -0.344 N +ATOM 7740 CB GLU B 272 135.611 207.176 223.925 1.00 0.00 0.041 C +ATOM 7741 CG GLU B 272 134.509 206.138 224.093 1.00 0.00 0.055 C +ATOM 7742 CD GLU B 272 134.966 204.918 224.868 1.00 0.00 0.041 C +ATOM 7743 OE1 GLU B 272 134.100 204.125 225.293 1.00 0.00 -0.548 OA +ATOM 7744 OE2 GLU B 272 136.190 204.751 225.052 1.00 0.00 -0.549 OA +ATOM 7745 H GLU B 272 135.109 207.472 221.569 1.00 0.00 0.164 HD +ATOM 7746 C MET B 273 137.043 211.286 226.567 1.00 0.00 0.242 C +ATOM 7747 O MET B 273 136.165 210.781 227.261 1.00 0.00 -0.272 OA +ATOM 7748 CA MET B 273 136.898 211.345 225.051 1.00 0.00 0.172 C +ATOM 7749 N MET B 273 135.976 210.306 224.611 1.00 0.00 -0.344 N +ATOM 7750 CB MET B 273 136.408 212.731 224.632 1.00 0.00 0.046 C +ATOM 7751 CG MET B 273 136.414 212.994 223.129 1.00 0.00 0.072 C +ATOM 7752 SD MET B 273 138.048 213.280 222.414 1.00 0.00 -0.165 SA +ATOM 7753 CE MET B 273 138.615 214.708 223.331 1.00 0.00 0.085 C +ATOM 7754 H MET B 273 135.293 210.215 225.126 1.00 0.00 0.164 HD +ATOM 7755 C ILE B 274 137.795 213.209 229.032 1.00 0.00 0.243 C +ATOM 7756 O ILE B 274 138.338 214.281 228.770 1.00 0.00 -0.272 OA +ATOM 7757 CA ILE B 274 138.370 211.897 228.511 1.00 0.00 0.174 C +ATOM 7758 N ILE B 274 138.157 211.802 227.074 1.00 0.00 -0.343 N +ATOM 7759 CB ILE B 274 139.866 211.814 228.876 1.00 0.00 0.018 C +ATOM 7760 CG2 ILE B 274 140.048 211.756 230.385 1.00 0.00 0.010 C +ATOM 7761 CG1 ILE B 274 140.518 210.600 228.204 1.00 0.00 0.002 C +ATOM 7762 CD1 ILE B 274 139.855 209.276 228.519 1.00 0.00 0.004 C +ATOM 7763 H ILE B 274 138.809 212.106 226.603 1.00 0.00 0.164 HD +ATOM 7764 C TYR B 275 135.595 213.989 231.781 1.00 0.00 0.243 C +ATOM 7765 O TYR B 275 135.059 212.915 232.046 1.00 0.00 -0.272 OA +ATOM 7766 CA TYR B 275 136.058 214.287 230.359 1.00 0.00 0.175 C +ATOM 7767 N TYR B 275 136.690 213.116 229.766 1.00 0.00 -0.343 N +ATOM 7768 CB TYR B 275 134.866 214.747 229.518 1.00 0.00 0.070 C +ATOM 7769 CG TYR B 275 135.236 215.547 228.289 1.00 0.00 -0.045 A +ATOM 7770 CD1 TYR B 275 135.761 216.828 228.403 1.00 0.00 0.007 A +ATOM 7771 CD2 TYR B 275 135.044 215.029 227.017 1.00 0.00 0.007 A +ATOM 7772 CE1 TYR B 275 136.094 217.564 227.285 1.00 0.00 0.046 A +ATOM 7773 CE2 TYR B 275 135.374 215.761 225.895 1.00 0.00 0.046 A +ATOM 7774 CZ TYR B 275 135.897 217.026 226.036 1.00 0.00 0.115 A +ATOM 7775 OH TYR B 275 136.226 217.756 224.923 1.00 0.00 -0.507 OA +ATOM 7776 HH TYR B 275 136.057 217.313 224.229 1.00 0.00 0.294 HD +ATOM 7777 H TYR B 275 136.284 212.377 229.936 1.00 0.00 0.164 HD +ATOM 7778 C PRO B 276 133.688 214.852 233.978 1.00 0.00 0.243 C +ATOM 7779 O PRO B 276 133.167 215.488 233.062 1.00 0.00 -0.271 OA +ATOM 7780 CA PRO B 276 135.213 214.749 234.035 1.00 0.00 0.175 C +ATOM 7781 N PRO B 276 135.806 214.936 232.708 1.00 0.00 -0.329 N +ATOM 7782 CB PRO B 276 135.822 215.886 234.860 1.00 0.00 0.037 C +ATOM 7783 CG PRO B 276 136.287 216.890 233.868 1.00 0.00 0.024 C +ATOM 7784 CD PRO B 276 136.672 216.126 232.649 1.00 0.00 0.121 C +ATOM 7785 C PRO B 277 130.870 215.607 234.874 1.00 0.00 0.243 C +ATOM 7786 O PRO B 277 129.756 215.739 234.366 1.00 0.00 -0.271 OA +ATOM 7787 CA PRO B 277 131.511 214.221 234.946 1.00 0.00 0.175 C +ATOM 7788 N PRO B 277 132.980 214.236 234.940 1.00 0.00 -0.329 N +ATOM 7789 CB PRO B 277 131.173 213.552 236.283 1.00 0.00 0.037 C +ATOM 7790 CG PRO B 277 132.356 212.736 236.610 1.00 0.00 0.024 C +ATOM 7791 CD PRO B 277 133.539 213.474 236.070 1.00 0.00 0.121 C +ATOM 7792 C GLN B 278 130.693 218.538 234.078 1.00 0.00 0.242 C +ATOM 7793 O GLN B 278 129.674 219.206 233.899 1.00 0.00 -0.273 OA +ATOM 7794 CA GLN B 278 131.019 217.971 235.455 1.00 0.00 0.171 C +ATOM 7795 N GLN B 278 131.567 216.620 235.378 1.00 0.00 -0.343 N +ATOM 7796 CB GLN B 278 132.000 218.905 236.167 1.00 0.00 0.045 C +ATOM 7797 CG GLN B 278 132.508 218.383 237.502 1.00 0.00 0.102 C +ATOM 7798 CD GLN B 278 133.840 217.672 237.384 1.00 0.00 0.217 C +ATOM 7799 OE1 GLN B 278 133.939 216.471 237.635 1.00 0.00 -0.275 OA +ATOM 7800 NE2 GLN B 278 134.876 218.412 237.008 1.00 0.00 -0.368 N +ATOM 7801 HE22 GLN B 278 134.769 219.250 236.846 1.00 0.00 0.159 HD +ATOM 7802 HE21 GLN B 278 135.654 218.054 236.926 1.00 0.00 0.159 HD +ATOM 7803 H GLN B 278 132.367 216.550 235.685 1.00 0.00 0.164 HD +ATOM 7804 C VAL B 279 130.067 218.354 231.169 1.00 0.00 0.243 C +ATOM 7805 O VAL B 279 129.805 217.157 231.071 1.00 0.00 -0.272 OA +ATOM 7806 CA VAL B 279 131.402 218.798 231.760 1.00 0.00 0.173 C +ATOM 7807 N VAL B 279 131.566 218.274 233.112 1.00 0.00 -0.343 N +ATOM 7808 CB VAL B 279 132.534 218.330 230.827 1.00 0.00 0.015 C +ATOM 7809 CG1 VAL B 279 132.396 218.975 229.451 1.00 0.00 0.010 C +ATOM 7810 CG2 VAL B 279 133.896 218.653 231.430 1.00 0.00 0.010 C +ATOM 7811 H VAL B 279 132.269 217.790 233.216 1.00 0.00 0.164 HD +ATOM 7812 C PRO B 280 128.186 218.269 228.762 1.00 0.00 0.243 C +ATOM 7813 O PRO B 280 129.139 218.632 228.075 1.00 0.00 -0.271 OA +ATOM 7814 CA PRO B 280 127.958 218.885 230.140 1.00 0.00 0.175 C +ATOM 7815 N PRO B 280 129.212 219.310 230.770 1.00 0.00 -0.329 N +ATOM 7816 CB PRO B 280 127.153 220.185 230.045 1.00 0.00 0.037 C +ATOM 7817 CG PRO B 280 128.164 221.259 230.044 1.00 0.00 0.024 C +ATOM 7818 CD PRO B 280 129.294 220.775 230.899 1.00 0.00 0.121 C +ATOM 7819 C GLU B 281 127.732 217.490 225.913 1.00 0.00 0.242 C +ATOM 7820 O GLU B 281 128.684 217.217 225.182 1.00 0.00 -0.273 OA +ATOM 7821 CA GLU B 281 127.402 216.614 227.120 1.00 0.00 0.171 C +ATOM 7822 N GLU B 281 127.309 217.345 228.383 1.00 0.00 -0.344 N +ATOM 7823 CB GLU B 281 126.086 215.881 226.857 1.00 0.00 0.041 C +ATOM 7824 CG GLU B 281 125.877 214.645 227.711 1.00 0.00 0.055 C +ATOM 7825 CD GLU B 281 126.437 213.393 227.066 1.00 0.00 0.041 C +ATOM 7826 OE1 GLU B 281 125.633 212.527 226.661 1.00 0.00 -0.548 OA +ATOM 7827 OE2 GLU B 281 127.677 213.275 226.964 1.00 0.00 -0.549 OA +ATOM 7828 H GLU B 281 126.628 217.115 228.856 1.00 0.00 0.164 HD +ATOM 7829 C HIS B 282 128.381 220.125 224.433 1.00 0.00 0.242 C +ATOM 7830 O HIS B 282 128.699 220.711 223.399 1.00 0.00 -0.272 OA +ATOM 7831 CA HIS B 282 127.055 219.363 224.509 1.00 0.00 0.177 C +ATOM 7832 N HIS B 282 126.942 218.539 225.710 1.00 0.00 -0.343 N +ATOM 7833 CB HIS B 282 125.884 220.345 224.432 1.00 0.00 0.093 C +ATOM 7834 CG HIS B 282 125.750 221.225 225.634 1.00 0.00 0.061 A +ATOM 7835 ND1 HIS B 282 126.399 222.435 225.748 1.00 0.00 -0.242 NA +ATOM 7836 CD2 HIS B 282 125.043 221.068 226.778 1.00 0.00 0.107 A +ATOM 7837 CE1 HIS B 282 126.096 222.986 226.910 1.00 0.00 0.196 A +ATOM 7838 NE2 HIS B 282 125.275 222.177 227.554 1.00 0.00 -0.350 N +ATOM 7839 HE2 HIS B 282 124.940 222.321 228.333 1.00 0.00 0.167 HD +ATOM 7840 H HIS B 282 126.328 218.797 226.255 1.00 0.00 0.164 HD +ATOM 7841 C LEU B 283 131.593 219.718 225.384 1.00 0.00 0.243 C +ATOM 7842 O LEU B 283 132.767 220.084 225.346 1.00 0.00 -0.272 OA +ATOM 7843 CA LEU B 283 130.469 220.742 225.533 1.00 0.00 0.172 C +ATOM 7844 N LEU B 283 129.148 220.115 225.519 1.00 0.00 -0.345 N +ATOM 7845 CB LEU B 283 130.668 221.545 226.821 1.00 0.00 0.038 C +ATOM 7846 CG LEU B 283 129.891 222.864 226.933 1.00 0.00 -0.015 C +ATOM 7847 CD1 LEU B 283 130.200 223.555 228.255 1.00 0.00 0.007 C +ATOM 7848 CD2 LEU B 283 130.202 223.796 225.770 1.00 0.00 0.007 C +ATOM 7849 H LEU B 283 128.926 219.751 226.266 1.00 0.00 0.165 HD +ATOM 7850 C ARG B 284 132.669 217.234 223.699 1.00 0.00 0.242 C +ATOM 7851 O ARG B 284 132.207 216.344 222.989 1.00 0.00 -0.273 OA +ATOM 7852 CA ARG B 284 132.238 217.389 225.156 1.00 0.00 0.171 C +ATOM 7853 N ARG B 284 131.237 218.441 225.293 1.00 0.00 -0.344 N +ATOM 7854 CB ARG B 284 131.700 216.067 225.707 1.00 0.00 0.038 C +ATOM 7855 CG ARG B 284 131.468 216.117 227.208 1.00 0.00 0.040 C +ATOM 7856 CD ARG B 284 131.040 214.787 227.786 1.00 0.00 0.197 C +ATOM 7857 NE ARG B 284 130.806 214.895 229.224 1.00 0.00 -0.278 N +ATOM 7858 HE ARG B 284 130.722 215.683 229.556 1.00 0.00 0.260 HD +ATOM 7859 CZ ARG B 284 130.714 213.861 230.054 1.00 0.00 0.339 C +ATOM 7860 NH1 ARG B 284 130.842 212.621 229.603 1.00 0.00 -0.290 N +ATOM 7861 NH2 ARG B 284 130.500 214.071 231.346 1.00 0.00 -0.290 N +ATOM 7862 HH12 ARG B 284 130.982 212.481 228.766 1.00 0.00 0.256 HD +ATOM 7863 HH11 ARG B 284 130.783 211.957 230.146 1.00 0.00 0.256 HD +ATOM 7864 HH22 ARG B 284 130.417 214.873 231.643 1.00 0.00 0.256 HD +ATOM 7865 HH21 ARG B 284 130.441 213.404 231.885 1.00 0.00 0.256 HD +ATOM 7866 H ARG B 284 130.426 218.158 225.308 1.00 0.00 0.164 HD +ATOM 7867 C PHE B 285 134.894 216.827 221.660 1.00 0.00 0.243 C +ATOM 7868 O PHE B 285 135.632 216.366 222.530 1.00 0.00 -0.272 OA +ATOM 7869 CA PHE B 285 134.084 218.095 221.910 1.00 0.00 0.175 C +ATOM 7870 N PHE B 285 133.554 218.124 223.266 1.00 0.00 -0.343 N +ATOM 7871 CB PHE B 285 134.956 219.329 221.655 1.00 0.00 0.070 C +ATOM 7872 CG PHE B 285 134.180 220.614 221.527 1.00 0.00 -0.045 A +ATOM 7873 CD1 PHE B 285 133.065 220.693 220.712 1.00 0.00 0.004 A +ATOM 7874 CD2 PHE B 285 134.575 221.745 222.221 1.00 0.00 0.004 A +ATOM 7875 CE1 PHE B 285 132.358 221.873 220.593 1.00 0.00 0.000 A +ATOM 7876 CE2 PHE B 285 133.869 222.927 222.106 1.00 0.00 0.000 A +ATOM 7877 CZ PHE B 285 132.760 222.991 221.291 1.00 0.00 0.000 A +ATOM 7878 H PHE B 285 133.868 218.765 223.747 1.00 0.00 0.164 HD +ATOM 7879 C ALA B 286 136.460 215.332 218.968 1.00 0.00 0.243 C +ATOM 7880 O ALA B 286 136.118 215.873 217.917 1.00 0.00 -0.272 OA +ATOM 7881 CA ALA B 286 135.446 215.055 220.072 1.00 0.00 0.168 C +ATOM 7882 N ALA B 286 134.750 216.276 220.459 1.00 0.00 -0.344 N +ATOM 7883 CB ALA B 286 134.453 214.004 219.624 1.00 0.00 0.041 C +ATOM 7884 H ALA B 286 134.246 216.597 219.840 1.00 0.00 0.164 HD +ATOM 7885 C VAL B 287 139.655 213.864 218.246 1.00 0.00 0.243 C +ATOM 7886 O VAL B 287 139.393 212.920 218.992 1.00 0.00 -0.272 OA +ATOM 7887 CA VAL B 287 138.783 215.117 218.250 1.00 0.00 0.173 C +ATOM 7888 N VAL B 287 137.712 214.969 219.226 1.00 0.00 -0.343 N +ATOM 7889 CB VAL B 287 139.645 216.364 218.540 1.00 0.00 0.015 C +ATOM 7890 CG1 VAL B 287 138.809 217.633 218.385 1.00 0.00 0.010 C +ATOM 7891 CG2 VAL B 287 140.254 216.291 219.933 1.00 0.00 0.010 C +ATOM 7892 H VAL B 287 137.970 214.628 219.972 1.00 0.00 0.164 HD +ATOM 7893 C GLY B 288 142.109 212.173 218.541 1.00 0.00 0.239 C +ATOM 7894 O GLY B 288 141.959 210.993 218.850 1.00 0.00 -0.273 OA +ATOM 7895 CA GLY B 288 141.546 212.705 217.235 1.00 0.00 0.216 C +ATOM 7896 N GLY B 288 140.680 213.860 217.399 1.00 0.00 -0.346 N +ATOM 7897 H GLY B 288 140.895 214.527 216.900 1.00 0.00 0.164 HD +ATOM 7898 C GLN B 289 142.313 212.719 221.713 1.00 0.00 0.242 C +ATOM 7899 O GLN B 289 141.631 213.725 221.907 1.00 0.00 -0.273 OA +ATOM 7900 CA GLN B 289 143.340 212.674 220.586 1.00 0.00 0.171 C +ATOM 7901 N GLN B 289 142.742 213.050 219.310 1.00 0.00 -0.343 N +ATOM 7902 CB GLN B 289 144.517 213.596 220.911 1.00 0.00 0.045 C +ATOM 7903 CG GLN B 289 145.837 212.872 221.108 1.00 0.00 0.102 C +ATOM 7904 CD GLN B 289 145.953 212.221 222.468 1.00 0.00 0.217 C +ATOM 7905 OE1 GLN B 289 144.967 211.742 223.027 1.00 0.00 -0.275 OA +ATOM 7906 NE2 GLN B 289 147.165 212.205 223.013 1.00 0.00 -0.368 N +ATOM 7907 HE22 GLN B 289 147.830 212.553 222.593 1.00 0.00 0.159 HD +ATOM 7908 HE21 GLN B 289 147.284 211.846 223.785 1.00 0.00 0.159 HD +ATOM 7909 H GLN B 289 142.841 213.882 219.113 1.00 0.00 0.164 HD +ATOM 7910 C GLU B 290 141.419 212.436 224.685 1.00 0.00 0.242 C +ATOM 7911 O GLU B 290 140.476 212.686 225.437 1.00 0.00 -0.273 OA +ATOM 7912 CA GLU B 290 141.233 211.466 223.516 1.00 0.00 0.171 C +ATOM 7913 N GLU B 290 142.228 211.623 222.459 1.00 0.00 -0.344 N +ATOM 7914 CB GLU B 290 141.263 210.031 224.053 1.00 0.00 0.041 C +ATOM 7915 CG GLU B 290 140.776 208.973 223.072 1.00 0.00 0.055 C +ATOM 7916 CD GLU B 290 141.853 208.500 222.102 1.00 0.00 0.041 C +ATOM 7917 OE1 GLU B 290 142.865 209.213 221.915 1.00 0.00 -0.548 OA +ATOM 7918 OE2 GLU B 290 141.684 207.404 221.525 1.00 0.00 -0.549 OA +ATOM 7919 H GLU B 290 142.746 210.942 222.370 1.00 0.00 0.164 HD +ATOM 7920 C VAL B 291 142.888 215.285 225.776 1.00 0.00 0.243 C +ATOM 7921 O VAL B 291 143.092 216.071 226.699 1.00 0.00 -0.272 OA +ATOM 7922 CA VAL B 291 142.958 213.779 226.015 1.00 0.00 0.173 C +ATOM 7923 N VAL B 291 142.625 212.977 224.838 1.00 0.00 -0.343 N +ATOM 7924 CB VAL B 291 144.379 213.447 226.535 1.00 0.00 0.015 C +ATOM 7925 CG1 VAL B 291 144.529 211.948 226.745 1.00 0.00 0.010 C +ATOM 7926 CG2 VAL B 291 145.452 213.961 225.573 1.00 0.00 0.010 C +ATOM 7927 H VAL B 291 143.269 212.896 224.274 1.00 0.00 0.164 HD +ATOM 7928 C PHE B 292 141.624 217.979 224.724 1.00 0.00 0.243 C +ATOM 7929 O PHE B 292 141.620 219.187 224.503 1.00 0.00 -0.272 OA +ATOM 7930 CA PHE B 292 142.738 217.096 224.165 1.00 0.00 0.175 C +ATOM 7931 N PHE B 292 142.605 215.692 224.544 1.00 0.00 -0.343 N +ATOM 7932 CB PHE B 292 142.797 217.229 222.640 1.00 0.00 0.070 C +ATOM 7933 CG PHE B 292 144.164 216.974 222.050 1.00 0.00 -0.045 A +ATOM 7934 CD1 PHE B 292 145.228 216.567 222.840 1.00 0.00 0.004 A +ATOM 7935 CD2 PHE B 292 144.383 217.156 220.697 1.00 0.00 0.004 A +ATOM 7936 CE1 PHE B 292 146.473 216.346 222.292 1.00 0.00 0.000 A +ATOM 7937 CE2 PHE B 292 145.626 216.933 220.145 1.00 0.00 0.000 A +ATOM 7938 CZ PHE B 292 146.673 216.528 220.943 1.00 0.00 0.000 A +ATOM 7939 H PHE B 292 142.334 215.178 223.910 1.00 0.00 0.164 HD +ATOM 7940 C GLY B 293 140.289 218.672 227.502 1.00 0.00 0.239 C +ATOM 7941 O GLY B 293 139.647 219.455 228.202 1.00 0.00 -0.273 OA +ATOM 7942 CA GLY B 293 139.710 218.145 226.199 1.00 0.00 0.216 C +ATOM 7943 N GLY B 293 140.696 217.381 225.463 1.00 0.00 -0.346 N +ATOM 7944 H GLY B 293 140.619 216.529 225.552 1.00 0.00 0.164 HD +ATOM 7945 C LEU B 294 142.266 220.135 229.237 1.00 0.00 0.243 C +ATOM 7946 O LEU B 294 141.866 220.652 230.280 1.00 0.00 -0.272 OA +ATOM 7947 CA LEU B 294 142.194 218.624 229.054 1.00 0.00 0.172 C +ATOM 7948 N LEU B 294 141.506 218.238 227.822 1.00 0.00 -0.345 N +ATOM 7949 CB LEU B 294 143.608 218.035 229.067 1.00 0.00 0.038 C +ATOM 7950 CG LEU B 294 144.498 218.353 230.273 1.00 0.00 -0.015 C +ATOM 7951 CD1 LEU B 294 143.870 217.856 231.566 1.00 0.00 0.007 C +ATOM 7952 CD2 LEU B 294 145.887 217.750 230.084 1.00 0.00 0.007 C +ATOM 7953 H LEU B 294 141.966 217.705 227.327 1.00 0.00 0.165 HD +ATOM 7954 C VAL B 295 142.345 222.953 227.022 1.00 0.00 0.243 C +ATOM 7955 O VAL B 295 142.462 222.393 225.935 1.00 0.00 -0.272 OA +ATOM 7956 CA VAL B 295 142.876 222.293 228.295 1.00 0.00 0.173 C +ATOM 7957 N VAL B 295 142.771 220.839 228.229 1.00 0.00 -0.343 N +ATOM 7958 CB VAL B 295 144.328 222.748 228.523 1.00 0.00 0.015 C +ATOM 7959 CG1 VAL B 295 144.722 222.540 229.966 1.00 0.00 0.010 C +ATOM 7960 CG2 VAL B 295 145.275 222.019 227.590 1.00 0.00 0.010 C +ATOM 7961 H VAL B 295 143.061 220.498 227.494 1.00 0.00 0.164 HD +ATOM 7962 C PRO B 296 142.289 225.232 224.962 1.00 0.00 0.243 C +ATOM 7963 O PRO B 296 141.968 225.411 223.787 1.00 0.00 -0.271 OA +ATOM 7964 CA PRO B 296 141.223 224.886 225.995 1.00 0.00 0.175 C +ATOM 7965 N PRO B 296 141.755 224.155 227.153 1.00 0.00 -0.329 N +ATOM 7966 CB PRO B 296 140.645 226.162 226.622 1.00 0.00 0.037 C +ATOM 7967 CG PRO B 296 140.408 225.819 228.037 1.00 0.00 0.024 C +ATOM 7968 CD PRO B 296 141.481 224.868 228.413 1.00 0.00 0.121 C +ATOM 7969 C GLY B 297 144.850 224.517 223.502 1.00 0.00 0.239 C +ATOM 7970 O GLY B 297 145.192 224.766 222.346 1.00 0.00 -0.273 OA +ATOM 7971 CA GLY B 297 144.643 225.628 224.510 1.00 0.00 0.216 C +ATOM 7972 N GLY B 297 143.539 225.332 225.404 1.00 0.00 -0.346 N +ATOM 7973 H GLY B 297 143.772 225.230 226.225 1.00 0.00 0.164 HD +ATOM 7974 C LEU B 298 143.531 222.108 222.117 1.00 0.00 0.243 C +ATOM 7975 O LEU B 298 143.663 221.857 220.918 1.00 0.00 -0.272 OA +ATOM 7976 CA LEU B 298 144.733 222.137 223.047 1.00 0.00 0.172 C +ATOM 7977 N LEU B 298 144.648 223.281 223.941 1.00 0.00 -0.345 N +ATOM 7978 CB LEU B 298 144.816 220.833 223.841 1.00 0.00 0.038 C +ATOM 7979 CG LEU B 298 146.133 220.573 224.572 1.00 0.00 -0.015 C +ATOM 7980 CD1 LEU B 298 146.002 219.346 225.461 1.00 0.00 0.007 C +ATOM 7981 CD2 LEU B 298 147.279 220.403 223.586 1.00 0.00 0.007 C +ATOM 7982 H LEU B 298 144.458 223.079 224.756 1.00 0.00 0.165 HD +ATOM 7983 C MET B 299 141.143 223.478 220.866 1.00 0.00 0.242 C +ATOM 7984 O MET B 299 140.498 223.377 219.824 1.00 0.00 -0.272 OA +ATOM 7985 CA MET B 299 141.130 222.352 221.898 1.00 0.00 0.172 C +ATOM 7986 N MET B 299 142.357 222.369 222.677 1.00 0.00 -0.344 N +ATOM 7987 CB MET B 299 139.915 222.465 222.819 1.00 0.00 0.046 C +ATOM 7988 CG MET B 299 138.582 222.155 222.149 1.00 0.00 0.072 C +ATOM 7989 SD MET B 299 138.510 220.532 221.362 1.00 0.00 -0.165 SA +ATOM 7990 CE MET B 299 138.835 219.457 222.751 1.00 0.00 0.085 C +ATOM 7991 H MET B 299 142.244 222.560 223.508 1.00 0.00 0.164 HD +ATOM 7992 C MET B 300 142.767 225.134 218.940 1.00 0.00 0.242 C +ATOM 7993 O MET B 300 142.279 225.323 217.829 1.00 0.00 -0.272 OA +ATOM 7994 CA MET B 300 142.058 225.629 220.194 1.00 0.00 0.172 C +ATOM 7995 N MET B 300 141.891 224.541 221.150 1.00 0.00 -0.344 N +ATOM 7996 CB MET B 300 142.849 226.785 220.814 1.00 0.00 0.046 C +ATOM 7997 CG MET B 300 143.059 227.975 219.875 1.00 0.00 0.072 C +ATOM 7998 SD MET B 300 144.362 229.099 220.417 1.00 0.00 -0.165 SA +ATOM 7999 CE MET B 300 145.812 228.069 220.193 1.00 0.00 0.085 C +ATOM 8000 H MET B 300 142.312 224.655 221.891 1.00 0.00 0.164 HD +ATOM 8001 C TYR B 301 143.954 222.896 217.258 1.00 0.00 0.243 C +ATOM 8002 O TYR B 301 144.020 222.793 216.034 1.00 0.00 -0.272 OA +ATOM 8003 CA TYR B 301 144.694 224.013 217.982 1.00 0.00 0.175 C +ATOM 8004 N TYR B 301 143.925 224.506 219.118 1.00 0.00 -0.343 N +ATOM 8005 CB TYR B 301 146.074 223.528 218.429 1.00 0.00 0.070 C +ATOM 8006 CG TYR B 301 147.111 224.623 218.452 1.00 0.00 -0.045 A +ATOM 8007 CD1 TYR B 301 147.555 225.202 217.273 1.00 0.00 0.007 A +ATOM 8008 CD2 TYR B 301 147.644 225.080 219.647 1.00 0.00 0.007 A +ATOM 8009 CE1 TYR B 301 148.497 226.205 217.282 1.00 0.00 0.046 A +ATOM 8010 CE2 TYR B 301 148.590 226.084 219.666 1.00 0.00 0.046 A +ATOM 8011 CZ TYR B 301 149.013 226.642 218.480 1.00 0.00 0.115 A +ATOM 8012 OH TYR B 301 149.956 227.640 218.492 1.00 0.00 -0.507 OA +ATOM 8013 HH TYR B 301 150.184 227.810 219.282 1.00 0.00 0.294 HD +ATOM 8014 H TYR B 301 144.286 224.352 219.883 1.00 0.00 0.164 HD +ATOM 8015 C ALA B 302 141.369 221.646 216.536 1.00 0.00 0.243 C +ATOM 8016 O ALA B 302 141.116 221.172 215.428 1.00 0.00 -0.272 OA +ATOM 8017 CA ALA B 302 142.431 221.016 217.429 1.00 0.00 0.168 C +ATOM 8018 N ALA B 302 143.252 222.064 218.016 1.00 0.00 -0.344 N +ATOM 8019 CB ALA B 302 141.789 220.169 218.508 1.00 0.00 0.041 C +ATOM 8020 H ALA B 302 143.235 222.085 218.876 1.00 0.00 0.164 HD +ATOM 8021 C THR B 303 140.424 224.046 214.989 1.00 0.00 0.245 C +ATOM 8022 O THR B 303 139.890 223.892 213.892 1.00 0.00 -0.273 OA +ATOM 8023 CA THR B 303 139.784 223.475 216.251 1.00 0.00 0.199 C +ATOM 8024 N THR B 303 140.762 222.723 217.025 1.00 0.00 -0.341 N +ATOM 8025 CB THR B 303 139.168 224.621 217.082 1.00 0.00 0.143 C +ATOM 8026 CG2 THR B 303 138.231 225.477 216.237 1.00 0.00 0.041 C +ATOM 8027 OG1 THR B 303 138.433 224.072 218.182 1.00 0.00 -0.389 OA +ATOM 8028 HG1 THR B 303 138.944 223.619 218.672 1.00 0.00 0.211 HD +ATOM 8029 H THR B 303 140.902 223.041 217.812 1.00 0.00 0.164 HD +ATOM 8030 C ILE B 304 142.617 224.294 212.954 1.00 0.00 0.243 C +ATOM 8031 O ILE B 304 142.379 224.527 211.768 1.00 0.00 -0.272 OA +ATOM 8032 CA ILE B 304 142.267 225.317 214.029 1.00 0.00 0.174 C +ATOM 8033 N ILE B 304 141.573 224.694 215.151 1.00 0.00 -0.343 N +ATOM 8034 CB ILE B 304 143.555 226.036 214.492 1.00 0.00 0.018 C +ATOM 8035 CG2 ILE B 304 144.414 226.452 213.287 1.00 0.00 0.010 C +ATOM 8036 CG1 ILE B 304 143.194 227.267 215.326 1.00 0.00 0.002 C +ATOM 8037 CD1 ILE B 304 144.381 228.018 215.899 1.00 0.00 0.004 C +ATOM 8038 H ILE B 304 141.974 224.787 215.906 1.00 0.00 0.164 HD +ATOM 8039 C TRP B 305 142.403 221.459 211.759 1.00 0.00 0.242 C +ATOM 8040 O TRP B 305 142.480 221.067 210.598 1.00 0.00 -0.272 OA +ATOM 8041 CA TRP B 305 143.604 222.138 212.420 1.00 0.00 0.175 C +ATOM 8042 N TRP B 305 143.183 223.164 213.368 1.00 0.00 -0.343 N +ATOM 8043 CB TRP B 305 144.494 221.092 213.107 1.00 0.00 0.072 C +ATOM 8044 CG TRP B 305 145.917 221.541 213.293 1.00 0.00 -0.020 A +ATOM 8045 CD1 TRP B 305 146.526 221.873 214.469 1.00 0.00 0.087 A +ATOM 8046 CD2 TRP B 305 146.906 221.713 212.270 1.00 0.00 0.003 A +ATOM 8047 NE1 TRP B 305 147.831 222.238 214.242 1.00 0.00 -0.359 N +ATOM 8048 CE2 TRP B 305 148.088 222.149 212.899 1.00 0.00 0.046 A +ATOM 8049 CE3 TRP B 305 146.907 221.540 210.883 1.00 0.00 0.010 A +ATOM 8050 HE1 TRP B 305 148.394 222.483 214.844 1.00 0.00 0.166 HD +ATOM 8051 CZ2 TRP B 305 149.257 222.414 212.190 1.00 0.00 0.026 A +ATOM 8052 CZ3 TRP B 305 148.068 221.803 210.182 1.00 0.00 0.001 A +ATOM 8053 CH2 TRP B 305 149.227 222.236 210.836 1.00 0.00 0.002 A +ATOM 8054 H TRP B 305 143.334 222.968 214.191 1.00 0.00 0.164 HD +ATOM 8055 C LEU B 306 139.593 221.682 210.760 1.00 0.00 0.243 C +ATOM 8056 O LEU B 306 139.227 221.197 209.689 1.00 0.00 -0.272 OA +ATOM 8057 CA LEU B 306 140.070 220.790 211.903 1.00 0.00 0.172 C +ATOM 8058 N LEU B 306 141.301 221.324 212.488 1.00 0.00 -0.345 N +ATOM 8059 CB LEU B 306 138.968 220.666 212.956 1.00 0.00 0.038 C +ATOM 8060 CG LEU B 306 137.619 220.154 212.435 1.00 0.00 -0.015 C +ATOM 8061 CD1 LEU B 306 137.682 218.668 212.134 1.00 0.00 0.007 C +ATOM 8062 CD2 LEU B 306 136.505 220.453 213.416 1.00 0.00 0.007 C +ATOM 8063 H LEU B 306 141.236 221.531 213.320 1.00 0.00 0.165 HD +ATOM 8064 C ARG B 307 140.103 223.867 208.764 1.00 0.00 0.242 C +ATOM 8065 O ARG B 307 139.638 223.960 207.628 1.00 0.00 -0.273 OA +ATOM 8066 CA ARG B 307 139.197 223.954 209.986 1.00 0.00 0.171 C +ATOM 8067 N ARG B 307 139.594 222.987 211.001 1.00 0.00 -0.344 N +ATOM 8068 CB ARG B 307 139.225 225.370 210.559 1.00 0.00 0.038 C +ATOM 8069 CG ARG B 307 138.212 225.605 211.662 1.00 0.00 0.040 C +ATOM 8070 CD ARG B 307 138.437 226.946 212.333 1.00 0.00 0.197 C +ATOM 8071 NE ARG B 307 137.467 227.205 213.391 1.00 0.00 -0.278 N +ATOM 8072 HE ARG B 307 136.918 226.576 213.597 1.00 0.00 0.260 HD +ATOM 8073 CZ ARG B 307 137.360 228.360 214.039 1.00 0.00 0.339 C +ATOM 8074 NH1 ARG B 307 138.160 229.373 213.736 1.00 0.00 -0.290 N +ATOM 8075 NH2 ARG B 307 136.448 228.504 214.991 1.00 0.00 -0.290 N +ATOM 8076 HH12 ARG B 307 138.753 229.282 213.119 1.00 0.00 0.256 HD +ATOM 8077 HH11 ARG B 307 138.087 230.119 214.157 1.00 0.00 0.256 HD +ATOM 8078 HH22 ARG B 307 135.927 227.849 215.189 1.00 0.00 0.256 HD +ATOM 8079 HH21 ARG B 307 136.378 229.252 215.409 1.00 0.00 0.256 HD +ATOM 8080 H ARG B 307 139.823 223.342 211.750 1.00 0.00 0.164 HD +ATOM 8081 C GLU B 308 142.064 222.355 207.033 1.00 0.00 0.242 C +ATOM 8082 O GLU B 308 142.149 222.447 205.810 1.00 0.00 -0.273 OA +ATOM 8083 CA GLU B 308 142.361 223.565 207.916 1.00 0.00 0.171 C +ATOM 8084 N GLU B 308 141.398 223.684 209.003 1.00 0.00 -0.344 N +ATOM 8085 CB GLU B 308 143.788 223.475 208.468 1.00 0.00 0.041 C +ATOM 8086 CG GLU B 308 144.869 223.278 207.406 1.00 0.00 0.055 C +ATOM 8087 CD GLU B 308 144.967 224.435 206.429 1.00 0.00 0.041 C +ATOM 8088 OE1 GLU B 308 144.408 225.515 206.712 1.00 0.00 -0.548 OA +ATOM 8089 OE2 GLU B 308 145.610 224.262 205.374 1.00 0.00 -0.549 OA +ATOM 8090 H GLU B 308 141.745 223.626 209.788 1.00 0.00 0.164 HD +ATOM 8091 C HIS B 309 140.232 220.274 205.929 1.00 0.00 0.242 C +ATOM 8092 O HIS B 309 140.286 219.943 204.746 1.00 0.00 -0.272 OA +ATOM 8093 CA HIS B 309 141.412 220.030 206.861 1.00 0.00 0.177 C +ATOM 8094 N HIS B 309 141.721 221.223 207.642 1.00 0.00 -0.343 N +ATOM 8095 CB HIS B 309 141.097 218.831 207.755 1.00 0.00 0.093 C +ATOM 8096 CG HIS B 309 140.587 217.648 206.993 1.00 0.00 0.061 A +ATOM 8097 ND1 HIS B 309 141.422 216.768 206.340 1.00 0.00 -0.242 NA +ATOM 8098 CD2 HIS B 309 139.326 217.226 206.742 1.00 0.00 0.107 A +ATOM 8099 CE1 HIS B 309 140.699 215.841 205.739 1.00 0.00 0.196 A +ATOM 8100 NE2 HIS B 309 139.424 216.097 205.965 1.00 0.00 -0.350 N +ATOM 8101 HE2 HIS B 309 138.761 215.630 205.677 1.00 0.00 0.167 HD +ATOM 8102 H HIS B 309 141.659 221.120 208.494 1.00 0.00 0.164 HD +ATOM 8103 C ASN B 310 138.203 222.221 204.659 1.00 0.00 0.242 C +ATOM 8104 O ASN B 310 137.587 222.235 203.594 1.00 0.00 -0.273 OA +ATOM 8105 CA ASN B 310 137.969 221.103 205.671 1.00 0.00 0.180 C +ATOM 8106 N ASN B 310 139.161 220.848 206.466 1.00 0.00 -0.342 N +ATOM 8107 CB ASN B 310 136.783 221.437 206.579 1.00 0.00 0.134 C +ATOM 8108 CG ASN B 310 136.310 220.234 207.385 1.00 0.00 0.220 C +ATOM 8109 OD1 ASN B 310 136.643 219.091 207.071 1.00 0.00 -0.275 OA +ATOM 8110 ND2 ASN B 310 135.526 220.489 208.426 1.00 0.00 -0.368 N +ATOM 8111 HD22 ASN B 310 135.233 219.844 208.912 1.00 0.00 0.159 HD +ATOM 8112 HD21 ASN B 310 135.312 221.301 208.614 1.00 0.00 0.159 HD +ATOM 8113 H ASN B 310 139.100 221.097 207.286 1.00 0.00 0.164 HD +ATOM 8114 C ARG B 311 140.245 223.548 202.849 1.00 0.00 0.242 C +ATOM 8115 O ARG B 311 139.988 223.887 201.696 1.00 0.00 -0.273 OA +ATOM 8116 CA ARG B 311 139.503 224.174 204.028 1.00 0.00 0.171 C +ATOM 8117 N ARG B 311 139.104 223.145 204.981 1.00 0.00 -0.344 N +ATOM 8118 CB ARG B 311 140.386 225.231 204.695 1.00 0.00 0.038 C +ATOM 8119 CG ARG B 311 140.682 226.434 203.802 1.00 0.00 0.040 C +ATOM 8120 CD ARG B 311 141.768 227.326 204.385 1.00 0.00 0.197 C +ATOM 8121 NE ARG B 311 143.088 226.705 204.301 1.00 0.00 -0.278 N +ATOM 8122 HE ARG B 311 143.354 226.242 204.976 1.00 0.00 0.260 HD +ATOM 8123 CZ ARG B 311 143.909 226.802 203.259 1.00 0.00 0.339 C +ATOM 8124 NH1 ARG B 311 143.565 227.506 202.189 1.00 0.00 -0.290 N +ATOM 8125 NH2 ARG B 311 145.085 226.192 203.285 1.00 0.00 -0.290 N +ATOM 8126 HH12 ARG B 311 142.802 227.903 202.163 1.00 0.00 0.256 HD +ATOM 8127 HH11 ARG B 311 144.103 227.563 201.520 1.00 0.00 0.256 HD +ATOM 8128 HH22 ARG B 311 145.317 225.735 203.976 1.00 0.00 0.256 HD +ATOM 8129 HH21 ARG B 311 145.618 226.256 202.614 1.00 0.00 0.256 HD +ATOM 8130 H ARG B 311 139.497 223.197 205.744 1.00 0.00 0.164 HD +ATOM 8131 C VAL B 312 141.036 221.110 201.236 1.00 0.00 0.243 C +ATOM 8132 O VAL B 312 141.267 220.967 200.036 1.00 0.00 -0.272 OA +ATOM 8133 CA VAL B 312 141.947 221.972 202.104 1.00 0.00 0.173 C +ATOM 8134 N VAL B 312 141.167 222.635 203.144 1.00 0.00 -0.343 N +ATOM 8135 CB VAL B 312 143.085 221.109 202.708 1.00 0.00 0.015 C +ATOM 8136 CG1 VAL B 312 143.688 220.166 201.662 1.00 0.00 0.010 C +ATOM 8137 CG2 VAL B 312 144.167 222.001 203.289 1.00 0.00 0.010 C +ATOM 8138 H VAL B 312 141.361 222.381 203.943 1.00 0.00 0.164 HD +ATOM 8139 C CYS B 313 138.327 220.640 200.053 1.00 0.00 0.243 C +ATOM 8140 O CYS B 313 138.138 220.220 198.912 1.00 0.00 -0.272 OA +ATOM 8141 CA CYS B 313 139.016 219.768 201.096 1.00 0.00 0.181 C +ATOM 8142 N CYS B 313 140.005 220.536 201.844 1.00 0.00 -0.342 N +ATOM 8143 CB CYS B 313 137.980 219.162 202.039 1.00 0.00 0.101 C +ATOM 8144 SG CYS B 313 138.552 217.703 202.909 1.00 0.00 -0.177 SA +ATOM 8145 HG CYS B 313 137.673 217.303 203.621 1.00 0.00 0.102 HD +ATOM 8146 H CYS B 313 139.854 220.576 202.690 1.00 0.00 0.164 HD +ATOM 8147 C ASP B 314 138.280 223.103 198.365 1.00 0.00 0.242 C +ATOM 8148 O ASP B 314 137.860 223.109 197.209 1.00 0.00 -0.273 OA +ATOM 8149 CA ASP B 314 137.342 222.807 199.528 1.00 0.00 0.176 C +ATOM 8150 N ASP B 314 137.951 221.854 200.450 1.00 0.00 -0.343 N +ATOM 8151 CB ASP B 314 136.979 224.109 200.247 1.00 0.00 0.087 C +ATOM 8152 CG ASP B 314 135.793 223.957 201.179 1.00 0.00 0.044 C +ATOM 8153 OD1 ASP B 314 134.948 223.070 200.938 1.00 0.00 -0.548 OA +ATOM 8154 OD2 ASP B 314 135.704 224.734 202.151 1.00 0.00 -0.549 OA +ATOM 8155 H ASP B 314 138.039 222.150 201.252 1.00 0.00 0.164 HD +ATOM 8156 C VAL B 315 140.652 222.468 196.666 1.00 0.00 0.243 C +ATOM 8157 O VAL B 315 140.599 222.670 195.455 1.00 0.00 -0.272 OA +ATOM 8158 CA VAL B 315 140.546 223.626 197.653 1.00 0.00 0.173 C +ATOM 8159 N VAL B 315 139.548 223.349 198.676 1.00 0.00 -0.343 N +ATOM 8160 CB VAL B 315 141.931 223.893 198.276 1.00 0.00 0.015 C +ATOM 8161 CG1 VAL B 315 143.001 224.048 197.194 1.00 0.00 0.010 C +ATOM 8162 CG2 VAL B 315 141.886 225.133 199.153 1.00 0.00 0.010 C +ATOM 8163 H VAL B 315 139.856 223.360 199.479 1.00 0.00 0.164 HD +ATOM 8164 C LEU B 316 139.825 219.763 195.471 1.00 0.00 0.243 C +ATOM 8165 O LEU B 316 139.983 219.257 194.360 1.00 0.00 -0.272 OA +ATOM 8166 CA LEU B 316 141.027 220.086 196.353 1.00 0.00 0.172 C +ATOM 8167 N LEU B 316 140.797 221.257 197.191 1.00 0.00 -0.345 N +ATOM 8168 CB LEU B 316 141.377 218.879 197.223 1.00 0.00 0.038 C +ATOM 8169 CG LEU B 316 142.802 218.867 197.783 1.00 0.00 -0.015 C +ATOM 8170 CD1 LEU B 316 142.948 217.786 198.839 1.00 0.00 0.007 C +ATOM 8171 CD2 LEU B 316 143.815 218.660 196.669 1.00 0.00 0.007 C +ATOM 8172 H LEU B 316 140.766 221.086 198.033 1.00 0.00 0.165 HD +ATOM 8173 C LYS B 317 137.355 220.688 193.968 1.00 0.00 0.242 C +ATOM 8174 O LYS B 317 136.950 220.249 192.892 1.00 0.00 -0.273 OA +ATOM 8175 CA LYS B 317 137.412 219.796 195.204 1.00 0.00 0.171 C +ATOM 8176 N LYS B 317 138.628 220.055 195.965 1.00 0.00 -0.344 N +ATOM 8177 CB LYS B 317 136.176 220.018 196.072 1.00 0.00 0.035 C +ATOM 8178 CG LYS B 317 134.882 219.640 195.382 1.00 0.00 0.008 C +ATOM 8179 CD LYS B 317 133.718 219.603 196.358 1.00 0.00 0.061 C +ATOM 8180 CE LYS B 317 132.672 218.588 195.935 1.00 0.00 0.258 C +ATOM 8181 NZ LYS B 317 133.210 217.198 195.929 1.00 0.00 -0.357 N +ATOM 8182 HZ1 LYS B 317 132.575 216.627 195.677 1.00 0.00 0.345 HD +ATOM 8183 HZ2 LYS B 317 133.893 217.139 195.361 1.00 0.00 0.345 HD +ATOM 8184 HZ3 LYS B 317 133.491 216.977 196.744 1.00 0.00 0.345 HD +ATOM 8185 H LYS B 317 138.492 220.403 196.739 1.00 0.00 0.164 HD +ATOM 8186 C GLN B 318 138.861 222.340 191.996 1.00 0.00 0.242 C +ATOM 8187 O GLN B 318 138.671 222.488 190.790 1.00 0.00 -0.273 OA +ATOM 8188 CA GLN B 318 137.864 222.870 193.020 1.00 0.00 0.171 C +ATOM 8189 N GLN B 318 137.757 221.942 194.135 1.00 0.00 -0.343 N +ATOM 8190 CB GLN B 318 138.298 224.252 193.513 1.00 0.00 0.045 C +ATOM 8191 CG GLN B 318 138.398 225.315 192.419 1.00 0.00 0.102 C +ATOM 8192 CD GLN B 318 139.446 226.371 192.717 1.00 0.00 0.217 C +ATOM 8193 OE1 GLN B 318 139.904 226.511 193.851 1.00 0.00 -0.275 OA +ATOM 8194 NE2 GLN B 318 139.836 227.118 191.692 1.00 0.00 -0.368 N +ATOM 8195 HE22 GLN B 318 139.497 226.989 190.912 1.00 0.00 0.159 HD +ATOM 8196 HE21 GLN B 318 140.428 227.731 191.807 1.00 0.00 0.159 HD +ATOM 8197 H GLN B 318 137.977 222.282 194.893 1.00 0.00 0.164 HD +ATOM 8198 C GLU B 319 140.531 219.875 190.986 1.00 0.00 0.242 C +ATOM 8199 O GLU B 319 140.906 219.572 189.856 1.00 0.00 -0.273 OA +ATOM 8200 CA GLU B 319 140.970 221.182 191.625 1.00 0.00 0.171 C +ATOM 8201 N GLU B 319 139.927 221.721 192.490 1.00 0.00 -0.344 N +ATOM 8202 CB GLU B 319 142.259 220.964 192.417 1.00 0.00 0.041 C +ATOM 8203 CG GLU B 319 142.888 222.245 192.923 1.00 0.00 0.055 C +ATOM 8204 CD GLU B 319 143.260 223.184 191.796 1.00 0.00 0.041 C +ATOM 8205 OE1 GLU B 319 144.133 222.815 190.983 1.00 0.00 -0.548 OA +ATOM 8206 OE2 GLU B 319 142.672 224.284 191.716 1.00 0.00 -0.549 OA +ATOM 8207 H GLU B 319 140.071 221.599 193.329 1.00 0.00 0.164 HD +ATOM 8208 C HIS B 320 137.844 217.539 191.502 1.00 0.00 0.242 C +ATOM 8209 O HIS B 320 137.459 216.810 192.415 1.00 0.00 -0.273 OA +ATOM 8210 CA HIS B 320 139.330 217.776 191.277 1.00 0.00 0.179 C +ATOM 8211 N HIS B 320 139.731 219.107 191.716 1.00 0.00 -0.343 N +ATOM 8212 CB HIS B 320 140.148 216.712 192.007 1.00 0.00 0.119 C +ATOM 8213 CG HIS B 320 141.622 216.827 191.776 1.00 0.00 0.142 A +ATOM 8214 ND1 HIS B 320 142.239 216.328 190.651 1.00 0.00 -0.248 N +ATOM 8215 CD2 HIS B 320 142.600 217.389 192.524 1.00 0.00 0.244 A +ATOM 8216 HD1 HIS B 320 141.842 215.919 190.006 1.00 0.00 0.312 HD +ATOM 8217 CE1 HIS B 320 143.534 216.574 190.716 1.00 0.00 0.400 A +ATOM 8218 NE2 HIS B 320 143.780 217.216 191.844 1.00 0.00 -0.250 N +ATOM 8219 HE2 HIS B 320 144.553 217.484 192.108 1.00 0.00 0.312 HD +ATOM 8220 H HIS B 320 139.404 219.335 192.478 1.00 0.00 0.164 HD +ATOM 8221 C PRO B 321 135.154 216.479 190.553 1.00 0.00 0.243 C +ATOM 8222 O PRO B 321 134.019 216.112 190.847 1.00 0.00 -0.271 OA +ATOM 8223 CA PRO B 321 135.551 217.937 190.767 1.00 0.00 0.175 C +ATOM 8224 N PRO B 321 136.999 218.151 190.660 1.00 0.00 -0.329 N +ATOM 8225 CB PRO B 321 134.977 218.834 189.657 1.00 0.00 0.037 C +ATOM 8226 CG PRO B 321 136.112 219.091 188.728 1.00 0.00 0.024 C +ATOM 8227 CD PRO B 321 137.342 219.085 189.574 1.00 0.00 0.121 C +ATOM 8228 C GLU B 322 136.170 213.332 190.922 1.00 0.00 0.242 C +ATOM 8229 O GLU B 322 135.893 212.135 190.868 1.00 0.00 -0.273 OA +ATOM 8230 CA GLU B 322 135.817 214.261 189.762 1.00 0.00 0.171 C +ATOM 8231 N GLU B 322 136.085 215.665 190.060 1.00 0.00 -0.344 N +ATOM 8232 CB GLU B 322 136.584 213.829 188.502 1.00 0.00 0.041 C +ATOM 8233 CG GLU B 322 138.096 213.619 188.680 1.00 0.00 0.055 C +ATOM 8234 CD GLU B 322 138.872 214.913 188.842 1.00 0.00 0.041 C +ATOM 8235 OE1 GLU B 322 138.250 215.995 188.862 1.00 0.00 -0.548 OA +ATOM 8236 OE2 GLU B 322 140.113 214.849 188.949 1.00 0.00 -0.549 OA +ATOM 8237 H GLU B 322 136.892 215.907 189.886 1.00 0.00 0.164 HD +ATOM 8238 C TRP B 323 136.097 212.738 194.069 1.00 0.00 0.242 C +ATOM 8239 O TRP B 323 135.223 213.562 194.331 1.00 0.00 -0.272 OA +ATOM 8240 CA TRP B 323 137.228 213.071 193.105 1.00 0.00 0.175 C +ATOM 8241 N TRP B 323 136.786 213.878 191.968 1.00 0.00 -0.343 N +ATOM 8242 CB TRP B 323 138.339 213.789 193.874 1.00 0.00 0.072 C +ATOM 8243 CG TRP B 323 139.710 213.600 193.309 1.00 0.00 -0.020 A +ATOM 8244 CD1 TRP B 323 140.040 212.985 192.137 1.00 0.00 0.087 A +ATOM 8245 CD2 TRP B 323 140.941 214.027 193.899 1.00 0.00 0.003 A +ATOM 8246 NE1 TRP B 323 141.401 213.004 191.960 1.00 0.00 -0.359 N +ATOM 8247 CE2 TRP B 323 141.977 213.639 193.029 1.00 0.00 0.046 A +ATOM 8248 CE3 TRP B 323 141.268 214.700 195.078 1.00 0.00 0.010 A +ATOM 8249 HE1 TRP B 323 141.822 212.673 191.288 1.00 0.00 0.166 HD +ATOM 8250 CZ2 TRP B 323 143.315 213.902 193.300 1.00 0.00 0.026 A +ATOM 8251 CZ3 TRP B 323 142.593 214.959 195.345 1.00 0.00 0.001 A +ATOM 8252 CH2 TRP B 323 143.602 214.561 194.460 1.00 0.00 0.002 A +ATOM 8253 H TRP B 323 136.960 214.717 192.045 1.00 0.00 0.164 HD +ATOM 8254 C GLY B 324 135.614 211.559 196.999 1.00 0.00 0.239 C +ATOM 8255 O GLY B 324 136.700 212.111 197.179 1.00 0.00 -0.273 OA +ATOM 8256 CA GLY B 324 135.196 211.098 195.617 1.00 0.00 0.216 C +ATOM 8257 N GLY B 324 136.140 211.523 194.604 1.00 0.00 -0.346 N +ATOM 8258 H GLY B 324 136.716 210.921 194.391 1.00 0.00 0.164 HD +ATOM 8259 C ASP B 325 136.292 211.077 199.894 1.00 0.00 0.242 C +ATOM 8260 O ASP B 325 137.038 211.718 200.632 1.00 0.00 -0.273 OA +ATOM 8261 CA ASP B 325 135.001 211.695 199.362 1.00 0.00 0.176 C +ATOM 8262 N ASP B 325 134.744 211.326 197.975 1.00 0.00 -0.343 N +ATOM 8263 CB ASP B 325 133.813 211.273 200.234 1.00 0.00 0.087 C +ATOM 8264 CG ASP B 325 134.144 211.253 201.713 1.00 0.00 0.044 C +ATOM 8265 OD1 ASP B 325 134.156 212.332 202.336 1.00 0.00 -0.548 OA +ATOM 8266 OD2 ASP B 325 134.376 210.154 202.257 1.00 0.00 -0.549 OA +ATOM 8267 H ASP B 325 133.981 210.947 197.856 1.00 0.00 0.164 HD +ATOM 8268 C GLU B 326 139.032 209.756 199.662 1.00 0.00 0.242 C +ATOM 8269 O GLU B 326 139.867 210.022 200.526 1.00 0.00 -0.273 OA +ATOM 8270 CA GLU B 326 137.704 209.106 200.048 1.00 0.00 0.171 C +ATOM 8271 N GLU B 326 136.558 209.833 199.513 1.00 0.00 -0.344 N +ATOM 8272 CB GLU B 326 137.678 207.650 199.574 1.00 0.00 0.041 C +ATOM 8273 CG GLU B 326 138.804 206.783 200.131 1.00 0.00 0.055 C +ATOM 8274 CD GLU B 326 138.733 206.610 201.635 1.00 0.00 0.041 C +ATOM 8275 OE1 GLU B 326 137.693 206.954 202.233 1.00 0.00 -0.548 OA +ATOM 8276 OE2 GLU B 326 139.720 206.126 202.223 1.00 0.00 -0.549 OA +ATOM 8277 H GLU B 326 136.091 209.387 198.946 1.00 0.00 0.164 HD +ATOM 8278 C GLN B 327 140.681 212.000 198.391 1.00 0.00 0.242 C +ATOM 8279 O GLN B 327 141.803 212.436 198.637 1.00 0.00 -0.273 OA +ATOM 8280 CA GLN B 327 140.497 210.565 197.904 1.00 0.00 0.171 C +ATOM 8281 N GLN B 327 139.233 210.008 198.372 1.00 0.00 -0.343 N +ATOM 8282 CB GLN B 327 140.588 210.512 196.378 1.00 0.00 0.045 C +ATOM 8283 CG GLN B 327 141.944 210.938 195.840 1.00 0.00 0.102 C +ATOM 8284 CD GLN B 327 142.162 210.548 194.390 1.00 0.00 0.217 C +ATOM 8285 OE1 GLN B 327 141.223 210.185 193.681 1.00 0.00 -0.275 OA +ATOM 8286 NE2 GLN B 327 143.410 210.617 193.945 1.00 0.00 -0.368 N +ATOM 8287 HE22 GLN B 327 144.041 210.872 194.470 1.00 0.00 0.159 HD +ATOM 8288 HE21 GLN B 327 143.588 210.406 193.130 1.00 0.00 0.159 HD +ATOM 8289 H GLN B 327 138.655 209.867 197.750 1.00 0.00 0.164 HD +ATOM 8290 C LEU B 328 140.103 214.085 200.509 1.00 0.00 0.243 C +ATOM 8291 O LEU B 328 140.939 214.903 200.893 1.00 0.00 -0.272 OA +ATOM 8292 CA LEU B 328 139.624 214.084 199.060 1.00 0.00 0.172 C +ATOM 8293 N LEU B 328 139.578 212.726 198.532 1.00 0.00 -0.345 N +ATOM 8294 CB LEU B 328 138.251 214.747 198.957 1.00 0.00 0.038 C +ATOM 8295 CG LEU B 328 137.799 215.121 197.544 1.00 0.00 -0.015 C +ATOM 8296 CD1 LEU B 328 136.291 215.292 197.495 1.00 0.00 0.007 C +ATOM 8297 CD2 LEU B 328 138.498 216.393 197.076 1.00 0.00 0.007 C +ATOM 8298 H LEU B 328 138.788 212.454 198.328 1.00 0.00 0.165 HD +ATOM 8299 C PHE B 329 141.471 212.674 202.807 1.00 0.00 0.243 C +ATOM 8300 O PHE B 329 142.244 213.364 203.470 1.00 0.00 -0.272 OA +ATOM 8301 CA PHE B 329 139.996 213.044 202.701 1.00 0.00 0.175 C +ATOM 8302 N PHE B 329 139.572 213.167 201.312 1.00 0.00 -0.343 N +ATOM 8303 CB PHE B 329 139.163 211.996 203.444 1.00 0.00 0.070 C +ATOM 8304 CG PHE B 329 139.689 211.679 204.814 1.00 0.00 -0.045 A +ATOM 8305 CD1 PHE B 329 139.427 212.520 205.881 1.00 0.00 0.004 A +ATOM 8306 CD2 PHE B 329 140.462 210.552 205.031 1.00 0.00 0.004 A +ATOM 8307 CE1 PHE B 329 139.919 212.238 207.140 1.00 0.00 0.000 A +ATOM 8308 CE2 PHE B 329 140.957 210.266 206.288 1.00 0.00 0.000 A +ATOM 8309 CZ PHE B 329 140.684 211.111 207.345 1.00 0.00 0.000 A +ATOM 8310 H PHE B 329 138.967 212.604 201.076 1.00 0.00 0.164 HD +ATOM 8311 C GLN B 330 144.230 212.083 201.740 1.00 0.00 0.242 C +ATOM 8312 O GLN B 330 145.266 212.287 202.366 1.00 0.00 -0.273 OA +ATOM 8313 CA GLN B 330 143.211 211.063 202.238 1.00 0.00 0.171 C +ATOM 8314 N GLN B 330 141.849 211.578 202.157 1.00 0.00 -0.343 N +ATOM 8315 CB GLN B 330 143.345 209.769 201.431 1.00 0.00 0.045 C +ATOM 8316 CG GLN B 330 142.464 208.626 201.914 1.00 0.00 0.102 C +ATOM 8317 CD GLN B 330 142.914 208.036 203.233 1.00 0.00 0.217 C +ATOM 8318 OE1 GLN B 330 144.013 208.309 203.712 1.00 0.00 -0.275 OA +ATOM 8319 NE2 GLN B 330 142.061 207.216 203.828 1.00 0.00 -0.368 N +ATOM 8320 HE22 GLN B 330 141.302 207.046 203.462 1.00 0.00 0.159 HD +ATOM 8321 HE21 GLN B 330 142.267 206.853 204.580 1.00 0.00 0.159 HD +ATOM 8322 H GLN B 330 141.328 211.110 201.658 1.00 0.00 0.164 HD +ATOM 8323 C THR B 331 145.018 214.900 200.931 1.00 0.00 0.245 C +ATOM 8324 O THR B 331 146.102 215.469 201.036 1.00 0.00 -0.273 OA +ATOM 8325 CA THR B 331 144.866 213.678 200.029 1.00 0.00 0.199 C +ATOM 8326 N THR B 331 143.934 212.724 200.616 1.00 0.00 -0.341 N +ATOM 8327 CB THR B 331 144.415 214.115 198.624 1.00 0.00 0.143 C +ATOM 8328 CG2 THR B 331 145.435 215.058 197.992 1.00 0.00 0.041 C +ATOM 8329 OG1 THR B 331 144.270 212.960 197.790 1.00 0.00 -0.389 OA +ATOM 8330 HG1 THR B 331 143.696 212.441 198.115 1.00 0.00 0.211 HD +ATOM 8331 H THR B 331 143.202 212.625 200.174 1.00 0.00 0.164 HD +ATOM 8332 C SER B 332 144.875 216.089 203.708 1.00 0.00 0.244 C +ATOM 8333 O SER B 332 145.621 216.945 204.176 1.00 0.00 -0.272 OA +ATOM 8334 CA SER B 332 143.970 216.407 202.527 1.00 0.00 0.197 C +ATOM 8335 N SER B 332 143.932 215.290 201.591 1.00 0.00 -0.342 N +ATOM 8336 CB SER B 332 142.564 216.748 203.028 1.00 0.00 0.191 C +ATOM 8337 OG SER B 332 141.826 217.452 202.047 1.00 0.00 -0.392 OA +ATOM 8338 HG SER B 332 141.058 217.631 202.338 1.00 0.00 0.210 HD +ATOM 8339 H SER B 332 143.158 214.923 201.513 1.00 0.00 0.164 HD +ATOM 8340 C ARG B 333 147.094 214.476 204.977 1.00 0.00 0.242 C +ATOM 8341 O ARG B 333 147.906 214.920 205.788 1.00 0.00 -0.273 OA +ATOM 8342 CA ARG B 333 145.607 214.418 205.317 1.00 0.00 0.171 C +ATOM 8343 N ARG B 333 144.797 214.853 204.189 1.00 0.00 -0.344 N +ATOM 8344 CB ARG B 333 145.213 213.004 205.743 1.00 0.00 0.038 C +ATOM 8345 CG ARG B 333 146.099 212.409 206.831 1.00 0.00 0.040 C +ATOM 8346 CD ARG B 333 145.522 211.115 207.383 1.00 0.00 0.197 C +ATOM 8347 NE ARG B 333 146.159 210.735 208.640 1.00 0.00 -0.278 N +ATOM 8348 HE ARG B 333 146.834 211.199 208.902 1.00 0.00 0.260 HD +ATOM 8349 CZ ARG B 333 145.768 209.723 209.407 1.00 0.00 0.339 C +ATOM 8350 NH1 ARG B 333 144.735 208.969 209.053 1.00 0.00 -0.290 N +ATOM 8351 NH2 ARG B 333 146.414 209.465 210.534 1.00 0.00 -0.290 N +ATOM 8352 HH12 ARG B 333 144.312 209.134 208.323 1.00 0.00 0.256 HD +ATOM 8353 HH11 ARG B 333 144.488 208.315 209.554 1.00 0.00 0.256 HD +ATOM 8354 HH22 ARG B 333 147.084 209.950 210.766 1.00 0.00 0.256 HD +ATOM 8355 HH21 ARG B 333 146.165 208.809 211.031 1.00 0.00 0.256 HD +ATOM 8356 H ARG B 333 144.278 214.243 203.876 1.00 0.00 0.164 HD +ATOM 8357 C LEU B 334 149.331 215.512 203.251 1.00 0.00 0.243 C +ATOM 8358 O LEU B 334 150.492 215.796 203.545 1.00 0.00 -0.272 OA +ATOM 8359 CA LEU B 334 148.836 214.072 203.337 1.00 0.00 0.172 C +ATOM 8360 N LEU B 334 147.449 214.031 203.777 1.00 0.00 -0.345 N +ATOM 8361 CB LEU B 334 148.997 213.374 201.985 1.00 0.00 0.038 C +ATOM 8362 CG LEU B 334 148.801 211.853 201.951 1.00 0.00 -0.015 C +ATOM 8363 CD1 LEU B 334 149.087 211.322 200.557 1.00 0.00 0.007 C +ATOM 8364 CD2 LEU B 334 149.681 211.150 202.972 1.00 0.00 0.007 C +ATOM 8365 H LEU B 334 146.904 213.700 203.199 1.00 0.00 0.165 HD +ATOM 8366 C ILE B 335 149.013 218.410 204.168 1.00 0.00 0.243 C +ATOM 8367 O ILE B 335 149.987 219.122 204.410 1.00 0.00 -0.272 OA +ATOM 8368 CA ILE B 335 148.807 217.829 202.773 1.00 0.00 0.174 C +ATOM 8369 N ILE B 335 148.448 216.423 202.858 1.00 0.00 -0.343 N +ATOM 8370 CB ILE B 335 147.735 218.635 202.006 1.00 0.00 0.018 C +ATOM 8371 CG2 ILE B 335 147.874 220.135 202.270 1.00 0.00 0.010 C +ATOM 8372 CG1 ILE B 335 147.868 218.364 200.505 1.00 0.00 0.002 C +ATOM 8373 CD1 ILE B 335 146.698 218.843 199.679 1.00 0.00 0.004 C +ATOM 8374 H ILE B 335 147.635 216.251 202.636 1.00 0.00 0.164 HD +ATOM 8375 C LEU B 336 149.406 218.071 207.184 1.00 0.00 0.243 C +ATOM 8376 O LEU B 336 149.968 218.740 208.048 1.00 0.00 -0.272 OA +ATOM 8377 CA LEU B 336 148.194 218.634 206.440 1.00 0.00 0.172 C +ATOM 8378 N LEU B 336 148.104 218.100 205.086 1.00 0.00 -0.345 N +ATOM 8379 CB LEU B 336 146.911 218.348 207.224 1.00 0.00 0.038 C +ATOM 8380 CG LEU B 336 145.904 219.505 207.255 1.00 0.00 -0.015 C +ATOM 8381 CD1 LEU B 336 145.288 219.731 205.884 1.00 0.00 0.007 C +ATOM 8382 CD2 LEU B 336 144.820 219.255 208.289 1.00 0.00 0.007 C +ATOM 8383 H LEU B 336 147.429 217.585 204.952 1.00 0.00 0.165 HD +ATOM 8384 C ILE B 337 152.227 217.121 206.945 1.00 0.00 0.243 C +ATOM 8385 O ILE B 337 153.073 217.492 207.755 1.00 0.00 -0.272 OA +ATOM 8386 CA ILE B 337 151.038 216.276 207.390 1.00 0.00 0.174 C +ATOM 8387 N ILE B 337 149.812 216.850 206.844 1.00 0.00 -0.343 N +ATOM 8388 CB ILE B 337 151.227 214.804 206.949 1.00 0.00 0.018 C +ATOM 8389 CG2 ILE B 337 152.672 214.332 207.181 1.00 0.00 0.010 C +ATOM 8390 CG1 ILE B 337 150.263 213.897 207.718 1.00 0.00 0.002 C +ATOM 8391 CD1 ILE B 337 150.174 212.491 207.179 1.00 0.00 0.004 C +ATOM 8392 H ILE B 337 149.394 216.333 206.298 1.00 0.00 0.164 HD +ATOM 8393 C GLY B 338 153.333 219.656 205.722 1.00 0.00 0.239 C +ATOM 8394 O GLY B 338 154.397 220.199 206.015 1.00 0.00 -0.273 OA +ATOM 8395 CA GLY B 338 153.322 218.271 205.105 1.00 0.00 0.216 C +ATOM 8396 N GLY B 338 152.278 217.424 205.653 1.00 0.00 -0.346 N +ATOM 8397 H GLY B 338 151.710 217.148 205.069 1.00 0.00 0.164 HD +ATOM 8398 C GLU B 339 152.616 221.495 207.961 1.00 0.00 0.242 C +ATOM 8399 O GLU B 339 153.270 222.445 208.391 1.00 0.00 -0.273 OA +ATOM 8400 CA GLU B 339 152.021 221.530 206.564 1.00 0.00 0.171 C +ATOM 8401 N GLU B 339 152.150 220.231 205.911 1.00 0.00 -0.344 N +ATOM 8402 CB GLU B 339 150.556 221.958 206.657 1.00 0.00 0.041 C +ATOM 8403 CG GLU B 339 149.916 222.347 205.340 1.00 0.00 0.055 C +ATOM 8404 CD GLU B 339 148.504 222.857 205.525 1.00 0.00 0.041 C +ATOM 8405 OE1 GLU B 339 148.313 223.800 206.320 1.00 0.00 -0.548 OA +ATOM 8406 OE2 GLU B 339 147.585 222.309 204.884 1.00 0.00 -0.549 OA +ATOM 8407 H GLU B 339 151.400 219.886 205.669 1.00 0.00 0.164 HD +ATOM 8408 C THR B 340 154.358 220.258 210.090 1.00 0.00 0.245 C +ATOM 8409 O THR B 340 154.955 221.038 210.827 1.00 0.00 -0.273 OA +ATOM 8410 CA THR B 340 152.839 220.246 210.038 1.00 0.00 0.199 C +ATOM 8411 N THR B 340 152.371 220.397 208.666 1.00 0.00 -0.341 N +ATOM 8412 CB THR B 340 152.316 218.940 210.670 1.00 0.00 0.143 C +ATOM 8413 CG2 THR B 340 152.676 218.868 212.148 1.00 0.00 0.041 C +ATOM 8414 OG1 THR B 340 150.893 218.877 210.530 1.00 0.00 -0.389 OA +ATOM 8415 HG1 THR B 340 150.683 218.894 209.717 1.00 0.00 0.211 HD +ATOM 8416 H THR B 340 151.933 219.719 208.370 1.00 0.00 0.164 HD +ATOM 8417 C ILE B 341 157.049 220.623 208.839 1.00 0.00 0.243 C +ATOM 8418 O ILE B 341 158.043 221.066 209.414 1.00 0.00 -0.272 OA +ATOM 8419 CA ILE B 341 156.431 219.287 209.259 1.00 0.00 0.174 C +ATOM 8420 N ILE B 341 154.978 219.393 209.297 1.00 0.00 -0.343 N +ATOM 8421 CB ILE B 341 156.872 218.158 208.301 1.00 0.00 0.018 C +ATOM 8422 CG2 ILE B 341 158.390 218.129 208.151 1.00 0.00 0.010 C +ATOM 8423 CG1 ILE B 341 156.355 216.810 208.819 1.00 0.00 0.002 C +ATOM 8424 CD1 ILE B 341 156.551 215.656 207.863 1.00 0.00 0.004 C +ATOM 8425 H ILE B 341 154.575 218.850 208.766 1.00 0.00 0.164 HD +ATOM 8426 C LYS B 342 156.900 223.600 208.507 1.00 0.00 0.242 C +ATOM 8427 O LYS B 342 157.912 224.266 208.723 1.00 0.00 -0.273 OA +ATOM 8428 CA LYS B 342 156.865 222.573 207.375 1.00 0.00 0.171 C +ATOM 8429 N LYS B 342 156.443 221.258 207.843 1.00 0.00 -0.344 N +ATOM 8430 CB LYS B 342 155.927 223.051 206.264 1.00 0.00 0.035 C +ATOM 8431 CG LYS B 342 156.151 224.481 205.792 1.00 0.00 0.008 C +ATOM 8432 CD LYS B 342 157.454 224.623 205.038 1.00 0.00 0.061 C +ATOM 8433 CE LYS B 342 157.531 225.965 204.330 1.00 0.00 0.258 C +ATOM 8434 NZ LYS B 342 158.697 226.040 203.415 1.00 0.00 -0.357 N +ATOM 8435 HZ1 LYS B 342 158.718 226.834 203.014 1.00 0.00 0.345 HD +ATOM 8436 HZ2 LYS B 342 159.451 225.926 203.873 1.00 0.00 0.345 HD +ATOM 8437 HZ3 LYS B 342 158.636 225.404 202.794 1.00 0.00 0.345 HD +ATOM 8438 H LYS B 342 155.770 220.941 207.412 1.00 0.00 0.164 HD +ATOM 8439 C ILE B 343 156.599 224.396 211.440 1.00 0.00 0.243 C +ATOM 8440 O ILE B 343 157.240 225.298 211.972 1.00 0.00 -0.272 OA +ATOM 8441 CA ILE B 343 155.649 224.702 210.291 1.00 0.00 0.174 C +ATOM 8442 N ILE B 343 155.784 223.725 209.216 1.00 0.00 -0.343 N +ATOM 8443 CB ILE B 343 154.190 224.754 210.819 1.00 0.00 0.018 C +ATOM 8444 CG2 ILE B 343 154.092 225.578 212.109 1.00 0.00 0.010 C +ATOM 8445 CG1 ILE B 343 153.273 225.353 209.751 1.00 0.00 0.002 C +ATOM 8446 CD1 ILE B 343 151.803 225.277 210.080 1.00 0.00 0.004 C +ATOM 8447 H ILE B 343 155.080 223.247 209.092 1.00 0.00 0.164 HD +ATOM 8448 C VAL B 344 158.990 223.084 212.669 1.00 0.00 0.243 C +ATOM 8449 O VAL B 344 159.663 223.650 213.525 1.00 0.00 -0.272 OA +ATOM 8450 CA VAL B 344 157.529 222.725 212.939 1.00 0.00 0.173 C +ATOM 8451 N VAL B 344 156.679 223.127 211.824 1.00 0.00 -0.343 N +ATOM 8452 CB VAL B 344 157.406 221.214 213.224 1.00 0.00 0.015 C +ATOM 8453 CG1 VAL B 344 158.541 220.720 214.131 1.00 0.00 0.010 C +ATOM 8454 CG2 VAL B 344 156.058 220.917 213.860 1.00 0.00 0.010 C +ATOM 8455 H VAL B 344 156.252 222.479 211.455 1.00 0.00 0.164 HD +ATOM 8456 C ILE B 345 161.114 224.558 211.045 1.00 0.00 0.243 C +ATOM 8457 O ILE B 345 162.027 225.083 211.678 1.00 0.00 -0.272 OA +ATOM 8458 CA ILE B 345 160.872 223.050 211.149 1.00 0.00 0.174 C +ATOM 8459 N ILE B 345 159.483 222.756 211.481 1.00 0.00 -0.343 N +ATOM 8460 CB ILE B 345 161.294 222.359 209.829 1.00 0.00 0.018 C +ATOM 8461 CG2 ILE B 345 162.648 222.891 209.335 1.00 0.00 0.010 C +ATOM 8462 CG1 ILE B 345 161.369 220.842 210.042 1.00 0.00 0.002 C +ATOM 8463 CD1 ILE B 345 161.707 220.043 208.798 1.00 0.00 0.004 C +ATOM 8464 H ILE B 345 159.040 222.367 210.855 1.00 0.00 0.164 HD +ATOM 8465 C GLU B 346 160.005 227.729 210.765 1.00 0.00 0.242 C +ATOM 8466 O GLU B 346 160.306 228.901 210.568 1.00 0.00 -0.273 OA +ATOM 8467 CA GLU B 346 160.606 226.633 209.882 1.00 0.00 0.171 C +ATOM 8468 N GLU B 346 160.289 225.256 210.271 1.00 0.00 -0.344 N +ATOM 8469 CB GLU B 346 160.180 226.861 208.435 1.00 0.00 0.041 C +ATOM 8470 CG GLU B 346 161.015 226.061 207.440 1.00 0.00 0.055 C +ATOM 8471 CD GLU B 346 160.746 226.433 205.997 1.00 0.00 0.041 C +ATOM 8472 OE1 GLU B 346 160.101 227.475 205.755 1.00 0.00 -0.548 OA +ATOM 8473 OE2 GLU B 346 161.182 225.678 205.103 1.00 0.00 -0.549 OA +ATOM 8474 H GLU B 346 159.544 224.962 209.959 1.00 0.00 0.164 HD +ATOM 8475 C ASP B 347 158.924 227.899 214.133 1.00 0.00 0.242 C +ATOM 8476 O ASP B 347 159.466 228.666 214.926 1.00 0.00 -0.273 OA +ATOM 8477 CA ASP B 347 158.646 228.328 212.700 1.00 0.00 0.176 C +ATOM 8478 N ASP B 347 159.178 227.360 211.737 1.00 0.00 -0.343 N +ATOM 8479 CB ASP B 347 157.140 228.522 212.508 1.00 0.00 0.087 C +ATOM 8480 CG ASP B 347 156.806 229.282 211.241 1.00 0.00 0.044 C +ATOM 8481 OD1 ASP B 347 157.467 230.304 210.965 1.00 0.00 -0.548 OA +ATOM 8482 OD2 ASP B 347 155.886 228.853 210.520 1.00 0.00 -0.549 OA +ATOM 8483 H ASP B 347 158.906 226.554 211.864 1.00 0.00 0.164 HD +ATOM 8484 C TYR B 348 160.115 225.914 216.222 1.00 0.00 0.243 C +ATOM 8485 O TYR B 348 160.592 226.509 217.188 1.00 0.00 -0.272 OA +ATOM 8486 CA TYR B 348 158.658 226.147 215.811 1.00 0.00 0.175 C +ATOM 8487 N TYR B 348 158.545 226.668 214.455 1.00 0.00 -0.343 N +ATOM 8488 CB TYR B 348 157.850 224.853 215.922 1.00 0.00 0.070 C +ATOM 8489 CG TYR B 348 157.890 224.173 217.265 1.00 0.00 -0.045 A +ATOM 8490 CD1 TYR B 348 157.086 224.601 218.307 1.00 0.00 0.007 A +ATOM 8491 CD2 TYR B 348 158.713 223.078 217.481 1.00 0.00 0.007 A +ATOM 8492 CE1 TYR B 348 157.110 223.967 219.532 1.00 0.00 0.046 A +ATOM 8493 CE2 TYR B 348 158.745 222.439 218.702 1.00 0.00 0.046 A +ATOM 8494 CZ TYR B 348 157.942 222.888 219.724 1.00 0.00 0.115 A +ATOM 8495 OH TYR B 348 157.972 222.256 220.940 1.00 0.00 -0.507 OA +ATOM 8496 HH TYR B 348 158.519 221.618 220.919 1.00 0.00 0.294 HD +ATOM 8497 H TYR B 348 158.214 226.105 213.895 1.00 0.00 0.164 HD +ATOM 8498 C VAL B 349 163.062 226.043 215.528 1.00 0.00 0.243 C +ATOM 8499 O VAL B 349 164.019 226.312 216.252 1.00 0.00 -0.272 OA +ATOM 8500 CA VAL B 349 162.230 224.793 215.781 1.00 0.00 0.173 C +ATOM 8501 N VAL B 349 160.823 225.055 215.491 1.00 0.00 -0.343 N +ATOM 8502 CB VAL B 349 162.789 223.624 214.939 1.00 0.00 0.015 C +ATOM 8503 CG1 VAL B 349 164.297 223.443 215.177 1.00 0.00 0.010 C +ATOM 8504 CG2 VAL B 349 162.053 222.337 215.274 1.00 0.00 0.010 C +ATOM 8505 H VAL B 349 160.512 224.611 214.823 1.00 0.00 0.164 HD +ATOM 8506 C GLN B 350 163.389 228.968 215.391 1.00 0.00 0.242 C +ATOM 8507 O GLN B 350 164.437 229.460 215.804 1.00 0.00 -0.273 OA +ATOM 8508 CA GLN B 350 163.385 228.047 214.183 1.00 0.00 0.171 C +ATOM 8509 N GLN B 350 162.697 226.799 214.497 1.00 0.00 -0.343 N +ATOM 8510 CB GLN B 350 162.727 228.751 212.999 1.00 0.00 0.045 C +ATOM 8511 CG GLN B 350 163.413 230.048 212.589 1.00 0.00 0.102 C +ATOM 8512 CD GLN B 350 164.807 229.819 212.046 1.00 0.00 0.217 C +ATOM 8513 OE1 GLN B 350 165.002 229.033 211.121 1.00 0.00 -0.275 OA +ATOM 8514 NE2 GLN B 350 165.785 230.497 212.625 1.00 0.00 -0.368 N +ATOM 8515 HE22 GLN B 350 165.611 231.033 213.275 1.00 0.00 0.159 HD +ATOM 8516 HE21 GLN B 350 166.595 230.401 212.352 1.00 0.00 0.159 HD +ATOM 8517 H GLN B 350 162.051 226.611 213.962 1.00 0.00 0.164 HD +ATOM 8518 C HIS B 351 162.843 229.361 218.295 1.00 0.00 0.242 C +ATOM 8519 O HIS B 351 163.563 230.007 219.052 1.00 0.00 -0.272 OA +ATOM 8520 CA HIS B 351 162.099 230.021 217.152 1.00 0.00 0.177 C +ATOM 8521 N HIS B 351 162.208 229.210 215.949 1.00 0.00 -0.343 N +ATOM 8522 CB HIS B 351 160.641 230.224 217.557 1.00 0.00 0.093 C +ATOM 8523 CG HIS B 351 160.481 230.661 218.977 1.00 0.00 0.061 A +ATOM 8524 ND1 HIS B 351 160.672 231.965 219.379 1.00 0.00 -0.242 NA +ATOM 8525 CD2 HIS B 351 160.186 229.961 220.097 1.00 0.00 0.107 A +ATOM 8526 CE1 HIS B 351 160.483 232.053 220.683 1.00 0.00 0.196 A +ATOM 8527 NE2 HIS B 351 160.187 230.851 221.142 1.00 0.00 -0.350 N +ATOM 8528 HE2 HIS B 351 160.021 230.657 221.963 1.00 0.00 0.167 HD +ATOM 8529 H HIS B 351 161.457 228.916 215.650 1.00 0.00 0.164 HD +ATOM 8530 C LEU B 352 164.721 227.331 219.558 1.00 0.00 0.243 C +ATOM 8531 O LEU B 352 165.312 227.441 220.630 1.00 0.00 -0.272 OA +ATOM 8532 CA LEU B 352 163.194 227.284 219.507 1.00 0.00 0.172 C +ATOM 8533 N LEU B 352 162.645 228.058 218.410 1.00 0.00 -0.345 N +ATOM 8534 CB LEU B 352 162.721 225.838 219.383 1.00 0.00 0.038 C +ATOM 8535 CG LEU B 352 163.063 224.903 220.531 1.00 0.00 -0.015 C +ATOM 8536 CD1 LEU B 352 162.584 225.505 221.830 1.00 0.00 0.007 C +ATOM 8537 CD2 LEU B 352 162.415 223.555 220.281 1.00 0.00 0.007 C +ATOM 8538 H LEU B 352 162.186 227.591 217.854 1.00 0.00 0.165 HD +ATOM 8539 C SER B 353 167.473 228.489 218.659 1.00 0.00 0.244 C +ATOM 8540 O SER B 353 168.561 228.503 219.234 1.00 0.00 -0.272 OA +ATOM 8541 CA SER B 353 166.802 227.171 218.295 1.00 0.00 0.197 C +ATOM 8542 N SER B 353 165.350 227.241 218.391 1.00 0.00 -0.342 N +ATOM 8543 CB SER B 353 167.211 226.772 216.878 1.00 0.00 0.191 C +ATOM 8544 OG SER B 353 167.014 227.852 215.976 1.00 0.00 -0.392 OA +ATOM 8545 HG SER B 353 166.204 228.075 215.968 1.00 0.00 0.210 HD +ATOM 8546 H SER B 353 164.951 227.219 217.629 1.00 0.00 0.164 HD +ATOM 8547 C GLY B 354 168.347 231.280 217.379 1.00 0.00 0.239 C +ATOM 8548 O GLY B 354 168.976 232.334 217.406 1.00 0.00 -0.273 OA +ATOM 8549 CA GLY B 354 167.397 230.912 218.504 1.00 0.00 0.216 C +ATOM 8550 N GLY B 354 166.821 229.594 218.312 1.00 0.00 -0.346 N +ATOM 8551 H GLY B 354 166.036 229.603 217.961 1.00 0.00 0.164 HD +ATOM 8552 C TYR B 355 169.032 231.746 214.374 1.00 0.00 0.243 C +ATOM 8553 O TYR B 355 167.853 232.025 214.152 1.00 0.00 -0.272 OA +ATOM 8554 CA TYR B 355 169.397 230.582 215.291 1.00 0.00 0.175 C +ATOM 8555 N TYR B 355 168.445 230.407 216.383 1.00 0.00 -0.343 N +ATOM 8556 CB TYR B 355 169.487 229.302 214.454 1.00 0.00 0.070 C +ATOM 8557 CG TYR B 355 169.993 228.078 215.188 1.00 0.00 -0.045 A +ATOM 8558 CD1 TYR B 355 170.617 228.180 216.424 1.00 0.00 0.007 A +ATOM 8559 CD2 TYR B 355 169.853 226.815 214.631 1.00 0.00 0.007 A +ATOM 8560 CE1 TYR B 355 171.082 227.056 217.084 1.00 0.00 0.046 A +ATOM 8561 CE2 TYR B 355 170.314 225.691 215.282 1.00 0.00 0.046 A +ATOM 8562 CZ TYR B 355 170.927 225.815 216.507 1.00 0.00 0.115 A +ATOM 8563 OH TYR B 355 171.385 224.688 217.152 1.00 0.00 -0.507 OA +ATOM 8564 HH TYR B 355 171.737 224.900 217.885 1.00 0.00 0.294 HD +ATOM 8565 H TYR B 355 167.966 229.696 216.316 1.00 0.00 0.164 HD +ATOM 8566 C HIS B 356 169.871 232.737 211.427 1.00 0.00 0.242 C +ATOM 8567 O HIS B 356 169.323 233.265 210.461 1.00 0.00 -0.272 OA +ATOM 8568 CA HIS B 356 169.866 233.413 212.792 1.00 0.00 0.177 C +ATOM 8569 N HIS B 356 170.053 232.414 213.842 1.00 0.00 -0.343 N +ATOM 8570 CB HIS B 356 170.956 234.483 212.841 1.00 0.00 0.093 C +ATOM 8571 CG HIS B 356 170.939 235.308 214.087 1.00 0.00 0.061 A +ATOM 8572 ND1 HIS B 356 169.813 235.969 214.528 1.00 0.00 -0.242 NA +ATOM 8573 CD2 HIS B 356 171.914 235.585 214.984 1.00 0.00 0.107 A +ATOM 8574 CE1 HIS B 356 170.094 236.613 215.646 1.00 0.00 0.196 A +ATOM 8575 NE2 HIS B 356 171.363 236.398 215.944 1.00 0.00 -0.350 N +ATOM 8576 HE2 HIS B 356 171.776 236.715 216.628 1.00 0.00 0.167 HD +ATOM 8577 H HIS B 356 170.874 232.305 214.074 1.00 0.00 0.164 HD +ATOM 8578 C PHE B 357 168.991 230.295 209.969 1.00 0.00 0.243 C +ATOM 8579 O PHE B 357 168.351 229.853 210.920 1.00 0.00 -0.272 OA +ATOM 8580 CA PHE B 357 170.430 230.751 210.149 1.00 0.00 0.175 C +ATOM 8581 N PHE B 357 170.513 231.575 211.346 1.00 0.00 -0.343 N +ATOM 8582 CB PHE B 357 171.364 229.544 210.235 1.00 0.00 0.070 C +ATOM 8583 CG PHE B 357 171.123 228.521 209.162 1.00 0.00 -0.045 A +ATOM 8584 CD1 PHE B 357 171.586 228.726 207.874 1.00 0.00 0.004 A +ATOM 8585 CD2 PHE B 357 170.425 227.359 209.441 1.00 0.00 0.004 A +ATOM 8586 CE1 PHE B 357 171.361 227.789 206.886 1.00 0.00 0.000 A +ATOM 8587 CE2 PHE B 357 170.197 226.418 208.454 1.00 0.00 0.000 A +ATOM 8588 CZ PHE B 357 170.666 226.634 207.176 1.00 0.00 0.000 A +ATOM 8589 H PHE B 357 171.003 231.244 211.970 1.00 0.00 0.164 HD +ATOM 8590 C LYS B 358 166.901 228.636 208.117 1.00 0.00 0.242 C +ATOM 8591 O LYS B 358 167.311 228.184 207.048 1.00 0.00 -0.273 OA +ATOM 8592 CA LYS B 358 167.089 230.108 208.468 1.00 0.00 0.171 C +ATOM 8593 N LYS B 358 168.486 230.408 208.747 1.00 0.00 -0.344 N +ATOM 8594 CB LYS B 358 166.582 230.995 207.333 1.00 0.00 0.035 C +ATOM 8595 CG LYS B 358 165.082 230.965 207.134 1.00 0.00 0.008 C +ATOM 8596 CD LYS B 358 164.666 231.972 206.077 1.00 0.00 0.061 C +ATOM 8597 CE LYS B 358 163.173 231.936 205.809 1.00 0.00 0.258 C +ATOM 8598 NZ LYS B 358 162.793 232.914 204.753 1.00 0.00 -0.357 N +ATOM 8599 HZ1 LYS B 358 161.916 232.879 204.609 1.00 0.00 0.345 HD +ATOM 8600 HZ2 LYS B 358 163.012 233.737 205.009 1.00 0.00 0.345 HD +ATOM 8601 HZ3 LYS B 358 163.219 232.723 203.995 1.00 0.00 0.345 HD +ATOM 8602 H LYS B 358 168.936 230.657 208.058 1.00 0.00 0.164 HD +ATOM 8603 C LEU B 359 165.094 226.281 207.622 1.00 0.00 0.243 C +ATOM 8604 O LEU B 359 164.290 227.154 207.302 1.00 0.00 -0.272 OA +ATOM 8605 CA LEU B 359 166.029 226.477 208.811 1.00 0.00 0.172 C +ATOM 8606 N LEU B 359 166.282 227.894 209.028 1.00 0.00 -0.345 N +ATOM 8607 CB LEU B 359 165.439 225.840 210.071 1.00 0.00 0.038 C +ATOM 8608 CG LEU B 359 166.323 225.933 211.319 1.00 0.00 -0.015 C +ATOM 8609 CD1 LEU B 359 165.585 225.416 212.549 1.00 0.00 0.007 C +ATOM 8610 CD2 LEU B 359 167.624 225.175 211.123 1.00 0.00 0.007 C +ATOM 8611 H LEU B 359 165.998 228.190 209.784 1.00 0.00 0.165 HD +ATOM 8612 C LYS B 360 163.902 223.433 205.766 1.00 0.00 0.242 C +ATOM 8613 O LYS B 360 164.632 222.471 206.007 1.00 0.00 -0.273 OA +ATOM 8614 CA LYS B 360 164.463 224.849 205.758 1.00 0.00 0.171 C +ATOM 8615 N LYS B 360 165.214 225.130 206.973 1.00 0.00 -0.344 N +ATOM 8616 CB LYS B 360 165.358 225.045 204.532 1.00 0.00 0.035 C +ATOM 8617 CG LYS B 360 164.646 224.877 203.202 1.00 0.00 0.008 C +ATOM 8618 CD LYS B 360 165.577 225.188 202.037 1.00 0.00 0.061 C +ATOM 8619 CE LYS B 360 164.834 225.199 200.712 1.00 0.00 0.258 C +ATOM 8620 NZ LYS B 360 165.681 224.707 199.593 1.00 0.00 -0.357 N +ATOM 8621 HZ1 LYS B 360 165.219 224.725 198.832 1.00 0.00 0.345 HD +ATOM 8622 HZ2 LYS B 360 166.401 225.223 199.507 1.00 0.00 0.345 HD +ATOM 8623 HZ3 LYS B 360 165.941 223.871 199.753 1.00 0.00 0.345 HD +ATOM 8624 H LYS B 360 165.730 224.488 207.220 1.00 0.00 0.164 HD +ATOM 8625 C PHE B 361 162.072 221.733 203.759 1.00 0.00 0.243 C +ATOM 8626 O PHE B 361 161.330 222.313 202.965 1.00 0.00 -0.272 OA +ATOM 8627 CA PHE B 361 161.997 222.022 205.250 1.00 0.00 0.175 C +ATOM 8628 N PHE B 361 162.602 223.317 205.513 1.00 0.00 -0.343 N +ATOM 8629 CB PHE B 361 160.543 221.970 205.722 1.00 0.00 0.070 C +ATOM 8630 CG PHE B 361 159.822 220.723 205.290 1.00 0.00 -0.045 A +ATOM 8631 CD1 PHE B 361 160.364 219.475 205.549 1.00 0.00 0.004 A +ATOM 8632 CD2 PHE B 361 158.615 220.797 204.621 1.00 0.00 0.004 A +ATOM 8633 CE1 PHE B 361 159.716 218.328 205.152 1.00 0.00 0.000 A +ATOM 8634 CE2 PHE B 361 157.961 219.650 204.223 1.00 0.00 0.000 A +ATOM 8635 CZ PHE B 361 158.514 218.412 204.491 1.00 0.00 0.000 A +ATOM 8636 H PHE B 361 162.050 223.976 205.489 1.00 0.00 0.164 HD +ATOM 8637 C ASP B 362 163.691 219.035 201.904 1.00 0.00 0.242 C +ATOM 8638 O ASP B 362 164.889 218.795 202.046 1.00 0.00 -0.273 OA +ATOM 8639 CA ASP B 362 163.171 220.469 201.994 1.00 0.00 0.176 C +ATOM 8640 N ASP B 362 162.979 220.837 203.387 1.00 0.00 -0.343 N +ATOM 8641 CB ASP B 362 164.134 221.439 201.311 1.00 0.00 0.087 C +ATOM 8642 CG ASP B 362 164.322 221.134 199.838 1.00 0.00 0.044 C +ATOM 8643 OD1 ASP B 362 163.481 220.407 199.267 1.00 0.00 -0.548 OA +ATOM 8644 OD2 ASP B 362 165.307 221.625 199.248 1.00 0.00 -0.549 OA +ATOM 8645 H ASP B 362 163.501 220.424 203.931 1.00 0.00 0.164 HD +ATOM 8646 C PRO B 363 164.224 216.383 200.508 1.00 0.00 0.243 C +ATOM 8647 O PRO B 363 164.932 215.383 200.606 1.00 0.00 -0.271 OA +ATOM 8648 CA PRO B 363 163.159 216.657 201.568 1.00 0.00 0.175 C +ATOM 8649 N PRO B 363 162.783 218.071 201.693 1.00 0.00 -0.329 N +ATOM 8650 CB PRO B 363 161.835 215.990 201.193 1.00 0.00 0.037 C +ATOM 8651 CG PRO B 363 160.812 216.830 201.867 1.00 0.00 0.024 C +ATOM 8652 CD PRO B 363 161.318 218.238 201.749 1.00 0.00 0.121 C +ATOM 8653 C GLU B 364 166.755 217.175 198.941 1.00 0.00 0.242 C +ATOM 8654 O GLU B 364 167.674 216.651 198.316 1.00 0.00 -0.273 OA +ATOM 8655 CA GLU B 364 165.316 217.058 198.443 1.00 0.00 0.171 C +ATOM 8656 N GLU B 364 164.342 217.257 199.513 1.00 0.00 -0.344 N +ATOM 8657 CB GLU B 364 165.073 218.054 197.310 1.00 0.00 0.041 C +ATOM 8658 CG GLU B 364 163.912 217.677 196.406 1.00 0.00 0.055 C +ATOM 8659 CD GLU B 364 163.589 218.749 195.385 1.00 0.00 0.041 C +ATOM 8660 OE1 GLU B 364 164.533 219.368 194.854 1.00 0.00 -0.548 OA +ATOM 8661 OE2 GLU B 364 162.389 218.975 195.117 1.00 0.00 -0.549 OA +ATOM 8662 H GLU B 364 163.871 217.972 199.434 1.00 0.00 0.164 HD +ATOM 8663 C LEU B 365 168.887 216.608 200.976 1.00 0.00 0.243 C +ATOM 8664 O LEU B 365 170.107 216.469 201.014 1.00 0.00 -0.272 OA +ATOM 8665 CA LEU B 365 168.273 217.976 200.669 1.00 0.00 0.172 C +ATOM 8666 N LEU B 365 166.948 217.856 200.066 1.00 0.00 -0.345 N +ATOM 8667 CB LEU B 365 168.209 218.801 201.957 1.00 0.00 0.038 C +ATOM 8668 CG LEU B 365 167.687 220.238 201.860 1.00 0.00 -0.015 C +ATOM 8669 CD1 LEU B 365 167.633 220.868 203.246 1.00 0.00 0.007 C +ATOM 8670 CD2 LEU B 365 168.536 221.079 200.925 1.00 0.00 0.007 C +ATOM 8671 H LEU B 365 166.327 218.260 200.502 1.00 0.00 0.165 HD +ATOM 8672 C LEU B 366 168.490 213.210 200.573 1.00 0.00 0.243 C +ATOM 8673 O LEU B 366 168.900 212.082 200.829 1.00 0.00 -0.272 OA +ATOM 8674 CA LEU B 366 168.487 214.291 201.654 1.00 0.00 0.172 C +ATOM 8675 N LEU B 366 168.039 215.604 201.191 1.00 0.00 -0.345 N +ATOM 8676 CB LEU B 366 167.605 213.819 202.815 1.00 0.00 0.038 C +ATOM 8677 CG LEU B 366 167.662 214.613 204.120 1.00 0.00 -0.015 C +ATOM 8678 CD1 LEU B 366 166.674 214.033 205.123 1.00 0.00 0.007 C +ATOM 8679 CD2 LEU B 366 169.070 214.617 204.696 1.00 0.00 0.007 C +ATOM 8680 H LEU B 366 167.188 215.659 201.073 1.00 0.00 0.165 HD +ATOM 8681 C PHE B 367 169.186 211.919 197.844 1.00 0.00 0.243 C +ATOM 8682 O PHE B 367 169.190 210.797 197.341 1.00 0.00 -0.272 OA +ATOM 8683 CA PHE B 367 167.867 212.540 198.323 1.00 0.00 0.175 C +ATOM 8684 N PHE B 367 168.036 213.545 199.372 1.00 0.00 -0.343 N +ATOM 8685 CB PHE B 367 167.121 213.142 197.129 1.00 0.00 0.070 C +ATOM 8686 CG PHE B 367 165.636 213.327 197.353 1.00 0.00 -0.045 A +ATOM 8687 CD1 PHE B 367 165.002 212.797 198.466 1.00 0.00 0.004 A +ATOM 8688 CD2 PHE B 367 164.871 214.025 196.433 1.00 0.00 0.004 A +ATOM 8689 CE1 PHE B 367 163.648 212.967 198.658 1.00 0.00 0.000 A +ATOM 8690 CE2 PHE B 367 163.515 214.196 196.625 1.00 0.00 0.000 A +ATOM 8691 CZ PHE B 367 162.905 213.666 197.738 1.00 0.00 0.000 A +ATOM 8692 H PHE B 367 167.819 214.343 199.136 1.00 0.00 0.164 HD +ATOM 8693 C ASN B 368 172.389 211.636 198.892 1.00 0.00 0.242 C +ATOM 8694 O ASN B 368 173.579 211.334 198.808 1.00 0.00 -0.273 OA +ATOM 8695 CA ASN B 368 171.611 212.093 197.656 1.00 0.00 0.180 C +ATOM 8696 N ASN B 368 170.296 212.638 197.997 1.00 0.00 -0.342 N +ATOM 8697 CB ASN B 368 172.439 213.122 196.881 1.00 0.00 0.134 C +ATOM 8698 CG ASN B 368 171.930 213.344 195.470 1.00 0.00 0.220 C +ATOM 8699 OD1 ASN B 368 171.122 212.567 194.958 1.00 0.00 -0.275 OA +ATOM 8700 ND2 ASN B 368 172.414 214.400 194.829 1.00 0.00 -0.368 N +ATOM 8701 HD22 ASN B 368 172.157 214.570 194.026 1.00 0.00 0.159 HD +ATOM 8702 HD21 ASN B 368 172.984 214.914 195.216 1.00 0.00 0.159 HD +ATOM 8703 H ASN B 368 170.316 213.444 198.296 1.00 0.00 0.164 HD +ATOM 8704 C LYS B 369 171.841 209.808 201.730 1.00 0.00 0.242 C +ATOM 8705 O LYS B 369 170.785 209.355 201.298 1.00 0.00 -0.273 OA +ATOM 8706 CA LYS B 369 172.343 211.174 201.284 1.00 0.00 0.171 C +ATOM 8707 N LYS B 369 171.712 211.576 200.033 1.00 0.00 -0.344 N +ATOM 8708 CB LYS B 369 172.063 212.199 202.383 1.00 0.00 0.035 C +ATOM 8709 CG LYS B 369 172.313 213.638 201.982 1.00 0.00 0.008 C +ATOM 8710 CD LYS B 369 173.783 213.907 201.723 1.00 0.00 0.061 C +ATOM 8711 CE LYS B 369 174.005 215.359 201.343 1.00 0.00 0.258 C +ATOM 8712 NZ LYS B 369 175.431 215.667 201.063 1.00 0.00 -0.357 N +ATOM 8713 HZ1 LYS B 369 175.519 216.526 200.845 1.00 0.00 0.345 HD +ATOM 8714 HZ2 LYS B 369 175.925 215.500 201.784 1.00 0.00 0.345 HD +ATOM 8715 HZ3 LYS B 369 175.724 215.166 200.389 1.00 0.00 0.345 HD +ATOM 8716 H LYS B 369 170.877 211.766 200.109 1.00 0.00 0.164 HD +ATOM 8717 C GLN B 370 171.151 208.436 204.369 1.00 0.00 0.242 C +ATOM 8718 O GLN B 370 171.490 209.288 205.188 1.00 0.00 -0.273 OA +ATOM 8719 CA GLN B 370 172.123 207.976 203.298 1.00 0.00 0.171 C +ATOM 8720 N GLN B 370 172.611 209.152 202.590 1.00 0.00 -0.343 N +ATOM 8721 CB GLN B 370 173.267 207.189 203.934 1.00 0.00 0.045 C +ATOM 8722 CG GLN B 370 174.217 206.527 202.956 1.00 0.00 0.102 C +ATOM 8723 CD GLN B 370 175.315 205.760 203.668 1.00 0.00 0.217 C +ATOM 8724 OE1 GLN B 370 176.308 206.340 204.103 1.00 0.00 -0.275 OA +ATOM 8725 NE2 GLN B 370 175.132 204.451 203.807 1.00 0.00 -0.368 N +ATOM 8726 HE22 GLN B 370 174.418 204.082 203.500 1.00 0.00 0.159 HD +ATOM 8727 HE21 GLN B 370 175.727 203.974 204.204 1.00 0.00 0.159 HD +ATOM 8728 H GLN B 370 173.422 209.367 202.781 1.00 0.00 0.164 HD +ATOM 8729 C PHE B 371 167.799 207.267 205.395 1.00 0.00 0.243 C +ATOM 8730 O PHE B 371 167.302 206.821 204.365 1.00 0.00 -0.272 OA +ATOM 8731 CA PHE B 371 168.932 208.285 205.332 1.00 0.00 0.175 C +ATOM 8732 N PHE B 371 169.945 207.882 204.366 1.00 0.00 -0.343 N +ATOM 8733 CB PHE B 371 168.383 209.669 204.976 1.00 0.00 0.070 C +ATOM 8734 CG PHE B 371 167.542 210.281 206.054 1.00 0.00 -0.045 A +ATOM 8735 CD1 PHE B 371 168.128 211.000 207.079 1.00 0.00 0.004 A +ATOM 8736 CD2 PHE B 371 166.166 210.136 206.046 1.00 0.00 0.004 A +ATOM 8737 CE1 PHE B 371 167.359 211.558 208.075 1.00 0.00 0.000 A +ATOM 8738 CE2 PHE B 371 165.393 210.695 207.042 1.00 0.00 0.000 A +ATOM 8739 CZ PHE B 371 165.991 211.406 208.057 1.00 0.00 0.000 A +ATOM 8740 H PHE B 371 169.689 207.271 203.817 1.00 0.00 0.164 HD +ATOM 8741 C GLN B 372 164.980 206.621 207.007 1.00 0.00 0.242 C +ATOM 8742 O GLN B 372 164.784 207.354 207.973 1.00 0.00 -0.273 OA +ATOM 8743 CA GLN B 372 166.326 205.929 206.809 1.00 0.00 0.171 C +ATOM 8744 N GLN B 372 167.400 206.901 206.610 1.00 0.00 -0.343 N +ATOM 8745 CB GLN B 372 166.632 205.033 208.010 1.00 0.00 0.045 C +ATOM 8746 CG GLN B 372 167.918 204.245 207.879 1.00 0.00 0.102 C +ATOM 8747 CD GLN B 372 167.901 203.274 206.717 1.00 0.00 0.217 C +ATOM 8748 OE1 GLN B 372 166.998 202.448 206.591 1.00 0.00 -0.275 OA +ATOM 8749 NE2 GLN B 372 168.904 203.372 205.857 1.00 0.00 -0.368 N +ATOM 8750 HE22 GLN B 372 169.517 203.963 205.977 1.00 0.00 0.159 HD +ATOM 8751 HE21 GLN B 372 168.942 202.844 205.179 1.00 0.00 0.159 HD +ATOM 8752 H GLN B 372 167.737 207.203 207.341 1.00 0.00 0.164 HD +ATOM 8753 C TYR B 373 161.841 206.099 207.069 1.00 0.00 0.243 C +ATOM 8754 O TYR B 373 160.933 205.422 206.600 1.00 0.00 -0.272 OA +ATOM 8755 CA TYR B 373 162.725 206.967 206.187 1.00 0.00 0.175 C +ATOM 8756 N TYR B 373 164.056 206.384 206.086 1.00 0.00 -0.343 N +ATOM 8757 CB TYR B 373 162.113 207.149 204.799 1.00 0.00 0.070 C +ATOM 8758 CG TYR B 373 162.857 208.167 203.976 1.00 0.00 -0.045 A +ATOM 8759 CD1 TYR B 373 162.771 209.520 204.275 1.00 0.00 0.007 A +ATOM 8760 CD2 TYR B 373 163.657 207.779 202.914 1.00 0.00 0.007 A +ATOM 8761 CE1 TYR B 373 163.456 210.454 203.535 1.00 0.00 0.046 A +ATOM 8762 CE2 TYR B 373 164.345 208.708 202.165 1.00 0.00 0.046 A +ATOM 8763 CZ TYR B 373 164.243 210.045 202.480 1.00 0.00 0.115 A +ATOM 8764 OH TYR B 373 164.932 210.974 201.732 1.00 0.00 -0.507 OA +ATOM 8765 HH TYR B 373 164.783 211.746 202.026 1.00 0.00 0.294 HD +ATOM 8766 H TYR B 373 164.174 205.890 205.392 1.00 0.00 0.164 HD +ATOM 8767 C GLN B 374 161.711 206.038 210.714 1.00 0.00 0.242 C +ATOM 8768 O GLN B 374 162.703 206.751 210.832 1.00 0.00 -0.273 OA +ATOM 8769 CA GLN B 374 161.357 205.435 209.366 1.00 0.00 0.171 C +ATOM 8770 N GLN B 374 162.145 206.120 208.359 1.00 0.00 -0.343 N +ATOM 8771 CB GLN B 374 161.613 203.924 209.349 1.00 0.00 0.045 C +ATOM 8772 CG GLN B 374 163.070 203.523 209.493 1.00 0.00 0.102 C +ATOM 8773 CD GLN B 374 163.253 202.014 209.566 1.00 0.00 0.217 C +ATOM 8774 OE1 GLN B 374 162.815 201.370 210.519 1.00 0.00 -0.275 OA +ATOM 8775 NE2 GLN B 374 163.896 201.445 208.555 1.00 0.00 -0.368 N +ATOM 8776 HE22 GLN B 374 164.185 201.926 207.903 1.00 0.00 0.159 HD +ATOM 8777 HE21 GLN B 374 164.024 200.594 208.551 1.00 0.00 0.159 HD +ATOM 8778 H GLN B 374 162.823 206.538 208.682 1.00 0.00 0.164 HD +ATOM 8779 C ASN B 375 160.468 205.465 214.125 1.00 0.00 0.242 C +ATOM 8780 O ASN B 375 159.446 204.824 213.898 1.00 0.00 -0.273 OA +ATOM 8781 CA ASN B 375 161.120 206.314 213.048 1.00 0.00 0.180 C +ATOM 8782 N ASN B 375 160.895 205.764 211.722 1.00 0.00 -0.342 N +ATOM 8783 CB ASN B 375 160.587 207.746 213.129 1.00 0.00 0.134 C +ATOM 8784 CG ASN B 375 161.101 208.497 214.345 1.00 0.00 0.220 C +ATOM 8785 OD1 ASN B 375 162.298 208.504 214.625 1.00 0.00 -0.275 OA +ATOM 8786 ND2 ASN B 375 160.193 209.130 215.075 1.00 0.00 -0.368 N +ATOM 8787 HD22 ASN B 375 160.433 209.570 215.774 1.00 0.00 0.159 HD +ATOM 8788 HD21 ASN B 375 159.363 209.101 214.850 1.00 0.00 0.159 HD +ATOM 8789 H ASN B 375 160.200 205.261 211.663 1.00 0.00 0.164 HD +ATOM 8790 C ARG B 376 160.716 205.836 217.629 1.00 0.00 0.242 C +ATOM 8791 O ARG B 376 161.829 206.300 217.866 1.00 0.00 -0.273 OA +ATOM 8792 CA ARG B 376 160.517 204.853 216.485 1.00 0.00 0.171 C +ATOM 8793 N ARG B 376 161.090 205.457 215.297 1.00 0.00 -0.344 N +ATOM 8794 CB ARG B 376 161.174 203.508 216.792 1.00 0.00 0.038 C +ATOM 8795 CG ARG B 376 160.419 202.651 217.799 1.00 0.00 0.040 C +ATOM 8796 CD ARG B 376 159.198 201.984 217.187 1.00 0.00 0.197 C +ATOM 8797 NE ARG B 376 159.554 201.077 216.101 1.00 0.00 -0.278 N +ATOM 8798 HE ARG B 376 159.465 201.364 215.295 1.00 0.00 0.260 HD +ATOM 8799 CZ ARG B 376 160.007 199.837 216.266 1.00 0.00 0.339 C +ATOM 8800 NH1 ARG B 376 160.174 199.332 217.480 1.00 0.00 -0.290 N +ATOM 8801 NH2 ARG B 376 160.300 199.097 215.207 1.00 0.00 -0.290 N +ATOM 8802 HH12 ARG B 376 159.986 199.806 218.173 1.00 0.00 0.256 HD +ATOM 8803 HH11 ARG B 376 160.468 198.530 217.575 1.00 0.00 0.256 HD +ATOM 8804 HH22 ARG B 376 160.195 199.418 214.416 1.00 0.00 0.256 HD +ATOM 8805 HH21 ARG B 376 160.594 198.296 215.310 1.00 0.00 0.256 HD +ATOM 8806 H ARG B 376 161.865 205.805 215.429 1.00 0.00 0.164 HD +ATOM 8807 C ILE B 377 160.452 206.682 220.572 1.00 0.00 0.243 C +ATOM 8808 O ILE B 377 160.147 205.631 221.132 1.00 0.00 -0.272 OA +ATOM 8809 CA ILE B 377 159.672 207.182 219.363 1.00 0.00 0.174 C +ATOM 8810 N ILE B 377 159.631 206.172 218.315 1.00 0.00 -0.343 N +ATOM 8811 CB ILE B 377 158.250 207.592 219.797 1.00 0.00 0.018 C +ATOM 8812 CG2 ILE B 377 158.293 208.602 220.943 1.00 0.00 0.010 C +ATOM 8813 CG1 ILE B 377 157.478 208.160 218.601 1.00 0.00 0.002 C +ATOM 8814 CD1 ILE B 377 158.089 209.414 217.980 1.00 0.00 0.004 C +ATOM 8815 H ILE B 377 158.853 205.827 218.191 1.00 0.00 0.164 HD +ATOM 8816 C ALA B 378 161.643 207.594 223.400 1.00 0.00 0.243 C +ATOM 8817 O ALA B 378 161.101 208.697 223.463 1.00 0.00 -0.272 OA +ATOM 8818 CA ALA B 378 162.292 207.120 222.109 1.00 0.00 0.168 C +ATOM 8819 N ALA B 378 161.460 207.453 220.961 1.00 0.00 -0.344 N +ATOM 8820 CB ALA B 378 163.671 207.735 221.958 1.00 0.00 0.041 C +ATOM 8821 H ALA B 378 161.686 208.185 220.570 1.00 0.00 0.164 HD +ATOM 8822 C ALA B 379 161.846 208.318 226.310 1.00 0.00 0.243 C +ATOM 8823 O ALA B 379 161.226 209.120 227.007 1.00 0.00 -0.272 OA +ATOM 8824 CA ALA B 379 161.152 207.093 225.730 1.00 0.00 0.168 C +ATOM 8825 N ALA B 379 161.704 206.755 224.427 1.00 0.00 -0.344 N +ATOM 8826 CB ALA B 379 161.281 205.914 226.677 1.00 0.00 0.041 C +ATOM 8827 H ALA B 379 162.064 205.974 224.393 1.00 0.00 0.164 HD +ATOM 8828 C GLU B 380 163.470 210.892 225.851 1.00 0.00 0.242 C +ATOM 8829 O GLU B 380 163.556 211.964 226.451 1.00 0.00 -0.273 OA +ATOM 8830 CA GLU B 380 163.902 209.592 226.521 1.00 0.00 0.171 C +ATOM 8831 N GLU B 380 163.133 208.461 226.021 1.00 0.00 -0.344 N +ATOM 8832 CB GLU B 380 165.397 209.360 226.311 1.00 0.00 0.041 C +ATOM 8833 CG GLU B 380 165.936 208.158 227.072 1.00 0.00 0.055 C +ATOM 8834 CD GLU B 380 166.159 206.938 226.190 1.00 0.00 0.041 C +ATOM 8835 OE1 GLU B 380 165.482 206.808 225.150 1.00 0.00 -0.548 OA +ATOM 8836 OE2 GLU B 380 167.019 206.105 226.544 1.00 0.00 -0.549 OA +ATOM 8837 H GLU B 380 163.587 207.916 225.535 1.00 0.00 0.164 HD +ATOM 8838 C PHE B 381 161.222 212.427 224.615 1.00 0.00 0.243 C +ATOM 8839 O PHE B 381 160.988 213.623 224.762 1.00 0.00 -0.272 OA +ATOM 8840 CA PHE B 381 162.482 211.953 223.901 1.00 0.00 0.175 C +ATOM 8841 N PHE B 381 163.016 210.795 224.605 1.00 0.00 -0.343 N +ATOM 8842 CB PHE B 381 162.178 211.606 222.442 1.00 0.00 0.070 C +ATOM 8843 CG PHE B 381 161.873 212.797 221.571 1.00 0.00 -0.045 A +ATOM 8844 CD1 PHE B 381 162.486 214.019 221.788 1.00 0.00 0.004 A +ATOM 8845 CD2 PHE B 381 160.976 212.686 220.523 1.00 0.00 0.004 A +ATOM 8846 CE1 PHE B 381 162.207 215.102 220.981 1.00 0.00 0.000 A +ATOM 8847 CE2 PHE B 381 160.697 213.767 219.713 1.00 0.00 0.000 A +ATOM 8848 CZ PHE B 381 161.312 214.976 219.944 1.00 0.00 0.000 A +ATOM 8849 H PHE B 381 163.007 210.068 224.146 1.00 0.00 0.164 HD +ATOM 8850 C ASN B 382 159.587 212.443 227.138 1.00 0.00 0.242 C +ATOM 8851 O ASN B 382 159.006 213.461 227.500 1.00 0.00 -0.273 OA +ATOM 8852 CA ASN B 382 159.213 211.763 225.827 1.00 0.00 0.180 C +ATOM 8853 N ASN B 382 160.412 211.471 225.053 1.00 0.00 -0.342 N +ATOM 8854 CB ASN B 382 158.420 210.471 226.075 1.00 0.00 0.134 C +ATOM 8855 CG ASN B 382 157.133 210.694 226.857 1.00 0.00 0.220 C +ATOM 8856 OD1 ASN B 382 157.119 211.353 227.892 1.00 0.00 -0.275 OA +ATOM 8857 ND2 ASN B 382 156.045 210.126 226.363 1.00 0.00 -0.368 N +ATOM 8858 HD22 ASN B 382 155.290 210.220 226.765 1.00 0.00 0.159 HD +ATOM 8859 HD21 ASN B 382 156.092 209.662 225.641 1.00 0.00 0.159 HD +ATOM 8860 H ASN B 382 160.537 210.632 224.913 1.00 0.00 0.164 HD +ATOM 8861 C THR B 383 161.502 213.838 229.071 1.00 0.00 0.245 C +ATOM 8862 O THR B 383 161.129 214.665 229.902 1.00 0.00 -0.273 OA +ATOM 8863 CA THR B 383 160.995 212.398 229.132 1.00 0.00 0.199 C +ATOM 8864 N THR B 383 160.574 211.887 227.830 1.00 0.00 -0.341 N +ATOM 8865 CB THR B 383 162.098 211.508 229.739 1.00 0.00 0.143 C +ATOM 8866 CG2 THR B 383 162.630 212.088 231.056 1.00 0.00 0.041 C +ATOM 8867 OG1 THR B 383 161.567 210.201 229.985 1.00 0.00 -0.389 OA +ATOM 8868 HG1 THR B 383 160.922 210.249 230.521 1.00 0.00 0.211 HD +ATOM 8869 H THR B 383 161.022 211.203 227.565 1.00 0.00 0.164 HD +ATOM 8870 C LEU B 384 161.920 216.512 227.557 1.00 0.00 0.243 C +ATOM 8871 O LEU B 384 162.145 217.709 227.719 1.00 0.00 -0.272 OA +ATOM 8872 CA LEU B 384 162.947 215.468 227.998 1.00 0.00 0.172 C +ATOM 8873 N LEU B 384 162.355 214.138 228.097 1.00 0.00 -0.345 N +ATOM 8874 CB LEU B 384 164.140 215.459 227.031 1.00 0.00 0.038 C +ATOM 8875 CG LEU B 384 163.862 215.249 225.539 1.00 0.00 -0.015 C +ATOM 8876 CD1 LEU B 384 163.653 216.575 224.818 1.00 0.00 0.007 C +ATOM 8877 CD2 LEU B 384 165.009 214.483 224.893 1.00 0.00 0.007 C +ATOM 8878 H LEU B 384 162.606 213.592 227.482 1.00 0.00 0.165 HD +ATOM 8879 C TYR B 385 158.735 217.377 227.531 1.00 0.00 0.243 C +ATOM 8880 O TYR B 385 157.748 218.031 227.202 1.00 0.00 -0.272 OA +ATOM 8881 CA TYR B 385 159.787 216.989 226.490 1.00 0.00 0.175 C +ATOM 8882 N TYR B 385 160.794 216.064 227.008 1.00 0.00 -0.343 N +ATOM 8883 CB TYR B 385 159.094 216.398 225.262 1.00 0.00 0.070 C +ATOM 8884 CG TYR B 385 159.140 217.321 224.068 1.00 0.00 -0.045 A +ATOM 8885 CD1 TYR B 385 159.753 216.934 222.885 1.00 0.00 0.007 A +ATOM 8886 CD2 TYR B 385 158.592 218.593 224.136 1.00 0.00 0.007 A +ATOM 8887 CE1 TYR B 385 159.803 217.787 221.798 1.00 0.00 0.046 A +ATOM 8888 CE2 TYR B 385 158.638 219.447 223.060 1.00 0.00 0.046 A +ATOM 8889 CZ TYR B 385 159.244 219.042 221.894 1.00 0.00 0.115 A +ATOM 8890 OH TYR B 385 159.288 219.901 220.823 1.00 0.00 -0.507 OA +ATOM 8891 HH TYR B 385 159.682 219.536 220.178 1.00 0.00 0.294 HD +ATOM 8892 H TYR B 385 160.589 215.233 226.923 1.00 0.00 0.164 HD +ATOM 8893 C HIS B 386 158.390 218.875 230.206 1.00 0.00 0.242 C +ATOM 8894 O HIS B 386 159.014 219.154 231.227 1.00 0.00 -0.272 OA +ATOM 8895 CA HIS B 386 158.063 217.427 229.853 1.00 0.00 0.177 C +ATOM 8896 N HIS B 386 158.945 216.987 228.781 1.00 0.00 -0.343 N +ATOM 8897 CB HIS B 386 158.195 216.517 231.073 1.00 0.00 0.093 C +ATOM 8898 CG HIS B 386 157.536 215.183 230.899 1.00 0.00 0.061 A +ATOM 8899 ND1 HIS B 386 156.334 214.863 231.491 1.00 0.00 -0.242 NA +ATOM 8900 CD2 HIS B 386 157.904 214.095 230.183 1.00 0.00 0.107 A +ATOM 8901 CE1 HIS B 386 155.994 213.631 231.155 1.00 0.00 0.196 A +ATOM 8902 NE2 HIS B 386 156.930 213.144 230.361 1.00 0.00 -0.350 N +ATOM 8903 HE2 HIS B 386 156.930 212.357 230.013 1.00 0.00 0.167 HD +ATOM 8904 H HIS B 386 159.586 216.472 229.034 1.00 0.00 0.164 HD +ATOM 8905 C TRP B 387 157.179 221.946 230.220 1.00 0.00 0.242 C +ATOM 8906 O TRP B 387 156.635 222.931 229.726 1.00 0.00 -0.272 OA +ATOM 8907 CA TRP B 387 158.273 221.208 229.469 1.00 0.00 0.175 C +ATOM 8908 N TRP B 387 157.967 219.788 229.334 1.00 0.00 -0.343 N +ATOM 8909 CB TRP B 387 158.454 221.852 228.096 1.00 0.00 0.072 C +ATOM 8910 CG TRP B 387 159.585 221.311 227.297 1.00 0.00 -0.020 A +ATOM 8911 CD1 TRP B 387 160.542 220.433 227.711 1.00 0.00 0.087 A +ATOM 8912 CD2 TRP B 387 159.882 221.620 225.935 1.00 0.00 0.003 A +ATOM 8913 NE1 TRP B 387 161.418 220.173 226.687 1.00 0.00 -0.359 N +ATOM 8914 CE2 TRP B 387 161.034 220.890 225.584 1.00 0.00 0.046 A +ATOM 8915 CE3 TRP B 387 159.285 222.442 224.976 1.00 0.00 0.010 A +ATOM 8916 HE1 TRP B 387 162.096 219.646 226.730 1.00 0.00 0.166 HD +ATOM 8917 CZ2 TRP B 387 161.599 220.956 224.314 1.00 0.00 0.026 A +ATOM 8918 CZ3 TRP B 387 159.847 222.508 223.719 1.00 0.00 0.001 A +ATOM 8919 CH2 TRP B 387 160.994 221.770 223.398 1.00 0.00 0.002 A +ATOM 8920 H TRP B 387 157.492 219.604 228.641 1.00 0.00 0.164 HD +ATOM 8921 C HIS B 388 156.230 223.432 232.836 1.00 0.00 0.242 C +ATOM 8922 O HIS B 388 155.372 224.215 233.235 1.00 0.00 -0.272 OA +ATOM 8923 CA HIS B 388 155.806 222.098 232.204 1.00 0.00 0.177 C +ATOM 8924 N HIS B 388 156.854 221.474 231.414 1.00 0.00 -0.343 N +ATOM 8925 CB HIS B 388 155.327 221.118 233.272 1.00 0.00 0.090 C +ATOM 8926 CG HIS B 388 154.627 219.923 232.702 1.00 0.00 0.037 A +ATOM 8927 ND1 HIS B 388 155.191 218.666 232.682 1.00 0.00 -0.347 N +ATOM 8928 CD2 HIS B 388 153.421 219.803 232.098 1.00 0.00 0.134 A +ATOM 8929 HD1 HIS B 388 155.964 218.463 233.000 1.00 0.00 0.167 HD +ATOM 8930 CE1 HIS B 388 154.356 217.821 232.104 1.00 0.00 0.196 A +ATOM 8931 NE2 HIS B 388 153.273 218.485 231.741 1.00 0.00 -0.245 NA +ATOM 8932 H HIS B 388 157.224 220.794 231.789 1.00 0.00 0.164 HD +ATOM 8933 C PRO B 389 157.447 226.145 232.367 1.00 0.00 0.243 C +ATOM 8934 O PRO B 389 157.447 227.320 232.728 1.00 0.00 -0.271 OA +ATOM 8935 CA PRO B 389 157.887 225.064 233.359 1.00 0.00 0.175 C +ATOM 8936 N PRO B 389 157.545 223.706 232.926 1.00 0.00 -0.329 N +ATOM 8937 CB PRO B 389 159.413 225.023 233.471 1.00 0.00 0.037 C +ATOM 8938 CG PRO B 389 159.742 223.597 233.695 1.00 0.00 0.024 C +ATOM 8939 CD PRO B 389 158.726 222.822 232.926 1.00 0.00 0.121 C +ATOM 8940 C LEU B 390 155.248 227.314 230.691 1.00 0.00 0.243 C +ATOM 8941 O LEU B 390 154.915 228.454 230.362 1.00 0.00 -0.272 OA +ATOM 8942 CA LEU B 390 156.537 226.695 230.171 1.00 0.00 0.172 C +ATOM 8943 N LEU B 390 157.096 225.759 231.145 1.00 0.00 -0.345 N +ATOM 8944 CB LEU B 390 156.241 225.999 228.840 1.00 0.00 0.038 C +ATOM 8945 CG LEU B 390 157.371 225.700 227.856 1.00 0.00 -0.015 C +ATOM 8946 CD1 LEU B 390 156.807 224.906 226.694 1.00 0.00 0.007 C +ATOM 8947 CD2 LEU B 390 158.022 226.973 227.359 1.00 0.00 0.007 C +ATOM 8948 H LEU B 390 157.173 224.954 230.851 1.00 0.00 0.165 HD +ATOM 8949 C LEU B 391 153.191 228.125 232.857 1.00 0.00 0.243 C +ATOM 8950 O LEU B 391 154.053 228.219 233.732 1.00 0.00 -0.272 OA +ATOM 8951 CA LEU B 391 153.181 226.924 231.905 1.00 0.00 0.172 C +ATOM 8952 N LEU B 391 154.521 226.543 231.489 1.00 0.00 -0.345 N +ATOM 8953 CB LEU B 391 152.492 225.738 232.571 1.00 0.00 0.038 C +ATOM 8954 CG LEU B 391 152.252 224.511 231.694 1.00 0.00 -0.015 C +ATOM 8955 CD1 LEU B 391 151.794 223.336 232.544 1.00 0.00 0.007 C +ATOM 8956 CD2 LEU B 391 151.228 224.819 230.616 1.00 0.00 0.007 C +ATOM 8957 H LEU B 391 154.783 225.787 231.805 1.00 0.00 0.165 HD +ATOM 8958 C PRO B 392 151.386 229.957 234.857 1.00 0.00 0.243 C +ATOM 8959 O PRO B 392 150.887 228.852 235.058 1.00 0.00 -0.271 OA +ATOM 8960 CA PRO B 392 152.131 230.233 233.555 1.00 0.00 0.175 C +ATOM 8961 N PRO B 392 152.226 229.049 232.693 1.00 0.00 -0.329 N +ATOM 8962 CB PRO B 392 151.357 231.220 232.687 1.00 0.00 0.037 C +ATOM 8963 CG PRO B 392 150.446 230.351 231.890 1.00 0.00 0.024 C +ATOM 8964 CD PRO B 392 151.193 229.066 231.640 1.00 0.00 0.121 C +ATOM 8965 C ASP B 393 149.078 231.015 236.741 1.00 0.00 0.242 C +ATOM 8966 O ASP B 393 148.250 230.419 237.428 1.00 0.00 -0.273 OA +ATOM 8967 CA ASP B 393 150.573 230.820 236.980 1.00 0.00 0.176 C +ATOM 8968 N ASP B 393 151.312 230.955 235.730 1.00 0.00 -0.343 N +ATOM 8969 CB ASP B 393 151.087 231.819 238.017 1.00 0.00 0.087 C +ATOM 8970 CG ASP B 393 152.478 231.475 238.518 1.00 0.00 0.044 C +ATOM 8971 OD1 ASP B 393 152.791 230.271 238.644 1.00 0.00 -0.548 OA +ATOM 8972 OD2 ASP B 393 153.258 232.412 238.787 1.00 0.00 -0.549 OA +ATOM 8973 H ASP B 393 151.681 231.724 235.621 1.00 0.00 0.164 HD +ATOM 8974 C THR B 394 147.321 232.255 233.824 1.00 0.00 0.245 C +ATOM 8975 O THR B 394 148.308 232.688 233.230 1.00 0.00 -0.273 OA +ATOM 8976 CA THR B 394 147.361 232.023 235.330 1.00 0.00 0.199 C +ATOM 8977 N THR B 394 148.742 231.852 235.764 1.00 0.00 -0.341 N +ATOM 8978 CB THR B 394 146.663 233.204 236.041 1.00 0.00 0.143 C +ATOM 8979 CG2 THR B 394 146.639 232.992 237.547 1.00 0.00 0.041 C +ATOM 8980 OG1 THR B 394 147.348 234.426 235.740 1.00 0.00 -0.389 OA +ATOM 8981 HG1 THR B 394 146.970 235.069 236.126 1.00 0.00 0.211 HD +ATOM 8982 H THR B 394 149.305 232.339 235.333 1.00 0.00 0.164 HD +ATOM 8983 C PHE B 395 145.164 233.393 231.505 1.00 0.00 0.243 C +ATOM 8984 O PHE B 395 144.079 233.564 232.055 1.00 0.00 -0.272 OA +ATOM 8985 CA PHE B 395 145.990 232.142 231.779 1.00 0.00 0.175 C +ATOM 8986 N PHE B 395 146.176 231.961 233.215 1.00 0.00 -0.343 N +ATOM 8987 CB PHE B 395 145.315 230.914 231.170 1.00 0.00 0.070 C +ATOM 8988 CG PHE B 395 146.038 229.628 231.449 1.00 0.00 -0.045 A +ATOM 8989 CD1 PHE B 395 146.967 229.130 230.550 1.00 0.00 0.004 A +ATOM 8990 CD2 PHE B 395 145.798 228.922 232.615 1.00 0.00 0.004 A +ATOM 8991 CE1 PHE B 395 147.635 227.949 230.808 1.00 0.00 0.000 A +ATOM 8992 CE2 PHE B 395 146.465 227.742 232.876 1.00 0.00 0.000 A +ATOM 8993 CZ PHE B 395 147.384 227.256 231.972 1.00 0.00 0.000 A +ATOM 8994 H PHE B 395 145.483 231.650 233.618 1.00 0.00 0.164 HD +ATOM 8995 C GLN B 396 144.401 235.479 228.950 1.00 0.00 0.242 C +ATOM 8996 O GLN B 396 145.095 235.455 227.937 1.00 0.00 -0.273 OA +ATOM 8997 CA GLN B 396 145.050 235.530 230.327 1.00 0.00 0.171 C +ATOM 8998 N GLN B 396 145.693 234.262 230.651 1.00 0.00 -0.343 N +ATOM 8999 CB GLN B 396 146.073 236.668 230.379 1.00 0.00 0.045 C +ATOM 9000 CG GLN B 396 146.686 236.885 231.758 1.00 0.00 0.102 C +ATOM 9001 CD GLN B 396 148.115 237.393 231.698 1.00 0.00 0.217 C +ATOM 9002 OE1 GLN B 396 148.564 237.909 230.674 1.00 0.00 -0.275 OA +ATOM 9003 NE2 GLN B 396 148.839 237.244 232.801 1.00 0.00 -0.368 N +ATOM 9004 HE22 GLN B 396 148.493 236.876 233.497 1.00 0.00 0.159 HD +ATOM 9005 HE21 GLN B 396 149.655 237.515 232.820 1.00 0.00 0.159 HD +ATOM 9006 H GLN B 396 146.438 234.138 230.239 1.00 0.00 0.164 HD +ATOM 9007 C ILE B 397 141.581 236.872 227.633 1.00 0.00 0.243 C +ATOM 9008 O ILE B 397 140.782 237.172 228.517 1.00 0.00 -0.272 OA +ATOM 9009 CA ILE B 397 142.321 235.541 227.669 1.00 0.00 0.174 C +ATOM 9010 N ILE B 397 143.071 235.448 228.920 1.00 0.00 -0.343 N +ATOM 9011 CB ILE B 397 141.306 234.396 227.496 1.00 0.00 0.018 C +ATOM 9012 CG2 ILE B 397 140.745 234.403 226.076 1.00 0.00 0.010 C +ATOM 9013 CG1 ILE B 397 141.940 233.039 227.820 1.00 0.00 0.002 C +ATOM 9014 CD1 ILE B 397 143.041 232.623 226.882 1.00 0.00 0.004 C +ATOM 9015 H ILE B 397 142.574 235.373 229.618 1.00 0.00 0.164 HD +ATOM 9016 C HIS B 398 141.664 239.845 227.698 1.00 0.00 0.242 C +ATOM 9017 O HIS B 398 142.773 240.369 227.784 1.00 0.00 -0.272 OA +ATOM 9018 CA HIS B 398 141.304 239.000 226.471 1.00 0.00 0.177 C +ATOM 9019 N HIS B 398 141.856 237.659 226.599 1.00 0.00 -0.343 N +ATOM 9020 CB HIS B 398 139.787 238.949 226.261 1.00 0.00 0.093 C +ATOM 9021 CG HIS B 398 139.190 240.263 225.860 1.00 0.00 0.061 A +ATOM 9022 ND1 HIS B 398 139.940 241.413 225.737 1.00 0.00 -0.242 NA +ATOM 9023 CD2 HIS B 398 137.919 240.608 225.545 1.00 0.00 0.107 A +ATOM 9024 CE1 HIS B 398 139.157 242.410 225.368 1.00 0.00 0.196 A +ATOM 9025 NE2 HIS B 398 137.926 241.949 225.244 1.00 0.00 -0.350 N +ATOM 9026 HE2 HIS B 398 137.239 242.412 225.013 1.00 0.00 0.167 HD +ATOM 9027 H HIS B 398 142.370 237.433 225.947 1.00 0.00 0.164 HD +ATOM 9028 C ASP B 399 140.578 240.030 231.106 1.00 0.00 0.242 C +ATOM 9029 O ASP B 399 140.419 240.631 232.170 1.00 0.00 -0.273 OA +ATOM 9030 CA ASP B 399 140.944 240.791 229.834 1.00 0.00 0.176 C +ATOM 9031 N ASP B 399 140.737 239.969 228.644 1.00 0.00 -0.343 N +ATOM 9032 CB ASP B 399 140.121 242.077 229.736 1.00 0.00 0.087 C +ATOM 9033 CG ASP B 399 138.649 241.809 229.492 1.00 0.00 0.044 C +ATOM 9034 OD1 ASP B 399 138.324 240.730 228.954 1.00 0.00 -0.548 OA +ATOM 9035 OD2 ASP B 399 137.822 242.679 229.834 1.00 0.00 -0.549 OA +ATOM 9036 H ASP B 399 139.970 239.582 228.620 1.00 0.00 0.164 HD +ATOM 9037 C GLN B 400 141.260 236.918 232.467 1.00 0.00 0.242 C +ATOM 9038 O GLN B 400 141.987 236.469 231.581 1.00 0.00 -0.273 OA +ATOM 9039 CA GLN B 400 140.109 237.860 232.129 1.00 0.00 0.171 C +ATOM 9040 N GLN B 400 140.449 238.710 230.992 1.00 0.00 -0.343 N +ATOM 9041 CB GLN B 400 138.843 237.051 231.839 1.00 0.00 0.045 C +ATOM 9042 CG GLN B 400 137.643 237.898 231.436 1.00 0.00 0.102 C +ATOM 9043 CD GLN B 400 136.356 237.096 231.369 1.00 0.00 0.217 C +ATOM 9044 OE1 GLN B 400 136.057 236.305 232.263 1.00 0.00 -0.275 OA +ATOM 9045 NE2 GLN B 400 135.590 237.293 230.303 1.00 0.00 -0.368 N +ATOM 9046 HE22 GLN B 400 135.833 237.852 229.696 1.00 0.00 0.159 HD +ATOM 9047 HE21 GLN B 400 134.851 236.862 230.219 1.00 0.00 0.159 HD +ATOM 9048 H GLN B 400 140.554 238.278 230.256 1.00 0.00 0.164 HD +ATOM 9049 C LYS B 401 141.806 234.423 234.758 1.00 0.00 0.242 C +ATOM 9050 O LYS B 401 140.772 234.469 235.423 1.00 0.00 -0.273 OA +ATOM 9051 CA LYS B 401 142.443 235.700 234.226 1.00 0.00 0.171 C +ATOM 9052 N LYS B 401 141.419 236.628 233.755 1.00 0.00 -0.344 N +ATOM 9053 CB LYS B 401 143.305 236.347 235.313 1.00 0.00 0.035 C +ATOM 9054 CG LYS B 401 144.216 237.459 234.808 1.00 0.00 0.008 C +ATOM 9055 CD LYS B 401 145.236 237.858 235.865 1.00 0.00 0.061 C +ATOM 9056 CE LYS B 401 146.169 238.949 235.363 1.00 0.00 0.258 C +ATOM 9057 NZ LYS B 401 145.464 240.245 235.168 1.00 0.00 -0.357 N +ATOM 9058 HZ1 LYS B 401 146.036 240.861 234.875 1.00 0.00 0.345 HD +ATOM 9059 HZ2 LYS B 401 144.811 240.149 234.570 1.00 0.00 0.345 HD +ATOM 9060 HZ3 LYS B 401 145.113 240.520 235.938 1.00 0.00 0.345 HD +ATOM 9061 H LYS B 401 140.938 236.961 234.386 1.00 0.00 0.164 HD +ATOM 9062 C TYR B 402 143.027 231.205 235.621 1.00 0.00 0.243 C +ATOM 9063 O TYR B 402 144.126 231.042 235.095 1.00 0.00 -0.272 OA +ATOM 9064 CA TYR B 402 141.938 231.988 234.899 1.00 0.00 0.175 C +ATOM 9065 N TYR B 402 142.428 233.289 234.454 1.00 0.00 -0.343 N +ATOM 9066 CB TYR B 402 141.430 231.171 233.710 1.00 0.00 0.070 C +ATOM 9067 CG TYR B 402 140.362 231.858 232.897 1.00 0.00 -0.045 A +ATOM 9068 CD1 TYR B 402 139.027 231.795 233.274 1.00 0.00 0.007 A +ATOM 9069 CD2 TYR B 402 140.685 232.563 231.747 1.00 0.00 0.007 A +ATOM 9070 CE1 TYR B 402 138.047 232.419 232.533 1.00 0.00 0.046 A +ATOM 9071 CE2 TYR B 402 139.712 233.190 230.999 1.00 0.00 0.046 A +ATOM 9072 CZ TYR B 402 138.397 233.113 231.398 1.00 0.00 0.115 A +ATOM 9073 OH TYR B 402 137.424 233.735 230.658 1.00 0.00 -0.507 OA +ATOM 9074 HH TYR B 402 137.769 234.120 229.996 1.00 0.00 0.294 HD +ATOM 9075 H TYR B 402 143.147 233.245 233.984 1.00 0.00 0.164 HD +ATOM 9076 C ASN B 403 143.455 228.413 236.865 1.00 0.00 0.242 C +ATOM 9077 O ASN B 403 142.648 228.241 235.953 1.00 0.00 -0.273 OA +ATOM 9078 CA ASN B 403 143.628 229.792 237.492 1.00 0.00 0.180 C +ATOM 9079 N ASN B 403 142.725 230.720 236.822 1.00 0.00 -0.342 N +ATOM 9080 CB ASN B 403 143.388 229.759 239.013 1.00 0.00 0.134 C +ATOM 9081 CG ASN B 403 141.988 229.288 239.400 1.00 0.00 0.220 C +ATOM 9082 OD1 ASN B 403 141.365 228.482 238.714 1.00 0.00 -0.275 OA +ATOM 9083 ND2 ASN B 403 141.500 229.785 240.529 1.00 0.00 -0.368 N +ATOM 9084 HD22 ASN B 403 140.716 229.555 240.797 1.00 0.00 0.159 HD +ATOM 9085 HD21 ASN B 403 141.969 230.336 240.994 1.00 0.00 0.159 HD +ATOM 9086 H ASN B 403 142.013 230.910 237.265 1.00 0.00 0.164 HD +ATOM 9087 C TYR B 404 142.829 225.410 237.039 1.00 0.00 0.243 C +ATOM 9088 O TYR B 404 142.313 224.685 236.191 1.00 0.00 -0.272 OA +ATOM 9089 CA TYR B 404 144.159 226.099 236.762 1.00 0.00 0.175 C +ATOM 9090 N TYR B 404 144.211 227.433 237.343 1.00 0.00 -0.343 N +ATOM 9091 CB TYR B 404 145.312 225.249 237.289 1.00 0.00 0.070 C +ATOM 9092 CG TYR B 404 146.622 225.560 236.609 1.00 0.00 -0.045 A +ATOM 9093 CD1 TYR B 404 147.368 226.670 236.977 1.00 0.00 0.007 A +ATOM 9094 CD2 TYR B 404 147.103 224.754 235.589 1.00 0.00 0.007 A +ATOM 9095 CE1 TYR B 404 148.559 226.963 236.353 1.00 0.00 0.046 A +ATOM 9096 CE2 TYR B 404 148.293 225.039 234.960 1.00 0.00 0.046 A +ATOM 9097 CZ TYR B 404 149.016 226.145 235.346 1.00 0.00 0.115 A +ATOM 9098 OH TYR B 404 150.203 226.435 234.725 1.00 0.00 -0.507 OA +ATOM 9099 HH TYR B 404 150.539 227.131 235.056 1.00 0.00 0.294 HD +ATOM 9100 H TYR B 404 144.760 227.514 238.000 1.00 0.00 0.164 HD +ATOM 9101 C GLN B 405 139.895 225.277 237.671 1.00 0.00 0.242 C +ATOM 9102 O GLN B 405 139.050 224.413 237.442 1.00 0.00 -0.273 OA +ATOM 9103 CA GLN B 405 141.042 225.003 238.643 1.00 0.00 0.171 C +ATOM 9104 N GLN B 405 142.278 225.652 238.224 1.00 0.00 -0.343 N +ATOM 9105 CB GLN B 405 140.651 225.471 240.045 1.00 0.00 0.045 C +ATOM 9106 CG GLN B 405 139.691 224.539 240.760 1.00 0.00 0.102 C +ATOM 9107 CD GLN B 405 140.361 223.259 241.217 1.00 0.00 0.217 C +ATOM 9108 OE1 GLN B 405 140.258 222.221 240.562 1.00 0.00 -0.275 OA +ATOM 9109 NE2 GLN B 405 141.053 223.327 242.348 1.00 0.00 -0.368 N +ATOM 9110 HE22 GLN B 405 141.102 224.070 242.779 1.00 0.00 0.159 HD +ATOM 9111 HE21 GLN B 405 141.452 222.628 242.651 1.00 0.00 0.159 HD +ATOM 9112 H GLN B 405 142.604 226.193 238.808 1.00 0.00 0.164 HD +ATOM 9113 C GLN B 406 139.110 226.931 234.776 1.00 0.00 0.242 C +ATOM 9114 O GLN B 406 138.225 227.074 233.933 1.00 0.00 -0.273 OA +ATOM 9115 CA GLN B 406 138.766 226.917 236.262 1.00 0.00 0.171 C +ATOM 9116 N GLN B 406 139.875 226.479 237.105 1.00 0.00 -0.343 N +ATOM 9117 CB GLN B 406 138.303 228.310 236.704 1.00 0.00 0.045 C +ATOM 9118 CG GLN B 406 139.361 229.410 236.572 1.00 0.00 0.102 C +ATOM 9119 CD GLN B 406 139.179 230.589 237.541 1.00 0.00 0.217 C +ATOM 9120 OE1 GLN B 406 139.818 231.620 237.372 1.00 0.00 -0.275 OA +ATOM 9121 NE2 GLN B 406 138.324 230.446 238.551 1.00 0.00 -0.368 N +ATOM 9122 HE22 GLN B 406 137.892 229.709 238.647 1.00 0.00 0.159 HD +ATOM 9123 HE21 GLN B 406 138.204 231.091 239.108 1.00 0.00 0.159 HD +ATOM 9124 H GLN B 406 140.497 227.065 237.194 1.00 0.00 0.164 HD +ATOM 9125 C PHE B 407 140.797 225.324 232.504 1.00 0.00 0.243 C +ATOM 9126 O PHE B 407 140.437 225.114 231.348 1.00 0.00 -0.272 OA +ATOM 9127 CA PHE B 407 140.837 226.744 233.064 1.00 0.00 0.175 C +ATOM 9128 N PHE B 407 140.391 226.773 234.455 1.00 0.00 -0.343 N +ATOM 9129 CB PHE B 407 142.252 227.318 232.942 1.00 0.00 0.070 C +ATOM 9130 CG PHE B 407 142.708 227.521 231.524 1.00 0.00 -0.045 A +ATOM 9131 CD1 PHE B 407 142.143 228.511 230.737 1.00 0.00 0.004 A +ATOM 9132 CD2 PHE B 407 143.713 226.734 230.984 1.00 0.00 0.004 A +ATOM 9133 CE1 PHE B 407 142.564 228.705 229.435 1.00 0.00 0.000 A +ATOM 9134 CE2 PHE B 407 144.141 226.927 229.682 1.00 0.00 0.000 A +ATOM 9135 CZ PHE B 407 143.565 227.911 228.908 1.00 0.00 0.000 A +ATOM 9136 H PHE B 407 141.026 226.679 235.027 1.00 0.00 0.164 HD +ATOM 9137 C ILE B 408 139.826 222.381 232.634 1.00 0.00 0.243 C +ATOM 9138 O ILE B 408 138.888 222.581 233.404 1.00 0.00 -0.272 OA +ATOM 9139 CA ILE B 408 141.216 222.955 232.917 1.00 0.00 0.174 C +ATOM 9140 N ILE B 408 141.158 224.353 233.335 1.00 0.00 -0.343 N +ATOM 9141 CB ILE B 408 141.946 222.100 233.989 1.00 0.00 0.018 C +ATOM 9142 CG2 ILE B 408 141.345 220.701 234.118 1.00 0.00 0.010 C +ATOM 9143 CG1 ILE B 408 143.427 221.964 233.630 1.00 0.00 0.002 C +ATOM 9144 CD1 ILE B 408 144.147 223.283 233.442 1.00 0.00 0.004 C +ATOM 9145 H ILE B 408 141.377 224.478 234.158 1.00 0.00 0.164 HD +ATOM 9146 C TYR B 409 137.303 221.938 230.890 1.00 0.00 0.243 C +ATOM 9147 O TYR B 409 136.159 221.497 230.838 1.00 0.00 -0.272 OA +ATOM 9148 CA TYR B 409 138.489 220.988 231.100 1.00 0.00 0.175 C +ATOM 9149 N TYR B 409 139.718 221.672 231.511 1.00 0.00 -0.343 N +ATOM 9150 CB TYR B 409 138.109 219.904 232.124 1.00 0.00 0.070 C +ATOM 9151 CG TYR B 409 138.930 218.637 232.017 1.00 0.00 -0.045 A +ATOM 9152 CD1 TYR B 409 138.955 217.902 230.841 1.00 0.00 0.007 A +ATOM 9153 CD2 TYR B 409 139.662 218.166 233.097 1.00 0.00 0.007 A +ATOM 9154 CE1 TYR B 409 139.699 216.741 230.738 1.00 0.00 0.046 A +ATOM 9155 CE2 TYR B 409 140.410 217.007 233.004 1.00 0.00 0.046 A +ATOM 9156 CZ TYR B 409 140.424 216.299 231.822 1.00 0.00 0.115 A +ATOM 9157 OH TYR B 409 141.163 215.145 231.720 1.00 0.00 -0.507 OA +ATOM 9158 HH TYR B 409 141.554 214.990 232.446 1.00 0.00 0.294 HD +ATOM 9159 H TYR B 409 140.364 221.570 230.952 1.00 0.00 0.164 HD +ATOM 9160 C ASN B 410 136.521 224.725 229.076 1.00 0.00 0.242 C +ATOM 9161 O ASN B 410 137.220 225.677 228.731 1.00 0.00 -0.273 OA +ATOM 9162 CA ASN B 410 136.537 224.227 230.521 1.00 0.00 0.180 C +ATOM 9163 N ASN B 410 137.584 223.231 230.742 1.00 0.00 -0.342 N +ATOM 9164 CB ASN B 410 136.721 225.409 231.479 1.00 0.00 0.134 C +ATOM 9165 CG ASN B 410 135.500 226.313 231.538 1.00 0.00 0.220 C +ATOM 9166 OD1 ASN B 410 134.601 226.224 230.704 1.00 0.00 -0.275 OA +ATOM 9167 ND2 ASN B 410 135.470 227.197 232.531 1.00 0.00 -0.368 N +ATOM 9168 HD22 ASN B 410 136.117 227.227 233.096 1.00 0.00 0.159 HD +ATOM 9169 HD21 ASN B 410 134.674 227.844 232.623 1.00 0.00 0.159 HD +ATOM 9170 H ASN B 410 138.378 223.559 230.765 1.00 0.00 0.164 HD +ATOM 9171 C ASN B 411 134.648 225.667 226.619 1.00 0.00 0.242 C +ATOM 9172 O ASN B 411 134.611 226.244 225.531 1.00 0.00 -0.273 OA +ATOM 9173 CA ASN B 411 135.595 224.487 226.834 1.00 0.00 0.180 C +ATOM 9174 N ASN B 411 135.710 224.089 228.236 1.00 0.00 -0.342 N +ATOM 9175 CB ASN B 411 135.132 223.302 225.985 1.00 0.00 0.134 C +ATOM 9176 CG ASN B 411 136.220 222.266 225.785 1.00 0.00 0.220 C +ATOM 9177 OD1 ASN B 411 137.397 222.602 225.646 1.00 0.00 -0.275 OA +ATOM 9178 ND2 ASN B 411 135.831 220.997 225.769 1.00 0.00 -0.368 N +ATOM 9179 HD22 ASN B 411 136.410 220.371 225.659 1.00 0.00 0.159 HD +ATOM 9180 HD21 ASN B 411 135.000 220.801 225.869 1.00 0.00 0.159 HD +ATOM 9181 H ASN B 411 135.213 223.422 228.453 1.00 0.00 0.164 HD +ATOM 9182 C SER B 412 133.834 228.441 227.380 1.00 0.00 0.244 C +ATOM 9183 O SER B 412 133.410 229.399 226.736 1.00 0.00 -0.272 OA +ATOM 9184 CA SER B 412 132.998 227.177 227.540 1.00 0.00 0.197 C +ATOM 9185 N SER B 412 133.884 226.026 227.644 1.00 0.00 -0.342 N +ATOM 9186 CB SER B 412 132.089 227.285 228.763 1.00 0.00 0.191 C +ATOM 9187 OG SER B 412 132.542 228.297 229.641 1.00 0.00 -0.392 OA +ATOM 9188 HG SER B 412 133.321 228.123 229.902 1.00 0.00 0.210 HD +ATOM 9189 H SER B 412 133.860 225.623 228.403 1.00 0.00 0.164 HD +ATOM 9190 C ILE B 413 136.280 229.737 226.331 1.00 0.00 0.243 C +ATOM 9191 O ILE B 413 136.360 230.870 225.854 1.00 0.00 -0.272 OA +ATOM 9192 CA ILE B 413 135.973 229.529 227.809 1.00 0.00 0.174 C +ATOM 9193 N ILE B 413 135.026 228.432 227.970 1.00 0.00 -0.343 N +ATOM 9194 CB ILE B 413 137.286 229.263 228.582 1.00 0.00 0.018 C +ATOM 9195 CG2 ILE B 413 138.349 230.315 228.233 1.00 0.00 0.010 C +ATOM 9196 CG1 ILE B 413 137.012 229.258 230.088 1.00 0.00 0.002 C +ATOM 9197 CD1 ILE B 413 138.228 228.955 230.947 1.00 0.00 0.004 C +ATOM 9198 H ILE B 413 135.312 227.796 228.472 1.00 0.00 0.164 HD +ATOM 9199 C LEU B 414 135.612 229.316 223.403 1.00 0.00 0.243 C +ATOM 9200 O LEU B 414 135.828 230.178 222.551 1.00 0.00 -0.272 OA +ATOM 9201 CA LEU B 414 136.765 228.689 224.191 1.00 0.00 0.172 C +ATOM 9202 N LEU B 414 136.451 228.634 225.612 1.00 0.00 -0.345 N +ATOM 9203 CB LEU B 414 137.073 227.285 223.666 1.00 0.00 0.038 C +ATOM 9204 CG LEU B 414 137.642 227.192 222.249 1.00 0.00 -0.015 C +ATOM 9205 CD1 LEU B 414 139.004 227.859 222.172 1.00 0.00 0.007 C +ATOM 9206 CD2 LEU B 414 137.734 225.738 221.813 1.00 0.00 0.007 C +ATOM 9207 H LEU B 414 136.390 227.836 225.927 1.00 0.00 0.165 HD +ATOM 9208 C LEU B 415 132.971 230.873 223.442 1.00 0.00 0.243 C +ATOM 9209 O LEU B 415 132.565 231.699 222.626 1.00 0.00 -0.272 OA +ATOM 9210 CA LEU B 415 133.207 229.425 223.036 1.00 0.00 0.172 C +ATOM 9211 N LEU B 415 134.390 228.882 223.696 1.00 0.00 -0.345 N +ATOM 9212 CB LEU B 415 131.972 228.589 223.371 1.00 0.00 0.038 C +ATOM 9213 CG LEU B 415 131.975 227.126 222.925 1.00 0.00 -0.015 C +ATOM 9214 CD1 LEU B 415 130.607 226.513 223.175 1.00 0.00 0.007 C +ATOM 9215 CD2 LEU B 415 132.368 226.989 221.461 1.00 0.00 0.007 C +ATOM 9216 H LEU B 415 134.218 228.271 224.276 1.00 0.00 0.165 HD +ATOM 9217 C GLU B 416 133.831 233.552 224.497 1.00 0.00 0.242 C +ATOM 9218 O GLU B 416 133.292 234.602 224.146 1.00 0.00 -0.273 OA +ATOM 9219 CA GLU B 416 133.042 232.495 225.268 1.00 0.00 0.171 C +ATOM 9220 N GLU B 416 133.225 231.160 224.712 1.00 0.00 -0.344 N +ATOM 9221 CB GLU B 416 133.458 232.491 226.742 1.00 0.00 0.041 C +ATOM 9222 CG GLU B 416 133.311 233.819 227.464 1.00 0.00 0.055 C +ATOM 9223 CD GLU B 416 133.624 233.705 228.948 1.00 0.00 0.041 C +ATOM 9224 OE1 GLU B 416 133.533 232.582 229.497 1.00 0.00 -0.548 OA +ATOM 9225 OE2 GLU B 416 133.966 234.735 229.566 1.00 0.00 -0.549 OA +ATOM 9226 H GLU B 416 133.511 230.586 225.285 1.00 0.00 0.164 HD +ATOM 9227 C HIS B 417 136.178 233.981 222.092 1.00 0.00 0.242 C +ATOM 9228 O HIS B 417 136.400 234.922 221.331 1.00 0.00 -0.272 OA +ATOM 9229 CA HIS B 417 135.997 234.223 223.588 1.00 0.00 0.177 C +ATOM 9230 N HIS B 417 135.101 233.260 224.224 1.00 0.00 -0.343 N +ATOM 9231 CB HIS B 417 137.362 234.188 224.270 1.00 0.00 0.090 C +ATOM 9232 CG HIS B 417 137.317 234.544 225.720 1.00 0.00 0.037 A +ATOM 9233 ND1 HIS B 417 137.301 235.849 226.165 1.00 0.00 -0.347 N +ATOM 9234 CD2 HIS B 417 137.286 233.767 226.829 1.00 0.00 0.134 A +ATOM 9235 HD1 HIS B 417 137.315 236.546 225.662 1.00 0.00 0.167 HD +ATOM 9236 CE1 HIS B 417 137.263 235.860 227.485 1.00 0.00 0.196 A +ATOM 9237 NE2 HIS B 417 137.251 234.610 227.912 1.00 0.00 -0.245 NA +ATOM 9238 H HIS B 417 135.471 232.504 224.399 1.00 0.00 0.164 HD +ATOM 9239 C GLY B 418 137.791 232.218 219.978 1.00 0.00 0.239 C +ATOM 9240 O GLY B 418 138.635 232.680 220.744 1.00 0.00 -0.273 OA +ATOM 9241 CA GLY B 418 136.312 232.364 220.285 1.00 0.00 0.216 C +ATOM 9242 N GLY B 418 136.095 232.721 221.676 1.00 0.00 -0.346 N +ATOM 9243 H GLY B 418 135.912 232.053 222.185 1.00 0.00 0.164 HD +ATOM 9244 C ILE B 419 140.309 232.557 218.301 1.00 0.00 0.243 C +ATOM 9245 O ILE B 419 141.456 232.623 218.736 1.00 0.00 -0.272 OA +ATOM 9246 CA ILE B 419 139.487 231.287 218.498 1.00 0.00 0.174 C +ATOM 9247 N ILE B 419 138.103 231.580 218.854 1.00 0.00 -0.343 N +ATOM 9248 CB ILE B 419 139.568 230.432 217.211 1.00 0.00 0.018 C +ATOM 9249 CG2 ILE B 419 141.025 230.204 216.789 1.00 0.00 0.010 C +ATOM 9250 CG1 ILE B 419 138.860 229.087 217.409 1.00 0.00 0.002 C +ATOM 9251 CD1 ILE B 419 139.491 228.190 218.454 1.00 0.00 0.004 C +ATOM 9252 H ILE B 419 137.528 231.305 218.277 1.00 0.00 0.164 HD +ATOM 9253 C THR B 420 141.018 235.424 218.612 1.00 0.00 0.245 C +ATOM 9254 O THR B 420 142.197 235.773 218.654 1.00 0.00 -0.273 OA +ATOM 9255 CA THR B 420 140.439 234.796 217.351 1.00 0.00 0.199 C +ATOM 9256 N THR B 420 139.727 233.554 217.643 1.00 0.00 -0.341 N +ATOM 9257 CB THR B 420 139.520 235.825 216.665 1.00 0.00 0.143 C +ATOM 9258 CG2 THR B 420 140.278 237.114 216.354 1.00 0.00 0.041 C +ATOM 9259 OG1 THR B 420 139.017 235.274 215.444 1.00 0.00 -0.389 OA +ATOM 9260 HG1 THR B 420 139.654 235.085 214.930 1.00 0.00 0.211 HD +ATOM 9261 H THR B 420 138.918 233.537 217.352 1.00 0.00 0.164 HD +ATOM 9262 C GLN B 421 141.691 235.333 221.576 1.00 0.00 0.242 C +ATOM 9263 O GLN B 421 142.589 235.873 222.221 1.00 0.00 -0.273 OA +ATOM 9264 CA GLN B 421 140.613 236.171 220.888 1.00 0.00 0.171 C +ATOM 9265 N GLN B 421 140.187 235.559 219.638 1.00 0.00 -0.343 N +ATOM 9266 CB GLN B 421 139.415 236.359 221.819 1.00 0.00 0.045 C +ATOM 9267 CG GLN B 421 139.721 237.159 223.073 1.00 0.00 0.102 C +ATOM 9268 CD GLN B 421 140.261 238.542 222.763 1.00 0.00 0.217 C +ATOM 9269 OE1 GLN B 421 141.465 238.787 222.857 1.00 0.00 -0.275 OA +ATOM 9270 NE2 GLN B 421 139.372 239.455 222.390 1.00 0.00 -0.368 N +ATOM 9271 HE22 GLN B 421 138.540 239.247 222.334 1.00 0.00 0.159 HD +ATOM 9272 HE21 GLN B 421 139.629 240.254 222.203 1.00 0.00 0.159 HD +ATOM 9273 H GLN B 421 139.366 235.303 219.635 1.00 0.00 0.164 HD +ATOM 9274 C PHE B 422 143.967 233.343 221.407 1.00 0.00 0.243 C +ATOM 9275 O PHE B 422 144.959 233.447 222.127 1.00 0.00 -0.272 OA +ATOM 9276 CA PHE B 422 142.586 233.108 222.009 1.00 0.00 0.175 C +ATOM 9277 N PHE B 422 141.596 234.015 221.436 1.00 0.00 -0.343 N +ATOM 9278 CB PHE B 422 142.169 231.654 221.788 1.00 0.00 0.070 C +ATOM 9279 CG PHE B 422 141.552 231.008 222.992 1.00 0.00 -0.045 A +ATOM 9280 CD1 PHE B 422 140.358 231.477 223.511 1.00 0.00 0.004 A +ATOM 9281 CD2 PHE B 422 142.161 229.924 223.598 1.00 0.00 0.004 A +ATOM 9282 CE1 PHE B 422 139.790 230.880 224.617 1.00 0.00 0.000 A +ATOM 9283 CE2 PHE B 422 141.596 229.325 224.703 1.00 0.00 0.000 A +ATOM 9284 CZ PHE B 422 140.409 229.803 225.213 1.00 0.00 0.000 A +ATOM 9285 H PHE B 422 140.963 233.618 221.010 1.00 0.00 0.164 HD +ATOM 9286 C VAL B 423 145.893 234.976 219.721 1.00 0.00 0.243 C +ATOM 9287 O VAL B 423 147.098 235.065 219.951 1.00 0.00 -0.272 OA +ATOM 9288 CA VAL B 423 145.270 233.629 219.361 1.00 0.00 0.173 C +ATOM 9289 N VAL B 423 144.019 233.420 220.081 1.00 0.00 -0.343 N +ATOM 9290 CB VAL B 423 145.048 233.548 217.835 1.00 0.00 0.015 C +ATOM 9291 CG1 VAL B 423 146.325 233.888 217.071 1.00 0.00 0.010 C +ATOM 9292 CG2 VAL B 423 144.553 232.161 217.448 1.00 0.00 0.010 C +ATOM 9293 H VAL B 423 143.332 233.353 219.569 1.00 0.00 0.164 HD +ATOM 9294 C GLU B 424 146.107 237.380 221.530 1.00 0.00 0.242 C +ATOM 9295 O GLU B 424 147.147 237.985 221.795 1.00 0.00 -0.273 OA +ATOM 9296 CA GLU B 424 145.554 237.354 220.110 1.00 0.00 0.171 C +ATOM 9297 N GLU B 424 145.072 236.020 219.768 1.00 0.00 -0.344 N +ATOM 9298 CB GLU B 424 144.435 238.388 219.963 1.00 0.00 0.041 C +ATOM 9299 CG GLU B 424 144.011 238.634 218.525 1.00 0.00 0.055 C +ATOM 9300 CD GLU B 424 142.858 239.613 218.407 1.00 0.00 0.041 C +ATOM 9301 OE1 GLU B 424 142.006 239.651 219.321 1.00 0.00 -0.548 OA +ATOM 9302 OE2 GLU B 424 142.808 240.346 217.398 1.00 0.00 -0.549 OA +ATOM 9303 H GLU B 424 144.228 235.983 219.606 1.00 0.00 0.164 HD +ATOM 9304 C SER B 425 147.101 235.859 224.007 1.00 0.00 0.244 C +ATOM 9305 O SER B 425 148.082 236.363 224.552 1.00 0.00 -0.272 OA +ATOM 9306 CA SER B 425 145.812 236.657 223.831 1.00 0.00 0.197 C +ATOM 9307 N SER B 425 145.403 236.714 222.437 1.00 0.00 -0.342 N +ATOM 9308 CB SER B 425 144.702 236.042 224.682 1.00 0.00 0.191 C +ATOM 9309 OG SER B 425 143.543 236.856 224.677 1.00 0.00 -0.392 OA +ATOM 9310 HG SER B 425 143.256 236.943 223.893 1.00 0.00 0.210 HD +ATOM 9311 H SER B 425 144.678 236.284 222.267 1.00 0.00 0.164 HD +ATOM 9312 C PHE B 426 149.486 234.244 223.031 1.00 0.00 0.243 C +ATOM 9313 O PHE B 426 150.590 234.034 223.523 1.00 0.00 -0.272 OA +ATOM 9314 CA PHE B 426 148.232 233.717 223.712 1.00 0.00 0.175 C +ATOM 9315 N PHE B 426 147.090 234.612 223.546 1.00 0.00 -0.343 N +ATOM 9316 CB PHE B 426 147.909 232.323 223.165 1.00 0.00 0.070 C +ATOM 9317 CG PHE B 426 146.952 231.530 224.015 1.00 0.00 -0.045 A +ATOM 9318 CD1 PHE B 426 146.654 231.915 225.313 1.00 0.00 0.004 A +ATOM 9319 CD2 PHE B 426 146.357 230.387 223.512 1.00 0.00 0.004 A +ATOM 9320 CE1 PHE B 426 145.784 231.178 226.083 1.00 0.00 0.000 A +ATOM 9321 CE2 PHE B 426 145.483 229.648 224.281 1.00 0.00 0.000 A +ATOM 9322 CZ PHE B 426 145.195 230.044 225.567 1.00 0.00 0.000 A +ATOM 9323 H PHE B 426 146.427 234.256 223.129 1.00 0.00 0.164 HD +ATOM 9324 C THR B 427 151.154 236.528 222.077 1.00 0.00 0.245 C +ATOM 9325 O THR B 427 152.355 236.748 221.955 1.00 0.00 -0.273 OA +ATOM 9326 CA THR B 427 150.454 235.493 221.196 1.00 0.00 0.199 C +ATOM 9327 N THR B 427 149.319 234.919 221.901 1.00 0.00 -0.341 N +ATOM 9328 CB THR B 427 150.023 236.144 219.866 1.00 0.00 0.143 C +ATOM 9329 CG2 THR B 427 151.219 236.751 219.132 1.00 0.00 0.041 C +ATOM 9330 OG1 THR B 427 149.415 235.155 219.026 1.00 0.00 -0.389 OA +ATOM 9331 HG1 THR B 427 148.741 234.831 219.406 1.00 0.00 0.211 HD +ATOM 9332 H THR B 427 148.559 235.058 221.523 1.00 0.00 0.164 HD +ATOM 9333 C ARG B 428 151.465 237.692 225.176 1.00 0.00 0.242 C +ATOM 9334 O ARG B 428 152.276 238.365 225.808 1.00 0.00 -0.273 OA +ATOM 9335 CA ARG B 428 150.925 238.201 223.838 1.00 0.00 0.171 C +ATOM 9336 N ARG B 428 150.397 237.144 222.980 1.00 0.00 -0.344 N +ATOM 9337 CB ARG B 428 149.845 239.253 224.105 1.00 0.00 0.038 C +ATOM 9338 CG ARG B 428 149.650 240.251 222.973 1.00 0.00 0.040 C +ATOM 9339 CD ARG B 428 148.792 241.422 223.413 1.00 0.00 0.197 C +ATOM 9340 NE ARG B 428 147.476 240.991 223.889 1.00 0.00 -0.278 N +ATOM 9341 HE ARG B 428 146.987 240.541 223.342 1.00 0.00 0.260 HD +ATOM 9342 CZ ARG B 428 146.971 241.235 225.097 1.00 0.00 0.339 C +ATOM 9343 NH1 ARG B 428 147.653 241.928 226.002 1.00 0.00 -0.290 N +ATOM 9344 NH2 ARG B 428 145.762 240.786 225.405 1.00 0.00 -0.290 N +ATOM 9345 HH12 ARG B 428 148.438 242.225 225.814 1.00 0.00 0.256 HD +ATOM 9346 HH11 ARG B 428 147.311 242.078 226.776 1.00 0.00 0.256 HD +ATOM 9347 HH22 ARG B 428 145.310 240.338 224.827 1.00 0.00 0.256 HD +ATOM 9348 HH21 ARG B 428 145.430 240.943 226.182 1.00 0.00 0.256 HD +ATOM 9349 H ARG B 428 149.566 236.967 223.116 1.00 0.00 0.164 HD +ATOM 9350 C GLN B 429 152.695 235.228 226.927 1.00 0.00 0.242 C +ATOM 9351 O GLN B 429 152.844 234.275 226.170 1.00 0.00 -0.273 OA +ATOM 9352 CA GLN B 429 151.392 236.020 226.935 1.00 0.00 0.171 C +ATOM 9353 N GLN B 429 151.023 236.515 225.609 1.00 0.00 -0.343 N +ATOM 9354 CB GLN B 429 150.280 235.150 227.515 1.00 0.00 0.045 C +ATOM 9355 CG GLN B 429 150.623 234.611 228.895 1.00 0.00 0.102 C +ATOM 9356 CD GLN B 429 149.420 234.096 229.653 1.00 0.00 0.217 C +ATOM 9357 OE1 GLN B 429 148.322 233.984 229.106 1.00 0.00 -0.275 OA +ATOM 9358 NE2 GLN B 429 149.621 233.779 230.926 1.00 0.00 -0.368 N +ATOM 9359 HE22 GLN B 429 150.401 233.872 231.274 1.00 0.00 0.159 HD +ATOM 9360 HE21 GLN B 429 148.970 233.482 231.403 1.00 0.00 0.159 HD +ATOM 9361 H GLN B 429 150.513 235.987 225.161 1.00 0.00 0.164 HD +ATOM 9362 C ILE B 430 154.855 233.636 228.575 1.00 0.00 0.243 C +ATOM 9363 O ILE B 430 154.050 233.440 229.485 1.00 0.00 -0.272 OA +ATOM 9364 CA ILE B 430 154.934 234.995 227.884 1.00 0.00 0.174 C +ATOM 9365 N ILE B 430 153.620 235.622 227.797 1.00 0.00 -0.343 N +ATOM 9366 CB ILE B 430 155.935 235.903 228.649 1.00 0.00 0.018 C +ATOM 9367 CG2 ILE B 430 155.596 235.968 230.135 1.00 0.00 0.010 C +ATOM 9368 CG1 ILE B 430 157.376 235.433 228.445 1.00 0.00 0.002 C +ATOM 9369 CD1 ILE B 430 158.096 236.154 227.341 1.00 0.00 0.004 C +ATOM 9370 H ILE B 430 153.508 236.265 228.357 1.00 0.00 0.164 HD +ATOM 9371 C ALA B 431 157.025 231.426 229.727 1.00 0.00 0.243 C +ATOM 9372 O ALA B 431 157.795 232.385 229.741 1.00 0.00 -0.272 OA +ATOM 9373 CA ALA B 431 155.831 231.405 228.783 1.00 0.00 0.168 C +ATOM 9374 N ALA B 431 155.693 232.702 228.131 1.00 0.00 -0.344 N +ATOM 9375 CB ALA B 431 155.985 230.303 227.754 1.00 0.00 0.041 C +ATOM 9376 H ALA B 431 156.200 232.799 227.443 1.00 0.00 0.164 HD +ATOM 9377 C GLY B 432 159.508 229.634 230.918 1.00 0.00 0.239 C +ATOM 9378 O GLY B 432 159.461 228.960 229.891 1.00 0.00 -0.273 OA +ATOM 9379 CA GLY B 432 158.254 230.277 231.482 1.00 0.00 0.216 C +ATOM 9380 N GLY B 432 157.177 230.364 230.512 1.00 0.00 -0.346 N +ATOM 9381 H GLY B 432 156.662 229.675 230.500 1.00 0.00 0.164 HD +ATOM 9382 C ARG B 433 161.953 227.787 231.633 1.00 0.00 0.242 C +ATOM 9383 O ARG B 433 161.654 227.458 232.779 1.00 0.00 -0.273 OA +ATOM 9384 CA ARG B 433 161.903 229.253 231.209 1.00 0.00 0.171 C +ATOM 9385 N ARG B 433 160.630 229.848 231.599 1.00 0.00 -0.344 N +ATOM 9386 CB ARG B 433 163.066 230.026 231.832 1.00 0.00 0.038 C +ATOM 9387 CG ARG B 433 164.421 229.691 231.245 1.00 0.00 0.040 C +ATOM 9388 CD ARG B 433 165.528 230.455 231.947 1.00 0.00 0.197 C +ATOM 9389 NE ARG B 433 166.602 230.818 231.028 1.00 0.00 -0.278 N +ATOM 9390 HE ARG B 433 166.552 230.531 230.219 1.00 0.00 0.260 HD +ATOM 9391 CZ ARG B 433 167.653 231.564 231.358 1.00 0.00 0.339 C +ATOM 9392 NH1 ARG B 433 167.782 232.029 232.594 1.00 0.00 -0.290 N +ATOM 9393 NH2 ARG B 433 168.576 231.844 230.449 1.00 0.00 -0.290 N +ATOM 9394 HH12 ARG B 433 167.184 231.850 233.185 1.00 0.00 0.256 HD +ATOM 9395 HH11 ARG B 433 168.463 232.510 232.803 1.00 0.00 0.256 HD +ATOM 9396 HH22 ARG B 433 168.496 231.544 229.648 1.00 0.00 0.256 HD +ATOM 9397 HH21 ARG B 433 169.257 232.325 230.662 1.00 0.00 0.256 HD +ATOM 9398 H ARG B 433 160.680 230.343 232.301 1.00 0.00 0.164 HD +ATOM 9399 C VAL B 434 163.516 225.037 231.806 1.00 0.00 0.243 C +ATOM 9400 O VAL B 434 163.351 224.397 232.843 1.00 0.00 -0.272 OA +ATOM 9401 CA VAL B 434 162.316 225.473 230.968 1.00 0.00 0.173 C +ATOM 9402 N VAL B 434 162.337 226.910 230.710 1.00 0.00 -0.343 N +ATOM 9403 CB VAL B 434 162.274 224.677 229.653 1.00 0.00 0.015 C +ATOM 9404 CG1 VAL B 434 162.445 223.174 229.907 1.00 0.00 0.010 C +ATOM 9405 CG2 VAL B 434 160.959 224.940 228.938 1.00 0.00 0.010 C +ATOM 9406 H VAL B 434 162.614 227.122 229.924 1.00 0.00 0.164 HD +ATOM 9407 C ALA B 435 166.153 226.159 233.167 1.00 0.00 0.243 C +ATOM 9408 O ALA B 435 165.498 227.198 233.143 1.00 0.00 -0.272 OA +ATOM 9409 CA ALA B 435 165.924 225.077 232.118 1.00 0.00 0.168 C +ATOM 9410 N ALA B 435 164.719 225.374 231.355 1.00 0.00 -0.344 N +ATOM 9411 CB ALA B 435 167.124 224.966 231.200 1.00 0.00 0.041 C +ATOM 9412 H ALA B 435 164.864 225.776 230.609 1.00 0.00 0.164 HD +ATOM 9413 C GLY B 436 166.932 226.585 236.469 1.00 0.00 0.239 C +ATOM 9414 O GLY B 436 167.308 227.243 237.439 1.00 0.00 -0.273 OA +ATOM 9415 CA GLY B 436 167.459 226.894 235.081 1.00 0.00 0.216 C +ATOM 9416 N GLY B 436 167.080 225.908 234.086 1.00 0.00 -0.346 N +ATOM 9417 H GLY B 436 167.507 225.165 234.151 1.00 0.00 0.164 HD +ATOM 9418 C GLY B 437 164.444 225.927 238.450 1.00 0.00 0.239 C +ATOM 9419 O GLY B 437 164.233 227.087 238.095 1.00 0.00 -0.273 OA +ATOM 9420 CA GLY B 437 165.572 225.114 237.848 1.00 0.00 0.216 C +ATOM 9421 N GLY B 437 166.051 225.593 236.564 1.00 0.00 -0.346 N +ATOM 9422 H GLY B 437 165.714 225.180 235.889 1.00 0.00 0.164 HD +ATOM 9423 C ARG B 438 161.726 226.813 239.374 1.00 0.00 0.242 C +ATOM 9424 O ARG B 438 161.601 228.011 239.622 1.00 0.00 -0.273 OA +ATOM 9425 CA ARG B 438 162.694 225.950 240.179 1.00 0.00 0.171 C +ATOM 9426 N ARG B 438 163.711 225.291 239.361 1.00 0.00 -0.344 N +ATOM 9427 CB ARG B 438 163.375 226.801 241.255 1.00 0.00 0.038 C +ATOM 9428 CG ARG B 438 164.073 225.972 242.309 1.00 0.00 0.040 C +ATOM 9429 CD ARG B 438 165.047 226.789 243.125 1.00 0.00 0.197 C +ATOM 9430 NE ARG B 438 165.599 226.007 244.226 1.00 0.00 -0.278 N +ATOM 9431 HE ARG B 438 165.221 225.258 244.416 1.00 0.00 0.260 HD +ATOM 9432 CZ ARG B 438 166.646 226.373 244.956 1.00 0.00 0.339 C +ATOM 9433 NH1 ARG B 438 167.271 227.516 244.702 1.00 0.00 -0.290 N +ATOM 9434 NH2 ARG B 438 167.073 225.592 245.938 1.00 0.00 -0.290 N +ATOM 9435 HH12 ARG B 438 166.996 228.024 244.065 1.00 0.00 0.256 HD +ATOM 9436 HH11 ARG B 438 167.949 227.749 245.176 1.00 0.00 0.256 HD +ATOM 9437 HH22 ARG B 438 166.670 224.851 246.103 1.00 0.00 0.256 HD +ATOM 9438 HH21 ARG B 438 167.752 225.828 246.410 1.00 0.00 0.256 HD +ATOM 9439 H ARG B 438 163.787 224.451 239.529 1.00 0.00 0.164 HD +ATOM 9440 C ASN B 439 158.893 226.060 237.179 1.00 0.00 0.242 C +ATOM 9441 O ASN B 439 158.187 226.404 236.233 1.00 0.00 -0.273 OA +ATOM 9442 CA ASN B 439 160.067 226.928 237.615 1.00 0.00 0.180 C +ATOM 9443 N ASN B 439 161.042 226.201 238.414 1.00 0.00 -0.342 N +ATOM 9444 CB ASN B 439 160.745 227.538 236.385 1.00 0.00 0.134 C +ATOM 9445 CG ASN B 439 160.034 228.783 235.884 1.00 0.00 0.220 C +ATOM 9446 OD1 ASN B 439 159.507 229.572 236.671 1.00 0.00 -0.275 OA +ATOM 9447 ND2 ASN B 439 160.010 228.961 234.570 1.00 0.00 -0.368 N +ATOM 9448 HD22 ASN B 439 159.619 229.652 234.237 1.00 0.00 0.159 HD +ATOM 9449 HD21 ASN B 439 160.384 228.387 234.051 1.00 0.00 0.159 HD +ATOM 9450 H ASN B 439 161.124 225.370 238.208 1.00 0.00 0.164 HD +ATOM 9451 C VAL B 440 156.325 224.623 238.461 1.00 0.00 0.243 C +ATOM 9452 O VAL B 440 156.433 224.720 239.677 1.00 0.00 -0.272 OA +ATOM 9453 CA VAL B 440 157.502 224.112 237.629 1.00 0.00 0.173 C +ATOM 9454 N VAL B 440 158.673 224.950 237.880 1.00 0.00 -0.343 N +ATOM 9455 CB VAL B 440 157.760 222.632 237.972 1.00 0.00 0.015 C +ATOM 9456 CG1 VAL B 440 156.469 221.813 237.848 1.00 0.00 0.010 C +ATOM 9457 CG2 VAL B 440 158.840 222.063 237.061 1.00 0.00 0.010 C +ATOM 9458 H VAL B 440 159.186 224.660 238.506 1.00 0.00 0.164 HD +ATOM 9459 C PRO B 441 153.558 224.378 239.603 1.00 0.00 0.243 C +ATOM 9460 O PRO B 441 153.543 223.193 239.282 1.00 0.00 -0.271 OA +ATOM 9461 CA PRO B 441 154.030 225.414 238.581 1.00 0.00 0.175 C +ATOM 9462 N PRO B 441 155.191 224.947 237.812 1.00 0.00 -0.329 N +ATOM 9463 CB PRO B 441 152.960 225.635 237.510 1.00 0.00 0.037 C +ATOM 9464 CG PRO B 441 153.696 225.730 236.227 1.00 0.00 0.024 C +ATOM 9465 CD PRO B 441 154.901 224.875 236.371 1.00 0.00 0.121 C +ATOM 9466 C PRO B 442 151.521 223.009 241.355 1.00 0.00 0.243 C +ATOM 9467 O PRO B 442 151.340 221.895 241.845 1.00 0.00 -0.271 OA +ATOM 9468 CA PRO B 442 152.694 223.864 241.828 1.00 0.00 0.175 C +ATOM 9469 N PRO B 442 153.174 224.814 240.815 1.00 0.00 -0.329 N +ATOM 9470 CB PRO B 442 152.265 224.777 242.981 1.00 0.00 0.037 C +ATOM 9471 CG PRO B 442 153.090 225.996 242.819 1.00 0.00 0.024 C +ATOM 9472 CD PRO B 442 153.243 226.187 241.343 1.00 0.00 0.121 C +ATOM 9473 C ALA B 443 149.930 221.497 239.247 1.00 0.00 0.243 C +ATOM 9474 O ALA B 443 149.219 220.506 239.407 1.00 0.00 -0.272 OA +ATOM 9475 CA ALA B 443 149.565 222.828 239.905 1.00 0.00 0.168 C +ATOM 9476 N ALA B 443 150.743 223.529 240.410 1.00 0.00 -0.344 N +ATOM 9477 CB ALA B 443 148.818 223.709 238.919 1.00 0.00 0.041 C +ATOM 9478 H ALA B 443 150.877 224.295 240.042 1.00 0.00 0.164 HD +ATOM 9479 C VAL B 444 152.744 219.728 238.509 1.00 0.00 0.243 C +ATOM 9480 O VAL B 444 153.632 219.170 237.864 1.00 0.00 -0.272 OA +ATOM 9481 CA VAL B 444 151.490 220.270 237.829 1.00 0.00 0.173 C +ATOM 9482 N VAL B 444 151.034 221.482 238.506 1.00 0.00 -0.343 N +ATOM 9483 CB VAL B 444 151.763 220.529 236.333 1.00 0.00 0.015 C +ATOM 9484 CG1 VAL B 444 150.485 220.992 235.646 1.00 0.00 0.010 C +ATOM 9485 CG2 VAL B 444 152.871 221.558 236.145 1.00 0.00 0.010 C +ATOM 9486 H VAL B 444 151.540 222.165 238.378 1.00 0.00 0.164 HD +ATOM 9487 C GLN B 445 154.008 217.880 240.593 1.00 0.00 0.242 C +ATOM 9488 O GLN B 445 155.089 217.330 240.383 1.00 0.00 -0.273 OA +ATOM 9489 CA GLN B 445 153.906 219.403 240.632 1.00 0.00 0.171 C +ATOM 9490 N GLN B 445 152.796 219.892 239.825 1.00 0.00 -0.343 N +ATOM 9491 CB GLN B 445 153.743 219.884 242.075 1.00 0.00 0.045 C +ATOM 9492 CG GLN B 445 154.710 219.264 243.068 1.00 0.00 0.102 C +ATOM 9493 CD GLN B 445 154.530 219.810 244.469 1.00 0.00 0.217 C +ATOM 9494 OE1 GLN B 445 154.035 220.921 244.656 1.00 0.00 -0.275 OA +ATOM 9495 NE2 GLN B 445 154.926 219.025 245.464 1.00 0.00 -0.368 N +ATOM 9496 HE22 GLN B 445 155.264 218.253 245.295 1.00 0.00 0.159 HD +ATOM 9497 HE21 GLN B 445 154.845 219.290 246.279 1.00 0.00 0.159 HD +ATOM 9498 H GLN B 445 152.187 220.291 240.283 1.00 0.00 0.164 HD +ATOM 9499 C LYS B 446 153.176 215.117 239.504 1.00 0.00 0.242 C +ATOM 9500 O LYS B 446 153.565 213.953 239.432 1.00 0.00 -0.273 OA +ATOM 9501 CA LYS B 446 152.856 215.746 240.858 1.00 0.00 0.171 C +ATOM 9502 N LYS B 446 152.881 217.207 240.800 1.00 0.00 -0.344 N +ATOM 9503 CB LYS B 446 151.492 215.257 241.358 1.00 0.00 0.035 C +ATOM 9504 CG LYS B 446 151.450 214.975 242.856 1.00 0.00 0.008 C +ATOM 9505 CD LYS B 446 151.643 213.492 243.146 1.00 0.00 0.061 C +ATOM 9506 CE LYS B 446 152.049 213.240 244.593 1.00 0.00 0.258 C +ATOM 9507 NZ LYS B 446 151.099 213.811 245.583 1.00 0.00 -0.357 N +ATOM 9508 HZ1 LYS B 446 151.380 213.637 246.409 1.00 0.00 0.345 HD +ATOM 9509 HZ2 LYS B 446 151.042 214.692 245.476 1.00 0.00 0.345 HD +ATOM 9510 HZ3 LYS B 446 150.292 213.453 245.470 1.00 0.00 0.345 HD +ATOM 9511 H LYS B 446 152.111 217.574 240.911 1.00 0.00 0.164 HD +ATOM 9512 C VAL B 447 154.896 215.298 237.002 1.00 0.00 0.243 C +ATOM 9513 O VAL B 447 155.411 214.336 236.430 1.00 0.00 -0.272 OA +ATOM 9514 CA VAL B 447 153.380 215.428 237.102 1.00 0.00 0.173 C +ATOM 9515 N VAL B 447 153.016 215.890 238.435 1.00 0.00 -0.343 N +ATOM 9516 CB VAL B 447 152.862 216.383 236.008 1.00 0.00 0.015 C +ATOM 9517 CG1 VAL B 447 153.367 215.966 234.634 1.00 0.00 0.010 C +ATOM 9518 CG2 VAL B 447 151.344 216.418 236.016 1.00 0.00 0.010 C +ATOM 9519 H VAL B 447 152.697 216.688 238.455 1.00 0.00 0.164 HD +ATOM 9520 C SER B 448 157.535 215.040 238.411 1.00 0.00 0.244 C +ATOM 9521 O SER B 448 158.523 214.394 238.068 1.00 0.00 -0.272 OA +ATOM 9522 CA SER B 448 157.063 216.231 237.593 1.00 0.00 0.197 C +ATOM 9523 N SER B 448 155.606 216.275 237.557 1.00 0.00 -0.342 N +ATOM 9524 CB SER B 448 157.632 217.524 238.175 1.00 0.00 0.191 C +ATOM 9525 OG SER B 448 157.432 218.609 237.290 1.00 0.00 -0.392 OA +ATOM 9526 HG SER B 448 157.749 219.312 237.622 1.00 0.00 0.210 HD +ATOM 9527 H SER B 448 155.267 216.977 237.921 1.00 0.00 0.164 HD +ATOM 9528 C GLN B 449 156.964 212.312 239.590 1.00 0.00 0.242 C +ATOM 9529 O GLN B 449 157.771 211.391 239.698 1.00 0.00 -0.273 OA +ATOM 9530 CA GLN B 449 157.168 213.621 240.344 1.00 0.00 0.171 C +ATOM 9531 N GLN B 449 156.825 214.753 239.496 1.00 0.00 -0.343 N +ATOM 9532 CB GLN B 449 156.332 213.631 241.623 1.00 0.00 0.045 C +ATOM 9533 CG GLN B 449 156.809 212.629 242.655 1.00 0.00 0.102 C +ATOM 9534 CD GLN B 449 156.109 212.774 243.986 1.00 0.00 0.217 C +ATOM 9535 OE1 GLN B 449 155.239 213.626 244.154 1.00 0.00 -0.275 OA +ATOM 9536 NE2 GLN B 449 156.494 211.944 244.947 1.00 0.00 -0.368 N +ATOM 9537 HE22 GLN B 449 157.110 211.364 244.794 1.00 0.00 0.159 HD +ATOM 9538 HE21 GLN B 449 156.126 211.985 245.724 1.00 0.00 0.159 HD +ATOM 9539 H GLN B 449 156.139 215.199 239.762 1.00 0.00 0.164 HD +ATOM 9540 C ALA B 450 156.608 210.848 236.939 1.00 0.00 0.243 C +ATOM 9541 O ALA B 450 156.920 209.719 236.571 1.00 0.00 -0.272 OA +ATOM 9542 CA ALA B 450 155.574 211.051 238.042 1.00 0.00 0.168 C +ATOM 9543 N ALA B 450 155.881 212.241 238.824 1.00 0.00 -0.344 N +ATOM 9544 CB ALA B 450 154.182 211.152 237.450 1.00 0.00 0.041 C +ATOM 9545 H ALA B 450 155.304 212.873 238.739 1.00 0.00 0.164 HD +ATOM 9546 C SER B 451 159.447 211.314 235.893 1.00 0.00 0.244 C +ATOM 9547 O SER B 451 160.159 210.599 235.188 1.00 0.00 -0.272 OA +ATOM 9548 CA SER B 451 158.134 211.878 235.354 1.00 0.00 0.197 C +ATOM 9549 N SER B 451 157.138 211.948 236.414 1.00 0.00 -0.342 N +ATOM 9550 CB SER B 451 158.357 213.258 234.736 1.00 0.00 0.191 C +ATOM 9551 OG SER B 451 159.095 213.164 233.531 1.00 0.00 -0.392 OA +ATOM 9552 HG SER B 451 159.209 213.929 233.203 1.00 0.00 0.210 HD +ATOM 9553 H SER B 451 156.936 212.748 236.656 1.00 0.00 0.164 HD +ATOM 9554 C ILE B 452 160.716 209.613 238.132 1.00 0.00 0.243 C +ATOM 9555 O ILE B 452 161.544 208.764 237.806 1.00 0.00 -0.272 OA +ATOM 9556 CA ILE B 452 160.939 211.085 237.804 1.00 0.00 0.174 C +ATOM 9557 N ILE B 452 159.761 211.635 237.145 1.00 0.00 -0.343 N +ATOM 9558 CB ILE B 452 161.284 211.850 239.104 1.00 0.00 0.018 C +ATOM 9559 CG2 ILE B 452 162.412 211.146 239.870 1.00 0.00 0.010 C +ATOM 9560 CG1 ILE B 452 161.693 213.291 238.784 1.00 0.00 0.002 C +ATOM 9561 CD1 ILE B 452 161.900 214.167 240.010 1.00 0.00 0.004 C +ATOM 9562 H ILE B 452 159.304 212.173 237.636 1.00 0.00 0.164 HD +ATOM 9563 C ASP B 453 159.282 206.992 238.040 1.00 0.00 0.242 C +ATOM 9564 O ASP B 453 159.807 205.884 238.134 1.00 0.00 -0.273 OA +ATOM 9565 CA ASP B 453 159.286 207.961 239.215 1.00 0.00 0.176 C +ATOM 9566 N ASP B 453 159.599 209.321 238.791 1.00 0.00 -0.343 N +ATOM 9567 CB ASP B 453 157.925 207.918 239.916 1.00 0.00 0.087 C +ATOM 9568 CG ASP B 453 157.956 208.547 241.297 1.00 0.00 0.044 C +ATOM 9569 OD1 ASP B 453 159.009 208.481 241.962 1.00 0.00 -0.548 OA +ATOM 9570 OD2 ASP B 453 156.921 209.102 241.719 1.00 0.00 -0.549 OA +ATOM 9571 H ASP B 453 159.000 209.900 239.007 1.00 0.00 0.164 HD +ATOM 9572 C GLN B 454 159.869 206.324 235.066 1.00 0.00 0.242 C +ATOM 9573 O GLN B 454 160.063 205.286 234.436 1.00 0.00 -0.273 OA +ATOM 9574 CA GLN B 454 158.535 206.565 235.769 1.00 0.00 0.171 C +ATOM 9575 N GLN B 454 158.693 207.423 236.932 1.00 0.00 -0.343 N +ATOM 9576 CB GLN B 454 157.514 207.175 234.809 1.00 0.00 0.045 C +ATOM 9577 CG GLN B 454 156.082 207.086 235.328 1.00 0.00 0.102 C +ATOM 9578 CD GLN B 454 155.109 207.937 234.538 1.00 0.00 0.217 C +ATOM 9579 OE1 GLN B 454 155.422 208.415 233.448 1.00 0.00 -0.275 OA +ATOM 9580 NE2 GLN B 454 153.918 208.135 235.089 1.00 0.00 -0.368 N +ATOM 9581 HE22 GLN B 454 153.736 207.787 235.854 1.00 0.00 0.159 HD +ATOM 9582 HE21 GLN B 454 153.329 208.611 234.682 1.00 0.00 0.159 HD +ATOM 9583 H GLN B 454 158.373 208.215 236.829 1.00 0.00 0.164 HD +ATOM 9584 C SER B 455 162.834 205.944 235.399 1.00 0.00 0.244 C +ATOM 9585 O SER B 455 163.555 205.157 234.791 1.00 0.00 -0.272 OA +ATOM 9586 CA SER B 455 162.145 207.094 234.676 1.00 0.00 0.197 C +ATOM 9587 N SER B 455 160.788 207.279 235.181 1.00 0.00 -0.342 N +ATOM 9588 CB SER B 455 162.968 208.372 234.840 1.00 0.00 0.191 C +ATOM 9589 OG SER B 455 162.740 209.262 233.765 1.00 0.00 -0.392 OA +ATOM 9590 HG SER B 455 162.956 208.897 233.040 1.00 0.00 0.210 HD +ATOM 9591 H SER B 455 160.651 208.045 235.548 1.00 0.00 0.164 HD +ATOM 9592 C ARG B 456 162.614 203.482 237.300 1.00 0.00 0.242 C +ATOM 9593 O ARG B 456 163.304 202.465 237.277 1.00 0.00 -0.273 OA +ATOM 9594 CA ARG B 456 163.240 204.844 237.533 1.00 0.00 0.171 C +ATOM 9595 N ARG B 456 162.608 205.862 236.705 1.00 0.00 -0.344 N +ATOM 9596 CB ARG B 456 163.131 205.221 239.004 1.00 0.00 0.038 C +ATOM 9597 CG ARG B 456 163.769 206.549 239.333 1.00 0.00 0.040 C +ATOM 9598 CD ARG B 456 163.396 206.994 240.723 1.00 0.00 0.197 C +ATOM 9599 NE ARG B 456 164.139 208.180 241.127 1.00 0.00 -0.278 N +ATOM 9600 HE ARG B 456 164.630 208.567 240.537 1.00 0.00 0.260 HD +ATOM 9601 CZ ARG B 456 164.053 208.739 242.328 1.00 0.00 0.339 C +ATOM 9602 NH1 ARG B 456 163.254 208.218 243.248 1.00 0.00 -0.290 N +ATOM 9603 NH2 ARG B 456 164.768 209.818 242.608 1.00 0.00 -0.290 N +ATOM 9604 HH12 ARG B 456 162.789 207.517 243.067 1.00 0.00 0.256 HD +ATOM 9605 HH11 ARG B 456 163.199 208.581 244.026 1.00 0.00 0.256 HD +ATOM 9606 HH22 ARG B 456 165.287 210.157 242.012 1.00 0.00 0.256 HD +ATOM 9607 HH21 ARG B 456 164.713 210.180 243.386 1.00 0.00 0.256 HD +ATOM 9608 H ARG B 456 162.086 206.389 237.139 1.00 0.00 0.164 HD +ATOM 9609 C GLN B 457 161.065 201.690 235.487 1.00 0.00 0.242 C +ATOM 9610 O GLN B 457 161.050 200.478 235.276 1.00 0.00 -0.273 OA +ATOM 9611 CA GLN B 457 160.572 202.256 236.816 1.00 0.00 0.171 C +ATOM 9612 N GLN B 457 161.297 203.473 237.139 1.00 0.00 -0.343 N +ATOM 9613 CB GLN B 457 159.069 202.532 236.763 1.00 0.00 0.045 C +ATOM 9614 CG GLN B 457 158.225 201.339 236.344 1.00 0.00 0.102 C +ATOM 9615 CD GLN B 457 156.738 201.589 236.514 1.00 0.00 0.217 C +ATOM 9616 OE1 GLN B 457 156.320 202.678 236.914 1.00 0.00 -0.275 OA +ATOM 9617 NE2 GLN B 457 155.931 200.580 236.209 1.00 0.00 -0.368 N +ATOM 9618 HE22 GLN B 457 156.259 199.835 235.932 1.00 0.00 0.159 HD +ATOM 9619 HE21 GLN B 457 155.079 200.671 236.288 1.00 0.00 0.159 HD +ATOM 9620 H GLN B 457 160.796 204.168 237.213 1.00 0.00 0.164 HD +ATOM 9621 C MET B 458 163.539 202.049 233.273 1.00 0.00 0.242 C +ATOM 9622 O MET B 458 164.133 201.797 232.228 1.00 0.00 -0.272 OA +ATOM 9623 CA MET B 458 162.015 202.188 233.288 1.00 0.00 0.172 C +ATOM 9624 N MET B 458 161.512 202.579 234.602 1.00 0.00 -0.344 N +ATOM 9625 CB MET B 458 161.571 203.200 232.232 1.00 0.00 0.046 C +ATOM 9626 CG MET B 458 160.082 203.154 231.924 1.00 0.00 0.072 C +ATOM 9627 SD MET B 458 159.611 204.220 230.548 1.00 0.00 -0.165 SA +ATOM 9628 CE MET B 458 160.046 205.838 231.177 1.00 0.00 0.085 C +ATOM 9629 H MET B 458 161.533 203.427 234.741 1.00 0.00 0.164 HD +ATOM 9630 C LYS B 459 166.479 202.821 233.701 1.00 0.00 0.242 C +ATOM 9631 O LYS B 459 167.360 202.307 233.014 1.00 0.00 -0.273 OA +ATOM 9632 CA LYS B 459 165.592 201.954 234.595 1.00 0.00 0.171 C +ATOM 9633 N LYS B 459 164.164 202.219 234.433 1.00 0.00 -0.344 N +ATOM 9634 CB LYS B 459 165.885 200.477 234.313 1.00 0.00 0.035 C +ATOM 9635 CG LYS B 459 165.111 199.496 235.194 1.00 0.00 0.008 C +ATOM 9636 CD LYS B 459 165.677 199.424 236.602 1.00 0.00 0.061 C +ATOM 9637 CE LYS B 459 167.002 198.671 236.640 1.00 0.00 0.258 C +ATOM 9638 NZ LYS B 459 167.721 198.856 237.927 1.00 0.00 -0.357 N +ATOM 9639 HZ1 LYS B 459 168.488 198.404 237.915 1.00 0.00 0.345 HD +ATOM 9640 HZ2 LYS B 459 167.896 199.719 238.056 1.00 0.00 0.345 HD +ATOM 9641 HZ3 LYS B 459 167.221 198.559 238.600 1.00 0.00 0.345 HD +ATOM 9642 H LYS B 459 163.779 202.491 235.152 1.00 0.00 0.164 HD +ATOM 9643 C TYR B 460 168.515 205.080 233.512 1.00 0.00 0.243 C +ATOM 9644 O TYR B 460 168.719 205.019 234.723 1.00 0.00 -0.272 OA +ATOM 9645 CA TYR B 460 167.098 205.051 232.959 1.00 0.00 0.175 C +ATOM 9646 N TYR B 460 166.255 204.131 233.716 1.00 0.00 -0.343 N +ATOM 9647 CB TYR B 460 166.530 206.474 232.984 1.00 0.00 0.070 C +ATOM 9648 CG TYR B 460 165.419 206.748 231.998 1.00 0.00 -0.045 A +ATOM 9649 CD1 TYR B 460 164.692 205.715 231.429 1.00 0.00 0.007 A +ATOM 9650 CD2 TYR B 460 165.106 208.049 231.629 1.00 0.00 0.007 A +ATOM 9651 CE1 TYR B 460 163.681 205.970 230.530 1.00 0.00 0.046 A +ATOM 9652 CE2 TYR B 460 164.099 208.313 230.728 1.00 0.00 0.046 A +ATOM 9653 CZ TYR B 460 163.390 207.270 230.183 1.00 0.00 0.115 A +ATOM 9654 OH TYR B 460 162.384 207.527 229.286 1.00 0.00 -0.507 OA +ATOM 9655 HH TYR B 460 162.312 208.355 229.164 1.00 0.00 0.294 HD +ATOM 9656 H TYR B 460 165.623 204.513 234.157 1.00 0.00 0.164 HD +ATOM 9657 C GLN B 461 170.993 206.885 233.490 1.00 0.00 0.242 C +ATOM 9658 O GLN B 461 170.038 207.656 233.406 1.00 0.00 -0.273 OA +ATOM 9659 CA GLN B 461 170.865 205.436 233.029 1.00 0.00 0.171 C +ATOM 9660 N GLN B 461 169.492 205.185 232.618 1.00 0.00 -0.343 N +ATOM 9661 CB GLN B 461 171.841 205.135 231.890 1.00 0.00 0.045 C +ATOM 9662 CG GLN B 461 172.081 203.648 231.678 1.00 0.00 0.102 C +ATOM 9663 CD GLN B 461 173.051 203.360 230.553 1.00 0.00 0.217 C +ATOM 9664 OE1 GLN B 461 174.171 203.871 230.534 1.00 0.00 -0.275 OA +ATOM 9665 NE2 GLN B 461 172.624 202.535 229.606 1.00 0.00 -0.368 N +ATOM 9666 HE22 GLN B 461 171.835 202.197 229.654 1.00 0.00 0.159 HD +ATOM 9667 HE21 GLN B 461 173.137 202.339 228.944 1.00 0.00 0.159 HD +ATOM 9668 H GLN B 461 169.385 205.115 231.768 1.00 0.00 0.164 HD +ATOM 9669 C SER B 462 172.419 209.670 233.504 1.00 0.00 0.244 C +ATOM 9670 O SER B 462 172.590 209.402 232.314 1.00 0.00 -0.272 OA +ATOM 9671 CA SER B 462 172.356 208.576 234.563 1.00 0.00 0.197 C +ATOM 9672 N SER B 462 172.168 207.254 233.983 1.00 0.00 -0.342 N +ATOM 9673 CB SER B 462 173.627 208.611 235.411 1.00 0.00 0.191 C +ATOM 9674 OG SER B 462 174.783 208.600 234.595 1.00 0.00 -0.392 OA +ATOM 9675 HG SER B 462 175.473 208.619 235.074 1.00 0.00 0.210 HD +ATOM 9676 H SER B 462 172.871 206.759 233.994 1.00 0.00 0.164 HD +ATOM 9677 C PHE B 463 173.698 212.134 232.378 1.00 0.00 0.243 C +ATOM 9678 O PHE B 463 173.745 212.441 231.188 1.00 0.00 -0.272 OA +ATOM 9679 CA PHE B 463 172.367 212.084 233.116 1.00 0.00 0.175 C +ATOM 9680 N PHE B 463 172.276 210.906 233.965 1.00 0.00 -0.343 N +ATOM 9681 CB PHE B 463 172.182 213.340 233.971 1.00 0.00 0.070 C +ATOM 9682 CG PHE B 463 172.248 214.626 233.203 1.00 0.00 -0.045 A +ATOM 9683 CD1 PHE B 463 171.227 214.989 232.345 1.00 0.00 0.004 A +ATOM 9684 CD2 PHE B 463 173.316 215.487 233.366 1.00 0.00 0.004 A +ATOM 9685 CE1 PHE B 463 171.277 216.181 231.658 1.00 0.00 0.000 A +ATOM 9686 CE2 PHE B 463 173.371 216.678 232.678 1.00 0.00 0.000 A +ATOM 9687 CZ PHE B 463 172.351 217.025 231.822 1.00 0.00 0.000 A +ATOM 9688 H PHE B 463 172.121 211.092 234.790 1.00 0.00 0.164 HD +ATOM 9689 C ASN B 464 176.299 210.784 231.430 1.00 0.00 0.242 C +ATOM 9690 O ASN B 464 177.066 210.970 230.489 1.00 0.00 -0.273 OA +ATOM 9691 CA ASN B 464 176.111 211.863 232.495 1.00 0.00 0.180 C +ATOM 9692 N ASN B 464 174.778 211.827 233.087 1.00 0.00 -0.342 N +ATOM 9693 CB ASN B 464 177.183 211.717 233.584 1.00 0.00 0.134 C +ATOM 9694 CG ASN B 464 177.842 213.044 233.952 1.00 0.00 0.220 C +ATOM 9695 OD1 ASN B 464 177.462 214.104 233.454 1.00 0.00 -0.275 OA +ATOM 9696 ND2 ASN B 464 178.834 212.983 234.835 1.00 0.00 -0.368 N +ATOM 9697 HD22 ASN B 464 179.239 213.702 235.077 1.00 0.00 0.159 HD +ATOM 9698 HD21 ASN B 464 179.071 212.225 235.165 1.00 0.00 0.159 HD +ATOM 9699 H ASN B 464 174.767 211.595 233.915 1.00 0.00 0.164 HD +ATOM 9700 C GLU B 465 175.004 209.060 229.275 1.00 0.00 0.242 C +ATOM 9701 O GLU B 465 175.469 208.748 228.178 1.00 0.00 -0.273 OA +ATOM 9702 CA GLU B 465 175.680 208.609 230.565 1.00 0.00 0.171 C +ATOM 9703 N GLU B 465 175.603 209.661 231.571 1.00 0.00 -0.344 N +ATOM 9704 CB GLU B 465 175.040 207.313 231.072 1.00 0.00 0.041 C +ATOM 9705 CG GLU B 465 175.836 206.594 232.155 1.00 0.00 0.055 C +ATOM 9706 CD GLU B 465 177.277 206.355 231.759 1.00 0.00 0.041 C +ATOM 9707 OE1 GLU B 465 177.514 205.636 230.768 1.00 0.00 -0.548 OA +ATOM 9708 OE2 GLU B 465 178.174 206.898 232.437 1.00 0.00 -0.549 OA +ATOM 9709 H GLU B 465 175.083 209.484 232.233 1.00 0.00 0.164 HD +ATOM 9710 C TYR B 466 173.966 211.444 227.578 1.00 0.00 0.243 C +ATOM 9711 O TYR B 466 173.889 211.616 226.364 1.00 0.00 -0.272 OA +ATOM 9712 CA TYR B 466 173.196 210.310 228.247 1.00 0.00 0.175 C +ATOM 9713 N TYR B 466 173.909 209.801 229.409 1.00 0.00 -0.343 N +ATOM 9714 CB TYR B 466 171.789 210.767 228.639 1.00 0.00 0.070 C +ATOM 9715 CG TYR B 466 170.812 209.619 228.687 1.00 0.00 -0.045 A +ATOM 9716 CD1 TYR B 466 170.262 209.107 227.519 1.00 0.00 0.007 A +ATOM 9717 CD2 TYR B 466 170.461 209.026 229.891 1.00 0.00 0.007 A +ATOM 9718 CE1 TYR B 466 169.384 208.048 227.552 1.00 0.00 0.046 A +ATOM 9719 CE2 TYR B 466 169.580 207.967 229.932 1.00 0.00 0.046 A +ATOM 9720 CZ TYR B 466 169.045 207.483 228.761 1.00 0.00 0.115 A +ATOM 9721 OH TYR B 466 168.169 206.432 228.798 1.00 0.00 -0.507 OA +ATOM 9722 HH TYR B 466 167.919 206.238 228.020 1.00 0.00 0.294 HD +ATOM 9723 H TYR B 466 173.560 210.023 230.163 1.00 0.00 0.164 HD +ATOM 9724 C ARG B 467 176.616 212.573 226.871 1.00 0.00 0.242 C +ATOM 9725 O ARG B 467 176.808 213.036 225.746 1.00 0.00 -0.273 OA +ATOM 9726 CA ARG B 467 175.613 213.216 227.819 1.00 0.00 0.171 C +ATOM 9727 N ARG B 467 174.717 212.205 228.367 1.00 0.00 -0.344 N +ATOM 9728 CB ARG B 467 176.361 213.949 228.930 1.00 0.00 0.038 C +ATOM 9729 CG ARG B 467 175.473 214.697 229.913 1.00 0.00 0.040 C +ATOM 9730 CD ARG B 467 175.403 216.175 229.612 1.00 0.00 0.197 C +ATOM 9731 NE ARG B 467 176.724 216.782 229.480 1.00 0.00 -0.278 N +ATOM 9732 HE ARG B 467 177.400 216.343 229.779 1.00 0.00 0.260 HD +ATOM 9733 CZ ARG B 467 176.940 217.995 228.982 1.00 0.00 0.339 C +ATOM 9734 NH1 ARG B 467 178.175 218.465 228.893 1.00 0.00 -0.290 N +ATOM 9735 NH2 ARG B 467 175.922 218.741 228.571 1.00 0.00 -0.290 N +ATOM 9736 HH12 ARG B 467 178.838 217.986 229.159 1.00 0.00 0.256 HD +ATOM 9737 HH11 ARG B 467 178.314 219.251 228.573 1.00 0.00 0.256 HD +ATOM 9738 HH22 ARG B 467 175.118 218.439 228.625 1.00 0.00 0.256 HD +ATOM 9739 HH21 ARG B 467 176.066 219.526 228.250 1.00 0.00 0.256 HD +ATOM 9740 H ARG B 467 174.727 212.155 229.226 1.00 0.00 0.164 HD +ATOM 9741 C LYS B 468 177.649 210.149 225.313 1.00 0.00 0.242 C +ATOM 9742 O LYS B 468 178.273 210.092 224.256 1.00 0.00 -0.273 OA +ATOM 9743 CA LYS B 468 178.266 210.809 226.547 1.00 0.00 0.171 C +ATOM 9744 N LYS B 468 177.257 211.506 227.337 1.00 0.00 -0.344 N +ATOM 9745 CB LYS B 468 178.985 209.766 227.407 1.00 0.00 0.035 C +ATOM 9746 CG LYS B 468 179.809 210.374 228.541 1.00 0.00 0.008 C +ATOM 9747 CD LYS B 468 180.773 209.373 229.160 1.00 0.00 0.061 C +ATOM 9748 CE LYS B 468 180.067 208.375 230.062 1.00 0.00 0.258 C +ATOM 9749 NZ LYS B 468 181.037 207.441 230.705 1.00 0.00 -0.357 N +ATOM 9750 HZ1 LYS B 468 180.604 206.866 231.228 1.00 0.00 0.345 HD +ATOM 9751 HZ2 LYS B 468 181.481 206.987 230.082 1.00 0.00 0.345 HD +ATOM 9752 HZ3 LYS B 468 181.619 207.899 231.199 1.00 0.00 0.345 HD +ATOM 9753 H LYS B 468 177.125 211.163 228.114 1.00 0.00 0.164 HD +ATOM 9754 C ARG B 469 175.496 209.967 223.196 1.00 0.00 0.242 C +ATOM 9755 O ARG B 469 175.439 209.552 222.042 1.00 0.00 -0.273 OA +ATOM 9756 CA ARG B 469 175.717 209.007 224.357 1.00 0.00 0.171 C +ATOM 9757 N ARG B 469 176.420 209.664 225.455 1.00 0.00 -0.344 N +ATOM 9758 CB ARG B 469 174.380 208.444 224.847 1.00 0.00 0.038 C +ATOM 9759 CG ARG B 469 173.423 207.991 223.752 1.00 0.00 0.040 C +ATOM 9760 CD ARG B 469 174.011 206.884 222.883 1.00 0.00 0.197 C +ATOM 9761 NE ARG B 469 173.039 206.400 221.907 1.00 0.00 -0.278 N +ATOM 9762 HE ARG B 469 172.630 205.664 222.079 1.00 0.00 0.260 HD +ATOM 9763 CZ ARG B 469 172.744 207.021 220.768 1.00 0.00 0.339 C +ATOM 9764 NH1 ARG B 469 173.344 208.158 220.444 1.00 0.00 -0.290 N +ATOM 9765 NH2 ARG B 469 171.842 206.501 219.947 1.00 0.00 -0.290 N +ATOM 9766 HH12 ARG B 469 173.929 208.501 220.973 1.00 0.00 0.256 HD +ATOM 9767 HH11 ARG B 469 173.148 208.553 219.706 1.00 0.00 0.256 HD +ATOM 9768 HH22 ARG B 469 171.449 205.764 220.150 1.00 0.00 0.256 HD +ATOM 9769 HH21 ARG B 469 171.651 206.901 219.209 1.00 0.00 0.256 HD +ATOM 9770 H ARG B 469 175.966 209.704 226.185 1.00 0.00 0.164 HD +ATOM 9771 C PHE B 470 176.415 213.170 222.349 1.00 0.00 0.243 C +ATOM 9772 O PHE B 470 176.308 214.349 222.014 1.00 0.00 -0.272 OA +ATOM 9773 CA PHE B 470 175.186 212.270 222.478 1.00 0.00 0.175 C +ATOM 9774 N PHE B 470 175.378 211.254 223.505 1.00 0.00 -0.343 N +ATOM 9775 CB PHE B 470 173.921 213.071 222.779 1.00 0.00 0.070 C +ATOM 9776 CG PHE B 470 172.664 212.282 222.557 1.00 0.00 -0.045 A +ATOM 9777 CD1 PHE B 470 172.141 211.487 223.561 1.00 0.00 0.004 A +ATOM 9778 CD2 PHE B 470 172.028 212.306 221.327 1.00 0.00 0.004 A +ATOM 9779 CE1 PHE B 470 170.998 210.750 223.350 1.00 0.00 0.000 A +ATOM 9780 CE2 PHE B 470 170.884 211.572 221.113 1.00 0.00 0.000 A +ATOM 9781 CZ PHE B 470 170.368 210.791 222.125 1.00 0.00 0.000 A +ATOM 9782 H PHE B 470 175.407 211.565 224.306 1.00 0.00 0.164 HD +ATOM 9783 C MET B 471 179.131 214.487 223.073 1.00 0.00 0.242 C +ATOM 9784 O MET B 471 179.779 215.398 222.565 1.00 0.00 -0.272 OA +ATOM 9785 CA MET B 471 178.876 213.190 222.311 1.00 0.00 0.172 C +ATOM 9786 N MET B 471 177.580 212.582 222.618 1.00 0.00 -0.344 N +ATOM 9787 CB MET B 471 178.993 213.441 220.804 1.00 0.00 0.046 C +ATOM 9788 CG MET B 471 179.162 212.169 219.990 1.00 0.00 0.072 C +ATOM 9789 SD MET B 471 179.930 212.449 218.381 1.00 0.00 -0.165 SA +ATOM 9790 CE MET B 471 181.570 212.990 218.864 1.00 0.00 0.085 C +ATOM 9791 H MET B 471 177.648 211.809 222.988 1.00 0.00 0.164 HD +ATOM 9792 C LEU B 472 179.828 215.252 226.288 1.00 0.00 0.243 C +ATOM 9793 O LEU B 472 179.810 214.097 226.705 1.00 0.00 -0.272 OA +ATOM 9794 CA LEU B 472 178.886 215.685 225.178 1.00 0.00 0.172 C +ATOM 9795 N LEU B 472 178.626 214.555 224.297 1.00 0.00 -0.345 N +ATOM 9796 CB LEU B 472 177.586 216.226 225.771 1.00 0.00 0.038 C +ATOM 9797 CG LEU B 472 176.459 216.467 224.769 1.00 0.00 -0.015 C +ATOM 9798 CD1 LEU B 472 175.180 216.812 225.500 1.00 0.00 0.007 C +ATOM 9799 CD2 LEU B 472 176.838 217.564 223.792 1.00 0.00 0.007 C +ATOM 9800 H LEU B 472 178.123 213.951 224.646 1.00 0.00 0.165 HD +ATOM 9801 C LYS B 473 180.698 215.720 229.150 1.00 0.00 0.242 C +ATOM 9802 O LYS B 473 179.814 216.530 229.418 1.00 0.00 -0.273 OA +ATOM 9803 CA LYS B 473 181.534 215.890 227.881 1.00 0.00 0.171 C +ATOM 9804 N LYS B 473 180.650 216.178 226.764 1.00 0.00 -0.344 N +ATOM 9805 CB LYS B 473 182.560 217.009 228.063 1.00 0.00 0.035 C +ATOM 9806 CG LYS B 473 183.808 216.583 228.821 1.00 0.00 0.008 C +ATOM 9807 CD LYS B 473 184.795 217.733 228.986 1.00 0.00 0.061 C +ATOM 9808 CE LYS B 473 184.268 218.815 229.922 1.00 0.00 0.258 C +ATOM 9809 NZ LYS B 473 183.986 218.297 231.292 1.00 0.00 -0.357 N +ATOM 9810 HZ1 LYS B 473 183.681 218.954 231.809 1.00 0.00 0.345 HD +ATOM 9811 HZ2 LYS B 473 183.375 217.652 231.253 1.00 0.00 0.345 HD +ATOM 9812 HZ3 LYS B 473 184.731 217.968 231.651 1.00 0.00 0.345 HD +ATOM 9813 H LYS B 473 180.715 216.979 226.458 1.00 0.00 0.164 HD +ATOM 9814 C PRO B 474 180.578 215.628 232.182 1.00 0.00 0.243 C +ATOM 9815 O PRO B 474 181.725 216.070 232.215 1.00 0.00 -0.271 OA +ATOM 9816 CA PRO B 474 180.217 214.533 231.188 1.00 0.00 0.175 C +ATOM 9817 N PRO B 474 180.965 214.664 229.934 1.00 0.00 -0.329 N +ATOM 9818 CB PRO B 474 180.635 213.155 231.707 1.00 0.00 0.037 C +ATOM 9819 CG PRO B 474 181.943 212.887 231.067 1.00 0.00 0.024 C +ATOM 9820 CD PRO B 474 181.894 213.542 229.727 1.00 0.00 0.121 C +ATOM 9821 C TYR B 475 180.699 216.490 235.117 1.00 0.00 0.243 C +ATOM 9822 O TYR B 475 180.473 215.362 235.550 1.00 0.00 -0.272 OA +ATOM 9823 CA TYR B 475 179.856 217.075 233.991 1.00 0.00 0.175 C +ATOM 9824 N TYR B 475 179.607 216.063 232.975 1.00 0.00 -0.343 N +ATOM 9825 CB TYR B 475 178.537 217.628 234.537 1.00 0.00 0.070 C +ATOM 9826 CG TYR B 475 177.868 218.630 233.622 1.00 0.00 -0.045 A +ATOM 9827 CD1 TYR B 475 178.469 219.847 233.338 1.00 0.00 0.007 A +ATOM 9828 CD2 TYR B 475 176.632 218.365 233.050 1.00 0.00 0.007 A +ATOM 9829 CE1 TYR B 475 177.865 220.768 232.507 1.00 0.00 0.046 A +ATOM 9830 CE2 TYR B 475 176.019 219.284 232.217 1.00 0.00 0.046 A +ATOM 9831 CZ TYR B 475 176.641 220.483 231.950 1.00 0.00 0.115 A +ATOM 9832 OH TYR B 475 176.041 221.403 231.124 1.00 0.00 -0.507 OA +ATOM 9833 HH TYR B 475 175.303 221.107 230.852 1.00 0.00 0.294 HD +ATOM 9834 H TYR B 475 178.793 215.786 232.945 1.00 0.00 0.164 HD +ATOM 9835 C GLU B 476 182.163 217.172 238.016 1.00 0.00 0.242 C +ATOM 9836 O GLU B 476 182.569 216.534 238.985 1.00 0.00 -0.273 OA +ATOM 9837 CA GLU B 476 182.611 216.803 236.604 1.00 0.00 0.171 C +ATOM 9838 N GLU B 476 181.670 217.267 235.585 1.00 0.00 -0.344 N +ATOM 9839 CB GLU B 476 184.002 217.378 236.337 1.00 0.00 0.041 C +ATOM 9840 CG GLU B 476 184.636 216.882 235.047 1.00 0.00 0.055 C +ATOM 9841 CD GLU B 476 185.975 217.530 234.769 1.00 0.00 0.041 C +ATOM 9842 OE1 GLU B 476 186.791 217.638 235.709 1.00 0.00 -0.548 OA +ATOM 9843 OE2 GLU B 476 186.210 217.937 233.612 1.00 0.00 -0.549 OA +ATOM 9844 H GLU B 476 181.809 218.075 235.325 1.00 0.00 0.164 HD +ATOM 9845 C SER B 477 179.367 219.083 239.303 1.00 0.00 0.244 C +ATOM 9846 O SER B 477 178.875 219.322 238.202 1.00 0.00 -0.272 OA +ATOM 9847 CA SER B 477 180.817 218.635 239.425 1.00 0.00 0.197 C +ATOM 9848 N SER B 477 181.334 218.205 238.130 1.00 0.00 -0.342 N +ATOM 9849 CB SER B 477 181.667 219.772 239.993 1.00 0.00 0.191 C +ATOM 9850 OG SER B 477 181.502 220.958 239.235 1.00 0.00 -0.392 OA +ATOM 9851 HG SER B 477 181.975 221.573 239.558 1.00 0.00 0.210 HD +ATOM 9852 H SER B 477 181.054 218.676 237.467 1.00 0.00 0.164 HD +ATOM 9853 C PHE B 478 177.280 221.162 240.116 1.00 0.00 0.243 C +ATOM 9854 O PHE B 478 176.353 221.638 239.462 1.00 0.00 -0.272 OA +ATOM 9855 CA PHE B 478 177.314 219.682 240.471 1.00 0.00 0.175 C +ATOM 9856 N PHE B 478 178.685 219.186 240.440 1.00 0.00 -0.343 N +ATOM 9857 CB PHE B 478 176.688 219.471 241.849 1.00 0.00 0.070 C +ATOM 9858 CG PHE B 478 176.574 218.032 242.253 1.00 0.00 -0.045 A +ATOM 9859 CD1 PHE B 478 175.482 217.277 241.866 1.00 0.00 0.004 A +ATOM 9860 CD2 PHE B 478 177.551 217.438 243.032 1.00 0.00 0.004 A +ATOM 9861 CE1 PHE B 478 175.369 215.956 242.242 1.00 0.00 0.000 A +ATOM 9862 CE2 PHE B 478 177.443 216.116 243.411 1.00 0.00 0.000 A +ATOM 9863 CZ PHE B 478 176.350 215.375 243.015 1.00 0.00 0.000 A +ATOM 9864 H PHE B 478 178.997 218.974 241.212 1.00 0.00 0.164 HD +ATOM 9865 C GLU B 479 178.601 223.587 238.830 1.00 0.00 0.242 C +ATOM 9866 O GLU B 479 178.150 224.605 238.306 1.00 0.00 -0.273 OA +ATOM 9867 CA GLU B 479 178.395 223.313 240.317 1.00 0.00 0.171 C +ATOM 9868 N GLU B 479 178.298 221.884 240.565 1.00 0.00 -0.344 N +ATOM 9869 CB GLU B 479 179.537 223.909 241.138 1.00 0.00 0.041 C +ATOM 9870 CG GLU B 479 179.637 225.418 241.067 1.00 0.00 0.055 C +ATOM 9871 CD GLU B 479 180.783 225.960 241.896 1.00 0.00 0.041 C +ATOM 9872 OE1 GLU B 479 181.015 225.437 243.006 1.00 0.00 -0.548 OA +ATOM 9873 OE2 GLU B 479 181.455 226.906 241.434 1.00 0.00 -0.549 OA +ATOM 9874 H GLU B 479 178.954 221.564 241.020 1.00 0.00 0.164 HD +ATOM 9875 C GLU B 480 178.150 222.602 235.995 1.00 0.00 0.242 C +ATOM 9876 O GLU B 480 177.905 223.227 234.963 1.00 0.00 -0.273 OA +ATOM 9877 CA GLU B 480 179.483 222.773 236.716 1.00 0.00 0.171 C +ATOM 9878 N GLU B 480 179.286 222.672 238.155 1.00 0.00 -0.344 N +ATOM 9879 CB GLU B 480 180.485 221.723 236.236 1.00 0.00 0.041 C +ATOM 9880 CG GLU B 480 180.930 221.898 234.792 1.00 0.00 0.055 C +ATOM 9881 CD GLU B 480 181.763 220.734 234.291 1.00 0.00 0.041 C +ATOM 9882 OE1 GLU B 480 182.168 219.891 235.119 1.00 0.00 -0.548 OA +ATOM 9883 OE2 GLU B 480 182.010 220.660 233.069 1.00 0.00 -0.549 OA +ATOM 9884 H GLU B 480 179.649 221.978 238.510 1.00 0.00 0.164 HD +ATOM 9885 C LEU B 481 175.050 222.687 236.027 1.00 0.00 0.243 C +ATOM 9886 O LEU B 481 174.443 223.060 235.025 1.00 0.00 -0.272 OA +ATOM 9887 CA LEU B 481 175.988 221.480 235.958 1.00 0.00 0.172 C +ATOM 9888 N LEU B 481 177.290 221.757 236.552 1.00 0.00 -0.345 N +ATOM 9889 CB LEU B 481 175.338 220.278 236.648 1.00 0.00 0.038 C +ATOM 9890 CG LEU B 481 173.895 219.961 236.248 1.00 0.00 -0.015 C +ATOM 9891 CD1 LEU B 481 173.776 219.795 234.747 1.00 0.00 0.007 C +ATOM 9892 CD2 LEU B 481 173.403 218.711 236.961 1.00 0.00 0.007 C +ATOM 9893 H LEU B 481 177.439 221.326 237.282 1.00 0.00 0.165 HD +ATOM 9894 C THR B 482 174.588 225.757 237.160 1.00 0.00 0.245 C +ATOM 9895 O THR B 482 173.866 226.716 236.889 1.00 0.00 -0.273 OA +ATOM 9896 CA THR B 482 173.982 224.379 237.418 1.00 0.00 0.199 C +ATOM 9897 N THR B 482 174.937 223.294 237.205 1.00 0.00 -0.341 N +ATOM 9898 CB THR B 482 173.425 224.361 238.851 1.00 0.00 0.143 C +ATOM 9899 CG2 THR B 482 172.780 223.017 239.163 1.00 0.00 0.041 C +ATOM 9900 OG1 THR B 482 174.484 224.614 239.781 1.00 0.00 -0.389 OA +ATOM 9901 HG1 THR B 482 174.827 225.366 239.629 1.00 0.00 0.211 HD +ATOM 9902 H THR B 482 175.403 223.096 237.900 1.00 0.00 0.164 HD +ATOM 9903 C GLY B 483 176.191 228.053 238.240 1.00 0.00 0.239 C +ATOM 9904 O GLY B 483 175.984 229.249 238.043 1.00 0.00 -0.273 OA +ATOM 9905 CA GLY B 483 176.585 227.132 237.105 1.00 0.00 0.216 C +ATOM 9906 N GLY B 483 175.911 225.853 237.246 1.00 0.00 -0.346 N +ATOM 9907 H GLY B 483 176.439 225.190 237.387 1.00 0.00 0.164 HD +ATOM 9908 C GLU B 484 175.758 227.326 241.842 1.00 0.00 0.242 C +ATOM 9909 O GLU B 484 175.930 226.113 241.734 1.00 0.00 -0.273 OA +ATOM 9910 CA GLU B 484 175.575 228.195 240.594 1.00 0.00 0.171 C +ATOM 9911 N GLU B 484 176.094 227.482 239.435 1.00 0.00 -0.344 N +ATOM 9912 CB GLU B 484 174.108 228.575 240.342 1.00 0.00 0.041 C +ATOM 9913 CG GLU B 484 173.177 228.571 241.541 1.00 0.00 0.055 C +ATOM 9914 CD GLU B 484 172.583 227.210 241.810 1.00 0.00 0.041 C +ATOM 9915 OE1 GLU B 484 171.543 227.162 242.487 1.00 0.00 -0.548 OA +ATOM 9916 OE2 GLU B 484 173.139 226.191 241.344 1.00 0.00 -0.549 OA +ATOM 9917 H GLU B 484 176.325 226.671 239.602 1.00 0.00 0.164 HD +ATOM 9918 C LYS B 485 174.969 226.718 245.081 1.00 0.00 0.242 C +ATOM 9919 O LYS B 485 175.164 225.795 245.874 1.00 0.00 -0.273 OA +ATOM 9920 CA LYS B 485 176.129 227.287 244.258 1.00 0.00 0.171 C +ATOM 9921 N LYS B 485 175.733 227.950 243.017 1.00 0.00 -0.344 N +ATOM 9922 CB LYS B 485 176.920 228.271 245.126 1.00 0.00 0.035 C +ATOM 9923 CG LYS B 485 177.957 229.089 244.362 1.00 0.00 0.008 C +ATOM 9924 CD LYS B 485 179.071 228.218 243.794 1.00 0.00 0.061 C +ATOM 9925 CE LYS B 485 180.315 228.267 244.664 1.00 0.00 0.258 C +ATOM 9926 NZ LYS B 485 180.961 229.608 244.642 1.00 0.00 -0.357 N +ATOM 9927 HZ1 LYS B 485 181.685 229.605 245.160 1.00 0.00 0.345 HD +ATOM 9928 HZ2 LYS B 485 181.201 229.816 243.811 1.00 0.00 0.345 HD +ATOM 9929 HZ3 LYS B 485 180.393 230.224 244.942 1.00 0.00 0.345 HD +ATOM 9930 H LYS B 485 175.488 228.767 243.124 1.00 0.00 0.164 HD +ATOM 9931 C GLU B 486 172.015 225.570 245.436 1.00 0.00 0.242 C +ATOM 9932 O GLU B 486 171.999 224.666 246.272 1.00 0.00 -0.273 OA +ATOM 9933 CA GLU B 486 172.642 226.928 245.769 1.00 0.00 0.171 C +ATOM 9934 N GLU B 486 173.771 227.261 244.901 1.00 0.00 -0.344 N +ATOM 9935 CB GLU B 486 171.582 228.031 245.686 1.00 0.00 0.041 C +ATOM 9936 CG GLU B 486 170.425 227.874 246.662 1.00 0.00 0.055 C +ATOM 9937 CD GLU B 486 169.510 229.084 246.676 1.00 0.00 0.041 C +ATOM 9938 OE1 GLU B 486 168.503 229.060 247.413 1.00 0.00 -0.548 OA +ATOM 9939 OE2 GLU B 486 169.796 230.061 245.951 1.00 0.00 -0.549 OA +ATOM 9940 H GLU B 486 173.583 227.827 244.281 1.00 0.00 0.164 HD +ATOM 9941 C MET B 487 171.890 223.055 243.701 1.00 0.00 0.242 C +ATOM 9942 O MET B 487 171.575 221.912 244.037 1.00 0.00 -0.272 OA +ATOM 9943 CA MET B 487 170.878 224.192 243.771 1.00 0.00 0.172 C +ATOM 9944 N MET B 487 171.496 225.437 244.220 1.00 0.00 -0.344 N +ATOM 9945 CB MET B 487 170.222 224.382 242.400 1.00 0.00 0.046 C +ATOM 9946 CG MET B 487 169.009 225.301 242.410 1.00 0.00 0.072 C +ATOM 9947 SD MET B 487 168.134 225.322 240.838 1.00 0.00 -0.165 SA +ATOM 9948 CE MET B 487 169.366 226.045 239.758 1.00 0.00 0.085 C +ATOM 9949 H MET B 487 171.489 226.061 243.628 1.00 0.00 0.164 HD +ATOM 9950 C SER B 488 174.435 221.732 244.517 1.00 0.00 0.244 C +ATOM 9951 O SER B 488 174.827 220.569 244.593 1.00 0.00 -0.272 OA +ATOM 9952 CA SER B 488 174.167 222.379 243.163 1.00 0.00 0.197 C +ATOM 9953 N SER B 488 173.103 223.371 243.257 1.00 0.00 -0.342 N +ATOM 9954 CB SER B 488 175.450 223.016 242.632 1.00 0.00 0.191 C +ATOM 9955 OG SER B 488 175.945 223.988 243.535 1.00 0.00 -0.392 OA +ATOM 9956 HG SER B 488 176.649 224.330 243.232 1.00 0.00 0.210 HD +ATOM 9957 H SER B 488 173.336 224.159 243.001 1.00 0.00 0.164 HD +ATOM 9958 C ALA B 489 173.303 221.045 247.327 1.00 0.00 0.243 C +ATOM 9959 O ALA B 489 173.541 220.021 247.964 1.00 0.00 -0.272 OA +ATOM 9960 CA ALA B 489 174.426 221.995 246.934 1.00 0.00 0.168 C +ATOM 9961 N ALA B 489 174.220 222.495 245.583 1.00 0.00 -0.344 N +ATOM 9962 CB ALA B 489 174.517 223.145 247.915 1.00 0.00 0.041 C +ATOM 9963 H ALA B 489 173.953 223.312 245.548 1.00 0.00 0.164 HD +ATOM 9964 C GLU B 490 171.150 219.219 246.370 1.00 0.00 0.242 C +ATOM 9965 O GLU B 490 170.856 218.125 246.849 1.00 0.00 -0.273 OA +ATOM 9966 CA GLU B 490 170.945 220.501 247.167 1.00 0.00 0.171 C +ATOM 9967 N GLU B 490 172.076 221.391 246.951 1.00 0.00 -0.344 N +ATOM 9968 CB GLU B 490 169.631 221.172 246.760 1.00 0.00 0.041 C +ATOM 9969 CG GLU B 490 169.270 222.408 247.568 1.00 0.00 0.055 C +ATOM 9970 CD GLU B 490 168.930 222.096 249.011 1.00 0.00 0.041 C +ATOM 9971 OE1 GLU B 490 168.865 220.902 249.369 1.00 0.00 -0.548 OA +ATOM 9972 OE2 GLU B 490 168.724 223.050 249.791 1.00 0.00 -0.549 OA +ATOM 9973 H GLU B 490 171.873 222.134 246.569 1.00 0.00 0.164 HD +ATOM 9974 C LEU B 491 172.963 217.291 244.959 1.00 0.00 0.243 C +ATOM 9975 O LEU B 491 172.784 216.074 244.967 1.00 0.00 -0.272 OA +ATOM 9976 CA LEU B 491 171.952 218.220 244.301 1.00 0.00 0.172 C +ATOM 9977 N LEU B 491 171.660 219.366 245.151 1.00 0.00 -0.345 N +ATOM 9978 CB LEU B 491 172.484 218.677 242.942 1.00 0.00 0.038 C +ATOM 9979 CG LEU B 491 171.481 219.063 241.854 1.00 0.00 -0.015 C +ATOM 9980 CD1 LEU B 491 172.228 219.566 240.629 1.00 0.00 0.007 C +ATOM 9981 CD2 LEU B 491 170.596 217.883 241.484 1.00 0.00 0.007 C +ATOM 9982 H LEU B 491 171.846 220.125 244.792 1.00 0.00 0.165 HD +ATOM 9983 C GLU B 492 174.548 216.387 247.393 1.00 0.00 0.242 C +ATOM 9984 O GLU B 492 174.916 215.251 247.685 1.00 0.00 -0.273 OA +ATOM 9985 CA GLU B 492 175.074 217.076 246.141 1.00 0.00 0.171 C +ATOM 9986 N GLU B 492 174.028 217.868 245.505 1.00 0.00 -0.344 N +ATOM 9987 CB GLU B 492 176.279 217.949 246.493 1.00 0.00 0.041 C +ATOM 9988 CG GLU B 492 177.426 217.170 247.119 1.00 0.00 0.055 C +ATOM 9989 CD GLU B 492 178.767 217.850 246.938 1.00 0.00 0.041 C +ATOM 9990 OE1 GLU B 492 178.931 218.987 247.424 1.00 0.00 -0.548 OA +ATOM 9991 OE2 GLU B 492 179.656 217.246 246.304 1.00 0.00 -0.549 OA +ATOM 9992 H GLU B 492 174.168 218.717 245.521 1.00 0.00 0.164 HD +ATOM 9993 C ALA B 493 172.153 215.390 249.035 1.00 0.00 0.243 C +ATOM 9994 O ALA B 493 171.966 214.480 249.842 1.00 0.00 -0.272 OA +ATOM 9995 CA ALA B 493 173.115 216.528 249.353 1.00 0.00 0.168 C +ATOM 9996 N ALA B 493 173.683 217.078 248.128 1.00 0.00 -0.344 N +ATOM 9997 CB ALA B 493 172.407 217.614 250.145 1.00 0.00 0.041 C +ATOM 9998 H ALA B 493 173.409 217.871 247.939 1.00 0.00 0.164 HD +ATOM 9999 C LEU B 494 171.293 213.250 246.755 1.00 0.00 0.243 C +ATOM 10000 O LEU B 494 170.960 212.097 247.016 1.00 0.00 -0.272 OA +ATOM 10001 CA LEU B 494 170.596 214.429 247.432 1.00 0.00 0.172 C +ATOM 10002 N LEU B 494 171.546 215.449 247.855 1.00 0.00 -0.345 N +ATOM 10003 CB LEU B 494 169.555 215.037 246.489 1.00 0.00 0.038 C +ATOM 10004 CG LEU B 494 168.563 216.006 247.140 1.00 0.00 -0.015 C +ATOM 10005 CD1 LEU B 494 167.786 216.776 246.082 1.00 0.00 0.007 C +ATOM 10006 CD2 LEU B 494 167.609 215.264 248.062 1.00 0.00 0.007 C +ATOM 10007 H LEU B 494 171.669 216.074 247.277 1.00 0.00 0.165 HD +ATOM 10008 C TYR B 495 174.294 212.092 245.524 1.00 0.00 0.243 C +ATOM 10009 O TYR B 495 174.661 210.923 245.404 1.00 0.00 -0.272 OA +ATOM 10010 CA TYR B 495 172.895 212.510 245.072 1.00 0.00 0.175 C +ATOM 10011 N TYR B 495 172.275 213.539 245.905 1.00 0.00 -0.343 N +ATOM 10012 CB TYR B 495 172.955 212.992 243.627 1.00 0.00 0.070 C +ATOM 10013 CG TYR B 495 171.632 212.899 242.908 1.00 0.00 -0.045 A +ATOM 10014 CD1 TYR B 495 171.093 211.666 242.572 1.00 0.00 0.007 A +ATOM 10015 CD2 TYR B 495 170.923 214.040 242.556 1.00 0.00 0.007 A +ATOM 10016 CE1 TYR B 495 169.886 211.571 241.910 1.00 0.00 0.046 A +ATOM 10017 CE2 TYR B 495 169.715 213.952 241.892 1.00 0.00 0.046 A +ATOM 10018 CZ TYR B 495 169.203 212.715 241.573 1.00 0.00 0.115 A +ATOM 10019 OH TYR B 495 168.003 212.619 240.913 1.00 0.00 -0.507 OA +ATOM 10020 HH TYR B 495 167.811 211.812 240.783 1.00 0.00 0.294 HD +ATOM 10021 H TYR B 495 172.602 214.326 245.792 1.00 0.00 0.164 HD +ATOM 10022 C GLY B 496 177.439 212.725 245.346 1.00 0.00 0.239 C +ATOM 10023 O GLY B 496 178.470 213.393 245.417 1.00 0.00 -0.273 OA +ATOM 10024 CA GLY B 496 176.426 212.751 246.478 1.00 0.00 0.216 C +ATOM 10025 N GLY B 496 175.076 213.042 246.026 1.00 0.00 -0.346 N +ATOM 10026 H GLY B 496 174.846 213.866 246.115 1.00 0.00 0.164 HD +ATOM 10027 C ASP B 497 177.361 212.413 241.911 1.00 0.00 0.242 C +ATOM 10028 O ASP B 497 176.190 212.151 241.639 1.00 0.00 -0.273 OA +ATOM 10029 CA ASP B 497 178.026 211.817 243.147 1.00 0.00 0.176 C +ATOM 10030 N ASP B 497 177.145 211.949 244.306 1.00 0.00 -0.343 N +ATOM 10031 CB ASP B 497 178.374 210.345 242.909 1.00 0.00 0.087 C +ATOM 10032 CG ASP B 497 179.458 210.157 241.862 1.00 0.00 0.044 C +ATOM 10033 OD1 ASP B 497 179.809 211.132 241.165 1.00 0.00 -0.548 OA +ATOM 10034 OD2 ASP B 497 179.958 209.020 241.731 1.00 0.00 -0.549 OA +ATOM 10035 H ASP B 497 176.426 211.480 244.247 1.00 0.00 0.164 HD +ATOM 10036 C ILE B 498 177.131 212.858 238.938 1.00 0.00 0.243 C +ATOM 10037 O ILE B 498 176.232 213.135 238.147 1.00 0.00 -0.272 OA +ATOM 10038 CA ILE B 498 177.597 213.878 239.976 1.00 0.00 0.174 C +ATOM 10039 N ILE B 498 178.117 213.215 241.168 1.00 0.00 -0.343 N +ATOM 10040 CB ILE B 498 178.661 214.816 239.338 1.00 0.00 0.018 C +ATOM 10041 CG2 ILE B 498 179.924 214.041 238.983 1.00 0.00 0.010 C +ATOM 10042 CG1 ILE B 498 178.112 215.516 238.089 1.00 0.00 0.002 C +ATOM 10043 CD1 ILE B 498 176.868 216.349 238.334 1.00 0.00 0.004 C +ATOM 10044 H ILE B 498 178.942 213.394 241.334 1.00 0.00 0.164 HD +ATOM 10045 C ASP B 499 176.156 209.844 238.439 1.00 0.00 0.242 C +ATOM 10046 O ASP B 499 175.757 208.889 237.774 1.00 0.00 -0.273 OA +ATOM 10047 CA ASP B 499 177.394 210.626 238.002 1.00 0.00 0.176 C +ATOM 10048 N ASP B 499 177.740 211.677 238.953 1.00 0.00 -0.343 N +ATOM 10049 CB ASP B 499 178.575 209.672 237.813 1.00 0.00 0.087 C +ATOM 10050 CG ASP B 499 179.690 210.281 236.988 1.00 0.00 0.044 C +ATOM 10051 OD1 ASP B 499 179.494 210.467 235.766 1.00 0.00 -0.548 OA +ATOM 10052 OD2 ASP B 499 180.766 210.568 237.555 1.00 0.00 -0.549 OA +ATOM 10053 H ASP B 499 178.360 211.458 239.507 1.00 0.00 0.164 HD +ATOM 10054 C ALA B 500 173.103 210.458 239.791 1.00 0.00 0.243 C +ATOM 10055 O ALA B 500 171.980 210.029 240.050 1.00 0.00 -0.272 OA +ATOM 10056 CA ALA B 500 174.341 209.606 240.056 1.00 0.00 0.168 C +ATOM 10057 N ALA B 500 175.552 210.251 239.552 1.00 0.00 -0.344 N +ATOM 10058 CB ALA B 500 174.474 209.324 241.538 1.00 0.00 0.041 C +ATOM 10059 H ALA B 500 175.826 210.905 240.038 1.00 0.00 0.164 HD +ATOM 10060 C VAL B 501 171.386 212.008 237.796 1.00 0.00 0.243 C +ATOM 10061 O VAL B 501 171.938 211.560 236.792 1.00 0.00 -0.272 OA +ATOM 10062 CA VAL B 501 172.206 212.562 238.960 1.00 0.00 0.173 C +ATOM 10063 N VAL B 501 173.312 211.665 239.276 1.00 0.00 -0.343 N +ATOM 10064 CB VAL B 501 172.711 213.974 238.608 1.00 0.00 0.015 C +ATOM 10065 CG1 VAL B 501 171.544 214.901 238.319 1.00 0.00 0.010 C +ATOM 10066 CG2 VAL B 501 173.555 214.532 239.742 1.00 0.00 0.010 C +ATOM 10067 H VAL B 501 174.088 211.990 239.099 1.00 0.00 0.164 HD +ATOM 10068 C GLU B 502 168.886 212.421 235.793 1.00 0.00 0.242 C +ATOM 10069 O GLU B 502 169.080 213.632 235.902 1.00 0.00 -0.273 OA +ATOM 10070 CA GLU B 502 169.158 211.474 236.955 1.00 0.00 0.171 C +ATOM 10071 N GLU B 502 170.065 212.055 237.939 1.00 0.00 -0.344 N +ATOM 10072 CB GLU B 502 167.839 211.082 237.618 1.00 0.00 0.041 C +ATOM 10073 CG GLU B 502 167.975 209.996 238.669 1.00 0.00 0.055 C +ATOM 10074 CD GLU B 502 166.718 209.833 239.493 1.00 0.00 0.041 C +ATOM 10075 OE1 GLU B 502 165.836 209.049 239.090 1.00 0.00 -0.548 OA +ATOM 10076 OE2 GLU B 502 166.614 210.494 240.547 1.00 0.00 -0.549 OA +ATOM 10077 H GLU B 502 169.665 212.423 238.606 1.00 0.00 0.164 HD +ATOM 10078 C LEU B 503 167.278 213.750 233.524 1.00 0.00 0.243 C +ATOM 10079 O LEU B 503 167.650 214.881 233.210 1.00 0.00 -0.272 OA +ATOM 10080 CA LEU B 503 168.241 212.566 233.436 1.00 0.00 0.172 C +ATOM 10081 N LEU B 503 168.415 211.847 234.693 1.00 0.00 -0.345 N +ATOM 10082 CB LEU B 503 167.755 211.591 232.360 1.00 0.00 0.038 C +ATOM 10083 CG LEU B 503 167.428 212.163 230.980 1.00 0.00 -0.015 C +ATOM 10084 CD1 LEU B 503 168.591 212.970 230.433 1.00 0.00 0.007 C +ATOM 10085 CD2 LEU B 503 167.067 211.036 230.029 1.00 0.00 0.007 C +ATOM 10086 H LEU B 503 168.182 211.020 234.648 1.00 0.00 0.165 HD +ATOM 10087 C TYR B 504 165.244 215.686 234.835 1.00 0.00 0.243 C +ATOM 10088 O TYR B 504 165.101 216.841 234.438 1.00 0.00 -0.272 OA +ATOM 10089 CA TYR B 504 164.998 214.515 233.882 1.00 0.00 0.175 C +ATOM 10090 N TYR B 504 166.042 213.493 233.942 1.00 0.00 -0.343 N +ATOM 10091 CB TYR B 504 163.626 213.899 234.164 1.00 0.00 0.070 C +ATOM 10092 CG TYR B 504 162.523 214.923 234.283 1.00 0.00 -0.045 A +ATOM 10093 CD1 TYR B 504 161.931 215.196 235.507 1.00 0.00 0.007 A +ATOM 10094 CD2 TYR B 504 162.082 215.625 233.172 1.00 0.00 0.007 A +ATOM 10095 CE1 TYR B 504 160.924 216.134 235.621 1.00 0.00 0.046 A +ATOM 10096 CE2 TYR B 504 161.076 216.566 233.274 1.00 0.00 0.046 A +ATOM 10097 CZ TYR B 504 160.501 216.816 234.500 1.00 0.00 0.115 A +ATOM 10098 OH TYR B 504 159.498 217.752 234.608 1.00 0.00 -0.507 OA +ATOM 10099 HH TYR B 504 159.338 218.090 233.856 1.00 0.00 0.294 HD +ATOM 10100 H TYR B 504 165.782 212.739 234.264 1.00 0.00 0.164 HD +ATOM 10101 C PRO B 505 167.064 217.380 236.533 1.00 0.00 0.243 C +ATOM 10102 O PRO B 505 167.038 218.603 236.652 1.00 0.00 -0.271 OA +ATOM 10103 CA PRO B 505 165.885 216.533 236.995 1.00 0.00 0.175 C +ATOM 10104 N PRO B 505 165.608 215.405 236.098 1.00 0.00 -0.329 N +ATOM 10105 CB PRO B 505 166.202 215.849 238.330 1.00 0.00 0.037 C +ATOM 10106 CG PRO B 505 165.558 214.518 238.239 1.00 0.00 0.024 C +ATOM 10107 CD PRO B 505 165.675 214.117 236.808 1.00 0.00 0.121 C +ATOM 10108 C ALA B 506 168.982 218.360 234.406 1.00 0.00 0.243 C +ATOM 10109 O ALA B 506 169.521 219.462 234.340 1.00 0.00 -0.272 OA +ATOM 10110 CA ALA B 506 169.290 217.416 235.563 1.00 0.00 0.168 C +ATOM 10111 N ALA B 506 168.090 216.725 236.004 1.00 0.00 -0.344 N +ATOM 10112 CB ALA B 506 170.346 216.417 235.158 1.00 0.00 0.041 C +ATOM 10113 H ALA B 506 168.114 215.872 235.890 1.00 0.00 0.164 HD +ATOM 10114 C LEU B 507 167.134 220.061 232.731 1.00 0.00 0.243 C +ATOM 10115 O LEU B 507 167.381 221.077 232.086 1.00 0.00 -0.272 OA +ATOM 10116 CA LEU B 507 167.747 218.725 232.335 1.00 0.00 0.172 C +ATOM 10117 N LEU B 507 168.110 217.925 233.501 1.00 0.00 -0.345 N +ATOM 10118 CB LEU B 507 166.767 217.962 231.444 1.00 0.00 0.038 C +ATOM 10119 CG LEU B 507 167.338 216.843 230.571 1.00 0.00 -0.015 C +ATOM 10120 CD1 LEU B 507 166.214 215.968 230.048 1.00 0.00 0.007 C +ATOM 10121 CD2 LEU B 507 168.141 217.414 229.421 1.00 0.00 0.007 C +ATOM 10122 H LEU B 507 167.712 217.164 233.540 1.00 0.00 0.165 HD +ATOM 10123 C LEU B 508 166.402 222.212 235.049 1.00 0.00 0.243 C +ATOM 10124 O LEU B 508 166.110 223.407 235.074 1.00 0.00 -0.272 OA +ATOM 10125 CA LEU B 508 165.591 221.248 234.185 1.00 0.00 0.172 C +ATOM 10126 N LEU B 508 166.337 220.056 233.794 1.00 0.00 -0.345 N +ATOM 10127 CB LEU B 508 164.313 220.847 234.921 1.00 0.00 0.038 C +ATOM 10128 CG LEU B 508 163.279 220.018 234.150 1.00 0.00 -0.015 C +ATOM 10129 CD1 LEU B 508 161.919 220.148 234.816 1.00 0.00 0.007 C +ATOM 10130 CD2 LEU B 508 163.190 220.412 232.683 1.00 0.00 0.007 C +ATOM 10131 H LEU B 508 166.210 219.376 234.305 1.00 0.00 0.165 HD +ATOM 10132 C VAL B 509 169.570 222.910 235.910 1.00 0.00 0.243 C +ATOM 10133 O VAL B 509 170.343 223.718 236.426 1.00 0.00 -0.272 OA +ATOM 10134 CA VAL B 509 168.253 222.564 236.593 1.00 0.00 0.173 C +ATOM 10135 N VAL B 509 167.416 221.708 235.751 1.00 0.00 -0.343 N +ATOM 10136 CB VAL B 509 168.566 221.917 237.965 1.00 0.00 0.015 C +ATOM 10137 CG1 VAL B 509 167.282 221.490 238.657 1.00 0.00 0.010 C +ATOM 10138 CG2 VAL B 509 169.523 220.736 237.815 1.00 0.00 0.010 C +ATOM 10139 H VAL B 509 167.639 220.878 235.758 1.00 0.00 0.164 HD +ATOM 10140 C GLU B 510 171.145 224.067 233.682 1.00 0.00 0.242 C +ATOM 10141 O GLU B 510 170.134 224.729 233.450 1.00 0.00 -0.273 OA +ATOM 10142 CA GLU B 510 171.050 222.582 234.010 1.00 0.00 0.171 C +ATOM 10143 N GLU B 510 169.830 222.297 234.759 1.00 0.00 -0.344 N +ATOM 10144 CB GLU B 510 171.103 221.759 232.722 1.00 0.00 0.041 C +ATOM 10145 CG GLU B 510 172.370 221.975 231.899 1.00 0.00 0.055 C +ATOM 10146 CD GLU B 510 172.421 221.108 230.654 1.00 0.00 0.041 C +ATOM 10147 OE1 GLU B 510 171.393 220.998 229.955 1.00 0.00 -0.548 OA +ATOM 10148 OE2 GLU B 510 173.493 220.536 230.377 1.00 0.00 -0.549 OA +ATOM 10149 H GLU B 510 169.317 221.713 234.391 1.00 0.00 0.164 HD +ATOM 10150 C LYS B 511 172.096 226.260 231.918 1.00 0.00 0.242 C +ATOM 10151 O LYS B 511 172.519 225.608 230.963 1.00 0.00 -0.273 OA +ATOM 10152 CA LYS B 511 172.607 225.974 233.330 1.00 0.00 0.171 C +ATOM 10153 N LYS B 511 172.366 224.584 233.681 1.00 0.00 -0.344 N +ATOM 10154 CB LYS B 511 174.095 226.290 233.420 1.00 0.00 0.035 C +ATOM 10155 CG LYS B 511 174.440 227.760 233.233 1.00 0.00 0.008 C +ATOM 10156 CD LYS B 511 175.825 227.919 232.630 1.00 0.00 0.061 C +ATOM 10157 CE LYS B 511 176.908 227.244 233.471 1.00 0.00 0.258 C +ATOM 10158 NZ LYS B 511 178.120 226.949 232.667 1.00 0.00 -0.357 N +ATOM 10159 HZ1 LYS B 511 178.734 226.557 233.177 1.00 0.00 0.345 HD +ATOM 10160 HZ2 LYS B 511 177.913 226.404 231.994 1.00 0.00 0.345 HD +ATOM 10161 HZ3 LYS B 511 178.456 227.703 232.336 1.00 0.00 0.345 HD +ATOM 10162 H LYS B 511 173.078 224.145 233.882 1.00 0.00 0.164 HD +ATOM 10163 C PRO B 512 171.818 228.152 229.556 1.00 0.00 0.243 C +ATOM 10164 O PRO B 512 172.777 228.713 230.083 1.00 0.00 -0.271 OA +ATOM 10165 CA PRO B 512 170.717 227.555 230.422 1.00 0.00 0.175 C +ATOM 10166 N PRO B 512 171.182 227.232 231.774 1.00 0.00 -0.329 N +ATOM 10167 CB PRO B 512 169.608 228.589 230.665 1.00 0.00 0.037 C +ATOM 10168 CG PRO B 512 169.248 228.458 232.100 1.00 0.00 0.024 C +ATOM 10169 CD PRO B 512 170.484 228.024 232.798 1.00 0.00 0.121 C +ATOM 10170 C ARG B 513 172.247 230.286 227.626 1.00 0.00 0.242 C +ATOM 10171 O ARG B 513 171.207 230.629 228.189 1.00 0.00 -0.273 OA +ATOM 10172 CA ARG B 513 172.502 228.809 227.330 1.00 0.00 0.171 C +ATOM 10173 N ARG B 513 171.682 228.028 228.241 1.00 0.00 -0.344 N +ATOM 10174 CB ARG B 513 172.174 228.482 225.871 1.00 0.00 0.038 C +ATOM 10175 CG ARG B 513 173.244 227.693 225.134 1.00 0.00 0.040 C +ATOM 10176 CD ARG B 513 173.410 226.299 225.699 1.00 0.00 0.197 C +ATOM 10177 NE ARG B 513 174.295 225.478 224.876 1.00 0.00 -0.278 N +ATOM 10178 HE ARG B 513 175.114 225.396 225.127 1.00 0.00 0.260 HD +ATOM 10179 CZ ARG B 513 173.921 224.850 223.765 1.00 0.00 0.339 C +ATOM 10180 NH1 ARG B 513 174.799 224.122 223.086 1.00 0.00 -0.290 N +ATOM 10181 NH2 ARG B 513 172.673 224.946 223.326 1.00 0.00 -0.290 N +ATOM 10182 HH12 ARG B 513 175.610 224.057 223.365 1.00 0.00 0.256 HD +ATOM 10183 HH11 ARG B 513 174.558 223.718 222.367 1.00 0.00 0.256 HD +ATOM 10184 HH22 ARG B 513 172.099 225.415 223.762 1.00 0.00 0.256 HD +ATOM 10185 HH21 ARG B 513 172.438 224.538 222.607 1.00 0.00 0.256 HD +ATOM 10186 H ARG B 513 171.124 227.500 227.854 1.00 0.00 0.164 HD +ATOM 10187 C PRO B 514 171.683 233.144 226.998 1.00 0.00 0.243 C +ATOM 10188 O PRO B 514 171.431 233.130 225.793 1.00 0.00 -0.271 OA +ATOM 10189 CA PRO B 514 173.018 232.601 227.510 1.00 0.00 0.175 C +ATOM 10190 N PRO B 514 173.193 231.165 227.256 1.00 0.00 -0.329 N +ATOM 10191 CB PRO B 514 174.193 233.231 226.756 1.00 0.00 0.037 C +ATOM 10192 CG PRO B 514 175.233 232.173 226.737 1.00 0.00 0.024 C +ATOM 10193 CD PRO B 514 174.493 230.872 226.629 1.00 0.00 0.121 C +ATOM 10194 C ASP B 515 168.707 233.184 226.737 1.00 0.00 0.242 C +ATOM 10195 O ASP B 515 167.949 233.601 225.861 1.00 0.00 -0.273 OA +ATOM 10196 CA ASP B 515 169.527 234.149 227.593 1.00 0.00 0.176 C +ATOM 10197 N ASP B 515 170.841 233.599 227.923 1.00 0.00 -0.343 N +ATOM 10198 CB ASP B 515 169.682 235.492 226.879 1.00 0.00 0.087 C +ATOM 10199 CG ASP B 515 170.181 236.584 227.802 1.00 0.00 0.044 C +ATOM 10200 OD1 ASP B 515 169.578 236.769 228.879 1.00 0.00 -0.548 OA +ATOM 10201 OD2 ASP B 515 171.180 237.249 227.454 1.00 0.00 -0.549 OA +ATOM 10202 H ASP B 515 171.012 233.601 228.766 1.00 0.00 0.164 HD +ATOM 10203 C ALA B 516 167.151 230.125 227.142 1.00 0.00 0.243 C +ATOM 10204 O ALA B 516 167.197 230.207 228.371 1.00 0.00 -0.272 OA +ATOM 10205 CA ALA B 516 168.163 230.851 226.264 1.00 0.00 0.168 C +ATOM 10206 N ALA B 516 168.861 231.892 227.009 1.00 0.00 -0.344 N +ATOM 10207 CB ALA B 516 169.156 229.862 225.683 1.00 0.00 0.041 C +ATOM 10208 H ALA B 516 169.374 231.588 227.629 1.00 0.00 0.164 HD +ATOM 10209 C ILE B 517 165.761 227.344 227.722 1.00 0.00 0.243 C +ATOM 10210 O ILE B 517 165.277 226.819 228.721 1.00 0.00 -0.272 OA +ATOM 10211 CA ILE B 517 165.202 228.666 227.193 1.00 0.00 0.174 C +ATOM 10212 N ILE B 517 166.236 229.413 226.495 1.00 0.00 -0.343 N +ATOM 10213 CB ILE B 517 163.988 228.404 226.265 1.00 0.00 0.018 C +ATOM 10214 CG2 ILE B 517 164.346 227.411 225.165 1.00 0.00 0.010 C +ATOM 10215 CG1 ILE B 517 162.789 227.911 227.075 1.00 0.00 0.002 C +ATOM 10216 CD1 ILE B 517 161.497 227.862 226.283 1.00 0.00 0.004 C +ATOM 10217 H ILE B 517 166.193 229.348 225.638 1.00 0.00 0.164 HD +ATOM 10218 C PHE B 518 168.850 225.566 227.720 1.00 0.00 0.243 C +ATOM 10219 O PHE B 518 169.559 226.500 227.348 1.00 0.00 -0.272 OA +ATOM 10220 CA PHE B 518 167.366 225.520 227.396 1.00 0.00 0.175 C +ATOM 10221 N PHE B 518 166.789 226.823 227.056 1.00 0.00 -0.343 N +ATOM 10222 CB PHE B 518 167.177 224.532 226.243 1.00 0.00 0.070 C +ATOM 10223 CG PHE B 518 165.751 224.191 225.954 1.00 0.00 -0.045 A +ATOM 10224 CD1 PHE B 518 164.819 224.096 226.968 1.00 0.00 0.004 A +ATOM 10225 CD2 PHE B 518 165.344 223.964 224.655 1.00 0.00 0.004 A +ATOM 10226 CE1 PHE B 518 163.509 223.778 226.686 1.00 0.00 0.000 A +ATOM 10227 CE2 PHE B 518 164.040 223.643 224.377 1.00 0.00 0.000 A +ATOM 10228 CZ PHE B 518 163.121 223.556 225.389 1.00 0.00 0.000 A +ATOM 10229 H PHE B 518 167.177 227.210 226.393 1.00 0.00 0.164 HD +ATOM 10230 C GLY B 519 171.218 223.374 227.428 1.00 0.00 0.239 C +ATOM 10231 O GLY B 519 170.431 222.916 226.599 1.00 0.00 -0.273 OA +ATOM 10232 CA GLY B 519 170.724 224.259 228.560 1.00 0.00 0.216 C +ATOM 10233 N GLY B 519 169.307 224.524 228.407 1.00 0.00 -0.346 N +ATOM 10234 H GLY B 519 168.803 223.948 228.799 1.00 0.00 0.164 HD +ATOM 10235 C GLU B 520 172.563 220.989 226.078 1.00 0.00 0.242 C +ATOM 10236 O GLU B 520 172.365 220.601 224.927 1.00 0.00 -0.273 OA +ATOM 10237 CA GLU B 520 173.169 222.373 226.336 1.00 0.00 0.171 C +ATOM 10238 N GLU B 520 172.521 223.125 227.406 1.00 0.00 -0.344 N +ATOM 10239 CB GLU B 520 174.655 222.219 226.662 1.00 0.00 0.041 C +ATOM 10240 CG GLU B 520 175.472 221.455 225.623 1.00 0.00 0.055 C +ATOM 10241 CD GLU B 520 176.885 221.153 226.093 1.00 0.00 0.041 C +ATOM 10242 OE1 GLU B 520 177.117 221.123 227.321 1.00 0.00 -0.548 OA +ATOM 10243 OE2 GLU B 520 177.765 220.945 225.232 1.00 0.00 -0.549 OA +ATOM 10244 H GLU B 520 173.067 223.389 228.016 1.00 0.00 0.164 HD +ATOM 10245 C THR B 521 170.519 218.660 226.388 1.00 0.00 0.245 C +ATOM 10246 O THR B 521 170.307 217.733 225.609 1.00 0.00 -0.273 OA +ATOM 10247 CA THR B 521 171.903 218.842 227.004 1.00 0.00 0.199 C +ATOM 10248 N THR B 521 172.280 220.247 227.142 1.00 0.00 -0.341 N +ATOM 10249 CB THR B 521 171.935 218.113 228.361 1.00 0.00 0.143 C +ATOM 10250 CG2 THR B 521 171.713 216.619 228.172 1.00 0.00 0.041 C +ATOM 10251 OG1 THR B 521 173.205 218.320 228.991 1.00 0.00 -0.389 OA +ATOM 10252 HG1 THR B 521 173.333 219.141 229.117 1.00 0.00 0.211 HD +ATOM 10253 H THR B 521 172.298 220.530 227.954 1.00 0.00 0.164 HD +ATOM 10254 C MET B 522 168.268 219.520 224.661 1.00 0.00 0.242 C +ATOM 10255 O MET B 522 167.590 218.759 223.973 1.00 0.00 -0.272 OA +ATOM 10256 CA MET B 522 168.228 219.447 226.183 1.00 0.00 0.172 C +ATOM 10257 N MET B 522 169.576 219.530 226.737 1.00 0.00 -0.344 N +ATOM 10258 CB MET B 522 167.343 220.567 226.733 1.00 0.00 0.046 C +ATOM 10259 CG MET B 522 165.898 220.526 226.236 1.00 0.00 0.072 C +ATOM 10260 SD MET B 522 164.896 219.279 227.068 1.00 0.00 -0.165 SA +ATOM 10261 CE MET B 522 164.693 220.041 228.674 1.00 0.00 0.085 C +ATOM 10262 H MET B 522 169.691 220.177 227.293 1.00 0.00 0.164 HD +ATOM 10263 C VAL B 523 169.855 219.530 221.986 1.00 0.00 0.243 C +ATOM 10264 O VAL B 523 169.341 219.018 220.993 1.00 0.00 -0.272 OA +ATOM 10265 CA VAL B 523 169.164 220.679 222.714 1.00 0.00 0.173 C +ATOM 10266 N VAL B 523 169.076 220.439 224.147 1.00 0.00 -0.343 N +ATOM 10267 CB VAL B 523 169.924 221.991 222.419 1.00 0.00 0.015 C +ATOM 10268 CG1 VAL B 523 169.990 222.255 220.922 1.00 0.00 0.010 C +ATOM 10269 CG2 VAL B 523 169.265 223.158 223.133 1.00 0.00 0.010 C +ATOM 10270 H VAL B 523 169.591 220.944 224.615 1.00 0.00 0.164 HD +ATOM 10271 C GLU B 524 171.249 216.752 221.839 1.00 0.00 0.242 C +ATOM 10272 O GLU B 524 171.513 215.929 220.964 1.00 0.00 -0.273 OA +ATOM 10273 CA GLU B 524 171.851 218.154 221.786 1.00 0.00 0.171 C +ATOM 10274 N GLU B 524 171.025 219.136 222.478 1.00 0.00 -0.344 N +ATOM 10275 CB GLU B 524 173.261 218.146 222.376 1.00 0.00 0.041 C +ATOM 10276 CG GLU B 524 174.028 219.443 222.143 1.00 0.00 0.055 C +ATOM 10277 CD GLU B 524 174.198 219.760 220.670 1.00 0.00 0.041 C +ATOM 10278 OE1 GLU B 524 174.582 218.848 219.907 1.00 0.00 -0.548 OA +ATOM 10279 OE2 GLU B 524 173.934 220.915 220.273 1.00 0.00 -0.549 OA +ATOM 10280 H GLU B 524 171.364 219.423 223.214 1.00 0.00 0.164 HD +ATOM 10281 C VAL B 525 168.428 215.228 222.248 1.00 0.00 0.243 C +ATOM 10282 O VAL B 525 168.047 214.254 221.600 1.00 0.00 -0.272 OA +ATOM 10283 CA VAL B 525 169.761 215.203 222.991 1.00 0.00 0.173 C +ATOM 10284 N VAL B 525 170.443 216.487 222.860 1.00 0.00 -0.343 N +ATOM 10285 CB VAL B 525 169.517 214.838 224.473 1.00 0.00 0.015 C +ATOM 10286 CG1 VAL B 525 168.702 213.554 224.592 1.00 0.00 0.010 C +ATOM 10287 CG2 VAL B 525 170.842 214.691 225.207 1.00 0.00 0.010 C +ATOM 10288 H VAL B 525 170.271 217.039 223.496 1.00 0.00 0.164 HD +ATOM 10289 C GLY B 526 166.381 216.624 220.253 1.00 0.00 0.239 C +ATOM 10290 O GLY B 526 165.551 216.010 219.584 1.00 0.00 -0.273 OA +ATOM 10291 CA GLY B 526 166.400 216.472 221.763 1.00 0.00 0.216 C +ATOM 10292 N GLY B 526 167.724 216.350 222.344 1.00 0.00 -0.346 N +ATOM 10293 H GLY B 526 167.997 217.060 222.745 1.00 0.00 0.164 HD +ATOM 10294 C ALA B 527 167.352 216.536 217.384 1.00 0.00 0.243 C +ATOM 10295 O ALA B 527 166.606 216.461 216.415 1.00 0.00 -0.272 OA +ATOM 10296 CA ALA B 527 167.297 217.768 218.297 1.00 0.00 0.168 C +ATOM 10297 N ALA B 527 167.292 217.435 219.722 1.00 0.00 -0.344 N +ATOM 10298 CB ALA B 527 168.461 218.717 217.980 1.00 0.00 0.041 C +ATOM 10299 H ALA B 527 167.925 217.810 220.169 1.00 0.00 0.164 HD +ATOM 10300 C PRO B 528 166.970 213.578 216.802 1.00 0.00 0.243 C +ATOM 10301 O PRO B 528 166.558 213.124 215.736 1.00 0.00 -0.271 OA +ATOM 10302 CA PRO B 528 168.280 214.368 216.837 1.00 0.00 0.175 C +ATOM 10303 N PRO B 528 168.230 215.565 217.684 1.00 0.00 -0.329 N +ATOM 10304 CB PRO B 528 169.393 213.537 217.480 1.00 0.00 0.037 C +ATOM 10305 CG PRO B 528 170.234 214.523 218.185 1.00 0.00 0.024 C +ATOM 10306 CD PRO B 528 169.288 215.543 218.709 1.00 0.00 0.121 C +ATOM 10307 C PHE B 529 164.016 213.505 217.156 1.00 0.00 0.243 C +ATOM 10308 O PHE B 529 163.275 212.895 216.388 1.00 0.00 -0.272 OA +ATOM 10309 CA PHE B 529 165.032 212.762 218.022 1.00 0.00 0.175 C +ATOM 10310 N PHE B 529 166.337 213.405 217.958 1.00 0.00 -0.343 N +ATOM 10311 CB PHE B 529 164.528 212.706 219.466 1.00 0.00 0.070 C +ATOM 10312 CG PHE B 529 165.243 211.710 220.333 1.00 0.00 -0.045 A +ATOM 10313 CD1 PHE B 529 165.453 210.413 219.901 1.00 0.00 0.004 A +ATOM 10314 CD2 PHE B 529 165.697 212.073 221.590 1.00 0.00 0.004 A +ATOM 10315 CE1 PHE B 529 166.103 209.497 220.706 1.00 0.00 0.000 A +ATOM 10316 CE2 PHE B 529 166.347 211.160 222.397 1.00 0.00 0.000 A +ATOM 10317 CZ PHE B 529 166.550 209.870 221.953 1.00 0.00 0.000 A +ATOM 10318 H PHE B 529 166.645 213.652 218.722 1.00 0.00 0.164 HD +ATOM 10319 C SER B 530 163.202 215.527 215.064 1.00 0.00 0.244 C +ATOM 10320 O SER B 530 162.231 215.298 214.344 1.00 0.00 -0.272 OA +ATOM 10321 CA SER B 530 163.041 215.657 216.571 1.00 0.00 0.197 C +ATOM 10322 N SER B 530 163.990 214.824 217.293 1.00 0.00 -0.342 N +ATOM 10323 CB SER B 530 163.205 217.120 216.981 1.00 0.00 0.191 C +ATOM 10324 OG SER B 530 162.310 217.953 216.262 1.00 0.00 -0.392 OA +ATOM 10325 HG SER B 530 162.411 218.753 216.497 1.00 0.00 0.210 HD +ATOM 10326 H SER B 530 164.521 215.266 217.806 1.00 0.00 0.164 HD +ATOM 10327 C LEU B 531 164.416 214.344 212.522 1.00 0.00 0.243 C +ATOM 10328 O LEU B 531 163.990 214.271 211.366 1.00 0.00 -0.272 OA +ATOM 10329 CA LEU B 531 164.684 215.696 213.154 1.00 0.00 0.172 C +ATOM 10330 N LEU B 531 164.431 215.676 214.585 1.00 0.00 -0.345 N +ATOM 10331 CB LEU B 531 166.123 216.145 212.873 1.00 0.00 0.038 C +ATOM 10332 CG LEU B 531 166.424 217.601 213.251 1.00 0.00 -0.015 C +ATOM 10333 CD1 LEU B 531 167.891 217.908 213.050 1.00 0.00 0.007 C +ATOM 10334 CD2 LEU B 531 165.564 218.569 212.445 1.00 0.00 0.007 C +ATOM 10335 H LEU B 531 165.135 215.769 215.069 1.00 0.00 0.165 HD +ATOM 10336 C LYS B 532 162.870 211.747 212.553 1.00 0.00 0.242 C +ATOM 10337 O LYS B 532 162.429 211.129 211.586 1.00 0.00 -0.273 OA +ATOM 10338 CA LYS B 532 164.378 211.943 212.737 1.00 0.00 0.171 C +ATOM 10339 N LYS B 532 164.652 213.272 213.267 1.00 0.00 -0.344 N +ATOM 10340 CB LYS B 532 164.948 210.855 213.656 1.00 0.00 0.035 C +ATOM 10341 CG LYS B 532 165.858 209.808 212.997 1.00 0.00 0.008 C +ATOM 10342 CD LYS B 532 165.627 209.673 211.494 1.00 0.00 0.061 C +ATOM 10343 CE LYS B 532 166.231 208.418 210.933 1.00 0.00 0.258 C +ATOM 10344 NZ LYS B 532 165.423 207.236 211.263 1.00 0.00 -0.357 N +ATOM 10345 HZ1 LYS B 532 165.799 206.506 210.921 1.00 0.00 0.345 HD +ATOM 10346 HZ2 LYS B 532 165.365 207.145 212.146 1.00 0.00 0.345 HD +ATOM 10347 HZ3 LYS B 532 164.604 207.324 210.927 1.00 0.00 0.345 HD +ATOM 10348 H LYS B 532 164.964 213.285 214.068 1.00 0.00 0.164 HD +ATOM 10349 C GLY B 533 160.043 213.000 212.309 1.00 0.00 0.239 C +ATOM 10350 O GLY B 533 159.007 212.656 211.739 1.00 0.00 -0.273 OA +ATOM 10351 CA GLY B 533 160.642 212.154 213.417 1.00 0.00 0.216 C +ATOM 10352 N GLY B 533 162.087 212.266 213.491 1.00 0.00 -0.346 N +ATOM 10353 H GLY B 533 162.372 212.689 214.183 1.00 0.00 0.164 HD +ATOM 10354 C LEU B 534 160.619 214.536 209.556 1.00 0.00 0.243 C +ATOM 10355 O LEU B 534 159.764 214.335 208.694 1.00 0.00 -0.272 OA +ATOM 10356 CA LEU B 534 160.212 215.006 210.953 1.00 0.00 0.172 C +ATOM 10357 N LEU B 534 160.694 214.113 211.996 1.00 0.00 -0.345 N +ATOM 10358 CB LEU B 534 160.724 216.425 211.206 1.00 0.00 0.038 C +ATOM 10359 CG LEU B 534 160.197 217.052 212.501 1.00 0.00 -0.015 C +ATOM 10360 CD1 LEU B 534 160.985 218.298 212.859 1.00 0.00 0.007 C +ATOM 10361 CD2 LEU B 534 158.711 217.367 212.382 1.00 0.00 0.007 C +ATOM 10362 H LEU B 534 161.420 214.375 212.375 1.00 0.00 0.165 HD +ATOM 10363 C MET B 535 162.248 212.506 207.718 1.00 0.00 0.242 C +ATOM 10364 O MET B 535 162.241 212.087 206.563 1.00 0.00 -0.272 OA +ATOM 10365 CA MET B 535 162.408 213.999 208.004 1.00 0.00 0.172 C +ATOM 10366 N MET B 535 161.917 214.351 209.332 1.00 0.00 -0.344 N +ATOM 10367 CB MET B 535 163.874 214.411 207.841 1.00 0.00 0.046 C +ATOM 10368 CG MET B 535 164.129 215.912 207.958 1.00 0.00 0.072 C +ATOM 10369 SD MET B 535 163.039 216.955 206.959 1.00 0.00 -0.165 SA +ATOM 10370 CE MET B 535 163.403 216.375 205.305 1.00 0.00 0.085 C +ATOM 10371 H MET B 535 162.532 214.423 209.930 1.00 0.00 0.164 HD +ATOM 10372 C GLY B 536 160.501 209.907 208.228 1.00 0.00 0.239 C +ATOM 10373 O GLY B 536 160.173 208.728 208.108 1.00 0.00 -0.273 OA +ATOM 10374 CA GLY B 536 161.920 210.276 208.621 1.00 0.00 0.216 C +ATOM 10375 N GLY B 536 162.113 211.708 208.772 1.00 0.00 -0.346 N +ATOM 10376 H GLY B 536 162.129 211.975 209.589 1.00 0.00 0.164 HD +ATOM 10377 C ASN B 537 158.206 210.251 206.163 1.00 0.00 0.242 C +ATOM 10378 O ASN B 537 158.958 210.753 205.325 1.00 0.00 -0.273 OA +ATOM 10379 CA ASN B 537 158.275 210.682 207.624 1.00 0.00 0.180 C +ATOM 10380 N ASN B 537 159.655 210.912 208.031 1.00 0.00 -0.342 N +ATOM 10381 CB ASN B 537 157.442 211.943 207.848 1.00 0.00 0.134 C +ATOM 10382 CG ASN B 537 155.955 211.693 207.701 1.00 0.00 0.220 C +ATOM 10383 OD1 ASN B 537 155.449 211.518 206.595 1.00 0.00 -0.275 OA +ATOM 10384 ND2 ASN B 537 155.246 211.682 208.822 1.00 0.00 -0.368 N +ATOM 10385 HD22 ASN B 537 154.397 211.544 208.792 1.00 0.00 0.159 HD +ATOM 10386 HD21 ASN B 537 155.634 211.812 209.578 1.00 0.00 0.159 HD +ATOM 10387 H ASN B 537 159.858 211.742 208.128 1.00 0.00 0.164 HD +ATOM 10388 C VAL B 538 157.003 209.761 203.412 1.00 0.00 0.243 C +ATOM 10389 O VAL B 538 157.472 209.548 202.297 1.00 0.00 -0.272 OA +ATOM 10390 CA VAL B 538 157.200 208.732 204.531 1.00 0.00 0.173 C +ATOM 10391 N VAL B 538 157.301 209.325 205.864 1.00 0.00 -0.343 N +ATOM 10392 CB VAL B 538 156.037 207.694 204.469 1.00 0.00 0.015 C +ATOM 10393 CG1 VAL B 538 154.726 208.314 204.907 1.00 0.00 0.010 C +ATOM 10394 CG2 VAL B 538 155.905 207.094 203.071 1.00 0.00 0.010 C +ATOM 10395 H VAL B 538 156.726 209.017 206.424 1.00 0.00 0.164 HD +ATOM 10396 C ILE B 539 157.342 212.546 202.210 1.00 0.00 0.243 C +ATOM 10397 O ILE B 539 157.391 213.165 201.146 1.00 0.00 -0.272 OA +ATOM 10398 CA ILE B 539 156.054 211.845 202.642 1.00 0.00 0.174 C +ATOM 10399 N ILE B 539 156.320 210.869 203.693 1.00 0.00 -0.343 N +ATOM 10400 CB ILE B 539 155.004 212.909 203.061 1.00 0.00 0.018 C +ATOM 10401 CG2 ILE B 539 153.710 212.237 203.518 1.00 0.00 0.010 C +ATOM 10402 CG1 ILE B 539 155.536 213.845 204.156 1.00 0.00 0.002 C +ATOM 10403 CD1 ILE B 539 154.802 215.163 204.214 1.00 0.00 0.004 C +ATOM 10404 H ILE B 539 156.007 211.075 204.467 1.00 0.00 0.164 HD +ATOM 10405 C CYS B 540 160.515 212.094 201.844 1.00 0.00 0.243 C +ATOM 10406 O CYS B 540 161.581 212.484 201.367 1.00 0.00 -0.272 OA +ATOM 10407 CA CYS B 540 159.680 213.027 202.710 1.00 0.00 0.181 C +ATOM 10408 N CYS B 540 158.382 212.443 203.033 1.00 0.00 -0.342 N +ATOM 10409 CB CYS B 540 160.457 213.365 203.983 1.00 0.00 0.101 C +ATOM 10410 SG CYS B 540 159.650 214.557 205.050 1.00 0.00 -0.177 SA +ATOM 10411 HG CYS B 540 160.339 214.750 206.012 1.00 0.00 0.102 HD +ATOM 10412 H CYS B 540 158.361 212.036 203.790 1.00 0.00 0.164 HD +ATOM 10413 C SER B 541 160.548 210.261 199.340 1.00 0.00 0.244 C +ATOM 10414 O SER B 541 159.501 210.796 198.980 1.00 0.00 -0.272 OA +ATOM 10415 CA SER B 541 160.765 209.910 200.816 1.00 0.00 0.197 C +ATOM 10416 N SER B 541 160.043 210.865 201.649 1.00 0.00 -0.342 N +ATOM 10417 CB SER B 541 160.313 208.475 201.106 1.00 0.00 0.191 C +ATOM 10418 OG SER B 541 159.031 208.207 200.566 1.00 0.00 -0.392 OA +ATOM 10419 HG SER B 541 158.464 208.730 200.899 1.00 0.00 0.210 HD +ATOM 10420 H SER B 541 159.312 210.562 201.986 1.00 0.00 0.164 HD +ATOM 10421 C PRO B 542 160.254 209.852 196.313 1.00 0.00 0.243 C +ATOM 10422 O PRO B 542 159.765 210.557 195.431 1.00 0.00 -0.271 OA +ATOM 10423 CA PRO B 542 161.483 210.359 197.067 1.00 0.00 0.175 C +ATOM 10424 N PRO B 542 161.544 209.972 198.484 1.00 0.00 -0.329 N +ATOM 10425 CB PRO B 542 162.767 209.750 196.476 1.00 0.00 0.037 C +ATOM 10426 CG PRO B 542 163.366 208.896 197.548 1.00 0.00 0.024 C +ATOM 10427 CD PRO B 542 162.860 209.419 198.840 1.00 0.00 0.121 C +ATOM 10428 C ALA B 543 157.326 208.924 196.262 1.00 0.00 0.243 C +ATOM 10429 O ALA B 543 156.384 208.941 195.471 1.00 0.00 -0.272 OA +ATOM 10430 CA ALA B 543 158.591 208.130 195.939 1.00 0.00 0.168 C +ATOM 10431 N ALA B 543 159.754 208.666 196.642 1.00 0.00 -0.344 N +ATOM 10432 CB ALA B 543 158.392 206.668 196.276 1.00 0.00 0.041 C +ATOM 10433 H ALA B 543 160.064 208.156 197.261 1.00 0.00 0.164 HD +ATOM 10434 C TYR B 544 156.244 211.853 197.575 1.00 0.00 0.243 C +ATOM 10435 O TYR B 544 155.234 212.498 197.292 1.00 0.00 -0.272 OA +ATOM 10436 CA TYR B 544 156.150 210.352 197.864 1.00 0.00 0.175 C +ATOM 10437 N TYR B 544 157.314 209.587 197.417 1.00 0.00 -0.343 N +ATOM 10438 CB TYR B 544 155.941 210.152 199.364 1.00 0.00 0.070 C +ATOM 10439 CG TYR B 544 155.159 208.911 199.732 1.00 0.00 -0.045 A +ATOM 10440 CD1 TYR B 544 155.718 207.648 199.607 1.00 0.00 0.007 A +ATOM 10441 CD2 TYR B 544 153.862 209.007 200.223 1.00 0.00 0.007 A +ATOM 10442 CE1 TYR B 544 155.009 206.518 199.950 1.00 0.00 0.046 A +ATOM 10443 CE2 TYR B 544 153.147 207.883 200.567 1.00 0.00 0.046 A +ATOM 10444 CZ TYR B 544 153.723 206.641 200.431 1.00 0.00 0.115 A +ATOM 10445 OH TYR B 544 153.013 205.515 200.775 1.00 0.00 -0.507 OA +ATOM 10446 HH TYR B 544 153.479 204.829 200.642 1.00 0.00 0.294 HD +ATOM 10447 H TYR B 544 157.976 209.609 197.966 1.00 0.00 0.164 HD +ATOM 10448 C TRP B 545 157.520 214.381 196.157 1.00 0.00 0.242 C +ATOM 10449 O TRP B 545 158.531 214.623 195.498 1.00 0.00 -0.272 OA +ATOM 10450 CA TRP B 545 157.611 213.863 197.587 1.00 0.00 0.175 C +ATOM 10451 N TRP B 545 157.447 212.412 197.655 1.00 0.00 -0.343 N +ATOM 10452 CB TRP B 545 158.944 214.278 198.211 1.00 0.00 0.072 C +ATOM 10453 CG TRP B 545 159.085 215.760 198.389 1.00 0.00 -0.020 A +ATOM 10454 CD1 TRP B 545 159.956 216.584 197.740 1.00 0.00 0.087 A +ATOM 10455 CD2 TRP B 545 158.328 216.594 199.273 1.00 0.00 0.003 A +ATOM 10456 NE1 TRP B 545 159.792 217.877 198.168 1.00 0.00 -0.359 N +ATOM 10457 CE2 TRP B 545 158.798 217.911 199.110 1.00 0.00 0.046 A +ATOM 10458 CE3 TRP B 545 157.299 216.355 200.190 1.00 0.00 0.010 A +ATOM 10459 HE1 TRP B 545 160.240 218.556 197.889 1.00 0.00 0.166 HD +ATOM 10460 CZ2 TRP B 545 158.276 218.985 199.827 1.00 0.00 0.026 A +ATOM 10461 CZ3 TRP B 545 156.783 217.420 200.902 1.00 0.00 0.001 A +ATOM 10462 CH2 TRP B 545 157.272 218.719 200.717 1.00 0.00 0.002 A +ATOM 10463 H TRP B 545 158.183 211.976 197.749 1.00 0.00 0.164 HD +ATOM 10464 C LYS B 546 154.592 215.524 194.249 1.00 0.00 0.242 C +ATOM 10465 O LYS B 546 153.741 215.051 195.000 1.00 0.00 -0.273 OA +ATOM 10466 CA LYS B 546 156.040 215.051 194.346 1.00 0.00 0.171 C +ATOM 10467 N LYS B 546 156.291 214.565 195.693 1.00 0.00 -0.344 N +ATOM 10468 CB LYS B 546 156.331 213.958 193.318 1.00 0.00 0.035 C +ATOM 10469 CG LYS B 546 155.557 212.674 193.550 1.00 0.00 0.008 C +ATOM 10470 CD LYS B 546 155.932 211.583 192.554 1.00 0.00 0.061 C +ATOM 10471 CE LYS B 546 157.367 211.123 192.727 1.00 0.00 0.258 C +ATOM 10472 NZ LYS B 546 157.654 209.911 191.914 1.00 0.00 -0.357 N +ATOM 10473 HZ1 LYS B 546 158.499 209.659 192.031 1.00 0.00 0.345 HD +ATOM 10474 HZ2 LYS B 546 157.117 209.245 192.162 1.00 0.00 0.345 HD +ATOM 10475 HZ3 LYS B 546 157.520 210.084 191.052 1.00 0.00 0.345 HD +ATOM 10476 H LYS B 546 155.576 214.413 196.146 1.00 0.00 0.164 HD +ATOM 10477 C PRO B 547 151.811 216.102 193.191 1.00 0.00 0.243 C +ATOM 10478 O PRO B 547 150.806 216.358 193.850 1.00 0.00 -0.271 OA +ATOM 10479 CA PRO B 547 152.980 217.085 193.218 1.00 0.00 0.175 C +ATOM 10480 N PRO B 547 154.309 216.470 193.336 1.00 0.00 -0.329 N +ATOM 10481 CB PRO B 547 153.058 217.848 191.883 1.00 0.00 0.037 C +ATOM 10482 CG PRO B 547 154.455 217.658 191.360 1.00 0.00 0.024 C +ATOM 10483 CD PRO B 547 155.290 217.142 192.471 1.00 0.00 0.121 C +ATOM 10484 C SER B 548 150.349 213.467 193.568 1.00 0.00 0.244 C +ATOM 10485 O SER B 548 149.186 213.091 193.698 1.00 0.00 -0.272 OA +ATOM 10486 CA SER B 548 150.826 214.076 192.257 1.00 0.00 0.197 C +ATOM 10487 N SER B 548 151.939 215.005 192.449 1.00 0.00 -0.342 N +ATOM 10488 CB SER B 548 151.221 212.960 191.287 1.00 0.00 0.191 C +ATOM 10489 OG SER B 548 152.411 212.315 191.699 1.00 0.00 -0.392 OA +ATOM 10490 HG SER B 548 153.041 212.869 191.732 1.00 0.00 0.210 HD +ATOM 10491 H SER B 548 152.662 214.774 192.045 1.00 0.00 0.164 HD +ATOM 10492 C THR B 549 149.890 213.684 196.559 1.00 0.00 0.245 C +ATOM 10493 O THR B 549 149.067 213.176 197.321 1.00 0.00 -0.273 OA +ATOM 10494 CA THR B 549 150.927 212.822 195.845 1.00 0.00 0.199 C +ATOM 10495 N THR B 549 151.254 213.371 194.535 1.00 0.00 -0.341 N +ATOM 10496 CB THR B 549 152.193 212.701 196.724 1.00 0.00 0.143 C +ATOM 10497 CG2 THR B 549 151.853 212.250 198.139 1.00 0.00 0.041 C +ATOM 10498 OG1 THR B 549 153.090 211.754 196.136 1.00 0.00 -0.389 OA +ATOM 10499 HG1 THR B 549 153.781 211.682 196.608 1.00 0.00 0.211 HD +ATOM 10500 H THR B 549 152.073 213.621 194.456 1.00 0.00 0.164 HD +ATOM 10501 C PHE B 550 148.040 216.587 196.133 1.00 0.00 0.243 C +ATOM 10502 O PHE B 550 147.544 217.669 196.436 1.00 0.00 -0.272 OA +ATOM 10503 CA PHE B 550 149.105 215.948 197.018 1.00 0.00 0.175 C +ATOM 10504 N PHE B 550 149.928 214.986 196.294 1.00 0.00 -0.343 N +ATOM 10505 CB PHE B 550 149.995 217.027 197.628 1.00 0.00 0.070 C +ATOM 10506 CG PHE B 550 151.160 216.478 198.397 1.00 0.00 -0.045 A +ATOM 10507 CD1 PHE B 550 150.998 216.017 199.692 1.00 0.00 0.004 A +ATOM 10508 CD2 PHE B 550 152.418 216.415 197.821 1.00 0.00 0.004 A +ATOM 10509 CE1 PHE B 550 152.069 215.508 200.398 1.00 0.00 0.000 A +ATOM 10510 CE2 PHE B 550 153.490 215.909 198.524 1.00 0.00 0.000 A +ATOM 10511 CZ PHE B 550 153.315 215.455 199.812 1.00 0.00 0.000 A +ATOM 10512 H PHE B 550 150.429 215.341 195.692 1.00 0.00 0.164 HD +ATOM 10513 C GLY B 551 147.001 217.414 193.178 1.00 0.00 0.239 C +ATOM 10514 O GLY B 551 146.141 218.078 192.604 1.00 0.00 -0.273 OA +ATOM 10515 CA GLY B 551 146.601 216.360 194.192 1.00 0.00 0.216 C +ATOM 10516 N GLY B 551 147.690 215.916 195.042 1.00 0.00 -0.346 N +ATOM 10517 H GLY B 551 148.073 215.194 194.773 1.00 0.00 0.164 HD +ATOM 10518 C GLY B 552 149.620 219.631 192.609 1.00 0.00 0.239 C +ATOM 10519 O GLY B 552 149.916 219.608 193.801 1.00 0.00 -0.273 OA +ATOM 10520 CA GLY B 552 148.817 218.510 191.980 1.00 0.00 0.216 C +ATOM 10521 N GLY B 552 148.304 217.564 192.957 1.00 0.00 -0.346 N +ATOM 10522 H GLY B 552 148.916 217.123 193.368 1.00 0.00 0.164 HD +ATOM 10523 C GLU B 553 150.157 222.600 193.284 1.00 0.00 0.242 C +ATOM 10524 O GLU B 553 150.831 223.132 194.165 1.00 0.00 -0.273 OA +ATOM 10525 CA GLU B 553 150.822 221.718 192.235 1.00 0.00 0.171 C +ATOM 10526 N GLU B 553 149.968 220.621 191.796 1.00 0.00 -0.344 N +ATOM 10527 CB GLU B 553 151.236 222.577 191.037 1.00 0.00 0.041 C +ATOM 10528 CG GLU B 553 152.205 221.898 190.085 1.00 0.00 0.055 C +ATOM 10529 CD GLU B 553 153.541 221.573 190.729 1.00 0.00 0.041 C +ATOM 10530 OE1 GLU B 553 153.812 222.067 191.846 1.00 0.00 -0.548 OA +ATOM 10531 OE2 GLU B 553 154.323 220.822 190.111 1.00 0.00 -0.549 OA +ATOM 10532 H GLU B 553 149.719 220.681 190.975 1.00 0.00 0.164 HD +ATOM 10533 C VAL B 554 148.220 223.015 195.539 1.00 0.00 0.243 C +ATOM 10534 O VAL B 554 148.481 223.748 196.491 1.00 0.00 -0.272 OA +ATOM 10535 CA VAL B 554 148.103 223.587 194.129 1.00 0.00 0.173 C +ATOM 10536 N VAL B 554 148.843 222.766 193.181 1.00 0.00 -0.343 N +ATOM 10537 CB VAL B 554 146.617 223.702 193.733 1.00 0.00 0.015 C +ATOM 10538 CG1 VAL B 554 145.815 224.441 194.805 1.00 0.00 0.010 C +ATOM 10539 CG2 VAL B 554 146.491 224.415 192.399 1.00 0.00 0.010 C +ATOM 10540 H VAL B 554 148.355 222.411 192.568 1.00 0.00 0.164 HD +ATOM 10541 C GLY B 555 149.556 221.020 197.453 1.00 0.00 0.239 C +ATOM 10542 O GLY B 555 149.817 221.239 198.635 1.00 0.00 -0.273 OA +ATOM 10543 CA GLY B 555 148.127 221.045 196.953 1.00 0.00 0.216 C +ATOM 10544 N GLY B 555 148.025 221.707 195.666 1.00 0.00 -0.346 N +ATOM 10545 H GLY B 555 147.831 221.180 195.015 1.00 0.00 0.164 HD +ATOM 10546 C PHE B 556 152.376 222.042 197.417 1.00 0.00 0.243 C +ATOM 10547 O PHE B 556 153.286 222.106 198.243 1.00 0.00 -0.272 OA +ATOM 10548 CA PHE B 556 151.902 220.698 196.876 1.00 0.00 0.175 C +ATOM 10549 N PHE B 556 150.485 220.751 196.542 1.00 0.00 -0.343 N +ATOM 10550 CB PHE B 556 152.717 220.303 195.639 1.00 0.00 0.070 C +ATOM 10551 CG PHE B 556 154.099 219.776 195.939 1.00 0.00 -0.045 A +ATOM 10552 CD1 PHE B 556 154.367 219.075 197.104 1.00 0.00 0.004 A +ATOM 10553 CD2 PHE B 556 155.131 219.976 195.037 1.00 0.00 0.004 A +ATOM 10554 CE1 PHE B 556 155.639 218.589 197.364 1.00 0.00 0.000 A +ATOM 10555 CE2 PHE B 556 156.404 219.495 195.291 1.00 0.00 0.000 A +ATOM 10556 CZ PHE B 556 156.657 218.799 196.455 1.00 0.00 0.000 A +ATOM 10557 H PHE B 556 150.317 220.595 195.713 1.00 0.00 0.164 HD +ATOM 10558 C GLN B 557 151.600 224.842 198.698 1.00 0.00 0.242 C +ATOM 10559 O GLN B 557 152.213 225.638 199.407 1.00 0.00 -0.273 OA +ATOM 10560 CA GLN B 557 152.136 224.466 197.320 1.00 0.00 0.171 C +ATOM 10561 N GLN B 557 151.748 223.113 196.945 1.00 0.00 -0.343 N +ATOM 10562 CB GLN B 557 151.650 225.463 196.263 1.00 0.00 0.045 C +ATOM 10563 CG GLN B 557 151.831 226.930 196.637 1.00 0.00 0.102 C +ATOM 10564 CD GLN B 557 152.489 227.735 195.539 1.00 0.00 0.217 C +ATOM 10565 OE1 GLN B 557 151.817 228.370 194.724 1.00 0.00 -0.275 OA +ATOM 10566 NE2 GLN B 557 153.818 227.718 195.515 1.00 0.00 -0.368 N +ATOM 10567 HE22 GLN B 557 154.253 227.266 196.103 1.00 0.00 0.159 HD +ATOM 10568 HE21 GLN B 557 154.242 228.159 194.911 1.00 0.00 0.159 HD +ATOM 10569 H GLN B 557 151.085 223.081 196.399 1.00 0.00 0.164 HD +ATOM 10570 C ILE B 558 150.938 224.065 201.472 1.00 0.00 0.243 C +ATOM 10571 O ILE B 558 151.076 224.711 202.511 1.00 0.00 -0.272 OA +ATOM 10572 CA ILE B 558 149.923 224.501 200.416 1.00 0.00 0.174 C +ATOM 10573 N ILE B 558 150.466 224.267 199.083 1.00 0.00 -0.343 N +ATOM 10574 CB ILE B 558 148.585 223.759 200.630 1.00 0.00 0.018 C +ATOM 10575 CG2 ILE B 558 148.164 223.814 202.103 1.00 0.00 0.010 C +ATOM 10576 CG1 ILE B 558 147.499 224.379 199.740 1.00 0.00 0.002 C +ATOM 10577 CD1 ILE B 558 146.123 223.743 199.867 1.00 0.00 0.004 C +ATOM 10578 H ILE B 558 149.994 223.739 198.594 1.00 0.00 0.164 HD +ATOM 10579 C ILE B 559 153.860 223.460 202.134 1.00 0.00 0.243 C +ATOM 10580 O ILE B 559 154.302 223.891 203.196 1.00 0.00 -0.272 OA +ATOM 10581 CA ILE B 559 152.685 222.494 202.106 1.00 0.00 0.174 C +ATOM 10582 N ILE B 559 151.649 222.975 201.199 1.00 0.00 -0.343 N +ATOM 10583 CB ILE B 559 153.204 221.093 201.695 1.00 0.00 0.018 C +ATOM 10584 CG2 ILE B 559 154.466 220.722 202.489 1.00 0.00 0.010 C +ATOM 10585 CG1 ILE B 559 152.124 220.033 201.911 1.00 0.00 0.002 C +ATOM 10586 CD1 ILE B 559 152.463 218.685 201.312 1.00 0.00 0.004 C +ATOM 10587 H ILE B 559 151.550 222.495 200.493 1.00 0.00 0.164 HD +ATOM 10588 C ASN B 560 155.543 225.991 201.118 1.00 0.00 0.242 C +ATOM 10589 O ASN B 560 156.566 226.665 201.175 1.00 0.00 -0.273 OA +ATOM 10590 CA ASN B 560 155.627 224.495 200.831 1.00 0.00 0.180 C +ATOM 10591 N ASN B 560 154.359 223.793 200.954 1.00 0.00 -0.342 N +ATOM 10592 CB ASN B 560 156.196 224.262 199.433 1.00 0.00 0.134 C +ATOM 10593 CG ASN B 560 156.708 222.845 199.249 1.00 0.00 0.220 C +ATOM 10594 OD1 ASN B 560 157.414 222.314 200.107 1.00 0.00 -0.275 OA +ATOM 10595 ND2 ASN B 560 156.342 222.218 198.135 1.00 0.00 -0.368 N +ATOM 10596 HD22 ASN B 560 156.607 221.414 197.987 1.00 0.00 0.159 HD +ATOM 10597 HD21 ASN B 560 155.840 222.618 197.562 1.00 0.00 0.159 HD +ATOM 10598 H ASN B 560 153.980 223.621 200.201 1.00 0.00 0.164 HD +ATOM 10599 C THR B 561 153.458 228.041 203.016 1.00 0.00 0.245 C +ATOM 10600 O THR B 561 152.989 229.119 203.382 1.00 0.00 -0.273 OA +ATOM 10601 CA THR B 561 154.133 227.908 201.655 1.00 0.00 0.199 C +ATOM 10602 N THR B 561 154.330 226.503 201.306 1.00 0.00 -0.341 N +ATOM 10603 CB THR B 561 153.283 228.645 200.600 1.00 0.00 0.143 C +ATOM 10604 CG2 THR B 561 153.894 228.485 199.217 1.00 0.00 0.041 C +ATOM 10605 OG1 THR B 561 151.947 228.122 200.602 1.00 0.00 -0.389 OA +ATOM 10606 HG1 THR B 561 151.959 227.302 200.421 1.00 0.00 0.211 HD +ATOM 10607 H THR B 561 153.599 226.055 201.237 1.00 0.00 0.164 HD +ATOM 10608 C ALA B 562 153.619 227.592 206.134 1.00 0.00 0.243 C +ATOM 10609 O ALA B 562 154.840 227.453 206.145 1.00 0.00 -0.272 OA +ATOM 10610 CA ALA B 562 152.758 226.934 205.064 1.00 0.00 0.168 C +ATOM 10611 N ALA B 562 153.417 226.945 203.766 1.00 0.00 -0.344 N +ATOM 10612 CB ALA B 562 152.418 225.510 205.473 1.00 0.00 0.041 C +ATOM 10613 H ALA B 562 153.766 226.192 203.543 1.00 0.00 0.164 HD +ATOM 10614 C SER B 563 152.576 228.931 209.318 1.00 0.00 0.244 C +ATOM 10615 O SER B 563 151.387 228.735 209.071 1.00 0.00 -0.272 OA +ATOM 10616 CA SER B 563 153.604 228.889 208.201 1.00 0.00 0.197 C +ATOM 10617 N SER B 563 152.960 228.317 207.028 1.00 0.00 -0.342 N +ATOM 10618 CB SER B 563 154.153 230.286 207.909 1.00 0.00 0.191 C +ATOM 10619 OG SER B 563 153.108 231.197 207.614 1.00 0.00 -0.392 OA +ATOM 10620 HG SER B 563 153.427 231.958 207.457 1.00 0.00 0.210 HD +ATOM 10621 H SER B 563 152.120 228.496 206.975 1.00 0.00 0.164 HD +ATOM 10622 C ILE B 564 151.167 230.468 211.462 1.00 0.00 0.243 C +ATOM 10623 O ILE B 564 150.013 230.443 211.883 1.00 0.00 -0.272 OA +ATOM 10624 CA ILE B 564 152.091 229.265 211.658 1.00 0.00 0.174 C +ATOM 10625 N ILE B 564 153.021 229.175 210.544 1.00 0.00 -0.343 N +ATOM 10626 CB ILE B 564 152.825 229.373 213.016 1.00 0.00 0.018 C +ATOM 10627 CG2 ILE B 564 153.668 230.644 213.087 1.00 0.00 0.010 C +ATOM 10628 CG1 ILE B 564 151.831 229.317 214.180 1.00 0.00 0.002 C +ATOM 10629 CD1 ILE B 564 151.115 227.991 214.318 1.00 0.00 0.004 C +ATOM 10630 H ILE B 564 153.847 229.289 210.756 1.00 0.00 0.164 HD +ATOM 10631 C GLN B 565 149.782 232.447 209.525 1.00 0.00 0.242 C +ATOM 10632 O GLN B 565 148.641 232.862 209.713 1.00 0.00 -0.273 OA +ATOM 10633 CA GLN B 565 150.878 232.709 210.555 1.00 0.00 0.171 C +ATOM 10634 N GLN B 565 151.673 231.511 210.810 1.00 0.00 -0.343 N +ATOM 10635 CB GLN B 565 151.774 233.859 210.085 1.00 0.00 0.045 C +ATOM 10636 CG GLN B 565 151.024 235.109 209.624 1.00 0.00 0.102 C +ATOM 10637 CD GLN B 565 150.184 235.744 210.720 1.00 0.00 0.217 C +ATOM 10638 OE1 GLN B 565 150.656 236.614 211.452 1.00 0.00 -0.275 OA +ATOM 10639 NE2 GLN B 565 148.929 235.321 210.828 1.00 0.00 -0.368 N +ATOM 10640 HE22 GLN B 565 148.631 234.717 210.294 1.00 0.00 0.159 HD +ATOM 10641 HE21 GLN B 565 148.415 235.651 211.434 1.00 0.00 0.159 HD +ATOM 10642 H GLN B 565 152.476 231.550 210.504 1.00 0.00 0.164 HD +ATOM 10643 C SER B 566 148.131 230.449 207.837 1.00 0.00 0.244 C +ATOM 10644 O SER B 566 147.001 230.447 207.355 1.00 0.00 -0.272 OA +ATOM 10645 CA SER B 566 149.162 231.481 207.382 1.00 0.00 0.197 C +ATOM 10646 N SER B 566 150.127 231.761 208.440 1.00 0.00 -0.342 N +ATOM 10647 CB SER B 566 149.867 230.991 206.116 1.00 0.00 0.191 C +ATOM 10648 OG SER B 566 150.243 229.632 206.231 1.00 0.00 -0.392 OA +ATOM 10649 HG SER B 566 150.628 229.380 205.529 1.00 0.00 0.210 HD +ATOM 10650 H SER B 566 150.914 231.447 208.291 1.00 0.00 0.164 HD +ATOM 10651 C LEU B 567 146.500 229.333 210.080 1.00 0.00 0.243 C +ATOM 10652 O LEU B 567 145.317 229.032 209.924 1.00 0.00 -0.272 OA +ATOM 10653 CA LEU B 567 147.602 228.601 209.333 1.00 0.00 0.172 C +ATOM 10654 N LEU B 567 148.527 229.571 208.753 1.00 0.00 -0.345 N +ATOM 10655 CB LEU B 567 148.332 227.644 210.279 1.00 0.00 0.038 C +ATOM 10656 CG LEU B 567 147.460 226.622 211.017 1.00 0.00 -0.015 C +ATOM 10657 CD1 LEU B 567 146.908 225.571 210.062 1.00 0.00 0.007 C +ATOM 10658 CD2 LEU B 567 148.240 225.964 212.142 1.00 0.00 0.007 C +ATOM 10659 H LEU B 567 149.330 229.516 209.057 1.00 0.00 0.165 HD +ATOM 10660 C ILE B 568 145.187 232.014 210.711 1.00 0.00 0.243 C +ATOM 10661 O ILE B 568 143.974 232.163 210.839 1.00 0.00 -0.272 OA +ATOM 10662 CA ILE B 568 145.966 231.107 211.656 1.00 0.00 0.174 C +ATOM 10663 N ILE B 568 146.906 230.296 210.899 1.00 0.00 -0.343 N +ATOM 10664 CB ILE B 568 146.703 231.937 212.737 1.00 0.00 0.018 C +ATOM 10665 CG2 ILE B 568 146.016 233.282 212.992 1.00 0.00 0.010 C +ATOM 10666 CG1 ILE B 568 146.760 231.150 214.049 1.00 0.00 0.002 C +ATOM 10667 CD1 ILE B 568 147.407 229.780 213.932 1.00 0.00 0.004 C +ATOM 10668 H ILE B 568 147.730 230.500 211.033 1.00 0.00 0.164 HD +ATOM 10669 CB CYS B 569 146.347 234.134 207.895 1.00 0.00 0.116 C +ATOM 10670 SG CYS B 569 145.778 235.553 206.944 1.00 0.00 -0.092 SA +ATOM 10671 CA CYS B 569 145.286 233.556 208.830 1.00 0.00 0.183 C +ATOM 10672 C CYS B 569 144.161 232.932 208.008 1.00 0.00 0.244 C +ATOM 10673 N CYS B 569 145.890 232.599 209.749 1.00 0.00 -0.343 N +ATOM 10674 O CYS B 569 143.130 233.562 207.773 1.00 0.00 -0.272 OA +ATOM 10675 H CYS B 569 146.726 232.458 209.605 1.00 0.00 0.164 HD +ATOM 10676 C ASN B 570 142.173 230.485 207.489 1.00 0.00 0.242 C +ATOM 10677 O ASN B 570 141.107 230.300 206.904 1.00 0.00 -0.273 OA +ATOM 10678 CA ASN B 570 143.385 231.015 206.727 1.00 0.00 0.180 C +ATOM 10679 N ASN B 570 144.359 231.691 207.576 1.00 0.00 -0.342 N +ATOM 10680 CB ASN B 570 144.047 229.856 205.979 1.00 0.00 0.134 C +ATOM 10681 CG ASN B 570 144.940 230.319 204.844 1.00 0.00 0.220 C +ATOM 10682 OD1 ASN B 570 144.743 231.395 204.284 1.00 0.00 -0.275 OA +ATOM 10683 ND2 ASN B 570 145.925 229.500 204.494 1.00 0.00 -0.368 N +ATOM 10684 HD22 ASN B 570 146.459 229.718 203.856 1.00 0.00 0.159 HD +ATOM 10685 HD21 ASN B 570 146.029 228.752 204.905 1.00 0.00 0.159 HD +ATOM 10686 H ASN B 570 145.053 231.217 207.761 1.00 0.00 0.164 HD +ATOM 10687 C ASN B 571 140.791 230.301 210.790 1.00 0.00 0.242 C +ATOM 10688 O ASN B 571 139.858 229.838 211.445 1.00 0.00 -0.273 OA +ATOM 10689 CA ASN B 571 141.312 229.548 209.567 1.00 0.00 0.180 C +ATOM 10690 N ASN B 571 142.331 230.251 208.789 1.00 0.00 -0.342 N +ATOM 10691 CB ASN B 571 141.859 228.195 210.016 1.00 0.00 0.134 C +ATOM 10692 CG ASN B 571 142.243 227.312 208.849 1.00 0.00 0.220 C +ATOM 10693 OD1 ASN B 571 141.381 226.796 208.138 1.00 0.00 -0.275 OA +ATOM 10694 ND2 ASN B 571 143.542 227.134 208.643 1.00 0.00 -0.368 N +ATOM 10695 HD22 ASN B 571 143.811 226.641 207.992 1.00 0.00 0.159 HD +ATOM 10696 HD21 ASN B 571 144.115 227.513 209.161 1.00 0.00 0.159 HD +ATOM 10697 H ASN B 571 143.021 230.488 209.245 1.00 0.00 0.164 HD +ATOM 10698 C VAL B 572 140.318 233.555 211.770 1.00 0.00 0.243 C +ATOM 10699 O VAL B 572 140.858 234.249 210.908 1.00 0.00 -0.272 OA +ATOM 10700 CA VAL B 572 140.946 232.246 212.242 1.00 0.00 0.173 C +ATOM 10701 N VAL B 572 141.383 231.450 211.098 1.00 0.00 -0.343 N +ATOM 10702 CB VAL B 572 142.110 232.538 213.211 1.00 0.00 0.015 C +ATOM 10703 CG1 VAL B 572 141.623 233.324 214.416 1.00 0.00 0.010 C +ATOM 10704 CG2 VAL B 572 142.753 231.234 213.663 1.00 0.00 0.010 C +ATOM 10705 H VAL B 572 142.040 231.792 210.661 1.00 0.00 0.164 HD +ATOM 10706 C LYS B 573 139.220 236.325 212.237 1.00 0.00 0.242 C +ATOM 10707 O LYS B 573 139.763 236.521 213.324 1.00 0.00 -0.273 OA +ATOM 10708 CA LYS B 573 138.400 235.061 211.995 1.00 0.00 0.171 C +ATOM 10709 N LYS B 573 139.163 233.868 212.344 1.00 0.00 -0.344 N +ATOM 10710 CB LYS B 573 137.105 235.094 212.813 1.00 0.00 0.035 C +ATOM 10711 CG LYS B 573 136.075 236.119 212.386 1.00 0.00 0.008 C +ATOM 10712 CD LYS B 573 134.949 236.159 213.413 1.00 0.00 0.061 C +ATOM 10713 CE LYS B 573 133.848 237.131 213.036 1.00 0.00 0.258 C +ATOM 10714 NZ LYS B 573 132.824 237.225 214.116 1.00 0.00 -0.357 N +ATOM 10715 HZ1 LYS B 573 132.185 237.798 213.881 1.00 0.00 0.345 HD +ATOM 10716 HZ2 LYS B 573 132.457 236.426 214.258 1.00 0.00 0.345 HD +ATOM 10717 HZ3 LYS B 573 133.202 237.507 214.871 1.00 0.00 0.345 HD +ATOM 10718 H LYS B 573 138.790 233.392 212.955 1.00 0.00 0.164 HD +ATOM 10719 C GLY B 574 141.482 238.349 210.877 1.00 0.00 0.239 C +ATOM 10720 O GLY B 574 142.108 239.377 210.623 1.00 0.00 -0.273 OA +ATOM 10721 CA GLY B 574 140.031 238.429 211.317 1.00 0.00 0.216 C +ATOM 10722 N GLY B 574 139.315 237.169 211.213 1.00 0.00 -0.346 N +ATOM 10723 H GLY B 574 138.968 237.030 210.439 1.00 0.00 0.164 HD +ATOM 10724 CB CYS B 575 143.621 237.337 208.938 1.00 0.00 0.116 C +ATOM 10725 SG CYS B 575 145.278 237.010 208.272 1.00 0.00 -0.092 SA +ATOM 10726 CA CYS B 575 143.403 236.909 210.394 1.00 0.00 0.183 C +ATOM 10727 C CYS B 575 144.361 237.660 211.316 1.00 0.00 0.244 C +ATOM 10728 N CYS B 575 142.013 237.132 210.790 1.00 0.00 -0.343 N +ATOM 10729 O CYS B 575 145.163 238.472 210.858 1.00 0.00 -0.272 OA +ATOM 10730 H CYS B 575 141.582 236.407 210.957 1.00 0.00 0.164 HD +ATOM 10731 C PRO B 576 146.606 237.822 213.376 1.00 0.00 0.243 C +ATOM 10732 O PRO B 576 146.956 236.766 212.850 1.00 0.00 -0.271 OA +ATOM 10733 CA PRO B 576 145.127 238.113 213.580 1.00 0.00 0.175 C +ATOM 10734 N PRO B 576 144.282 237.389 212.627 1.00 0.00 -0.329 N +ATOM 10735 CB PRO B 576 144.654 237.586 214.937 1.00 0.00 0.037 C +ATOM 10736 CG PRO B 576 144.129 236.231 214.644 1.00 0.00 0.024 C +ATOM 10737 CD PRO B 576 143.498 236.331 213.284 1.00 0.00 0.121 C +ATOM 10738 C PHE B 577 149.164 237.396 214.822 1.00 0.00 0.243 C +ATOM 10739 O PHE B 577 148.570 237.388 215.900 1.00 0.00 -0.272 OA +ATOM 10740 CA PHE B 577 148.889 238.486 213.800 1.00 0.00 0.175 C +ATOM 10741 N PHE B 577 147.462 238.753 213.777 1.00 0.00 -0.343 N +ATOM 10742 CB PHE B 577 149.690 239.743 214.145 1.00 0.00 0.070 C +ATOM 10743 CG PHE B 577 151.109 239.455 214.549 1.00 0.00 -0.045 A +ATOM 10744 CD1 PHE B 577 151.438 239.251 215.880 1.00 0.00 0.004 A +ATOM 10745 CD2 PHE B 577 152.111 239.377 213.599 1.00 0.00 0.004 A +ATOM 10746 CE1 PHE B 577 152.738 238.978 216.253 1.00 0.00 0.000 A +ATOM 10747 CE2 PHE B 577 153.413 239.107 213.968 1.00 0.00 0.000 A +ATOM 10748 CZ PHE B 577 153.726 238.906 215.297 1.00 0.00 0.000 A +ATOM 10749 H PHE B 577 147.242 239.542 214.039 1.00 0.00 0.164 HD +ATOM 10750 C THR B 578 151.974 235.147 215.227 1.00 0.00 0.245 C +ATOM 10751 O THR B 578 152.552 235.461 214.187 1.00 0.00 -0.273 OA +ATOM 10752 CA THR B 578 150.510 235.483 215.450 1.00 0.00 0.199 C +ATOM 10753 N THR B 578 150.055 236.472 214.483 1.00 0.00 -0.341 N +ATOM 10754 CB THR B 578 149.670 234.188 215.394 1.00 0.00 0.143 C +ATOM 10755 CG2 THR B 578 150.003 233.354 214.159 1.00 0.00 0.041 C +ATOM 10756 OG1 THR B 578 149.908 233.416 216.578 1.00 0.00 -0.389 OA +ATOM 10757 HG1 THR B 578 149.690 233.858 217.258 1.00 0.00 0.211 HD +ATOM 10758 H THR B 578 150.409 236.396 213.704 1.00 0.00 0.164 HD +ATOM 10759 C SER B 579 154.266 233.351 217.465 1.00 0.00 0.244 C +ATOM 10760 O SER B 579 153.444 233.283 218.378 1.00 0.00 -0.272 OA +ATOM 10761 CA SER B 579 153.978 234.199 216.239 1.00 0.00 0.197 C +ATOM 10762 N SER B 579 152.558 234.495 216.223 1.00 0.00 -0.342 N +ATOM 10763 CB SER B 579 154.801 235.489 216.259 1.00 0.00 0.191 C +ATOM 10764 OG SER B 579 156.158 235.233 216.568 1.00 0.00 -0.392 OA +ATOM 10765 HG SER B 579 156.592 235.952 216.574 1.00 0.00 0.210 HD +ATOM 10766 H SER B 579 152.140 234.207 216.917 1.00 0.00 0.164 HD +ATOM 10767 C PHE B 580 156.516 232.654 219.709 1.00 0.00 0.243 C +ATOM 10768 O PHE B 580 156.912 232.091 220.727 1.00 0.00 -0.272 OA +ATOM 10769 CA PHE B 580 155.789 231.862 218.626 1.00 0.00 0.175 C +ATOM 10770 N PHE B 580 155.424 232.702 217.492 1.00 0.00 -0.343 N +ATOM 10771 CB PHE B 580 156.646 230.684 218.160 1.00 0.00 0.070 C +ATOM 10772 CG PHE B 580 155.863 229.593 217.474 1.00 0.00 -0.045 A +ATOM 10773 CD1 PHE B 580 154.634 229.183 217.966 1.00 0.00 0.004 A +ATOM 10774 CD2 PHE B 580 156.357 228.980 216.337 1.00 0.00 0.004 A +ATOM 10775 CE1 PHE B 580 153.919 228.183 217.340 1.00 0.00 0.000 A +ATOM 10776 CE2 PHE B 580 155.644 227.981 215.707 1.00 0.00 0.000 A +ATOM 10777 CZ PHE B 580 154.424 227.582 216.209 1.00 0.00 0.000 A +ATOM 10778 H PHE B 580 156.016 232.732 216.869 1.00 0.00 0.164 HD +ATOM 10779 C SER B 581 156.381 236.064 220.720 1.00 0.00 0.244 C +ATOM 10780 O SER B 581 155.604 236.442 219.844 1.00 0.00 -0.272 OA +ATOM 10781 CA SER B 581 157.253 234.832 220.507 1.00 0.00 0.197 C +ATOM 10782 N SER B 581 156.678 233.956 219.493 1.00 0.00 -0.342 N +ATOM 10783 CB SER B 581 158.673 235.253 220.120 1.00 0.00 0.191 C +ATOM 10784 OG SER B 581 158.713 235.766 218.802 1.00 0.00 -0.392 OA +ATOM 10785 HG SER B 581 158.453 235.181 218.258 1.00 0.00 0.210 HD +ATOM 10786 H SER B 581 156.462 234.358 218.764 1.00 0.00 0.164 HD +ATOM 10787 C VAL B 582 156.216 239.084 221.473 1.00 0.00 0.243 C +ATOM 10788 O VAL B 582 157.423 239.279 221.350 1.00 0.00 -0.272 OA +ATOM 10789 CA VAL B 582 155.706 237.850 222.223 1.00 0.00 0.173 C +ATOM 10790 N VAL B 582 156.512 236.682 221.888 1.00 0.00 -0.343 N +ATOM 10791 CB VAL B 582 155.712 238.129 223.744 1.00 0.00 0.015 C +ATOM 10792 CG1 VAL B 582 155.227 236.905 224.504 1.00 0.00 0.010 C +ATOM 10793 CG2 VAL B 582 157.098 238.536 224.233 1.00 0.00 0.010 C +ATOM 10794 H VAL B 582 157.061 236.444 222.506 1.00 0.00 0.164 HD +ATOM 10795 C PRO B 583 156.283 242.166 221.359 1.00 0.00 0.243 C +ATOM 10796 O PRO B 583 157.500 242.237 221.522 1.00 0.00 -0.271 OA +ATOM 10797 CA PRO B 583 155.738 241.178 220.334 1.00 0.00 0.175 C +ATOM 10798 N PRO B 583 155.299 239.914 220.943 1.00 0.00 -0.329 N +ATOM 10799 CB PRO B 583 154.461 241.720 219.687 1.00 0.00 0.037 C +ATOM 10800 CG PRO B 583 153.585 240.534 219.510 1.00 0.00 0.024 C +ATOM 10801 CD PRO B 583 153.879 239.641 220.665 1.00 0.00 0.121 C diff --git a/data/examples/ibuprofen_complete/protein/test_meeko_out.pdbqt b/data/examples/ibuprofen_complete/protein/test_meeko_out.pdbqt new file mode 100644 index 0000000000000000000000000000000000000000..841ced4a36402eaaa3fc756cc47b7916b4ea0da9 --- /dev/null +++ b/data/examples/ibuprofen_complete/protein/test_meeko_out.pdbqt @@ -0,0 +1,10801 @@ +ATOM 1 C ASN A 34 139.630 207.732 183.119 1.00 0.00 0.242 C +ATOM 2 O ASN A 34 139.895 206.636 182.629 1.00 0.00 -0.273 OA +ATOM 3 CA ASN A 34 138.533 207.856 184.179 1.00 0.00 0.180 C +ATOM 4 N ASN A 34 137.227 207.570 183.594 1.00 0.00 -0.342 N +ATOM 5 CB ASN A 34 138.811 206.908 185.347 1.00 0.00 0.134 C +ATOM 6 CG ASN A 34 140.040 207.308 186.155 1.00 0.00 0.220 C +ATOM 7 OD1 ASN A 34 140.862 208.111 185.714 1.00 0.00 -0.275 OA +ATOM 8 ND2 ASN A 34 140.169 206.738 187.345 1.00 0.00 -0.368 N +ATOM 9 HD22 ASN A 34 140.845 206.928 187.842 1.00 0.00 0.159 HD +ATOM 10 HD21 ASN A 34 139.577 206.178 187.620 1.00 0.00 0.159 HD +ATOM 11 H ASN A 34 136.547 208.287 183.885 1.00 0.00 0.164 HD +ATOM 12 C PRO A 35 142.507 208.008 181.959 1.00 0.00 0.243 C +ATOM 13 O PRO A 35 143.212 207.612 181.031 1.00 0.00 -0.271 OA +ATOM 14 CA PRO A 35 141.245 208.816 181.653 1.00 0.00 0.175 C +ATOM 15 N PRO A 35 140.282 208.853 182.762 1.00 0.00 -0.329 N +ATOM 16 CB PRO A 35 141.586 210.294 181.446 1.00 0.00 0.037 C +ATOM 17 CG PRO A 35 141.355 210.918 182.770 1.00 0.00 0.024 C +ATOM 18 CD PRO A 35 140.194 210.192 183.368 1.00 0.00 0.121 C +ATOM 19 CB CYS A 36 144.318 207.316 185.089 1.00 0.00 0.116 C +ATOM 20 SG CYS A 36 144.905 208.999 185.381 1.00 0.00 -0.092 SA +ATOM 21 CA CYS A 36 143.973 207.022 183.629 1.00 0.00 0.183 C +ATOM 22 C CYS A 36 143.807 205.516 183.426 1.00 0.00 0.244 C +ATOM 23 N CYS A 36 142.781 207.766 183.235 1.00 0.00 -0.343 N +ATOM 24 O CYS A 36 144.756 204.754 183.608 1.00 0.00 -0.272 OA +ATOM 25 H CYS A 36 142.293 208.023 183.895 1.00 0.00 0.164 HD +ATOM 26 CB CYS A 37 140.881 203.488 182.346 1.00 0.00 0.116 C +ATOM 27 SG CYS A 37 139.665 203.670 183.660 1.00 0.00 -0.092 SA +ATOM 28 CA CYS A 37 142.333 203.681 182.788 1.00 0.00 0.183 C +ATOM 29 C CYS A 37 143.266 203.108 181.725 1.00 0.00 0.244 C +ATOM 30 N CYS A 37 142.604 205.092 183.051 1.00 0.00 -0.343 N +ATOM 31 O CYS A 37 143.586 201.921 181.747 1.00 0.00 -0.272 OA +ATOM 32 H CYS A 37 141.922 205.605 182.940 1.00 0.00 0.164 HD +ATOM 33 C SER A 38 146.020 203.426 180.124 1.00 0.00 0.244 C +ATOM 34 O SER A 38 146.876 203.035 179.329 1.00 0.00 -0.272 OA +ATOM 35 CA SER A 38 144.555 203.516 179.700 1.00 0.00 0.197 C +ATOM 36 N SER A 38 143.697 203.954 180.794 1.00 0.00 -0.342 N +ATOM 37 CB SER A 38 144.416 204.462 178.504 1.00 0.00 0.191 C +ATOM 38 OG SER A 38 144.772 205.788 178.852 1.00 0.00 -0.392 OA +ATOM 39 HG SER A 38 144.690 206.292 178.185 1.00 0.00 0.210 HD +ATOM 40 H SER A 38 143.504 204.792 180.774 1.00 0.00 0.164 HD +ATOM 41 C HIS A 39 148.596 204.581 180.979 1.00 0.00 0.242 C +ATOM 42 O HIS A 39 149.604 204.049 180.513 1.00 0.00 -0.272 OA +ATOM 43 CA HIS A 39 147.660 203.800 181.904 1.00 0.00 0.177 C +ATOM 44 N HIS A 39 146.296 203.780 181.376 1.00 0.00 -0.343 N +ATOM 45 CB HIS A 39 148.176 202.373 182.102 1.00 0.00 0.093 C +ATOM 46 CG HIS A 39 147.180 201.454 182.741 1.00 0.00 0.061 A +ATOM 47 ND1 HIS A 39 146.724 201.628 184.029 1.00 0.00 -0.242 NA +ATOM 48 CD2 HIS A 39 146.551 200.354 182.265 1.00 0.00 0.107 A +ATOM 49 CE1 HIS A 39 145.856 200.675 184.319 1.00 0.00 0.196 A +ATOM 50 NE2 HIS A 39 145.734 199.888 183.266 1.00 0.00 -0.350 N +ATOM 51 HE2 HIS A 39 145.226 199.196 183.215 1.00 0.00 0.167 HD +ATOM 52 H HIS A 39 145.701 204.017 181.950 1.00 0.00 0.164 HD +ATOM 53 C PRO A 40 150.408 207.042 180.150 1.00 0.00 0.243 C +ATOM 54 O PRO A 40 151.262 207.225 179.285 1.00 0.00 -0.271 OA +ATOM 55 CA PRO A 40 148.984 206.672 179.735 1.00 0.00 0.175 C +ATOM 56 N PRO A 40 148.262 205.852 180.715 1.00 0.00 -0.329 N +ATOM 57 CB PRO A 40 148.113 207.928 179.631 1.00 0.00 0.037 C +ATOM 58 CG PRO A 40 147.426 208.018 180.943 1.00 0.00 0.024 C +ATOM 59 CD PRO A 40 147.169 206.602 181.359 1.00 0.00 0.121 C +ATOM 60 CB CYS A 41 151.794 208.190 183.350 1.00 0.00 0.116 C +ATOM 61 SG CYS A 41 150.551 209.496 183.450 1.00 0.00 -0.092 SA +ATOM 62 CA CYS A 41 151.951 207.624 181.940 1.00 0.00 0.183 C +ATOM 63 C CYS A 41 153.016 206.531 181.930 1.00 0.00 0.244 C +ATOM 64 N CYS A 41 150.660 207.145 181.450 1.00 0.00 -0.343 N +ATOM 65 O CYS A 41 152.841 205.474 182.532 1.00 0.00 -0.272 OA +ATOM 66 H CYS A 41 150.101 206.945 182.071 1.00 0.00 0.164 HD +ATOM 67 C GLN A 42 156.344 206.093 182.070 1.00 0.00 0.242 C +ATOM 68 O GLN A 42 156.445 207.166 182.662 1.00 0.00 -0.273 OA +ATOM 69 CA GLN A 42 155.211 205.848 181.081 1.00 0.00 0.171 C +ATOM 70 N GLN A 42 154.123 206.809 181.244 1.00 0.00 -0.343 N +ATOM 71 CB GLN A 42 155.770 205.913 179.655 1.00 0.00 0.045 C +ATOM 72 CG GLN A 42 154.724 205.801 178.560 1.00 0.00 0.102 C +ATOM 73 CD GLN A 42 153.883 204.548 178.682 1.00 0.00 0.217 C +ATOM 74 OE1 GLN A 42 154.346 203.443 178.401 1.00 0.00 -0.275 OA +ATOM 75 NE2 GLN A 42 152.637 204.715 179.106 1.00 0.00 -0.368 N +ATOM 76 HE22 GLN A 42 152.349 205.503 179.295 1.00 0.00 0.159 HD +ATOM 77 HE21 GLN A 42 152.118 204.035 179.193 1.00 0.00 0.159 HD +ATOM 78 H GLN A 42 154.269 207.562 180.856 1.00 0.00 0.164 HD +ATOM 79 C ASN A 43 158.239 205.680 184.436 1.00 0.00 0.242 C +ATOM 80 O ASN A 43 158.953 206.566 184.905 1.00 0.00 -0.273 OA +ATOM 81 CA ASN A 43 158.433 205.211 182.996 1.00 0.00 0.180 C +ATOM 82 N ASN A 43 157.190 205.081 182.242 1.00 0.00 -0.342 N +ATOM 83 CB ASN A 43 159.378 206.171 182.270 1.00 0.00 0.134 C +ATOM 84 CG ASN A 43 159.671 205.734 180.850 1.00 0.00 0.220 C +ATOM 85 OD1 ASN A 43 160.370 204.748 180.624 1.00 0.00 -0.275 OA +ATOM 86 ND2 ASN A 43 159.141 206.470 179.881 1.00 0.00 -0.368 N +ATOM 87 HD22 ASN A 43 159.279 206.262 179.058 1.00 0.00 0.159 HD +ATOM 88 HD21 ASN A 43 158.659 207.155 180.077 1.00 0.00 0.159 HD +ATOM 89 H ASN A 43 157.063 204.292 181.923 1.00 0.00 0.164 HD +ATOM 90 C ARG A 44 156.385 206.705 186.805 1.00 0.00 0.242 C +ATOM 91 O ARG A 44 156.342 207.155 187.949 1.00 0.00 -0.273 OA +ATOM 92 CA ARG A 44 157.003 205.332 186.542 1.00 0.00 0.171 C +ATOM 93 N ARG A 44 157.269 205.079 185.122 1.00 0.00 -0.344 N +ATOM 94 CB ARG A 44 158.284 205.188 187.376 1.00 0.00 0.038 C +ATOM 95 CG ARG A 44 159.000 203.855 187.221 1.00 0.00 0.040 C +ATOM 96 CD ARG A 44 158.152 202.684 187.693 1.00 0.00 0.197 C +ATOM 97 NE ARG A 44 157.479 202.950 188.962 1.00 0.00 -0.278 N +ATOM 98 HE ARG A 44 156.637 203.124 188.938 1.00 0.00 0.260 HD +ATOM 99 CZ ARG A 44 158.074 202.943 190.150 1.00 0.00 0.339 C +ATOM 100 NH1 ARG A 44 159.373 202.692 190.251 1.00 0.00 -0.290 N +ATOM 101 NH2 ARG A 44 157.368 203.196 191.242 1.00 0.00 -0.290 N +ATOM 102 HH12 ARG A 44 159.836 202.527 189.545 1.00 0.00 0.256 HD +ATOM 103 HH11 ARG A 44 159.752 202.690 191.024 1.00 0.00 0.256 HD +ATOM 104 HH22 ARG A 44 156.526 203.361 191.181 1.00 0.00 0.256 HD +ATOM 105 HH21 ARG A 44 157.751 203.195 192.012 1.00 0.00 0.256 HD +ATOM 106 H ARG A 44 156.734 204.502 184.776 1.00 0.00 0.164 HD +ATOM 107 C GLY A 45 153.831 208.344 186.592 1.00 0.00 0.239 C +ATOM 108 O GLY A 45 153.230 207.291 186.379 1.00 0.00 -0.273 OA +ATOM 109 CA GLY A 45 155.173 208.611 185.935 1.00 0.00 0.216 C +ATOM 110 N GLY A 45 155.901 207.366 185.759 1.00 0.00 -0.346 N +ATOM 111 H GLY A 45 155.981 207.114 184.940 1.00 0.00 0.164 HD +ATOM 112 C VAL A 46 150.941 209.764 187.442 1.00 0.00 0.243 C +ATOM 113 O VAL A 46 150.914 210.980 187.257 1.00 0.00 -0.272 OA +ATOM 114 CA VAL A 46 152.122 209.108 188.150 1.00 0.00 0.173 C +ATOM 115 N VAL A 46 153.356 209.293 187.392 1.00 0.00 -0.343 N +ATOM 116 CB VAL A 46 152.242 209.683 189.577 1.00 0.00 0.015 C +ATOM 117 CG1 VAL A 46 150.994 209.363 190.390 1.00 0.00 0.010 C +ATOM 118 CG2 VAL A 46 153.476 209.128 190.267 1.00 0.00 0.010 C +ATOM 119 H VAL A 46 153.731 210.057 187.514 1.00 0.00 0.164 HD +ATOM 120 CB CYS A 47 148.101 208.356 185.552 1.00 0.00 0.116 C +ATOM 121 SG CYS A 47 146.743 208.958 184.514 1.00 0.00 -0.092 SA +ATOM 122 CA CYS A 47 148.768 209.450 186.386 1.00 0.00 0.183 C +ATOM 123 C CYS A 47 147.781 209.993 187.410 1.00 0.00 0.244 C +ATOM 124 N CYS A 47 149.966 208.948 187.049 1.00 0.00 -0.343 N +ATOM 125 O CYS A 47 147.547 209.379 188.448 1.00 0.00 -0.272 OA +ATOM 126 H CYS A 47 149.975 208.094 187.156 1.00 0.00 0.164 HD +ATOM 127 C MET A 48 145.186 212.488 187.161 1.00 0.00 0.242 C +ATOM 128 O MET A 48 145.477 213.175 186.184 1.00 0.00 -0.272 OA +ATOM 129 CA MET A 48 146.273 211.820 187.988 1.00 0.00 0.172 C +ATOM 130 N MET A 48 147.206 211.148 187.100 1.00 0.00 -0.344 N +ATOM 131 CB MET A 48 147.015 212.847 188.847 1.00 0.00 0.046 C +ATOM 132 CG MET A 48 146.134 213.896 189.520 1.00 0.00 0.072 C +ATOM 133 SD MET A 48 147.058 215.058 190.552 1.00 0.00 -0.165 SA +ATOM 134 CE MET A 48 148.603 215.228 189.658 1.00 0.00 0.085 C +ATOM 135 H MET A 48 147.346 211.571 186.364 1.00 0.00 0.164 HD +ATOM 136 C SER A 49 142.697 214.354 187.141 1.00 0.00 0.244 C +ATOM 137 O SER A 49 142.834 214.765 188.292 1.00 0.00 -0.272 OA +ATOM 138 CA SER A 49 142.817 212.868 186.826 1.00 0.00 0.197 C +ATOM 139 N SER A 49 143.933 212.283 187.550 1.00 0.00 -0.342 N +ATOM 140 CB SER A 49 141.511 212.148 187.169 1.00 0.00 0.191 C +ATOM 141 OG SER A 49 141.102 212.428 188.497 1.00 0.00 -0.392 OA +ATOM 142 HG SER A 49 140.980 213.253 188.592 1.00 0.00 0.210 HD +ATOM 143 H SER A 49 143.705 211.809 188.230 1.00 0.00 0.164 HD +ATOM 144 C VAL A 50 140.858 216.872 185.570 1.00 0.00 0.243 C +ATOM 145 O VAL A 50 140.778 216.902 184.344 1.00 0.00 -0.272 OA +ATOM 146 CA VAL A 50 142.183 216.574 186.254 1.00 0.00 0.173 C +ATOM 147 N VAL A 50 142.462 215.151 186.103 1.00 0.00 -0.343 N +ATOM 148 CB VAL A 50 143.290 217.451 185.646 1.00 0.00 0.015 C +ATOM 149 CG1 VAL A 50 143.024 218.921 185.943 1.00 0.00 0.010 C +ATOM 150 CG2 VAL A 50 144.652 217.036 186.182 1.00 0.00 0.010 C +ATOM 151 H VAL A 50 142.458 214.885 185.285 1.00 0.00 0.164 HD +ATOM 152 C GLY A 51 138.001 215.827 185.379 1.00 0.00 0.239 C +ATOM 153 O GLY A 51 138.595 214.810 185.736 1.00 0.00 -0.273 OA +ATOM 154 CA GLY A 51 138.479 217.195 185.823 1.00 0.00 0.216 C +ATOM 155 N GLY A 51 139.818 217.085 186.364 1.00 0.00 -0.346 N +ATOM 156 H GLY A 51 139.863 217.170 187.218 1.00 0.00 0.164 HD +ATOM 157 C PHE A 52 136.879 213.925 182.926 1.00 0.00 0.243 C +ATOM 158 O PHE A 52 136.674 212.741 182.662 1.00 0.00 -0.272 OA +ATOM 159 CA PHE A 52 136.309 214.535 184.206 1.00 0.00 0.175 C +ATOM 160 N PHE A 52 136.939 215.796 184.583 1.00 0.00 -0.343 N +ATOM 161 CB PHE A 52 134.804 214.739 184.037 1.00 0.00 0.070 C +ATOM 162 CG PHE A 52 134.102 215.142 185.300 1.00 0.00 -0.045 A +ATOM 163 CD1 PHE A 52 133.665 214.185 186.200 1.00 0.00 0.004 A +ATOM 164 CD2 PHE A 52 133.874 216.476 185.586 1.00 0.00 0.004 A +ATOM 165 CE1 PHE A 52 133.017 214.553 187.361 1.00 0.00 0.000 A +ATOM 166 CE2 PHE A 52 133.226 216.848 186.746 1.00 0.00 0.000 A +ATOM 167 CZ PHE A 52 132.798 215.886 187.634 1.00 0.00 0.000 A +ATOM 168 H PHE A 52 136.562 216.492 184.248 1.00 0.00 0.164 HD +ATOM 169 C ASP A 53 139.492 214.506 180.497 1.00 0.00 0.242 C +ATOM 170 O ASP A 53 139.914 214.352 179.351 1.00 0.00 -0.273 OA +ATOM 171 CA ASP A 53 138.007 214.305 180.799 1.00 0.00 0.176 C +ATOM 172 N ASP A 53 137.599 214.722 182.142 1.00 0.00 -0.343 N +ATOM 173 CB ASP A 53 137.178 215.063 179.759 1.00 0.00 0.087 C +ATOM 174 CG ASP A 53 137.348 216.566 179.865 1.00 0.00 0.044 C +ATOM 175 OD1 ASP A 53 137.844 217.037 180.911 1.00 0.00 -0.548 OA +ATOM 176 OD2 ASP A 53 136.983 217.278 178.906 1.00 0.00 -0.549 OA +ATOM 177 H ASP A 53 137.866 215.509 182.362 1.00 0.00 0.164 HD +ATOM 178 C GLN A 54 142.559 214.400 182.385 1.00 0.00 0.242 C +ATOM 179 O GLN A 54 142.101 214.171 183.506 1.00 0.00 -0.273 OA +ATOM 180 CA GLN A 54 141.711 215.066 181.309 1.00 0.00 0.171 C +ATOM 181 N GLN A 54 140.282 214.845 181.510 1.00 0.00 -0.343 N +ATOM 182 CB GLN A 54 142.020 216.563 181.264 1.00 0.00 0.045 C +ATOM 183 CG GLN A 54 141.444 217.273 180.051 1.00 0.00 0.102 C +ATOM 184 CD GLN A 54 142.227 218.517 179.680 1.00 0.00 0.217 C +ATOM 185 OE1 GLN A 54 141.674 219.613 179.605 1.00 0.00 -0.275 OA +ATOM 186 NE2 GLN A 54 143.522 218.348 179.436 1.00 0.00 -0.368 N +ATOM 187 HE22 GLN A 54 143.872 217.565 179.493 1.00 0.00 0.159 HD +ATOM 188 HE21 GLN A 54 144.010 219.023 179.222 1.00 0.00 0.159 HD +ATOM 189 H GLN A 54 140.018 214.953 182.322 1.00 0.00 0.164 HD +ATOM 190 C TYR A 55 146.052 214.275 182.944 1.00 0.00 0.243 C +ATOM 191 O TYR A 55 146.293 215.103 182.067 1.00 0.00 -0.272 OA +ATOM 192 CA TYR A 55 144.751 213.491 182.944 1.00 0.00 0.175 C +ATOM 193 N TYR A 55 143.798 214.087 182.021 1.00 0.00 -0.343 N +ATOM 194 CB TYR A 55 145.018 212.027 182.583 1.00 0.00 0.070 C +ATOM 195 CG TYR A 55 145.814 211.823 181.312 1.00 0.00 -0.045 A +ATOM 196 CD1 TYR A 55 147.200 211.744 181.342 1.00 0.00 0.007 A +ATOM 197 CD2 TYR A 55 145.178 211.693 180.084 1.00 0.00 0.007 A +ATOM 198 CE1 TYR A 55 147.930 211.551 180.186 1.00 0.00 0.046 A +ATOM 199 CE2 TYR A 55 145.901 211.499 178.924 1.00 0.00 0.046 A +ATOM 200 CZ TYR A 55 147.275 211.429 178.980 1.00 0.00 0.115 A +ATOM 201 OH TYR A 55 147.996 211.237 177.827 1.00 0.00 -0.507 OA +ATOM 202 HH TYR A 55 148.817 211.214 178.002 1.00 0.00 0.294 HD +ATOM 203 H TYR A 55 144.114 214.213 181.231 1.00 0.00 0.164 HD +ATOM 204 C LYS A 56 149.197 213.612 184.473 1.00 0.00 0.242 C +ATOM 205 O LYS A 56 148.882 212.669 185.194 1.00 0.00 -0.273 OA +ATOM 206 CA LYS A 56 148.167 214.663 184.098 1.00 0.00 0.171 C +ATOM 207 N LYS A 56 146.879 214.008 183.946 1.00 0.00 -0.344 N +ATOM 208 CB LYS A 56 148.097 215.756 185.167 1.00 0.00 0.035 C +ATOM 209 CG LYS A 56 148.647 217.104 184.732 1.00 0.00 0.008 C +ATOM 210 CD LYS A 56 150.152 217.069 184.541 1.00 0.00 0.061 C +ATOM 211 CE LYS A 56 150.682 218.429 184.120 1.00 0.00 0.258 C +ATOM 212 NZ LYS A 56 152.167 218.457 184.049 1.00 0.00 -0.357 N +ATOM 213 HZ1 LYS A 56 152.444 219.265 183.801 1.00 0.00 0.345 HD +ATOM 214 HZ2 LYS A 56 152.513 218.265 184.847 1.00 0.00 0.345 HD +ATOM 215 HZ3 LYS A 56 152.455 217.857 183.457 1.00 0.00 0.345 HD +ATOM 216 H LYS A 56 146.710 213.436 184.566 1.00 0.00 0.164 HD +ATOM 217 CB CYS A 57 152.106 212.237 183.048 1.00 0.00 0.116 C +ATOM 218 SG CYS A 57 151.009 211.057 182.233 1.00 0.00 -0.092 SA +ATOM 219 CA CYS A 57 151.506 212.856 184.309 1.00 0.00 0.183 C +ATOM 220 C CYS A 57 152.586 213.577 185.099 1.00 0.00 0.244 C +ATOM 221 N CYS A 57 150.417 213.764 183.971 1.00 0.00 -0.343 N +ATOM 222 O CYS A 57 153.145 214.573 184.644 1.00 0.00 -0.272 OA +ATOM 223 H CYS A 57 150.642 214.391 183.427 1.00 0.00 0.164 HD +ATOM 224 C ASP A 58 155.228 212.885 186.801 1.00 0.00 0.242 C +ATOM 225 O ASP A 58 155.409 211.712 187.126 1.00 0.00 -0.273 OA +ATOM 226 CA ASP A 58 153.920 213.592 187.140 1.00 0.00 0.176 C +ATOM 227 N ASP A 58 152.859 213.066 186.294 1.00 0.00 -0.343 N +ATOM 228 CB ASP A 58 153.566 213.403 188.613 1.00 0.00 0.087 C +ATOM 229 CG ASP A 58 154.517 214.127 189.540 1.00 0.00 0.044 C +ATOM 230 OD1 ASP A 58 155.528 214.679 189.059 1.00 0.00 -0.548 OA +ATOM 231 OD2 ASP A 58 154.252 214.139 190.758 1.00 0.00 -0.549 OA +ATOM 232 H ASP A 58 152.436 212.404 186.641 1.00 0.00 0.164 HD +ATOM 233 CB CYS A 59 157.693 213.666 184.263 1.00 0.00 0.116 C +ATOM 234 SG CYS A 59 156.506 213.308 182.949 1.00 0.00 -0.092 SA +ATOM 235 CA CYS A 59 157.356 213.023 185.611 1.00 0.00 0.183 C +ATOM 236 C CYS A 59 158.543 213.174 186.560 1.00 0.00 0.244 C +ATOM 237 N CYS A 59 156.130 213.607 186.145 1.00 0.00 -0.343 N +ATOM 238 O CYS A 59 159.679 212.893 186.186 1.00 0.00 -0.272 OA +ATOM 239 H CYS A 59 156.054 214.451 185.994 1.00 0.00 0.164 HD +ATOM 240 C THR A 60 160.290 212.733 188.959 1.00 0.00 0.245 C +ATOM 241 O THR A 60 159.901 211.622 189.316 1.00 0.00 -0.273 OA +ATOM 242 CA THR A 60 159.309 213.891 188.770 1.00 0.00 0.199 C +ATOM 243 N THR A 60 158.268 213.610 187.785 1.00 0.00 -0.341 N +ATOM 244 CB THR A 60 158.681 214.240 190.134 1.00 0.00 0.143 C +ATOM 245 CG2 THR A 60 159.755 214.521 191.183 1.00 0.00 0.041 C +ATOM 246 OG1 THR A 60 157.851 215.399 189.990 1.00 0.00 -0.389 OA +ATOM 247 HG1 THR A 60 157.240 215.247 189.434 1.00 0.00 0.211 HD +ATOM 248 H THR A 60 157.471 213.754 188.075 1.00 0.00 0.164 HD +ATOM 249 C ARG A 61 162.499 210.751 188.172 1.00 0.00 0.242 C +ATOM 250 O ARG A 61 163.055 209.731 188.573 1.00 0.00 -0.273 OA +ATOM 251 CA ARG A 61 162.664 212.076 188.924 1.00 0.00 0.171 C +ATOM 252 N ARG A 61 161.565 213.017 188.706 1.00 0.00 -0.344 N +ATOM 253 CB ARG A 61 162.828 211.807 190.423 1.00 0.00 0.038 C +ATOM 254 CG ARG A 61 163.348 213.004 191.197 1.00 0.00 0.040 C +ATOM 255 CD ARG A 61 163.608 212.666 192.654 1.00 0.00 0.197 C +ATOM 256 NE ARG A 61 162.371 212.434 193.392 1.00 0.00 -0.278 N +ATOM 257 HE ARG A 61 162.134 211.619 193.532 1.00 0.00 0.260 HD +ATOM 258 CZ ARG A 61 161.588 213.398 193.863 1.00 0.00 0.339 C +ATOM 259 NH1 ARG A 61 161.902 214.673 193.670 1.00 0.00 -0.290 N +ATOM 260 NH2 ARG A 61 160.482 213.090 194.523 1.00 0.00 -0.290 N +ATOM 261 HH12 ARG A 61 162.618 214.879 193.241 1.00 0.00 0.256 HD +ATOM 262 HH11 ARG A 61 161.390 215.293 193.975 1.00 0.00 0.256 HD +ATOM 263 HH22 ARG A 61 160.273 212.265 194.650 1.00 0.00 0.256 HD +ATOM 264 HH21 ARG A 61 159.974 213.714 194.826 1.00 0.00 0.256 HD +ATOM 265 H ARG A 61 161.828 213.776 188.397 1.00 0.00 0.164 HD +ATOM 266 C THR A 62 162.693 209.435 185.221 1.00 0.00 0.245 C +ATOM 267 O THR A 62 162.958 208.335 184.739 1.00 0.00 -0.273 OA +ATOM 268 CA THR A 62 161.575 209.584 186.248 1.00 0.00 0.199 C +ATOM 269 N THR A 62 161.757 210.776 187.071 1.00 0.00 -0.341 N +ATOM 270 CB THR A 62 160.232 209.610 185.499 1.00 0.00 0.143 C +ATOM 271 CG2 THR A 62 159.071 209.604 186.483 1.00 0.00 0.041 C +ATOM 272 OG1 THR A 62 160.160 210.780 184.674 1.00 0.00 -0.389 OA +ATOM 273 HG1 THR A 62 160.224 211.470 185.148 1.00 0.00 0.211 HD +ATOM 274 H THR A 62 161.346 211.472 186.778 1.00 0.00 0.164 HD +ATOM 275 C GLY A 63 163.766 210.931 182.510 1.00 0.00 0.239 C +ATOM 276 O GLY A 63 164.478 211.016 181.510 1.00 0.00 -0.273 OA +ATOM 277 CA GLY A 63 164.361 210.567 183.858 1.00 0.00 0.216 C +ATOM 278 N GLY A 63 163.347 210.546 184.895 1.00 0.00 -0.346 N +ATOM 279 H GLY A 63 163.215 211.310 185.267 1.00 0.00 0.164 HD +ATOM 280 C PHE A 64 160.872 212.718 181.501 1.00 0.00 0.243 C +ATOM 281 O PHE A 64 160.620 213.103 182.642 1.00 0.00 -0.272 OA +ATOM 282 CA PHE A 64 161.735 211.484 181.268 1.00 0.00 0.175 C +ATOM 283 N PHE A 64 162.454 211.142 182.489 1.00 0.00 -0.343 N +ATOM 284 CB PHE A 64 160.858 210.317 180.806 1.00 0.00 0.070 C +ATOM 285 CG PHE A 64 161.618 209.047 180.541 1.00 0.00 -0.045 A +ATOM 286 CD1 PHE A 64 162.154 208.312 181.584 1.00 0.00 0.004 A +ATOM 287 CD2 PHE A 64 161.777 208.577 179.248 1.00 0.00 0.004 A +ATOM 288 CE1 PHE A 64 162.847 207.146 181.342 1.00 0.00 0.000 A +ATOM 289 CE2 PHE A 64 162.468 207.408 179.002 1.00 0.00 0.000 A +ATOM 290 CZ PHE A 64 163.002 206.692 180.050 1.00 0.00 0.000 A +ATOM 291 H PHE A 64 161.949 211.092 183.183 1.00 0.00 0.164 HD +ATOM 292 C TYR A 65 158.520 214.317 179.294 1.00 0.00 0.243 C +ATOM 293 O TYR A 65 158.617 213.382 178.503 1.00 0.00 -0.272 OA +ATOM 294 CA TYR A 65 159.490 214.442 180.462 1.00 0.00 0.175 C +ATOM 295 N TYR A 65 160.434 213.335 180.409 1.00 0.00 -0.343 N +ATOM 296 CB TYR A 65 160.216 215.787 180.422 1.00 0.00 0.070 C +ATOM 297 CG TYR A 65 161.055 215.993 179.185 1.00 0.00 -0.045 A +ATOM 298 CD1 TYR A 65 162.388 215.609 179.156 1.00 0.00 0.007 A +ATOM 299 CD2 TYR A 65 160.515 216.573 178.045 1.00 0.00 0.007 A +ATOM 300 CE1 TYR A 65 163.161 215.796 178.026 1.00 0.00 0.046 A +ATOM 301 CE2 TYR A 65 161.281 216.764 176.909 1.00 0.00 0.046 A +ATOM 302 CZ TYR A 65 162.603 216.374 176.905 1.00 0.00 0.115 A +ATOM 303 OH TYR A 65 163.369 216.562 175.777 1.00 0.00 -0.507 OA +ATOM 304 HH TYR A 65 162.908 216.921 175.174 1.00 0.00 0.294 HD +ATOM 305 H TYR A 65 160.675 213.125 179.610 1.00 0.00 0.164 HD +ATOM 306 C GLY A 66 155.225 214.863 178.709 1.00 0.00 0.239 C +ATOM 307 O GLY A 66 155.097 214.578 179.899 1.00 0.00 -0.273 OA +ATOM 308 CA GLY A 66 156.582 215.235 178.149 1.00 0.00 0.216 C +ATOM 309 N GLY A 66 157.588 215.259 179.193 1.00 0.00 -0.346 N +ATOM 310 H GLY A 66 157.520 215.930 179.727 1.00 0.00 0.164 HD +ATOM 311 C GLU A 67 152.701 213.240 178.944 1.00 0.00 0.242 C +ATOM 312 O GLU A 67 152.034 213.117 179.969 1.00 0.00 -0.273 OA +ATOM 313 CA GLU A 67 152.842 214.602 178.273 1.00 0.00 0.171 C +ATOM 314 N GLU A 67 154.214 214.858 177.847 1.00 0.00 -0.344 N +ATOM 315 CB GLU A 67 151.886 214.691 177.082 1.00 0.00 0.041 C +ATOM 316 CG GLU A 67 150.416 214.568 177.464 1.00 0.00 0.055 C +ATOM 317 CD GLU A 67 149.486 214.643 176.269 1.00 0.00 0.041 C +ATOM 318 OE1 GLU A 67 149.949 215.009 175.167 1.00 0.00 -0.548 OA +ATOM 319 OE2 GLU A 67 148.287 214.333 176.434 1.00 0.00 -0.549 OA +ATOM 320 H GLU A 67 154.296 215.002 177.003 1.00 0.00 0.164 HD +ATOM 321 C ASN A 68 154.580 210.361 179.444 1.00 0.00 0.242 C +ATOM 322 O ASN A 68 154.793 209.156 179.567 1.00 0.00 -0.273 OA +ATOM 323 CA ASN A 68 153.251 210.858 178.875 1.00 0.00 0.180 C +ATOM 324 N ASN A 68 153.330 212.223 178.360 1.00 0.00 -0.342 N +ATOM 325 CB ASN A 68 152.776 209.908 177.771 1.00 0.00 0.134 C +ATOM 326 CG ASN A 68 151.365 210.213 177.306 1.00 0.00 0.220 C +ATOM 327 OD1 ASN A 68 150.501 210.576 178.103 1.00 0.00 -0.275 OA +ATOM 328 ND2 ASN A 68 151.124 210.063 176.010 1.00 0.00 -0.368 N +ATOM 329 HD22 ASN A 68 150.340 210.223 175.697 1.00 0.00 0.159 HD +ATOM 330 HD21 ASN A 68 151.753 209.805 175.483 1.00 0.00 0.159 HD +ATOM 331 H ASN A 68 153.816 212.300 177.655 1.00 0.00 0.164 HD +ATOM 332 CB CYS A 69 156.614 210.308 181.741 1.00 0.00 0.116 C +ATOM 333 SG CYS A 69 155.873 211.377 183.001 1.00 0.00 -0.092 SA +ATOM 334 CA CYS A 69 156.771 210.947 180.355 1.00 0.00 0.183 C +ATOM 335 C CYS A 69 157.536 210.001 179.433 1.00 0.00 0.244 C +ATOM 336 N CYS A 69 155.465 211.291 179.794 1.00 0.00 -0.343 N +ATOM 337 O CYS A 69 158.149 209.038 179.893 1.00 0.00 -0.272 OA +ATOM 338 H CYS A 69 155.332 212.137 179.715 1.00 0.00 0.164 HD +ATOM 339 C SER A 70 159.399 209.869 176.584 1.00 0.00 0.244 C +ATOM 340 O SER A 70 160.208 209.067 176.116 1.00 0.00 -0.272 OA +ATOM 341 CA SER A 70 158.058 209.388 177.127 1.00 0.00 0.197 C +ATOM 342 N SER A 70 157.499 210.285 178.135 1.00 0.00 -0.342 N +ATOM 343 CB SER A 70 157.070 209.223 175.973 1.00 0.00 0.191 C +ATOM 344 OG SER A 70 155.887 208.579 176.410 1.00 0.00 -0.392 OA +ATOM 345 HG SER A 70 155.352 208.494 175.768 1.00 0.00 0.210 HD +ATOM 346 H SER A 70 157.152 211.001 177.808 1.00 0.00 0.164 HD +ATOM 347 C THR A 71 161.990 211.706 177.134 1.00 0.00 0.245 C +ATOM 348 O THR A 71 161.904 212.351 178.175 1.00 0.00 -0.273 OA +ATOM 349 CA THR A 71 160.858 211.757 176.105 1.00 0.00 0.199 C +ATOM 350 N THR A 71 159.634 211.175 176.646 1.00 0.00 -0.341 N +ATOM 351 CB THR A 71 160.642 213.213 175.681 1.00 0.00 0.143 C +ATOM 352 CG2 THR A 71 161.811 213.704 174.838 1.00 0.00 0.041 C +ATOM 353 OG1 THR A 71 159.430 213.315 174.924 1.00 0.00 -0.389 OA +ATOM 354 HG1 THR A 71 159.304 214.111 174.688 1.00 0.00 0.211 HD +ATOM 355 H THR A 71 159.099 211.749 176.998 1.00 0.00 0.164 HD +ATOM 356 C PRO A 72 164.988 212.106 177.936 1.00 0.00 0.243 C +ATOM 357 O PRO A 72 165.149 212.829 176.955 1.00 0.00 -0.271 OA +ATOM 358 CA PRO A 72 164.157 210.835 177.820 1.00 0.00 0.175 C +ATOM 359 N PRO A 72 163.065 210.948 176.845 1.00 0.00 -0.329 N +ATOM 360 CB PRO A 72 165.003 209.693 177.260 1.00 0.00 0.037 C +ATOM 361 CG PRO A 72 164.783 209.762 175.798 1.00 0.00 0.024 C +ATOM 362 CD PRO A 72 163.354 210.186 175.617 1.00 0.00 0.121 C +ATOM 363 C GLU A 73 167.797 213.058 178.730 1.00 0.00 0.242 C +ATOM 364 O GLU A 73 167.979 211.911 178.318 1.00 0.00 -0.273 OA +ATOM 365 CA GLU A 73 166.451 213.461 179.322 1.00 0.00 0.171 C +ATOM 366 N GLU A 73 165.509 212.369 179.128 1.00 0.00 -0.344 N +ATOM 367 CB GLU A 73 166.586 213.804 180.805 1.00 0.00 0.041 C +ATOM 368 CG GLU A 73 165.284 214.263 181.444 1.00 0.00 0.055 C +ATOM 369 CD GLU A 73 165.398 214.462 182.943 1.00 0.00 0.041 C +ATOM 370 OE1 GLU A 73 166.302 213.862 183.561 1.00 0.00 -0.548 OA +ATOM 371 OE2 GLU A 73 164.581 215.222 183.503 1.00 0.00 -0.549 OA +ATOM 372 H GLU A 73 165.332 211.927 179.845 1.00 0.00 0.164 HD +ATOM 373 C PHE A 74 170.760 212.579 178.723 1.00 0.00 0.243 C +ATOM 374 O PHE A 74 171.256 211.680 178.045 1.00 0.00 -0.272 OA +ATOM 375 CA PHE A 74 170.031 213.745 178.060 1.00 0.00 0.175 C +ATOM 376 N PHE A 74 168.737 213.996 178.684 1.00 0.00 -0.343 N +ATOM 377 CB PHE A 74 170.900 215.004 178.111 1.00 0.00 0.070 C +ATOM 378 CG PHE A 74 172.261 214.820 177.507 1.00 0.00 -0.045 A +ATOM 379 CD1 PHE A 74 173.398 214.875 178.294 1.00 0.00 0.004 A +ATOM 380 CD2 PHE A 74 172.401 214.572 176.154 1.00 0.00 0.004 A +ATOM 381 CE1 PHE A 74 174.649 214.698 177.737 1.00 0.00 0.000 A +ATOM 382 CE2 PHE A 74 173.648 214.394 175.596 1.00 0.00 0.000 A +ATOM 383 CZ PHE A 74 174.773 214.457 176.388 1.00 0.00 0.000 A +ATOM 384 H PHE A 74 168.649 214.788 179.008 1.00 0.00 0.164 HD +ATOM 385 C LEU A 75 170.779 210.186 180.591 1.00 0.00 0.243 C +ATOM 386 O LEU A 75 171.435 209.153 180.457 1.00 0.00 -0.272 OA +ATOM 387 CA LEU A 75 171.471 211.526 180.803 1.00 0.00 0.172 C +ATOM 388 N LEU A 75 170.823 212.596 180.050 1.00 0.00 -0.345 N +ATOM 389 CB LEU A 75 171.492 211.862 182.294 1.00 0.00 0.038 C +ATOM 390 CG LEU A 75 172.624 212.756 182.816 1.00 0.00 -0.015 C +ATOM 391 CD1 LEU A 75 173.189 213.689 181.748 1.00 0.00 0.007 C +ATOM 392 CD2 LEU A 75 172.132 213.551 184.019 1.00 0.00 0.007 C +ATOM 393 H LEU A 75 170.496 213.221 180.542 1.00 0.00 0.165 HD +ATOM 394 C THR A 76 168.957 208.331 179.068 1.00 0.00 0.245 C +ATOM 395 O THR A 76 168.979 207.106 178.975 1.00 0.00 -0.273 OA +ATOM 396 CA THR A 76 168.664 209.000 180.406 1.00 0.00 0.199 C +ATOM 397 N THR A 76 169.452 210.214 180.565 1.00 0.00 -0.341 N +ATOM 398 CB THR A 76 167.160 209.298 180.512 1.00 0.00 0.143 C +ATOM 399 CG2 THR A 76 166.347 208.010 180.474 1.00 0.00 0.041 C +ATOM 400 OG1 THR A 76 166.900 209.990 181.738 1.00 0.00 -0.389 OA +ATOM 401 HG1 THR A 76 166.079 210.157 181.805 1.00 0.00 0.211 HD +ATOM 402 H THR A 76 168.981 210.929 180.639 1.00 0.00 0.164 HD +ATOM 403 C ARG A 77 170.836 207.834 176.773 1.00 0.00 0.242 C +ATOM 404 O ARG A 77 170.945 206.768 176.171 1.00 0.00 -0.273 OA +ATOM 405 CA ARG A 77 169.543 208.627 176.719 1.00 0.00 0.171 C +ATOM 406 N ARG A 77 169.180 209.141 178.036 1.00 0.00 -0.344 N +ATOM 407 CB ARG A 77 169.689 209.768 175.713 1.00 0.00 0.038 C +ATOM 408 CG ARG A 77 168.394 210.145 175.039 1.00 0.00 0.040 C +ATOM 409 CD ARG A 77 168.600 211.178 173.949 1.00 0.00 0.197 C +ATOM 410 NE ARG A 77 167.316 211.669 173.463 1.00 0.00 -0.278 N +ATOM 411 HE ARG A 77 167.102 212.482 173.643 1.00 0.00 0.260 HD +ATOM 412 CZ ARG A 77 166.484 210.960 172.709 1.00 0.00 0.339 C +ATOM 413 NH1 ARG A 77 166.799 209.722 172.346 1.00 0.00 -0.290 N +ATOM 414 NH2 ARG A 77 165.333 211.487 172.318 1.00 0.00 -0.290 N +ATOM 415 HH12 ARG A 77 167.544 209.377 172.600 1.00 0.00 0.256 HD +ATOM 416 HH11 ARG A 77 166.258 209.267 171.857 1.00 0.00 0.256 HD +ATOM 417 HH22 ARG A 77 165.127 212.289 172.550 1.00 0.00 0.256 HD +ATOM 418 HH21 ARG A 77 164.795 211.029 171.827 1.00 0.00 0.256 HD +ATOM 419 H ARG A 77 169.126 209.998 178.074 1.00 0.00 0.164 HD +ATOM 420 C ILE A 78 172.993 206.404 178.357 1.00 0.00 0.243 C +ATOM 421 O ILE A 78 173.480 205.377 177.889 1.00 0.00 -0.272 OA +ATOM 422 CA ILE A 78 173.115 207.724 177.607 1.00 0.00 0.174 C +ATOM 423 N ILE A 78 171.816 208.367 177.493 1.00 0.00 -0.343 N +ATOM 424 CB ILE A 78 174.133 208.639 178.315 1.00 0.00 0.018 C +ATOM 425 CG2 ILE A 78 175.448 207.896 178.562 1.00 0.00 0.010 C +ATOM 426 CG1 ILE A 78 174.372 209.891 177.463 1.00 0.00 0.002 C +ATOM 427 CD1 ILE A 78 175.328 210.900 178.067 1.00 0.00 0.004 C +ATOM 428 H ILE A 78 171.751 209.106 177.928 1.00 0.00 0.164 HD +ATOM 429 C LYS A 79 171.408 204.163 179.495 1.00 0.00 0.242 C +ATOM 430 O LYS A 79 171.841 203.012 179.442 1.00 0.00 -0.273 OA +ATOM 431 CA LYS A 79 172.129 205.230 180.311 1.00 0.00 0.171 C +ATOM 432 N LYS A 79 172.345 206.437 179.517 1.00 0.00 -0.344 N +ATOM 433 CB LYS A 79 171.325 205.552 181.571 1.00 0.00 0.035 C +ATOM 434 CG LYS A 79 172.073 206.393 182.591 1.00 0.00 0.008 C +ATOM 435 CD LYS A 79 171.121 207.051 183.579 1.00 0.00 0.061 C +ATOM 436 CE LYS A 79 170.269 206.031 184.320 1.00 0.00 0.258 C +ATOM 437 NZ LYS A 79 169.370 206.682 185.313 1.00 0.00 -0.357 N +ATOM 438 HZ1 LYS A 79 168.884 206.066 185.733 1.00 0.00 0.345 HD +ATOM 439 HZ2 LYS A 79 169.853 207.127 185.914 1.00 0.00 0.345 HD +ATOM 440 HZ3 LYS A 79 168.824 207.251 184.902 1.00 0.00 0.345 HD +ATOM 441 H LYS A 79 172.018 207.150 179.870 1.00 0.00 0.164 HD +ATOM 442 C LEU A 80 170.346 202.993 176.945 1.00 0.00 0.243 C +ATOM 443 O LEU A 80 170.124 201.836 176.589 1.00 0.00 -0.272 OA +ATOM 444 CA LEU A 80 169.516 203.646 178.041 1.00 0.00 0.172 C +ATOM 445 N LEU A 80 170.310 204.558 178.859 1.00 0.00 -0.345 N +ATOM 446 CB LEU A 80 168.337 204.389 177.412 1.00 0.00 0.038 C +ATOM 447 CG LEU A 80 167.026 204.372 178.199 1.00 0.00 -0.015 C +ATOM 448 CD1 LEU A 80 166.053 205.392 177.632 1.00 0.00 0.007 C +ATOM 449 CD2 LEU A 80 166.411 202.978 178.176 1.00 0.00 0.007 C +ATOM 450 H LEU A 80 169.999 205.360 178.885 1.00 0.00 0.165 HD +ATOM 451 C PHE A 81 173.206 202.316 175.749 1.00 0.00 0.243 C +ATOM 452 O PHE A 81 173.634 201.452 174.987 1.00 0.00 -0.272 OA +ATOM 453 CA PHE A 81 172.111 203.277 175.296 1.00 0.00 0.175 C +ATOM 454 N PHE A 81 171.303 203.743 176.413 1.00 0.00 -0.343 N +ATOM 455 CB PHE A 81 172.727 204.469 174.563 1.00 0.00 0.070 C +ATOM 456 CG PHE A 81 173.652 204.081 173.449 1.00 0.00 -0.045 A +ATOM 457 CD1 PHE A 81 173.150 203.672 172.225 1.00 0.00 0.004 A +ATOM 458 CD2 PHE A 81 175.025 204.124 173.624 1.00 0.00 0.004 A +ATOM 459 CE1 PHE A 81 174.000 203.314 171.198 1.00 0.00 0.000 A +ATOM 460 CE2 PHE A 81 175.878 203.768 172.600 1.00 0.00 0.000 A +ATOM 461 CZ PHE A 81 175.366 203.362 171.386 1.00 0.00 0.000 A +ATOM 462 H PHE A 81 171.505 204.534 176.684 1.00 0.00 0.164 HD +ATOM 463 C LEU A 82 174.189 200.454 178.338 1.00 0.00 0.243 C +ATOM 464 O LEU A 82 174.930 199.517 178.636 1.00 0.00 -0.272 OA +ATOM 465 CA LEU A 82 174.726 201.633 177.530 1.00 0.00 0.172 C +ATOM 466 N LEU A 82 173.654 202.466 176.992 1.00 0.00 -0.345 N +ATOM 467 CB LEU A 82 175.663 202.474 178.401 1.00 0.00 0.038 C +ATOM 468 CG LEU A 82 176.335 203.666 177.708 1.00 0.00 -0.015 C +ATOM 469 CD1 LEU A 82 177.295 204.362 178.660 1.00 0.00 0.007 C +ATOM 470 CD2 LEU A 82 177.056 203.240 176.434 1.00 0.00 0.007 C +ATOM 471 H LEU A 82 173.351 203.047 177.548 1.00 0.00 0.165 HD +ATOM 472 C LYS A 83 172.119 198.162 178.641 1.00 0.00 0.242 C +ATOM 473 O LYS A 83 171.475 198.199 177.595 1.00 0.00 -0.273 OA +ATOM 474 CA LYS A 83 172.299 199.434 179.475 1.00 0.00 0.171 C +ATOM 475 N LYS A 83 172.908 200.498 178.684 1.00 0.00 -0.344 N +ATOM 476 CB LYS A 83 170.947 199.885 180.028 1.00 0.00 0.035 C +ATOM 477 CG LYS A 83 170.305 198.875 180.971 1.00 0.00 0.008 C +ATOM 478 CD LYS A 83 169.108 199.468 181.695 1.00 0.00 0.061 C +ATOM 479 CE LYS A 83 168.536 198.491 182.711 1.00 0.00 0.258 C +ATOM 480 NZ LYS A 83 167.614 197.501 182.090 1.00 0.00 -0.357 N +ATOM 481 HZ1 LYS A 83 167.299 196.947 182.711 1.00 0.00 0.345 HD +ATOM 482 HZ2 LYS A 83 166.931 197.921 181.704 1.00 0.00 0.345 HD +ATOM 483 HZ3 LYS A 83 168.048 197.027 181.473 1.00 0.00 0.345 HD +ATOM 484 H LYS A 83 172.368 201.133 178.474 1.00 0.00 0.164 HD +ATOM 485 C PRO A 84 171.138 195.114 178.719 1.00 0.00 0.243 C +ATOM 486 O PRO A 84 170.638 195.317 179.825 1.00 0.00 -0.271 OA +ATOM 487 CA PRO A 84 172.465 195.774 178.361 1.00 0.00 0.175 C +ATOM 488 N PRO A 84 172.680 197.025 179.098 1.00 0.00 -0.329 N +ATOM 489 CB PRO A 84 173.647 194.896 178.800 1.00 0.00 0.037 C +ATOM 490 CG PRO A 84 174.346 195.648 179.917 1.00 0.00 0.024 C +ATOM 491 CD PRO A 84 173.493 196.803 180.303 1.00 0.00 0.121 C +ATOM 492 C THR A 85 169.520 192.583 179.144 1.00 0.00 0.245 C +ATOM 493 O THR A 85 170.582 191.970 179.218 1.00 0.00 -0.273 OA +ATOM 494 CA THR A 85 169.320 193.645 178.060 1.00 0.00 0.199 C +ATOM 495 N THR A 85 170.577 194.337 177.798 1.00 0.00 -0.341 N +ATOM 496 CB THR A 85 168.760 192.971 176.791 1.00 0.00 0.143 C +ATOM 497 CG2 THR A 85 168.461 194.003 175.719 1.00 0.00 0.041 C +ATOM 498 OG1 THR A 85 169.708 192.021 176.284 1.00 0.00 -0.389 OA +ATOM 499 HG1 THR A 85 169.404 191.653 175.592 1.00 0.00 0.211 HD +ATOM 500 H THR A 85 170.904 194.195 177.016 1.00 0.00 0.164 HD +ATOM 501 C PRO A 86 168.987 189.964 180.478 1.00 0.00 0.243 C +ATOM 502 O PRO A 86 169.737 189.231 181.123 1.00 0.00 -0.271 OA +ATOM 503 CA PRO A 86 168.601 191.332 181.036 1.00 0.00 0.175 C +ATOM 504 N PRO A 86 168.504 192.369 180.000 1.00 0.00 -0.329 N +ATOM 505 CB PRO A 86 167.192 191.305 181.628 1.00 0.00 0.037 C +ATOM 506 CG PRO A 86 166.688 192.684 181.430 1.00 0.00 0.024 C +ATOM 507 CD PRO A 86 167.257 193.145 180.122 1.00 0.00 0.121 C +ATOM 508 C ASN A 87 170.318 188.297 178.340 1.00 0.00 0.242 C +ATOM 509 O ASN A 87 170.908 187.217 178.385 1.00 0.00 -0.273 OA +ATOM 510 CA ASN A 87 168.826 188.378 178.635 1.00 0.00 0.180 C +ATOM 511 N ASN A 87 168.478 189.631 179.295 1.00 0.00 -0.342 N +ATOM 512 CB ASN A 87 168.028 188.219 177.341 1.00 0.00 0.134 C +ATOM 513 CG ASN A 87 166.572 187.881 177.592 1.00 0.00 0.220 C +ATOM 514 OD1 ASN A 87 166.125 187.820 178.737 1.00 0.00 -0.275 OA +ATOM 515 ND2 ASN A 87 165.823 187.665 176.519 1.00 0.00 -0.368 N +ATOM 516 HD22 ASN A 87 164.990 187.470 176.608 1.00 0.00 0.159 HD +ATOM 517 HD21 ASN A 87 166.169 187.721 175.734 1.00 0.00 0.159 HD +ATOM 518 H ASN A 87 167.925 190.118 178.852 1.00 0.00 0.164 HD +ATOM 519 C THR A 88 173.104 189.314 179.118 1.00 0.00 0.245 C +ATOM 520 O THR A 88 174.040 188.519 179.199 1.00 0.00 -0.273 OA +ATOM 521 CA THR A 88 172.361 189.512 177.804 1.00 0.00 0.199 C +ATOM 522 N THR A 88 170.922 189.441 178.037 1.00 0.00 -0.341 N +ATOM 523 CB THR A 88 172.769 190.863 177.169 1.00 0.00 0.143 C +ATOM 524 CG2 THR A 88 174.286 191.034 177.155 1.00 0.00 0.041 C +ATOM 525 OG1 THR A 88 172.276 190.928 175.825 1.00 0.00 -0.389 OA +ATOM 526 HG1 THR A 88 171.439 190.864 175.823 1.00 0.00 0.211 HD +ATOM 527 H THR A 88 170.518 190.196 177.960 1.00 0.00 0.164 HD +ATOM 528 C VAL A 89 173.154 188.478 181.968 1.00 0.00 0.243 C +ATOM 529 O VAL A 89 174.094 187.950 182.562 1.00 0.00 -0.272 OA +ATOM 530 CA VAL A 89 173.248 189.918 181.478 1.00 0.00 0.173 C +ATOM 531 N VAL A 89 172.679 190.048 180.142 1.00 0.00 -0.343 N +ATOM 532 CB VAL A 89 172.533 190.845 182.486 1.00 0.00 0.015 C +ATOM 533 CG1 VAL A 89 173.075 190.642 183.897 1.00 0.00 0.010 C +ATOM 534 CG2 VAL A 89 172.683 192.295 182.066 1.00 0.00 0.010 C +ATOM 535 H VAL A 89 172.053 190.635 180.088 1.00 0.00 0.164 HD +ATOM 536 C HIS A 90 172.701 185.507 181.415 1.00 0.00 0.242 C +ATOM 537 O HIS A 90 173.205 184.552 182.004 1.00 0.00 -0.272 OA +ATOM 538 CA HIS A 90 171.790 186.478 182.156 1.00 0.00 0.177 C +ATOM 539 N HIS A 90 172.012 187.848 181.717 1.00 0.00 -0.343 N +ATOM 540 CB HIS A 90 170.329 186.076 181.955 1.00 0.00 0.093 C +ATOM 541 CG HIS A 90 170.019 184.689 182.425 1.00 0.00 0.061 A +ATOM 542 ND1 HIS A 90 170.121 183.585 181.607 1.00 0.00 -0.242 NA +ATOM 543 CD2 HIS A 90 169.620 184.226 183.633 1.00 0.00 0.107 A +ATOM 544 CE1 HIS A 90 169.792 182.502 182.289 1.00 0.00 0.196 A +ATOM 545 NE2 HIS A 90 169.483 182.864 183.521 1.00 0.00 -0.350 N +ATOM 546 HE2 HIS A 90 169.237 182.333 184.151 1.00 0.00 0.167 HD +ATOM 547 H HIS A 90 171.348 188.195 181.294 1.00 0.00 0.164 HD +ATOM 548 C TYR A 91 175.216 185.000 179.901 1.00 0.00 0.243 C +ATOM 549 O TYR A 91 175.882 183.982 180.083 1.00 0.00 -0.272 OA +ATOM 550 CA TYR A 91 173.809 184.927 179.329 1.00 0.00 0.175 C +ATOM 551 N TYR A 91 172.904 185.749 180.124 1.00 0.00 -0.343 N +ATOM 552 CB TYR A 91 173.819 185.378 177.867 1.00 0.00 0.070 C +ATOM 553 CG TYR A 91 174.803 184.613 177.008 1.00 0.00 -0.045 A +ATOM 554 CD1 TYR A 91 174.402 183.500 176.283 1.00 0.00 0.007 A +ATOM 555 CD2 TYR A 91 176.136 184.999 176.931 1.00 0.00 0.007 A +ATOM 556 CE1 TYR A 91 175.298 182.795 175.504 1.00 0.00 0.046 A +ATOM 557 CE2 TYR A 91 177.039 184.299 176.155 1.00 0.00 0.046 A +ATOM 558 CZ TYR A 91 176.614 183.198 175.443 1.00 0.00 0.115 A +ATOM 559 OH TYR A 91 177.509 182.498 174.667 1.00 0.00 -0.507 OA +ATOM 560 HH TYR A 91 178.271 182.848 174.719 1.00 0.00 0.294 HD +ATOM 561 H TYR A 91 172.527 186.385 179.683 1.00 0.00 0.164 HD +ATOM 562 C ILE A 92 177.194 185.797 182.057 1.00 0.00 0.243 C +ATOM 563 O ILE A 92 178.249 185.223 182.326 1.00 0.00 -0.272 OA +ATOM 564 CA ILE A 92 176.994 186.468 180.701 1.00 0.00 0.174 C +ATOM 565 N ILE A 92 175.659 186.221 180.177 1.00 0.00 -0.343 N +ATOM 566 CB ILE A 92 177.253 187.984 180.820 1.00 0.00 0.018 C +ATOM 567 CG2 ILE A 92 178.513 188.275 181.639 1.00 0.00 0.010 C +ATOM 568 CG1 ILE A 92 177.385 188.595 179.423 1.00 0.00 0.002 C +ATOM 569 CD1 ILE A 92 177.160 190.085 179.381 1.00 0.00 0.004 C +ATOM 570 H ILE A 92 175.195 186.936 180.065 1.00 0.00 0.164 HD +ATOM 571 C LEU A 93 176.161 183.810 184.281 1.00 0.00 0.243 C +ATOM 572 O LEU A 93 176.622 183.169 185.224 1.00 0.00 -0.272 OA +ATOM 573 CA LEU A 93 176.267 185.332 184.258 1.00 0.00 0.172 C +ATOM 574 N LEU A 93 176.175 185.872 182.906 1.00 0.00 -0.345 N +ATOM 575 CB LEU A 93 175.182 185.945 185.147 1.00 0.00 0.038 C +ATOM 576 CG LEU A 93 175.511 187.326 185.718 1.00 0.00 -0.015 C +ATOM 577 CD1 LEU A 93 174.256 188.025 186.200 1.00 0.00 0.007 C +ATOM 578 CD2 LEU A 93 176.513 187.202 186.852 1.00 0.00 0.007 C +ATOM 579 H LEU A 93 175.416 186.232 182.723 1.00 0.00 0.165 HD +ATOM 580 C THR A 94 176.345 181.126 182.198 1.00 0.00 0.245 C +ATOM 581 O THR A 94 176.210 179.946 181.877 1.00 0.00 -0.273 OA +ATOM 582 CA THR A 94 175.367 181.787 183.171 1.00 0.00 0.199 C +ATOM 583 N THR A 94 175.561 183.234 183.243 1.00 0.00 -0.341 N +ATOM 584 CB THR A 94 173.928 181.441 182.755 1.00 0.00 0.143 C +ATOM 585 CG2 THR A 94 172.938 181.932 183.808 1.00 0.00 0.041 C +ATOM 586 OG1 THR A 94 173.628 182.050 181.493 1.00 0.00 -0.389 OA +ATOM 587 HG1 THR A 94 173.703 182.885 181.552 1.00 0.00 0.211 HD +ATOM 588 H THR A 94 175.255 183.662 182.563 1.00 0.00 0.164 HD +ATOM 589 C HIS A 95 179.754 181.787 181.427 1.00 0.00 0.242 C +ATOM 590 O HIS A 95 179.837 182.455 182.455 1.00 0.00 -0.272 OA +ATOM 591 CA HIS A 95 178.393 181.373 180.882 1.00 0.00 0.177 C +ATOM 592 N HIS A 95 177.329 181.893 181.737 1.00 0.00 -0.343 N +ATOM 593 CB HIS A 95 178.228 181.872 179.444 1.00 0.00 0.090 C +ATOM 594 CG HIS A 95 177.075 181.253 178.718 1.00 0.00 0.037 A +ATOM 595 ND1 HIS A 95 175.762 181.531 179.029 1.00 0.00 -0.347 N +ATOM 596 CD2 HIS A 95 177.040 180.367 177.696 1.00 0.00 0.134 A +ATOM 597 HD1 HIS A 95 175.500 182.069 179.647 1.00 0.00 0.167 HD +ATOM 598 CE1 HIS A 95 174.967 180.844 178.228 1.00 0.00 0.196 A +ATOM 599 NE2 HIS A 95 175.718 180.130 177.409 1.00 0.00 -0.245 NA +ATOM 600 H HIS A 95 177.404 182.733 181.908 1.00 0.00 0.164 HD +ATOM 601 C PHE A 96 182.523 181.261 182.507 1.00 0.00 0.243 C +ATOM 602 O PHE A 96 182.929 182.041 183.367 1.00 0.00 -0.272 OA +ATOM 603 CA PHE A 96 182.180 181.748 181.102 1.00 0.00 0.175 C +ATOM 604 N PHE A 96 180.814 181.381 180.733 1.00 0.00 -0.343 N +ATOM 605 CB PHE A 96 182.369 183.264 181.006 1.00 0.00 0.070 C +ATOM 606 CG PHE A 96 181.826 183.860 179.740 1.00 0.00 -0.045 A +ATOM 607 CD1 PHE A 96 182.442 183.618 178.524 1.00 0.00 0.004 A +ATOM 608 CD2 PHE A 96 180.700 184.664 179.766 1.00 0.00 0.004 A +ATOM 609 CE1 PHE A 96 181.943 184.165 177.357 1.00 0.00 0.000 A +ATOM 610 CE2 PHE A 96 180.197 185.214 178.604 1.00 0.00 0.000 A +ATOM 611 CZ PHE A 96 180.821 184.964 177.396 1.00 0.00 0.000 A +ATOM 612 H PHE A 96 180.767 180.885 180.032 1.00 0.00 0.164 HD +ATOM 613 C LYS A 97 183.916 179.570 184.631 1.00 0.00 0.242 C +ATOM 614 O LYS A 97 184.060 179.807 185.830 1.00 0.00 -0.273 OA +ATOM 615 CA LYS A 97 182.521 179.361 184.043 1.00 0.00 0.171 C +ATOM 616 N LYS A 97 182.367 179.959 182.721 1.00 0.00 -0.344 N +ATOM 617 CB LYS A 97 182.210 177.866 183.970 1.00 0.00 0.035 C +ATOM 618 CG LYS A 97 182.111 177.186 185.320 1.00 0.00 0.008 C +ATOM 619 CD LYS A 97 181.867 175.696 185.163 1.00 0.00 0.061 C +ATOM 620 CE LYS A 97 181.747 175.006 186.511 1.00 0.00 0.258 C +ATOM 621 NZ LYS A 97 182.965 175.196 187.349 1.00 0.00 -0.357 N +ATOM 622 HZ1 LYS A 97 182.864 174.781 188.130 1.00 0.00 0.345 HD +ATOM 623 HZ2 LYS A 97 183.676 174.859 186.932 1.00 0.00 0.345 HD +ATOM 624 HZ3 LYS A 97 183.099 176.063 187.497 1.00 0.00 0.345 HD +ATOM 625 H LYS A 97 182.168 179.391 182.107 1.00 0.00 0.164 HD +ATOM 626 C GLY A 98 186.586 181.043 184.724 1.00 0.00 0.239 C +ATOM 627 O GLY A 98 187.351 181.253 185.664 1.00 0.00 -0.273 OA +ATOM 628 CA GLY A 98 186.310 179.635 184.240 1.00 0.00 0.216 C +ATOM 629 N GLY A 98 184.939 179.479 183.789 1.00 0.00 -0.346 N +ATOM 630 H GLY A 98 184.862 179.326 182.946 1.00 0.00 0.164 HD +ATOM 631 C PHE A 99 185.500 183.737 185.771 1.00 0.00 0.243 C +ATOM 632 O PHE A 99 186.123 184.397 186.604 1.00 0.00 -0.272 OA +ATOM 633 CA PHE A 99 186.113 183.419 184.408 1.00 0.00 0.175 C +ATOM 634 N PHE A 99 185.952 182.010 184.072 1.00 0.00 -0.343 N +ATOM 635 CB PHE A 99 185.482 184.282 183.310 1.00 0.00 0.070 C +ATOM 636 CG PHE A 99 185.265 185.715 183.701 1.00 0.00 -0.045 A +ATOM 637 CD1 PHE A 99 186.274 186.648 183.555 1.00 0.00 0.004 A +ATOM 638 CD2 PHE A 99 184.040 186.133 184.193 1.00 0.00 0.004 A +ATOM 639 CE1 PHE A 99 186.070 187.969 183.906 1.00 0.00 0.000 A +ATOM 640 CE2 PHE A 99 183.832 187.450 184.545 1.00 0.00 0.000 A +ATOM 641 CZ PHE A 99 184.847 188.369 184.401 1.00 0.00 0.000 A +ATOM 642 H PHE A 99 185.412 181.872 183.417 1.00 0.00 0.164 HD +ATOM 643 C TRP A 100 184.302 182.822 188.435 1.00 0.00 0.242 C +ATOM 644 O TRP A 100 184.341 183.366 189.536 1.00 0.00 -0.272 OA +ATOM 645 CA TRP A 100 183.598 183.502 187.266 1.00 0.00 0.175 C +ATOM 646 N TRP A 100 184.282 183.259 186.001 1.00 0.00 -0.343 N +ATOM 647 CB TRP A 100 182.146 183.037 187.181 1.00 0.00 0.072 C +ATOM 648 CG TRP A 100 181.339 183.890 186.267 1.00 0.00 -0.020 A +ATOM 649 CD1 TRP A 100 180.736 183.510 185.108 1.00 0.00 0.087 A +ATOM 650 CD2 TRP A 100 181.068 185.286 186.423 1.00 0.00 0.003 A +ATOM 651 NE1 TRP A 100 180.094 184.580 184.535 1.00 0.00 -0.359 N +ATOM 652 CE2 TRP A 100 180.285 185.683 185.324 1.00 0.00 0.046 A +ATOM 653 CE3 TRP A 100 181.408 186.237 187.388 1.00 0.00 0.010 A +ATOM 654 HE1 TRP A 100 179.647 184.561 183.800 1.00 0.00 0.166 HD +ATOM 655 CZ2 TRP A 100 179.835 186.988 185.164 1.00 0.00 0.026 A +ATOM 656 CZ3 TRP A 100 180.962 187.531 187.228 1.00 0.00 0.001 A +ATOM 657 CH2 TRP A 100 180.183 187.896 186.124 1.00 0.00 0.002 A +ATOM 658 H TRP A 100 183.829 182.790 185.440 1.00 0.00 0.164 HD +ATOM 659 C ASN A 101 186.790 181.784 189.738 1.00 0.00 0.242 C +ATOM 660 O ASN A 101 187.123 181.719 190.921 1.00 0.00 -0.273 OA +ATOM 661 CA ASN A 101 185.636 180.936 189.210 1.00 0.00 0.180 C +ATOM 662 N ASN A 101 184.862 181.640 188.192 1.00 0.00 -0.342 N +ATOM 663 CB ASN A 101 186.176 179.616 188.654 1.00 0.00 0.134 C +ATOM 664 CG ASN A 101 185.229 178.447 188.879 1.00 0.00 0.220 C +ATOM 665 OD1 ASN A 101 184.129 178.612 189.411 1.00 0.00 -0.275 OA +ATOM 666 ND2 ASN A 101 185.655 177.256 188.469 1.00 0.00 -0.368 N +ATOM 667 HD22 ASN A 101 185.157 176.562 188.574 1.00 0.00 0.159 HD +ATOM 668 HD21 ASN A 101 186.428 177.180 188.100 1.00 0.00 0.159 HD +ATOM 669 H ASN A 101 184.808 181.223 187.442 1.00 0.00 0.164 HD +ATOM 670 C VAL A 102 187.916 184.694 189.981 1.00 0.00 0.243 C +ATOM 671 O VAL A 102 188.418 185.083 191.035 1.00 0.00 -0.272 OA +ATOM 672 CA VAL A 102 188.475 183.470 189.264 1.00 0.00 0.173 C +ATOM 673 N VAL A 102 187.392 182.581 188.862 1.00 0.00 -0.343 N +ATOM 674 CB VAL A 102 189.320 183.914 188.053 1.00 0.00 0.015 C +ATOM 675 CG1 VAL A 102 190.353 184.966 188.461 1.00 0.00 0.010 C +ATOM 676 CG2 VAL A 102 190.008 182.712 187.430 1.00 0.00 0.010 C +ATOM 677 H VAL A 102 187.192 182.626 188.027 1.00 0.00 0.164 HD +ATOM 678 C VAL A 103 185.764 186.138 191.432 1.00 0.00 0.243 C +ATOM 679 O VAL A 103 185.928 186.947 192.345 1.00 0.00 -0.272 OA +ATOM 680 CA VAL A 103 186.233 186.458 190.017 1.00 0.00 0.173 C +ATOM 681 N VAL A 103 186.878 185.298 189.408 1.00 0.00 -0.343 N +ATOM 682 CB VAL A 103 185.028 186.943 189.177 1.00 0.00 0.015 C +ATOM 683 CG1 VAL A 103 184.199 187.983 189.945 1.00 0.00 0.010 C +ATOM 684 CG2 VAL A 103 185.505 187.518 187.853 1.00 0.00 0.010 C +ATOM 685 H VAL A 103 186.526 185.053 188.662 1.00 0.00 0.164 HD +ATOM 686 C ASN A 104 185.762 184.514 193.975 1.00 0.00 0.242 C +ATOM 687 O ASN A 104 185.484 184.692 195.158 1.00 0.00 -0.273 OA +ATOM 688 CA ASN A 104 184.672 184.542 192.910 1.00 0.00 0.180 C +ATOM 689 N ASN A 104 185.182 184.956 191.608 1.00 0.00 -0.342 N +ATOM 690 CB ASN A 104 184.017 183.163 192.815 1.00 0.00 0.134 C +ATOM 691 CG ASN A 104 182.749 183.174 191.985 1.00 0.00 0.220 C +ATOM 692 OD1 ASN A 104 182.097 184.206 191.834 1.00 0.00 -0.275 OA +ATOM 693 ND2 ASN A 104 182.392 182.016 191.441 1.00 0.00 -0.368 N +ATOM 694 HD22 ASN A 104 181.680 181.968 190.960 1.00 0.00 0.159 HD +ATOM 695 HD21 ASN A 104 182.872 181.314 191.569 1.00 0.00 0.159 HD +ATOM 696 H ASN A 104 185.069 184.373 190.986 1.00 0.00 0.164 HD +ATOM 697 C ASN A 105 188.903 185.529 194.587 1.00 0.00 0.242 C +ATOM 698 O ASN A 105 189.951 185.582 195.229 1.00 0.00 -0.273 OA +ATOM 699 CA ASN A 105 188.137 184.213 194.464 1.00 0.00 0.180 C +ATOM 700 N ASN A 105 187.003 184.296 193.547 1.00 0.00 -0.342 N +ATOM 701 CB ASN A 105 189.089 183.101 194.022 1.00 0.00 0.134 C +ATOM 702 CG ASN A 105 188.557 181.721 194.347 1.00 0.00 0.220 C +ATOM 703 OD1 ASN A 105 188.665 181.255 195.480 1.00 0.00 -0.275 OA +ATOM 704 ND2 ASN A 105 187.973 181.062 193.356 1.00 0.00 -0.368 N +ATOM 705 HD22 ASN A 105 187.655 180.275 193.491 1.00 0.00 0.159 HD +ATOM 706 HD21 ASN A 105 187.912 181.422 192.577 1.00 0.00 0.159 HD +ATOM 707 H ASN A 105 187.216 184.192 192.720 1.00 0.00 0.164 HD +ATOM 708 C ILE A 105A 187.902 188.749 194.930 1.00 0.00 0.243 C +ATOM 709 O ILE A 105A 186.985 189.325 194.349 1.00 0.00 -0.272 OA +ATOM 710 CA ILE A 105A 188.917 187.929 194.130 1.00 0.00 0.174 C +ATOM 711 N ILE A 105A 188.378 186.582 193.970 1.00 0.00 -0.343 N +ATOM 712 CB ILE A 105A 189.200 188.602 192.774 1.00 0.00 0.018 C +ATOM 713 CG2 ILE A 105A 189.767 190.005 192.982 1.00 0.00 0.010 C +ATOM 714 CG1 ILE A 105A 190.186 187.758 191.964 1.00 0.00 0.002 C +ATOM 715 CD1 ILE A 105A 190.384 188.227 190.535 1.00 0.00 0.004 C +ATOM 716 H ILE A 105A 187.697 186.543 193.446 1.00 0.00 0.164 HD +ATOM 717 C PRO A 106 186.672 190.821 196.682 1.00 0.00 0.243 C +ATOM 718 O PRO A 106 185.503 191.194 196.753 1.00 0.00 -0.271 OA +ATOM 719 CA PRO A 106 187.063 189.428 197.146 1.00 0.00 0.175 C +ATOM 720 N PRO A 106 188.058 188.795 196.269 1.00 0.00 -0.329 N +ATOM 721 CB PRO A 106 187.778 189.489 198.499 1.00 0.00 0.037 C +ATOM 722 CG PRO A 106 188.766 188.394 198.449 1.00 0.00 0.024 C +ATOM 723 CD PRO A 106 189.231 188.335 197.033 1.00 0.00 0.121 C +ATOM 724 C PHE A 107 186.399 192.947 194.577 1.00 0.00 0.243 C +ATOM 725 O PHE A 107 185.479 193.765 194.598 1.00 0.00 -0.272 OA +ATOM 726 CA PHE A 107 187.437 192.916 195.697 1.00 0.00 0.175 C +ATOM 727 N PHE A 107 187.656 191.570 196.202 1.00 0.00 -0.343 N +ATOM 728 CB PHE A 107 188.761 193.500 195.202 1.00 0.00 0.070 C +ATOM 729 CG PHE A 107 188.611 194.772 194.428 1.00 0.00 -0.045 A +ATOM 730 CD1 PHE A 107 188.301 195.957 195.072 1.00 0.00 0.004 A +ATOM 731 CD2 PHE A 107 188.789 194.786 193.057 1.00 0.00 0.004 A +ATOM 732 CE1 PHE A 107 188.163 197.133 194.359 1.00 0.00 0.000 A +ATOM 733 CE2 PHE A 107 188.654 195.957 192.339 1.00 0.00 0.000 A +ATOM 734 CZ PHE A 107 188.341 197.133 192.991 1.00 0.00 0.000 A +ATOM 735 H PHE A 107 188.476 191.315 196.158 1.00 0.00 0.164 HD +ATOM 736 C LEU A 108 184.286 191.436 192.813 1.00 0.00 0.243 C +ATOM 737 O LEU A 108 183.251 191.954 192.396 1.00 0.00 -0.272 OA +ATOM 738 CA LEU A 108 185.644 192.026 192.454 1.00 0.00 0.172 C +ATOM 739 N LEU A 108 186.546 192.057 193.601 1.00 0.00 -0.345 N +ATOM 740 CB LEU A 108 186.257 191.225 191.306 1.00 0.00 0.038 C +ATOM 741 CG LEU A 108 187.559 191.754 190.704 1.00 0.00 -0.015 C +ATOM 742 CD1 LEU A 108 187.992 190.855 189.561 1.00 0.00 0.007 C +ATOM 743 CD2 LEU A 108 187.411 193.194 190.230 1.00 0.00 0.007 C +ATOM 744 H LEU A 108 187.162 191.458 193.579 1.00 0.00 0.165 HD +ATOM 745 C ARG A 109 182.166 190.656 194.748 1.00 0.00 0.242 C +ATOM 746 O ARG A 109 180.970 190.749 194.477 1.00 0.00 -0.273 OA +ATOM 747 CA ARG A 109 183.065 189.688 193.986 1.00 0.00 0.171 C +ATOM 748 N ARG A 109 184.299 190.345 193.571 1.00 0.00 -0.344 N +ATOM 749 CB ARG A 109 183.370 188.469 194.856 1.00 0.00 0.038 C +ATOM 750 CG ARG A 109 182.155 187.600 195.148 1.00 0.00 0.040 C +ATOM 751 CD ARG A 109 182.371 186.746 196.381 1.00 0.00 0.197 C +ATOM 752 NE ARG A 109 181.247 185.851 196.631 1.00 0.00 -0.278 N +ATOM 753 HE ARG A 109 180.609 185.836 196.054 1.00 0.00 0.260 HD +ATOM 754 CZ ARG A 109 181.144 185.055 197.690 1.00 0.00 0.339 C +ATOM 755 NH1 ARG A 109 182.100 185.044 198.610 1.00 0.00 -0.290 N +ATOM 756 NH2 ARG A 109 180.085 184.272 197.833 1.00 0.00 -0.290 N +ATOM 757 HH12 ARG A 109 182.789 185.551 198.520 1.00 0.00 0.256 HD +ATOM 758 HH11 ARG A 109 182.032 184.529 199.295 1.00 0.00 0.256 HD +ATOM 759 HH22 ARG A 109 179.463 184.278 197.240 1.00 0.00 0.256 HD +ATOM 760 HH21 ARG A 109 180.020 183.759 198.520 1.00 0.00 0.256 HD +ATOM 761 H ARG A 109 185.013 189.963 193.860 1.00 0.00 0.164 HD +ATOM 762 C ASN A 110 181.409 193.459 195.686 1.00 0.00 0.242 C +ATOM 763 O ASN A 110 180.238 193.795 195.857 1.00 0.00 -0.273 OA +ATOM 764 CA ASN A 110 182.022 192.336 196.513 1.00 0.00 0.180 C +ATOM 765 N ASN A 110 182.757 191.379 195.696 1.00 0.00 -0.342 N +ATOM 766 CB ASN A 110 182.937 192.931 197.584 1.00 0.00 0.134 C +ATOM 767 CG ASN A 110 183.341 191.916 198.630 1.00 0.00 0.220 C +ATOM 768 OD1 ASN A 110 182.793 190.817 198.685 1.00 0.00 -0.275 OA +ATOM 769 ND2 ASN A 110 184.299 192.282 199.471 1.00 0.00 -0.368 N +ATOM 770 HD22 ASN A 110 184.563 191.740 200.084 1.00 0.00 0.159 HD +ATOM 771 HD21 ASN A 110 184.656 193.062 199.404 1.00 0.00 0.159 HD +ATOM 772 H ASN A 110 183.595 191.331 195.887 1.00 0.00 0.164 HD +ATOM 773 C ALA A 111 180.573 194.672 193.079 1.00 0.00 0.243 C +ATOM 774 O ALA A 111 179.606 195.409 192.896 1.00 0.00 -0.272 OA +ATOM 775 CA ALA A 111 181.745 195.124 193.940 1.00 0.00 0.168 C +ATOM 776 N ALA A 111 182.207 194.037 194.795 1.00 0.00 -0.344 N +ATOM 777 CB ALA A 111 182.880 195.630 193.065 1.00 0.00 0.041 C +ATOM 778 H ALA A 111 183.028 193.816 194.665 1.00 0.00 0.164 HD +ATOM 779 C ILE A 112 178.352 192.642 192.520 1.00 0.00 0.243 C +ATOM 780 O ILE A 112 177.261 193.043 192.118 1.00 0.00 -0.272 OA +ATOM 781 CA ILE A 112 179.616 192.902 191.712 1.00 0.00 0.174 C +ATOM 782 N ILE A 112 180.666 193.455 192.557 1.00 0.00 -0.343 N +ATOM 783 CB ILE A 112 180.079 191.598 191.027 1.00 0.00 0.018 C +ATOM 784 CG2 ILE A 112 178.891 190.837 190.422 1.00 0.00 0.010 C +ATOM 785 CG1 ILE A 112 181.104 191.928 189.935 1.00 0.00 0.002 C +ATOM 786 CD1 ILE A 112 181.748 190.718 189.296 1.00 0.00 0.004 C +ATOM 787 H ILE A 112 181.332 192.925 192.678 1.00 0.00 0.164 HD +ATOM 788 C MET A 113 176.681 192.938 194.956 1.00 0.00 0.242 C +ATOM 789 O MET A 113 175.455 193.038 194.956 1.00 0.00 -0.272 OA +ATOM 790 CA MET A 113 177.358 191.653 194.499 1.00 0.00 0.172 C +ATOM 791 N MET A 113 178.500 191.964 193.653 1.00 0.00 -0.344 N +ATOM 792 CB MET A 113 177.788 190.822 195.709 1.00 0.00 0.046 C +ATOM 793 CG MET A 113 176.621 190.300 196.528 1.00 0.00 0.072 C +ATOM 794 SD MET A 113 175.575 189.161 195.598 1.00 0.00 -0.165 SA +ATOM 795 CE MET A 113 173.964 189.587 196.247 1.00 0.00 0.085 C +ATOM 796 H MET A 113 179.252 191.673 193.953 1.00 0.00 0.164 HD +ATOM 797 C SER A 114 176.091 195.841 194.694 1.00 0.00 0.244 C +ATOM 798 O SER A 114 175.023 196.368 195.006 1.00 0.00 -0.272 OA +ATOM 799 CA SER A 114 176.992 195.221 195.759 1.00 0.00 0.197 C +ATOM 800 N SER A 114 177.492 193.920 195.334 1.00 0.00 -0.342 N +ATOM 801 CB SER A 114 178.159 196.159 196.069 1.00 0.00 0.191 C +ATOM 802 OG SER A 114 177.698 197.397 196.583 1.00 0.00 -0.392 OA +ATOM 803 HG SER A 114 178.350 197.900 196.748 1.00 0.00 0.210 HD +ATOM 804 H SER A 114 178.349 193.856 195.353 1.00 0.00 0.164 HD +ATOM 805 C TYR A 115 174.444 195.578 192.119 1.00 0.00 0.243 C +ATOM 806 O TYR A 115 173.408 196.194 191.859 1.00 0.00 -0.272 OA +ATOM 807 CA TYR A 115 175.755 196.327 192.334 1.00 0.00 0.175 C +ATOM 808 N TYR A 115 176.523 195.766 193.439 1.00 0.00 -0.343 N +ATOM 809 CB TYR A 115 176.571 196.307 191.042 1.00 0.00 0.070 C +ATOM 810 CG TYR A 115 175.756 196.688 189.829 1.00 0.00 -0.045 A +ATOM 811 CD1 TYR A 115 175.495 198.019 189.536 1.00 0.00 0.007 A +ATOM 812 CD2 TYR A 115 175.234 195.717 188.985 1.00 0.00 0.007 A +ATOM 813 CE1 TYR A 115 174.745 198.373 188.435 1.00 0.00 0.046 A +ATOM 814 CE2 TYR A 115 174.483 196.062 187.881 1.00 0.00 0.046 A +ATOM 815 CZ TYR A 115 174.242 197.391 187.611 1.00 0.00 0.115 A +ATOM 816 OH TYR A 115 173.494 197.744 186.511 1.00 0.00 -0.507 OA +ATOM 817 HH TYR A 115 173.250 197.055 186.097 1.00 0.00 0.294 HD +ATOM 818 H TYR A 115 177.260 195.393 193.201 1.00 0.00 0.164 HD +ATOM 819 C VAL A 116 172.264 193.897 193.114 1.00 0.00 0.243 C +ATOM 820 O VAL A 116 171.107 194.110 192.768 1.00 0.00 -0.272 OA +ATOM 821 CA VAL A 116 173.302 193.423 192.107 1.00 0.00 0.173 C +ATOM 822 N VAL A 116 174.499 194.251 192.206 1.00 0.00 -0.343 N +ATOM 823 CB VAL A 116 173.619 191.924 192.350 1.00 0.00 0.015 C +ATOM 824 CG1 VAL A 116 172.337 191.103 192.515 1.00 0.00 0.010 C +ATOM 825 CG2 VAL A 116 174.453 191.370 191.212 1.00 0.00 0.010 C +ATOM 826 H VAL A 116 175.224 193.804 192.323 1.00 0.00 0.164 HD +ATOM 827 C LEU A 117 171.201 195.870 195.184 1.00 0.00 0.243 C +ATOM 828 O LEU A 117 169.986 196.057 195.240 1.00 0.00 -0.272 OA +ATOM 829 CA LEU A 117 171.780 194.480 195.426 1.00 0.00 0.172 C +ATOM 830 N LEU A 117 172.687 194.071 194.361 1.00 0.00 -0.345 N +ATOM 831 CB LEU A 117 172.493 194.448 196.777 1.00 0.00 0.038 C +ATOM 832 CG LEU A 117 173.005 193.083 197.239 1.00 0.00 -0.015 C +ATOM 833 CD1 LEU A 117 173.802 193.224 198.522 1.00 0.00 0.007 C +ATOM 834 CD2 LEU A 117 171.859 192.107 197.424 1.00 0.00 0.007 C +ATOM 835 H LEU A 117 173.500 193.958 194.618 1.00 0.00 0.165 HD +ATOM 836 C THR A 118 170.772 198.397 193.501 1.00 0.00 0.245 C +ATOM 837 O THR A 118 169.738 199.060 193.547 1.00 0.00 -0.273 OA +ATOM 838 CA THR A 118 171.632 198.222 194.750 1.00 0.00 0.199 C +ATOM 839 N THR A 118 172.069 196.841 194.918 1.00 0.00 -0.341 N +ATOM 840 CB THR A 118 172.829 199.193 194.671 1.00 0.00 0.143 C +ATOM 841 CG2 THR A 118 173.542 199.275 196.014 1.00 0.00 0.041 C +ATOM 842 OG1 THR A 118 173.750 198.749 193.667 1.00 0.00 -0.389 OA +ATOM 843 HG1 THR A 118 174.033 197.981 193.855 1.00 0.00 0.211 HD +ATOM 844 H THR A 118 172.916 196.726 194.830 1.00 0.00 0.164 HD +ATOM 845 C SER A 119 169.088 197.365 191.165 1.00 0.00 0.244 C +ATOM 846 O SER A 119 168.120 198.001 190.751 1.00 0.00 -0.272 OA +ATOM 847 CA SER A 119 170.491 197.975 191.125 1.00 0.00 0.197 C +ATOM 848 N SER A 119 171.194 197.797 192.392 1.00 0.00 -0.342 N +ATOM 849 CB SER A 119 171.297 197.369 189.970 1.00 0.00 0.191 C +ATOM 850 OG SER A 119 171.302 195.954 190.018 1.00 0.00 -0.392 OA +ATOM 851 HG SER A 119 171.645 195.692 190.739 1.00 0.00 0.210 HD +ATOM 852 H SER A 119 171.882 197.284 192.346 1.00 0.00 0.164 HD +ATOM 853 C ARG A 120 166.743 196.125 192.747 1.00 0.00 0.242 C +ATOM 854 O ARG A 120 165.523 196.068 192.599 1.00 0.00 -0.273 OA +ATOM 855 CA ARG A 120 167.678 195.467 191.729 1.00 0.00 0.171 C +ATOM 856 N ARG A 120 168.974 196.141 191.670 1.00 0.00 -0.344 N +ATOM 857 CB ARG A 120 167.850 193.985 192.074 1.00 0.00 0.038 C +ATOM 858 CG ARG A 120 168.817 193.222 191.177 1.00 0.00 0.040 C +ATOM 859 CD ARG A 120 168.119 192.397 190.105 1.00 0.00 0.197 C +ATOM 860 NE ARG A 120 169.057 191.476 189.465 1.00 0.00 -0.278 N +ATOM 861 HE ARG A 120 169.878 191.503 189.719 1.00 0.00 0.260 HD +ATOM 862 CZ ARG A 120 168.734 190.601 188.518 1.00 0.00 0.339 C +ATOM 863 NH1 ARG A 120 167.486 190.512 188.080 1.00 0.00 -0.290 N +ATOM 864 NH2 ARG A 120 169.668 189.809 188.007 1.00 0.00 -0.290 N +ATOM 865 HH12 ARG A 120 166.877 191.023 188.410 1.00 0.00 0.256 HD +ATOM 866 HH11 ARG A 120 167.284 189.944 187.467 1.00 0.00 0.256 HD +ATOM 867 HH22 ARG A 120 170.479 189.864 188.288 1.00 0.00 0.256 HD +ATOM 868 HH21 ARG A 120 169.462 189.243 187.394 1.00 0.00 0.256 HD +ATOM 869 H ARG A 120 169.628 195.679 191.983 1.00 0.00 0.164 HD +ATOM 870 C SER A 121 165.853 198.647 194.484 1.00 0.00 0.244 C +ATOM 871 O SER A 121 164.794 198.985 195.010 1.00 0.00 -0.272 OA +ATOM 872 CA SER A 121 166.512 197.321 194.859 1.00 0.00 0.197 C +ATOM 873 N SER A 121 167.311 196.754 193.772 1.00 0.00 -0.342 N +ATOM 874 CB SER A 121 167.372 197.514 196.107 1.00 0.00 0.191 C +ATOM 875 OG SER A 121 167.834 196.269 196.598 1.00 0.00 -0.392 OA +ATOM 876 HG SER A 121 168.296 195.883 196.012 1.00 0.00 0.210 HD +ATOM 877 H SER A 121 168.158 196.867 193.864 1.00 0.00 0.164 HD +ATOM 878 C HIS A 122 164.562 200.492 192.441 1.00 0.00 0.242 C +ATOM 879 O HIS A 122 163.848 201.470 192.222 1.00 0.00 -0.272 OA +ATOM 880 CA HIS A 122 165.929 200.663 193.106 1.00 0.00 0.177 C +ATOM 881 N HIS A 122 166.478 199.392 193.576 1.00 0.00 -0.343 N +ATOM 882 CB HIS A 122 166.893 201.331 192.121 1.00 0.00 0.093 C +ATOM 883 CG HIS A 122 168.095 201.949 192.767 1.00 0.00 0.061 A +ATOM 884 ND1 HIS A 122 168.053 202.535 194.014 1.00 0.00 -0.242 NA +ATOM 885 CD2 HIS A 122 169.372 202.077 192.335 1.00 0.00 0.107 A +ATOM 886 CE1 HIS A 122 169.252 202.995 194.323 1.00 0.00 0.196 A +ATOM 887 NE2 HIS A 122 170.071 202.729 193.322 1.00 0.00 -0.350 N +ATOM 888 HE2 HIS A 122 170.906 202.932 193.292 1.00 0.00 0.167 HD +ATOM 889 H HIS A 122 167.229 199.182 193.213 1.00 0.00 0.164 HD +ATOM 890 C LEU A 123 161.775 198.808 192.406 1.00 0.00 0.243 C +ATOM 891 O LEU A 123 160.627 198.704 191.977 1.00 0.00 -0.272 OA +ATOM 892 CA LEU A 123 162.946 198.966 191.437 1.00 0.00 0.172 C +ATOM 893 N LEU A 123 164.205 199.252 192.117 1.00 0.00 -0.345 N +ATOM 894 CB LEU A 123 163.086 197.703 190.586 1.00 0.00 0.038 C +ATOM 895 CG LEU A 123 163.911 197.849 189.304 1.00 0.00 -0.015 C +ATOM 896 CD1 LEU A 123 164.207 196.489 188.708 1.00 0.00 0.007 C +ATOM 897 CD2 LEU A 123 163.187 198.723 188.294 1.00 0.00 0.007 C +ATOM 898 H LEU A 123 164.680 198.554 192.281 1.00 0.00 0.165 HD +ATOM 899 C ILE A 124 160.879 200.033 195.454 1.00 0.00 0.243 C +ATOM 900 O ILE A 124 161.866 200.623 195.890 1.00 0.00 -0.272 OA +ATOM 901 CA ILE A 124 161.021 198.709 194.723 1.00 0.00 0.174 C +ATOM 902 N ILE A 124 162.064 198.786 193.703 1.00 0.00 -0.343 N +ATOM 903 CB ILE A 124 161.308 197.605 195.757 1.00 0.00 0.018 C +ATOM 904 CG2 ILE A 124 160.163 197.499 196.758 1.00 0.00 0.010 C +ATOM 905 CG1 ILE A 124 161.536 196.260 195.060 1.00 0.00 0.002 C +ATOM 906 CD1 ILE A 124 160.407 195.834 194.142 1.00 0.00 0.004 C +ATOM 907 H ILE A 124 162.862 198.814 194.022 1.00 0.00 0.164 HD +ATOM 908 C ASP A 125 159.410 201.298 197.867 1.00 0.00 0.242 C +ATOM 909 O ASP A 125 158.715 200.386 198.310 1.00 0.00 -0.273 OA +ATOM 910 CA ASP A 125 159.359 201.673 196.392 1.00 0.00 0.176 C +ATOM 911 N ASP A 125 159.641 200.496 195.587 1.00 0.00 -0.343 N +ATOM 912 CB ASP A 125 157.994 202.269 196.034 1.00 0.00 0.087 C +ATOM 913 CG ASP A 125 157.982 202.940 194.667 1.00 0.00 0.044 C +ATOM 914 OD1 ASP A 125 159.058 203.373 194.197 1.00 0.00 -0.548 OA +ATOM 915 OD2 ASP A 125 156.893 203.039 194.065 1.00 0.00 -0.549 OA +ATOM 916 H ASP A 125 158.948 200.144 195.219 1.00 0.00 0.164 HD +ATOM 917 C SER A 126 160.717 203.101 200.739 1.00 0.00 0.244 C +ATOM 918 O SER A 126 161.754 203.705 200.476 1.00 0.00 -0.272 OA +ATOM 919 CA SER A 126 160.407 201.776 200.040 1.00 0.00 0.197 C +ATOM 920 N SER A 126 160.246 202.008 198.614 1.00 0.00 -0.342 N +ATOM 921 CB SER A 126 161.517 200.758 200.295 1.00 0.00 0.191 C +ATOM 922 OG SER A 126 161.684 200.528 201.682 1.00 0.00 -0.392 OA +ATOM 923 HG SER A 126 160.971 200.231 202.012 1.00 0.00 0.210 HD +ATOM 924 H SER A 126 160.740 202.643 198.310 1.00 0.00 0.164 HD +ATOM 925 C PRO A 127 157.569 202.686 200.992 1.00 0.00 0.243 C +ATOM 926 O PRO A 127 157.637 203.295 199.923 1.00 0.00 -0.271 OA +ATOM 927 CA PRO A 127 158.563 203.000 202.110 1.00 0.00 0.175 C +ATOM 928 N PRO A 127 159.829 203.573 201.629 1.00 0.00 -0.329 N +ATOM 929 CB PRO A 127 158.004 204.096 203.021 1.00 0.00 0.037 C +ATOM 930 CG PRO A 127 159.180 204.885 203.444 1.00 0.00 0.024 C +ATOM 931 CD PRO A 127 160.129 204.856 202.289 1.00 0.00 0.121 C +ATOM 932 C PRO A 128 154.667 202.309 199.851 1.00 0.00 0.243 C +ATOM 933 O PRO A 128 154.544 203.326 200.533 1.00 0.00 -0.271 OA +ATOM 934 CA PRO A 128 155.720 201.267 200.214 1.00 0.00 0.175 C +ATOM 935 N PRO A 128 156.651 201.741 201.241 1.00 0.00 -0.329 N +ATOM 936 CB PRO A 128 155.084 200.041 200.869 1.00 0.00 0.037 C +ATOM 937 CG PRO A 128 155.111 200.349 202.317 1.00 0.00 0.024 C +ATOM 938 CD PRO A 128 156.375 201.130 202.553 1.00 0.00 0.121 C +ATOM 939 C THR A 129 151.533 202.433 198.196 1.00 0.00 0.245 C +ATOM 940 O THR A 129 150.750 202.571 199.133 1.00 0.00 -0.273 OA +ATOM 941 CA THR A 129 152.947 203.012 198.276 1.00 0.00 0.199 C +ATOM 942 N THR A 129 153.913 202.048 198.788 1.00 0.00 -0.341 N +ATOM 943 CB THR A 129 153.374 203.521 196.889 1.00 0.00 0.143 C +ATOM 944 CG2 THR A 129 154.692 204.275 196.986 1.00 0.00 0.041 C +ATOM 945 OG1 THR A 129 153.538 202.412 195.999 1.00 0.00 -0.389 OA +ATOM 946 HG1 THR A 129 153.771 202.686 195.239 1.00 0.00 0.211 HD +ATOM 947 H THR A 129 153.943 201.314 198.341 1.00 0.00 0.164 HD +ATOM 948 C TYR A 130 149.460 200.041 197.460 1.00 0.00 0.243 C +ATOM 949 O TYR A 130 150.322 199.266 197.873 1.00 0.00 -0.272 OA +ATOM 950 CA TYR A 130 149.842 201.368 196.813 1.00 0.00 0.175 C +ATOM 951 N TYR A 130 151.213 201.779 197.086 1.00 0.00 -0.343 N +ATOM 952 CB TYR A 130 149.622 201.265 195.302 1.00 0.00 0.070 C +ATOM 953 CG TYR A 130 150.115 202.465 194.528 1.00 0.00 -0.045 A +ATOM 954 CD1 TYR A 130 149.495 203.701 194.652 1.00 0.00 0.007 A +ATOM 955 CD2 TYR A 130 151.197 202.360 193.664 1.00 0.00 0.007 A +ATOM 956 CE1 TYR A 130 149.944 204.799 193.945 1.00 0.00 0.046 A +ATOM 957 CE2 TYR A 130 151.650 203.452 192.952 1.00 0.00 0.046 A +ATOM 958 CZ TYR A 130 151.021 204.668 193.097 1.00 0.00 0.115 A +ATOM 959 OH TYR A 130 151.468 205.757 192.392 1.00 0.00 -0.507 OA +ATOM 960 HH TYR A 130 152.126 205.541 191.916 1.00 0.00 0.294 HD +ATOM 961 H TYR A 130 151.774 201.561 196.472 1.00 0.00 0.164 HD +ATOM 962 C ASN A 131 146.334 198.245 197.097 1.00 0.00 0.242 C +ATOM 963 O ASN A 131 145.968 199.050 196.241 1.00 0.00 -0.273 OA +ATOM 964 CA ASN A 131 147.622 198.486 197.882 1.00 0.00 0.180 C +ATOM 965 N ASN A 131 148.154 199.807 197.559 1.00 0.00 -0.342 N +ATOM 966 CB ASN A 131 147.395 198.326 199.396 1.00 0.00 0.134 C +ATOM 967 CG ASN A 131 146.320 199.253 199.954 1.00 0.00 0.220 C +ATOM 968 OD1 ASN A 131 145.431 199.720 199.242 1.00 0.00 -0.275 OA +ATOM 969 ND2 ASN A 131 146.397 199.511 201.254 1.00 0.00 -0.368 N +ATOM 970 HD22 ASN A 131 145.818 200.027 201.626 1.00 0.00 0.159 HD +ATOM 971 HD21 ASN A 131 147.026 199.161 201.725 1.00 0.00 0.159 HD +ATOM 972 H ASN A 131 147.547 200.405 197.441 1.00 0.00 0.164 HD +ATOM 973 C ALA A 132 143.390 197.808 196.577 1.00 0.00 0.243 C +ATOM 974 O ALA A 132 142.660 197.913 195.594 1.00 0.00 -0.272 OA +ATOM 975 CA ALA A 132 144.476 196.736 196.622 1.00 0.00 0.168 C +ATOM 976 N ALA A 132 145.650 197.144 197.390 1.00 0.00 -0.344 N +ATOM 977 CB ALA A 132 143.904 195.450 197.194 1.00 0.00 0.041 C +ATOM 978 H ALA A 132 145.846 196.611 198.036 1.00 0.00 0.164 HD +ATOM 979 C ASP A 133 142.598 200.998 197.399 1.00 0.00 0.242 C +ATOM 980 O ASP A 133 141.746 201.882 197.381 1.00 0.00 -0.273 OA +ATOM 981 CA ASP A 133 142.208 199.571 197.774 1.00 0.00 0.176 C +ATOM 982 N ASP A 133 143.295 198.606 197.634 1.00 0.00 -0.343 N +ATOM 983 CB ASP A 133 141.683 199.559 199.213 1.00 0.00 0.087 C +ATOM 984 CG ASP A 133 140.859 198.322 199.526 1.00 0.00 0.044 C +ATOM 985 OD1 ASP A 133 140.187 197.803 198.613 1.00 0.00 -0.548 OA +ATOM 986 OD2 ASP A 133 140.879 197.869 200.688 1.00 0.00 -0.549 OA +ATOM 987 H ASP A 133 143.851 198.608 198.289 1.00 0.00 0.164 HD +ATOM 988 C TYR A 134 145.324 202.626 195.649 1.00 0.00 0.243 C +ATOM 989 O TYR A 134 146.455 202.153 195.739 1.00 0.00 -0.272 OA +ATOM 990 CA TYR A 134 144.357 202.576 196.824 1.00 0.00 0.175 C +ATOM 991 N TYR A 134 143.873 201.226 197.098 1.00 0.00 -0.343 N +ATOM 992 CB TYR A 134 145.022 203.159 198.074 1.00 0.00 0.070 C +ATOM 993 CG TYR A 134 144.044 203.431 199.192 1.00 0.00 -0.045 A +ATOM 994 CD1 TYR A 134 143.387 204.651 199.282 1.00 0.00 0.007 A +ATOM 995 CD2 TYR A 134 143.764 202.467 200.150 1.00 0.00 0.007 A +ATOM 996 CE1 TYR A 134 142.486 204.905 200.300 1.00 0.00 0.046 A +ATOM 997 CE2 TYR A 134 142.862 202.710 201.169 1.00 0.00 0.046 A +ATOM 998 CZ TYR A 134 142.226 203.932 201.239 1.00 0.00 0.115 A +ATOM 999 OH TYR A 134 141.328 204.180 202.253 1.00 0.00 -0.507 OA +ATOM 1000 HH TYR A 134 141.016 204.957 202.177 1.00 0.00 0.294 HD +ATOM 1001 H TYR A 134 144.478 200.617 197.047 1.00 0.00 0.164 HD +ATOM 1002 C GLY A 135 146.273 204.833 193.382 1.00 0.00 0.239 C +ATOM 1003 O GLY A 135 146.817 205.295 192.382 1.00 0.00 -0.273 OA +ATOM 1004 CA GLY A 135 145.688 203.433 193.377 1.00 0.00 0.216 C +ATOM 1005 N GLY A 135 144.858 203.203 194.545 1.00 0.00 -0.346 N +ATOM 1006 H GLY A 135 144.048 203.475 194.450 1.00 0.00 0.164 HD +ATOM 1007 C TYR A 136 147.469 206.720 196.123 1.00 0.00 0.243 C +ATOM 1008 O TYR A 136 147.023 205.971 196.990 1.00 0.00 -0.272 OA +ATOM 1009 CA TYR A 136 146.811 206.785 194.752 1.00 0.00 0.175 C +ATOM 1010 N TYR A 136 146.137 205.515 194.514 1.00 0.00 -0.343 N +ATOM 1011 CB TYR A 136 145.832 207.958 194.676 1.00 0.00 0.070 C +ATOM 1012 CG TYR A 136 144.658 207.836 195.623 1.00 0.00 -0.045 A +ATOM 1013 CD1 TYR A 136 143.498 207.178 195.239 1.00 0.00 0.007 A +ATOM 1014 CD2 TYR A 136 144.710 208.376 196.902 1.00 0.00 0.007 A +ATOM 1015 CE1 TYR A 136 142.428 207.062 196.097 1.00 0.00 0.046 A +ATOM 1016 CE2 TYR A 136 143.641 208.262 197.766 1.00 0.00 0.046 A +ATOM 1017 CZ TYR A 136 142.503 207.605 197.358 1.00 0.00 0.115 A +ATOM 1018 OH TYR A 136 141.436 207.490 198.212 1.00 0.00 -0.507 OA +ATOM 1019 HH TYR A 136 140.812 207.070 197.837 1.00 0.00 0.294 HD +ATOM 1020 H TYR A 136 145.648 205.257 195.173 1.00 0.00 0.164 HD +ATOM 1021 C LYS A 137 148.292 208.030 198.688 1.00 0.00 0.242 C +ATOM 1022 O LYS A 137 147.644 209.061 198.520 1.00 0.00 -0.273 OA +ATOM 1023 CA LYS A 137 149.219 207.505 197.603 1.00 0.00 0.171 C +ATOM 1024 N LYS A 137 148.534 207.488 196.316 1.00 0.00 -0.344 N +ATOM 1025 CB LYS A 137 150.490 208.356 197.544 1.00 0.00 0.035 C +ATOM 1026 CG LYS A 137 151.711 207.632 196.999 1.00 0.00 0.008 C +ATOM 1027 CD LYS A 137 151.951 207.967 195.551 1.00 0.00 0.061 C +ATOM 1028 CE LYS A 137 153.242 207.359 195.044 1.00 0.00 0.258 C +ATOM 1029 NZ LYS A 137 153.325 207.488 193.563 1.00 0.00 -0.357 N +ATOM 1030 HZ1 LYS A 137 154.085 207.130 193.269 1.00 0.00 0.345 HD +ATOM 1031 HZ2 LYS A 137 152.640 207.067 193.183 1.00 0.00 0.345 HD +ATOM 1032 HZ3 LYS A 137 153.301 208.347 193.331 1.00 0.00 0.345 HD +ATOM 1033 H LYS A 137 148.879 208.006 195.722 1.00 0.00 0.164 HD +ATOM 1034 C SER A 138 148.057 207.165 202.217 1.00 0.00 0.244 C +ATOM 1035 O SER A 138 148.826 206.203 202.185 1.00 0.00 -0.272 OA +ATOM 1036 CA SER A 138 147.427 207.699 200.943 1.00 0.00 0.197 C +ATOM 1037 N SER A 138 148.226 207.299 199.794 1.00 0.00 -0.342 N +ATOM 1038 CB SER A 138 145.995 207.188 200.816 1.00 0.00 0.191 C +ATOM 1039 OG SER A 138 145.953 205.777 200.915 1.00 0.00 -0.392 OA +ATOM 1040 HG SER A 138 145.161 205.507 200.844 1.00 0.00 0.210 HD +ATOM 1041 H SER A 138 148.642 206.554 199.904 1.00 0.00 0.164 HD +ATOM 1042 C TRP A 139 147.657 206.002 205.024 1.00 0.00 0.242 C +ATOM 1043 O TRP A 139 148.293 205.234 205.741 1.00 0.00 -0.272 OA +ATOM 1044 CA TRP A 139 148.249 207.343 204.617 1.00 0.00 0.175 C +ATOM 1045 N TRP A 139 147.723 207.786 203.341 1.00 0.00 -0.343 N +ATOM 1046 CB TRP A 139 147.979 208.369 205.708 1.00 0.00 0.072 C +ATOM 1047 CG TRP A 139 148.799 208.087 206.906 1.00 0.00 -0.020 A +ATOM 1048 CD1 TRP A 139 148.414 207.418 208.030 1.00 0.00 0.087 A +ATOM 1049 CD2 TRP A 139 150.172 208.430 207.091 1.00 0.00 0.003 A +ATOM 1050 NE1 TRP A 139 149.462 207.337 208.912 1.00 0.00 -0.359 N +ATOM 1051 CE2 TRP A 139 150.554 207.952 208.357 1.00 0.00 0.046 A +ATOM 1052 CE3 TRP A 139 151.113 209.105 206.311 1.00 0.00 0.010 A +ATOM 1053 HE1 TRP A 139 149.438 206.961 209.685 1.00 0.00 0.166 HD +ATOM 1054 CZ2 TRP A 139 151.837 208.126 208.861 1.00 0.00 0.026 A +ATOM 1055 CZ3 TRP A 139 152.382 209.281 206.815 1.00 0.00 0.001 A +ATOM 1056 CH2 TRP A 139 152.735 208.792 208.077 1.00 0.00 0.002 A +ATOM 1057 H TRP A 139 147.196 208.464 203.389 1.00 0.00 0.164 HD +ATOM 1058 C GLU A 140 146.623 203.324 204.216 1.00 0.00 0.242 C +ATOM 1059 O GLU A 140 146.873 202.295 204.839 1.00 0.00 -0.273 OA +ATOM 1060 CA GLU A 140 145.807 204.444 204.851 1.00 0.00 0.171 C +ATOM 1061 N GLU A 140 146.438 205.727 204.575 1.00 0.00 -0.344 N +ATOM 1062 CB GLU A 140 144.368 204.417 204.327 1.00 0.00 0.041 C +ATOM 1063 CG GLU A 140 143.640 203.102 204.576 1.00 0.00 0.055 C +ATOM 1064 CD GLU A 140 143.500 202.772 206.051 1.00 0.00 0.041 C +ATOM 1065 OE1 GLU A 140 143.480 203.708 206.879 1.00 0.00 -0.548 OA +ATOM 1066 OE2 GLU A 140 143.412 201.573 206.384 1.00 0.00 -0.549 OA +ATOM 1067 H GLU A 140 145.956 206.266 204.109 1.00 0.00 0.164 HD +ATOM 1068 C ALA A 141 149.188 202.337 202.835 1.00 0.00 0.243 C +ATOM 1069 O ALA A 141 149.687 201.214 202.912 1.00 0.00 -0.272 OA +ATOM 1070 CA ALA A 141 147.796 202.530 202.240 1.00 0.00 0.168 C +ATOM 1071 N ALA A 141 147.042 203.536 202.974 1.00 0.00 -0.344 N +ATOM 1072 CB ALA A 141 147.897 202.912 200.776 1.00 0.00 0.041 C +ATOM 1073 H ALA A 141 146.902 204.260 202.531 1.00 0.00 0.164 HD +ATOM 1074 C PHE A 142 151.129 202.658 205.214 1.00 0.00 0.243 C +ATOM 1075 O PHE A 142 151.933 201.763 205.473 1.00 0.00 -0.272 OA +ATOM 1076 CA PHE A 142 151.142 203.339 203.849 1.00 0.00 0.175 C +ATOM 1077 N PHE A 142 149.815 203.429 203.259 1.00 0.00 -0.343 N +ATOM 1078 CB PHE A 142 151.779 204.718 204.010 1.00 0.00 0.070 C +ATOM 1079 CG PHE A 142 152.899 204.729 205.005 1.00 0.00 -0.045 A +ATOM 1080 CD1 PHE A 142 154.118 204.154 204.696 1.00 0.00 0.004 A +ATOM 1081 CD2 PHE A 142 152.720 205.268 206.266 1.00 0.00 0.004 A +ATOM 1082 CE1 PHE A 142 155.146 204.137 205.619 1.00 0.00 0.000 A +ATOM 1083 CE2 PHE A 142 153.744 205.253 207.191 1.00 0.00 0.000 A +ATOM 1084 CZ PHE A 142 154.957 204.687 206.867 1.00 0.00 0.000 A +ATOM 1085 H PHE A 142 149.497 204.227 203.216 1.00 0.00 0.164 HD +ATOM 1086 C SER A 143 149.664 201.424 207.873 1.00 0.00 0.244 C +ATOM 1087 O SER A 143 150.054 200.809 208.863 1.00 0.00 -0.272 OA +ATOM 1088 CA SER A 143 150.287 202.769 207.501 1.00 0.00 0.197 C +ATOM 1089 N SER A 143 150.216 203.089 206.079 1.00 0.00 -0.342 N +ATOM 1090 CB SER A 143 149.609 203.878 208.312 1.00 0.00 0.191 C +ATOM 1091 OG SER A 143 148.212 203.899 208.085 1.00 0.00 -0.392 OA +ATOM 1092 HG SER A 143 148.055 204.035 207.271 1.00 0.00 0.210 HD +ATOM 1093 H SER A 143 149.539 203.574 205.864 1.00 0.00 0.164 HD +ATOM 1094 C ASN A 144 148.704 198.504 207.026 1.00 0.00 0.242 C +ATOM 1095 O ASN A 144 148.712 198.117 205.858 1.00 0.00 -0.273 OA +ATOM 1096 CA ASN A 144 147.945 199.767 207.429 1.00 0.00 0.180 C +ATOM 1097 N ASN A 144 148.697 200.969 207.087 1.00 0.00 -0.342 N +ATOM 1098 CB ASN A 144 146.569 199.813 206.764 1.00 0.00 0.134 C +ATOM 1099 CG ASN A 144 145.613 198.763 207.302 1.00 0.00 0.220 C +ATOM 1100 OD1 ASN A 144 146.010 197.666 207.681 1.00 0.00 -0.275 OA +ATOM 1101 ND2 ASN A 144 144.334 199.104 207.331 1.00 0.00 -0.368 N +ATOM 1102 HD22 ASN A 144 144.094 199.879 207.045 1.00 0.00 0.159 HD +ATOM 1103 HD21 ASN A 144 143.630 198.445 207.694 1.00 0.00 0.159 HD +ATOM 1104 H ASN A 144 148.454 201.338 206.349 1.00 0.00 0.164 HD +ATOM 1105 C LEU A 145 149.485 195.446 207.418 1.00 0.00 0.243 C +ATOM 1106 O LEU A 145 150.116 194.430 207.132 1.00 0.00 -0.272 OA +ATOM 1107 CA LEU A 145 150.224 196.737 207.769 1.00 0.00 0.172 C +ATOM 1108 N LEU A 145 149.329 197.865 208.010 1.00 0.00 -0.345 N +ATOM 1109 CB LEU A 145 151.106 196.494 208.997 1.00 0.00 0.038 C +ATOM 1110 CG LEU A 145 151.991 197.657 209.460 1.00 0.00 -0.015 C +ATOM 1111 CD1 LEU A 145 152.755 197.268 210.713 1.00 0.00 0.007 C +ATOM 1112 CD2 LEU A 145 152.953 198.088 208.369 1.00 0.00 0.007 C +ATOM 1113 H LEU A 145 149.250 198.070 208.842 1.00 0.00 0.165 HD +ATOM 1114 C SER A 146 147.230 194.027 205.674 1.00 0.00 0.244 C +ATOM 1115 O SER A 146 146.826 192.941 205.273 1.00 0.00 -0.272 OA +ATOM 1116 CA SER A 146 147.364 194.290 207.168 1.00 0.00 0.197 C +ATOM 1117 N SER A 146 148.157 195.484 207.436 1.00 0.00 -0.342 N +ATOM 1118 CB SER A 146 145.977 194.409 207.798 1.00 0.00 0.191 C +ATOM 1119 OG SER A 146 146.070 194.420 209.208 1.00 0.00 -0.392 OA +ATOM 1120 HG SER A 146 145.304 194.485 209.546 1.00 0.00 0.210 HD +ATOM 1121 H SER A 146 147.691 196.188 207.601 1.00 0.00 0.164 HD +ATOM 1122 C TYR A 147 148.878 194.324 202.871 1.00 0.00 0.243 C +ATOM 1123 O TYR A 147 149.946 194.700 203.352 1.00 0.00 -0.272 OA +ATOM 1124 CA TYR A 147 147.558 194.860 203.406 1.00 0.00 0.175 C +ATOM 1125 N TYR A 147 147.569 195.019 204.856 1.00 0.00 -0.343 N +ATOM 1126 CB TYR A 147 147.297 196.193 202.704 1.00 0.00 0.070 C +ATOM 1127 CG TYR A 147 145.899 196.760 202.778 1.00 0.00 -0.045 A +ATOM 1128 CD1 TYR A 147 145.527 197.605 203.814 1.00 0.00 0.007 A +ATOM 1129 CD2 TYR A 147 144.969 196.505 201.775 1.00 0.00 0.007 A +ATOM 1130 CE1 TYR A 147 144.266 198.150 203.868 1.00 0.00 0.046 A +ATOM 1131 CE2 TYR A 147 143.703 197.048 201.824 1.00 0.00 0.046 A +ATOM 1132 CZ TYR A 147 143.358 197.870 202.872 1.00 0.00 0.115 A +ATOM 1133 OH TYR A 147 142.102 198.416 202.931 1.00 0.00 -0.507 OA +ATOM 1134 HH TYR A 147 141.650 198.168 202.268 1.00 0.00 0.294 HD +ATOM 1135 H TYR A 147 147.811 195.801 205.119 1.00 0.00 0.164 HD +ATOM 1136 C TYR A 148 150.049 194.664 200.225 1.00 0.00 0.243 C +ATOM 1137 O TYR A 148 149.040 195.293 199.905 1.00 0.00 -0.272 OA +ATOM 1138 CA TYR A 148 149.913 193.322 200.934 1.00 0.00 0.175 C +ATOM 1139 N TYR A 148 148.803 193.464 201.863 1.00 0.00 -0.343 N +ATOM 1140 CB TYR A 148 149.672 192.212 199.910 1.00 0.00 0.070 C +ATOM 1141 CG TYR A 148 149.755 190.800 200.439 1.00 0.00 -0.045 A +ATOM 1142 CD1 TYR A 148 150.971 190.246 200.816 1.00 0.00 0.007 A +ATOM 1143 CD2 TYR A 148 148.620 190.006 200.522 1.00 0.00 0.007 A +ATOM 1144 CE1 TYR A 148 151.048 188.948 201.284 1.00 0.00 0.046 A +ATOM 1145 CE2 TYR A 148 148.688 188.711 200.987 1.00 0.00 0.046 A +ATOM 1146 CZ TYR A 148 149.903 188.186 201.366 1.00 0.00 0.115 A +ATOM 1147 OH TYR A 148 149.969 186.894 201.829 1.00 0.00 -0.507 OA +ATOM 1148 HH TYR A 148 149.203 186.549 201.826 1.00 0.00 0.294 HD +ATOM 1149 H TYR A 148 148.129 192.957 201.697 1.00 0.00 0.164 HD +ATOM 1150 C THR A 149 151.442 196.018 197.747 1.00 0.00 0.245 C +ATOM 1151 O THR A 149 151.380 194.848 197.374 1.00 0.00 -0.273 OA +ATOM 1152 CA THR A 149 151.475 196.350 199.237 1.00 0.00 0.199 C +ATOM 1153 N THR A 149 151.275 195.115 199.985 1.00 0.00 -0.341 N +ATOM 1154 CB THR A 149 152.799 197.054 199.623 1.00 0.00 0.143 C +ATOM 1155 CG2 THR A 149 154.011 196.280 199.118 1.00 0.00 0.041 C +ATOM 1156 OG1 THR A 149 152.814 198.387 199.094 1.00 0.00 -0.389 OA +ATOM 1157 HG1 THR A 149 152.750 198.365 198.257 1.00 0.00 0.211 HD +ATOM 1158 H THR A 149 152.000 194.730 200.241 1.00 0.00 0.164 HD +ATOM 1159 C ARG A 150 152.464 197.590 194.690 1.00 0.00 0.242 C +ATOM 1160 O ARG A 150 152.743 198.759 194.947 1.00 0.00 -0.273 OA +ATOM 1161 CA ARG A 150 151.374 196.851 195.460 1.00 0.00 0.171 C +ATOM 1162 N ARG A 150 151.462 197.044 196.903 1.00 0.00 -0.344 N +ATOM 1163 CB ARG A 150 149.997 197.295 194.969 1.00 0.00 0.038 C +ATOM 1164 CG ARG A 150 148.889 196.329 195.340 1.00 0.00 0.040 C +ATOM 1165 CD ARG A 150 148.905 195.114 194.429 1.00 0.00 0.197 C +ATOM 1166 NE ARG A 150 148.285 195.405 193.140 1.00 0.00 -0.278 N +ATOM 1167 HE ARG A 150 148.798 195.648 192.494 1.00 0.00 0.260 HD +ATOM 1168 CZ ARG A 150 146.981 195.320 192.899 1.00 0.00 0.339 C +ATOM 1169 NH1 ARG A 150 146.141 194.949 193.855 1.00 0.00 -0.290 N +ATOM 1170 NH2 ARG A 150 146.512 195.608 191.694 1.00 0.00 -0.290 N +ATOM 1171 HH12 ARG A 150 146.438 194.761 194.640 1.00 0.00 0.256 HD +ATOM 1172 HH11 ARG A 150 145.298 194.896 193.691 1.00 0.00 0.256 HD +ATOM 1173 HH22 ARG A 150 147.051 195.849 191.069 1.00 0.00 0.256 HD +ATOM 1174 HH21 ARG A 150 145.669 195.552 191.536 1.00 0.00 0.256 HD +ATOM 1175 H ARG A 150 151.526 197.868 197.142 1.00 0.00 0.164 HD +ATOM 1176 C ALA A 151 153.463 198.340 191.817 1.00 0.00 0.243 C +ATOM 1177 O ALA A 151 153.966 199.417 191.498 1.00 0.00 -0.272 OA +ATOM 1178 CA ALA A 151 154.106 197.472 192.895 1.00 0.00 0.168 C +ATOM 1179 N ALA A 151 153.081 196.886 193.746 1.00 0.00 -0.344 N +ATOM 1180 CB ALA A 151 154.960 196.387 192.269 1.00 0.00 0.041 C +ATOM 1181 H ALA A 151 152.922 196.058 193.579 1.00 0.00 0.164 HD +ATOM 1182 C LEU A 152 150.145 198.857 191.033 1.00 0.00 0.243 C +ATOM 1183 O LEU A 152 149.605 197.930 191.634 1.00 0.00 -0.272 OA +ATOM 1184 CA LEU A 152 151.506 198.661 190.381 1.00 0.00 0.172 C +ATOM 1185 N LEU A 152 152.357 197.856 191.255 1.00 0.00 -0.345 N +ATOM 1186 CB LEU A 152 151.330 198.006 189.009 1.00 0.00 0.038 C +ATOM 1187 CG LEU A 152 152.468 198.118 187.993 1.00 0.00 -0.015 C +ATOM 1188 CD1 LEU A 152 152.059 197.426 186.706 1.00 0.00 0.007 C +ATOM 1189 CD2 LEU A 152 152.844 199.569 187.723 1.00 0.00 0.007 C +ATOM 1190 H LEU A 152 152.075 197.051 191.366 1.00 0.00 0.165 HD +ATOM 1191 C PRO A 153 147.167 199.499 190.890 1.00 0.00 0.243 C +ATOM 1192 O PRO A 153 147.329 199.071 189.746 1.00 0.00 -0.271 OA +ATOM 1193 CA PRO A 153 148.282 200.293 191.556 1.00 0.00 0.175 C +ATOM 1194 N PRO A 153 149.575 200.062 190.908 1.00 0.00 -0.329 N +ATOM 1195 CB PRO A 153 148.069 201.797 191.384 1.00 0.00 0.037 C +ATOM 1196 CG PRO A 153 148.836 202.146 190.161 1.00 0.00 0.024 C +ATOM 1197 CD PRO A 153 150.024 201.232 190.134 1.00 0.00 0.121 C +ATOM 1198 C PRO A 154 144.306 199.371 189.842 1.00 0.00 0.243 C +ATOM 1199 O PRO A 154 144.343 200.602 189.834 1.00 0.00 -0.271 OA +ATOM 1200 CA PRO A 154 144.903 198.600 191.009 1.00 0.00 0.175 C +ATOM 1201 N PRO A 154 146.051 199.292 191.600 1.00 0.00 -0.329 N +ATOM 1202 CB PRO A 154 143.906 198.515 192.170 1.00 0.00 0.037 C +ATOM 1203 CG PRO A 154 144.312 199.604 193.102 1.00 0.00 0.024 C +ATOM 1204 CD PRO A 154 145.799 199.674 192.998 1.00 0.00 0.121 C +ATOM 1205 C VAL A 155 141.814 199.961 188.412 1.00 0.00 0.243 C +ATOM 1206 O VAL A 155 141.085 199.332 189.177 1.00 0.00 -0.272 OA +ATOM 1207 CA VAL A 155 143.023 199.270 187.787 1.00 0.00 0.173 C +ATOM 1208 N VAL A 155 143.774 198.648 188.865 1.00 0.00 -0.343 N +ATOM 1209 CB VAL A 155 142.561 198.242 186.736 1.00 0.00 0.015 C +ATOM 1210 CG1 VAL A 155 141.786 198.925 185.608 1.00 0.00 0.010 C +ATOM 1211 CG2 VAL A 155 143.755 197.478 186.178 1.00 0.00 0.010 C +ATOM 1212 H VAL A 155 143.835 197.792 188.804 1.00 0.00 0.164 HD +ATOM 1213 C PRO A 156 139.126 201.204 188.387 1.00 0.00 0.243 C +ATOM 1214 O PRO A 156 139.056 200.420 187.443 1.00 0.00 -0.271 OA +ATOM 1215 CA PRO A 156 140.433 201.930 188.694 1.00 0.00 0.175 C +ATOM 1216 N PRO A 156 141.602 201.257 188.112 1.00 0.00 -0.329 N +ATOM 1217 CB PRO A 156 140.459 203.327 188.054 1.00 0.00 0.037 C +ATOM 1218 CG PRO A 156 141.547 203.310 187.035 1.00 0.00 0.024 C +ATOM 1219 CD PRO A 156 142.464 202.191 187.369 1.00 0.00 0.121 C +ATOM 1220 C ASP A 157 136.115 200.842 187.840 1.00 0.00 0.242 C +ATOM 1221 O ASP A 157 135.990 199.884 187.077 1.00 0.00 -0.273 OA +ATOM 1222 CA ASP A 157 136.872 200.689 189.154 1.00 0.00 0.176 C +ATOM 1223 N ASP A 157 138.103 201.469 189.191 1.00 0.00 -0.343 N +ATOM 1224 CB ASP A 157 135.975 201.084 190.327 1.00 0.00 0.087 C +ATOM 1225 CG ASP A 157 136.638 200.845 191.670 1.00 0.00 0.044 C +ATOM 1226 OD1 ASP A 157 137.291 199.791 191.830 1.00 0.00 -0.548 OA +ATOM 1227 OD2 ASP A 157 136.518 201.712 192.560 1.00 0.00 -0.549 OA +ATOM 1228 H ASP A 157 138.096 202.103 189.773 1.00 0.00 0.164 HD +ATOM 1229 C ASP A 158 135.729 202.442 185.171 1.00 0.00 0.242 C +ATOM 1230 O ASP A 158 135.989 203.561 184.727 1.00 0.00 -0.273 OA +ATOM 1231 CA ASP A 158 134.810 202.271 186.378 1.00 0.00 0.176 C +ATOM 1232 N ASP A 158 135.605 202.040 187.578 1.00 0.00 -0.343 N +ATOM 1233 CB ASP A 158 133.901 203.496 186.556 1.00 0.00 0.087 C +ATOM 1234 CG ASP A 158 132.666 203.446 185.670 1.00 0.00 0.044 C +ATOM 1235 OD1 ASP A 158 132.130 202.340 185.448 1.00 0.00 -0.548 OA +ATOM 1236 OD2 ASP A 158 132.226 204.517 185.201 1.00 0.00 -0.549 OA +ATOM 1237 H ASP A 158 135.704 202.734 188.077 1.00 0.00 0.164 HD +ATOM 1238 CB CYS A 159 138.426 200.670 183.784 1.00 0.00 0.116 C +ATOM 1239 SG CYS A 159 139.632 201.811 184.475 1.00 0.00 -0.092 SA +ATOM 1240 CA CYS A 159 137.076 201.314 183.472 1.00 0.00 0.183 C +ATOM 1241 C CYS A 159 136.405 200.572 182.320 1.00 0.00 0.244 C +ATOM 1242 N CYS A 159 136.221 201.319 184.654 1.00 0.00 -0.343 N +ATOM 1243 O CYS A 159 135.601 199.670 182.551 1.00 0.00 -0.272 OA +ATOM 1244 H CYS A 159 136.071 200.535 184.976 1.00 0.00 0.164 HD +ATOM 1245 C PRO A 160 136.350 198.757 179.934 1.00 0.00 0.243 C +ATOM 1246 O PRO A 160 135.470 198.032 179.470 1.00 0.00 -0.271 OA +ATOM 1247 CA PRO A 160 136.184 200.273 179.891 1.00 0.00 0.175 C +ATOM 1248 N PRO A 160 136.736 200.948 181.072 1.00 0.00 -0.329 N +ATOM 1249 CB PRO A 160 136.991 200.878 178.742 1.00 0.00 0.037 C +ATOM 1250 CG PRO A 160 137.354 202.230 179.226 1.00 0.00 0.024 C +ATOM 1251 CD PRO A 160 137.598 202.083 180.694 1.00 0.00 0.121 C +ATOM 1252 C THR A 161 138.342 196.603 182.004 1.00 0.00 0.245 C +ATOM 1253 O THR A 161 138.824 197.530 182.653 1.00 0.00 -0.273 OA +ATOM 1254 CA THR A 161 137.715 196.866 180.638 1.00 0.00 0.199 C +ATOM 1255 N THR A 161 137.468 198.293 180.482 1.00 0.00 -0.341 N +ATOM 1256 CB THR A 161 138.643 196.317 179.534 1.00 0.00 0.143 C +ATOM 1257 CG2 THR A 161 138.252 196.869 178.172 1.00 0.00 0.041 C +ATOM 1258 OG1 THR A 161 140.000 196.671 179.823 1.00 0.00 -0.389 OA +ATOM 1259 HG1 THR A 161 140.508 196.374 179.223 1.00 0.00 0.211 HD +ATOM 1260 H THR A 161 138.106 198.791 180.774 1.00 0.00 0.164 HD +ATOM 1261 C PRO A 162 140.382 195.396 183.880 1.00 0.00 0.243 C +ATOM 1262 O PRO A 162 140.789 195.801 184.968 1.00 0.00 -0.271 OA +ATOM 1263 CA PRO A 162 138.926 194.959 183.734 1.00 0.00 0.175 C +ATOM 1264 N PRO A 162 138.328 195.337 182.449 1.00 0.00 -0.329 N +ATOM 1265 CB PRO A 162 138.816 193.433 183.726 1.00 0.00 0.037 C +ATOM 1266 CG PRO A 162 137.629 193.157 182.887 1.00 0.00 0.024 C +ATOM 1267 CD PRO A 162 137.644 194.198 181.812 1.00 0.00 0.121 C +ATOM 1268 C LEU A 163 142.823 197.121 182.542 1.00 0.00 0.243 C +ATOM 1269 O LEU A 163 143.930 197.616 182.745 1.00 0.00 -0.272 OA +ATOM 1270 CA LEU A 163 142.568 195.647 182.829 1.00 0.00 0.172 C +ATOM 1271 N LEU A 163 141.147 195.317 182.796 1.00 0.00 -0.345 N +ATOM 1272 CB LEU A 163 143.332 194.791 181.820 1.00 0.00 0.038 C +ATOM 1273 CG LEU A 163 143.247 193.280 182.033 1.00 0.00 -0.015 C +ATOM 1274 CD1 LEU A 163 143.952 192.555 180.908 1.00 0.00 0.007 C +ATOM 1275 CD2 LEU A 163 143.835 192.879 183.376 1.00 0.00 0.007 C +ATOM 1276 H LEU A 163 140.864 195.072 182.021 1.00 0.00 0.165 HD +ATOM 1277 C GLY A 164 141.071 199.544 180.512 1.00 0.00 0.239 C +ATOM 1278 O GLY A 164 139.871 199.784 180.621 1.00 0.00 -0.273 OA +ATOM 1279 CA GLY A 164 141.906 199.222 181.735 1.00 0.00 0.216 C +ATOM 1280 N GLY A 164 141.794 197.815 182.068 1.00 0.00 -0.346 N +ATOM 1281 H GLY A 164 141.012 197.485 181.929 1.00 0.00 0.164 HD +ATOM 1282 C VAL A 165 141.211 198.536 177.167 1.00 0.00 0.243 C +ATOM 1283 O VAL A 165 140.345 198.223 176.352 1.00 0.00 -0.272 OA +ATOM 1284 CA VAL A 165 141.029 199.749 178.074 1.00 0.00 0.173 C +ATOM 1285 N VAL A 165 141.715 199.545 179.347 1.00 0.00 -0.343 N +ATOM 1286 CB VAL A 165 141.538 201.013 177.344 1.00 0.00 0.015 C +ATOM 1287 CG1 VAL A 165 141.205 202.261 178.146 1.00 0.00 0.010 C +ATOM 1288 CG2 VAL A 165 143.037 200.925 177.084 1.00 0.00 0.010 C +ATOM 1289 H VAL A 165 142.563 199.427 179.267 1.00 0.00 0.164 HD +ATOM 1290 C LYS A 166 141.812 195.479 176.881 1.00 0.00 0.242 C +ATOM 1291 O LYS A 166 141.258 195.417 177.978 1.00 0.00 -0.273 OA +ATOM 1292 CA LYS A 166 142.659 196.691 176.499 1.00 0.00 0.171 C +ATOM 1293 N LYS A 166 142.341 197.855 177.319 1.00 0.00 -0.344 N +ATOM 1294 CB LYS A 166 144.144 196.346 176.628 1.00 0.00 0.035 C +ATOM 1295 CG LYS A 166 145.085 197.425 176.115 1.00 0.00 0.008 C +ATOM 1296 CD LYS A 166 145.023 197.541 174.602 1.00 0.00 0.061 C +ATOM 1297 CE LYS A 166 146.063 198.514 174.074 1.00 0.00 0.258 C +ATOM 1298 NZ LYS A 166 146.056 198.577 172.585 1.00 0.00 -0.357 N +ATOM 1299 HZ1 LYS A 166 146.672 199.153 172.302 1.00 0.00 0.345 HD +ATOM 1300 HZ2 LYS A 166 146.233 197.774 172.245 1.00 0.00 0.345 HD +ATOM 1301 HZ3 LYS A 166 145.257 198.843 172.296 1.00 0.00 0.345 HD +ATOM 1302 H LYS A 166 142.948 198.049 177.897 1.00 0.00 0.164 HD +ATOM 1303 C GLY A 167 139.496 193.431 176.004 1.00 0.00 0.239 C +ATOM 1304 O GLY A 167 139.007 194.508 175.664 1.00 0.00 -0.273 OA +ATOM 1305 CA GLY A 167 140.991 193.289 176.218 1.00 0.00 0.216 C +ATOM 1306 N GLY A 167 141.717 194.520 175.966 1.00 0.00 -0.346 N +ATOM 1307 H GLY A 167 142.070 194.563 175.183 1.00 0.00 0.164 HD +ATOM 1308 C GLN A 170 136.098 189.399 180.071 1.00 0.00 0.242 C +ATOM 1309 O GLN A 170 136.393 189.006 178.941 1.00 0.00 -0.273 OA +ATOM 1310 CA GLN A 170 134.849 190.240 180.298 1.00 0.00 0.171 C +ATOM 1311 N GLN A 170 134.794 191.327 179.326 1.00 0.00 -0.343 N +ATOM 1312 CB GLN A 170 133.597 189.367 180.193 1.00 0.00 0.045 C +ATOM 1313 CG GLN A 170 133.462 188.330 181.296 1.00 0.00 0.102 C +ATOM 1314 CD GLN A 170 132.328 187.357 181.041 1.00 0.00 0.217 C +ATOM 1315 OE1 GLN A 170 132.421 186.495 180.167 1.00 0.00 -0.275 OA +ATOM 1316 NE2 GLN A 170 131.248 187.494 181.801 1.00 0.00 -0.368 N +ATOM 1317 HE22 GLN A 170 131.219 188.110 182.400 1.00 0.00 0.159 HD +ATOM 1318 HE21 GLN A 170 130.578 186.965 181.695 1.00 0.00 0.159 HD +ATOM 1319 H GLN A 170 134.792 191.059 178.509 1.00 0.00 0.164 HD +ATOM 1320 C LEU A 171 137.657 186.867 180.759 1.00 0.00 0.243 C +ATOM 1321 O LEU A 171 136.572 186.420 181.130 1.00 0.00 -0.272 OA +ATOM 1322 CA LEU A 171 138.034 188.315 181.053 1.00 0.00 0.172 C +ATOM 1323 N LEU A 171 136.834 189.135 181.145 1.00 0.00 -0.345 N +ATOM 1324 CB LEU A 171 138.846 188.398 182.346 1.00 0.00 0.038 C +ATOM 1325 CG LEU A 171 139.539 189.735 182.609 1.00 0.00 -0.015 C +ATOM 1326 CD1 LEU A 171 139.977 189.834 184.061 1.00 0.00 0.007 C +ATOM 1327 CD2 LEU A 171 140.730 189.916 181.676 1.00 0.00 0.007 C +ATOM 1328 H LEU A 171 136.660 189.420 181.937 1.00 0.00 0.165 HD +ATOM 1329 C PRO A 172 138.013 183.874 181.007 1.00 0.00 0.243 C +ATOM 1330 O PRO A 172 138.494 184.205 182.089 1.00 0.00 -0.271 OA +ATOM 1331 CA PRO A 172 138.274 184.722 179.765 1.00 0.00 0.175 C +ATOM 1332 N PRO A 172 138.550 186.128 180.084 1.00 0.00 -0.329 N +ATOM 1333 CB PRO A 172 139.549 184.263 179.044 1.00 0.00 0.037 C +ATOM 1334 CG PRO A 172 140.577 185.303 179.340 1.00 0.00 0.024 C +ATOM 1335 CD PRO A 172 139.844 186.573 179.541 1.00 0.00 0.121 C +ATOM 1336 C ASP A 173 138.282 181.322 182.492 1.00 0.00 0.242 C +ATOM 1337 O ASP A 173 139.142 180.867 181.739 1.00 0.00 -0.273 OA +ATOM 1338 CA ASP A 173 136.974 181.873 181.935 1.00 0.00 0.176 C +ATOM 1339 N ASP A 173 137.246 182.800 180.843 1.00 0.00 -0.343 N +ATOM 1340 CB ASP A 173 136.070 180.735 181.456 1.00 0.00 0.087 C +ATOM 1341 CG ASP A 173 136.017 179.581 182.435 1.00 0.00 0.044 C +ATOM 1342 OD1 ASP A 173 136.747 178.590 182.226 1.00 0.00 -0.548 OA +ATOM 1343 OD2 ASP A 173 135.248 179.665 183.414 1.00 0.00 -0.549 OA +ATOM 1344 H ASP A 173 136.868 182.586 180.101 1.00 0.00 0.164 HD +ATOM 1345 C SER A 174 139.991 179.538 184.409 1.00 0.00 0.244 C +ATOM 1346 O SER A 174 141.140 179.134 184.241 1.00 0.00 -0.272 OA +ATOM 1347 CA SER A 174 139.697 181.036 184.450 1.00 0.00 0.197 C +ATOM 1348 N SER A 174 138.428 181.369 183.812 1.00 0.00 -0.342 N +ATOM 1349 CB SER A 174 139.709 181.534 185.899 1.00 0.00 0.191 C +ATOM 1350 OG SER A 174 138.604 181.029 186.628 1.00 0.00 -0.392 OA +ATOM 1351 HG SER A 174 138.628 181.313 187.419 1.00 0.00 0.210 HD +ATOM 1352 H SER A 174 137.806 181.592 184.363 1.00 0.00 0.164 HD +ATOM 1353 C ASN A 175 139.548 176.823 183.099 1.00 0.00 0.242 C +ATOM 1354 O ASN A 175 140.256 175.828 182.937 1.00 0.00 -0.273 OA +ATOM 1355 CA ASN A 175 139.129 177.268 184.497 1.00 0.00 0.180 C +ATOM 1356 N ASN A 175 138.958 178.716 184.560 1.00 0.00 -0.342 N +ATOM 1357 CB ASN A 175 137.842 176.555 184.913 1.00 0.00 0.134 C +ATOM 1358 CG ASN A 175 137.879 175.067 184.623 1.00 0.00 0.220 C +ATOM 1359 OD1 ASN A 175 138.575 174.307 185.296 1.00 0.00 -0.275 OA +ATOM 1360 ND2 ASN A 175 137.120 174.643 183.620 1.00 0.00 -0.368 N +ATOM 1361 HD22 ASN A 175 137.105 173.807 183.415 1.00 0.00 0.159 HD +ATOM 1362 HD21 ASN A 175 136.643 175.203 183.175 1.00 0.00 0.159 HD +ATOM 1363 H ASN A 175 138.148 178.970 184.699 1.00 0.00 0.164 HD +ATOM 1364 C GLU A 176 140.961 177.637 180.487 1.00 0.00 0.242 C +ATOM 1365 O GLU A 176 141.671 176.907 179.797 1.00 0.00 -0.273 OA +ATOM 1366 CA GLU A 176 139.490 177.298 180.713 1.00 0.00 0.171 C +ATOM 1367 N GLU A 176 139.109 177.570 182.092 1.00 0.00 -0.344 N +ATOM 1368 CB GLU A 176 138.603 178.088 179.751 1.00 0.00 0.041 C +ATOM 1369 CG GLU A 176 138.859 177.792 178.282 1.00 0.00 0.055 C +ATOM 1370 CD GLU A 176 137.820 178.414 177.367 1.00 0.00 0.041 C +ATOM 1371 OE1 GLU A 176 136.782 178.893 177.873 1.00 0.00 -0.548 OA +ATOM 1372 OE2 GLU A 176 138.041 178.424 176.139 1.00 0.00 -0.549 OA +ATOM 1373 H GLU A 176 138.585 178.246 182.183 1.00 0.00 0.164 HD +ATOM 1374 C ILE A 177 143.673 178.016 181.610 1.00 0.00 0.243 C +ATOM 1375 O ILE A 177 144.722 177.674 181.071 1.00 0.00 -0.272 OA +ATOM 1376 CA ILE A 177 142.816 179.123 181.015 1.00 0.00 0.174 C +ATOM 1377 N ILE A 177 141.409 178.745 181.070 1.00 0.00 -0.343 N +ATOM 1378 CB ILE A 177 143.086 180.443 181.772 1.00 0.00 0.018 C +ATOM 1379 CG2 ILE A 177 144.595 180.675 181.957 1.00 0.00 0.010 C +ATOM 1380 CG1 ILE A 177 142.468 181.620 181.016 1.00 0.00 0.002 C +ATOM 1381 CD1 ILE A 177 142.566 182.941 181.744 1.00 0.00 0.004 C +ATOM 1382 H ILE A 177 140.915 179.297 181.507 1.00 0.00 0.164 HD +ATOM 1383 C VAL A 178 144.139 175.187 182.584 1.00 0.00 0.243 C +ATOM 1384 O VAL A 178 145.258 174.753 182.307 1.00 0.00 -0.272 OA +ATOM 1385 CA VAL A 178 143.979 176.441 183.434 1.00 0.00 0.173 C +ATOM 1386 N VAL A 178 143.220 177.463 182.727 1.00 0.00 -0.343 N +ATOM 1387 CB VAL A 178 143.306 176.075 184.771 1.00 0.00 0.015 C +ATOM 1388 CG1 VAL A 178 143.930 174.831 185.381 1.00 0.00 0.010 C +ATOM 1389 CG2 VAL A 178 143.410 177.239 185.742 1.00 0.00 0.010 C +ATOM 1390 H VAL A 178 142.470 177.663 183.099 1.00 0.00 0.164 HD +ATOM 1391 C GLU A 179 143.768 173.492 180.099 1.00 0.00 0.242 C +ATOM 1392 O GLU A 179 144.574 172.634 179.742 1.00 0.00 -0.273 OA +ATOM 1393 CA GLU A 179 143.023 173.358 181.425 1.00 0.00 0.171 C +ATOM 1394 N GLU A 179 143.016 174.607 182.177 1.00 0.00 -0.344 N +ATOM 1395 CB GLU A 179 141.588 172.889 181.176 1.00 0.00 0.041 C +ATOM 1396 CG GLU A 179 140.848 172.506 182.450 1.00 0.00 0.055 C +ATOM 1397 CD GLU A 179 139.427 172.040 182.192 1.00 0.00 0.041 C +ATOM 1398 OE1 GLU A 179 138.902 172.297 181.087 1.00 0.00 -0.548 OA +ATOM 1399 OE2 GLU A 179 138.835 171.413 183.097 1.00 0.00 -0.549 OA +ATOM 1400 H GLU A 179 142.229 174.920 182.326 1.00 0.00 0.164 HD +ATOM 1401 C LYS A 180 145.592 175.094 178.119 1.00 0.00 0.242 C +ATOM 1402 O LYS A 180 146.331 174.731 177.204 1.00 0.00 -0.273 OA +ATOM 1403 CA LYS A 180 144.096 174.783 178.063 1.00 0.00 0.171 C +ATOM 1404 N LYS A 180 143.505 174.576 179.381 1.00 0.00 -0.344 N +ATOM 1405 CB LYS A 180 143.376 175.920 177.334 1.00 0.00 0.035 C +ATOM 1406 CG LYS A 180 141.904 175.666 177.051 1.00 0.00 0.008 C +ATOM 1407 CD LYS A 180 141.704 174.741 175.861 1.00 0.00 0.061 C +ATOM 1408 CE LYS A 180 140.258 174.751 175.384 1.00 0.00 0.258 C +ATOM 1409 NZ LYS A 180 139.811 176.111 174.962 1.00 0.00 -0.357 N +ATOM 1410 HZ1 LYS A 180 138.964 176.081 174.690 1.00 0.00 0.345 HD +ATOM 1411 HZ2 LYS A 180 139.876 176.678 175.645 1.00 0.00 0.345 HD +ATOM 1412 HZ3 LYS A 180 140.320 176.403 174.293 1.00 0.00 0.345 HD +ATOM 1413 H LYS A 180 142.985 175.212 179.635 1.00 0.00 0.164 HD +ATOM 1414 C LEU A 181 148.253 175.858 180.407 1.00 0.00 0.243 C +ATOM 1415 O LEU A 181 149.466 175.724 180.263 1.00 0.00 -0.272 OA +ATOM 1416 CA LEU A 181 147.392 176.317 179.231 1.00 0.00 0.172 C +ATOM 1417 N LEU A 181 146.035 175.761 179.185 1.00 0.00 -0.345 N +ATOM 1418 CB LEU A 181 147.320 177.845 179.256 1.00 0.00 0.038 C +ATOM 1419 CG LEU A 181 146.684 178.508 178.035 1.00 0.00 -0.015 C +ATOM 1420 CD1 LEU A 181 146.423 179.974 178.307 1.00 0.00 0.007 C +ATOM 1421 CD2 LEU A 181 147.578 178.343 176.819 1.00 0.00 0.007 C +ATOM 1422 H LEU A 181 145.572 175.906 179.894 1.00 0.00 0.165 HD +ATOM 1423 C LEU A 182 148.403 173.956 183.260 1.00 0.00 0.243 C +ATOM 1424 O LEU A 182 149.344 173.504 183.911 1.00 0.00 -0.272 OA +ATOM 1425 CA LEU A 182 148.407 175.408 182.795 1.00 0.00 0.172 C +ATOM 1426 N LEU A 182 147.642 175.632 181.567 1.00 0.00 -0.345 N +ATOM 1427 CB LEU A 182 147.864 176.296 183.920 1.00 0.00 0.038 C +ATOM 1428 CG LEU A 182 147.791 177.797 183.627 1.00 0.00 -0.015 C +ATOM 1429 CD1 LEU A 182 147.380 178.556 184.879 1.00 0.00 0.007 C +ATOM 1430 CD2 LEU A 182 149.113 178.329 183.086 1.00 0.00 0.007 C +ATOM 1431 H LEU A 182 146.789 175.603 181.672 1.00 0.00 0.165 HD +ATOM 1432 C LEU A 183 148.178 170.895 182.822 1.00 0.00 0.243 C +ATOM 1433 O LEU A 183 148.363 170.847 181.604 1.00 0.00 -0.272 OA +ATOM 1434 CA LEU A 183 147.167 171.870 183.426 1.00 0.00 0.172 C +ATOM 1435 N LEU A 183 147.346 173.227 182.925 1.00 0.00 -0.345 N +ATOM 1436 CB LEU A 183 145.742 171.399 183.141 1.00 0.00 0.038 C +ATOM 1437 CG LEU A 183 145.326 170.036 183.696 1.00 0.00 -0.015 C +ATOM 1438 CD1 LEU A 183 145.483 169.981 185.211 1.00 0.00 0.007 C +ATOM 1439 CD2 LEU A 183 143.892 169.751 183.297 1.00 0.00 0.007 C +ATOM 1440 H LEU A 183 146.715 173.496 182.406 1.00 0.00 0.165 HD +ATOM 1441 C ARG A 184 149.259 168.011 182.445 1.00 0.00 0.242 C +ATOM 1442 O ARG A 184 148.260 167.405 182.829 1.00 0.00 -0.273 OA +ATOM 1443 CA ARG A 184 149.840 169.157 183.262 1.00 0.00 0.171 C +ATOM 1444 N ARG A 184 148.826 170.118 183.685 1.00 0.00 -0.344 N +ATOM 1445 CB ARG A 184 150.568 168.586 184.481 1.00 0.00 0.038 C +ATOM 1446 CG ARG A 184 151.513 167.432 184.168 1.00 0.00 0.040 C +ATOM 1447 CD ARG A 184 152.224 166.958 185.419 1.00 0.00 0.197 C +ATOM 1448 NE ARG A 184 153.062 168.003 185.999 1.00 0.00 -0.278 N +ATOM 1449 HE ARG A 184 153.215 168.704 185.525 1.00 0.00 0.260 HD +ATOM 1450 CZ ARG A 184 153.606 167.941 187.209 1.00 0.00 0.339 C +ATOM 1451 NH1 ARG A 184 153.398 166.885 187.984 1.00 0.00 -0.290 N +ATOM 1452 NH2 ARG A 184 154.356 168.940 187.649 1.00 0.00 -0.290 N +ATOM 1453 HH12 ARG A 184 152.912 166.234 187.702 1.00 0.00 0.256 HD +ATOM 1454 HH11 ARG A 184 153.751 166.849 188.767 1.00 0.00 0.256 HD +ATOM 1455 HH22 ARG A 184 154.492 169.628 187.150 1.00 0.00 0.256 HD +ATOM 1456 HH21 ARG A 184 154.707 168.902 188.433 1.00 0.00 0.256 HD +ATOM 1457 H ARG A 184 148.693 170.129 184.535 1.00 0.00 0.164 HD +ATOM 1458 C ARG A 185 150.542 165.421 180.840 1.00 0.00 0.242 C +ATOM 1459 O ARG A 185 150.147 164.383 181.365 1.00 0.00 -0.273 OA +ATOM 1460 CA ARG A 185 149.569 166.551 180.514 1.00 0.00 0.171 C +ATOM 1461 N ARG A 185 149.903 167.719 181.321 1.00 0.00 -0.344 N +ATOM 1462 CB ARG A 185 149.607 166.896 179.024 1.00 0.00 0.038 C +ATOM 1463 CG ARG A 185 148.393 167.689 178.557 1.00 0.00 0.040 C +ATOM 1464 CD ARG A 185 148.787 168.942 177.796 1.00 0.00 0.197 C +ATOM 1465 NE ARG A 185 147.617 169.655 177.288 1.00 0.00 -0.278 N +ATOM 1466 HE ARG A 185 147.384 169.510 176.473 1.00 0.00 0.260 HD +ATOM 1467 CZ ARG A 185 146.887 170.511 177.997 1.00 0.00 0.339 C +ATOM 1468 NH1 ARG A 185 147.195 170.776 179.260 1.00 0.00 -0.290 N +ATOM 1469 NH2 ARG A 185 145.841 171.107 177.441 1.00 0.00 -0.290 N +ATOM 1470 HH12 ARG A 185 147.872 170.393 179.627 1.00 0.00 0.256 HD +ATOM 1471 HH11 ARG A 185 146.718 171.331 179.712 1.00 0.00 0.256 HD +ATOM 1472 HH22 ARG A 185 145.636 170.940 176.623 1.00 0.00 0.256 HD +ATOM 1473 HH21 ARG A 185 145.369 171.661 177.899 1.00 0.00 0.256 HD +ATOM 1474 H ARG A 185 150.548 168.189 181.000 1.00 0.00 0.164 HD +ATOM 1475 C LYS A 186 153.861 165.544 181.807 1.00 0.00 0.242 C +ATOM 1476 O LYS A 186 154.062 166.736 181.578 1.00 0.00 -0.273 OA +ATOM 1477 CA LYS A 186 152.891 164.749 180.945 1.00 0.00 0.171 C +ATOM 1478 N LYS A 186 151.814 165.638 180.524 1.00 0.00 -0.344 N +ATOM 1479 CB LYS A 186 153.606 164.143 179.734 1.00 0.00 0.035 C +ATOM 1480 CG LYS A 186 154.919 163.436 180.056 1.00 0.00 0.008 C +ATOM 1481 CD LYS A 186 155.584 162.908 178.792 1.00 0.00 0.061 C +ATOM 1482 CE LYS A 186 157.065 162.628 179.011 1.00 0.00 0.258 C +ATOM 1483 NZ LYS A 186 157.772 162.332 177.735 1.00 0.00 -0.357 N +ATOM 1484 HZ1 LYS A 186 158.634 162.173 177.894 1.00 0.00 0.345 HD +ATOM 1485 HZ2 LYS A 186 157.413 161.616 177.347 1.00 0.00 0.345 HD +ATOM 1486 HZ3 LYS A 186 157.704 163.026 177.181 1.00 0.00 0.345 HD +ATOM 1487 H LYS A 186 152.085 166.307 180.056 1.00 0.00 0.164 HD +ATOM 1488 C PHE A 187 156.587 166.101 182.994 1.00 0.00 0.243 C +ATOM 1489 O PHE A 187 157.252 165.373 182.259 1.00 0.00 -0.272 OA +ATOM 1490 CA PHE A 187 155.360 165.564 183.721 1.00 0.00 0.175 C +ATOM 1491 N PHE A 187 154.452 164.889 182.801 1.00 0.00 -0.343 N +ATOM 1492 CB PHE A 187 155.795 164.619 184.843 1.00 0.00 0.070 C +ATOM 1493 CG PHE A 187 156.815 165.215 185.773 1.00 0.00 -0.045 A +ATOM 1494 CD1 PHE A 187 156.439 166.135 186.737 1.00 0.00 0.004 A +ATOM 1495 CD2 PHE A 187 158.147 164.852 185.685 1.00 0.00 0.004 A +ATOM 1496 CE1 PHE A 187 157.374 166.686 187.594 1.00 0.00 0.000 A +ATOM 1497 CE2 PHE A 187 159.086 165.399 186.540 1.00 0.00 0.000 A +ATOM 1498 CZ PHE A 187 158.698 166.317 187.495 1.00 0.00 0.000 A +ATOM 1499 H PHE A 187 154.342 164.052 182.965 1.00 0.00 0.164 HD +ATOM 1500 C ILE A 188 159.031 168.398 183.719 1.00 0.00 0.243 C +ATOM 1501 O ILE A 188 158.815 169.346 184.470 1.00 0.00 -0.272 OA +ATOM 1502 CA ILE A 188 158.028 168.045 182.619 1.00 0.00 0.174 C +ATOM 1503 N ILE A 188 156.875 167.380 183.214 1.00 0.00 -0.343 N +ATOM 1504 CB ILE A 188 157.615 169.323 181.866 1.00 0.00 0.018 C +ATOM 1505 CG2 ILE A 188 158.839 170.015 181.270 1.00 0.00 0.010 C +ATOM 1506 CG1 ILE A 188 156.618 168.985 180.757 1.00 0.00 0.002 C +ATOM 1507 CD1 ILE A 188 155.853 170.178 180.239 1.00 0.00 0.004 C +ATOM 1508 H ILE A 188 156.406 167.895 183.718 1.00 0.00 0.164 HD +ATOM 1509 C PRO A 189 161.921 169.160 184.649 1.00 0.00 0.243 C +ATOM 1510 O PRO A 189 162.135 169.548 183.501 1.00 0.00 -0.271 OA +ATOM 1511 CA PRO A 189 161.099 167.901 184.894 1.00 0.00 0.175 C +ATOM 1512 N PRO A 189 160.133 167.635 183.823 1.00 0.00 -0.329 N +ATOM 1513 CB PRO A 189 161.988 166.657 184.872 1.00 0.00 0.037 C +ATOM 1514 CG PRO A 189 161.942 166.204 183.466 1.00 0.00 0.024 C +ATOM 1515 CD PRO A 189 160.557 166.507 182.976 1.00 0.00 0.121 C +ATOM 1516 C ASP A 190 164.551 170.717 185.024 1.00 0.00 0.242 C +ATOM 1517 O ASP A 190 165.277 169.855 185.514 1.00 0.00 -0.273 OA +ATOM 1518 CA ASP A 190 163.177 170.996 185.637 1.00 0.00 0.176 C +ATOM 1519 N ASP A 190 162.379 169.782 185.728 1.00 0.00 -0.343 N +ATOM 1520 CB ASP A 190 163.343 171.617 187.024 1.00 0.00 0.087 C +ATOM 1521 CG ASP A 190 164.309 172.777 187.030 1.00 0.00 0.044 C +ATOM 1522 OD1 ASP A 190 164.357 173.517 186.026 1.00 0.00 -0.548 OA +ATOM 1523 OD2 ASP A 190 165.024 172.947 188.036 1.00 0.00 -0.549 OA +ATOM 1524 H ASP A 190 162.239 169.517 186.534 1.00 0.00 0.164 HD +ATOM 1525 C PRO A 191 167.399 171.686 184.282 1.00 0.00 0.243 C +ATOM 1526 O PRO A 191 168.511 171.181 184.132 1.00 0.00 -0.271 OA +ATOM 1527 CA PRO A 191 166.255 171.241 183.370 1.00 0.00 0.175 C +ATOM 1528 N PRO A 191 164.920 171.443 183.951 1.00 0.00 -0.329 N +ATOM 1529 CB PRO A 191 166.215 172.093 182.095 1.00 0.00 0.037 C +ATOM 1530 CG PRO A 191 165.110 173.058 182.300 1.00 0.00 0.024 C +ATOM 1531 CD PRO A 191 164.101 172.352 183.131 1.00 0.00 0.121 C +ATOM 1532 C GLN A 192 168.370 172.002 187.251 1.00 0.00 0.242 C +ATOM 1533 O GLN A 192 169.262 172.140 188.087 1.00 0.00 -0.273 OA +ATOM 1534 CA GLN A 192 168.164 173.040 186.153 1.00 0.00 0.171 C +ATOM 1535 N GLN A 192 167.140 172.608 185.204 1.00 0.00 -0.343 N +ATOM 1536 CB GLN A 192 167.802 174.389 186.775 1.00 0.00 0.045 C +ATOM 1537 CG GLN A 192 167.913 175.556 185.809 1.00 0.00 0.102 C +ATOM 1538 CD GLN A 192 167.786 176.903 186.490 1.00 0.00 0.217 C +ATOM 1539 OE1 GLN A 192 167.014 177.756 186.056 1.00 0.00 -0.275 OA +ATOM 1540 NE2 GLN A 192 168.556 177.109 187.552 1.00 0.00 -0.368 N +ATOM 1541 HE22 GLN A 192 169.093 176.492 187.820 1.00 0.00 0.159 HD +ATOM 1542 HE21 GLN A 192 168.519 177.859 187.971 1.00 0.00 0.159 HD +ATOM 1543 H GLN A 192 166.380 173.000 185.302 1.00 0.00 0.164 HD +ATOM 1544 C GLY A 193 167.181 170.078 189.565 1.00 0.00 0.239 C +ATOM 1545 O GLY A 193 167.572 169.364 190.487 1.00 0.00 -0.273 OA +ATOM 1546 CA GLY A 193 167.711 169.849 188.160 1.00 0.00 0.216 C +ATOM 1547 N GLY A 193 167.536 170.967 187.251 1.00 0.00 -0.346 N +ATOM 1548 H GLY A 193 166.856 170.891 186.729 1.00 0.00 0.164 HD +ATOM 1549 C SER A 194 165.037 170.125 191.623 1.00 0.00 0.244 C +ATOM 1550 O SER A 194 164.348 169.408 190.900 1.00 0.00 -0.272 OA +ATOM 1551 CA SER A 194 165.733 171.354 191.052 1.00 0.00 0.197 C +ATOM 1552 N SER A 194 166.295 171.057 189.735 1.00 0.00 -0.342 N +ATOM 1553 CB SER A 194 164.746 172.522 190.978 1.00 0.00 0.191 C +ATOM 1554 OG SER A 194 165.350 173.680 190.430 1.00 0.00 -0.392 OA +ATOM 1555 HG SER A 194 165.624 173.520 189.652 1.00 0.00 0.210 HD +ATOM 1556 H SER A 194 166.002 171.564 189.104 1.00 0.00 0.164 HD +ATOM 1557 C ASN A 195 163.585 169.108 194.598 1.00 0.00 0.242 C +ATOM 1558 O ASN A 195 163.161 170.260 194.651 1.00 0.00 -0.273 OA +ATOM 1559 CA ASN A 195 164.655 168.720 193.576 1.00 0.00 0.180 C +ATOM 1560 N ASN A 195 165.226 169.887 192.917 1.00 0.00 -0.342 N +ATOM 1561 CB ASN A 195 165.764 167.897 194.238 1.00 0.00 0.134 C +ATOM 1562 CG ASN A 195 166.606 168.708 195.198 1.00 0.00 0.220 C +ATOM 1563 OD1 ASN A 195 166.225 169.800 195.614 1.00 0.00 -0.275 OA +ATOM 1564 ND2 ASN A 195 167.764 168.172 195.557 1.00 0.00 -0.368 N +ATOM 1565 HD22 ASN A 195 168.282 168.591 196.100 1.00 0.00 0.159 HD +ATOM 1566 HD21 ASN A 195 167.997 167.404 195.246 1.00 0.00 0.159 HD +ATOM 1567 H ASN A 195 165.685 170.392 193.439 1.00 0.00 0.164 HD +ATOM 1568 C MET A 196 162.589 169.119 197.597 1.00 0.00 0.242 C +ATOM 1569 O MET A 196 161.819 169.777 198.292 1.00 0.00 -0.272 OA +ATOM 1570 CA MET A 196 162.073 168.397 196.359 1.00 0.00 0.172 C +ATOM 1571 N MET A 196 163.139 168.145 195.397 1.00 0.00 -0.344 N +ATOM 1572 CB MET A 196 161.391 167.089 196.760 1.00 0.00 0.046 C +ATOM 1573 CG MET A 196 160.647 166.410 195.623 1.00 0.00 0.072 C +ATOM 1574 SD MET A 196 159.482 167.497 194.775 1.00 0.00 -0.165 SA +ATOM 1575 CE MET A 196 158.315 167.845 196.081 1.00 0.00 0.085 C +ATOM 1576 H MET A 196 163.436 167.338 195.402 1.00 0.00 0.164 HD +ATOM 1577 C MET A 197 164.328 171.277 198.568 1.00 0.00 0.242 C +ATOM 1578 O MET A 197 164.040 172.108 199.426 1.00 0.00 -0.272 OA +ATOM 1579 CA MET A 197 164.492 169.806 198.925 1.00 0.00 0.172 C +ATOM 1580 N MET A 197 163.883 169.000 197.875 1.00 0.00 -0.344 N +ATOM 1581 CB MET A 197 165.973 169.464 199.108 1.00 0.00 0.046 C +ATOM 1582 CG MET A 197 166.237 168.105 199.740 1.00 0.00 0.072 C +ATOM 1583 SD MET A 197 165.642 167.952 201.437 1.00 0.00 -0.165 SA +ATOM 1584 CE MET A 197 166.714 169.106 202.298 1.00 0.00 0.085 C +ATOM 1585 H MET A 197 164.426 168.466 197.475 1.00 0.00 0.164 HD +ATOM 1586 C PHE A 198 162.851 173.369 196.856 1.00 0.00 0.243 C +ATOM 1587 O PHE A 198 162.529 174.472 197.291 1.00 0.00 -0.272 OA +ATOM 1588 CA PHE A 198 164.317 172.952 196.803 1.00 0.00 0.175 C +ATOM 1589 N PHE A 198 164.500 171.590 197.289 1.00 0.00 -0.343 N +ATOM 1590 CB PHE A 198 164.844 173.089 195.373 1.00 0.00 0.070 C +ATOM 1591 CG PHE A 198 164.555 174.425 194.748 1.00 0.00 -0.045 A +ATOM 1592 CD1 PHE A 198 165.366 175.514 195.011 1.00 0.00 0.004 A +ATOM 1593 CD2 PHE A 198 163.471 174.591 193.904 1.00 0.00 0.004 A +ATOM 1594 CE1 PHE A 198 165.103 176.744 194.441 1.00 0.00 0.000 A +ATOM 1595 CE2 PHE A 198 163.202 175.820 193.332 1.00 0.00 0.000 A +ATOM 1596 CZ PHE A 198 164.019 176.897 193.601 1.00 0.00 0.000 A +ATOM 1597 H PHE A 198 164.725 171.028 196.678 1.00 0.00 0.164 HD +ATOM 1598 C ALA A 199 159.949 173.063 197.703 1.00 0.00 0.243 C +ATOM 1599 O ALA A 199 159.225 174.041 197.883 1.00 0.00 -0.272 OA +ATOM 1600 CA ALA A 199 160.545 172.781 196.327 1.00 0.00 0.168 C +ATOM 1601 N ALA A 199 161.970 172.480 196.409 1.00 0.00 -0.344 N +ATOM 1602 CB ALA A 199 159.799 171.633 195.655 1.00 0.00 0.041 C +ATOM 1603 H ALA A 199 162.174 171.687 196.145 1.00 0.00 0.164 HD +ATOM 1604 C PHE A 200 160.396 173.459 200.798 1.00 0.00 0.243 C +ATOM 1605 O PHE A 200 159.796 174.054 201.691 1.00 0.00 -0.272 OA +ATOM 1606 CA PHE A 200 159.697 172.360 200.009 1.00 0.00 0.175 C +ATOM 1607 N PHE A 200 160.257 172.210 198.672 1.00 0.00 -0.343 N +ATOM 1608 CB PHE A 200 159.762 171.036 200.772 1.00 0.00 0.070 C +ATOM 1609 CG PHE A 200 158.725 170.041 200.336 1.00 0.00 -0.045 A +ATOM 1610 CD1 PHE A 200 157.380 170.362 200.382 1.00 0.00 0.004 A +ATOM 1611 CD2 PHE A 200 159.093 168.786 199.886 1.00 0.00 0.004 A +ATOM 1612 CE1 PHE A 200 156.420 169.454 199.981 1.00 0.00 0.000 A +ATOM 1613 CE2 PHE A 200 158.135 167.870 199.486 1.00 0.00 0.000 A +ATOM 1614 CZ PHE A 200 156.798 168.207 199.533 1.00 0.00 0.000 A +ATOM 1615 H PHE A 200 160.786 171.538 198.582 1.00 0.00 0.164 HD +ATOM 1616 C PHE A 201 161.658 176.161 200.631 1.00 0.00 0.243 C +ATOM 1617 O PHE A 201 161.405 177.059 201.431 1.00 0.00 -0.272 OA +ATOM 1618 CA PHE A 201 162.331 174.875 201.088 1.00 0.00 0.175 C +ATOM 1619 N PHE A 201 161.656 173.738 200.476 1.00 0.00 -0.343 N +ATOM 1620 CB PHE A 201 163.819 174.915 200.737 1.00 0.00 0.070 C +ATOM 1621 CG PHE A 201 164.571 176.000 201.454 1.00 0.00 -0.045 A +ATOM 1622 CD1 PHE A 201 164.621 177.284 200.938 1.00 0.00 0.004 A +ATOM 1623 CD2 PHE A 201 165.211 175.741 202.653 1.00 0.00 0.004 A +ATOM 1624 CE1 PHE A 201 165.303 178.282 201.600 1.00 0.00 0.000 A +ATOM 1625 CE2 PHE A 201 165.895 176.737 203.318 1.00 0.00 0.000 A +ATOM 1626 CZ PHE A 201 165.940 178.008 202.790 1.00 0.00 0.000 A +ATOM 1627 H PHE A 201 162.134 173.293 199.917 1.00 0.00 0.164 HD +ATOM 1628 C ALA A 202 159.378 177.645 199.470 1.00 0.00 0.243 C +ATOM 1629 O ALA A 202 159.091 178.756 199.907 1.00 0.00 -0.272 OA +ATOM 1630 CA ALA A 202 160.708 177.404 198.770 1.00 0.00 0.168 C +ATOM 1631 N ALA A 202 161.374 176.241 199.335 1.00 0.00 -0.344 N +ATOM 1632 CB ALA A 202 160.497 177.223 197.278 1.00 0.00 0.041 C +ATOM 1633 H ALA A 202 161.560 175.630 198.760 1.00 0.00 0.164 HD +ATOM 1634 C GLN A 203 157.383 177.055 201.682 1.00 0.00 0.242 C +ATOM 1635 O GLN A 203 156.700 177.954 202.164 1.00 0.00 -0.273 OA +ATOM 1636 CA GLN A 203 157.265 176.695 200.206 1.00 0.00 0.171 C +ATOM 1637 N GLN A 203 158.576 176.593 199.583 1.00 0.00 -0.343 N +ATOM 1638 CB GLN A 203 156.493 175.384 200.055 1.00 0.00 0.045 C +ATOM 1639 CG GLN A 203 155.062 175.463 200.560 1.00 0.00 0.102 C +ATOM 1640 CD GLN A 203 154.359 174.122 200.555 1.00 0.00 0.217 C +ATOM 1641 OE1 GLN A 203 154.986 173.076 200.398 1.00 0.00 -0.275 OA +ATOM 1642 NE2 GLN A 203 153.045 174.147 200.730 1.00 0.00 -0.368 N +ATOM 1643 HE22 GLN A 203 152.641 174.898 200.839 1.00 0.00 0.159 HD +ATOM 1644 HE21 GLN A 203 152.598 173.413 200.736 1.00 0.00 0.159 HD +ATOM 1645 H GLN A 203 158.770 175.803 199.303 1.00 0.00 0.164 HD +ATOM 1646 C HIS A 204 158.907 177.995 204.092 1.00 0.00 0.242 C +ATOM 1647 O HIS A 204 158.335 178.701 204.924 1.00 0.00 -0.272 OA +ATOM 1648 CA HIS A 204 158.439 176.570 203.820 1.00 0.00 0.177 C +ATOM 1649 N HIS A 204 158.248 176.342 202.395 1.00 0.00 -0.343 N +ATOM 1650 CB HIS A 204 159.450 175.575 204.389 1.00 0.00 0.090 C +ATOM 1651 CG HIS A 204 159.660 175.700 205.865 1.00 0.00 0.037 A +ATOM 1652 ND1 HIS A 204 160.742 176.355 206.412 1.00 0.00 -0.347 N +ATOM 1653 CD2 HIS A 204 158.924 175.252 206.909 1.00 0.00 0.134 A +ATOM 1654 HD1 HIS A 204 161.370 176.736 205.966 1.00 0.00 0.167 HD +ATOM 1655 CE1 HIS A 204 160.663 176.306 207.730 1.00 0.00 0.196 A +ATOM 1656 NE2 HIS A 204 159.568 175.644 208.057 1.00 0.00 -0.245 NA +ATOM 1657 H HIS A 204 158.740 175.714 202.072 1.00 0.00 0.164 HD +ATOM 1658 C PHE A 205 159.642 180.881 203.283 1.00 0.00 0.243 C +ATOM 1659 O PHE A 205 159.528 181.817 204.071 1.00 0.00 -0.272 OA +ATOM 1660 CA PHE A 205 160.566 179.709 203.608 1.00 0.00 0.175 C +ATOM 1661 N PHE A 205 159.945 178.412 203.378 1.00 0.00 -0.343 N +ATOM 1662 CB PHE A 205 161.849 179.825 202.786 1.00 0.00 0.070 C +ATOM 1663 CG PHE A 205 162.340 181.229 202.630 1.00 0.00 -0.045 A +ATOM 1664 CD1 PHE A 205 162.878 181.912 203.703 1.00 0.00 0.004 A +ATOM 1665 CD2 PHE A 205 162.265 181.864 201.405 1.00 0.00 0.004 A +ATOM 1666 CE1 PHE A 205 163.329 183.207 203.554 1.00 0.00 0.000 A +ATOM 1667 CE2 PHE A 205 162.716 183.154 201.253 1.00 0.00 0.000 A +ATOM 1668 CZ PHE A 205 163.248 183.826 202.327 1.00 0.00 0.000 A +ATOM 1669 H PHE A 205 160.313 177.956 202.748 1.00 0.00 0.164 HD +ATOM 1670 C THR A 206 156.852 182.062 202.484 1.00 0.00 0.245 C +ATOM 1671 O THR A 206 156.242 183.127 202.546 1.00 0.00 -0.273 OA +ATOM 1672 CA THR A 206 158.159 181.963 201.703 1.00 0.00 0.199 C +ATOM 1673 N THR A 206 158.985 180.838 202.129 1.00 0.00 -0.341 N +ATOM 1674 CB THR A 206 157.820 181.885 200.201 1.00 0.00 0.143 C +ATOM 1675 CG2 THR A 206 159.084 181.944 199.358 1.00 0.00 0.041 C +ATOM 1676 OG1 THR A 206 157.108 180.672 199.922 1.00 0.00 -0.389 OA +ATOM 1677 HG1 THR A 206 157.579 180.008 200.131 1.00 0.00 0.211 HD +ATOM 1678 H THR A 206 159.001 180.177 201.579 1.00 0.00 0.164 HD +ATOM 1679 C HIS A 207 155.220 181.647 205.158 1.00 0.00 0.242 C +ATOM 1680 O HIS A 207 154.238 181.671 205.900 1.00 0.00 -0.272 OA +ATOM 1681 CA HIS A 207 155.146 180.956 203.798 1.00 0.00 0.177 C +ATOM 1682 N HIS A 207 156.422 180.963 203.095 1.00 0.00 -0.343 N +ATOM 1683 CB HIS A 207 154.635 179.526 203.960 1.00 0.00 0.093 C +ATOM 1684 CG HIS A 207 153.758 179.079 202.834 1.00 0.00 0.061 A +ATOM 1685 ND1 HIS A 207 154.158 179.121 201.517 1.00 0.00 -0.242 NA +ATOM 1686 CD2 HIS A 207 152.491 178.602 202.827 1.00 0.00 0.107 A +ATOM 1687 CE1 HIS A 207 153.179 178.679 200.748 1.00 0.00 0.196 A +ATOM 1688 NE2 HIS A 207 152.156 178.358 201.518 1.00 0.00 -0.350 N +ATOM 1689 HE2 HIS A 207 151.403 178.045 201.245 1.00 0.00 0.167 HD +ATOM 1690 H HIS A 207 156.846 180.215 203.116 1.00 0.00 0.164 HD +ATOM 1691 C GLN A 208 156.004 184.503 206.335 1.00 0.00 0.242 C +ATOM 1692 O GLN A 208 155.509 185.204 207.215 1.00 0.00 -0.273 OA +ATOM 1693 CA GLN A 208 156.453 183.077 206.660 1.00 0.00 0.171 C +ATOM 1694 N GLN A 208 156.369 182.231 205.481 1.00 0.00 -0.343 N +ATOM 1695 CB GLN A 208 157.868 183.074 207.241 1.00 0.00 0.045 C +ATOM 1696 CG GLN A 208 158.878 183.918 206.499 1.00 0.00 0.102 C +ATOM 1697 CD GLN A 208 160.285 183.678 207.001 1.00 0.00 0.217 C +ATOM 1698 OE1 GLN A 208 160.692 184.223 208.023 1.00 0.00 -0.275 OA +ATOM 1699 NE2 GLN A 208 161.033 182.846 206.290 1.00 0.00 -0.368 N +ATOM 1700 HE22 GLN A 208 160.710 182.474 205.585 1.00 0.00 0.159 HD +ATOM 1701 HE21 GLN A 208 161.840 182.677 206.535 1.00 0.00 0.159 HD +ATOM 1702 H GLN A 208 157.103 182.154 205.039 1.00 0.00 0.164 HD +ATOM 1703 C PHE A 209 154.544 186.215 203.652 1.00 0.00 0.243 C +ATOM 1704 O PHE A 209 153.943 187.246 203.361 1.00 0.00 -0.272 OA +ATOM 1705 CA PHE A 209 155.686 186.256 204.672 1.00 0.00 0.175 C +ATOM 1706 N PHE A 209 156.161 184.929 205.080 1.00 0.00 -0.343 N +ATOM 1707 CB PHE A 209 156.837 187.118 204.130 1.00 0.00 0.070 C +ATOM 1708 CG PHE A 209 157.749 186.423 203.158 1.00 0.00 -0.045 A +ATOM 1709 CD1 PHE A 209 157.374 186.233 201.840 1.00 0.00 0.004 A +ATOM 1710 CD2 PHE A 209 159.011 186.015 203.553 1.00 0.00 0.004 A +ATOM 1711 CE1 PHE A 209 158.229 185.617 200.946 1.00 0.00 0.000 A +ATOM 1712 CE2 PHE A 209 159.866 185.401 202.663 1.00 0.00 0.000 A +ATOM 1713 CZ PHE A 209 159.477 185.207 201.357 1.00 0.00 0.000 A +ATOM 1714 H PHE A 209 156.534 184.476 204.452 1.00 0.00 0.164 HD +ATOM 1715 C PHE A 210 151.978 184.146 203.243 1.00 0.00 0.243 C +ATOM 1716 O PHE A 210 151.907 182.917 203.273 1.00 0.00 -0.272 OA +ATOM 1717 CA PHE A 210 153.004 184.851 202.359 1.00 0.00 0.175 C +ATOM 1718 N PHE A 210 154.235 185.038 203.123 1.00 0.00 -0.343 N +ATOM 1719 CB PHE A 210 153.249 184.047 201.084 1.00 0.00 0.070 C +ATOM 1720 CG PHE A 210 154.162 184.720 200.097 1.00 0.00 -0.045 A +ATOM 1721 CD1 PHE A 210 154.181 186.100 199.964 1.00 0.00 0.004 A +ATOM 1722 CD2 PHE A 210 154.995 183.966 199.291 1.00 0.00 0.004 A +ATOM 1723 CE1 PHE A 210 155.021 186.710 199.050 1.00 0.00 0.000 A +ATOM 1724 CE2 PHE A 210 155.838 184.574 198.375 1.00 0.00 0.000 A +ATOM 1725 CZ PHE A 210 155.850 185.946 198.257 1.00 0.00 0.000 A +ATOM 1726 H PHE A 210 154.720 184.331 203.190 1.00 0.00 0.164 HD +ATOM 1727 C LYS A 211 148.868 185.093 204.655 1.00 0.00 0.242 C +ATOM 1728 O LYS A 211 148.358 185.832 205.498 1.00 0.00 -0.273 OA +ATOM 1729 CA LYS A 211 150.207 184.424 204.905 1.00 0.00 0.171 C +ATOM 1730 N LYS A 211 151.200 184.941 203.969 1.00 0.00 -0.344 N +ATOM 1731 CB LYS A 211 150.659 184.654 206.347 1.00 0.00 0.035 C +ATOM 1732 CG LYS A 211 151.934 183.913 206.711 1.00 0.00 0.008 C +ATOM 1733 CD LYS A 211 152.568 184.477 207.966 1.00 0.00 0.061 C +ATOM 1734 CE LYS A 211 151.687 184.272 209.178 1.00 0.00 0.258 C +ATOM 1735 NZ LYS A 211 152.269 184.906 210.382 1.00 0.00 -0.357 N +ATOM 1736 HZ1 LYS A 211 151.736 184.774 211.082 1.00 0.00 0.345 HD +ATOM 1737 HZ2 LYS A 211 153.068 184.553 210.555 1.00 0.00 0.345 HD +ATOM 1738 HZ3 LYS A 211 152.363 185.781 210.250 1.00 0.00 0.345 HD +ATOM 1739 H LYS A 211 151.227 185.800 203.936 1.00 0.00 0.164 HD +ATOM 1740 C THR A 212 145.959 185.246 204.075 1.00 0.00 0.245 C +ATOM 1741 O THR A 212 145.721 184.132 204.538 1.00 0.00 -0.273 OA +ATOM 1742 CA THR A 212 147.073 185.448 203.044 1.00 0.00 0.199 C +ATOM 1743 N THR A 212 148.314 184.828 203.479 1.00 0.00 -0.341 N +ATOM 1744 CB THR A 212 146.628 184.877 201.687 1.00 0.00 0.143 C +ATOM 1745 CG2 THR A 212 145.584 185.786 201.041 1.00 0.00 0.041 C +ATOM 1746 OG1 THR A 212 147.771 184.732 200.825 1.00 0.00 -0.389 OA +ATOM 1747 HG1 THR A 212 148.588 184.628 201.375 1.00 0.00 0.211 HD +ATOM 1748 H THR A 212 148.647 184.282 202.904 1.00 0.00 0.164 HD +ATOM 1749 C ASP A 213 142.871 186.132 204.637 1.00 0.00 0.242 C +ATOM 1750 O ASP A 213 142.250 187.119 204.249 1.00 0.00 -0.273 OA +ATOM 1751 CA ASP A 213 144.189 186.276 205.392 1.00 0.00 0.176 C +ATOM 1752 N ASP A 213 145.295 186.337 204.443 1.00 0.00 -0.343 N +ATOM 1753 CB ASP A 213 144.176 187.519 206.281 1.00 0.00 0.087 C +ATOM 1754 CG ASP A 213 143.153 187.426 207.395 1.00 0.00 0.044 C +ATOM 1755 OD1 ASP A 213 142.534 186.354 207.548 1.00 0.00 -0.548 OA +ATOM 1756 OD2 ASP A 213 142.978 188.419 208.128 1.00 0.00 -0.549 OA +ATOM 1757 H ASP A 213 145.466 187.129 204.156 1.00 0.00 0.164 HD +ATOM 1758 C HIS A 214 139.961 184.925 204.123 1.00 0.00 0.242 C +ATOM 1759 O HIS A 214 138.989 185.029 203.378 1.00 0.00 -0.272 OA +ATOM 1760 CA HIS A 214 141.336 184.604 203.538 1.00 0.00 0.177 C +ATOM 1761 N HIS A 214 142.445 184.892 204.438 1.00 0.00 -0.343 N +ATOM 1762 CB HIS A 214 141.391 183.137 203.113 1.00 0.00 0.093 C +ATOM 1763 CG HIS A 214 142.488 182.839 202.140 1.00 0.00 0.061 A +ATOM 1764 ND1 HIS A 214 142.431 183.219 200.816 1.00 0.00 -0.242 NA +ATOM 1765 CD2 HIS A 214 143.673 182.204 202.297 1.00 0.00 0.107 A +ATOM 1766 CE1 HIS A 214 143.532 182.828 200.200 1.00 0.00 0.196 A +ATOM 1767 NE2 HIS A 214 144.302 182.209 201.076 1.00 0.00 -0.350 N +ATOM 1768 HE2 HIS A 214 145.073 181.866 200.909 1.00 0.00 0.167 HD +ATOM 1769 H HIS A 214 142.782 184.196 204.814 1.00 0.00 0.164 HD +ATOM 1770 C LYS A 215 138.382 186.990 205.816 1.00 0.00 0.242 C +ATOM 1771 O LYS A 215 137.270 187.494 205.974 1.00 0.00 -0.273 OA +ATOM 1772 CA LYS A 215 138.601 185.494 206.039 1.00 0.00 0.171 C +ATOM 1773 N LYS A 215 139.869 185.092 205.439 1.00 0.00 -0.344 N +ATOM 1774 CB LYS A 215 138.552 185.149 207.535 1.00 0.00 0.035 C +ATOM 1775 CG LYS A 215 139.273 186.116 208.467 1.00 0.00 0.008 C +ATOM 1776 CD LYS A 215 139.074 185.708 209.923 1.00 0.00 0.061 C +ATOM 1777 CE LYS A 215 139.826 186.626 210.878 1.00 0.00 0.258 C +ATOM 1778 NZ LYS A 215 139.473 186.359 212.302 1.00 0.00 -0.357 N +ATOM 1779 HZ1 LYS A 215 139.926 186.909 212.835 1.00 0.00 0.345 HD +ATOM 1780 HZ2 LYS A 215 138.601 186.487 212.428 1.00 0.00 0.345 HD +ATOM 1781 HZ3 LYS A 215 139.675 185.519 212.513 1.00 0.00 0.345 HD +ATOM 1782 H LYS A 215 140.513 184.980 205.998 1.00 0.00 0.164 HD +ATOM 1783 C ARG A 216 139.346 189.330 203.597 1.00 0.00 0.242 C +ATOM 1784 O ARG A 216 138.537 190.109 203.092 1.00 0.00 -0.273 OA +ATOM 1785 CA ARG A 216 139.381 189.110 205.107 1.00 0.00 0.171 C +ATOM 1786 N ARG A 216 139.450 187.689 205.436 1.00 0.00 -0.344 N +ATOM 1787 CB ARG A 216 140.574 189.851 205.705 1.00 0.00 0.038 C +ATOM 1788 CG ARG A 216 140.267 190.605 206.985 1.00 0.00 0.040 C +ATOM 1789 CD ARG A 216 141.506 191.307 207.507 1.00 0.00 0.197 C +ATOM 1790 NE ARG A 216 141.194 192.324 208.504 1.00 0.00 -0.278 N +ATOM 1791 HE ARG A 216 140.380 192.596 208.559 1.00 0.00 0.260 HD +ATOM 1792 CZ ARG A 216 142.096 192.896 209.293 1.00 0.00 0.339 C +ATOM 1793 NH1 ARG A 216 141.720 193.815 210.170 1.00 0.00 -0.290 N +ATOM 1794 NH2 ARG A 216 143.374 192.548 209.213 1.00 0.00 -0.290 N +ATOM 1795 HH12 ARG A 216 140.893 194.042 210.226 1.00 0.00 0.256 HD +ATOM 1796 HH11 ARG A 216 142.303 194.184 210.683 1.00 0.00 0.256 HD +ATOM 1797 HH22 ARG A 216 143.622 191.952 208.645 1.00 0.00 0.256 HD +ATOM 1798 HH21 ARG A 216 143.954 192.920 209.727 1.00 0.00 0.256 HD +ATOM 1799 H ARG A 216 140.239 187.355 205.360 1.00 0.00 0.164 HD +ATOM 1800 C GLY A 217 141.744 188.551 200.950 1.00 0.00 0.239 C +ATOM 1801 O GLY A 217 142.689 188.664 201.728 1.00 0.00 -0.273 OA +ATOM 1802 CA GLY A 217 140.323 188.755 201.440 1.00 0.00 0.216 C +ATOM 1803 N GLY A 217 140.232 188.639 202.885 1.00 0.00 -0.346 N +ATOM 1804 H GLY A 217 140.799 188.089 203.225 1.00 0.00 0.164 HD +ATOM 1805 C PRO A 218 144.212 189.153 199.226 1.00 0.00 0.243 C +ATOM 1806 O PRO A 218 145.420 188.943 199.125 1.00 0.00 -0.271 OA +ATOM 1807 CA PRO A 218 143.227 187.996 199.061 1.00 0.00 0.175 C +ATOM 1808 N PRO A 218 141.906 188.255 199.650 1.00 0.00 -0.329 N +ATOM 1809 CB PRO A 218 142.912 187.766 197.577 1.00 0.00 0.037 C +ATOM 1810 CG PRO A 218 141.562 188.358 197.361 1.00 0.00 0.024 C +ATOM 1811 CD PRO A 218 140.833 188.169 198.645 1.00 0.00 0.121 C +ATOM 1812 C ALA A 219 145.184 191.742 200.927 1.00 0.00 0.243 C +ATOM 1813 O ALA A 219 145.966 192.675 201.108 1.00 0.00 -0.272 OA +ATOM 1814 CA ALA A 219 144.534 191.544 199.558 1.00 0.00 0.168 C +ATOM 1815 N ALA A 219 143.700 190.349 199.490 1.00 0.00 -0.344 N +ATOM 1816 CB ALA A 219 143.711 192.766 199.198 1.00 0.00 0.041 C +ATOM 1817 H ALA A 219 142.865 190.497 199.636 1.00 0.00 0.164 HD +ATOM 1818 C PHE A 220 146.285 189.895 203.684 1.00 0.00 0.243 C +ATOM 1819 O PHE A 220 146.217 188.782 203.166 1.00 0.00 -0.272 OA +ATOM 1820 CA PHE A 220 145.349 191.019 203.251 1.00 0.00 0.175 C +ATOM 1821 N PHE A 220 144.872 190.866 201.878 1.00 0.00 -0.343 N +ATOM 1822 CB PHE A 220 144.161 191.095 204.208 1.00 0.00 0.070 C +ATOM 1823 CG PHE A 220 143.245 192.247 203.935 1.00 0.00 -0.045 A +ATOM 1824 CD1 PHE A 220 143.503 193.495 204.476 1.00 0.00 0.004 A +ATOM 1825 CD2 PHE A 220 142.132 192.087 203.129 1.00 0.00 0.004 A +ATOM 1826 CE1 PHE A 220 142.664 194.558 204.222 1.00 0.00 0.000 A +ATOM 1827 CE2 PHE A 220 141.290 193.149 202.874 1.00 0.00 0.000 A +ATOM 1828 CZ PHE A 220 141.556 194.385 203.419 1.00 0.00 0.000 A +ATOM 1829 H PHE A 220 144.383 190.170 201.754 1.00 0.00 0.164 HD +ATOM 1830 C THR A 221 148.082 189.220 206.708 1.00 0.00 0.245 C +ATOM 1831 O THR A 221 147.754 190.218 207.345 1.00 0.00 -0.273 OA +ATOM 1832 CA THR A 221 148.104 189.239 205.186 1.00 0.00 0.199 C +ATOM 1833 N THR A 221 147.155 190.205 204.642 1.00 0.00 -0.341 N +ATOM 1834 CB THR A 221 149.551 189.534 204.722 1.00 0.00 0.143 C +ATOM 1835 CG2 THR A 221 149.966 190.948 205.094 1.00 0.00 0.041 C +ATOM 1836 OG1 THR A 221 150.452 188.607 205.339 1.00 0.00 -0.389 OA +ATOM 1837 HG1 THR A 221 151.239 188.762 205.091 1.00 0.00 0.211 HD +ATOM 1838 H THR A 221 147.216 190.985 204.999 1.00 0.00 0.164 HD +ATOM 1839 C ASN A 222 150.068 188.113 209.144 1.00 0.00 0.242 C +ATOM 1840 O ASN A 222 150.369 188.181 210.333 1.00 0.00 -0.273 OA +ATOM 1841 CA ASN A 222 148.610 187.943 208.724 1.00 0.00 0.180 C +ATOM 1842 N ASN A 222 148.436 188.074 207.282 1.00 0.00 -0.342 N +ATOM 1843 CB ASN A 222 148.101 186.585 209.202 1.00 0.00 0.134 C +ATOM 1844 CG ASN A 222 146.607 186.430 209.032 1.00 0.00 0.220 C +ATOM 1845 OD1 ASN A 222 145.839 187.338 209.345 1.00 0.00 -0.275 OA +ATOM 1846 ND2 ASN A 222 146.187 185.279 208.527 1.00 0.00 -0.368 N +ATOM 1847 HD22 ASN A 222 145.346 185.142 208.410 1.00 0.00 0.159 HD +ATOM 1848 HD21 ASN A 222 146.755 184.669 208.316 1.00 0.00 0.159 HD +ATOM 1849 H ASN A 222 148.583 187.346 206.849 1.00 0.00 0.164 HD +ATOM 1850 C GLY A 223 152.755 189.809 208.550 1.00 0.00 0.239 C +ATOM 1851 O GLY A 223 153.246 190.404 207.594 1.00 0.00 -0.273 OA +ATOM 1852 CA GLY A 223 152.385 188.344 208.438 1.00 0.00 0.216 C +ATOM 1853 N GLY A 223 150.968 188.173 208.166 1.00 0.00 -0.346 N +ATOM 1854 H GLY A 223 150.777 188.116 207.329 1.00 0.00 0.164 HD +ATOM 1855 C LEU A 224 154.190 192.197 210.032 1.00 0.00 0.243 C +ATOM 1856 O LEU A 224 154.540 193.376 210.038 1.00 0.00 -0.272 OA +ATOM 1857 CA LEU A 224 152.713 191.826 209.913 1.00 0.00 0.172 C +ATOM 1858 N LEU A 224 152.524 190.391 209.722 1.00 0.00 -0.345 N +ATOM 1859 CB LEU A 224 151.951 192.300 211.150 1.00 0.00 0.038 C +ATOM 1860 CG LEU A 224 150.458 191.955 211.183 1.00 0.00 -0.015 C +ATOM 1861 CD1 LEU A 224 149.803 192.568 212.405 1.00 0.00 0.007 C +ATOM 1862 CD2 LEU A 224 149.749 192.408 209.916 1.00 0.00 0.007 C +ATOM 1863 H LEU A 224 152.255 189.976 210.426 1.00 0.00 0.165 HD +ATOM 1864 C GLY A 225 156.961 191.751 208.724 1.00 0.00 0.239 C +ATOM 1865 O GLY A 225 158.010 192.369 208.545 1.00 0.00 -0.273 OA +ATOM 1866 CA GLY A 225 156.485 191.419 210.125 1.00 0.00 0.216 C +ATOM 1867 N GLY A 225 155.053 191.191 210.128 1.00 0.00 -0.346 N +ATOM 1868 H GLY A 225 154.829 190.364 210.196 1.00 0.00 0.164 HD +ATOM 1869 C HIS A 226 157.858 191.295 205.884 1.00 0.00 0.242 C +ATOM 1870 O HIS A 226 158.514 192.082 205.201 1.00 0.00 -0.272 OA +ATOM 1871 CA HIS A 226 156.435 191.639 206.329 1.00 0.00 0.177 C +ATOM 1872 N HIS A 226 156.178 191.329 207.734 1.00 0.00 -0.343 N +ATOM 1873 CB HIS A 226 156.142 193.117 206.064 1.00 0.00 0.093 C +ATOM 1874 CG HIS A 226 154.686 193.418 205.919 1.00 0.00 0.061 A +ATOM 1875 ND1 HIS A 226 154.042 193.383 204.703 1.00 0.00 -0.242 NA +ATOM 1876 CD2 HIS A 226 153.745 193.743 206.835 1.00 0.00 0.107 A +ATOM 1877 CE1 HIS A 226 152.767 193.679 204.872 1.00 0.00 0.196 A +ATOM 1878 NE2 HIS A 226 152.561 193.902 206.157 1.00 0.00 -0.350 N +ATOM 1879 HE2 HIS A 226 151.807 194.114 206.512 1.00 0.00 0.167 HD +ATOM 1880 H HIS A 226 155.475 190.849 207.855 1.00 0.00 0.164 HD +ATOM 1881 C GLY A 227 160.131 188.434 206.557 1.00 0.00 0.239 C +ATOM 1882 O GLY A 227 159.346 187.562 206.929 1.00 0.00 -0.273 OA +ATOM 1883 CA GLY A 227 159.641 189.671 205.837 1.00 0.00 0.216 C +ATOM 1884 N GLY A 227 158.329 190.112 206.259 1.00 0.00 -0.346 N +ATOM 1885 H GLY A 227 157.907 189.551 206.756 1.00 0.00 0.164 HD +ATOM 1886 C VAL A 228 162.252 187.314 208.819 1.00 0.00 0.243 C +ATOM 1887 O VAL A 228 163.335 187.617 209.316 1.00 0.00 -0.272 OA +ATOM 1888 CA VAL A 228 162.093 187.191 207.305 1.00 0.00 0.173 C +ATOM 1889 N VAL A 228 161.442 188.371 206.755 1.00 0.00 -0.343 N +ATOM 1890 CB VAL A 228 163.471 186.968 206.649 1.00 0.00 0.015 C +ATOM 1891 CG1 VAL A 228 164.072 185.646 207.084 1.00 0.00 0.010 C +ATOM 1892 CG2 VAL A 228 163.344 187.005 205.132 1.00 0.00 0.010 C +ATOM 1893 H VAL A 228 161.986 189.013 206.575 1.00 0.00 0.164 HD +ATOM 1894 C ASP A 229 161.070 185.783 211.650 1.00 0.00 0.242 C +ATOM 1895 O ASP A 229 161.117 185.662 212.872 1.00 0.00 -0.273 OA +ATOM 1896 CA ASP A 229 161.164 187.162 211.002 1.00 0.00 0.176 C +ATOM 1897 N ASP A 229 161.161 187.076 209.544 1.00 0.00 -0.343 N +ATOM 1898 CB ASP A 229 160.017 188.058 211.483 1.00 0.00 0.087 C +ATOM 1899 CG ASP A 229 158.640 187.529 211.099 1.00 0.00 0.044 C +ATOM 1900 OD1 ASP A 229 158.550 186.507 210.388 1.00 0.00 -0.548 OA +ATOM 1901 OD2 ASP A 229 157.637 188.154 211.503 1.00 0.00 -0.549 OA +ATOM 1902 H ASP A 229 160.399 186.861 209.210 1.00 0.00 0.164 HD +ATOM 1903 C LEU A 230 159.630 183.137 212.167 1.00 0.00 0.243 C +ATOM 1904 O LEU A 230 159.648 182.302 213.071 1.00 0.00 -0.272 OA +ATOM 1905 CA LEU A 230 160.857 183.367 211.278 1.00 0.00 0.172 C +ATOM 1906 N LEU A 230 160.951 184.752 210.819 1.00 0.00 -0.345 N +ATOM 1907 CB LEU A 230 162.145 182.959 212.009 1.00 0.00 0.038 C +ATOM 1908 CG LEU A 230 163.214 182.311 211.118 1.00 0.00 -0.015 C +ATOM 1909 CD1 LEU A 230 163.588 183.206 209.947 1.00 0.00 0.007 C +ATOM 1910 CD2 LEU A 230 164.443 181.963 211.942 1.00 0.00 0.007 C +ATOM 1911 H LEU A 230 160.922 184.831 209.963 1.00 0.00 0.165 HD +ATOM 1912 C ASN A 231 156.740 182.262 212.359 1.00 0.00 0.242 C +ATOM 1913 O ASN A 231 155.944 181.750 213.141 1.00 0.00 -0.273 OA +ATOM 1914 CA ASN A 231 157.306 183.653 212.621 1.00 0.00 0.180 C +ATOM 1915 N ASN A 231 158.550 183.861 211.892 1.00 0.00 -0.342 N +ATOM 1916 CB ASN A 231 156.272 184.717 212.246 1.00 0.00 0.134 C +ATOM 1917 CG ASN A 231 155.619 184.454 210.907 1.00 0.00 0.220 C +ATOM 1918 OD1 ASN A 231 154.640 183.716 210.816 1.00 0.00 -0.275 OA +ATOM 1919 ND2 ASN A 231 156.152 185.064 209.857 1.00 0.00 -0.368 N +ATOM 1920 HD22 ASN A 231 155.816 184.946 209.075 1.00 0.00 0.159 HD +ATOM 1921 HD21 ASN A 231 156.834 185.578 209.960 1.00 0.00 0.159 HD +ATOM 1922 H ASN A 231 158.511 184.475 211.291 1.00 0.00 0.164 HD +ATOM 1923 C HIS A 232 157.426 179.253 211.789 1.00 0.00 0.242 C +ATOM 1924 O HIS A 232 157.092 178.072 211.744 1.00 0.00 -0.272 OA +ATOM 1925 CA HIS A 232 156.706 180.298 210.934 1.00 0.00 0.177 C +ATOM 1926 N HIS A 232 157.157 181.646 211.258 1.00 0.00 -0.343 N +ATOM 1927 CB HIS A 232 156.899 180.000 209.441 1.00 0.00 0.093 C +ATOM 1928 CG HIS A 232 158.325 180.012 208.988 1.00 0.00 0.061 A +ATOM 1929 ND1 HIS A 232 159.309 180.742 209.620 1.00 0.00 -0.242 NA +ATOM 1930 CD2 HIS A 232 158.930 179.386 207.952 1.00 0.00 0.107 A +ATOM 1931 CE1 HIS A 232 160.458 180.562 208.996 1.00 0.00 0.196 A +ATOM 1932 NE2 HIS A 232 160.255 179.742 207.982 1.00 0.00 -0.350 N +ATOM 1933 HE2 HIS A 232 160.856 179.476 207.427 1.00 0.00 0.167 HD +ATOM 1934 H HIS A 232 157.699 181.987 210.684 1.00 0.00 0.164 HD +ATOM 1935 C ILE A 233 158.561 179.256 214.973 1.00 0.00 0.243 C +ATOM 1936 O ILE A 233 158.209 178.400 215.784 1.00 0.00 -0.272 OA +ATOM 1937 CA ILE A 233 159.042 178.862 213.578 1.00 0.00 0.174 C +ATOM 1938 N ILE A 233 158.407 179.700 212.567 1.00 0.00 -0.343 N +ATOM 1939 CB ILE A 233 160.581 178.970 213.520 1.00 0.00 0.018 C +ATOM 1940 CG2 ILE A 233 161.223 178.256 214.712 1.00 0.00 0.010 C +ATOM 1941 CG1 ILE A 233 161.101 178.371 212.213 1.00 0.00 0.002 C +ATOM 1942 CD1 ILE A 233 162.549 178.676 211.930 1.00 0.00 0.004 C +ATOM 1943 H ILE A 233 158.727 180.497 212.528 1.00 0.00 0.164 HD +ATOM 1944 C TYR A 234 156.909 181.573 216.853 1.00 0.00 0.243 C +ATOM 1945 O TYR A 234 156.559 181.855 217.997 1.00 0.00 -0.272 OA +ATOM 1946 CA TYR A 234 158.324 181.075 216.584 1.00 0.00 0.175 C +ATOM 1947 N TYR A 234 158.533 180.559 215.234 1.00 0.00 -0.343 N +ATOM 1948 CB TYR A 234 159.314 182.207 216.856 1.00 0.00 0.070 C +ATOM 1949 CG TYR A 234 160.751 181.765 216.757 1.00 0.00 -0.045 A +ATOM 1950 CD1 TYR A 234 161.298 180.915 217.708 1.00 0.00 0.007 A +ATOM 1951 CD2 TYR A 234 161.560 182.188 215.712 1.00 0.00 0.007 A +ATOM 1952 CE1 TYR A 234 162.610 180.500 217.623 1.00 0.00 0.046 A +ATOM 1953 CE2 TYR A 234 162.876 181.777 215.620 1.00 0.00 0.046 A +ATOM 1954 CZ TYR A 234 163.394 180.936 216.577 1.00 0.00 0.115 A +ATOM 1955 OH TYR A 234 164.701 180.526 216.492 1.00 0.00 -0.507 OA +ATOM 1956 HH TYR A 234 165.063 180.861 215.813 1.00 0.00 0.294 HD +ATOM 1957 H TYR A 234 158.634 181.172 214.640 1.00 0.00 0.164 HD +ATOM 1958 C GLY A 235 154.665 183.677 215.686 1.00 0.00 0.239 C +ATOM 1959 O GLY A 235 155.604 184.419 215.970 1.00 0.00 -0.273 OA +ATOM 1960 CA GLY A 235 154.744 182.184 215.944 1.00 0.00 0.216 C +ATOM 1961 N GLY A 235 156.100 181.683 215.805 1.00 0.00 -0.346 N +ATOM 1962 H GLY A 235 156.316 181.472 215.000 1.00 0.00 0.164 HD +ATOM 1963 C GLU A 236 153.204 186.393 216.043 1.00 0.00 0.242 C +ATOM 1964 O GLU A 236 153.739 187.500 216.084 1.00 0.00 -0.273 OA +ATOM 1965 CA GLU A 236 153.333 185.516 214.800 1.00 0.00 0.171 C +ATOM 1966 N GLU A 236 153.535 184.113 215.145 1.00 0.00 -0.344 N +ATOM 1967 CB GLU A 236 152.090 185.656 213.915 1.00 0.00 0.041 C +ATOM 1968 CG GLU A 236 151.715 187.087 213.538 1.00 0.00 0.055 C +ATOM 1969 CD GLU A 236 152.670 187.724 212.541 1.00 0.00 0.041 C +ATOM 1970 OE1 GLU A 236 153.338 186.991 211.781 1.00 0.00 -0.548 OA +ATOM 1971 OE2 GLU A 236 152.747 188.969 212.514 1.00 0.00 -0.549 OA +ATOM 1972 H GLU A 236 152.861 183.611 214.965 1.00 0.00 0.164 HD +ATOM 1973 C THR A 237 153.062 186.175 219.446 1.00 0.00 0.245 C +ATOM 1974 O THR A 237 153.543 185.043 219.447 1.00 0.00 -0.273 OA +ATOM 1975 CA THR A 237 152.239 186.674 218.267 1.00 0.00 0.199 C +ATOM 1976 N THR A 237 152.497 185.898 217.055 1.00 0.00 -0.341 N +ATOM 1977 CB THR A 237 150.753 186.628 218.663 1.00 0.00 0.143 C +ATOM 1978 CG2 THR A 237 149.873 187.092 217.510 1.00 0.00 0.041 C +ATOM 1979 OG1 THR A 237 150.396 185.291 219.037 1.00 0.00 -0.389 OA +ATOM 1980 HG1 THR A 237 149.585 185.261 219.254 1.00 0.00 0.211 HD +ATOM 1981 H THR A 237 152.154 185.110 217.065 1.00 0.00 0.164 HD +ATOM 1982 C LEU A 238 153.169 185.524 222.366 1.00 0.00 0.243 C +ATOM 1983 O LEU A 238 153.776 184.658 222.990 1.00 0.00 -0.272 OA +ATOM 1984 CA LEU A 238 153.918 186.651 221.666 1.00 0.00 0.172 C +ATOM 1985 N LEU A 238 153.221 187.032 220.448 1.00 0.00 -0.345 N +ATOM 1986 CB LEU A 238 154.064 187.851 222.603 1.00 0.00 0.038 C +ATOM 1987 CG LEU A 238 154.743 187.565 223.945 1.00 0.00 -0.015 C +ATOM 1988 CD1 LEU A 238 156.196 187.203 223.739 1.00 0.00 0.007 C +ATOM 1989 CD2 LEU A 238 154.612 188.751 224.882 1.00 0.00 0.007 C +ATOM 1990 H LEU A 238 152.932 187.842 220.446 1.00 0.00 0.165 HD +ATOM 1991 C ALA A 239 151.296 183.139 222.339 1.00 0.00 0.243 C +ATOM 1992 O ALA A 239 151.381 182.170 223.091 1.00 0.00 -0.272 OA +ATOM 1993 CA ALA A 239 151.013 184.531 222.894 1.00 0.00 0.168 C +ATOM 1994 N ALA A 239 151.847 185.536 222.246 1.00 0.00 -0.344 N +ATOM 1995 CB ALA A 239 149.547 184.878 222.725 1.00 0.00 0.041 C +ATOM 1996 H ALA A 239 151.405 186.118 221.793 1.00 0.00 0.164 HD +ATOM 1997 C ARG A 240 153.188 181.346 220.705 1.00 0.00 0.242 C +ATOM 1998 O ARG A 240 153.451 180.183 221.009 1.00 0.00 -0.273 OA +ATOM 1999 CA ARG A 240 151.753 181.763 220.392 1.00 0.00 0.171 C +ATOM 2000 N ARG A 240 151.442 183.040 221.022 1.00 0.00 -0.344 N +ATOM 2001 CB ARG A 240 151.542 181.839 218.882 1.00 0.00 0.038 C +ATOM 2002 CG ARG A 240 151.673 180.501 218.185 1.00 0.00 0.040 C +ATOM 2003 CD ARG A 240 151.230 180.581 216.737 1.00 0.00 0.197 C +ATOM 2004 NE ARG A 240 151.337 179.287 216.069 1.00 0.00 -0.278 N +ATOM 2005 HE ARG A 240 152.062 179.119 215.639 1.00 0.00 0.260 HD +ATOM 2006 CZ ARG A 240 150.393 178.351 216.078 1.00 0.00 0.339 C +ATOM 2007 NH1 ARG A 240 149.251 178.549 216.720 1.00 0.00 -0.290 N +ATOM 2008 NH2 ARG A 240 150.593 177.206 215.440 1.00 0.00 -0.290 N +ATOM 2009 HH12 ARG A 240 149.115 179.289 217.137 1.00 0.00 0.256 HD +ATOM 2010 HH11 ARG A 240 148.646 177.938 216.720 1.00 0.00 0.256 HD +ATOM 2011 HH22 ARG A 240 151.332 177.070 215.021 1.00 0.00 0.256 HD +ATOM 2012 HH21 ARG A 240 149.983 176.599 215.443 1.00 0.00 0.256 HD +ATOM 2013 H ARG A 240 151.367 183.697 220.472 1.00 0.00 0.164 HD +ATOM 2014 C GLN A 241 155.613 181.437 222.364 1.00 0.00 0.242 C +ATOM 2015 O GLN A 241 156.383 180.504 222.577 1.00 0.00 -0.273 OA +ATOM 2016 CA GLN A 241 155.502 182.062 220.977 1.00 0.00 0.171 C +ATOM 2017 N GLN A 241 154.107 182.303 220.630 1.00 0.00 -0.343 N +ATOM 2018 CB GLN A 241 156.302 183.366 220.927 1.00 0.00 0.045 C +ATOM 2019 CG GLN A 241 157.802 183.179 221.108 1.00 0.00 0.102 C +ATOM 2020 CD GLN A 241 158.514 184.456 221.501 1.00 0.00 0.217 C +ATOM 2021 OE1 GLN A 241 158.924 184.619 222.648 1.00 0.00 -0.275 OA +ATOM 2022 NE2 GLN A 241 158.677 185.363 220.547 1.00 0.00 -0.368 N +ATOM 2023 HE22 GLN A 241 158.384 185.211 219.754 1.00 0.00 0.159 HD +ATOM 2024 HE21 GLN A 241 159.076 186.105 220.723 1.00 0.00 0.159 HD +ATOM 2025 H GLN A 241 153.945 183.109 220.379 1.00 0.00 0.164 HD +ATOM 2026 C ARG A 242 154.391 180.062 224.836 1.00 0.00 0.242 C +ATOM 2027 O ARG A 242 154.840 179.340 225.721 1.00 0.00 -0.273 OA +ATOM 2028 CA ARG A 242 154.880 181.501 224.681 1.00 0.00 0.171 C +ATOM 2029 N ARG A 242 154.829 181.956 223.300 1.00 0.00 -0.344 N +ATOM 2030 CB ARG A 242 154.059 182.437 225.565 1.00 0.00 0.038 C +ATOM 2031 CG ARG A 242 154.776 183.737 225.882 1.00 0.00 0.040 C +ATOM 2032 CD ARG A 242 153.967 184.609 226.811 1.00 0.00 0.197 C +ATOM 2033 NE ARG A 242 154.716 185.788 227.232 1.00 0.00 -0.278 N +ATOM 2034 HE ARG A 242 155.484 185.926 226.872 1.00 0.00 0.260 HD +ATOM 2035 CZ ARG A 242 154.288 186.664 228.136 1.00 0.00 0.339 C +ATOM 2036 NH1 ARG A 242 153.109 186.497 228.722 1.00 0.00 -0.290 N +ATOM 2037 NH2 ARG A 242 155.041 187.706 228.457 1.00 0.00 -0.290 N +ATOM 2038 HH12 ARG A 242 152.618 185.821 228.517 1.00 0.00 0.256 HD +ATOM 2039 HH11 ARG A 242 152.835 187.066 229.306 1.00 0.00 0.256 HD +ATOM 2040 HH22 ARG A 242 155.806 187.817 228.079 1.00 0.00 0.256 HD +ATOM 2041 HH21 ARG A 242 154.765 188.273 229.041 1.00 0.00 0.256 HD +ATOM 2042 H ARG A 242 154.253 182.579 223.159 1.00 0.00 0.164 HD +ATOM 2043 C LYS A 243 154.039 177.303 223.438 1.00 0.00 0.242 C +ATOM 2044 O LYS A 243 154.095 176.150 223.859 1.00 0.00 -0.273 OA +ATOM 2045 CA LYS A 243 152.992 178.276 223.973 1.00 0.00 0.171 C +ATOM 2046 N LYS A 243 153.478 179.648 223.966 1.00 0.00 -0.344 N +ATOM 2047 CB LYS A 243 151.715 178.163 223.145 1.00 0.00 0.035 C +ATOM 2048 CG LYS A 243 150.504 178.809 223.791 1.00 0.00 0.008 C +ATOM 2049 CD LYS A 243 149.291 178.730 222.888 1.00 0.00 0.061 C +ATOM 2050 CE LYS A 243 148.039 179.204 223.604 1.00 0.00 0.258 C +ATOM 2051 NZ LYS A 243 146.847 179.175 222.716 1.00 0.00 -0.357 N +ATOM 2052 HZ1 LYS A 243 146.130 179.457 223.161 1.00 0.00 0.345 HD +ATOM 2053 HZ2 LYS A 243 146.979 179.705 222.014 1.00 0.00 0.345 HD +ATOM 2054 HZ3 LYS A 243 146.702 178.345 222.430 1.00 0.00 0.345 HD +ATOM 2055 H LYS A 243 153.123 180.143 223.360 1.00 0.00 0.164 HD +ATOM 2056 C LEU A 244 157.180 176.845 222.556 1.00 0.00 0.243 C +ATOM 2057 O LEU A 244 157.959 175.924 222.317 1.00 0.00 -0.272 OA +ATOM 2058 CA LEU A 244 155.839 176.927 221.830 1.00 0.00 0.172 C +ATOM 2059 N LEU A 244 154.870 177.777 222.515 1.00 0.00 -0.345 N +ATOM 2060 CB LEU A 244 156.066 177.436 220.403 1.00 0.00 0.038 C +ATOM 2061 CG LEU A 244 154.870 177.377 219.451 1.00 0.00 -0.015 C +ATOM 2062 CD1 LEU A 244 155.212 178.061 218.134 1.00 0.00 0.007 C +ATOM 2063 CD2 LEU A 244 154.434 175.943 219.207 1.00 0.00 0.007 C +ATOM 2064 H LEU A 244 154.893 178.599 222.264 1.00 0.00 0.165 HD +ATOM 2065 C ARG A 245 158.765 176.969 225.356 1.00 0.00 0.242 C +ATOM 2066 O ARG A 245 157.733 176.697 225.971 1.00 0.00 -0.273 OA +ATOM 2067 CA ARG A 245 158.740 177.862 224.119 1.00 0.00 0.171 C +ATOM 2068 N ARG A 245 157.455 177.809 223.427 1.00 0.00 -0.344 N +ATOM 2069 CB ARG A 245 159.077 179.304 224.513 1.00 0.00 0.038 C +ATOM 2070 CG ARG A 245 159.653 180.142 223.379 1.00 0.00 0.040 C +ATOM 2071 CD ARG A 245 159.910 181.583 223.804 1.00 0.00 0.197 C +ATOM 2072 NE ARG A 245 160.840 181.686 224.927 1.00 0.00 -0.278 N +ATOM 2073 HE ARG A 245 161.190 180.960 225.226 1.00 0.00 0.260 HD +ATOM 2074 CZ ARG A 245 161.180 182.828 225.518 1.00 0.00 0.339 C +ATOM 2075 NH1 ARG A 245 160.669 183.977 225.097 1.00 0.00 -0.290 N +ATOM 2076 NH2 ARG A 245 162.032 182.826 226.532 1.00 0.00 -0.290 N +ATOM 2077 HH12 ARG A 245 160.116 183.986 224.439 1.00 0.00 0.256 HD +ATOM 2078 HH11 ARG A 245 160.892 184.713 225.482 1.00 0.00 0.256 HD +ATOM 2079 HH22 ARG A 245 162.367 182.084 226.811 1.00 0.00 0.256 HD +ATOM 2080 HH21 ARG A 245 162.250 183.566 226.912 1.00 0.00 0.256 HD +ATOM 2081 H ARG A 245 156.915 178.445 223.636 1.00 0.00 0.164 HD +ATOM 2082 C LEU A 246 160.427 176.501 228.129 1.00 0.00 0.243 C +ATOM 2083 O LEU A 246 160.190 176.050 229.248 1.00 0.00 -0.272 OA +ATOM 2084 CA LEU A 246 160.164 175.667 226.877 1.00 0.00 0.172 C +ATOM 2085 N LEU A 246 159.963 176.520 225.714 1.00 0.00 -0.345 N +ATOM 2086 CB LEU A 246 161.328 174.706 226.622 1.00 0.00 0.038 C +ATOM 2087 CG LEU A 246 161.644 173.667 227.698 1.00 0.00 -0.015 C +ATOM 2088 CD1 LEU A 246 160.442 172.778 227.973 1.00 0.00 0.007 C +ATOM 2089 CD2 LEU A 246 162.838 172.833 227.273 1.00 0.00 0.007 C +ATOM 2090 H LEU A 246 160.689 176.700 225.289 1.00 0.00 0.165 HD +ATOM 2091 C PHE A 247 162.350 178.009 229.906 1.00 0.00 0.243 C +ATOM 2092 O PHE A 247 162.419 178.285 231.102 1.00 0.00 -0.272 OA +ATOM 2093 CA PHE A 247 161.289 178.632 229.002 1.00 0.00 0.175 C +ATOM 2094 N PHE A 247 160.921 177.720 227.918 1.00 0.00 -0.343 N +ATOM 2095 CB PHE A 247 160.050 179.050 229.798 1.00 0.00 0.070 C +ATOM 2096 CG PHE A 247 159.160 179.988 229.045 1.00 0.00 -0.045 A +ATOM 2097 CD1 PHE A 247 159.520 181.313 228.885 1.00 0.00 0.004 A +ATOM 2098 CD2 PHE A 247 157.985 179.542 228.471 1.00 0.00 0.004 A +ATOM 2099 CE1 PHE A 247 158.719 182.181 228.179 1.00 0.00 0.000 A +ATOM 2100 CE2 PHE A 247 157.179 180.408 227.763 1.00 0.00 0.000 A +ATOM 2101 CZ PHE A 247 157.548 181.730 227.618 1.00 0.00 0.000 A +ATOM 2102 H PHE A 247 161.055 178.051 227.136 1.00 0.00 0.164 HD +ATOM 2103 C LYS A 248 165.491 176.678 228.880 1.00 0.00 0.242 C +ATOM 2104 O LYS A 248 165.338 176.155 227.776 1.00 0.00 -0.273 OA +ATOM 2105 CA LYS A 248 164.377 176.638 229.916 1.00 0.00 0.171 C +ATOM 2106 N LYS A 248 163.178 177.171 229.294 1.00 0.00 -0.344 N +ATOM 2107 CB LYS A 248 164.141 175.211 230.424 1.00 0.00 0.035 C +ATOM 2108 CG LYS A 248 165.405 174.386 230.671 1.00 0.00 0.008 C +ATOM 2109 CD LYS A 248 165.062 172.920 230.892 1.00 0.00 0.061 C +ATOM 2110 CE LYS A 248 166.170 172.001 230.382 1.00 0.00 0.258 C +ATOM 2111 NZ LYS A 248 165.682 170.611 230.151 1.00 0.00 -0.357 N +ATOM 2112 HZ1 LYS A 248 166.348 170.100 229.856 1.00 0.00 0.345 HD +ATOM 2113 HZ2 LYS A 248 165.370 170.269 230.911 1.00 0.00 0.345 HD +ATOM 2114 HZ3 LYS A 248 165.029 170.615 229.546 1.00 0.00 0.345 HD +ATOM 2115 H LYS A 248 163.059 176.889 228.490 1.00 0.00 0.164 HD +ATOM 2116 C ASP A 249 167.487 177.975 227.003 1.00 0.00 0.242 C +ATOM 2117 O ASP A 249 168.188 177.693 226.031 1.00 0.00 -0.273 OA +ATOM 2118 CA ASP A 249 167.780 177.363 228.372 1.00 0.00 0.176 C +ATOM 2119 N ASP A 249 166.600 177.319 229.233 1.00 0.00 -0.343 N +ATOM 2120 CB ASP A 249 168.355 175.955 228.197 1.00 0.00 0.087 C +ATOM 2121 CG ASP A 249 168.786 175.337 229.510 1.00 0.00 0.044 C +ATOM 2122 OD1 ASP A 249 169.151 176.097 230.432 1.00 0.00 -0.548 OA +ATOM 2123 OD2 ASP A 249 168.760 174.094 229.619 1.00 0.00 -0.549 OA +ATOM 2124 H ASP A 249 166.697 177.742 229.975 1.00 0.00 0.164 HD +ATOM 2125 C GLY A 250 165.503 178.644 224.641 1.00 0.00 0.239 C +ATOM 2126 O GLY A 250 165.294 179.084 223.512 1.00 0.00 -0.273 OA +ATOM 2127 CA GLY A 250 166.122 179.521 225.710 1.00 0.00 0.216 C +ATOM 2128 N GLY A 250 166.452 178.808 226.932 1.00 0.00 -0.346 N +ATOM 2129 H GLY A 250 165.922 178.977 227.587 1.00 0.00 0.164 HD +ATOM 2130 C LYS A 251 163.323 176.419 223.663 1.00 0.00 0.242 C +ATOM 2131 O LYS A 251 162.507 177.051 224.328 1.00 0.00 -0.273 OA +ATOM 2132 CA LYS A 251 164.803 176.403 224.022 1.00 0.00 0.171 C +ATOM 2133 N LYS A 251 165.185 177.409 225.004 1.00 0.00 -0.344 N +ATOM 2134 CB LYS A 251 165.190 175.014 224.530 1.00 0.00 0.035 C +ATOM 2135 CG LYS A 251 166.667 174.716 224.353 1.00 0.00 0.008 C +ATOM 2136 CD LYS A 251 167.051 173.352 224.875 1.00 0.00 0.061 C +ATOM 2137 CE LYS A 251 168.510 173.060 224.566 1.00 0.00 0.258 C +ATOM 2138 NZ LYS A 251 168.901 171.667 224.902 1.00 0.00 -0.357 N +ATOM 2139 HZ1 LYS A 251 169.759 171.536 224.707 1.00 0.00 0.345 HD +ATOM 2140 HZ2 LYS A 251 168.776 171.518 225.771 1.00 0.00 0.345 HD +ATOM 2141 HZ3 LYS A 251 168.407 171.092 224.436 1.00 0.00 0.345 HD +ATOM 2142 H LYS A 251 165.183 177.126 225.816 1.00 0.00 0.164 HD +ATOM 2143 C MET A 252 161.180 174.118 222.579 1.00 0.00 0.242 C +ATOM 2144 O MET A 252 161.980 173.185 222.597 1.00 0.00 -0.272 OA +ATOM 2145 CA MET A 252 161.636 175.507 222.144 1.00 0.00 0.172 C +ATOM 2146 N MET A 252 163.007 175.717 222.582 1.00 0.00 -0.344 N +ATOM 2147 CB MET A 252 161.541 175.654 220.624 1.00 0.00 0.046 C +ATOM 2148 CG MET A 252 161.834 177.057 220.119 1.00 0.00 0.072 C +ATOM 2149 SD MET A 252 160.436 178.175 220.311 1.00 0.00 -0.165 SA +ATOM 2150 CE MET A 252 159.435 177.686 218.911 1.00 0.00 0.085 C +ATOM 2151 H MET A 252 163.588 175.341 222.072 1.00 0.00 0.164 HD +ATOM 2152 C LYS A 253 159.559 171.666 222.206 1.00 0.00 0.242 C +ATOM 2153 O LYS A 253 159.667 172.029 221.038 1.00 0.00 -0.273 OA +ATOM 2154 CA LYS A 253 159.347 172.688 223.317 1.00 0.00 0.171 C +ATOM 2155 N LYS A 253 159.906 173.985 222.940 1.00 0.00 -0.344 N +ATOM 2156 CB LYS A 253 157.854 172.809 223.631 1.00 0.00 0.035 C +ATOM 2157 CG LYS A 253 157.527 173.429 224.984 1.00 0.00 0.008 C +ATOM 2158 CD LYS A 253 156.046 173.275 225.301 1.00 0.00 0.061 C +ATOM 2159 CE LYS A 253 155.692 173.798 226.685 1.00 0.00 0.258 C +ATOM 2160 NZ LYS A 253 154.999 175.121 226.627 1.00 0.00 -0.357 N +ATOM 2161 HZ1 LYS A 253 154.805 175.399 227.450 1.00 0.00 0.345 HD +ATOM 2162 HZ2 LYS A 253 155.525 175.722 226.234 1.00 0.00 0.345 HD +ATOM 2163 HZ3 LYS A 253 154.244 175.048 226.161 1.00 0.00 0.345 HD +ATOM 2164 H LYS A 253 159.342 174.633 222.976 1.00 0.00 0.164 HD +ATOM 2165 C TYR A 254 159.478 167.956 222.131 1.00 0.00 0.243 C +ATOM 2166 O TYR A 254 159.245 167.788 223.326 1.00 0.00 -0.272 OA +ATOM 2167 CA TYR A 254 159.839 169.335 221.588 1.00 0.00 0.175 C +ATOM 2168 N TYR A 254 159.616 170.390 222.569 1.00 0.00 -0.343 N +ATOM 2169 CB TYR A 254 161.300 169.338 221.130 1.00 0.00 0.070 C +ATOM 2170 CG TYR A 254 162.289 169.080 222.244 1.00 0.00 -0.045 A +ATOM 2171 CD1 TYR A 254 162.780 170.122 223.013 1.00 0.00 0.007 A +ATOM 2172 CD2 TYR A 254 162.729 167.795 222.526 1.00 0.00 0.007 A +ATOM 2173 CE1 TYR A 254 163.682 169.896 224.032 1.00 0.00 0.046 A +ATOM 2174 CE2 TYR A 254 163.632 167.557 223.545 1.00 0.00 0.046 A +ATOM 2175 CZ TYR A 254 164.104 168.612 224.295 1.00 0.00 0.115 A +ATOM 2176 OH TYR A 254 165.004 168.385 225.311 1.00 0.00 -0.507 OA +ATOM 2177 HH TYR A 254 165.176 167.565 225.364 1.00 0.00 0.294 HD +ATOM 2178 H TYR A 254 159.529 170.108 223.377 1.00 0.00 0.164 HD +ATOM 2179 C GLN A 255 160.474 164.775 221.220 1.00 0.00 0.242 C +ATOM 2180 O GLN A 255 161.169 165.117 220.268 1.00 0.00 -0.273 OA +ATOM 2181 CA GLN A 255 159.242 165.579 221.590 1.00 0.00 0.171 C +ATOM 2182 N GLN A 255 159.432 166.979 221.230 1.00 0.00 -0.343 N +ATOM 2183 CB GLN A 255 158.038 164.975 220.869 1.00 0.00 0.045 C +ATOM 2184 CG GLN A 255 156.696 165.539 221.243 1.00 0.00 0.102 C +ATOM 2185 CD GLN A 255 155.579 164.884 220.455 1.00 0.00 0.217 C +ATOM 2186 OE1 GLN A 255 155.011 163.881 220.881 1.00 0.00 -0.275 OA +ATOM 2187 NE2 GLN A 255 155.271 165.442 219.291 1.00 0.00 -0.368 N +ATOM 2188 HE22 GLN A 255 155.698 166.138 219.021 1.00 0.00 0.159 HD +ATOM 2189 HE21 GLN A 255 154.644 165.107 218.806 1.00 0.00 0.159 HD +ATOM 2190 H GLN A 255 159.509 167.107 220.383 1.00 0.00 0.164 HD +ATOM 2191 C ILE A 256 160.889 161.446 221.104 1.00 0.00 0.243 C +ATOM 2192 O ILE A 256 160.298 160.763 221.939 1.00 0.00 -0.272 OA +ATOM 2193 CA ILE A 256 161.675 162.682 221.520 1.00 0.00 0.174 C +ATOM 2194 N ILE A 256 160.734 163.703 221.962 1.00 0.00 -0.343 N +ATOM 2195 CB ILE A 256 162.696 162.303 222.604 1.00 0.00 0.018 C +ATOM 2196 CG2 ILE A 256 163.695 161.285 222.057 1.00 0.00 0.010 C +ATOM 2197 CG1 ILE A 256 163.427 163.547 223.115 1.00 0.00 0.002 C +ATOM 2198 CD1 ILE A 256 164.180 164.315 222.045 1.00 0.00 0.004 C +ATOM 2199 H ILE A 256 160.376 163.544 222.728 1.00 0.00 0.164 HD +ATOM 2200 C ILE A 257 161.240 159.215 218.450 1.00 0.00 0.243 C +ATOM 2201 O ILE A 257 161.921 159.760 217.584 1.00 0.00 -0.272 OA +ATOM 2202 CA ILE A 257 160.216 160.013 219.239 1.00 0.00 0.174 C +ATOM 2203 N ILE A 257 160.875 161.183 219.802 1.00 0.00 -0.343 N +ATOM 2204 CB ILE A 257 159.037 160.390 218.317 1.00 0.00 0.018 C +ATOM 2205 CG2 ILE A 257 158.261 159.137 217.923 1.00 0.00 0.010 C +ATOM 2206 CG1 ILE A 257 158.120 161.411 219.003 1.00 0.00 0.002 C +ATOM 2207 CD1 ILE A 257 156.980 161.911 218.134 1.00 0.00 0.004 C +ATOM 2208 H ILE A 257 161.251 161.681 219.210 1.00 0.00 0.164 HD +ATOM 2209 C ASP A 258 163.748 157.597 218.306 1.00 0.00 0.242 C +ATOM 2210 O ASP A 258 164.610 157.408 217.450 1.00 0.00 -0.273 OA +ATOM 2211 CA ASP A 258 162.332 157.056 218.121 1.00 0.00 0.176 C +ATOM 2212 N ASP A 258 161.350 157.926 218.762 1.00 0.00 -0.343 N +ATOM 2213 CB ASP A 258 162.024 156.900 216.630 1.00 0.00 0.087 C +ATOM 2214 CG ASP A 258 160.611 156.420 216.373 1.00 0.00 0.044 C +ATOM 2215 OD1 ASP A 258 160.118 155.579 217.149 1.00 0.00 -0.548 OA +ATOM 2216 OD2 ASP A 258 159.992 156.888 215.394 1.00 0.00 -0.549 OA +ATOM 2217 H ASP A 258 160.862 157.527 219.347 1.00 0.00 0.164 HD +ATOM 2218 C GLY A 259 165.662 160.078 219.028 1.00 0.00 0.239 C +ATOM 2219 O GLY A 259 166.829 160.471 219.024 1.00 0.00 -0.273 OA +ATOM 2220 CA GLY A 259 165.290 158.797 219.758 1.00 0.00 0.216 C +ATOM 2221 N GLY A 259 163.974 158.280 219.424 1.00 0.00 -0.346 N +ATOM 2222 H GLY A 259 163.372 158.458 220.012 1.00 0.00 0.164 HD +ATOM 2223 C GLU A 260 163.976 163.080 218.024 1.00 0.00 0.242 C +ATOM 2224 O GLU A 260 162.847 162.843 218.439 1.00 0.00 -0.273 OA +ATOM 2225 CA GLU A 260 164.924 161.947 217.644 1.00 0.00 0.171 C +ATOM 2226 N GLU A 260 164.678 160.730 218.416 1.00 0.00 -0.344 N +ATOM 2227 CB GLU A 260 164.799 161.655 216.152 1.00 0.00 0.041 C +ATOM 2228 CG GLU A 260 165.853 160.702 215.631 1.00 0.00 0.055 C +ATOM 2229 CD GLU A 260 166.392 161.125 214.286 1.00 0.00 0.041 C +ATOM 2230 OE1 GLU A 260 165.758 160.797 213.261 1.00 0.00 -0.548 OA +ATOM 2231 OE2 GLU A 260 167.446 161.795 214.254 1.00 0.00 -0.549 OA +ATOM 2232 H GLU A 260 163.853 160.487 218.432 1.00 0.00 0.164 HD +ATOM 2233 C MET A 261 162.631 165.867 217.219 1.00 0.00 0.242 C +ATOM 2234 O MET A 261 162.937 166.016 216.039 1.00 0.00 -0.272 OA +ATOM 2235 CA MET A 261 163.682 165.489 218.258 1.00 0.00 0.172 C +ATOM 2236 N MET A 261 164.447 164.312 217.862 1.00 0.00 -0.344 N +ATOM 2237 CB MET A 261 164.618 166.676 218.497 1.00 0.00 0.046 C +ATOM 2238 CG MET A 261 163.900 167.965 218.876 1.00 0.00 0.072 C +ATOM 2239 SD MET A 261 165.027 169.341 219.171 1.00 0.00 -0.165 SA +ATOM 2240 CE MET A 261 165.928 168.753 220.601 1.00 0.00 0.085 C +ATOM 2241 H MET A 261 165.216 164.495 217.522 1.00 0.00 0.164 HD +ATOM 2242 C TYR A 262 159.572 167.629 217.480 1.00 0.00 0.243 C +ATOM 2243 O TYR A 262 159.756 167.882 218.669 1.00 0.00 -0.272 OA +ATOM 2244 CA TYR A 262 160.296 166.463 216.824 1.00 0.00 0.175 C +ATOM 2245 N TYR A 262 161.393 166.019 217.674 1.00 0.00 -0.343 N +ATOM 2246 CB TYR A 262 159.322 165.317 216.558 1.00 0.00 0.070 C +ATOM 2247 CG TYR A 262 159.849 164.294 215.582 1.00 0.00 -0.045 A +ATOM 2248 CD1 TYR A 262 160.423 163.111 216.026 1.00 0.00 0.007 A +ATOM 2249 CD2 TYR A 262 159.777 164.516 214.214 1.00 0.00 0.007 A +ATOM 2250 CE1 TYR A 262 160.905 162.179 215.137 1.00 0.00 0.046 A +ATOM 2251 CE2 TYR A 262 160.258 163.586 213.318 1.00 0.00 0.046 A +ATOM 2252 CZ TYR A 262 160.820 162.419 213.785 1.00 0.00 0.115 A +ATOM 2253 OH TYR A 262 161.300 161.489 212.894 1.00 0.00 -0.507 OA +ATOM 2254 HH TYR A 262 161.186 161.760 212.107 1.00 0.00 0.294 HD +ATOM 2255 H TYR A 262 161.159 165.869 218.488 1.00 0.00 0.164 HD +ATOM 2256 C PRO A 263 156.987 168.900 218.342 1.00 0.00 0.243 C +ATOM 2257 O PRO A 263 156.600 167.736 218.265 1.00 0.00 -0.271 OA +ATOM 2258 CA PRO A 263 157.973 169.434 217.313 1.00 0.00 0.175 C +ATOM 2259 N PRO A 263 158.745 168.346 216.708 1.00 0.00 -0.329 N +ATOM 2260 CB PRO A 263 157.242 170.062 216.120 1.00 0.00 0.037 C +ATOM 2261 CG PRO A 263 157.979 169.597 214.912 1.00 0.00 0.024 C +ATOM 2262 CD PRO A 263 158.512 168.248 215.258 1.00 0.00 0.121 C +ATOM 2263 C PRO A 264 154.237 169.125 219.732 1.00 0.00 0.243 C +ATOM 2264 O PRO A 264 154.007 169.472 218.574 1.00 0.00 -0.271 OA +ATOM 2265 CA PRO A 264 155.630 169.306 220.317 1.00 0.00 0.175 C +ATOM 2266 N PRO A 264 156.580 169.745 219.295 1.00 0.00 -0.329 N +ATOM 2267 CB PRO A 264 155.666 170.444 221.333 1.00 0.00 0.037 C +ATOM 2268 CG PRO A 264 155.972 171.650 220.504 1.00 0.00 0.024 C +ATOM 2269 CD PRO A 264 156.889 171.180 219.408 1.00 0.00 0.121 C +ATOM 2270 C THR A 265 151.084 169.595 220.358 1.00 0.00 0.245 C +ATOM 2271 O THR A 265 151.437 170.452 221.166 1.00 0.00 -0.273 OA +ATOM 2272 CA THR A 265 151.952 168.379 220.078 1.00 0.00 0.199 C +ATOM 2273 N THR A 265 153.319 168.594 220.528 1.00 0.00 -0.341 N +ATOM 2274 CB THR A 265 151.318 167.159 220.767 1.00 0.00 0.143 C +ATOM 2275 CG2 THR A 265 152.115 165.900 220.468 1.00 0.00 0.041 C +ATOM 2276 OG1 THR A 265 151.282 167.379 222.183 1.00 0.00 -0.389 OA +ATOM 2277 HG1 THR A 265 150.937 166.716 222.567 1.00 0.00 0.211 HD +ATOM 2278 H THR A 265 153.464 168.348 221.339 1.00 0.00 0.164 HD +ATOM 2279 C VAL A 266 148.416 170.496 221.393 1.00 0.00 0.243 C +ATOM 2280 O VAL A 266 148.128 171.478 222.073 1.00 0.00 -0.272 OA +ATOM 2281 CA VAL A 266 148.931 170.662 219.965 1.00 0.00 0.173 C +ATOM 2282 N VAL A 266 149.945 169.660 219.679 1.00 0.00 -0.343 N +ATOM 2283 CB VAL A 266 147.758 170.565 218.961 1.00 0.00 0.015 C +ATOM 2284 CG1 VAL A 266 146.511 171.298 219.473 1.00 0.00 0.010 C +ATOM 2285 CG2 VAL A 266 148.186 171.112 217.608 1.00 0.00 0.010 C +ATOM 2286 H VAL A 266 149.735 169.127 219.038 1.00 0.00 0.164 HD +ATOM 2287 C LYS A 267 148.721 169.541 224.258 1.00 0.00 0.242 C +ATOM 2288 O LYS A 267 148.259 170.091 225.256 1.00 0.00 -0.273 OA +ATOM 2289 CA LYS A 267 147.799 168.970 223.183 1.00 0.00 0.171 C +ATOM 2290 N LYS A 267 148.303 169.251 221.843 1.00 0.00 -0.344 N +ATOM 2291 CB LYS A 267 147.631 167.463 223.393 1.00 0.00 0.035 C +ATOM 2292 CG LYS A 267 147.087 167.091 224.768 1.00 0.00 0.008 C +ATOM 2293 CD LYS A 267 146.935 165.590 224.932 1.00 0.00 0.061 C +ATOM 2294 CE LYS A 267 146.267 165.244 226.254 1.00 0.00 0.258 C +ATOM 2295 NZ LYS A 267 146.062 163.779 226.412 1.00 0.00 -0.357 N +ATOM 2296 HZ1 LYS A 267 145.671 163.609 227.193 1.00 0.00 0.345 HD +ATOM 2297 HZ2 LYS A 267 145.545 163.472 225.756 1.00 0.00 0.345 HD +ATOM 2298 HZ3 LYS A 267 146.846 163.358 226.383 1.00 0.00 0.345 HD +ATOM 2299 H LYS A 267 148.512 168.549 221.392 1.00 0.00 0.164 HD +ATOM 2300 C ASP A 268 151.256 171.326 225.054 1.00 0.00 0.242 C +ATOM 2301 O ASP A 268 151.642 171.889 226.079 1.00 0.00 -0.273 OA +ATOM 2302 CA ASP A 268 151.002 169.817 225.050 1.00 0.00 0.176 C +ATOM 2303 N ASP A 268 150.025 169.412 224.046 1.00 0.00 -0.343 N +ATOM 2304 CB ASP A 268 152.319 169.072 224.824 1.00 0.00 0.087 C +ATOM 2305 CG ASP A 268 153.313 169.299 225.943 1.00 0.00 0.044 C +ATOM 2306 OD1 ASP A 268 153.178 168.645 226.999 1.00 0.00 -0.548 OA +ATOM 2307 OD2 ASP A 268 154.231 170.127 225.767 1.00 0.00 -0.549 OA +ATOM 2308 H ASP A 268 150.372 169.093 223.327 1.00 0.00 0.164 HD +ATOM 2309 C THR A 269 150.116 174.299 223.837 1.00 0.00 0.245 C +ATOM 2310 O THR A 269 150.222 175.459 224.227 1.00 0.00 -0.273 OA +ATOM 2311 CA THR A 269 151.344 173.399 223.767 1.00 0.00 0.199 C +ATOM 2312 N THR A 269 151.033 171.977 223.915 1.00 0.00 -0.341 N +ATOM 2313 CB THR A 269 152.046 173.680 222.430 1.00 0.00 0.143 C +ATOM 2314 CG2 THR A 269 153.338 172.884 222.325 1.00 0.00 0.041 C +ATOM 2315 OG1 THR A 269 151.173 173.335 221.346 1.00 0.00 -0.389 OA +ATOM 2316 HG1 THR A 269 150.973 172.520 221.386 1.00 0.00 0.211 HD +ATOM 2317 H THR A 269 150.700 171.617 223.209 1.00 0.00 0.164 HD +ATOM 2318 C GLN A 270 147.826 175.529 222.153 1.00 0.00 0.242 C +ATOM 2319 O GLN A 270 147.035 176.466 222.066 1.00 0.00 -0.273 OA +ATOM 2320 CA GLN A 270 147.724 174.531 223.306 1.00 0.00 0.171 C +ATOM 2321 N GLN A 270 148.962 173.760 223.450 1.00 0.00 -0.343 N +ATOM 2322 CB GLN A 270 147.361 175.263 224.606 1.00 0.00 0.045 C +ATOM 2323 CG GLN A 270 147.124 174.340 225.782 1.00 0.00 0.102 C +ATOM 2324 CD GLN A 270 145.896 173.477 225.592 1.00 0.00 0.217 C +ATOM 2325 OE1 GLN A 270 145.997 172.292 225.267 1.00 0.00 -0.275 OA +ATOM 2326 NE2 GLN A 270 144.725 174.068 225.788 1.00 0.00 -0.368 N +ATOM 2327 HE22 GLN A 270 144.694 174.898 226.010 1.00 0.00 0.159 HD +ATOM 2328 HE21 GLN A 270 143.996 173.621 225.692 1.00 0.00 0.159 HD +ATOM 2329 H GLN A 270 148.867 172.926 223.261 1.00 0.00 0.164 HD +ATOM 2330 C ALA A 271 148.111 175.558 218.935 1.00 0.00 0.243 C +ATOM 2331 O ALA A 271 148.329 174.423 218.515 1.00 0.00 -0.272 OA +ATOM 2332 CA ALA A 271 148.944 176.136 220.073 1.00 0.00 0.168 C +ATOM 2333 N ALA A 271 148.796 175.315 221.268 1.00 0.00 -0.344 N +ATOM 2334 CB ALA A 271 150.405 176.228 219.669 1.00 0.00 0.041 C +ATOM 2335 H ALA A 271 149.386 174.694 221.339 1.00 0.00 0.164 HD +ATOM 2336 C GLU A 272 147.010 175.537 216.102 1.00 0.00 0.242 C +ATOM 2337 O GLU A 272 147.928 176.244 215.688 1.00 0.00 -0.273 OA +ATOM 2338 CA GLU A 272 146.262 175.894 217.380 1.00 0.00 0.171 C +ATOM 2339 N GLU A 272 147.156 176.341 218.444 1.00 0.00 -0.344 N +ATOM 2340 CB GLU A 272 145.222 176.973 217.067 1.00 0.00 0.041 C +ATOM 2341 CG GLU A 272 144.004 176.961 217.974 1.00 0.00 0.055 C +ATOM 2342 CD GLU A 272 142.935 177.937 217.522 1.00 0.00 0.041 C +ATOM 2343 OE1 GLU A 272 143.179 178.681 216.549 1.00 0.00 -0.548 OA +ATOM 2344 OE2 GLU A 272 141.850 177.957 218.138 1.00 0.00 -0.549 OA +ATOM 2345 H GLU A 272 147.004 177.144 218.712 1.00 0.00 0.164 HD +ATOM 2346 C MET A 273 145.874 173.730 213.285 1.00 0.00 0.242 C +ATOM 2347 O MET A 273 144.772 173.523 213.786 1.00 0.00 -0.272 OA +ATOM 2348 CA MET A 273 147.074 174.043 214.166 1.00 0.00 0.172 C +ATOM 2349 N MET A 273 146.602 174.431 215.487 1.00 0.00 -0.344 N +ATOM 2350 CB MET A 273 147.995 172.825 214.242 1.00 0.00 0.046 C +ATOM 2351 CG MET A 273 149.313 173.071 214.956 1.00 0.00 0.072 C +ATOM 2352 SD MET A 273 150.425 174.165 214.052 1.00 0.00 -0.165 SA +ATOM 2353 CE MET A 273 150.838 173.176 212.618 1.00 0.00 0.085 C +ATOM 2354 H MET A 273 146.039 173.876 215.826 1.00 0.00 0.164 HD +ATOM 2355 C ILE A 274 145.257 171.779 210.736 1.00 0.00 0.243 C +ATOM 2356 O ILE A 274 146.179 171.400 210.014 1.00 0.00 -0.272 OA +ATOM 2357 CA ILE A 274 145.062 173.254 211.045 1.00 0.00 0.174 C +ATOM 2358 N ILE A 274 146.089 173.700 211.975 1.00 0.00 -0.343 N +ATOM 2359 CB ILE A 274 145.081 174.053 209.732 1.00 0.00 0.018 C +ATOM 2360 CG2 ILE A 274 143.995 173.550 208.781 1.00 0.00 0.010 C +ATOM 2361 CG1 ILE A 274 144.899 175.548 210.012 1.00 0.00 0.002 C +ATOM 2362 CD1 ILE A 274 143.652 175.890 210.809 1.00 0.00 0.004 C +ATOM 2363 H ILE A 274 146.826 173.934 211.598 1.00 0.00 0.164 HD +ATOM 2364 C TYR A 275 142.941 169.059 210.783 1.00 0.00 0.243 C +ATOM 2365 O TYR A 275 142.029 169.439 211.509 1.00 0.00 -0.272 OA +ATOM 2366 CA TYR A 275 144.367 169.527 211.038 1.00 0.00 0.175 C +ATOM 2367 N TYR A 275 144.378 170.959 211.299 1.00 0.00 -0.343 N +ATOM 2368 CB TYR A 275 144.963 168.755 212.215 1.00 0.00 0.070 C +ATOM 2369 CG TYR A 275 146.470 168.803 212.285 1.00 0.00 -0.045 A +ATOM 2370 CD1 TYR A 275 147.247 168.131 211.352 1.00 0.00 0.007 A +ATOM 2371 CD2 TYR A 275 147.115 169.507 213.291 1.00 0.00 0.007 A +ATOM 2372 CE1 TYR A 275 148.621 168.166 211.413 1.00 0.00 0.046 A +ATOM 2373 CE2 TYR A 275 148.493 169.548 213.359 1.00 0.00 0.046 A +ATOM 2374 CZ TYR A 275 149.240 168.875 212.418 1.00 0.00 0.115 A +ATOM 2375 OH TYR A 275 150.612 168.911 212.477 1.00 0.00 -0.507 OA +ATOM 2376 HH TYR A 275 150.859 169.374 213.133 1.00 0.00 0.294 HD +ATOM 2377 H TYR A 275 143.765 171.214 211.847 1.00 0.00 0.164 HD +ATOM 2378 C PRO A 276 141.078 166.704 210.715 1.00 0.00 0.243 C +ATOM 2379 O PRO A 276 142.008 166.185 211.328 1.00 0.00 -0.271 OA +ATOM 2380 CA PRO A 276 141.390 167.684 209.585 1.00 0.00 0.175 C +ATOM 2381 N PRO A 276 142.736 168.239 209.742 1.00 0.00 -0.329 N +ATOM 2382 CB PRO A 276 141.449 166.988 208.224 1.00 0.00 0.037 C +ATOM 2383 CG PRO A 276 142.887 166.706 207.997 1.00 0.00 0.024 C +ATOM 2384 CD PRO A 276 143.634 167.825 208.650 1.00 0.00 0.121 C +ATOM 2385 C PRO A 277 139.998 164.283 212.281 1.00 0.00 0.243 C +ATOM 2386 O PRO A 277 140.053 163.743 213.387 1.00 0.00 -0.271 OA +ATOM 2387 CA PRO A 277 139.353 165.667 212.150 1.00 0.00 0.175 C +ATOM 2388 N PRO A 277 139.787 166.451 210.985 1.00 0.00 -0.329 N +ATOM 2389 CB PRO A 277 137.843 165.524 211.925 1.00 0.00 0.037 C +ATOM 2390 CG PRO A 277 137.473 166.666 211.059 1.00 0.00 0.024 C +ATOM 2391 CD PRO A 277 138.645 166.907 210.173 1.00 0.00 0.121 C +ATOM 2392 C GLN A 278 142.324 162.233 211.897 1.00 0.00 0.242 C +ATOM 2393 O GLN A 278 142.627 161.200 212.497 1.00 0.00 -0.273 OA +ATOM 2394 CA GLN A 278 140.983 162.350 211.183 1.00 0.00 0.171 C +ATOM 2395 N GLN A 278 140.481 163.721 211.179 1.00 0.00 -0.343 N +ATOM 2396 CB GLN A 278 141.123 161.821 209.754 1.00 0.00 0.045 C +ATOM 2397 CG GLN A 278 139.902 162.048 208.876 1.00 0.00 0.102 C +ATOM 2398 CD GLN A 278 139.937 163.382 208.155 1.00 0.00 0.217 C +ATOM 2399 OE1 GLN A 278 140.957 163.763 207.580 1.00 0.00 -0.275 OA +ATOM 2400 NE2 GLN A 278 138.820 164.100 208.184 1.00 0.00 -0.368 N +ATOM 2401 HE22 GLN A 278 138.128 163.801 208.597 1.00 0.00 0.159 HD +ATOM 2402 HE21 GLN A 278 138.790 164.863 207.790 1.00 0.00 0.159 HD +ATOM 2403 H GLN A 278 140.529 164.111 210.414 1.00 0.00 0.164 HD +ATOM 2404 C VAL A 279 144.409 163.054 213.902 1.00 0.00 0.243 C +ATOM 2405 O VAL A 279 143.812 163.856 214.619 1.00 0.00 -0.272 OA +ATOM 2406 CA VAL A 279 144.473 163.276 212.388 1.00 0.00 0.173 C +ATOM 2407 N VAL A 279 143.126 163.291 211.822 1.00 0.00 -0.343 N +ATOM 2408 CB VAL A 279 145.225 164.590 212.092 1.00 0.00 0.015 C +ATOM 2409 CG1 VAL A 279 146.666 164.509 212.584 1.00 0.00 0.010 C +ATOM 2410 CG2 VAL A 279 145.200 164.895 210.599 1.00 0.00 0.010 C +ATOM 2411 H VAL A 279 142.912 164.035 211.447 1.00 0.00 0.164 HD +ATOM 2412 C PRO A 280 145.808 162.670 216.657 1.00 0.00 0.243 C +ATOM 2413 O PRO A 280 146.705 163.310 216.110 1.00 0.00 -0.271 OA +ATOM 2414 CA PRO A 280 144.961 161.696 215.843 1.00 0.00 0.175 C +ATOM 2415 N PRO A 280 145.019 161.962 214.400 1.00 0.00 -0.329 N +ATOM 2416 CB PRO A 280 145.499 160.268 215.958 1.00 0.00 0.037 C +ATOM 2417 CG PRO A 280 146.376 160.101 214.783 1.00 0.00 0.024 C +ATOM 2418 CD PRO A 280 145.771 160.917 213.682 1.00 0.00 0.121 C +ATOM 2419 C GLU A 281 147.652 163.774 218.765 1.00 0.00 0.242 C +ATOM 2420 O GLU A 281 148.262 164.842 218.687 1.00 0.00 -0.273 OA +ATOM 2421 CA GLU A 281 146.128 163.749 218.839 1.00 0.00 0.171 C +ATOM 2422 N GLU A 281 145.521 162.755 217.955 1.00 0.00 -0.344 N +ATOM 2423 CB GLU A 281 145.707 163.493 220.292 1.00 0.00 0.041 C +ATOM 2424 CG GLU A 281 144.206 163.359 220.518 1.00 0.00 0.055 C +ATOM 2425 CD GLU A 281 143.453 164.645 220.251 1.00 0.00 0.041 C +ATOM 2426 OE1 GLU A 281 143.606 165.599 221.041 1.00 0.00 -0.548 OA +ATOM 2427 OE2 GLU A 281 142.705 164.702 219.251 1.00 0.00 -0.549 OA +ATOM 2428 H GLU A 281 144.966 162.235 218.356 1.00 0.00 0.164 HD +ATOM 2429 C HIS A 282 150.464 162.842 217.643 1.00 0.00 0.242 C +ATOM 2430 O HIS A 282 151.678 163.037 217.669 1.00 0.00 -0.272 OA +ATOM 2431 CA HIS A 282 149.714 162.494 218.928 1.00 0.00 0.177 C +ATOM 2432 N HIS A 282 148.265 162.594 218.790 1.00 0.00 -0.343 N +ATOM 2433 CB HIS A 282 150.100 161.087 219.384 1.00 0.00 0.093 C +ATOM 2434 CG HIS A 282 149.876 160.032 218.347 1.00 0.00 0.061 A +ATOM 2435 ND1 HIS A 282 148.660 159.408 218.169 1.00 0.00 -0.242 NA +ATOM 2436 CD2 HIS A 282 150.714 159.488 217.434 1.00 0.00 0.107 A +ATOM 2437 CE1 HIS A 282 148.759 158.527 217.190 1.00 0.00 0.196 A +ATOM 2438 NE2 HIS A 282 149.996 158.556 216.726 1.00 0.00 -0.350 N +ATOM 2439 HE2 HIS A 282 150.301 158.070 216.086 1.00 0.00 0.167 HD +ATOM 2440 H HIS A 282 147.863 161.836 218.729 1.00 0.00 0.164 HD +ATOM 2441 C LEU A 283 150.089 164.741 214.907 1.00 0.00 0.243 C +ATOM 2442 O LEU A 283 150.580 165.249 213.899 1.00 0.00 -0.272 OA +ATOM 2443 CA LEU A 283 150.350 163.280 215.246 1.00 0.00 0.172 C +ATOM 2444 N LEU A 283 149.748 162.911 216.525 1.00 0.00 -0.345 N +ATOM 2445 CB LEU A 283 149.822 162.387 214.121 1.00 0.00 0.038 C +ATOM 2446 CG LEU A 283 150.316 160.937 214.107 1.00 0.00 -0.015 C +ATOM 2447 CD1 LEU A 283 149.612 160.157 213.012 1.00 0.00 0.007 C +ATOM 2448 CD2 LEU A 283 151.829 160.868 213.922 1.00 0.00 0.007 C +ATOM 2449 H LEU A 283 148.905 162.747 216.480 1.00 0.00 0.165 HD +ATOM 2450 C ARG A 284 150.263 167.639 216.057 1.00 0.00 0.242 C +ATOM 2451 O ARG A 284 150.268 168.139 217.181 1.00 0.00 -0.273 OA +ATOM 2452 CA ARG A 284 149.065 166.837 215.563 1.00 0.00 0.171 C +ATOM 2453 N ARG A 284 149.313 165.415 215.746 1.00 0.00 -0.344 N +ATOM 2454 CB ARG A 284 147.791 167.260 216.297 1.00 0.00 0.038 C +ATOM 2455 CG ARG A 284 146.524 166.666 215.702 1.00 0.00 0.040 C +ATOM 2456 CD ARG A 284 145.309 166.909 216.582 1.00 0.00 0.197 C +ATOM 2457 NE ARG A 284 144.128 166.206 216.081 1.00 0.00 -0.278 N +ATOM 2458 HE ARG A 284 144.046 165.374 216.284 1.00 0.00 0.260 HD +ATOM 2459 CZ ARG A 284 143.169 166.751 215.336 1.00 0.00 0.339 C +ATOM 2460 NH1 ARG A 284 143.220 168.031 214.990 1.00 0.00 -0.290 N +ATOM 2461 NH2 ARG A 284 142.145 166.010 214.936 1.00 0.00 -0.290 N +ATOM 2462 HH12 ARG A 284 143.881 168.519 215.244 1.00 0.00 0.256 HD +ATOM 2463 HH11 ARG A 284 142.593 168.371 214.510 1.00 0.00 0.256 HD +ATOM 2464 HH22 ARG A 284 142.102 165.180 215.157 1.00 0.00 0.256 HD +ATOM 2465 HH21 ARG A 284 141.522 166.360 214.457 1.00 0.00 0.256 HD +ATOM 2466 H ARG A 284 148.918 165.072 216.429 1.00 0.00 0.164 HD +ATOM 2467 C PHE A 285 152.185 170.001 215.499 1.00 0.00 0.243 C +ATOM 2468 O PHE A 285 151.469 170.476 214.621 1.00 0.00 -0.272 OA +ATOM 2469 CA PHE A 285 152.481 168.507 215.539 1.00 0.00 0.175 C +ATOM 2470 N PHE A 285 151.285 167.742 215.212 1.00 0.00 -0.343 N +ATOM 2471 CB PHE A 285 153.622 168.177 214.571 1.00 0.00 0.070 C +ATOM 2472 CG PHE A 285 154.171 166.784 214.716 1.00 0.00 -0.045 A +ATOM 2473 CD1 PHE A 285 154.230 166.166 215.951 1.00 0.00 0.004 A +ATOM 2474 CD2 PHE A 285 154.636 166.097 213.610 1.00 0.00 0.004 A +ATOM 2475 CE1 PHE A 285 154.738 164.890 216.078 1.00 0.00 0.000 A +ATOM 2476 CE2 PHE A 285 155.144 164.820 213.735 1.00 0.00 0.000 A +ATOM 2477 CZ PHE A 285 155.195 164.218 214.970 1.00 0.00 0.000 A +ATOM 2478 H PHE A 285 151.308 167.373 214.436 1.00 0.00 0.164 HD +ATOM 2479 C ALA A 286 153.796 172.946 216.292 1.00 0.00 0.243 C +ATOM 2480 O ALA A 286 154.830 172.717 216.917 1.00 0.00 -0.272 OA +ATOM 2481 CA ALA A 286 152.521 172.161 216.577 1.00 0.00 0.168 C +ATOM 2482 N ALA A 286 152.752 170.729 216.454 1.00 0.00 -0.344 N +ATOM 2483 CB ALA A 286 151.998 172.488 217.962 1.00 0.00 0.041 C +ATOM 2484 H ALA A 286 153.282 170.411 217.052 1.00 0.00 0.164 HD +ATOM 2485 C VAL A 287 154.344 176.159 214.769 1.00 0.00 0.243 C +ATOM 2486 O VAL A 287 153.147 176.428 214.860 1.00 0.00 -0.272 OA +ATOM 2487 CA VAL A 287 154.835 174.733 214.991 1.00 0.00 0.173 C +ATOM 2488 N VAL A 287 153.713 173.866 215.336 1.00 0.00 -0.343 N +ATOM 2489 CB VAL A 287 155.578 174.234 213.732 1.00 0.00 0.015 C +ATOM 2490 CG1 VAL A 287 156.156 172.850 213.979 1.00 0.00 0.010 C +ATOM 2491 CG2 VAL A 287 154.654 174.226 212.522 1.00 0.00 0.010 C +ATOM 2492 H VAL A 287 153.007 174.010 214.866 1.00 0.00 0.164 HD +ATOM 2493 C GLY A 288 153.849 178.777 213.371 1.00 0.00 0.239 C +ATOM 2494 O GLY A 288 152.935 179.536 213.683 1.00 0.00 -0.273 OA +ATOM 2495 CA GLY A 288 154.967 178.476 214.352 1.00 0.00 0.216 C +ATOM 2496 N GLY A 288 155.275 177.063 214.481 1.00 0.00 -0.346 N +ATOM 2497 H GLY A 288 156.105 176.876 214.354 1.00 0.00 0.164 HD +ATOM 2498 C GLN A 289 151.760 177.433 211.253 1.00 0.00 0.242 C +ATOM 2499 O GLN A 289 151.933 176.216 211.174 1.00 0.00 -0.273 OA +ATOM 2500 CA GLN A 289 152.936 178.404 211.140 1.00 0.00 0.171 C +ATOM 2501 N GLN A 289 153.924 178.175 212.189 1.00 0.00 -0.343 N +ATOM 2502 CB GLN A 289 153.593 178.279 209.766 1.00 0.00 0.045 C +ATOM 2503 CG GLN A 289 153.469 179.526 208.904 1.00 0.00 0.102 C +ATOM 2504 CD GLN A 289 152.087 179.688 208.302 1.00 0.00 0.217 C +ATOM 2505 OE1 GLN A 289 151.098 179.195 208.846 1.00 0.00 -0.275 OA +ATOM 2506 NE2 GLN A 289 152.013 180.379 207.168 1.00 0.00 -0.368 N +ATOM 2507 HE22 GLN A 289 152.726 180.706 206.816 1.00 0.00 0.159 HD +ATOM 2508 HE21 GLN A 289 151.251 180.499 206.786 1.00 0.00 0.159 HD +ATOM 2509 H GLN A 289 154.544 177.622 211.967 1.00 0.00 0.164 HD +ATOM 2510 C GLU A 290 149.095 176.140 210.564 1.00 0.00 0.242 C +ATOM 2511 O GLU A 290 148.443 175.134 210.840 1.00 0.00 -0.273 OA +ATOM 2512 CA GLU A 290 149.343 177.213 211.626 1.00 0.00 0.171 C +ATOM 2513 N GLU A 290 150.566 177.993 211.424 1.00 0.00 -0.344 N +ATOM 2514 CB GLU A 290 148.129 178.151 211.670 1.00 0.00 0.041 C +ATOM 2515 CG GLU A 290 147.917 178.863 213.005 1.00 0.00 0.055 C +ATOM 2516 CD GLU A 290 148.664 180.184 213.119 1.00 0.00 0.041 C +ATOM 2517 OE1 GLU A 290 149.511 180.482 212.249 1.00 0.00 -0.548 OA +ATOM 2518 OE2 GLU A 290 148.394 180.930 214.085 1.00 0.00 -0.549 OA +ATOM 2519 H GLU A 290 150.433 178.842 211.428 1.00 0.00 0.164 HD +ATOM 2520 C VAL A 291 150.280 174.462 207.824 1.00 0.00 0.243 C +ATOM 2521 O VAL A 291 150.089 173.740 206.846 1.00 0.00 -0.272 OA +ATOM 2522 CA VAL A 291 149.248 175.522 208.209 1.00 0.00 0.173 C +ATOM 2523 N VAL A 291 149.619 176.348 209.358 1.00 0.00 -0.343 N +ATOM 2524 CB VAL A 291 148.990 176.399 206.963 1.00 0.00 0.015 C +ATOM 2525 CG1 VAL A 291 147.987 177.496 207.284 1.00 0.00 0.010 C +ATOM 2526 CG2 VAL A 291 150.291 177.002 206.440 1.00 0.00 0.010 C +ATOM 2527 H VAL A 291 150.193 176.962 209.178 1.00 0.00 0.164 HD +ATOM 2528 C PHE A 292 152.220 172.013 208.409 1.00 0.00 0.243 C +ATOM 2529 O PHE A 292 153.067 171.176 208.095 1.00 0.00 -0.272 OA +ATOM 2530 CA PHE A 292 152.480 173.500 208.177 1.00 0.00 0.175 C +ATOM 2531 N PHE A 292 151.368 174.360 208.578 1.00 0.00 -0.343 N +ATOM 2532 CB PHE A 292 153.760 173.924 208.903 1.00 0.00 0.070 C +ATOM 2533 CG PHE A 292 154.453 175.111 208.280 1.00 0.00 -0.045 A +ATOM 2534 CD1 PHE A 292 153.873 175.816 207.235 1.00 0.00 0.004 A +ATOM 2535 CD2 PHE A 292 155.697 175.514 208.734 1.00 0.00 0.004 A +ATOM 2536 CE1 PHE A 292 154.515 176.895 206.666 1.00 0.00 0.000 A +ATOM 2537 CE2 PHE A 292 156.342 176.594 208.168 1.00 0.00 0.000 A +ATOM 2538 CZ PHE A 292 155.752 177.284 207.133 1.00 0.00 0.000 A +ATOM 2539 H PHE A 292 151.489 174.774 209.321 1.00 0.00 0.164 HD +ATOM 2540 C GLY A 293 150.191 169.781 207.638 1.00 0.00 0.239 C +ATOM 2541 O GLY A 293 150.082 168.574 207.431 1.00 0.00 -0.273 OA +ATOM 2542 CA GLY A 293 150.628 170.293 209.002 1.00 0.00 0.216 C +ATOM 2543 N GLY A 293 151.045 171.680 208.931 1.00 0.00 -0.346 N +ATOM 2544 H GLY A 293 150.475 172.239 209.249 1.00 0.00 0.164 HD +ATOM 2545 C LEU A 294 150.233 169.263 204.691 1.00 0.00 0.243 C +ATOM 2546 O LEU A 294 149.622 168.319 204.193 1.00 0.00 -0.272 OA +ATOM 2547 CA LEU A 294 149.464 170.393 205.366 1.00 0.00 0.172 C +ATOM 2548 N LEU A 294 149.946 170.706 206.711 1.00 0.00 -0.345 N +ATOM 2549 CB LEU A 294 149.526 171.645 204.487 1.00 0.00 0.038 C +ATOM 2550 CG LEU A 294 149.059 171.524 203.031 1.00 0.00 -0.015 C +ATOM 2551 CD1 LEU A 294 147.562 171.267 202.938 1.00 0.00 0.007 C +ATOM 2552 CD2 LEU A 294 149.437 172.775 202.252 1.00 0.00 0.007 C +ATOM 2553 H LEU A 294 150.056 171.549 206.843 1.00 0.00 0.165 HD +ATOM 2554 C VAL A 295 153.622 167.977 204.866 1.00 0.00 0.243 C +ATOM 2555 O VAL A 295 154.223 168.862 205.468 1.00 0.00 -0.272 OA +ATOM 2556 CA VAL A 295 152.372 168.308 204.052 1.00 0.00 0.173 C +ATOM 2557 N VAL A 295 151.560 169.351 204.676 1.00 0.00 -0.343 N +ATOM 2558 CB VAL A 295 152.806 168.703 202.629 1.00 0.00 0.015 C +ATOM 2559 CG1 VAL A 295 151.622 168.658 201.689 1.00 0.00 0.010 C +ATOM 2560 CG2 VAL A 295 153.445 170.080 202.623 1.00 0.00 0.010 C +ATOM 2561 H VAL A 295 152.013 169.999 205.016 1.00 0.00 0.164 HD +ATOM 2562 C PRO A 296 156.497 166.954 205.202 1.00 0.00 0.243 C +ATOM 2563 O PRO A 296 157.444 167.028 205.986 1.00 0.00 -0.271 OA +ATOM 2564 CA PRO A 296 155.212 166.250 205.628 1.00 0.00 0.175 C +ATOM 2565 N PRO A 296 154.025 166.693 204.881 1.00 0.00 -0.329 N +ATOM 2566 CB PRO A 296 155.288 164.755 205.302 1.00 0.00 0.037 C +ATOM 2567 CG PRO A 296 153.917 164.382 204.913 1.00 0.00 0.024 C +ATOM 2568 CD PRO A 296 153.352 165.560 204.222 1.00 0.00 0.121 C +ATOM 2569 C GLY A 297 157.897 169.474 204.217 1.00 0.00 0.239 C +ATOM 2570 O GLY A 297 159.032 169.866 204.487 1.00 0.00 -0.273 OA +ATOM 2571 CA GLY A 297 157.680 168.176 203.465 1.00 0.00 0.216 C +ATOM 2572 N GLY A 297 156.529 167.451 203.969 1.00 0.00 -0.346 N +ATOM 2573 H GLY A 297 155.886 167.379 203.402 1.00 0.00 0.164 HD +ATOM 2574 C LEU A 298 157.307 171.044 206.770 1.00 0.00 0.243 C +ATOM 2575 O LEU A 298 158.178 171.712 207.329 1.00 0.00 -0.272 OA +ATOM 2576 CA LEU A 298 156.868 171.363 205.354 1.00 0.00 0.172 C +ATOM 2577 N LEU A 298 156.803 170.147 204.555 1.00 0.00 -0.345 N +ATOM 2578 CB LEU A 298 155.514 172.069 205.382 1.00 0.00 0.038 C +ATOM 2579 CG LEU A 298 155.085 172.754 204.087 1.00 0.00 -0.015 C +ATOM 2580 CD1 LEU A 298 153.645 173.211 204.195 1.00 0.00 0.007 C +ATOM 2581 CD2 LEU A 298 155.999 173.926 203.785 1.00 0.00 0.007 C +ATOM 2582 H LEU A 298 156.005 169.918 204.332 1.00 0.00 0.165 HD +ATOM 2583 C MET A 299 158.388 169.106 208.847 1.00 0.00 0.242 C +ATOM 2584 O MET A 299 158.971 169.160 209.928 1.00 0.00 -0.272 OA +ATOM 2585 CA MET A 299 156.956 169.614 208.711 1.00 0.00 0.172 C +ATOM 2586 N MET A 299 156.690 170.015 207.340 1.00 0.00 -0.344 N +ATOM 2587 CB MET A 299 155.951 168.544 209.152 1.00 0.00 0.046 C +ATOM 2588 CG MET A 299 155.941 168.246 210.645 1.00 0.00 0.072 C +ATOM 2589 SD MET A 299 155.616 169.671 211.707 1.00 0.00 -0.165 SA +ATOM 2590 CE MET A 299 154.061 170.265 211.059 1.00 0.00 0.085 C +ATOM 2591 H MET A 299 156.103 169.527 206.944 1.00 0.00 0.164 HD +ATOM 2592 C MET A 300 161.252 169.397 208.024 1.00 0.00 0.242 C +ATOM 2593 O MET A 300 162.116 169.326 208.898 1.00 0.00 -0.272 OA +ATOM 2594 CA MET A 300 160.352 168.207 207.722 1.00 0.00 0.172 C +ATOM 2595 N MET A 300 158.951 168.615 207.746 1.00 0.00 -0.344 N +ATOM 2596 CB MET A 300 160.728 167.607 206.365 1.00 0.00 0.046 C +ATOM 2597 CG MET A 300 162.186 167.144 206.268 1.00 0.00 0.072 C +ATOM 2598 SD MET A 300 162.758 166.926 204.571 1.00 0.00 -0.165 SA +ATOM 2599 CE MET A 300 162.833 168.627 204.014 1.00 0.00 0.085 C +ATOM 2600 H MET A 300 158.541 168.508 206.998 1.00 0.00 0.164 HD +ATOM 2601 C TYR A 301 161.546 172.352 208.830 1.00 0.00 0.243 C +ATOM 2602 O TYR A 301 162.438 172.922 209.455 1.00 0.00 -0.272 OA +ATOM 2603 CA TYR A 301 161.842 171.698 207.488 1.00 0.00 0.175 C +ATOM 2604 N TYR A 301 161.049 170.489 207.291 1.00 0.00 -0.343 N +ATOM 2605 CB TYR A 301 161.596 172.695 206.356 1.00 0.00 0.070 C +ATOM 2606 CG TYR A 301 162.479 172.469 205.155 1.00 0.00 -0.045 A +ATOM 2607 CD1 TYR A 301 163.853 172.641 205.245 1.00 0.00 0.007 A +ATOM 2608 CD2 TYR A 301 161.943 172.085 203.934 1.00 0.00 0.007 A +ATOM 2609 CE1 TYR A 301 164.668 172.434 204.155 1.00 0.00 0.046 A +ATOM 2610 CE2 TYR A 301 162.754 171.878 202.835 1.00 0.00 0.046 A +ATOM 2611 CZ TYR A 301 164.115 172.054 202.951 1.00 0.00 0.115 A +ATOM 2612 OH TYR A 301 164.929 171.849 201.864 1.00 0.00 -0.507 OA +ATOM 2613 HH TYR A 301 164.469 171.623 201.199 1.00 0.00 0.294 HD +ATOM 2614 H TYR A 301 160.456 170.555 206.671 1.00 0.00 0.164 HD +ATOM 2615 C ALA A 302 160.695 172.052 211.674 1.00 0.00 0.243 C +ATOM 2616 O ALA A 302 161.141 172.666 212.641 1.00 0.00 -0.272 OA +ATOM 2617 CA ALA A 302 159.911 172.773 210.582 1.00 0.00 0.168 C +ATOM 2618 N ALA A 302 160.294 172.272 209.269 1.00 0.00 -0.344 N +ATOM 2619 CB ALA A 302 158.418 172.605 210.803 1.00 0.00 0.041 C +ATOM 2620 H ALA A 302 159.645 171.929 208.821 1.00 0.00 0.164 HD +ATOM 2621 C THR A 303 163.086 170.257 212.439 1.00 0.00 0.245 C +ATOM 2622 O THR A 303 163.715 170.361 213.489 1.00 0.00 -0.273 OA +ATOM 2623 CA THR A 303 161.598 169.921 212.453 1.00 0.00 0.199 C +ATOM 2624 N THR A 303 160.859 170.744 211.503 1.00 0.00 -0.341 N +ATOM 2625 CB THR A 303 161.420 168.419 212.146 1.00 0.00 0.143 C +ATOM 2626 CG2 THR A 303 162.229 167.557 213.112 1.00 0.00 0.041 C +ATOM 2627 OG1 THR A 303 160.036 168.068 212.251 1.00 0.00 -0.389 OA +ATOM 2628 HG1 THR A 303 159.583 168.516 211.703 1.00 0.00 0.211 HD +ATOM 2629 H THR A 303 160.547 170.304 210.834 1.00 0.00 0.164 HD +ATOM 2630 C ILE A 304 165.413 172.056 211.729 1.00 0.00 0.243 C +ATOM 2631 O ILE A 304 166.431 172.183 212.408 1.00 0.00 -0.272 OA +ATOM 2632 CA ILE A 304 165.063 170.712 211.097 1.00 0.00 0.174 C +ATOM 2633 N ILE A 304 163.644 170.416 211.246 1.00 0.00 -0.343 N +ATOM 2634 CB ILE A 304 165.474 170.699 209.606 1.00 0.00 0.018 C +ATOM 2635 CG2 ILE A 304 166.878 171.285 209.410 1.00 0.00 0.010 C +ATOM 2636 CG1 ILE A 304 165.425 169.265 209.070 1.00 0.00 0.002 C +ATOM 2637 CD1 ILE A 304 165.532 169.154 207.565 1.00 0.00 0.004 C +ATOM 2638 H ILE A 304 163.219 170.358 210.500 1.00 0.00 0.164 HD +ATOM 2639 C TRP A 305 164.610 174.439 213.565 1.00 0.00 0.242 C +ATOM 2640 O TRP A 305 165.304 175.176 214.263 1.00 0.00 -0.272 OA +ATOM 2641 CA TRP A 305 164.821 174.391 212.055 1.00 0.00 0.175 C +ATOM 2642 N TRP A 305 164.568 173.058 211.513 1.00 0.00 -0.343 N +ATOM 2643 CB TRP A 305 163.932 175.429 211.373 1.00 0.00 0.072 C +ATOM 2644 CG TRP A 305 164.435 175.854 210.032 1.00 0.00 -0.020 A +ATOM 2645 CD1 TRP A 305 163.873 175.581 208.823 1.00 0.00 0.087 A +ATOM 2646 CD2 TRP A 305 165.610 176.626 209.762 1.00 0.00 0.003 A +ATOM 2647 NE1 TRP A 305 164.622 176.136 207.815 1.00 0.00 -0.359 N +ATOM 2648 CE2 TRP A 305 165.696 176.784 208.367 1.00 0.00 0.046 A +ATOM 2649 CE3 TRP A 305 166.599 177.199 210.566 1.00 0.00 0.010 A +ATOM 2650 HE1 TRP A 305 164.446 176.086 206.975 1.00 0.00 0.166 HD +ATOM 2651 CZ2 TRP A 305 166.728 177.492 207.760 1.00 0.00 0.026 A +ATOM 2652 CZ3 TRP A 305 167.622 177.901 209.963 1.00 0.00 0.001 A +ATOM 2653 CH2 TRP A 305 167.678 178.041 208.574 1.00 0.00 0.002 A +ATOM 2654 H TRP A 305 163.842 172.994 211.056 1.00 0.00 0.164 HD +ATOM 2655 C LEU A 306 164.679 172.954 216.163 1.00 0.00 0.243 C +ATOM 2656 O LEU A 306 165.112 173.399 217.225 1.00 0.00 -0.272 OA +ATOM 2657 CA LEU A 306 163.446 173.555 215.505 1.00 0.00 0.172 C +ATOM 2658 N LEU A 306 163.655 173.662 214.066 1.00 0.00 -0.345 N +ATOM 2659 CB LEU A 306 162.217 172.703 215.820 1.00 0.00 0.038 C +ATOM 2660 CG LEU A 306 161.913 172.512 217.309 1.00 0.00 -0.015 C +ATOM 2661 CD1 LEU A 306 161.408 173.800 217.919 1.00 0.00 0.007 C +ATOM 2662 CD2 LEU A 306 160.911 171.397 217.522 1.00 0.00 0.007 C +ATOM 2663 H LEU A 306 163.116 173.187 213.594 1.00 0.00 0.165 HD +ATOM 2664 C ARG A 307 167.602 172.323 215.983 1.00 0.00 0.242 C +ATOM 2665 O ARG A 307 168.379 172.407 216.930 1.00 0.00 -0.273 OA +ATOM 2666 CA ARG A 307 166.464 171.314 215.996 1.00 0.00 0.171 C +ATOM 2667 N ARG A 307 165.235 171.930 215.525 1.00 0.00 -0.344 N +ATOM 2668 CB ARG A 307 166.824 170.103 215.137 1.00 0.00 0.038 C +ATOM 2669 CG ARG A 307 165.924 168.900 215.353 1.00 0.00 0.040 C +ATOM 2670 CD ARG A 307 166.252 167.800 214.370 1.00 0.00 0.197 C +ATOM 2671 NE ARG A 307 165.309 166.691 214.442 1.00 0.00 -0.278 N +ATOM 2672 HE ARG A 307 164.602 166.795 214.921 1.00 0.00 0.260 HD +ATOM 2673 CZ ARG A 307 165.442 165.554 213.769 1.00 0.00 0.339 C +ATOM 2674 NH1 ARG A 307 166.485 165.368 212.970 1.00 0.00 -0.290 N +ATOM 2675 NH2 ARG A 307 164.532 164.598 213.895 1.00 0.00 -0.290 N +ATOM 2676 HH12 ARG A 307 167.077 165.986 212.886 1.00 0.00 0.256 HD +ATOM 2677 HH11 ARG A 307 166.569 164.630 212.536 1.00 0.00 0.256 HD +ATOM 2678 HH22 ARG A 307 163.854 164.715 214.413 1.00 0.00 0.256 HD +ATOM 2679 HH21 ARG A 307 164.618 163.861 213.460 1.00 0.00 0.256 HD +ATOM 2680 H ARG A 307 164.916 171.573 214.811 1.00 0.00 0.164 HD +ATOM 2681 C GLU A 308 168.624 175.132 215.902 1.00 0.00 0.242 C +ATOM 2682 O GLU A 308 169.632 175.551 216.467 1.00 0.00 -0.273 OA +ATOM 2683 CA GLU A 308 168.739 174.098 214.789 1.00 0.00 0.171 C +ATOM 2684 N GLU A 308 167.693 173.094 214.905 1.00 0.00 -0.344 N +ATOM 2685 CB GLU A 308 168.686 174.782 213.420 1.00 0.00 0.041 C +ATOM 2686 CG GLU A 308 169.727 175.883 213.224 1.00 0.00 0.055 C +ATOM 2687 CD GLU A 308 171.150 175.394 213.394 1.00 0.00 0.041 C +ATOM 2688 OE1 GLU A 308 171.380 174.169 213.320 1.00 0.00 -0.548 OA +ATOM 2689 OE2 GLU A 308 172.043 176.239 213.600 1.00 0.00 -0.549 OA +ATOM 2690 H GLU A 308 167.162 173.055 214.230 1.00 0.00 0.164 HD +ATOM 2691 C HIS A 309 167.752 176.009 218.622 1.00 0.00 0.242 C +ATOM 2692 O HIS A 309 168.460 176.733 219.322 1.00 0.00 -0.272 OA +ATOM 2693 CA HIS A 309 167.199 176.508 217.292 1.00 0.00 0.177 C +ATOM 2694 N HIS A 309 167.399 175.533 216.230 1.00 0.00 -0.343 N +ATOM 2695 CB HIS A 309 165.721 176.850 217.469 1.00 0.00 0.093 C +ATOM 2696 CG HIS A 309 165.467 177.768 218.621 1.00 0.00 0.061 A +ATOM 2697 ND1 HIS A 309 165.527 179.139 218.506 1.00 0.00 -0.242 NA +ATOM 2698 CD2 HIS A 309 165.210 177.510 219.924 1.00 0.00 0.107 A +ATOM 2699 CE1 HIS A 309 165.291 179.687 219.684 1.00 0.00 0.196 A +ATOM 2700 NE2 HIS A 309 165.095 178.720 220.561 1.00 0.00 -0.350 N +ATOM 2701 HE2 HIS A 309 164.922 178.830 221.396 1.00 0.00 0.167 HD +ATOM 2702 H HIS A 309 166.675 175.257 215.856 1.00 0.00 0.164 HD +ATOM 2703 C ASN A 310 169.327 173.834 220.236 1.00 0.00 0.242 C +ATOM 2704 O ASN A 310 169.955 173.760 221.291 1.00 0.00 -0.273 OA +ATOM 2705 CA ASN A 310 167.848 174.203 220.241 1.00 0.00 0.180 C +ATOM 2706 N ASN A 310 167.422 174.770 218.970 1.00 0.00 -0.342 N +ATOM 2707 CB ASN A 310 166.997 172.982 220.587 1.00 0.00 0.134 C +ATOM 2708 CG ASN A 310 165.576 173.354 220.967 1.00 0.00 0.220 C +ATOM 2709 OD1 ASN A 310 165.296 174.498 221.321 1.00 0.00 -0.275 OA +ATOM 2710 ND2 ASN A 310 164.671 172.386 220.901 1.00 0.00 -0.368 N +ATOM 2711 HD22 ASN A 310 163.851 172.548 221.106 1.00 0.00 0.159 HD +ATOM 2712 HD21 ASN A 310 164.903 171.596 220.652 1.00 0.00 0.159 HD +ATOM 2713 H ASN A 310 166.950 174.238 218.486 1.00 0.00 0.164 HD +ATOM 2714 C ARG A 311 172.067 174.701 219.215 1.00 0.00 0.242 C +ATOM 2715 O ARG A 311 173.056 174.708 219.944 1.00 0.00 -0.273 OA +ATOM 2716 CA ARG A 311 171.320 173.400 218.921 1.00 0.00 0.171 C +ATOM 2717 N ARG A 311 169.885 173.613 219.052 1.00 0.00 -0.344 N +ATOM 2718 CB ARG A 311 171.671 172.892 217.522 1.00 0.00 0.038 C +ATOM 2719 CG ARG A 311 173.101 172.387 217.384 1.00 0.00 0.040 C +ATOM 2720 CD ARG A 311 173.481 172.162 215.927 1.00 0.00 0.197 C +ATOM 2721 NE ARG A 311 173.587 173.425 215.200 1.00 0.00 -0.278 N +ATOM 2722 HE ARG A 311 172.889 173.704 214.781 1.00 0.00 0.260 HD +ATOM 2723 CZ ARG A 311 174.684 174.174 215.140 1.00 0.00 0.339 C +ATOM 2724 NH1 ARG A 311 174.673 175.310 214.456 1.00 0.00 -0.290 N +ATOM 2725 NH2 ARG A 311 175.795 173.794 215.760 1.00 0.00 -0.290 N +ATOM 2726 HH12 ARG A 311 173.957 175.561 214.051 1.00 0.00 0.256 HD +ATOM 2727 HH11 ARG A 311 175.383 175.794 214.414 1.00 0.00 0.256 HD +ATOM 2728 HH22 ARG A 311 175.808 173.059 216.207 1.00 0.00 0.256 HD +ATOM 2729 HH21 ARG A 311 176.501 174.283 215.716 1.00 0.00 0.256 HD +ATOM 2730 H ARG A 311 169.454 173.582 218.308 1.00 0.00 0.164 HD +ATOM 2731 C VAL A 312 172.091 177.516 220.314 1.00 0.00 0.243 C +ATOM 2732 O VAL A 312 173.006 178.129 220.862 1.00 0.00 -0.272 OA +ATOM 2733 CA VAL A 312 172.205 177.105 218.852 1.00 0.00 0.173 C +ATOM 2734 N VAL A 312 171.585 175.801 218.644 1.00 0.00 -0.343 N +ATOM 2735 CB VAL A 312 171.570 178.185 217.947 1.00 0.00 0.015 C +ATOM 2736 CG1 VAL A 312 172.044 179.587 218.339 1.00 0.00 0.010 C +ATOM 2737 CG2 VAL A 312 171.900 177.907 216.491 1.00 0.00 0.010 C +ATOM 2738 H VAL A 312 170.896 175.819 218.130 1.00 0.00 0.164 HD +ATOM 2739 C CYS A 313 171.936 176.769 223.156 1.00 0.00 0.243 C +ATOM 2740 O CYS A 313 172.524 177.396 224.037 1.00 0.00 -0.272 OA +ATOM 2741 CA CYS A 313 170.797 177.417 222.368 1.00 0.00 0.181 C +ATOM 2742 N CYS A 313 170.968 177.183 220.940 1.00 0.00 -0.342 N +ATOM 2743 CB CYS A 313 169.449 176.876 222.849 1.00 0.00 0.101 C +ATOM 2744 SG CYS A 313 168.038 177.974 222.556 1.00 0.00 -0.177 SA +ATOM 2745 HG CYS A 313 167.936 178.173 221.377 1.00 0.00 0.102 HD +ATOM 2746 H CYS A 313 170.288 176.820 220.559 1.00 0.00 0.164 HD +ATOM 2747 C ASP A 314 174.670 175.479 223.290 1.00 0.00 0.242 C +ATOM 2748 O ASP A 314 175.466 175.584 224.223 1.00 0.00 -0.273 OA +ATOM 2749 CA ASP A 314 173.321 174.795 223.497 1.00 0.00 0.176 C +ATOM 2750 N ASP A 314 172.248 175.519 222.827 1.00 0.00 -0.343 N +ATOM 2751 CB ASP A 314 173.392 173.348 223.000 1.00 0.00 0.087 C +ATOM 2752 CG ASP A 314 172.242 172.495 223.506 1.00 0.00 0.044 C +ATOM 2753 OD1 ASP A 314 171.707 172.786 224.595 1.00 0.00 -0.548 OA +ATOM 2754 OD2 ASP A 314 171.880 171.524 222.809 1.00 0.00 -0.549 OA +ATOM 2755 H ASP A 314 171.850 175.065 222.214 1.00 0.00 0.164 HD +ATOM 2756 C VAL A 315 176.304 177.901 222.590 1.00 0.00 0.243 C +ATOM 2757 O VAL A 315 177.364 178.176 223.152 1.00 0.00 -0.272 OA +ATOM 2758 CA VAL A 315 176.173 176.629 221.761 1.00 0.00 0.173 C +ATOM 2759 N VAL A 315 174.926 175.937 222.069 1.00 0.00 -0.343 N +ATOM 2760 CB VAL A 315 176.273 176.987 220.258 1.00 0.00 0.015 C +ATOM 2761 CG1 VAL A 315 177.471 177.906 219.987 1.00 0.00 0.010 C +ATOM 2762 CG2 VAL A 315 176.377 175.726 219.418 1.00 0.00 0.010 C +ATOM 2763 H VAL A 315 174.392 175.860 221.399 1.00 0.00 0.164 HD +ATOM 2764 C LEU A 316 175.381 179.752 224.879 1.00 0.00 0.243 C +ATOM 2765 O LEU A 316 175.990 180.573 225.562 1.00 0.00 -0.272 OA +ATOM 2766 CA LEU A 316 175.248 179.949 223.374 1.00 0.00 0.172 C +ATOM 2767 N LEU A 316 175.226 178.675 222.662 1.00 0.00 -0.345 N +ATOM 2768 CB LEU A 316 173.987 180.761 223.067 1.00 0.00 0.038 C +ATOM 2769 CG LEU A 316 173.878 181.350 221.659 1.00 0.00 -0.015 C +ATOM 2770 CD1 LEU A 316 172.520 182.010 221.472 1.00 0.00 0.007 C +ATOM 2771 CD2 LEU A 316 174.995 182.347 221.397 1.00 0.00 0.007 C +ATOM 2772 H LEU A 316 174.467 178.486 222.305 1.00 0.00 0.165 HD +ATOM 2773 C LYS A 317 176.343 178.119 227.221 1.00 0.00 0.242 C +ATOM 2774 O LYS A 317 176.788 178.502 228.302 1.00 0.00 -0.273 OA +ATOM 2775 CA LYS A 317 174.899 178.395 226.826 1.00 0.00 0.171 C +ATOM 2776 N LYS A 317 174.809 178.671 225.398 1.00 0.00 -0.344 N +ATOM 2777 CB LYS A 317 174.016 177.213 227.214 1.00 0.00 0.035 C +ATOM 2778 CG LYS A 317 174.061 176.911 228.699 1.00 0.00 0.008 C +ATOM 2779 CD LYS A 317 172.887 176.067 229.155 1.00 0.00 0.061 C +ATOM 2780 CE LYS A 317 172.504 176.411 230.584 1.00 0.00 0.258 C +ATOM 2781 NZ LYS A 317 171.722 177.673 230.651 1.00 0.00 -0.357 N +ATOM 2782 HZ1 LYS A 317 171.509 177.854 231.496 1.00 0.00 0.345 HD +ATOM 2783 HZ2 LYS A 317 172.202 178.346 230.323 1.00 0.00 0.345 HD +ATOM 2784 HZ3 LYS A 317 170.974 177.592 230.175 1.00 0.00 0.345 HD +ATOM 2785 H LYS A 317 174.366 178.087 224.949 1.00 0.00 0.164 HD +ATOM 2786 C GLN A 318 179.261 178.522 226.538 1.00 0.00 0.242 C +ATOM 2787 O GLN A 318 180.142 178.743 227.366 1.00 0.00 -0.273 OA +ATOM 2788 CA GLN A 318 178.491 177.204 226.547 1.00 0.00 0.171 C +ATOM 2789 N GLN A 318 177.073 177.453 226.335 1.00 0.00 -0.343 N +ATOM 2790 CB GLN A 318 179.034 176.260 225.474 1.00 0.00 0.045 C +ATOM 2791 CG GLN A 318 180.444 175.768 225.735 1.00 0.00 0.102 C +ATOM 2792 CD GLN A 318 180.904 174.757 224.706 1.00 0.00 0.217 C +ATOM 2793 OE1 GLN A 318 180.392 174.715 223.587 1.00 0.00 -0.275 OA +ATOM 2794 NE2 GLN A 318 181.873 173.931 225.081 1.00 0.00 -0.368 N +ATOM 2795 HE22 GLN A 318 182.205 173.989 225.873 1.00 0.00 0.159 HD +ATOM 2796 HE21 GLN A 318 182.170 173.339 224.533 1.00 0.00 0.159 HD +ATOM 2797 H GLN A 318 176.768 177.132 225.597 1.00 0.00 0.164 HD +ATOM 2798 C GLU A 319 179.119 181.634 226.617 1.00 0.00 0.242 C +ATOM 2799 O GLU A 319 179.852 182.553 226.978 1.00 0.00 -0.273 OA +ATOM 2800 CA GLU A 319 179.540 180.706 225.486 1.00 0.00 0.171 C +ATOM 2801 N GLU A 319 178.912 179.395 225.599 1.00 0.00 -0.344 N +ATOM 2802 CB GLU A 319 179.187 181.354 224.145 1.00 0.00 0.041 C +ATOM 2803 CG GLU A 319 179.747 180.635 222.933 1.00 0.00 0.055 C +ATOM 2804 CD GLU A 319 181.258 180.690 222.872 1.00 0.00 0.041 C +ATOM 2805 OE1 GLU A 319 181.815 181.804 222.959 1.00 0.00 -0.548 OA +ATOM 2806 OE2 GLU A 319 181.886 179.619 222.741 1.00 0.00 -0.549 OA +ATOM 2807 H GLU A 319 178.305 179.250 225.008 1.00 0.00 0.164 HD +ATOM 2808 C HIS A 320 176.589 181.526 229.239 1.00 0.00 0.242 C +ATOM 2809 O HIS A 320 175.359 181.517 229.239 1.00 0.00 -0.273 OA +ATOM 2810 CA HIS A 320 177.355 182.290 228.165 1.00 0.00 0.179 C +ATOM 2811 N HIS A 320 177.931 181.398 227.165 1.00 0.00 -0.343 N +ATOM 2812 CB HIS A 320 176.427 183.305 227.497 1.00 0.00 0.119 C +ATOM 2813 CG HIS A 320 177.111 184.188 226.501 1.00 0.00 0.142 A +ATOM 2814 ND1 HIS A 320 177.877 185.272 226.871 1.00 0.00 -0.248 N +ATOM 2815 CD2 HIS A 320 177.144 184.148 225.148 1.00 0.00 0.244 A +ATOM 2816 HD1 HIS A 320 178.023 185.525 227.680 1.00 0.00 0.312 HD +ATOM 2817 CE1 HIS A 320 178.353 185.861 225.789 1.00 0.00 0.400 A +ATOM 2818 NE2 HIS A 320 177.923 185.199 224.731 1.00 0.00 -0.250 N +ATOM 2819 HE2 HIS A 320 178.102 185.394 223.913 1.00 0.00 0.312 HD +ATOM 2820 H HIS A 320 177.435 180.722 226.972 1.00 0.00 0.164 HD +ATOM 2821 C PRO A 321 175.909 181.165 232.202 1.00 0.00 0.243 C +ATOM 2822 O PRO A 321 175.070 180.736 232.991 1.00 0.00 -0.271 OA +ATOM 2823 CA PRO A 321 176.654 180.199 231.283 1.00 0.00 0.175 C +ATOM 2824 N PRO A 321 177.314 180.880 230.163 1.00 0.00 -0.329 N +ATOM 2825 CB PRO A 321 177.818 179.524 232.021 1.00 0.00 0.037 C +ATOM 2826 CG PRO A 321 179.045 180.240 231.568 1.00 0.00 0.024 C +ATOM 2827 CD PRO A 321 178.772 180.672 230.169 1.00 0.00 0.121 C +ATOM 2828 C GLU A 322 174.240 183.951 232.341 1.00 0.00 0.242 C +ATOM 2829 O GLU A 322 173.469 184.619 233.025 1.00 0.00 -0.273 OA +ATOM 2830 CA GLU A 322 175.572 183.470 232.920 1.00 0.00 0.171 C +ATOM 2831 N GLU A 322 176.211 182.455 232.089 1.00 0.00 -0.344 N +ATOM 2832 CB GLU A 322 176.510 184.670 233.118 1.00 0.00 0.041 C +ATOM 2833 CG GLU A 322 176.678 185.595 231.900 1.00 0.00 0.055 C +ATOM 2834 CD GLU A 322 177.563 185.007 230.816 1.00 0.00 0.041 C +ATOM 2835 OE1 GLU A 322 178.027 183.856 230.974 1.00 0.00 -0.548 OA +ATOM 2836 OE2 GLU A 322 177.796 185.701 229.803 1.00 0.00 -0.549 OA +ATOM 2837 H GLU A 322 176.787 182.770 231.533 1.00 0.00 0.164 HD +ATOM 2838 C TRP A 323 171.513 183.361 230.922 1.00 0.00 0.242 C +ATOM 2839 O TRP A 323 171.564 182.193 231.302 1.00 0.00 -0.272 OA +ATOM 2840 CA TRP A 323 172.757 184.075 230.413 1.00 0.00 0.175 C +ATOM 2841 N TRP A 323 173.975 183.619 231.081 1.00 0.00 -0.343 N +ATOM 2842 CB TRP A 323 172.861 183.872 228.899 1.00 0.00 0.072 C +ATOM 2843 CG TRP A 323 173.574 184.969 228.173 1.00 0.00 -0.020 A +ATOM 2844 CD1 TRP A 323 174.293 185.988 228.723 1.00 0.00 0.087 A +ATOM 2845 CD2 TRP A 323 173.632 185.156 226.756 1.00 0.00 0.003 A +ATOM 2846 NE1 TRP A 323 174.797 186.798 227.735 1.00 0.00 -0.359 N +ATOM 2847 CE2 TRP A 323 174.404 186.308 226.518 1.00 0.00 0.046 A +ATOM 2848 CE3 TRP A 323 173.104 184.460 225.664 1.00 0.00 0.010 A +ATOM 2849 HE1 TRP A 323 175.280 187.498 227.861 1.00 0.00 0.166 HD +ATOM 2850 CZ2 TRP A 323 174.662 186.779 225.234 1.00 0.00 0.026 A +ATOM 2851 CZ3 TRP A 323 173.361 184.929 224.393 1.00 0.00 0.001 A +ATOM 2852 CH2 TRP A 323 174.133 186.076 224.188 1.00 0.00 0.002 A +ATOM 2853 H TRP A 323 174.484 183.131 230.589 1.00 0.00 0.164 HD +ATOM 2854 C GLY A 324 168.389 182.974 230.052 1.00 0.00 0.239 C +ATOM 2855 O GLY A 324 168.834 183.174 228.923 1.00 0.00 -0.273 OA +ATOM 2856 CA GLY A 324 169.113 183.507 231.272 1.00 0.00 0.216 C +ATOM 2857 N GLY A 324 170.395 184.077 230.910 1.00 0.00 -0.346 N +ATOM 2858 H GLY A 324 170.356 184.907 230.691 1.00 0.00 0.164 HD +ATOM 2859 C ASP A 325 166.046 182.706 228.153 1.00 0.00 0.242 C +ATOM 2860 O ASP A 325 166.102 182.413 226.960 1.00 0.00 -0.273 OA +ATOM 2861 CA ASP A 325 166.471 181.698 229.225 1.00 0.00 0.176 C +ATOM 2862 N ASP A 325 167.270 182.298 230.288 1.00 0.00 -0.343 N +ATOM 2863 CB ASP A 325 165.231 181.030 229.831 1.00 0.00 0.087 C +ATOM 2864 CG ASP A 325 164.163 180.734 228.800 1.00 0.00 0.044 C +ATOM 2865 OD1 ASP A 325 164.300 179.733 228.068 1.00 0.00 -0.548 OA +ATOM 2866 OD2 ASP A 325 163.177 181.498 228.728 1.00 0.00 -0.549 OA +ATOM 2867 H ASP A 325 166.945 182.170 231.074 1.00 0.00 0.164 HD +ATOM 2868 C GLU A 326 166.152 185.333 226.639 1.00 0.00 0.242 C +ATOM 2869 O GLU A 326 165.896 185.360 225.437 1.00 0.00 -0.273 OA +ATOM 2870 CA GLU A 326 165.094 184.879 227.644 1.00 0.00 0.171 C +ATOM 2871 N GLU A 326 165.622 183.891 228.576 1.00 0.00 -0.344 N +ATOM 2872 CB GLU A 326 164.541 186.088 228.403 1.00 0.00 0.041 C +ATOM 2873 CG GLU A 326 163.879 187.141 227.517 1.00 0.00 0.055 C +ATOM 2874 CD GLU A 326 162.629 186.637 226.827 1.00 0.00 0.041 C +ATOM 2875 OE1 GLU A 326 162.095 185.585 227.237 1.00 0.00 -0.548 OA +ATOM 2876 OE2 GLU A 326 162.178 187.298 225.872 1.00 0.00 -0.549 OA +ATOM 2877 H GLU A 326 165.629 184.147 229.397 1.00 0.00 0.164 HD +ATOM 2878 C GLN A 327 168.915 185.017 225.358 1.00 0.00 0.242 C +ATOM 2879 O GLN A 327 169.282 185.253 224.208 1.00 0.00 -0.273 OA +ATOM 2880 CA GLN A 327 168.404 186.145 226.253 1.00 0.00 0.171 C +ATOM 2881 N GLN A 327 167.337 185.683 227.128 1.00 0.00 -0.343 N +ATOM 2882 CB GLN A 327 169.557 186.737 227.068 1.00 0.00 0.045 C +ATOM 2883 CG GLN A 327 170.677 187.289 226.205 1.00 0.00 0.102 C +ATOM 2884 CD GLN A 327 171.565 188.270 226.939 1.00 0.00 0.217 C +ATOM 2885 OE1 GLN A 327 171.556 188.339 228.166 1.00 0.00 -0.275 OA +ATOM 2886 NE2 GLN A 327 172.335 189.043 226.186 1.00 0.00 -0.368 N +ATOM 2887 HE22 GLN A 327 172.311 188.969 225.330 1.00 0.00 0.159 HD +ATOM 2888 HE21 GLN A 327 172.858 189.617 226.554 1.00 0.00 0.159 HD +ATOM 2889 H GLN A 327 167.546 185.661 227.962 1.00 0.00 0.164 HD +ATOM 2890 C LEU A 328 168.385 182.422 223.931 1.00 0.00 0.243 C +ATOM 2891 O LEU A 328 168.810 182.125 222.815 1.00 0.00 -0.272 OA +ATOM 2892 CA LEU A 328 169.344 182.636 225.100 1.00 0.00 0.172 C +ATOM 2893 N LEU A 328 168.939 183.798 225.886 1.00 0.00 -0.345 N +ATOM 2894 CB LEU A 328 169.398 181.376 225.971 1.00 0.00 0.038 C +ATOM 2895 CG LEU A 328 170.630 181.183 226.861 1.00 0.00 -0.015 C +ATOM 2896 CD1 LEU A 328 170.369 180.103 227.898 1.00 0.00 0.007 C +ATOM 2897 CD2 LEU A 328 171.857 180.829 226.037 1.00 0.00 0.007 C +ATOM 2898 H LEU A 328 168.725 183.616 226.699 1.00 0.00 0.165 HD +ATOM 2899 C PHE A 329 166.161 183.488 222.088 1.00 0.00 0.243 C +ATOM 2900 O PHE A 329 166.136 183.198 220.891 1.00 0.00 -0.272 OA +ATOM 2901 CA PHE A 329 166.085 182.396 223.153 1.00 0.00 0.175 C +ATOM 2902 N PHE A 329 167.091 182.574 224.192 1.00 0.00 -0.343 N +ATOM 2903 CB PHE A 329 164.677 182.378 223.747 1.00 0.00 0.070 C +ATOM 2904 CG PHE A 329 163.601 182.564 222.720 1.00 0.00 -0.045 A +ATOM 2905 CD1 PHE A 329 163.161 181.494 221.960 1.00 0.00 0.004 A +ATOM 2906 CD2 PHE A 329 163.051 183.814 222.489 1.00 0.00 0.004 A +ATOM 2907 CE1 PHE A 329 162.182 181.666 221.002 1.00 0.00 0.000 A +ATOM 2908 CE2 PHE A 329 162.074 183.991 221.531 1.00 0.00 0.000 A +ATOM 2909 CZ PHE A 329 161.638 182.919 220.787 1.00 0.00 0.000 A +ATOM 2910 H PHE A 329 166.769 182.779 224.963 1.00 0.00 0.164 HD +ATOM 2911 C GLN A 330 167.479 185.845 220.718 1.00 0.00 0.242 C +ATOM 2912 O GLN A 330 167.389 186.037 219.507 1.00 0.00 -0.273 OA +ATOM 2913 CA GLN A 330 166.236 185.869 221.605 1.00 0.00 0.171 C +ATOM 2914 N GLN A 330 166.235 184.740 222.528 1.00 0.00 -0.343 N +ATOM 2915 CB GLN A 330 166.158 187.196 222.366 1.00 0.00 0.045 C +ATOM 2916 CG GLN A 330 164.874 187.400 223.168 1.00 0.00 0.102 C +ATOM 2917 CD GLN A 330 163.634 187.556 222.304 1.00 0.00 0.217 C +ATOM 2918 OE1 GLN A 330 163.719 187.775 221.098 1.00 0.00 -0.275 OA +ATOM 2919 NE2 GLN A 330 162.470 187.444 222.927 1.00 0.00 -0.368 N +ATOM 2920 HE22 GLN A 330 162.448 187.291 223.773 1.00 0.00 0.159 HD +ATOM 2921 HE21 GLN A 330 161.736 187.523 222.485 1.00 0.00 0.159 HD +ATOM 2922 H GLN A 330 166.286 184.963 223.357 1.00 0.00 0.164 HD +ATOM 2923 C THR A 331 169.913 184.464 219.563 1.00 0.00 0.245 C +ATOM 2924 O THR A 331 170.453 184.607 218.470 1.00 0.00 -0.273 OA +ATOM 2925 CA THR A 331 169.887 185.611 220.569 1.00 0.00 0.199 C +ATOM 2926 N THR A 331 168.637 185.598 221.319 1.00 0.00 -0.341 N +ATOM 2927 CB THR A 331 171.107 185.520 221.503 1.00 0.00 0.143 C +ATOM 2928 CG2 THR A 331 172.406 185.628 220.711 1.00 0.00 0.041 C +ATOM 2929 OG1 THR A 331 171.055 186.585 222.458 1.00 0.00 -0.389 OA +ATOM 2930 HG1 THR A 331 170.352 186.528 222.914 1.00 0.00 0.211 HD +ATOM 2931 H THR A 331 168.727 185.422 222.156 1.00 0.00 0.164 HD +ATOM 2932 C SER A 332 168.340 182.542 217.811 1.00 0.00 0.244 C +ATOM 2933 O SER A 332 168.668 182.195 216.678 1.00 0.00 -0.272 OA +ATOM 2934 CA SER A 332 169.213 182.200 219.010 1.00 0.00 0.197 C +ATOM 2935 N SER A 332 169.312 183.333 219.924 1.00 0.00 -0.342 N +ATOM 2936 CB SER A 332 168.652 180.971 219.723 1.00 0.00 0.191 C +ATOM 2937 OG SER A 332 169.562 180.482 220.689 1.00 0.00 -0.392 OA +ATOM 2938 HG SER A 332 169.715 181.075 221.265 1.00 0.00 0.210 HD +ATOM 2939 H SER A 332 168.954 183.197 220.693 1.00 0.00 0.164 HD +ATOM 2940 C ARG A 333 167.012 184.529 215.999 1.00 0.00 0.242 C +ATOM 2941 O ARG A 333 166.841 184.374 214.795 1.00 0.00 -0.273 OA +ATOM 2942 CA ARG A 333 166.315 183.620 217.004 1.00 0.00 0.171 C +ATOM 2943 N ARG A 333 167.226 183.221 218.066 1.00 0.00 -0.344 N +ATOM 2944 CB ARG A 333 165.085 184.321 217.579 1.00 0.00 0.038 C +ATOM 2945 CG ARG A 333 164.157 184.892 216.520 1.00 0.00 0.040 C +ATOM 2946 CD ARG A 333 162.849 185.359 217.111 1.00 0.00 0.197 C +ATOM 2947 NE ARG A 333 161.850 185.593 216.077 1.00 0.00 -0.278 N +ATOM 2948 HE ARG A 333 162.111 185.587 215.257 1.00 0.00 0.260 HD +ATOM 2949 CZ ARG A 333 160.563 185.815 216.316 1.00 0.00 0.339 C +ATOM 2950 NH1 ARG A 333 160.105 185.836 217.562 1.00 0.00 -0.290 N +ATOM 2951 NH2 ARG A 333 159.730 186.014 215.306 1.00 0.00 -0.290 N +ATOM 2952 HH12 ARG A 333 160.643 185.706 218.220 1.00 0.00 0.256 HD +ATOM 2953 HH11 ARG A 333 159.270 185.980 217.711 1.00 0.00 0.256 HD +ATOM 2954 HH22 ARG A 333 160.024 186.001 214.498 1.00 0.00 0.256 HD +ATOM 2955 HH21 ARG A 333 158.897 186.159 215.458 1.00 0.00 0.256 HD +ATOM 2956 H ARG A 333 166.975 183.463 218.852 1.00 0.00 0.164 HD +ATOM 2957 C LEU A 334 169.594 185.641 214.816 1.00 0.00 0.243 C +ATOM 2958 O LEU A 334 169.843 185.985 213.661 1.00 0.00 -0.272 OA +ATOM 2959 CA LEU A 334 168.541 186.381 215.635 1.00 0.00 0.172 C +ATOM 2960 N LEU A 334 167.799 185.473 216.500 1.00 0.00 -0.345 N +ATOM 2961 CB LEU A 334 169.201 187.483 216.462 1.00 0.00 0.038 C +ATOM 2962 CG LEU A 334 168.267 188.478 217.162 1.00 0.00 -0.015 C +ATOM 2963 CD1 LEU A 334 169.083 189.525 217.897 1.00 0.00 0.007 C +ATOM 2964 CD2 LEU A 334 167.311 189.143 216.180 1.00 0.00 0.007 C +ATOM 2965 H LEU A 334 167.920 185.609 217.340 1.00 0.00 0.165 HD +ATOM 2966 C ILE A 335 170.497 183.017 213.607 1.00 0.00 0.243 C +ATOM 2967 O ILE A 335 170.985 182.950 212.481 1.00 0.00 -0.272 OA +ATOM 2968 CA ILE A 335 171.191 183.817 214.708 1.00 0.00 0.174 C +ATOM 2969 N ILE A 335 170.210 184.627 215.413 1.00 0.00 -0.343 N +ATOM 2970 CB ILE A 335 171.949 182.881 215.683 1.00 0.00 0.018 C +ATOM 2971 CG2 ILE A 335 172.699 181.775 214.929 1.00 0.00 0.010 C +ATOM 2972 CG1 ILE A 335 172.944 183.701 216.511 1.00 0.00 0.002 C +ATOM 2973 CD1 ILE A 335 173.609 182.936 217.639 1.00 0.00 0.004 C +ATOM 2974 H ILE A 335 170.076 184.388 216.229 1.00 0.00 0.164 HD +ATOM 2975 C LEU A 336 168.063 182.492 211.810 1.00 0.00 0.243 C +ATOM 2976 O LEU A 336 167.910 182.007 210.692 1.00 0.00 -0.272 OA +ATOM 2977 CA LEU A 336 168.608 181.635 212.951 1.00 0.00 0.172 C +ATOM 2978 N LEU A 336 169.346 182.433 213.924 1.00 0.00 -0.345 N +ATOM 2979 CB LEU A 336 167.463 180.873 213.628 1.00 0.00 0.038 C +ATOM 2980 CG LEU A 336 167.758 179.394 213.891 1.00 0.00 -0.015 C +ATOM 2981 CD1 LEU A 336 168.805 179.243 214.982 1.00 0.00 0.007 C +ATOM 2982 CD2 LEU A 336 166.492 178.631 214.241 1.00 0.00 0.007 C +ATOM 2983 H LEU A 336 168.971 182.483 214.696 1.00 0.00 0.165 HD +ATOM 2984 C ILE A 337 168.576 184.930 210.134 1.00 0.00 0.243 C +ATOM 2985 O ILE A 337 168.447 184.977 208.911 1.00 0.00 -0.272 OA +ATOM 2986 CA ILE A 337 167.371 184.689 211.041 1.00 0.00 0.174 C +ATOM 2987 N ILE A 337 167.764 183.758 212.091 1.00 0.00 -0.343 N +ATOM 2988 CB ILE A 337 166.845 186.026 211.618 1.00 0.00 0.018 C +ATOM 2989 CG2 ILE A 337 166.749 187.104 210.522 1.00 0.00 0.010 C +ATOM 2990 CG1 ILE A 337 165.465 185.818 212.247 1.00 0.00 0.002 C +ATOM 2991 CD1 ILE A 337 164.944 187.010 213.019 1.00 0.00 0.004 C +ATOM 2992 H ILE A 337 167.780 184.100 212.880 1.00 0.00 0.164 HD +ATOM 2993 C GLY A 338 171.258 184.007 209.121 1.00 0.00 0.239 C +ATOM 2994 O GLY A 338 171.600 184.153 207.949 1.00 0.00 -0.273 OA +ATOM 2995 CA GLY A 338 170.981 185.216 209.995 1.00 0.00 0.216 C +ATOM 2996 N GLY A 338 169.747 185.072 210.744 1.00 0.00 -0.346 N +ATOM 2997 H GLY A 338 169.851 185.089 211.597 1.00 0.00 0.164 HD +ATOM 2998 C GLU A 339 170.359 181.485 207.747 1.00 0.00 0.242 C +ATOM 2999 O GLU A 339 170.756 181.051 206.668 1.00 0.00 -0.273 OA +ATOM 3000 CA GLU A 339 171.299 181.573 208.941 1.00 0.00 0.171 C +ATOM 3001 N GLU A 339 171.110 182.813 209.690 1.00 0.00 -0.344 N +ATOM 3002 CB GLU A 339 171.076 180.352 209.833 1.00 0.00 0.041 C +ATOM 3003 CG GLU A 339 172.098 180.170 210.937 1.00 0.00 0.055 C +ATOM 3004 CD GLU A 339 171.892 178.880 211.699 1.00 0.00 0.041 C +ATOM 3005 OE1 GLU A 339 171.518 177.871 211.070 1.00 0.00 -0.548 OA +ATOM 3006 OE2 GLU A 339 172.094 178.876 212.929 1.00 0.00 -0.549 OA +ATOM 3007 H GLU A 339 170.900 182.693 210.515 1.00 0.00 0.164 HD +ATOM 3008 C THR A 340 168.451 182.659 205.726 1.00 0.00 0.245 C +ATOM 3009 O THR A 340 168.422 182.201 204.591 1.00 0.00 -0.273 OA +ATOM 3010 CA THR A 340 168.089 181.787 206.918 1.00 0.00 0.199 C +ATOM 3011 N THR A 340 169.109 181.887 207.954 1.00 0.00 -0.341 N +ATOM 3012 CB THR A 340 166.692 182.192 207.452 1.00 0.00 0.143 C +ATOM 3013 CG2 THR A 340 165.634 182.072 206.363 1.00 0.00 0.041 C +ATOM 3014 OG1 THR A 340 166.329 181.343 208.546 1.00 0.00 -0.389 OA +ATOM 3015 HG1 THR A 340 166.892 181.416 209.166 1.00 0.00 0.211 HD +ATOM 3016 H THR A 340 168.826 182.225 208.693 1.00 0.00 0.164 HD +ATOM 3017 C ILE A 341 170.416 184.385 204.199 1.00 0.00 0.243 C +ATOM 3018 O ILE A 341 170.498 184.454 202.973 1.00 0.00 -0.272 OA +ATOM 3019 CA ILE A 341 169.150 184.848 204.923 1.00 0.00 0.174 C +ATOM 3020 N ILE A 341 168.798 183.915 205.988 1.00 0.00 -0.343 N +ATOM 3021 CB ILE A 341 169.350 186.276 205.471 1.00 0.00 0.018 C +ATOM 3022 CG2 ILE A 341 169.772 187.229 204.358 1.00 0.00 0.010 C +ATOM 3023 CG1 ILE A 341 168.054 186.774 206.120 1.00 0.00 0.002 C +ATOM 3024 CD1 ILE A 341 168.206 188.053 206.916 1.00 0.00 0.004 C +ATOM 3025 H ILE A 341 168.837 184.253 206.777 1.00 0.00 0.164 HD +ATOM 3026 C LYS A 342 172.323 182.217 203.435 1.00 0.00 0.242 C +ATOM 3027 O LYS A 342 172.805 182.209 202.303 1.00 0.00 -0.273 OA +ATOM 3028 CA LYS A 342 172.621 183.354 204.409 1.00 0.00 0.171 C +ATOM 3029 N LYS A 342 171.394 183.915 204.965 1.00 0.00 -0.344 N +ATOM 3030 CB LYS A 342 173.522 182.848 205.537 1.00 0.00 0.035 C +ATOM 3031 CG LYS A 342 174.771 182.091 205.087 1.00 0.00 0.008 C +ATOM 3032 CD LYS A 342 175.813 183.023 204.508 1.00 0.00 0.061 C +ATOM 3033 CE LYS A 342 177.127 182.296 204.294 1.00 0.00 0.258 C +ATOM 3034 NZ LYS A 342 178.222 183.215 203.872 1.00 0.00 -0.357 N +ATOM 3035 HZ1 LYS A 342 178.976 182.757 203.756 1.00 0.00 0.345 HD +ATOM 3036 HZ2 LYS A 342 178.005 183.615 203.107 1.00 0.00 0.345 HD +ATOM 3037 HZ3 LYS A 342 178.354 183.837 204.495 1.00 0.00 0.345 HD +ATOM 3038 H LYS A 342 171.371 183.911 205.825 1.00 0.00 0.164 HD +ATOM 3039 C ILE A 343 170.378 180.429 201.875 1.00 0.00 0.243 C +ATOM 3040 O ILE A 343 170.618 179.905 200.789 1.00 0.00 -0.272 OA +ATOM 3041 CA ILE A 343 171.210 180.076 203.102 1.00 0.00 0.174 C +ATOM 3042 N ILE A 343 171.527 181.257 203.893 1.00 0.00 -0.343 N +ATOM 3043 CB ILE A 343 170.474 179.023 203.964 1.00 0.00 0.018 C +ATOM 3044 CG2 ILE A 343 169.757 177.987 203.094 1.00 0.00 0.010 C +ATOM 3045 CG1 ILE A 343 171.488 178.321 204.871 1.00 0.00 0.002 C +ATOM 3046 CD1 ILE A 343 170.880 177.458 205.952 1.00 0.00 0.004 C +ATOM 3047 H ILE A 343 171.154 181.267 204.668 1.00 0.00 0.164 HD +ATOM 3048 C VAL A 344 169.372 182.333 199.800 1.00 0.00 0.243 C +ATOM 3049 O VAL A 344 169.199 182.003 198.635 1.00 0.00 -0.272 OA +ATOM 3050 CA VAL A 344 168.547 181.701 200.923 1.00 0.00 0.173 C +ATOM 3051 N VAL A 344 169.405 181.316 202.040 1.00 0.00 -0.343 N +ATOM 3052 CB VAL A 344 167.431 182.671 201.374 1.00 0.00 0.015 C +ATOM 3053 CG1 VAL A 344 166.759 183.350 200.173 1.00 0.00 0.010 C +ATOM 3054 CG2 VAL A 344 166.398 181.921 202.195 1.00 0.00 0.010 C +ATOM 3055 H VAL A 344 169.219 181.708 202.783 1.00 0.00 0.164 HD +ATOM 3056 C ILE A 345 172.107 183.022 198.482 1.00 0.00 0.243 C +ATOM 3057 O ILE A 345 172.214 182.994 197.256 1.00 0.00 -0.272 OA +ATOM 3058 CA ILE A 345 171.070 183.931 199.146 1.00 0.00 0.174 C +ATOM 3059 N ILE A 345 170.279 183.233 200.151 1.00 0.00 -0.343 N +ATOM 3060 CB ILE A 345 171.778 185.153 199.761 1.00 0.00 0.018 C +ATOM 3061 CG2 ILE A 345 172.914 185.652 198.855 1.00 0.00 0.010 C +ATOM 3062 CG1 ILE A 345 170.757 186.269 199.997 1.00 0.00 0.002 C +ATOM 3063 CD1 ILE A 345 171.291 187.465 200.762 1.00 0.00 0.004 C +ATOM 3064 H ILE A 345 170.456 183.459 200.962 1.00 0.00 0.164 HD +ATOM 3065 C GLU A 346 173.828 180.153 198.369 1.00 0.00 0.242 C +ATOM 3066 O GLU A 346 174.705 179.542 197.757 1.00 0.00 -0.273 OA +ATOM 3067 CA GLU A 346 174.057 181.605 198.792 1.00 0.00 0.171 C +ATOM 3068 N GLU A 346 172.859 182.279 199.287 1.00 0.00 -0.344 N +ATOM 3069 CB GLU A 346 175.159 181.667 199.852 1.00 0.00 0.041 C +ATOM 3070 CG GLU A 346 175.619 183.091 200.147 1.00 0.00 0.055 C +ATOM 3071 CD GLU A 346 176.926 183.159 200.920 1.00 0.00 0.041 C +ATOM 3072 OE1 GLU A 346 177.575 182.108 201.109 1.00 0.00 -0.548 OA +ATOM 3073 OE2 GLU A 346 177.310 184.272 201.340 1.00 0.00 -0.549 OA +ATOM 3074 H GLU A 346 172.699 182.149 200.121 1.00 0.00 0.164 HD +ATOM 3075 C ASP A 347 171.025 178.268 197.387 1.00 0.00 0.242 C +ATOM 3076 O ASP A 347 171.015 177.761 196.267 1.00 0.00 -0.273 OA +ATOM 3077 CA ASP A 347 172.292 178.257 198.233 1.00 0.00 0.176 C +ATOM 3078 N ASP A 347 172.657 179.604 198.681 1.00 0.00 -0.343 N +ATOM 3079 CB ASP A 347 172.099 177.320 199.427 1.00 0.00 0.087 C +ATOM 3080 CG ASP A 347 173.392 177.032 200.158 1.00 0.00 0.044 C +ATOM 3081 OD1 ASP A 347 174.403 176.722 199.493 1.00 0.00 -0.548 OA +ATOM 3082 OD2 ASP A 347 173.396 177.121 201.401 1.00 0.00 -0.549 OA +ATOM 3083 H ASP A 347 172.051 179.991 199.154 1.00 0.00 0.164 HD +ATOM 3084 C TYR A 348 168.606 179.701 196.035 1.00 0.00 0.243 C +ATOM 3085 O TYR A 348 168.340 179.205 194.945 1.00 0.00 -0.272 OA +ATOM 3086 CA TYR A 348 168.647 178.828 197.288 1.00 0.00 0.175 C +ATOM 3087 N TYR A 348 169.960 178.853 197.928 1.00 0.00 -0.343 N +ATOM 3088 CB TYR A 348 167.578 179.269 198.292 1.00 0.00 0.070 C +ATOM 3089 CG TYR A 348 166.175 179.391 197.750 1.00 0.00 -0.045 A +ATOM 3090 CD1 TYR A 348 165.367 178.276 197.607 1.00 0.00 0.007 A +ATOM 3091 CD2 TYR A 348 165.645 180.630 197.416 1.00 0.00 0.007 A +ATOM 3092 CE1 TYR A 348 164.078 178.387 197.130 1.00 0.00 0.046 A +ATOM 3093 CE2 TYR A 348 164.356 180.749 196.937 1.00 0.00 0.046 A +ATOM 3094 CZ TYR A 348 163.578 179.621 196.798 1.00 0.00 0.115 A +ATOM 3095 OH TYR A 348 162.295 179.725 196.324 1.00 0.00 -0.507 OA +ATOM 3096 HH TYR A 348 162.113 180.529 196.159 1.00 0.00 0.294 HD +ATOM 3097 H TYR A 348 169.972 179.278 198.675 1.00 0.00 0.164 HD +ATOM 3098 C VAL A 349 170.053 181.499 194.106 1.00 0.00 0.243 C +ATOM 3099 O VAL A 349 169.924 181.575 192.884 1.00 0.00 -0.272 OA +ATOM 3100 CA VAL A 349 168.910 181.897 195.039 1.00 0.00 0.173 C +ATOM 3101 N VAL A 349 168.866 180.997 196.188 1.00 0.00 -0.343 N +ATOM 3102 CB VAL A 349 169.082 183.369 195.468 1.00 0.00 0.015 C +ATOM 3103 CG1 VAL A 349 169.210 184.283 194.243 1.00 0.00 0.010 C +ATOM 3104 CG2 VAL A 349 167.912 183.813 196.331 1.00 0.00 0.010 C +ATOM 3105 H VAL A 349 169.020 181.378 196.943 1.00 0.00 0.164 HD +ATOM 3106 C GLN A 350 171.951 179.555 192.933 1.00 0.00 0.242 C +ATOM 3107 O GLN A 350 172.278 179.649 191.751 1.00 0.00 -0.273 OA +ATOM 3108 CA GLN A 350 172.332 180.638 193.937 1.00 0.00 0.171 C +ATOM 3109 N GLN A 350 171.168 181.080 194.695 1.00 0.00 -0.343 N +ATOM 3110 CB GLN A 350 173.418 180.120 194.885 1.00 0.00 0.045 C +ATOM 3111 CG GLN A 350 174.719 179.724 194.201 1.00 0.00 0.102 C +ATOM 3112 CD GLN A 350 175.428 180.901 193.558 1.00 0.00 0.217 C +ATOM 3113 OE1 GLN A 350 175.867 181.826 194.239 1.00 0.00 -0.275 OA +ATOM 3114 NE2 GLN A 350 175.542 180.870 192.238 1.00 0.00 -0.368 N +ATOM 3115 HE22 GLN A 350 175.223 180.207 191.794 1.00 0.00 0.159 HD +ATOM 3116 HE21 GLN A 350 175.936 181.514 191.825 1.00 0.00 0.159 HD +ATOM 3117 H GLN A 350 171.276 181.042 195.547 1.00 0.00 0.164 HD +ATOM 3118 C HIS A 351 169.754 177.972 191.560 1.00 0.00 0.242 C +ATOM 3119 O HIS A 351 169.800 177.683 190.366 1.00 0.00 -0.272 OA +ATOM 3120 CA HIS A 351 170.786 177.455 192.547 1.00 0.00 0.177 C +ATOM 3121 N HIS A 351 171.258 178.528 193.412 1.00 0.00 -0.343 N +ATOM 3122 CB HIS A 351 170.165 176.327 193.369 1.00 0.00 0.093 C +ATOM 3123 CG HIS A 351 169.383 175.355 192.544 1.00 0.00 0.061 A +ATOM 3124 ND1 HIS A 351 169.980 174.374 191.785 1.00 0.00 -0.242 NA +ATOM 3125 CD2 HIS A 351 168.051 175.232 192.337 1.00 0.00 0.107 A +ATOM 3126 CE1 HIS A 351 169.050 173.679 191.156 1.00 0.00 0.196 A +ATOM 3127 NE2 HIS A 351 167.870 174.179 191.474 1.00 0.00 -0.350 N +ATOM 3128 HE2 HIS A 351 167.112 173.892 191.187 1.00 0.00 0.167 HD +ATOM 3129 H HIS A 351 171.046 178.430 194.240 1.00 0.00 0.164 HD +ATOM 3130 C LEU A 352 168.134 180.101 190.160 1.00 0.00 0.243 C +ATOM 3131 O LEU A 352 167.600 179.951 189.060 1.00 0.00 -0.272 OA +ATOM 3132 CA LEU A 352 167.689 179.277 191.367 1.00 0.00 0.172 C +ATOM 3133 N LEU A 352 168.815 178.730 192.103 1.00 0.00 -0.345 N +ATOM 3134 CB LEU A 352 166.857 180.118 192.336 1.00 0.00 0.038 C +ATOM 3135 CG LEU A 352 165.548 180.777 191.934 1.00 0.00 -0.015 C +ATOM 3136 CD1 LEU A 352 164.666 180.862 193.165 1.00 0.00 0.007 C +ATOM 3137 CD2 LEU A 352 165.803 182.158 191.380 1.00 0.00 0.007 C +ATOM 3138 H LEU A 352 168.810 178.951 192.934 1.00 0.00 0.165 HD +ATOM 3139 C SER A 353 170.326 181.107 188.208 1.00 0.00 0.244 C +ATOM 3140 O SER A 353 170.278 181.519 187.050 1.00 0.00 -0.272 OA +ATOM 3141 CA SER A 353 169.612 181.853 189.328 1.00 0.00 0.197 C +ATOM 3142 N SER A 353 169.127 180.958 190.372 1.00 0.00 -0.342 N +ATOM 3143 CB SER A 353 170.560 182.892 189.926 1.00 0.00 0.191 C +ATOM 3144 OG SER A 353 171.751 182.281 190.393 1.00 0.00 -0.392 OA +ATOM 3145 HG SER A 353 171.570 181.714 190.985 1.00 0.00 0.210 HD +ATOM 3146 H SER A 353 169.540 181.042 191.121 1.00 0.00 0.164 HD +ATOM 3147 C GLY A 354 173.129 180.052 187.341 1.00 0.00 0.239 C +ATOM 3148 O GLY A 354 173.904 179.665 186.468 1.00 0.00 -0.273 OA +ATOM 3149 CA GLY A 354 171.839 179.301 187.622 1.00 0.00 0.216 C +ATOM 3150 N GLY A 354 170.997 180.016 188.562 1.00 0.00 -0.346 N +ATOM 3151 H GLY A 354 170.979 179.669 189.348 1.00 0.00 0.164 HD +ATOM 3152 C TYR A 355 175.812 181.223 188.257 1.00 0.00 0.243 C +ATOM 3153 O TYR A 355 175.831 180.438 189.204 1.00 0.00 -0.272 OA +ATOM 3154 CA TYR A 355 174.535 181.968 187.882 1.00 0.00 0.175 C +ATOM 3155 N TYR A 355 173.357 181.132 188.081 1.00 0.00 -0.343 N +ATOM 3156 CB TYR A 355 174.435 183.255 188.712 1.00 0.00 0.070 C +ATOM 3157 CG TYR A 355 173.343 184.222 188.294 1.00 0.00 -0.045 A +ATOM 3158 CD1 TYR A 355 172.676 184.082 187.085 1.00 0.00 0.007 A +ATOM 3159 CD2 TYR A 355 172.989 185.287 189.113 1.00 0.00 0.007 A +ATOM 3160 CE1 TYR A 355 171.686 184.970 186.708 1.00 0.00 0.046 A +ATOM 3161 CE2 TYR A 355 172.001 186.177 188.744 1.00 0.00 0.046 A +ATOM 3162 CZ TYR A 355 171.353 186.015 187.542 1.00 0.00 0.115 A +ATOM 3163 OH TYR A 355 170.368 186.901 187.171 1.00 0.00 -0.507 OA +ATOM 3164 HH TYR A 355 170.058 186.688 186.420 1.00 0.00 0.294 HD +ATOM 3165 H TYR A 355 172.840 181.404 188.712 1.00 0.00 0.164 HD +ATOM 3166 C HIS A 356 178.851 181.853 188.871 1.00 0.00 0.242 C +ATOM 3167 O HIS A 356 179.671 181.404 189.669 1.00 0.00 -0.272 OA +ATOM 3168 CA HIS A 356 178.194 180.951 187.834 1.00 0.00 0.177 C +ATOM 3169 N HIS A 356 176.875 181.473 187.501 1.00 0.00 -0.343 N +ATOM 3170 CB HIS A 356 179.072 180.849 186.588 1.00 0.00 0.093 C +ATOM 3171 CG HIS A 356 178.654 179.769 185.640 1.00 0.00 0.061 A +ATOM 3172 ND1 HIS A 356 178.143 178.561 186.064 1.00 0.00 -0.242 NA +ATOM 3173 CD2 HIS A 356 178.669 179.717 184.288 1.00 0.00 0.107 A +ATOM 3174 CE1 HIS A 356 177.864 177.811 185.014 1.00 0.00 0.196 A +ATOM 3175 NE2 HIS A 356 178.173 178.489 183.924 1.00 0.00 -0.350 N +ATOM 3176 HE2 HIS A 356 178.080 178.207 183.116 1.00 0.00 0.167 HD +ATOM 3177 H HIS A 356 176.858 181.948 186.784 1.00 0.00 0.164 HD +ATOM 3178 C PHE A 357 178.383 183.649 191.220 1.00 0.00 0.243 C +ATOM 3179 O PHE A 357 177.211 183.300 191.347 1.00 0.00 -0.272 OA +ATOM 3180 CA PHE A 357 178.927 184.074 189.862 1.00 0.00 0.175 C +ATOM 3181 N PHE A 357 178.486 183.131 188.845 1.00 0.00 -0.343 N +ATOM 3182 CB PHE A 357 178.471 185.493 189.522 1.00 0.00 0.070 C +ATOM 3183 CG PHE A 357 178.711 186.485 190.623 1.00 0.00 -0.045 A +ATOM 3184 CD1 PHE A 357 179.989 186.938 190.899 1.00 0.00 0.004 A +ATOM 3185 CD2 PHE A 357 177.656 186.969 191.379 1.00 0.00 0.004 A +ATOM 3186 CE1 PHE A 357 180.211 187.850 191.910 1.00 0.00 0.000 A +ATOM 3187 CE2 PHE A 357 177.872 187.883 192.393 1.00 0.00 0.000 A +ATOM 3188 CZ PHE A 357 179.150 188.324 192.659 1.00 0.00 0.000 A +ATOM 3189 H PHE A 357 177.979 183.477 188.242 1.00 0.00 0.164 HD +ATOM 3190 C LYS A 358 178.309 184.292 194.416 1.00 0.00 0.242 C +ATOM 3191 O LYS A 358 179.030 185.139 194.946 1.00 0.00 -0.273 OA +ATOM 3192 CA LYS A 358 178.910 183.182 193.555 1.00 0.00 0.171 C +ATOM 3193 N LYS A 358 179.248 183.678 192.227 1.00 0.00 -0.344 N +ATOM 3194 CB LYS A 358 180.158 182.596 194.220 1.00 0.00 0.035 C +ATOM 3195 CG LYS A 358 179.889 181.762 195.456 1.00 0.00 0.008 C +ATOM 3196 CD LYS A 358 181.183 181.172 195.996 1.00 0.00 0.061 C +ATOM 3197 CE LYS A 358 181.015 180.639 197.409 1.00 0.00 0.258 C +ATOM 3198 NZ LYS A 358 182.300 180.134 197.969 1.00 0.00 -0.357 N +ATOM 3199 HZ1 LYS A 358 182.173 179.828 198.795 1.00 0.00 0.345 HD +ATOM 3200 HZ2 LYS A 358 182.614 179.473 197.462 1.00 0.00 0.345 HD +ATOM 3201 HZ3 LYS A 358 182.900 180.790 197.993 1.00 0.00 0.345 HD +ATOM 3202 H LYS A 358 180.048 183.986 192.166 1.00 0.00 0.164 HD +ATOM 3203 C LEU A 359 176.756 185.270 196.773 1.00 0.00 0.243 C +ATOM 3204 O LEU A 359 177.197 184.238 197.275 1.00 0.00 -0.272 OA +ATOM 3205 CA LEU A 359 176.275 185.289 195.327 1.00 0.00 0.172 C +ATOM 3206 N LEU A 359 176.984 184.284 194.540 1.00 0.00 -0.345 N +ATOM 3207 CB LEU A 359 174.765 185.056 195.269 1.00 0.00 0.038 C +ATOM 3208 CG LEU A 359 174.125 185.121 193.880 1.00 0.00 -0.015 C +ATOM 3209 CD1 LEU A 359 172.676 184.675 193.947 1.00 0.00 0.007 C +ATOM 3210 CD2 LEU A 359 174.224 186.521 193.292 1.00 0.00 0.007 C +ATOM 3211 H LEU A 359 176.468 183.701 194.175 1.00 0.00 0.165 HD +ATOM 3212 C LYS A 360 176.238 187.309 199.695 1.00 0.00 0.242 C +ATOM 3213 O LYS A 360 175.663 188.334 199.332 1.00 0.00 -0.273 OA +ATOM 3214 CA LYS A 360 177.217 186.596 198.769 1.00 0.00 0.171 C +ATOM 3215 N LYS A 360 176.664 186.421 197.432 1.00 0.00 -0.344 N +ATOM 3216 CB LYS A 360 178.524 187.391 198.695 1.00 0.00 0.035 C +ATOM 3217 CG LYS A 360 179.308 187.434 199.998 1.00 0.00 0.008 C +ATOM 3218 CD LYS A 360 180.497 188.378 199.896 1.00 0.00 0.061 C +ATOM 3219 CE LYS A 360 181.441 188.228 201.078 1.00 0.00 0.258 C +ATOM 3220 NZ LYS A 360 182.267 189.450 201.298 1.00 0.00 -0.357 N +ATOM 3221 HZ1 LYS A 360 182.808 189.330 201.995 1.00 0.00 0.345 HD +ATOM 3222 HZ2 LYS A 360 182.759 189.618 200.576 1.00 0.00 0.345 HD +ATOM 3223 HZ3 LYS A 360 181.739 190.148 201.458 1.00 0.00 0.345 HD +ATOM 3224 H LYS A 360 176.281 187.125 197.120 1.00 0.00 0.164 HD +ATOM 3225 C PHE A 361 176.353 188.250 202.761 1.00 0.00 0.243 C +ATOM 3226 O PHE A 361 177.138 187.674 203.512 1.00 0.00 -0.272 OA +ATOM 3227 CA PHE A 361 175.342 187.466 201.944 1.00 0.00 0.175 C +ATOM 3228 N PHE A 361 176.051 186.758 200.890 1.00 0.00 -0.343 N +ATOM 3229 CB PHE A 361 174.553 186.511 202.843 1.00 0.00 0.070 C +ATOM 3230 CG PHE A 361 173.889 187.194 204.007 1.00 0.00 -0.045 A +ATOM 3231 CD1 PHE A 361 173.163 188.359 203.817 1.00 0.00 0.004 A +ATOM 3232 CD2 PHE A 361 173.990 186.678 205.286 1.00 0.00 0.004 A +ATOM 3233 CE1 PHE A 361 172.556 188.993 204.881 1.00 0.00 0.000 A +ATOM 3234 CE2 PHE A 361 173.383 187.308 206.350 1.00 0.00 0.000 A +ATOM 3235 CZ PHE A 361 172.665 188.465 206.148 1.00 0.00 0.000 A +ATOM 3236 H PHE A 361 176.326 185.975 201.114 1.00 0.00 0.164 HD +ATOM 3237 C ASP A 362 176.705 191.840 203.434 1.00 0.00 0.242 C +ATOM 3238 O ASP A 362 176.873 192.673 202.548 1.00 0.00 -0.273 OA +ATOM 3239 CA ASP A 362 177.278 190.433 203.290 1.00 0.00 0.176 C +ATOM 3240 N ASP A 362 176.337 189.568 202.599 1.00 0.00 -0.343 N +ATOM 3241 CB ASP A 362 178.610 190.473 202.543 1.00 0.00 0.087 C +ATOM 3242 CG ASP A 362 179.671 191.265 203.284 1.00 0.00 0.044 C +ATOM 3243 OD1 ASP A 362 179.449 191.613 204.465 1.00 0.00 -0.548 OA +ATOM 3244 OD2 ASP A 362 180.734 191.534 202.688 1.00 0.00 -0.549 OA +ATOM 3245 H ASP A 362 175.785 189.987 202.090 1.00 0.00 0.164 HD +ATOM 3246 C PRO A 363 176.390 194.591 204.676 1.00 0.00 0.243 C +ATOM 3247 O PRO A 363 175.960 195.707 204.387 1.00 0.00 -0.271 OA +ATOM 3248 CA PRO A 363 175.416 193.422 204.809 1.00 0.00 0.175 C +ATOM 3249 N PRO A 363 176.013 192.107 204.554 1.00 0.00 -0.329 N +ATOM 3250 CB PRO A 363 174.920 193.291 206.249 1.00 0.00 0.037 C +ATOM 3251 CG PRO A 363 174.574 191.865 206.375 1.00 0.00 0.024 C +ATOM 3252 CD PRO A 363 175.608 191.126 205.578 1.00 0.00 0.121 C +ATOM 3253 C GLU A 364 178.750 196.015 203.396 1.00 0.00 0.242 C +ATOM 3254 O GLU A 364 179.195 197.149 203.234 1.00 0.00 -0.273 OA +ATOM 3255 CA GLU A 364 178.681 195.399 204.793 1.00 0.00 0.171 C +ATOM 3256 N GLU A 364 177.678 194.340 204.872 1.00 0.00 -0.344 N +ATOM 3257 CB GLU A 364 180.051 194.859 205.200 1.00 0.00 0.041 C +ATOM 3258 CG GLU A 364 180.127 194.434 206.657 1.00 0.00 0.055 C +ATOM 3259 CD GLU A 364 181.455 193.806 207.021 1.00 0.00 0.041 C +ATOM 3260 OE1 GLU A 364 182.445 194.036 206.295 1.00 0.00 -0.548 OA +ATOM 3261 OE2 GLU A 364 181.506 193.078 208.035 1.00 0.00 -0.549 OA +ATOM 3262 H GLU A 364 178.000 193.564 205.054 1.00 0.00 0.164 HD +ATOM 3263 C LEU A 365 177.436 196.989 200.818 1.00 0.00 0.243 C +ATOM 3264 O LEU A 365 177.662 197.762 199.891 1.00 0.00 -0.272 OA +ATOM 3265 CA LEU A 365 178.304 195.747 201.017 1.00 0.00 0.172 C +ATOM 3266 N LEU A 365 178.297 195.269 202.394 1.00 0.00 -0.345 N +ATOM 3267 CB LEU A 365 177.826 194.639 200.075 1.00 0.00 0.038 C +ATOM 3268 CG LEU A 365 178.645 193.345 200.053 1.00 0.00 -0.015 C +ATOM 3269 CD1 LEU A 365 177.950 192.300 199.195 1.00 0.00 0.007 C +ATOM 3270 CD2 LEU A 365 180.055 193.593 199.553 1.00 0.00 0.007 C +ATOM 3271 H LEU A 365 177.978 194.476 202.486 1.00 0.00 0.165 HD +ATOM 3272 C LEU A 366 175.696 199.434 202.490 1.00 0.00 0.243 C +ATOM 3273 O LEU A 366 174.952 200.409 202.453 1.00 0.00 -0.272 OA +ATOM 3274 CA LEU A 366 175.481 198.263 201.530 1.00 0.00 0.172 C +ATOM 3275 N LEU A 366 176.448 197.179 201.688 1.00 0.00 -0.345 N +ATOM 3276 CB LEU A 366 174.063 197.720 201.713 1.00 0.00 0.038 C +ATOM 3277 CG LEU A 366 173.535 196.778 200.630 1.00 0.00 -0.015 C +ATOM 3278 CD1 LEU A 366 172.232 196.137 201.085 1.00 0.00 0.007 C +ATOM 3279 CD2 LEU A 366 173.331 197.524 199.320 1.00 0.00 0.007 C +ATOM 3280 H LEU A 366 176.315 196.691 202.384 1.00 0.00 0.165 HD +ATOM 3281 C PHE A 367 177.335 201.735 203.795 1.00 0.00 0.243 C +ATOM 3282 O PHE A 367 177.126 202.765 204.434 1.00 0.00 -0.272 OA +ATOM 3283 CA PHE A 367 176.917 200.379 204.365 1.00 0.00 0.175 C +ATOM 3284 N PHE A 367 176.712 199.355 203.341 1.00 0.00 -0.343 N +ATOM 3285 CB PHE A 367 177.958 199.913 205.385 1.00 0.00 0.070 C +ATOM 3286 CG PHE A 367 177.476 198.814 206.303 1.00 0.00 -0.045 A +ATOM 3287 CD1 PHE A 367 176.140 198.443 206.340 1.00 0.00 0.004 A +ATOM 3288 CD2 PHE A 367 178.366 198.159 207.138 1.00 0.00 0.004 A +ATOM 3289 CE1 PHE A 367 175.709 197.443 207.179 1.00 0.00 0.000 A +ATOM 3290 CE2 PHE A 367 177.935 197.157 207.981 1.00 0.00 0.000 A +ATOM 3291 CZ PHE A 367 176.605 196.799 208.003 1.00 0.00 0.000 A +ATOM 3292 H PHE A 367 177.296 198.723 203.348 1.00 0.00 0.164 HD +ATOM 3293 C ASN A 368 177.265 203.370 200.851 1.00 0.00 0.242 C +ATOM 3294 O ASN A 368 177.467 204.332 200.113 1.00 0.00 -0.273 OA +ATOM 3295 CA ASN A 368 178.280 202.985 201.924 1.00 0.00 0.180 C +ATOM 3296 N ASN A 368 177.919 201.739 202.600 1.00 0.00 -0.342 N +ATOM 3297 CB ASN A 368 179.673 202.871 201.296 1.00 0.00 0.134 C +ATOM 3298 CG ASN A 368 180.789 203.107 202.294 1.00 0.00 0.220 C +ATOM 3299 OD1 ASN A 368 180.564 203.134 203.505 1.00 0.00 -0.275 OA +ATOM 3300 ND2 ASN A 368 182.003 203.280 201.787 1.00 0.00 -0.368 N +ATOM 3301 HD22 ASN A 368 182.672 203.418 202.310 1.00 0.00 0.159 HD +ATOM 3302 HD21 ASN A 368 182.121 203.255 200.935 1.00 0.00 0.159 HD +ATOM 3303 H ASN A 368 178.118 201.030 202.156 1.00 0.00 0.164 HD +ATOM 3304 C LYS A 369 173.876 203.390 200.320 1.00 0.00 0.242 C +ATOM 3305 O LYS A 369 173.643 203.320 201.524 1.00 0.00 -0.273 OA +ATOM 3306 CA LYS A 369 175.165 202.829 199.738 1.00 0.00 0.171 C +ATOM 3307 N LYS A 369 176.172 202.618 200.770 1.00 0.00 -0.344 N +ATOM 3308 CB LYS A 369 174.864 201.517 199.010 1.00 0.00 0.035 C +ATOM 3309 CG LYS A 369 176.092 200.801 198.480 1.00 0.00 0.008 C +ATOM 3310 CD LYS A 369 176.810 201.628 197.432 1.00 0.00 0.061 C +ATOM 3311 CE LYS A 369 178.032 200.905 196.899 1.00 0.00 0.258 C +ATOM 3312 NZ LYS A 369 178.765 201.729 195.902 1.00 0.00 -0.357 N +ATOM 3313 HZ1 LYS A 369 179.476 201.285 195.604 1.00 0.00 0.345 HD +ATOM 3314 HZ2 LYS A 369 178.233 201.917 195.213 1.00 0.00 0.345 HD +ATOM 3315 HZ3 LYS A 369 179.035 202.490 196.275 1.00 0.00 0.345 HD +ATOM 3316 H LYS A 369 175.990 201.972 201.307 1.00 0.00 0.164 HD +ATOM 3317 C GLN A 370 170.847 203.038 199.824 1.00 0.00 0.242 C +ATOM 3318 O GLN A 370 170.889 202.262 198.870 1.00 0.00 -0.273 OA +ATOM 3319 CA GLN A 370 171.683 204.304 199.832 1.00 0.00 0.171 C +ATOM 3320 N GLN A 370 173.043 203.955 199.455 1.00 0.00 -0.343 N +ATOM 3321 CB GLN A 370 171.093 205.342 198.883 1.00 0.00 0.045 C +ATOM 3322 CG GLN A 370 171.646 206.743 199.071 1.00 0.00 0.102 C +ATOM 3323 CD GLN A 370 171.139 207.708 198.019 1.00 0.00 0.217 C +ATOM 3324 OE1 GLN A 370 171.234 207.443 196.821 1.00 0.00 -0.275 OA +ATOM 3325 NE2 GLN A 370 170.585 208.830 198.462 1.00 0.00 -0.368 N +ATOM 3326 HE22 GLN A 370 170.529 208.978 199.307 1.00 0.00 0.159 HD +ATOM 3327 HE21 GLN A 370 170.282 209.410 197.903 1.00 0.00 0.159 HD +ATOM 3328 H GLN A 370 173.243 204.147 198.641 1.00 0.00 0.164 HD +ATOM 3329 C PHE A 371 168.405 201.765 202.266 1.00 0.00 0.243 C +ATOM 3330 O PHE A 371 168.829 202.287 203.290 1.00 0.00 -0.272 OA +ATOM 3331 CA PHE A 371 169.305 201.617 201.050 1.00 0.00 0.175 C +ATOM 3332 N PHE A 371 170.089 202.831 200.892 1.00 0.00 -0.343 N +ATOM 3333 CB PHE A 371 170.223 200.400 201.198 1.00 0.00 0.070 C +ATOM 3334 CG PHE A 371 169.509 199.085 201.134 1.00 0.00 -0.045 A +ATOM 3335 CD1 PHE A 371 169.292 198.462 199.919 1.00 0.00 0.004 A +ATOM 3336 CD2 PHE A 371 169.072 198.462 202.286 1.00 0.00 0.004 A +ATOM 3337 CE1 PHE A 371 168.642 197.249 199.858 1.00 0.00 0.000 A +ATOM 3338 CE2 PHE A 371 168.422 197.248 202.228 1.00 0.00 0.000 A +ATOM 3339 CZ PHE A 371 168.207 196.642 201.015 1.00 0.00 0.000 A +ATOM 3340 H PHE A 371 170.012 203.384 201.546 1.00 0.00 0.164 HD +ATOM 3341 C GLN A 372 166.108 200.000 203.930 1.00 0.00 0.242 C +ATOM 3342 O GLN A 372 165.780 199.001 203.292 1.00 0.00 -0.273 OA +ATOM 3343 CA GLN A 372 166.211 201.361 203.250 1.00 0.00 0.171 C +ATOM 3344 N GLN A 372 167.161 201.314 202.144 1.00 0.00 -0.343 N +ATOM 3345 CB GLN A 372 164.833 201.805 202.759 1.00 0.00 0.045 C +ATOM 3346 CG GLN A 372 164.836 203.124 202.023 1.00 0.00 0.102 C +ATOM 3347 CD GLN A 372 165.220 204.287 202.906 1.00 0.00 0.217 C +ATOM 3348 OE1 GLN A 372 164.649 204.485 203.977 1.00 0.00 -0.275 OA +ATOM 3349 NE2 GLN A 372 166.195 205.064 202.464 1.00 0.00 -0.368 N +ATOM 3350 HE22 GLN A 372 166.572 204.893 201.710 1.00 0.00 0.159 HD +ATOM 3351 HE21 GLN A 372 166.451 205.740 202.930 1.00 0.00 0.159 HD +ATOM 3352 H GLN A 372 166.839 200.973 201.424 1.00 0.00 0.164 HD +ATOM 3353 C TYR A 373 164.846 198.595 206.508 1.00 0.00 0.243 C +ATOM 3354 O TYR A 373 164.556 198.773 207.691 1.00 0.00 -0.272 OA +ATOM 3355 CA TYR A 373 166.273 198.744 206.003 1.00 0.00 0.175 C +ATOM 3356 N TYR A 373 166.394 199.970 205.227 1.00 0.00 -0.343 N +ATOM 3357 CB TYR A 373 167.280 198.735 207.151 1.00 0.00 0.070 C +ATOM 3358 CG TYR A 373 168.698 198.709 206.644 1.00 0.00 -0.045 A +ATOM 3359 CD1 TYR A 373 169.215 197.568 206.051 1.00 0.00 0.007 A +ATOM 3360 CD2 TYR A 373 169.507 199.830 206.724 1.00 0.00 0.007 A +ATOM 3361 CE1 TYR A 373 170.503 197.539 205.568 1.00 0.00 0.046 A +ATOM 3362 CE2 TYR A 373 170.797 199.811 206.245 1.00 0.00 0.046 A +ATOM 3363 CZ TYR A 373 171.292 198.664 205.668 1.00 0.00 0.115 A +ATOM 3364 OH TYR A 373 172.579 198.642 205.190 1.00 0.00 -0.507 OA +ATOM 3365 HH TYR A 373 172.753 197.886 204.867 1.00 0.00 0.294 HD +ATOM 3366 H TYR A 373 166.661 200.649 205.682 1.00 0.00 0.164 HD +ATOM 3367 C GLN A 374 161.956 197.330 204.628 1.00 0.00 0.242 C +ATOM 3368 O GLN A 374 162.500 197.418 203.531 1.00 0.00 -0.273 OA +ATOM 3369 CA GLN A 374 162.562 198.019 205.842 1.00 0.00 0.171 C +ATOM 3370 N GLN A 374 163.964 198.279 205.567 1.00 0.00 -0.343 N +ATOM 3371 CB GLN A 374 161.810 199.313 206.163 1.00 0.00 0.045 C +ATOM 3372 CG GLN A 374 161.918 200.390 205.106 1.00 0.00 0.102 C +ATOM 3373 CD GLN A 374 161.023 201.579 205.404 1.00 0.00 0.217 C +ATOM 3374 OE1 GLN A 374 159.799 201.462 205.398 1.00 0.00 -0.275 OA +ATOM 3375 NE2 GLN A 374 161.630 202.729 205.671 1.00 0.00 -0.368 N +ATOM 3376 HE22 GLN A 374 162.489 202.772 205.669 1.00 0.00 0.159 HD +ATOM 3377 HE21 GLN A 374 161.165 203.430 205.845 1.00 0.00 0.159 HD +ATOM 3378 H GLN A 374 164.164 198.208 204.733 1.00 0.00 0.164 HD +ATOM 3379 C ASN A 375 158.688 195.822 203.938 1.00 0.00 0.242 C +ATOM 3380 O ASN A 375 158.194 195.891 205.058 1.00 0.00 -0.273 OA +ATOM 3381 CA ASN A 375 160.192 195.928 203.734 1.00 0.00 0.180 C +ATOM 3382 N ASN A 375 160.844 196.635 204.827 1.00 0.00 -0.342 N +ATOM 3383 CB ASN A 375 160.789 194.528 203.575 1.00 0.00 0.134 C +ATOM 3384 CG ASN A 375 160.394 193.872 202.265 1.00 0.00 0.220 C +ATOM 3385 OD1 ASN A 375 160.473 194.487 201.202 1.00 0.00 -0.275 OA +ATOM 3386 ND2 ASN A 375 159.949 192.624 202.337 1.00 0.00 -0.368 N +ATOM 3387 HD22 ASN A 375 159.713 192.210 201.621 1.00 0.00 0.159 HD +ATOM 3388 HD21 ASN A 375 159.897 192.229 203.099 1.00 0.00 0.159 HD +ATOM 3389 H ASN A 375 160.447 196.557 205.585 1.00 0.00 0.164 HD +ATOM 3390 C ARG A 376 156.225 194.471 201.710 1.00 0.00 0.242 C +ATOM 3391 O ARG A 376 156.577 194.703 200.555 1.00 0.00 -0.273 OA +ATOM 3392 CA ARG A 376 156.539 195.458 202.828 1.00 0.00 0.171 C +ATOM 3393 N ARG A 376 157.978 195.667 202.829 1.00 0.00 -0.344 N +ATOM 3394 CB ARG A 376 155.792 196.780 202.629 1.00 0.00 0.038 C +ATOM 3395 CG ARG A 376 154.296 196.714 202.915 1.00 0.00 0.040 C +ATOM 3396 CD ARG A 376 153.995 196.711 204.408 1.00 0.00 0.197 C +ATOM 3397 NE ARG A 376 154.441 197.938 205.063 1.00 0.00 -0.278 N +ATOM 3398 HE ARG A 376 155.213 197.929 205.441 1.00 0.00 0.260 HD +ATOM 3399 CZ ARG A 376 153.742 199.067 205.118 1.00 0.00 0.339 C +ATOM 3400 NH1 ARG A 376 152.543 199.148 204.554 1.00 0.00 -0.290 N +ATOM 3401 NH2 ARG A 376 154.247 200.124 205.738 1.00 0.00 -0.290 N +ATOM 3402 HH12 ARG A 376 152.211 198.466 204.150 1.00 0.00 0.256 HD +ATOM 3403 HH11 ARG A 376 152.097 199.883 204.594 1.00 0.00 0.256 HD +ATOM 3404 HH22 ARG A 376 155.023 200.077 206.105 1.00 0.00 0.256 HD +ATOM 3405 HH21 ARG A 376 153.797 200.856 205.776 1.00 0.00 0.256 HD +ATOM 3406 H ARG A 376 158.319 195.679 202.040 1.00 0.00 0.164 HD +ATOM 3407 C ILE A 377 154.359 192.652 200.032 1.00 0.00 0.243 C +ATOM 3408 O ILE A 377 153.224 193.038 200.312 1.00 0.00 -0.272 OA +ATOM 3409 CA ILE A 377 155.358 192.275 201.117 1.00 0.00 0.174 C +ATOM 3410 N ILE A 377 155.584 193.364 202.061 1.00 0.00 -0.343 N +ATOM 3411 CB ILE A 377 154.868 191.007 201.845 1.00 0.00 0.018 C +ATOM 3412 CG2 ILE A 377 154.558 189.883 200.852 1.00 0.00 0.010 C +ATOM 3413 CG1 ILE A 377 155.917 190.548 202.862 1.00 0.00 0.002 C +ATOM 3414 CD1 ILE A 377 157.255 190.116 202.248 1.00 0.00 0.004 C +ATOM 3415 H ILE A 377 155.266 193.216 202.847 1.00 0.00 0.164 HD +ATOM 3416 C ALA A 378 153.075 191.704 197.229 1.00 0.00 0.243 C +ATOM 3417 O ALA A 378 153.514 190.557 197.152 1.00 0.00 -0.272 OA +ATOM 3418 CA ALA A 378 153.983 192.859 197.630 1.00 0.00 0.168 C +ATOM 3419 N ALA A 378 154.801 192.519 198.786 1.00 0.00 -0.344 N +ATOM 3420 CB ALA A 378 154.866 193.255 196.469 1.00 0.00 0.041 C +ATOM 3421 H ALA A 378 155.584 192.230 198.582 1.00 0.00 0.164 HD +ATOM 3422 C ALA A 379 151.311 190.326 195.245 1.00 0.00 0.243 C +ATOM 3423 O ALA A 379 151.057 189.143 195.043 1.00 0.00 -0.272 OA +ATOM 3424 CA ALA A 379 150.845 191.011 196.525 1.00 0.00 0.168 C +ATOM 3425 N ALA A 379 151.809 192.013 196.968 1.00 0.00 -0.344 N +ATOM 3426 CB ALA A 379 149.485 191.646 196.313 1.00 0.00 0.041 C +ATOM 3427 H ALA A 379 151.480 192.804 197.041 1.00 0.00 0.164 HD +ATOM 3428 C GLU A 380 153.566 189.500 193.357 1.00 0.00 0.242 C +ATOM 3429 O GLU A 380 153.671 188.507 192.635 1.00 0.00 -0.273 OA +ATOM 3430 CA GLU A 380 152.467 190.521 193.119 1.00 0.00 0.171 C +ATOM 3431 N GLU A 380 151.995 191.072 194.384 1.00 0.00 -0.344 N +ATOM 3432 CB GLU A 380 152.968 191.630 192.199 1.00 0.00 0.041 C +ATOM 3433 CG GLU A 380 151.889 192.614 191.791 1.00 0.00 0.055 C +ATOM 3434 CD GLU A 380 151.880 193.869 192.640 1.00 0.00 0.041 C +ATOM 3435 OE1 GLU A 380 152.345 193.817 193.795 1.00 0.00 -0.548 OA +ATOM 3436 OE2 GLU A 380 151.408 194.912 192.143 1.00 0.00 -0.549 OA +ATOM 3437 H GLU A 380 152.200 191.898 194.508 1.00 0.00 0.164 HD +ATOM 3438 C PHE A 381 154.769 187.522 195.240 1.00 0.00 0.243 C +ATOM 3439 O PHE A 381 155.229 186.431 194.914 1.00 0.00 -0.272 OA +ATOM 3440 CA PHE A 381 155.424 188.817 194.781 1.00 0.00 0.175 C +ATOM 3441 N PHE A 381 154.387 189.756 194.371 1.00 0.00 -0.343 N +ATOM 3442 CB PHE A 381 156.281 189.427 195.895 1.00 0.00 0.070 C +ATOM 3443 CG PHE A 381 157.530 188.650 196.221 1.00 0.00 -0.045 A +ATOM 3444 CD1 PHE A 381 158.298 188.076 195.223 1.00 0.00 0.004 A +ATOM 3445 CD2 PHE A 381 157.958 188.533 197.534 1.00 0.00 0.004 A +ATOM 3446 CE1 PHE A 381 159.453 187.378 195.532 1.00 0.00 0.000 A +ATOM 3447 CE2 PHE A 381 159.110 187.838 197.847 1.00 0.00 0.000 A +ATOM 3448 CZ PHE A 381 159.859 187.261 196.844 1.00 0.00 0.000 A +ATOM 3449 H PHE A 381 154.363 190.475 194.842 1.00 0.00 0.164 HD +ATOM 3450 C ASN A 382 152.408 185.728 195.211 1.00 0.00 0.242 C +ATOM 3451 O ASN A 382 152.615 184.524 195.116 1.00 0.00 -0.273 OA +ATOM 3452 CA ASN A 382 152.900 186.502 196.424 1.00 0.00 0.180 C +ATOM 3453 N ASN A 382 153.686 187.654 195.999 1.00 0.00 -0.342 N +ATOM 3454 CB ASN A 382 151.721 186.949 197.294 1.00 0.00 0.134 C +ATOM 3455 CG ASN A 382 150.917 185.785 197.858 1.00 0.00 0.220 C +ATOM 3456 OD1 ASN A 382 150.724 184.762 197.209 1.00 0.00 -0.275 OA +ATOM 3457 ND2 ASN A 382 150.436 185.952 199.079 1.00 0.00 -0.368 N +ATOM 3458 HD22 ASN A 382 149.974 185.328 199.448 1.00 0.00 0.159 HD +ATOM 3459 HD21 ASN A 382 150.586 186.685 199.503 1.00 0.00 0.159 HD +ATOM 3460 H ASN A 382 153.383 188.407 196.283 1.00 0.00 0.164 HD +ATOM 3461 C THR A 383 152.236 185.052 192.266 1.00 0.00 0.245 C +ATOM 3462 O THR A 383 152.018 183.893 191.915 1.00 0.00 -0.273 OA +ATOM 3463 CA THR A 383 151.204 185.817 193.091 1.00 0.00 0.199 C +ATOM 3464 N THR A 383 151.777 186.434 194.281 1.00 0.00 -0.341 N +ATOM 3465 CB THR A 383 150.537 186.875 192.198 1.00 0.00 0.143 C +ATOM 3466 CG2 THR A 383 149.947 186.248 190.939 1.00 0.00 0.041 C +ATOM 3467 OG1 THR A 383 149.493 187.521 192.934 1.00 0.00 -0.389 OA +ATOM 3468 HG1 THR A 383 149.121 188.103 192.456 1.00 0.00 0.211 HD +ATOM 3469 H THR A 383 151.665 187.286 194.316 1.00 0.00 0.164 HD +ATOM 3470 C LEU A 384 155.001 183.853 191.742 1.00 0.00 0.243 C +ATOM 3471 O LEU A 384 155.609 183.036 191.055 1.00 0.00 -0.272 OA +ATOM 3472 CA LEU A 384 154.357 185.076 191.090 1.00 0.00 0.172 C +ATOM 3473 N LEU A 384 153.358 185.694 191.956 1.00 0.00 -0.345 N +ATOM 3474 CB LEU A 384 155.436 186.094 190.694 1.00 0.00 0.038 C +ATOM 3475 CG LEU A 384 156.455 186.566 191.737 1.00 0.00 -0.015 C +ATOM 3476 CD1 LEU A 384 157.657 185.633 191.824 1.00 0.00 0.007 C +ATOM 3477 CD2 LEU A 384 156.915 187.975 191.412 1.00 0.00 0.007 C +ATOM 3478 H LEU A 384 153.564 186.482 192.232 1.00 0.00 0.165 HD +ATOM 3479 C TYR A 385 154.667 181.358 193.872 1.00 0.00 0.243 C +ATOM 3480 O TYR A 385 155.037 180.419 194.573 1.00 0.00 -0.272 OA +ATOM 3481 CA TYR A 385 155.519 182.626 193.775 1.00 0.00 0.175 C +ATOM 3482 N TYR A 385 154.860 183.717 193.059 1.00 0.00 -0.343 N +ATOM 3483 CB TYR A 385 155.927 183.076 195.179 1.00 0.00 0.070 C +ATOM 3484 CG TYR A 385 157.392 182.829 195.465 1.00 0.00 -0.045 A +ATOM 3485 CD1 TYR A 385 157.894 181.537 195.529 1.00 0.00 0.007 A +ATOM 3486 CD2 TYR A 385 158.274 183.886 195.653 1.00 0.00 0.007 A +ATOM 3487 CE1 TYR A 385 159.227 181.303 195.779 1.00 0.00 0.046 A +ATOM 3488 CE2 TYR A 385 159.611 183.660 195.905 1.00 0.00 0.046 A +ATOM 3489 CZ TYR A 385 160.083 182.365 195.966 1.00 0.00 0.115 A +ATOM 3490 OH TYR A 385 161.415 182.129 196.216 1.00 0.00 -0.507 OA +ATOM 3491 HH TYR A 385 161.823 182.857 196.310 1.00 0.00 0.294 HD +ATOM 3492 H TYR A 385 154.393 184.238 193.559 1.00 0.00 0.164 HD +ATOM 3493 C HIS A 386 153.366 179.082 192.183 1.00 0.00 0.242 C +ATOM 3494 O HIS A 386 152.832 178.797 191.113 1.00 0.00 -0.272 OA +ATOM 3495 CA HIS A 386 152.732 180.101 193.127 1.00 0.00 0.177 C +ATOM 3496 N HIS A 386 153.540 181.317 193.169 1.00 0.00 -0.343 N +ATOM 3497 CB HIS A 386 151.300 180.410 192.694 1.00 0.00 0.093 C +ATOM 3498 CG HIS A 386 150.523 181.194 193.703 1.00 0.00 0.061 A +ATOM 3499 ND1 HIS A 386 149.337 180.746 194.246 1.00 0.00 -0.242 NA +ATOM 3500 CD2 HIS A 386 150.768 182.395 194.277 1.00 0.00 0.107 A +ATOM 3501 CE1 HIS A 386 148.884 181.641 195.105 1.00 0.00 0.196 A +ATOM 3502 NE2 HIS A 386 149.733 182.651 195.142 1.00 0.00 -0.350 N +ATOM 3503 HE2 HIS A 386 149.653 183.355 195.630 1.00 0.00 0.167 HD +ATOM 3504 H HIS A 386 153.223 181.972 192.710 1.00 0.00 0.164 HD +ATOM 3505 C TRP A 387 154.776 176.169 191.939 1.00 0.00 0.242 C +ATOM 3506 O TRP A 387 155.552 175.276 192.267 1.00 0.00 -0.272 OA +ATOM 3507 CA TRP A 387 155.273 177.599 191.776 1.00 0.00 0.175 C +ATOM 3508 N TRP A 387 154.511 178.540 192.594 1.00 0.00 -0.343 N +ATOM 3509 CB TRP A 387 156.759 177.644 192.144 1.00 0.00 0.072 C +ATOM 3510 CG TRP A 387 157.421 178.968 191.967 1.00 0.00 -0.020 A +ATOM 3511 CD1 TRP A 387 156.926 180.059 191.317 1.00 0.00 0.087 A +ATOM 3512 CD2 TRP A 387 158.715 179.341 192.450 1.00 0.00 0.003 A +ATOM 3513 NE1 TRP A 387 157.832 181.090 191.368 1.00 0.00 -0.359 N +ATOM 3514 CE2 TRP A 387 158.940 180.673 192.058 1.00 0.00 0.046 A +ATOM 3515 CE3 TRP A 387 159.706 178.676 193.178 1.00 0.00 0.010 A +ATOM 3516 HE1 TRP A 387 157.722 181.870 191.022 1.00 0.00 0.166 HD +ATOM 3517 CZ2 TRP A 387 160.112 181.353 192.369 1.00 0.00 0.026 A +ATOM 3518 CZ3 TRP A 387 160.867 179.351 193.485 1.00 0.00 0.001 A +ATOM 3519 CH2 TRP A 387 161.062 180.675 193.081 1.00 0.00 0.002 A +ATOM 3520 H TRP A 387 154.873 178.705 193.356 1.00 0.00 0.164 HD +ATOM 3521 C HIS A 388 153.280 173.613 190.796 1.00 0.00 0.242 C +ATOM 3522 O HIS A 388 153.159 172.406 191.000 1.00 0.00 -0.272 OA +ATOM 3523 CA HIS A 388 152.925 174.613 191.906 1.00 0.00 0.177 C +ATOM 3524 N HIS A 388 153.491 175.942 191.709 1.00 0.00 -0.343 N +ATOM 3525 CB HIS A 388 151.411 174.730 192.063 1.00 0.00 0.090 C +ATOM 3526 CG HIS A 388 151.003 175.440 193.315 1.00 0.00 0.037 A +ATOM 3527 ND1 HIS A 388 150.498 176.721 193.315 1.00 0.00 -0.347 N +ATOM 3528 CD2 HIS A 388 151.062 175.059 194.613 1.00 0.00 0.134 A +ATOM 3529 HD1 HIS A 388 150.361 177.202 192.615 1.00 0.00 0.167 HD +ATOM 3530 CE1 HIS A 388 150.248 177.093 194.558 1.00 0.00 0.196 A +ATOM 3531 NE2 HIS A 388 150.580 176.102 195.366 1.00 0.00 -0.245 NA +ATOM 3532 H HIS A 388 152.928 176.534 191.440 1.00 0.00 0.164 HD +ATOM 3533 C PRO A 389 155.538 172.411 189.195 1.00 0.00 0.243 C +ATOM 3534 O PRO A 389 155.950 171.426 188.586 1.00 0.00 -0.271 OA +ATOM 3535 CA PRO A 389 154.293 173.138 188.673 1.00 0.00 0.175 C +ATOM 3536 N PRO A 389 153.719 174.098 189.621 1.00 0.00 -0.329 N +ATOM 3537 CB PRO A 389 154.650 174.014 187.471 1.00 0.00 0.037 C +ATOM 3538 CG PRO A 389 153.665 175.114 187.513 1.00 0.00 0.024 C +ATOM 3539 CD PRO A 389 153.406 175.383 188.967 1.00 0.00 0.121 C +ATOM 3540 C LEU A 390 156.883 170.812 191.365 1.00 0.00 0.243 C +ATOM 3541 O LEU A 390 157.709 169.899 191.378 1.00 0.00 -0.272 OA +ATOM 3542 CA LEU A 390 157.266 172.208 190.902 1.00 0.00 0.172 C +ATOM 3543 N LEU A 390 156.131 172.892 190.283 1.00 0.00 -0.345 N +ATOM 3544 CB LEU A 390 157.794 172.997 192.104 1.00 0.00 0.038 C +ATOM 3545 CG LEU A 390 158.769 174.153 191.881 1.00 0.00 -0.015 C +ATOM 3546 CD1 LEU A 390 159.000 174.875 193.194 1.00 0.00 0.007 C +ATOM 3547 CD2 LEU A 390 160.085 173.650 191.316 1.00 0.00 0.007 C +ATOM 3548 H LEU A 390 155.896 173.615 190.684 1.00 0.00 0.165 HD +ATOM 3549 C LEU A 391 155.139 168.241 191.514 1.00 0.00 0.243 C +ATOM 3550 O LEU A 391 154.721 168.355 190.363 1.00 0.00 -0.272 OA +ATOM 3551 CA LEU A 391 155.183 169.456 192.443 1.00 0.00 0.172 C +ATOM 3552 N LEU A 391 155.625 170.659 191.756 1.00 0.00 -0.345 N +ATOM 3553 CB LEU A 391 153.811 169.695 193.060 1.00 0.00 0.038 C +ATOM 3554 CG LEU A 391 153.748 170.789 194.125 1.00 0.00 -0.015 C +ATOM 3555 CD1 LEU A 391 152.305 171.178 194.400 1.00 0.00 0.007 C +ATOM 3556 CD2 LEU A 391 154.429 170.328 195.407 1.00 0.00 0.007 C +ATOM 3557 H LEU A 391 155.004 171.241 191.633 1.00 0.00 0.165 HD +ATOM 3558 C PRO A 392 154.204 165.198 191.087 1.00 0.00 0.243 C +ATOM 3559 O PRO A 392 153.240 165.707 191.655 1.00 0.00 -0.271 OA +ATOM 3560 CA PRO A 392 155.579 165.850 191.193 1.00 0.00 0.175 C +ATOM 3561 N PRO A 392 155.564 167.066 192.014 1.00 0.00 -0.329 N +ATOM 3562 CB PRO A 392 156.556 164.946 191.943 1.00 0.00 0.037 C +ATOM 3563 CG PRO A 392 156.388 165.338 193.371 1.00 0.00 0.024 C +ATOM 3564 CD PRO A 392 156.048 166.805 193.383 1.00 0.00 0.121 C +ATOM 3565 C ASP A 393 152.664 162.498 191.515 1.00 0.00 0.242 C +ATOM 3566 O ASP A 393 151.546 162.371 192.011 1.00 0.00 -0.273 OA +ATOM 3567 CA ASP A 393 152.872 163.335 190.259 1.00 0.00 0.176 C +ATOM 3568 N ASP A 393 154.119 164.085 190.365 1.00 0.00 -0.343 N +ATOM 3569 CB ASP A 393 152.879 162.441 189.019 1.00 0.00 0.087 C +ATOM 3570 CG ASP A 393 152.957 163.232 187.731 1.00 0.00 0.044 C +ATOM 3571 OD1 ASP A 393 152.315 164.300 187.645 1.00 0.00 -0.548 OA +ATOM 3572 OD2 ASP A 393 153.664 162.787 186.804 1.00 0.00 -0.549 OA +ATOM 3573 H ASP A 393 154.773 163.741 189.924 1.00 0.00 0.164 HD +ATOM 3574 C THR A 394 154.969 161.604 194.094 1.00 0.00 0.245 C +ATOM 3575 O THR A 394 155.959 162.082 193.543 1.00 0.00 -0.273 OA +ATOM 3576 CA THR A 394 153.748 161.204 193.280 1.00 0.00 0.199 C +ATOM 3577 N THR A 394 153.754 161.924 192.013 1.00 0.00 -0.341 N +ATOM 3578 CB THR A 394 153.753 159.674 193.083 1.00 0.00 0.143 C +ATOM 3579 CG2 THR A 394 152.571 159.236 192.235 1.00 0.00 0.041 C +ATOM 3580 OG1 THR A 394 154.973 159.274 192.446 1.00 0.00 -0.389 OA +ATOM 3581 HG1 THR A 394 154.980 158.442 192.336 1.00 0.00 0.211 HD +ATOM 3582 H THR A 394 154.523 161.939 191.629 1.00 0.00 0.164 HD +ATOM 3583 C PHE A 395 156.695 160.368 196.658 1.00 0.00 0.243 C +ATOM 3584 O PHE A 395 156.074 159.475 197.235 1.00 0.00 -0.272 OA +ATOM 3585 CA PHE A 395 156.012 161.677 196.294 1.00 0.00 0.175 C +ATOM 3586 N PHE A 395 154.889 161.411 195.405 1.00 0.00 -0.343 N +ATOM 3587 CB PHE A 395 155.540 162.406 197.552 1.00 0.00 0.070 C +ATOM 3588 CG PHE A 395 154.830 163.694 197.266 1.00 0.00 -0.045 A +ATOM 3589 CD1 PHE A 395 153.475 163.703 196.989 1.00 0.00 0.004 A +ATOM 3590 CD2 PHE A 395 155.518 164.894 197.266 1.00 0.00 0.004 A +ATOM 3591 CE1 PHE A 395 152.819 164.883 196.722 1.00 0.00 0.000 A +ATOM 3592 CE2 PHE A 395 154.864 166.079 196.999 1.00 0.00 0.000 A +ATOM 3593 CZ PHE A 395 153.512 166.073 196.727 1.00 0.00 0.000 A +ATOM 3594 H PHE A 395 154.187 161.122 195.809 1.00 0.00 0.164 HD +ATOM 3595 C GLN A 396 159.658 159.117 197.713 1.00 0.00 0.242 C +ATOM 3596 O GLN A 396 160.744 159.683 197.614 1.00 0.00 -0.273 OA +ATOM 3597 CA GLN A 396 158.722 159.026 196.515 1.00 0.00 0.171 C +ATOM 3598 N GLN A 396 157.974 160.261 196.311 1.00 0.00 -0.343 N +ATOM 3599 CB GLN A 396 159.523 158.676 195.262 1.00 0.00 0.045 C +ATOM 3600 CG GLN A 396 158.659 158.266 194.078 1.00 0.00 0.102 C +ATOM 3601 CD GLN A 396 158.825 159.182 192.881 1.00 0.00 0.217 C +ATOM 3602 OE1 GLN A 396 159.941 159.559 192.521 1.00 0.00 -0.275 OA +ATOM 3603 NE2 GLN A 396 157.711 159.547 192.258 1.00 0.00 -0.368 N +ATOM 3604 HE22 GLN A 396 156.949 159.264 192.539 1.00 0.00 0.159 HD +ATOM 3605 HE21 GLN A 396 157.751 160.066 191.574 1.00 0.00 0.159 HD +ATOM 3606 H GLN A 396 158.433 160.893 195.952 1.00 0.00 0.164 HD +ATOM 3607 C ILE A 397 160.613 157.030 200.128 1.00 0.00 0.243 C +ATOM 3608 O ILE A 397 159.848 156.077 200.262 1.00 0.00 -0.272 OA +ATOM 3609 CA ILE A 397 160.069 158.448 200.029 1.00 0.00 0.174 C +ATOM 3610 N ILE A 397 159.227 158.557 198.840 1.00 0.00 -0.343 N +ATOM 3611 CB ILE A 397 159.307 158.776 201.327 1.00 0.00 0.018 C +ATOM 3612 CG2 ILE A 397 160.292 159.161 202.426 1.00 0.00 0.010 C +ATOM 3613 CG1 ILE A 397 158.268 159.879 201.097 1.00 0.00 0.002 C +ATOM 3614 CD1 ILE A 397 158.845 161.177 200.605 1.00 0.00 0.004 C +ATOM 3615 H ILE A 397 158.439 158.228 198.943 1.00 0.00 0.164 HD +ATOM 3616 C HIS A 398 162.058 154.762 198.905 1.00 0.00 0.242 C +ATOM 3617 O HIS A 398 162.044 155.248 197.775 1.00 0.00 -0.272 OA +ATOM 3618 CA HIS A 398 162.575 155.590 200.089 1.00 0.00 0.177 C +ATOM 3619 N HIS A 398 161.934 156.898 200.067 1.00 0.00 -0.343 N +ATOM 3620 CB HIS A 398 162.323 154.893 201.431 1.00 0.00 0.090 C +ATOM 3621 CG HIS A 398 163.341 153.851 201.774 1.00 0.00 0.037 A +ATOM 3622 ND1 HIS A 398 164.695 154.053 201.616 1.00 0.00 -0.347 N +ATOM 3623 CD2 HIS A 398 163.205 152.601 202.277 1.00 0.00 0.134 A +ATOM 3624 HD1 HIS A 398 165.058 154.771 201.311 1.00 0.00 0.167 HD +ATOM 3625 CE1 HIS A 398 165.349 152.972 202.001 1.00 0.00 0.196 A +ATOM 3626 NE2 HIS A 398 164.468 152.076 202.407 1.00 0.00 -0.245 NA +ATOM 3627 H HIS A 398 162.484 157.556 200.012 1.00 0.00 0.164 HD +ATOM 3628 C ASP A 399 159.583 152.687 198.032 1.00 0.00 0.242 C +ATOM 3629 O ASP A 399 158.958 151.700 197.640 1.00 0.00 -0.273 OA +ATOM 3630 CA ASP A 399 161.113 152.665 198.094 1.00 0.00 0.176 C +ATOM 3631 N ASP A 399 161.629 153.528 199.154 1.00 0.00 -0.343 N +ATOM 3632 CB ASP A 399 161.604 151.229 198.295 1.00 0.00 0.087 C +ATOM 3633 CG ASP A 399 161.319 150.704 199.691 1.00 0.00 0.044 C +ATOM 3634 OD1 ASP A 399 160.663 151.420 200.476 1.00 0.00 -0.548 OA +ATOM 3635 OD2 ASP A 399 161.748 149.572 200.000 1.00 0.00 -0.549 OA +ATOM 3636 H ASP A 399 161.626 153.165 199.934 1.00 0.00 0.164 HD +ATOM 3637 C GLN A 400 157.084 155.160 197.596 1.00 0.00 0.242 C +ATOM 3638 O GLN A 400 157.759 156.181 197.564 1.00 0.00 -0.273 OA +ATOM 3639 CA GLN A 400 157.533 153.959 198.415 1.00 0.00 0.171 C +ATOM 3640 N GLN A 400 158.987 153.813 198.419 1.00 0.00 -0.343 N +ATOM 3641 CB GLN A 400 157.001 154.096 199.841 1.00 0.00 0.045 C +ATOM 3642 CG GLN A 400 157.292 152.900 200.726 1.00 0.00 0.102 C +ATOM 3643 CD GLN A 400 156.127 152.552 201.629 1.00 0.00 0.217 C +ATOM 3644 OE1 GLN A 400 155.020 152.286 201.158 1.00 0.00 -0.275 OA +ATOM 3645 NE2 GLN A 400 156.368 152.557 202.934 1.00 0.00 -0.368 N +ATOM 3646 HE22 GLN A 400 157.153 152.750 203.226 1.00 0.00 0.159 HD +ATOM 3647 HE21 GLN A 400 155.739 152.366 203.488 1.00 0.00 0.159 HD +ATOM 3648 H GLN A 400 159.406 154.513 198.690 1.00 0.00 0.164 HD +ATOM 3649 C LYS A 401 154.053 156.553 197.010 1.00 0.00 0.242 C +ATOM 3650 O LYS A 401 153.342 155.720 197.571 1.00 0.00 -0.273 OA +ATOM 3651 CA LYS A 401 155.289 156.116 196.232 1.00 0.00 0.171 C +ATOM 3652 N LYS A 401 155.941 155.016 196.933 1.00 0.00 -0.344 N +ATOM 3653 CB LYS A 401 154.894 155.707 194.810 1.00 0.00 0.035 C +ATOM 3654 CG LYS A 401 156.021 155.756 193.788 1.00 0.00 0.008 C +ATOM 3655 CD LYS A 401 155.586 155.114 192.476 1.00 0.00 0.061 C +ATOM 3656 CE LYS A 401 156.591 155.347 191.357 1.00 0.00 0.258 C +ATOM 3657 NZ LYS A 401 156.495 156.718 190.782 1.00 0.00 -0.357 N +ATOM 3658 HZ1 LYS A 401 157.095 156.818 190.133 1.00 0.00 0.345 HD +ATOM 3659 HZ2 LYS A 401 155.681 156.851 190.447 1.00 0.00 0.345 HD +ATOM 3660 HZ3 LYS A 401 156.649 157.324 191.415 1.00 0.00 0.345 HD +ATOM 3661 H LYS A 401 155.514 154.272 196.874 1.00 0.00 0.164 HD +ATOM 3662 C TYR A 402 151.923 159.391 196.757 1.00 0.00 0.243 C +ATOM 3663 O TYR A 402 152.540 160.347 196.290 1.00 0.00 -0.272 OA +ATOM 3664 CA TYR A 402 152.614 158.405 197.683 1.00 0.00 0.175 C +ATOM 3665 N TYR A 402 153.810 157.859 197.051 1.00 0.00 -0.343 N +ATOM 3666 CB TYR A 402 152.955 159.109 198.998 1.00 0.00 0.070 C +ATOM 3667 CG TYR A 402 153.558 158.221 200.059 1.00 0.00 -0.045 A +ATOM 3668 CD1 TYR A 402 152.766 157.344 200.788 1.00 0.00 0.007 A +ATOM 3669 CD2 TYR A 402 154.914 158.275 200.347 1.00 0.00 0.007 A +ATOM 3670 CE1 TYR A 402 153.311 156.537 201.764 1.00 0.00 0.046 A +ATOM 3671 CE2 TYR A 402 155.467 157.472 201.322 1.00 0.00 0.046 A +ATOM 3672 CZ TYR A 402 154.659 156.607 202.026 1.00 0.00 0.115 A +ATOM 3673 OH TYR A 402 155.199 155.803 202.999 1.00 0.00 -0.507 OA +ATOM 3674 HH TYR A 402 156.025 155.942 203.060 1.00 0.00 0.294 HD +ATOM 3675 H TYR A 402 154.330 158.457 196.716 1.00 0.00 0.164 HD +ATOM 3676 C ASN A 403 149.440 161.240 196.791 1.00 0.00 0.242 C +ATOM 3677 O ASN A 403 149.778 161.162 197.971 1.00 0.00 -0.273 OA +ATOM 3678 CA ASN A 403 149.834 160.153 195.800 1.00 0.00 0.180 C +ATOM 3679 N ASN A 403 150.642 159.161 196.492 1.00 0.00 -0.342 N +ATOM 3680 CB ASN A 403 148.595 159.519 195.164 1.00 0.00 0.134 C +ATOM 3681 CG ASN A 403 147.719 158.803 196.170 1.00 0.00 0.220 C +ATOM 3682 OD1 ASN A 403 147.122 159.426 197.045 1.00 0.00 -0.275 OA +ATOM 3683 ND2 ASN A 403 147.625 157.484 196.038 1.00 0.00 -0.368 N +ATOM 3684 HD22 ASN A 403 147.140 157.031 196.585 1.00 0.00 0.159 HD +ATOM 3685 HD21 ASN A 403 148.049 157.084 195.406 1.00 0.00 0.159 HD +ATOM 3686 H ASN A 403 150.219 158.442 196.702 1.00 0.00 0.164 HD +ATOM 3687 C TYR A 404 147.429 163.098 198.271 1.00 0.00 0.243 C +ATOM 3688 O TYR A 404 147.528 163.681 199.352 1.00 0.00 -0.272 OA +ATOM 3689 CA TYR A 404 148.408 163.409 197.141 1.00 0.00 0.175 C +ATOM 3690 N TYR A 404 148.721 162.249 196.317 1.00 0.00 -0.343 N +ATOM 3691 CB TYR A 404 147.857 164.532 196.264 1.00 0.00 0.070 C +ATOM 3692 CG TYR A 404 148.938 165.236 195.486 1.00 0.00 -0.045 A +ATOM 3693 CD1 TYR A 404 149.530 164.631 194.388 1.00 0.00 0.007 A +ATOM 3694 CD2 TYR A 404 149.383 166.495 195.861 1.00 0.00 0.007 A +ATOM 3695 CE1 TYR A 404 150.524 165.263 193.680 1.00 0.00 0.046 A +ATOM 3696 CE2 TYR A 404 150.378 167.136 195.156 1.00 0.00 0.046 A +ATOM 3697 CZ TYR A 404 150.944 166.513 194.067 1.00 0.00 0.115 A +ATOM 3698 OH TYR A 404 151.935 167.141 193.357 1.00 0.00 -0.507 OA +ATOM 3699 HH TYR A 404 152.187 166.653 192.723 1.00 0.00 0.294 HD +ATOM 3700 H TYR A 404 148.402 162.287 195.519 1.00 0.00 0.164 HD +ATOM 3701 C GLN A 405 146.246 161.160 200.243 1.00 0.00 0.242 C +ATOM 3702 O GLN A 405 145.857 161.368 201.391 1.00 0.00 -0.273 OA +ATOM 3703 CA GLN A 405 145.533 161.793 199.053 1.00 0.00 0.171 C +ATOM 3704 N GLN A 405 146.493 162.188 198.026 1.00 0.00 -0.343 N +ATOM 3705 CB GLN A 405 144.498 160.819 198.486 1.00 0.00 0.045 C +ATOM 3706 CG GLN A 405 143.546 161.440 197.481 1.00 0.00 0.102 C +ATOM 3707 CD GLN A 405 142.520 160.451 196.965 1.00 0.00 0.217 C +ATOM 3708 OE1 GLN A 405 142.868 159.400 196.426 1.00 0.00 -0.275 OA +ATOM 3709 NE2 GLN A 405 141.244 160.780 197.132 1.00 0.00 -0.368 N +ATOM 3710 HE22 GLN A 405 141.038 161.522 197.517 1.00 0.00 0.159 HD +ATOM 3711 HE21 GLN A 405 140.624 160.252 196.857 1.00 0.00 0.159 HD +ATOM 3712 H GLN A 405 146.392 161.783 197.274 1.00 0.00 0.164 HD +ATOM 3713 C GLN A 406 149.043 160.635 201.698 1.00 0.00 0.242 C +ATOM 3714 O GLN A 406 149.357 160.445 202.873 1.00 0.00 -0.273 OA +ATOM 3715 CA GLN A 406 148.055 159.708 200.993 1.00 0.00 0.171 C +ATOM 3716 N GLN A 406 147.292 160.393 199.957 1.00 0.00 -0.343 N +ATOM 3717 CB GLN A 406 148.821 158.529 200.393 1.00 0.00 0.045 C +ATOM 3718 CG GLN A 406 147.954 157.475 199.736 1.00 0.00 0.102 C +ATOM 3719 CD GLN A 406 148.773 156.440 198.993 1.00 0.00 0.217 C +ATOM 3720 OE1 GLN A 406 149.149 156.641 197.839 1.00 0.00 -0.275 OA +ATOM 3721 NE2 GLN A 406 149.062 155.327 199.656 1.00 0.00 -0.368 N +ATOM 3722 HE22 GLN A 406 148.786 155.224 200.464 1.00 0.00 0.159 HD +ATOM 3723 HE21 GLN A 406 149.524 154.709 199.278 1.00 0.00 0.159 HD +ATOM 3724 H GLN A 406 147.584 160.252 199.160 1.00 0.00 0.164 HD +ATOM 3725 C PHE A 407 150.255 163.626 202.269 1.00 0.00 0.243 C +ATOM 3726 O PHE A 407 150.936 163.969 203.232 1.00 0.00 -0.272 OA +ATOM 3727 CA PHE A 407 150.666 162.428 201.416 1.00 0.00 0.175 C +ATOM 3728 N PHE A 407 149.530 161.633 200.970 1.00 0.00 -0.343 N +ATOM 3729 CB PHE A 407 151.463 162.904 200.198 1.00 0.00 0.070 C +ATOM 3730 CG PHE A 407 152.806 163.488 200.536 1.00 0.00 -0.045 A +ATOM 3731 CD1 PHE A 407 153.808 162.693 201.065 1.00 0.00 0.004 A +ATOM 3732 CD2 PHE A 407 153.071 164.827 200.304 1.00 0.00 0.004 A +ATOM 3733 CE1 PHE A 407 155.043 163.225 201.368 1.00 0.00 0.000 A +ATOM 3734 CE2 PHE A 407 154.308 165.363 200.604 1.00 0.00 0.000 A +ATOM 3735 CZ PHE A 407 155.293 164.561 201.137 1.00 0.00 0.000 A +ATOM 3736 H PHE A 407 149.216 161.872 200.206 1.00 0.00 0.164 HD +ATOM 3737 C ILE A 408 148.157 165.227 203.981 1.00 0.00 0.243 C +ATOM 3738 O ILE A 408 147.380 164.298 204.193 1.00 0.00 -0.272 OA +ATOM 3739 CA ILE A 408 148.720 165.488 202.580 1.00 0.00 0.174 C +ATOM 3740 N ILE A 408 149.138 164.254 201.922 1.00 0.00 -0.343 N +ATOM 3741 CB ILE A 408 147.685 166.238 201.707 1.00 0.00 0.018 C +ATOM 3742 CG2 ILE A 408 147.022 167.372 202.479 1.00 0.00 0.010 C +ATOM 3743 CG1 ILE A 408 148.387 166.776 200.454 1.00 0.00 0.002 C +ATOM 3744 CD1 ILE A 408 147.506 167.580 199.518 1.00 0.00 0.004 C +ATOM 3745 H ILE A 408 148.602 163.985 201.305 1.00 0.00 0.164 HD +ATOM 3746 C TYR A 409 148.571 164.657 206.988 1.00 0.00 0.243 C +ATOM 3747 O TYR A 409 148.057 164.302 208.048 1.00 0.00 -0.272 OA +ATOM 3748 CA TYR A 409 148.168 165.979 206.335 1.00 0.00 0.175 C +ATOM 3749 N TYR A 409 148.575 166.066 204.928 1.00 0.00 -0.343 N +ATOM 3750 CB TYR A 409 146.655 166.190 206.475 1.00 0.00 0.070 C +ATOM 3751 CG TYR A 409 146.231 167.631 206.328 1.00 0.00 -0.045 A +ATOM 3752 CD1 TYR A 409 146.728 168.608 207.178 1.00 0.00 0.007 A +ATOM 3753 CD2 TYR A 409 145.326 168.011 205.350 1.00 0.00 0.007 A +ATOM 3754 CE1 TYR A 409 146.346 169.926 207.050 1.00 0.00 0.046 A +ATOM 3755 CE2 TYR A 409 144.938 169.328 205.213 1.00 0.00 0.046 A +ATOM 3756 CZ TYR A 409 145.451 170.281 206.067 1.00 0.00 0.115 A +ATOM 3757 OH TYR A 409 145.066 171.593 205.937 1.00 0.00 -0.507 OA +ATOM 3758 HH TYR A 409 144.520 171.671 205.303 1.00 0.00 0.294 HD +ATOM 3759 H TYR A 409 149.115 166.718 204.776 1.00 0.00 0.164 HD +ATOM 3760 C ASN A 410 151.337 162.691 207.499 1.00 0.00 0.242 C +ATOM 3761 O ASN A 410 152.335 162.360 206.859 1.00 0.00 -0.273 OA +ATOM 3762 CA ASN A 410 149.945 162.649 206.860 1.00 0.00 0.180 C +ATOM 3763 N ASN A 410 149.514 163.952 206.371 1.00 0.00 -0.342 N +ATOM 3764 CB ASN A 410 149.920 161.633 205.714 1.00 0.00 0.134 C +ATOM 3765 CG ASN A 410 149.886 160.207 206.210 1.00 0.00 0.220 C +ATOM 3766 OD1 ASN A 410 150.332 159.919 207.313 1.00 0.00 -0.275 OA +ATOM 3767 ND2 ASN A 410 149.353 159.304 205.398 1.00 0.00 -0.368 N +ATOM 3768 HD22 ASN A 410 149.044 159.531 204.629 1.00 0.00 0.159 HD +ATOM 3769 HD21 ASN A 410 149.309 158.318 205.693 1.00 0.00 0.159 HD +ATOM 3770 H ASN A 410 149.923 164.210 205.659 1.00 0.00 0.164 HD +ATOM 3771 C ASN A 411 153.147 161.755 209.913 1.00 0.00 0.242 C +ATOM 3772 O ASN A 411 154.275 161.602 210.382 1.00 0.00 -0.273 OA +ATOM 3773 CA ASN A 411 152.670 163.140 209.487 1.00 0.00 0.180 C +ATOM 3774 N ASN A 411 151.400 163.091 208.766 1.00 0.00 -0.342 N +ATOM 3775 CB ASN A 411 152.558 164.042 210.718 1.00 0.00 0.134 C +ATOM 3776 CG ASN A 411 152.507 165.518 210.363 1.00 0.00 0.220 C +ATOM 3777 OD1 ASN A 411 153.014 165.941 209.323 1.00 0.00 -0.275 OA +ATOM 3778 ND2 ASN A 411 151.900 166.311 211.237 1.00 0.00 -0.368 N +ATOM 3779 HD22 ASN A 411 151.843 167.156 211.084 1.00 0.00 0.159 HD +ATOM 3780 HD21 ASN A 411 151.562 165.981 211.956 1.00 0.00 0.159 HD +ATOM 3781 H ASN A 411 150.721 163.340 209.232 1.00 0.00 0.164 HD +ATOM 3782 C SER A 412 153.786 158.949 209.054 1.00 0.00 0.244 C +ATOM 3783 O SER A 412 154.635 158.120 209.381 1.00 0.00 -0.272 OA +ATOM 3784 CA SER A 412 152.692 159.374 210.030 1.00 0.00 0.197 C +ATOM 3785 N SER A 412 152.293 160.749 209.757 1.00 0.00 -0.342 N +ATOM 3786 CB SER A 412 151.496 158.425 209.935 1.00 0.00 0.191 C +ATOM 3787 OG SER A 412 151.913 157.074 210.009 1.00 0.00 -0.392 OA +ATOM 3788 HG SER A 412 152.439 156.901 209.377 1.00 0.00 0.210 HD +ATOM 3789 H SER A 412 151.478 160.836 209.495 1.00 0.00 0.164 HD +ATOM 3790 C ILE A 413 156.126 159.790 207.369 1.00 0.00 0.243 C +ATOM 3791 O ILE A 413 157.173 159.186 207.137 1.00 0.00 -0.272 OA +ATOM 3792 CA ILE A 413 154.792 159.256 206.866 1.00 0.00 0.174 C +ATOM 3793 N ILE A 413 153.760 159.523 207.855 1.00 0.00 -0.343 N +ATOM 3794 CB ILE A 413 154.452 159.891 205.498 1.00 0.00 0.018 C +ATOM 3795 CG2 ILE A 413 155.605 159.697 204.509 1.00 0.00 0.010 C +ATOM 3796 CG1 ILE A 413 153.163 159.276 204.942 1.00 0.00 0.002 C +ATOM 3797 CD1 ILE A 413 152.708 159.849 203.609 1.00 0.00 0.004 C +ATOM 3798 H ILE A 413 153.152 160.072 207.591 1.00 0.00 0.164 HD +ATOM 3799 C LEU A 414 157.960 160.711 209.649 1.00 0.00 0.243 C +ATOM 3800 O LEU A 414 159.177 160.538 209.648 1.00 0.00 -0.272 OA +ATOM 3801 CA LEU A 414 157.296 161.552 208.564 1.00 0.00 0.172 C +ATOM 3802 N LEU A 414 156.082 160.920 208.066 1.00 0.00 -0.345 N +ATOM 3803 CB LEU A 414 156.989 162.953 209.100 1.00 0.00 0.038 C +ATOM 3804 CG LEU A 414 158.210 163.816 209.433 1.00 0.00 -0.015 C +ATOM 3805 CD1 LEU A 414 159.024 164.112 208.182 1.00 0.00 0.007 C +ATOM 3806 CD2 LEU A 414 157.788 165.108 210.113 1.00 0.00 0.007 C +ATOM 3807 H LEU A 414 155.359 161.341 208.265 1.00 0.00 0.165 HD +ATOM 3808 C LEU A 415 158.115 157.987 211.140 1.00 0.00 0.243 C +ATOM 3809 O LEU A 415 159.084 157.408 211.624 1.00 0.00 -0.272 OA +ATOM 3810 CA LEU A 415 157.697 159.359 211.654 1.00 0.00 0.172 C +ATOM 3811 N LEU A 415 157.164 160.190 210.579 1.00 0.00 -0.345 N +ATOM 3812 CB LEU A 415 156.672 159.191 212.775 1.00 0.00 0.038 C +ATOM 3813 CG LEU A 415 156.200 160.451 213.501 1.00 0.00 -0.015 C +ATOM 3814 CD1 LEU A 415 155.294 160.058 214.653 1.00 0.00 0.007 C +ATOM 3815 CD2 LEU A 415 157.373 161.281 213.998 1.00 0.00 0.007 C +ATOM 3816 H LEU A 415 156.312 160.303 210.609 1.00 0.00 0.165 HD +ATOM 3817 C GLU A 416 159.052 156.103 208.983 1.00 0.00 0.242 C +ATOM 3818 O GLU A 416 159.810 155.170 209.243 1.00 0.00 -0.273 OA +ATOM 3819 CA GLU A 416 157.654 156.162 209.592 1.00 0.00 0.171 C +ATOM 3820 N GLU A 416 157.374 157.474 210.164 1.00 0.00 -0.344 N +ATOM 3821 CB GLU A 416 156.606 155.812 208.531 1.00 0.00 0.041 C +ATOM 3822 CG GLU A 416 156.835 154.474 207.839 1.00 0.00 0.055 C +ATOM 3823 CD GLU A 416 155.830 154.203 206.737 1.00 0.00 0.041 C +ATOM 3824 OE1 GLU A 416 154.941 155.052 206.516 1.00 0.00 -0.548 OA +ATOM 3825 OE2 GLU A 416 155.930 153.140 206.090 1.00 0.00 -0.549 OA +ATOM 3826 H GLU A 416 156.696 157.870 209.812 1.00 0.00 0.164 HD +ATOM 3827 C HIS A 417 161.754 157.889 208.193 1.00 0.00 0.242 C +ATOM 3828 O HIS A 417 162.935 157.565 208.073 1.00 0.00 -0.272 OA +ATOM 3829 CA HIS A 417 160.660 157.119 207.456 1.00 0.00 0.177 C +ATOM 3830 N HIS A 417 159.391 157.106 208.178 1.00 0.00 -0.343 N +ATOM 3831 CB HIS A 417 160.460 157.715 206.064 1.00 0.00 0.090 C +ATOM 3832 CG HIS A 417 159.618 156.866 205.165 1.00 0.00 0.037 A +ATOM 3833 ND1 HIS A 417 160.147 155.867 204.377 1.00 0.00 -0.347 N +ATOM 3834 CD2 HIS A 417 158.284 156.860 204.935 1.00 0.00 0.134 A +ATOM 3835 HD1 HIS A 417 160.980 155.657 204.333 1.00 0.00 0.167 HD +ATOM 3836 CE1 HIS A 417 159.176 155.286 203.697 1.00 0.00 0.196 A +ATOM 3837 NE2 HIS A 417 158.036 155.868 204.019 1.00 0.00 -0.245 NA +ATOM 3838 H HIS A 417 158.900 157.796 208.032 1.00 0.00 0.164 HD +ATOM 3839 C GLY A 418 162.873 160.828 208.774 1.00 0.00 0.239 C +ATOM 3840 O GLY A 418 162.733 160.772 207.552 1.00 0.00 -0.273 OA +ATOM 3841 CA GLY A 418 162.313 159.735 209.666 1.00 0.00 0.216 C +ATOM 3842 N GLY A 418 161.359 158.906 208.951 1.00 0.00 -0.346 N +ATOM 3843 H GLY A 418 160.539 159.136 209.067 1.00 0.00 0.164 HD +ATOM 3844 C ILE A 419 165.139 162.596 207.703 1.00 0.00 0.243 C +ATOM 3845 O ILE A 419 165.184 163.065 206.568 1.00 0.00 -0.272 OA +ATOM 3846 CA ILE A 419 164.005 162.983 208.649 1.00 0.00 0.174 C +ATOM 3847 N ILE A 419 163.508 161.823 209.384 1.00 0.00 -0.343 N +ATOM 3848 CB ILE A 419 164.504 164.094 209.601 1.00 0.00 0.018 C +ATOM 3849 CG2 ILE A 419 165.040 165.287 208.804 1.00 0.00 0.010 C +ATOM 3850 CG1 ILE A 419 163.390 164.534 210.564 1.00 0.00 0.002 C +ATOM 3851 CD1 ILE A 419 162.347 165.457 209.965 1.00 0.00 0.004 C +ATOM 3852 H ILE A 419 163.666 161.851 210.229 1.00 0.00 0.164 HD +ATOM 3853 C THR A 420 166.757 160.795 206.022 1.00 0.00 0.245 C +ATOM 3854 O THR A 420 167.273 161.210 204.985 1.00 0.00 -0.273 OA +ATOM 3855 CA THR A 420 167.199 161.331 207.377 1.00 0.00 0.199 C +ATOM 3856 N THR A 420 166.052 161.753 208.177 1.00 0.00 -0.341 N +ATOM 3857 CB THR A 420 168.027 160.247 208.098 1.00 0.00 0.143 C +ATOM 3858 CG2 THR A 420 169.221 159.812 207.248 1.00 0.00 0.041 C +ATOM 3859 OG1 THR A 420 168.502 160.758 209.349 1.00 0.00 -0.389 OA +ATOM 3860 HG1 THR A 420 168.986 161.433 209.219 1.00 0.00 0.211 HD +ATOM 3861 H THR A 420 166.031 161.409 208.965 1.00 0.00 0.164 HD +ATOM 3862 C GLN A 421 164.606 160.345 203.937 1.00 0.00 0.242 C +ATOM 3863 O GLN A 421 164.733 160.331 202.713 1.00 0.00 -0.273 OA +ATOM 3864 CA GLN A 421 165.287 159.291 204.801 1.00 0.00 0.171 C +ATOM 3865 N GLN A 421 165.796 159.877 206.035 1.00 0.00 -0.343 N +ATOM 3866 CB GLN A 421 164.309 158.156 205.103 1.00 0.00 0.045 C +ATOM 3867 CG GLN A 421 163.839 157.410 203.863 1.00 0.00 0.102 C +ATOM 3868 CD GLN A 421 164.947 156.601 203.223 1.00 0.00 0.217 C +ATOM 3869 OE1 GLN A 421 165.334 156.849 202.080 1.00 0.00 -0.275 OA +ATOM 3870 NE2 GLN A 421 165.466 155.624 203.959 1.00 0.00 -0.368 N +ATOM 3871 HE22 GLN A 421 165.170 155.480 204.753 1.00 0.00 0.159 HD +ATOM 3872 HE21 GLN A 421 166.098 155.135 203.640 1.00 0.00 0.159 HD +ATOM 3873 H GLN A 421 165.420 159.576 206.748 1.00 0.00 0.164 HD +ATOM 3874 C PHE A 422 164.197 163.163 203.072 1.00 0.00 0.243 C +ATOM 3875 O PHE A 422 163.975 163.467 201.903 1.00 0.00 -0.272 OA +ATOM 3876 CA PHE A 422 163.199 162.327 203.861 1.00 0.00 0.175 C +ATOM 3877 N PHE A 422 163.877 161.253 204.577 1.00 0.00 -0.343 N +ATOM 3878 CB PHE A 422 162.418 163.214 204.830 1.00 0.00 0.070 C +ATOM 3879 CG PHE A 422 160.938 162.980 204.801 1.00 0.00 -0.045 A +ATOM 3880 CD1 PHE A 422 160.402 161.791 205.263 1.00 0.00 0.004 A +ATOM 3881 CD2 PHE A 422 160.081 163.951 204.315 1.00 0.00 0.004 A +ATOM 3882 CE1 PHE A 422 159.038 161.573 205.236 1.00 0.00 0.000 A +ATOM 3883 CE2 PHE A 422 158.718 163.740 204.288 1.00 0.00 0.000 A +ATOM 3884 CZ PHE A 422 158.195 162.550 204.749 1.00 0.00 0.000 A +ATOM 3885 H PHE A 422 163.760 161.270 205.429 1.00 0.00 0.164 HD +ATOM 3886 C VAL A 423 166.935 163.487 201.904 1.00 0.00 0.243 C +ATOM 3887 O VAL A 423 167.059 163.995 200.791 1.00 0.00 -0.272 OA +ATOM 3888 CA VAL A 423 166.352 164.288 203.062 1.00 0.00 0.173 C +ATOM 3889 N VAL A 423 165.301 163.522 203.717 1.00 0.00 -0.343 N +ATOM 3890 CB VAL A 423 167.471 164.672 204.055 1.00 0.00 0.015 C +ATOM 3891 CG1 VAL A 423 168.631 165.357 203.337 1.00 0.00 0.010 C +ATOM 3892 CG2 VAL A 423 166.918 165.576 205.144 1.00 0.00 0.010 C +ATOM 3893 H VAL A 423 165.466 163.333 204.540 1.00 0.00 0.164 HD +ATOM 3894 C GLU A 424 166.938 161.218 199.947 1.00 0.00 0.242 C +ATOM 3895 O GLU A 424 167.399 161.176 198.807 1.00 0.00 -0.273 OA +ATOM 3896 CA GLU A 424 167.859 161.356 201.157 1.00 0.00 0.171 C +ATOM 3897 N GLU A 424 167.287 162.234 202.174 1.00 0.00 -0.344 N +ATOM 3898 CB GLU A 424 168.147 159.972 201.748 1.00 0.00 0.041 C +ATOM 3899 CG GLU A 424 169.292 159.950 202.752 1.00 0.00 0.055 C +ATOM 3900 CD GLU A 424 169.492 158.584 203.388 1.00 0.00 0.041 C +ATOM 3901 OE1 GLU A 424 168.698 157.663 203.099 1.00 0.00 -0.548 OA +ATOM 3902 OE2 GLU A 424 170.446 158.432 204.180 1.00 0.00 -0.549 OA +ATOM 3903 H GLU A 424 167.205 161.865 202.946 1.00 0.00 0.164 HD +ATOM 3904 C SER A 425 164.357 162.225 198.360 1.00 0.00 0.244 C +ATOM 3905 O SER A 425 164.320 162.206 197.131 1.00 0.00 -0.272 OA +ATOM 3906 CA SER A 425 164.654 160.947 199.147 1.00 0.00 0.197 C +ATOM 3907 N SER A 425 165.636 161.160 200.203 1.00 0.00 -0.342 N +ATOM 3908 CB SER A 425 163.361 160.390 199.742 1.00 0.00 0.191 C +ATOM 3909 OG SER A 425 163.584 159.133 200.358 1.00 0.00 -0.392 OA +ATOM 3910 HG SER A 425 164.147 159.211 200.975 1.00 0.00 0.210 HD +ATOM 3911 H SER A 425 165.293 161.241 200.987 1.00 0.00 0.164 HD +ATOM 3912 C PHE A 426 165.011 165.131 197.623 1.00 0.00 0.243 C +ATOM 3913 O PHE A 426 164.823 165.821 196.625 1.00 0.00 -0.272 OA +ATOM 3914 CA PHE A 426 163.831 164.603 198.424 1.00 0.00 0.175 C +ATOM 3915 N PHE A 426 164.139 163.328 199.069 1.00 0.00 -0.343 N +ATOM 3916 CB PHE A 426 163.410 165.652 199.459 1.00 0.00 0.070 C +ATOM 3917 CG PHE A 426 162.026 165.449 200.019 1.00 0.00 -0.045 A +ATOM 3918 CD1 PHE A 426 161.234 164.387 199.613 1.00 0.00 0.004 A +ATOM 3919 CD2 PHE A 426 161.514 166.336 200.949 1.00 0.00 0.004 A +ATOM 3920 CE1 PHE A 426 159.966 164.211 200.129 1.00 0.00 0.000 A +ATOM 3921 CE2 PHE A 426 160.245 166.165 201.468 1.00 0.00 0.000 A +ATOM 3922 CZ PHE A 426 159.471 165.100 201.056 1.00 0.00 0.000 A +ATOM 3923 H PHE A 426 164.163 163.366 199.928 1.00 0.00 0.164 HD +ATOM 3924 C THR A 427 167.497 164.598 195.968 1.00 0.00 0.245 C +ATOM 3925 O THR A 427 167.976 165.210 195.014 1.00 0.00 -0.273 OA +ATOM 3926 CA THR A 427 167.421 165.244 197.349 1.00 0.00 0.199 C +ATOM 3927 N THR A 427 166.225 164.811 198.058 1.00 0.00 -0.341 N +ATOM 3928 CB THR A 427 168.698 164.900 198.137 1.00 0.00 0.143 C +ATOM 3929 CG2 THR A 427 169.936 165.472 197.451 1.00 0.00 0.041 C +ATOM 3930 OG1 THR A 427 168.602 165.435 199.463 1.00 0.00 -0.389 OA +ATOM 3931 HG1 THR A 427 167.937 165.107 199.858 1.00 0.00 0.211 HD +ATOM 3932 H THR A 427 166.382 164.343 198.762 1.00 0.00 0.164 HD +ATOM 3933 C ARG A 428 165.929 162.761 193.701 1.00 0.00 0.242 C +ATOM 3934 O ARG A 428 166.033 162.465 192.511 1.00 0.00 -0.273 OA +ATOM 3935 CA ARG A 428 167.121 162.582 194.641 1.00 0.00 0.171 C +ATOM 3936 N ARG A 428 167.011 163.364 195.870 1.00 0.00 -0.344 N +ATOM 3937 CB ARG A 428 167.275 161.096 194.976 1.00 0.00 0.038 C +ATOM 3938 CG ARG A 428 168.577 160.745 195.684 1.00 0.00 0.040 C +ATOM 3939 CD ARG A 428 168.615 159.273 196.057 1.00 0.00 0.197 C +ATOM 3940 NE ARG A 428 167.565 158.929 197.019 1.00 0.00 -0.278 N +ATOM 3941 HE ARG A 428 167.423 159.481 197.663 1.00 0.00 0.260 HD +ATOM 3942 CZ ARG A 428 166.814 157.831 196.977 1.00 0.00 0.339 C +ATOM 3943 NH1 ARG A 428 166.972 156.931 196.014 1.00 0.00 -0.290 N +ATOM 3944 NH2 ARG A 428 165.892 157.630 197.909 1.00 0.00 -0.290 N +ATOM 3945 HH12 ARG A 428 167.567 157.053 195.405 1.00 0.00 0.256 HD +ATOM 3946 HH11 ARG A 428 166.479 156.227 195.999 1.00 0.00 0.256 HD +ATOM 3947 HH22 ARG A 428 165.782 158.207 198.537 1.00 0.00 0.256 HD +ATOM 3948 HH21 ARG A 428 165.404 156.922 197.886 1.00 0.00 0.256 HD +ATOM 3949 H ARG A 428 166.609 162.953 196.508 1.00 0.00 0.164 HD +ATOM 3950 C GLN A 429 163.593 164.749 192.700 1.00 0.00 0.242 C +ATOM 3951 O GLN A 429 163.823 165.786 193.317 1.00 0.00 -0.273 OA +ATOM 3952 CA GLN A 429 163.604 163.401 193.407 1.00 0.00 0.171 C +ATOM 3953 N GLN A 429 164.801 163.233 194.228 1.00 0.00 -0.343 N +ATOM 3954 CB GLN A 429 162.334 163.254 194.247 1.00 0.00 0.045 C +ATOM 3955 CG GLN A 429 161.067 163.536 193.444 1.00 0.00 0.102 C +ATOM 3956 CD GLN A 429 159.837 162.843 193.996 1.00 0.00 0.217 C +ATOM 3957 OE1 GLN A 429 159.827 162.373 195.132 1.00 0.00 -0.275 OA +ATOM 3958 NE2 GLN A 429 158.789 162.775 193.184 1.00 0.00 -0.368 N +ATOM 3959 HE22 GLN A 429 158.833 163.113 192.395 1.00 0.00 0.159 HD +ATOM 3960 HE21 GLN A 429 158.065 162.392 193.447 1.00 0.00 0.159 HD +ATOM 3961 H GLN A 429 164.703 163.461 195.051 1.00 0.00 0.164 HD +ATOM 3962 C ILE A 430 161.996 166.683 190.698 1.00 0.00 0.243 C +ATOM 3963 O ILE A 430 160.930 166.084 190.831 1.00 0.00 -0.272 OA +ATOM 3964 CA ILE A 430 163.312 165.917 190.573 1.00 0.00 0.174 C +ATOM 3965 N ILE A 430 163.308 164.720 191.404 1.00 0.00 -0.343 N +ATOM 3966 CB ILE A 430 163.566 165.549 189.086 1.00 0.00 0.018 C +ATOM 3967 CG2 ILE A 430 162.382 164.779 188.498 1.00 0.00 0.010 C +ATOM 3968 CG1 ILE A 430 163.871 166.793 188.251 1.00 0.00 0.002 C +ATOM 3969 CD1 ILE A 430 165.263 167.315 188.425 1.00 0.00 0.004 C +ATOM 3970 H ILE A 430 163.106 164.003 190.973 1.00 0.00 0.164 HD +ATOM 3971 C ALA A 431 160.503 169.166 189.199 1.00 0.00 0.243 C +ATOM 3972 O ALA A 431 161.244 168.859 188.268 1.00 0.00 -0.272 OA +ATOM 3973 CA ALA A 431 160.897 168.861 190.641 1.00 0.00 0.168 C +ATOM 3974 N ALA A 431 162.082 168.010 190.664 1.00 0.00 -0.344 N +ATOM 3975 CB ALA A 431 161.147 170.148 191.406 1.00 0.00 0.041 C +ATOM 3976 H ALA A 431 162.823 168.445 190.654 1.00 0.00 0.164 HD +ATOM 3977 C GLY A 432 159.213 171.499 187.270 1.00 0.00 0.239 C +ATOM 3978 O GLY A 432 159.466 172.367 188.105 1.00 0.00 -0.273 OA +ATOM 3979 CA GLY A 432 158.837 170.094 187.696 1.00 0.00 0.216 C +ATOM 3980 N GLY A 432 159.333 169.768 189.021 1.00 0.00 -0.346 N +ATOM 3981 H GLY A 432 158.804 170.000 189.659 1.00 0.00 0.164 HD +ATOM 3982 C ARG A 433 158.387 173.980 185.582 1.00 0.00 0.242 C +ATOM 3983 O ARG A 433 157.234 173.582 185.426 1.00 0.00 -0.273 OA +ATOM 3984 CA ARG A 433 159.565 173.027 185.398 1.00 0.00 0.171 C +ATOM 3985 N ARG A 433 159.246 171.720 185.960 1.00 0.00 -0.344 N +ATOM 3986 CB ARG A 433 159.922 172.887 183.918 1.00 0.00 0.038 C +ATOM 3987 CG ARG A 433 160.640 174.081 183.320 1.00 0.00 0.040 C +ATOM 3988 CD ARG A 433 160.985 173.818 181.865 1.00 0.00 0.197 C +ATOM 3989 NE ARG A 433 162.035 174.705 181.373 1.00 0.00 -0.278 N +ATOM 3990 HE ARG A 433 162.300 175.340 181.890 1.00 0.00 0.260 HD +ATOM 3991 CZ ARG A 433 162.607 174.596 180.179 1.00 0.00 0.339 C +ATOM 3992 NH1 ARG A 433 162.235 173.635 179.344 1.00 0.00 -0.290 N +ATOM 3993 NH2 ARG A 433 163.557 175.447 179.818 1.00 0.00 -0.290 N +ATOM 3994 HH12 ARG A 433 161.620 173.080 179.574 1.00 0.00 0.256 HD +ATOM 3995 HH11 ARG A 433 162.608 173.567 178.572 1.00 0.00 0.256 HD +ATOM 3996 HH22 ARG A 433 163.801 176.071 180.356 1.00 0.00 0.256 HD +ATOM 3997 HH21 ARG A 433 163.926 175.376 179.045 1.00 0.00 0.256 HD +ATOM 3998 H ARG A 433 159.083 171.119 185.367 1.00 0.00 0.164 HD +ATOM 3999 C VAL A 434 157.174 176.983 185.004 1.00 0.00 0.243 C +ATOM 4000 O VAL A 434 155.976 177.058 184.727 1.00 0.00 -0.272 OA +ATOM 4001 CA VAL A 434 157.636 176.208 186.236 1.00 0.00 0.173 C +ATOM 4002 N VAL A 434 158.678 175.236 185.912 1.00 0.00 -0.343 N +ATOM 4003 CB VAL A 434 158.119 177.195 187.317 1.00 0.00 0.015 C +ATOM 4004 CG1 VAL A 434 157.087 178.295 187.559 1.00 0.00 0.010 C +ATOM 4005 CG2 VAL A 434 158.401 176.443 188.609 1.00 0.00 0.010 C +ATOM 4006 H VAL A 434 159.476 175.552 185.955 1.00 0.00 0.164 HD +ATOM 4007 C ALA A 435 157.650 177.192 181.920 1.00 0.00 0.243 C +ATOM 4008 O ALA A 435 158.040 176.039 182.102 1.00 0.00 -0.272 OA +ATOM 4009 CA ALA A 435 157.791 178.236 183.022 1.00 0.00 0.168 C +ATOM 4010 N ALA A 435 158.117 177.568 184.273 1.00 0.00 -0.344 N +ATOM 4011 CB ALA A 435 158.853 179.260 182.663 1.00 0.00 0.041 C +ATOM 4012 H ALA A 435 158.951 177.591 184.480 1.00 0.00 0.164 HD +ATOM 4013 C GLY A 436 155.497 176.195 179.500 1.00 0.00 0.239 C +ATOM 4014 O GLY A 436 155.126 175.693 178.442 1.00 0.00 -0.273 OA +ATOM 4015 CA GLY A 436 156.920 176.699 179.653 1.00 0.00 0.216 C +ATOM 4016 N GLY A 436 157.086 177.593 180.785 1.00 0.00 -0.346 N +ATOM 4017 H GLY A 436 156.788 178.388 180.648 1.00 0.00 0.164 HD +ATOM 4018 C GLY A 437 152.959 174.526 180.686 1.00 0.00 0.239 C +ATOM 4019 O GLY A 437 153.832 173.663 180.612 1.00 0.00 -0.273 OA +ATOM 4020 CA GLY A 437 153.291 175.995 180.502 1.00 0.00 0.216 C +ATOM 4021 N GLY A 437 154.706 176.316 180.561 1.00 0.00 -0.346 N +ATOM 4022 H GLY A 437 154.970 176.585 181.334 1.00 0.00 0.164 HD +ATOM 4023 C ARG A 438 151.944 171.954 181.882 1.00 0.00 0.242 C +ATOM 4024 O ARG A 438 152.415 170.924 181.402 1.00 0.00 -0.273 OA +ATOM 4025 CA ARG A 438 151.128 172.908 181.016 1.00 0.00 0.171 C +ATOM 4026 N ARG A 438 151.680 174.262 180.943 1.00 0.00 -0.344 N +ATOM 4027 CB ARG A 438 150.995 172.330 179.605 1.00 0.00 0.038 C +ATOM 4028 CG ARG A 438 150.025 173.104 178.734 1.00 0.00 0.040 C +ATOM 4029 CD ARG A 438 150.044 172.654 177.293 1.00 0.00 0.197 C +ATOM 4030 NE ARG A 438 149.056 173.388 176.507 1.00 0.00 -0.278 N +ATOM 4031 HE ARG A 438 148.595 173.993 176.909 1.00 0.00 0.260 HD +ATOM 4032 CZ ARG A 438 148.819 173.187 175.216 1.00 0.00 0.339 C +ATOM 4033 NH1 ARG A 438 149.501 172.267 174.547 1.00 0.00 -0.290 N +ATOM 4034 NH2 ARG A 438 147.897 173.908 174.594 1.00 0.00 -0.290 N +ATOM 4035 HH12 ARG A 438 150.099 171.798 174.948 1.00 0.00 0.256 HD +ATOM 4036 HH11 ARG A 438 149.344 172.139 173.711 1.00 0.00 0.256 HD +ATOM 4037 HH22 ARG A 438 147.455 174.505 175.027 1.00 0.00 0.256 HD +ATOM 4038 HH21 ARG A 438 147.743 173.779 173.758 1.00 0.00 0.256 HD +ATOM 4039 H ARG A 438 151.091 174.872 181.084 1.00 0.00 0.164 HD +ATOM 4040 C ASN A 439 152.288 171.531 185.517 1.00 0.00 0.242 C +ATOM 4041 O ASN A 439 152.944 171.082 186.457 1.00 0.00 -0.273 OA +ATOM 4042 CA ASN A 439 152.821 171.434 184.088 1.00 0.00 0.180 C +ATOM 4043 N ASN A 439 152.098 172.295 183.158 1.00 0.00 -0.342 N +ATOM 4044 CB ASN A 439 154.314 171.773 184.064 1.00 0.00 0.134 C +ATOM 4045 CG ASN A 439 155.188 170.610 184.495 1.00 0.00 0.220 C +ATOM 4046 OD1 ASN A 439 154.843 169.448 184.287 1.00 0.00 -0.275 OA +ATOM 4047 ND2 ASN A 439 156.328 170.920 185.101 1.00 0.00 -0.368 N +ATOM 4048 HD22 ASN A 439 156.858 170.296 185.365 1.00 0.00 0.159 HD +ATOM 4049 HD21 ASN A 439 156.536 171.745 185.230 1.00 0.00 0.159 HD +ATOM 4050 H ASN A 439 151.795 173.018 183.510 1.00 0.00 0.164 HD +ATOM 4051 C VAL A 440 149.738 170.787 187.219 1.00 0.00 0.243 C +ATOM 4052 O VAL A 440 148.904 170.382 186.416 1.00 0.00 -0.272 OA +ATOM 4053 CA VAL A 440 150.436 172.125 186.984 1.00 0.00 0.173 C +ATOM 4054 N VAL A 440 151.096 172.100 185.680 1.00 0.00 -0.343 N +ATOM 4055 CB VAL A 440 149.398 173.259 187.088 1.00 0.00 0.015 C +ATOM 4056 CG1 VAL A 440 148.735 173.253 188.465 1.00 0.00 0.010 C +ATOM 4057 CG2 VAL A 440 150.052 174.603 186.827 1.00 0.00 0.010 C +ATOM 4058 H VAL A 440 150.648 172.479 185.051 1.00 0.00 0.164 HD +ATOM 4059 C PRO A 441 147.904 168.958 188.756 1.00 0.00 0.243 C +ATOM 4060 O PRO A 441 147.489 169.963 189.332 1.00 0.00 -0.271 OA +ATOM 4061 CA PRO A 441 149.409 168.797 188.544 1.00 0.00 0.175 C +ATOM 4062 N PRO A 441 150.073 170.087 188.318 1.00 0.00 -0.329 N +ATOM 4063 CB PRO A 441 150.087 168.266 189.813 1.00 0.00 0.037 C +ATOM 4064 CG PRO A 441 151.342 169.055 189.955 1.00 0.00 0.024 C +ATOM 4065 CD PRO A 441 151.051 170.392 189.374 1.00 0.00 0.121 C +ATOM 4066 C PRO A 442 145.251 168.245 189.958 1.00 0.00 0.243 C +ATOM 4067 O PRO A 442 144.214 168.835 190.255 1.00 0.00 -0.271 OA +ATOM 4068 CA PRO A 442 145.641 168.062 188.494 1.00 0.00 0.175 C +ATOM 4069 N PRO A 442 147.094 167.985 188.300 1.00 0.00 -0.329 N +ATOM 4070 CB PRO A 442 145.145 166.710 187.968 1.00 0.00 0.037 C +ATOM 4071 CG PRO A 442 146.190 166.262 187.022 1.00 0.00 0.024 C +ATOM 4072 CD PRO A 442 147.485 166.769 187.567 1.00 0.00 0.121 C +ATOM 4073 C ALA A 443 145.608 169.191 192.816 1.00 0.00 0.243 C +ATOM 4074 O ALA A 443 144.726 169.423 193.642 1.00 0.00 -0.272 OA +ATOM 4075 CA ALA A 443 145.819 167.773 192.287 1.00 0.00 0.168 C +ATOM 4076 N ALA A 443 146.095 167.745 190.854 1.00 0.00 -0.344 N +ATOM 4077 CB ALA A 443 146.952 167.097 193.042 1.00 0.00 0.041 C +ATOM 4078 H ALA A 443 146.846 167.377 190.655 1.00 0.00 0.164 HD +ATOM 4079 C VAL A 444 145.812 172.415 191.659 1.00 0.00 0.243 C +ATOM 4080 O VAL A 444 146.095 173.612 191.620 1.00 0.00 -0.272 OA +ATOM 4081 CA VAL A 444 146.336 171.524 192.779 1.00 0.00 0.173 C +ATOM 4082 N VAL A 444 146.420 170.131 192.342 1.00 0.00 -0.343 N +ATOM 4083 CB VAL A 444 147.706 172.054 193.256 1.00 0.00 0.015 C +ATOM 4084 CG1 VAL A 444 148.116 171.373 194.552 1.00 0.00 0.010 C +ATOM 4085 CG2 VAL A 444 148.767 171.858 192.182 1.00 0.00 0.010 C +ATOM 4086 H VAL A 444 147.036 169.987 191.759 1.00 0.00 0.164 HD +ATOM 4087 C GLN A 445 143.632 173.742 190.096 1.00 0.00 0.242 C +ATOM 4088 O GLN A 445 143.663 174.806 189.478 1.00 0.00 -0.273 OA +ATOM 4089 CA GLN A 445 144.461 172.550 189.633 1.00 0.00 0.171 C +ATOM 4090 N GLN A 445 145.042 171.823 190.754 1.00 0.00 -0.343 N +ATOM 4091 CB GLN A 445 143.600 171.605 188.790 1.00 0.00 0.045 C +ATOM 4092 CG GLN A 445 142.690 172.307 187.795 1.00 0.00 0.102 C +ATOM 4093 CD GLN A 445 141.991 171.347 186.855 1.00 0.00 0.217 C +ATOM 4094 OE1 GLN A 445 142.396 170.194 186.709 1.00 0.00 -0.275 OA +ATOM 4095 NE2 GLN A 445 140.929 171.821 186.211 1.00 0.00 -0.368 N +ATOM 4096 HE22 GLN A 445 140.674 172.632 186.340 1.00 0.00 0.159 HD +ATOM 4097 HE21 GLN A 445 140.496 171.316 185.666 1.00 0.00 0.159 HD +ATOM 4098 H GLN A 445 144.838 170.987 190.768 1.00 0.00 0.164 HD +ATOM 4099 C LYS A 446 142.808 175.746 192.330 1.00 0.00 0.242 C +ATOM 4100 O LYS A 446 142.363 176.893 192.339 1.00 0.00 -0.273 OA +ATOM 4101 CA LYS A 446 142.016 174.615 191.687 1.00 0.00 0.171 C +ATOM 4102 N LYS A 446 142.888 173.561 191.182 1.00 0.00 -0.344 N +ATOM 4103 CB LYS A 446 141.011 174.042 192.690 1.00 0.00 0.035 C +ATOM 4104 CG LYS A 446 139.927 173.185 192.057 1.00 0.00 0.008 C +ATOM 4105 CD LYS A 446 139.015 174.012 191.148 1.00 0.00 0.061 C +ATOM 4106 CE LYS A 446 138.309 173.148 190.124 1.00 0.00 0.258 C +ATOM 4107 NZ LYS A 446 137.764 173.978 189.012 1.00 0.00 -0.357 N +ATOM 4108 HZ1 LYS A 446 137.352 173.457 188.418 1.00 0.00 0.345 HD +ATOM 4109 HZ2 LYS A 446 137.181 174.569 189.331 1.00 0.00 0.345 HD +ATOM 4110 HZ3 LYS A 446 138.425 174.413 188.605 1.00 0.00 0.345 HD +ATOM 4111 H LYS A 446 142.870 172.836 191.644 1.00 0.00 0.164 HD +ATOM 4112 C VAL A 447 145.276 177.404 192.332 1.00 0.00 0.243 C +ATOM 4113 O VAL A 447 145.323 178.616 192.534 1.00 0.00 -0.272 OA +ATOM 4114 CA VAL A 447 144.844 176.445 193.434 1.00 0.00 0.173 C +ATOM 4115 N VAL A 447 143.977 175.424 192.869 1.00 0.00 -0.343 N +ATOM 4116 CB VAL A 447 146.087 175.833 194.109 1.00 0.00 0.015 C +ATOM 4117 CG1 VAL A 447 146.997 176.923 194.645 1.00 0.00 0.010 C +ATOM 4118 CG2 VAL A 447 145.674 174.896 195.234 1.00 0.00 0.010 C +ATOM 4119 H VAL A 447 144.290 174.624 192.919 1.00 0.00 0.164 HD +ATOM 4120 C SER A 448 144.840 178.614 189.616 1.00 0.00 0.244 C +ATOM 4121 O SER A 448 145.073 179.801 189.393 1.00 0.00 -0.272 OA +ATOM 4122 CA SER A 448 145.962 177.663 190.010 1.00 0.00 0.197 C +ATOM 4123 N SER A 448 145.585 176.853 191.162 1.00 0.00 -0.342 N +ATOM 4124 CB SER A 448 146.331 176.774 188.821 1.00 0.00 0.191 C +ATOM 4125 OG SER A 448 147.719 176.498 188.806 1.00 0.00 -0.392 OA +ATOM 4126 HG SER A 448 147.908 176.009 188.150 1.00 0.00 0.210 HD +ATOM 4127 H SER A 448 145.583 176.007 191.009 1.00 0.00 0.164 HD +ATOM 4128 C GLN A 449 142.237 179.982 190.229 1.00 0.00 0.242 C +ATOM 4129 O GLN A 449 141.816 181.092 189.906 1.00 0.00 -0.273 OA +ATOM 4130 CA GLN A 449 142.468 178.901 189.179 1.00 0.00 0.171 C +ATOM 4131 N GLN A 449 143.624 178.086 189.527 1.00 0.00 -0.343 N +ATOM 4132 CB GLN A 449 141.218 178.034 189.035 1.00 0.00 0.045 C +ATOM 4133 CG GLN A 449 139.983 178.813 188.612 1.00 0.00 0.102 C +ATOM 4134 CD GLN A 449 138.784 177.925 188.359 1.00 0.00 0.217 C +ATOM 4135 OE1 GLN A 449 138.817 176.724 188.630 1.00 0.00 -0.275 OA +ATOM 4136 NE2 GLN A 449 137.715 178.512 187.835 1.00 0.00 -0.368 N +ATOM 4137 HE22 GLN A 449 137.730 179.354 187.658 1.00 0.00 0.159 HD +ATOM 4138 HE21 GLN A 449 137.008 178.051 187.671 1.00 0.00 0.159 HD +ATOM 4139 H GLN A 449 143.441 177.256 189.664 1.00 0.00 0.164 HD +ATOM 4140 C ALA A 450 143.270 181.796 192.413 1.00 0.00 0.243 C +ATOM 4141 O ALA A 450 142.879 182.935 192.670 1.00 0.00 -0.272 OA +ATOM 4142 CA ALA A 450 142.344 180.598 192.582 1.00 0.00 0.168 C +ATOM 4143 N ALA A 450 142.517 179.652 191.486 1.00 0.00 -0.344 N +ATOM 4144 CB ALA A 450 142.601 179.916 193.914 1.00 0.00 0.041 C +ATOM 4145 H ALA A 450 142.810 178.881 191.731 1.00 0.00 0.164 HD +ATOM 4146 C SER A 451 144.965 183.605 190.745 1.00 0.00 0.244 C +ATOM 4147 O SER A 451 145.061 184.814 190.958 1.00 0.00 -0.272 OA +ATOM 4148 CA SER A 451 145.476 182.590 191.760 1.00 0.00 0.197 C +ATOM 4149 N SER A 451 144.498 181.533 191.978 1.00 0.00 -0.342 N +ATOM 4150 CB SER A 451 146.801 181.998 191.285 1.00 0.00 0.191 C +ATOM 4151 OG SER A 451 147.274 181.024 192.197 1.00 0.00 -0.392 OA +ATOM 4152 HG SER A 451 147.393 181.371 192.953 1.00 0.00 0.210 HD +ATOM 4153 H SER A 451 144.790 180.744 191.800 1.00 0.00 0.164 HD +ATOM 4154 C ILE A 452 142.677 184.746 189.136 1.00 0.00 0.243 C +ATOM 4155 O ILE A 452 142.624 185.966 188.999 1.00 0.00 -0.272 OA +ATOM 4156 CA ILE A 452 143.868 183.957 188.600 1.00 0.00 0.174 C +ATOM 4157 N ILE A 452 144.421 183.103 189.642 1.00 0.00 -0.343 N +ATOM 4158 CB ILE A 452 143.428 183.135 187.369 1.00 0.00 0.018 C +ATOM 4159 CG2 ILE A 452 142.802 184.042 186.306 1.00 0.00 0.010 C +ATOM 4160 CG1 ILE A 452 144.624 182.382 186.780 1.00 0.00 0.002 C +ATOM 4161 CD1 ILE A 452 144.252 181.359 185.728 1.00 0.00 0.004 C +ATOM 4162 H ILE A 452 144.360 182.262 189.472 1.00 0.00 0.164 HD +ATOM 4163 C ASP A 453 140.841 185.728 191.303 1.00 0.00 0.242 C +ATOM 4164 O ASP A 453 140.305 186.832 191.258 1.00 0.00 -0.273 OA +ATOM 4165 CA ASP A 453 140.517 184.665 190.259 1.00 0.00 0.176 C +ATOM 4166 N ASP A 453 141.729 184.039 189.742 1.00 0.00 -0.343 N +ATOM 4167 CB ASP A 453 139.583 183.613 190.864 1.00 0.00 0.087 C +ATOM 4168 CG ASP A 453 138.963 182.704 189.817 1.00 0.00 0.044 C +ATOM 4169 OD1 ASP A 453 138.834 183.125 188.649 1.00 0.00 -0.548 OA +ATOM 4170 OD2 ASP A 453 138.595 181.566 190.171 1.00 0.00 -0.549 OA +ATOM 4171 H ASP A 453 141.763 183.189 189.867 1.00 0.00 0.164 HD +ATOM 4172 C GLN A 454 142.812 187.549 192.793 1.00 0.00 0.242 C +ATOM 4173 O GLN A 454 142.678 188.634 193.357 1.00 0.00 -0.273 OA +ATOM 4174 CA GLN A 454 142.084 186.310 193.312 1.00 0.00 0.171 C +ATOM 4175 N GLN A 454 141.725 185.393 192.237 1.00 0.00 -0.343 N +ATOM 4176 CB GLN A 454 142.949 185.595 194.349 1.00 0.00 0.045 C +ATOM 4177 CG GLN A 454 142.176 184.626 195.228 1.00 0.00 0.102 C +ATOM 4178 CD GLN A 454 143.085 183.737 196.049 1.00 0.00 0.217 C +ATOM 4179 OE1 GLN A 454 144.227 184.093 196.334 1.00 0.00 -0.275 OA +ATOM 4180 NE2 GLN A 454 142.583 182.570 196.430 1.00 0.00 -0.368 N +ATOM 4181 HE22 GLN A 454 141.781 182.353 196.208 1.00 0.00 0.159 HD +ATOM 4182 HE21 GLN A 454 143.060 182.029 196.898 1.00 0.00 0.159 HD +ATOM 4183 H GLN A 454 142.133 184.636 192.270 1.00 0.00 0.164 HD +ATOM 4184 C SER A 455 143.314 189.448 190.430 1.00 0.00 0.244 C +ATOM 4185 O SER A 455 143.527 190.656 190.362 1.00 0.00 -0.272 OA +ATOM 4186 CA SER A 455 144.295 188.522 191.139 1.00 0.00 0.197 C +ATOM 4187 N SER A 455 143.583 187.391 191.721 1.00 0.00 -0.342 N +ATOM 4188 CB SER A 455 145.378 188.046 190.168 1.00 0.00 0.191 C +ATOM 4189 OG SER A 455 144.817 187.326 189.087 1.00 0.00 -0.392 OA +ATOM 4190 HG SER A 455 144.405 186.653 189.374 1.00 0.00 0.210 HD +ATOM 4191 H SER A 455 143.709 186.643 191.315 1.00 0.00 0.164 HD +ATOM 4192 C ARG A 456 140.405 190.431 190.360 1.00 0.00 0.242 C +ATOM 4193 O ARG A 456 140.037 191.585 190.154 1.00 0.00 -0.273 OA +ATOM 4194 CA ARG A 456 141.174 189.661 189.293 1.00 0.00 0.171 C +ATOM 4195 N ARG A 456 142.237 188.873 189.904 1.00 0.00 -0.344 N +ATOM 4196 CB ARG A 456 140.228 188.763 188.496 1.00 0.00 0.038 C +ATOM 4197 CG ARG A 456 140.842 188.216 187.220 1.00 0.00 0.040 C +ATOM 4198 CD ARG A 456 139.944 187.183 186.562 1.00 0.00 0.197 C +ATOM 4199 NE ARG A 456 140.552 186.630 185.355 1.00 0.00 -0.278 N +ATOM 4200 HE ARG A 456 141.329 186.920 185.129 1.00 0.00 0.260 HD +ATOM 4201 CZ ARG A 456 139.987 185.708 184.582 1.00 0.00 0.339 C +ATOM 4202 NH1 ARG A 456 138.790 185.223 184.881 1.00 0.00 -0.290 N +ATOM 4203 NH2 ARG A 456 140.621 185.270 183.505 1.00 0.00 -0.290 N +ATOM 4204 HH12 ARG A 456 138.375 185.504 185.580 1.00 0.00 0.256 HD +ATOM 4205 HH11 ARG A 456 138.430 184.627 184.378 1.00 0.00 0.256 HD +ATOM 4206 HH22 ARG A 456 141.397 185.581 183.306 1.00 0.00 0.256 HD +ATOM 4207 HH21 ARG A 456 140.256 184.673 183.004 1.00 0.00 0.256 HD +ATOM 4208 H ARG A 456 142.098 188.024 189.889 1.00 0.00 0.164 HD +ATOM 4209 C GLN A 457 140.365 191.675 193.043 1.00 0.00 0.242 C +ATOM 4210 O GLN A 457 139.815 192.735 193.331 1.00 0.00 -0.273 OA +ATOM 4211 CA GLN A 457 139.550 190.452 192.643 1.00 0.00 0.171 C +ATOM 4212 N GLN A 457 140.166 189.785 191.499 1.00 0.00 -0.343 N +ATOM 4213 CB GLN A 457 139.435 189.503 193.838 1.00 0.00 0.045 C +ATOM 4214 CG GLN A 457 138.496 188.327 193.641 1.00 0.00 0.102 C +ATOM 4215 CD GLN A 457 138.485 187.395 194.837 1.00 0.00 0.217 C +ATOM 4216 OE1 GLN A 457 138.420 187.839 195.983 1.00 0.00 -0.275 OA +ATOM 4217 NE2 GLN A 457 138.561 186.095 194.578 1.00 0.00 -0.368 N +ATOM 4218 HE22 GLN A 457 138.612 185.821 193.764 1.00 0.00 0.159 HD +ATOM 4219 HE21 GLN A 457 138.558 185.526 195.223 1.00 0.00 0.159 HD +ATOM 4220 H GLN A 457 140.351 188.956 191.635 1.00 0.00 0.164 HD +ATOM 4221 C MET A 458 142.886 193.538 192.295 1.00 0.00 0.242 C +ATOM 4222 O MET A 458 143.617 194.512 192.463 1.00 0.00 -0.272 OA +ATOM 4223 CA MET A 458 142.588 192.584 193.453 1.00 0.00 0.172 C +ATOM 4224 N MET A 458 141.685 191.514 193.056 1.00 0.00 -0.344 N +ATOM 4225 CB MET A 458 143.888 191.991 194.003 1.00 0.00 0.046 C +ATOM 4226 CG MET A 458 143.715 191.283 195.344 1.00 0.00 0.072 C +ATOM 4227 SD MET A 458 145.245 190.607 196.022 1.00 0.00 -0.165 SA +ATOM 4228 CE MET A 458 145.727 189.454 194.738 1.00 0.00 0.085 C +ATOM 4229 H MET A 458 142.085 190.785 192.835 1.00 0.00 0.164 HD +ATOM 4230 C LYS A 459 143.858 194.401 189.528 1.00 0.00 0.242 C +ATOM 4231 O LYS A 459 144.297 195.548 189.469 1.00 0.00 -0.273 OA +ATOM 4232 CA LYS A 459 142.418 194.136 189.966 1.00 0.00 0.171 C +ATOM 4233 N LYS A 459 142.323 193.248 191.125 1.00 0.00 -0.344 N +ATOM 4234 CB LYS A 459 141.720 195.465 190.267 1.00 0.00 0.035 C +ATOM 4235 CG LYS A 459 140.248 195.317 190.624 1.00 0.00 0.008 C +ATOM 4236 CD LYS A 459 139.622 196.645 191.016 1.00 0.00 0.061 C +ATOM 4237 CE LYS A 459 140.206 197.182 192.314 1.00 0.00 0.258 C +ATOM 4238 NZ LYS A 459 139.515 198.416 192.770 1.00 0.00 -0.357 N +ATOM 4239 HZ1 LYS A 459 139.591 199.052 192.152 1.00 0.00 0.345 HD +ATOM 4240 HZ2 LYS A 459 138.652 198.248 192.908 1.00 0.00 0.345 HD +ATOM 4241 HZ3 LYS A 459 139.879 198.704 193.529 1.00 0.00 0.345 HD +ATOM 4242 H LYS A 459 141.874 192.531 190.973 1.00 0.00 0.164 HD +ATOM 4243 C TYR A 460 145.940 194.051 187.287 1.00 0.00 0.243 C +ATOM 4244 O TYR A 460 145.080 193.730 186.466 1.00 0.00 -0.272 OA +ATOM 4245 CA TYR A 460 145.938 193.455 188.689 1.00 0.00 0.175 C +ATOM 4246 N TYR A 460 144.585 193.335 189.218 1.00 0.00 -0.343 N +ATOM 4247 CB TYR A 460 146.625 192.090 188.644 1.00 0.00 0.070 C +ATOM 4248 CG TYR A 460 147.188 191.597 189.955 1.00 0.00 -0.045 A +ATOM 4249 CD1 TYR A 460 146.772 192.127 191.167 1.00 0.00 0.007 A +ATOM 4250 CD2 TYR A 460 148.148 190.598 189.973 1.00 0.00 0.007 A +ATOM 4251 CE1 TYR A 460 147.295 191.668 192.357 1.00 0.00 0.046 A +ATOM 4252 CE2 TYR A 460 148.675 190.137 191.154 1.00 0.00 0.046 A +ATOM 4253 CZ TYR A 460 148.247 190.673 192.344 1.00 0.00 0.115 A +ATOM 4254 OH TYR A 460 148.774 190.209 193.524 1.00 0.00 -0.507 OA +ATOM 4255 HH TYR A 460 149.340 189.607 193.369 1.00 0.00 0.294 HD +ATOM 4256 H TYR A 460 144.316 192.523 189.305 1.00 0.00 0.164 HD +ATOM 4257 C GLN A 461 147.628 194.191 184.792 1.00 0.00 0.242 C +ATOM 4258 O GLN A 461 147.908 193.111 185.311 1.00 0.00 -0.273 OA +ATOM 4259 CA GLN A 461 147.143 195.363 185.643 1.00 0.00 0.171 C +ATOM 4260 N GLN A 461 146.919 194.905 187.007 1.00 0.00 -0.343 N +ATOM 4261 CB GLN A 461 148.155 196.508 185.603 1.00 0.00 0.045 C +ATOM 4262 CG GLN A 461 147.629 197.823 186.155 1.00 0.00 0.102 C +ATOM 4263 CD GLN A 461 148.563 198.985 185.880 1.00 0.00 0.217 C +ATOM 4264 OE1 GLN A 461 149.141 199.090 184.798 1.00 0.00 -0.275 OA +ATOM 4265 NE2 GLN A 461 148.717 199.864 186.861 1.00 0.00 -0.368 N +ATOM 4266 HE22 GLN A 461 148.297 199.758 187.604 1.00 0.00 0.159 HD +ATOM 4267 HE21 GLN A 461 149.236 200.541 186.753 1.00 0.00 0.159 HD +ATOM 4268 H GLN A 461 147.464 195.233 187.586 1.00 0.00 0.164 HD +ATOM 4269 C SER A 462 149.542 192.887 182.751 1.00 0.00 0.244 C +ATOM 4270 O SER A 462 150.327 193.533 183.446 1.00 0.00 -0.272 OA +ATOM 4271 CA SER A 462 148.094 193.328 182.572 1.00 0.00 0.197 C +ATOM 4272 N SER A 462 147.728 194.404 183.485 1.00 0.00 -0.342 N +ATOM 4273 CB SER A 462 147.870 193.760 181.126 1.00 0.00 0.191 C +ATOM 4274 OG SER A 462 148.862 194.682 180.720 1.00 0.00 -0.392 OA +ATOM 4275 HG SER A 462 148.730 194.913 179.923 1.00 0.00 0.210 HD +ATOM 4276 H SER A 462 147.589 195.161 183.102 1.00 0.00 0.164 HD +ATOM 4277 C PHE A 463 152.242 192.197 181.551 1.00 0.00 0.243 C +ATOM 4278 O PHE A 463 153.357 192.324 182.054 1.00 0.00 -0.272 OA +ATOM 4279 CA PHE A 463 151.227 191.227 182.144 1.00 0.00 0.175 C +ATOM 4280 N PHE A 463 149.879 191.773 182.113 1.00 0.00 -0.343 N +ATOM 4281 CB PHE A 463 151.261 189.900 181.386 1.00 0.00 0.070 C +ATOM 4282 CG PHE A 463 152.619 189.268 181.315 1.00 0.00 -0.045 A +ATOM 4283 CD1 PHE A 463 153.200 188.713 182.443 1.00 0.00 0.004 A +ATOM 4284 CD2 PHE A 463 153.305 189.207 180.113 1.00 0.00 0.004 A +ATOM 4285 CE1 PHE A 463 154.438 188.118 182.374 1.00 0.00 0.000 A +ATOM 4286 CE2 PHE A 463 154.548 188.614 180.041 1.00 0.00 0.000 A +ATOM 4287 CZ PHE A 463 155.117 188.069 181.172 1.00 0.00 0.000 A +ATOM 4288 H PHE A 463 149.330 191.305 181.644 1.00 0.00 0.164 HD +ATOM 4289 C ASN A 464 152.976 195.090 180.600 1.00 0.00 0.242 C +ATOM 4290 O ASN A 464 154.028 195.713 180.487 1.00 0.00 -0.273 OA +ATOM 4291 CA ASN A 464 152.758 193.807 179.807 1.00 0.00 0.180 C +ATOM 4292 N ASN A 464 151.854 192.881 180.479 1.00 0.00 -0.342 N +ATOM 4293 CB ASN A 464 152.234 194.150 178.406 1.00 0.00 0.134 C +ATOM 4294 CG ASN A 464 152.844 193.279 177.313 1.00 0.00 0.220 C +ATOM 4295 OD1 ASN A 464 153.853 192.606 177.520 1.00 0.00 -0.275 OA +ATOM 4296 ND2 ASN A 464 152.234 193.307 176.132 1.00 0.00 -0.368 N +ATOM 4297 HD22 ASN A 464 152.536 192.834 175.480 1.00 0.00 0.159 HD +ATOM 4298 HD21 ASN A 464 151.536 193.797 176.020 1.00 0.00 0.159 HD +ATOM 4299 H ASN A 464 151.073 192.827 180.123 1.00 0.00 0.164 HD +ATOM 4300 C GLU A 465 153.198 196.383 183.313 1.00 0.00 0.242 C +ATOM 4301 O GLU A 465 153.968 197.266 183.692 1.00 0.00 -0.273 OA +ATOM 4302 CA GLU A 465 152.154 196.667 182.242 1.00 0.00 0.171 C +ATOM 4303 N GLU A 465 151.990 195.493 181.394 1.00 0.00 -0.344 N +ATOM 4304 CB GLU A 465 150.827 197.075 182.891 1.00 0.00 0.041 C +ATOM 4305 CG GLU A 465 149.797 197.647 181.921 1.00 0.00 0.055 C +ATOM 4306 CD GLU A 465 150.335 198.806 181.103 1.00 0.00 0.041 C +ATOM 4307 OE1 GLU A 465 150.740 199.824 181.697 1.00 0.00 -0.548 OA +ATOM 4308 OE2 GLU A 465 150.360 198.692 179.860 1.00 0.00 -0.549 OA +ATOM 4309 H GLU A 465 151.224 195.109 181.460 1.00 0.00 0.164 HD +ATOM 4310 C TYR A 466 155.576 194.556 184.205 1.00 0.00 0.243 C +ATOM 4311 O TYR A 466 156.581 194.726 184.896 1.00 0.00 -0.272 OA +ATOM 4312 CA TYR A 466 154.187 194.737 184.803 1.00 0.00 0.175 C +ATOM 4313 N TYR A 466 153.226 195.142 183.788 1.00 0.00 -0.343 N +ATOM 4314 CB TYR A 466 153.728 193.450 185.494 1.00 0.00 0.070 C +ATOM 4315 CG TYR A 466 152.782 193.724 186.637 1.00 0.00 -0.045 A +ATOM 4316 CD1 TYR A 466 153.252 194.259 187.826 1.00 0.00 0.007 A +ATOM 4317 CD2 TYR A 466 151.421 193.474 186.521 1.00 0.00 0.007 A +ATOM 4318 CE1 TYR A 466 152.399 194.531 188.865 1.00 0.00 0.046 A +ATOM 4319 CE2 TYR A 466 150.559 193.741 187.563 1.00 0.00 0.046 A +ATOM 4320 CZ TYR A 466 151.055 194.269 188.734 1.00 0.00 0.115 A +ATOM 4321 OH TYR A 466 150.210 194.540 189.781 1.00 0.00 -0.507 OA +ATOM 4322 HH TYR A 466 150.645 194.856 190.426 1.00 0.00 0.294 HD +ATOM 4323 H TYR A 466 152.695 194.514 183.537 1.00 0.00 0.164 HD +ATOM 4324 C ARG A 467 157.540 195.544 182.213 1.00 0.00 0.242 C +ATOM 4325 O ARG A 467 158.692 195.709 182.616 1.00 0.00 -0.273 OA +ATOM 4326 CA ARG A 467 156.904 194.160 182.213 1.00 0.00 0.171 C +ATOM 4327 N ARG A 467 155.632 194.214 182.921 1.00 0.00 -0.344 N +ATOM 4328 CB ARG A 467 156.718 193.672 180.775 1.00 0.00 0.038 C +ATOM 4329 CG ARG A 467 156.170 192.251 180.644 1.00 0.00 0.040 C +ATOM 4330 CD ARG A 467 157.259 191.219 180.384 1.00 0.00 0.197 C +ATOM 4331 NE ARG A 467 158.124 191.576 179.262 1.00 0.00 -0.278 N +ATOM 4332 HE ARG A 467 157.904 192.256 178.785 1.00 0.00 0.260 HD +ATOM 4333 CZ ARG A 467 159.230 190.916 178.932 1.00 0.00 0.339 C +ATOM 4334 NH1 ARG A 467 159.958 191.316 177.901 1.00 0.00 -0.290 N +ATOM 4335 NH2 ARG A 467 159.612 189.856 179.631 1.00 0.00 -0.290 N +ATOM 4336 HH12 ARG A 467 159.714 192.002 177.443 1.00 0.00 0.256 HD +ATOM 4337 HH11 ARG A 467 160.671 190.887 177.687 1.00 0.00 0.256 HD +ATOM 4338 HH22 ARG A 467 159.145 189.593 180.303 1.00 0.00 0.256 HD +ATOM 4339 HH21 ARG A 467 160.328 189.433 179.413 1.00 0.00 0.256 HD +ATOM 4340 H ARG A 467 154.950 194.010 182.440 1.00 0.00 0.164 HD +ATOM 4341 C LYS A 468 157.663 198.440 183.048 1.00 0.00 0.242 C +ATOM 4342 O LYS A 468 158.624 199.198 183.169 1.00 0.00 -0.273 OA +ATOM 4343 CA LYS A 468 157.262 197.907 181.675 1.00 0.00 0.171 C +ATOM 4344 N LYS A 468 156.775 196.536 181.765 1.00 0.00 -0.344 N +ATOM 4345 CB LYS A 468 156.198 198.815 181.046 1.00 0.00 0.035 C +ATOM 4346 CG LYS A 468 155.865 198.467 179.599 1.00 0.00 0.008 C +ATOM 4347 CD LYS A 468 155.104 199.583 178.889 1.00 0.00 0.061 C +ATOM 4348 CE LYS A 468 153.623 199.585 179.238 1.00 0.00 0.258 C +ATOM 4349 NZ LYS A 468 152.872 200.603 178.446 1.00 0.00 -0.357 N +ATOM 4350 HZ1 LYS A 468 152.010 200.584 178.668 1.00 0.00 0.345 HD +ATOM 4351 HZ2 LYS A 468 153.196 201.415 178.611 1.00 0.00 0.345 HD +ATOM 4352 HZ3 LYS A 468 152.951 200.430 177.577 1.00 0.00 0.345 HD +ATOM 4353 H LYS A 468 155.962 196.438 181.504 1.00 0.00 0.164 HD +ATOM 4354 C ARG A 469 158.562 198.046 185.927 1.00 0.00 0.242 C +ATOM 4355 O ARG A 469 159.181 198.715 186.750 1.00 0.00 -0.273 OA +ATOM 4356 CA ARG A 469 157.186 198.491 185.439 1.00 0.00 0.171 C +ATOM 4357 N ARG A 469 156.927 198.033 184.077 1.00 0.00 -0.344 N +ATOM 4358 CB ARG A 469 156.099 197.975 186.384 1.00 0.00 0.038 C +ATOM 4359 CG ARG A 469 156.379 198.178 187.872 1.00 0.00 0.040 C +ATOM 4360 CD ARG A 469 156.569 199.643 188.238 1.00 0.00 0.197 C +ATOM 4361 NE ARG A 469 156.641 199.823 189.684 1.00 0.00 -0.278 N +ATOM 4362 HE ARG A 469 155.924 200.063 190.093 1.00 0.00 0.260 HD +ATOM 4363 CZ ARG A 469 157.738 199.643 190.414 1.00 0.00 0.339 C +ATOM 4364 NH1 ARG A 469 158.879 199.277 189.842 1.00 0.00 -0.290 N +ATOM 4365 NH2 ARG A 469 157.695 199.829 191.726 1.00 0.00 -0.290 N +ATOM 4366 HH12 ARG A 469 158.913 199.153 188.992 1.00 0.00 0.256 HD +ATOM 4367 HH11 ARG A 469 159.583 199.163 190.322 1.00 0.00 0.256 HD +ATOM 4368 HH22 ARG A 469 156.959 200.067 192.103 1.00 0.00 0.256 HD +ATOM 4369 HH21 ARG A 469 158.403 199.715 192.201 1.00 0.00 0.256 HD +ATOM 4370 H ARG A 469 156.265 197.487 184.012 1.00 0.00 0.164 HD +ATOM 4371 C PHE A 470 161.305 196.473 184.592 1.00 0.00 0.243 C +ATOM 4372 O PHE A 470 162.208 195.649 184.444 1.00 0.00 -0.272 OA +ATOM 4373 CA PHE A 470 160.348 196.400 185.782 1.00 0.00 0.175 C +ATOM 4374 N PHE A 470 159.035 196.917 185.414 1.00 0.00 -0.343 N +ATOM 4375 CB PHE A 470 160.214 194.978 186.325 1.00 0.00 0.070 C +ATOM 4376 CG PHE A 470 159.578 194.926 187.685 1.00 0.00 -0.045 A +ATOM 4377 CD1 PHE A 470 158.206 194.803 187.821 1.00 0.00 0.004 A +ATOM 4378 CD2 PHE A 470 160.351 195.038 188.829 1.00 0.00 0.004 A +ATOM 4379 CE1 PHE A 470 157.620 194.772 189.069 1.00 0.00 0.000 A +ATOM 4380 CE2 PHE A 470 159.770 195.007 190.079 1.00 0.00 0.000 A +ATOM 4381 CZ PHE A 470 158.402 194.875 190.199 1.00 0.00 0.000 A +ATOM 4382 H PHE A 470 158.613 196.428 184.846 1.00 0.00 0.164 HD +ATOM 4383 C MET A 471 162.267 196.752 181.686 1.00 0.00 0.242 C +ATOM 4384 O MET A 471 163.402 196.524 181.266 1.00 0.00 -0.272 OA +ATOM 4385 CA MET A 471 162.016 197.869 182.696 1.00 0.00 0.172 C +ATOM 4386 N MET A 471 161.086 197.487 183.757 1.00 0.00 -0.344 N +ATOM 4387 CB MET A 471 163.341 198.332 183.308 1.00 0.00 0.046 C +ATOM 4388 CG MET A 471 163.228 199.645 184.076 1.00 0.00 0.072 C +ATOM 4389 SD MET A 471 164.792 200.214 184.775 1.00 0.00 -0.165 SA +ATOM 4390 CE MET A 471 165.791 200.406 183.300 1.00 0.00 0.085 C +ATOM 4391 H MET A 471 160.384 197.984 183.787 1.00 0.00 0.164 HD +ATOM 4392 C LEU A 472 160.447 195.538 179.029 1.00 0.00 0.243 C +ATOM 4393 O LEU A 472 159.442 196.230 179.181 1.00 0.00 -0.272 OA +ATOM 4394 CA LEU A 472 161.263 195.076 180.228 1.00 0.00 0.172 C +ATOM 4395 N LEU A 472 161.197 196.070 181.292 1.00 0.00 -0.345 N +ATOM 4396 CB LEU A 472 160.749 193.720 180.714 1.00 0.00 0.038 C +ATOM 4397 CG LEU A 472 161.305 193.215 182.047 1.00 0.00 -0.015 C +ATOM 4398 CD1 LEU A 472 160.645 191.897 182.415 1.00 0.00 0.007 C +ATOM 4399 CD2 LEU A 472 162.815 193.067 181.984 1.00 0.00 0.007 C +ATOM 4400 H LEU A 472 160.413 196.166 181.630 1.00 0.00 0.165 HD +ATOM 4401 C LYS A 473 158.836 194.626 176.651 1.00 0.00 0.242 C +ATOM 4402 O LYS A 473 158.860 193.419 176.882 1.00 0.00 -0.273 OA +ATOM 4403 CA LYS A 473 160.140 195.424 176.621 1.00 0.00 0.171 C +ATOM 4404 N LYS A 473 160.892 195.157 177.839 1.00 0.00 -0.344 N +ATOM 4405 CB LYS A 473 160.965 195.045 175.388 1.00 0.00 0.035 C +ATOM 4406 CG LYS A 473 160.853 196.019 174.228 1.00 0.00 0.008 C +ATOM 4407 CD LYS A 473 161.819 195.655 173.106 1.00 0.00 0.061 C +ATOM 4408 CE LYS A 473 161.395 194.389 172.370 1.00 0.00 0.258 C +ATOM 4409 NZ LYS A 473 160.147 194.589 171.583 1.00 0.00 -0.357 N +ATOM 4410 HZ1 LYS A 473 159.926 193.834 171.166 1.00 0.00 0.345 HD +ATOM 4411 HZ2 LYS A 473 159.481 194.826 172.124 1.00 0.00 0.345 HD +ATOM 4412 HZ3 LYS A 473 160.269 195.229 170.976 1.00 0.00 0.345 HD +ATOM 4413 H LYS A 473 161.633 194.740 177.708 1.00 0.00 0.164 HD +ATOM 4414 C PRO A 474 156.434 193.546 175.183 1.00 0.00 0.243 C +ATOM 4415 O PRO A 474 157.036 193.845 174.153 1.00 0.00 -0.271 OA +ATOM 4416 CA PRO A 474 156.452 194.496 176.378 1.00 0.00 0.175 C +ATOM 4417 N PRO A 474 157.687 195.289 176.440 1.00 0.00 -0.329 N +ATOM 4418 CB PRO A 474 155.352 195.558 176.256 1.00 0.00 0.037 C +ATOM 4419 CG PRO A 474 156.043 196.797 175.795 1.00 0.00 0.024 C +ATOM 4420 CD PRO A 474 157.423 196.735 176.355 1.00 0.00 0.121 C +ATOM 4421 C TYR A 475 154.663 191.913 173.190 1.00 0.00 0.243 C +ATOM 4422 O TYR A 475 153.557 192.344 173.517 1.00 0.00 -0.272 OA +ATOM 4423 CA TYR A 475 155.658 191.438 174.245 1.00 0.00 0.175 C +ATOM 4424 N TYR A 475 155.759 192.411 175.328 1.00 0.00 -0.343 N +ATOM 4425 CB TYR A 475 155.245 190.068 174.788 1.00 0.00 0.070 C +ATOM 4426 CG TYR A 475 156.361 189.326 175.494 1.00 0.00 -0.045 A +ATOM 4427 CD1 TYR A 475 157.435 188.815 174.782 1.00 0.00 0.007 A +ATOM 4428 CD2 TYR A 475 156.333 189.128 176.868 1.00 0.00 0.007 A +ATOM 4429 CE1 TYR A 475 158.456 188.134 175.417 1.00 0.00 0.046 A +ATOM 4430 CE2 TYR A 475 157.352 188.446 177.513 1.00 0.00 0.046 A +ATOM 4431 CZ TYR A 475 158.410 187.952 176.781 1.00 0.00 0.115 A +ATOM 4432 OH TYR A 475 159.426 187.273 177.413 1.00 0.00 -0.507 OA +ATOM 4433 HH TYR A 475 159.275 187.234 178.239 1.00 0.00 0.294 HD +ATOM 4434 H TYR A 475 155.348 192.179 176.047 1.00 0.00 0.164 HD +ATOM 4435 C GLU A 476 153.341 191.260 170.220 1.00 0.00 0.242 C +ATOM 4436 O GLU A 476 152.556 191.548 169.316 1.00 0.00 -0.273 OA +ATOM 4437 CA GLU A 476 154.254 192.328 170.817 1.00 0.00 0.171 C +ATOM 4438 N GLU A 476 155.064 191.826 171.925 1.00 0.00 -0.344 N +ATOM 4439 CB GLU A 476 155.160 192.897 169.723 1.00 0.00 0.041 C +ATOM 4440 CG GLU A 476 155.922 194.144 170.141 1.00 0.00 0.055 C +ATOM 4441 CD GLU A 476 156.911 194.603 169.091 1.00 0.00 0.041 C +ATOM 4442 OE1 GLU A 476 156.614 194.459 167.887 1.00 0.00 -0.548 OA +ATOM 4443 OE2 GLU A 476 157.990 195.105 169.469 1.00 0.00 -0.549 OA +ATOM 4444 H GLU A 476 155.810 191.476 171.679 1.00 0.00 0.164 HD +ATOM 4445 C SER A 477 152.624 187.753 171.167 1.00 0.00 0.244 C +ATOM 4446 O SER A 477 153.504 187.636 172.018 1.00 0.00 -0.272 OA +ATOM 4447 CA SER A 477 152.598 188.948 170.224 1.00 0.00 0.197 C +ATOM 4448 N SER A 477 153.442 190.032 170.716 1.00 0.00 -0.342 N +ATOM 4449 CB SER A 477 153.043 188.509 168.829 1.00 0.00 0.191 C +ATOM 4450 OG SER A 477 154.242 187.758 168.893 1.00 0.00 -0.392 OA +ATOM 4451 HG SER A 477 154.475 187.523 168.121 1.00 0.00 0.210 HD +ATOM 4452 H SER A 477 153.990 189.800 171.337 1.00 0.00 0.164 HD +ATOM 4453 C PHE A 478 152.661 184.692 171.539 1.00 0.00 0.243 C +ATOM 4454 O PHE A 478 153.026 183.880 172.388 1.00 0.00 -0.272 OA +ATOM 4455 CA PHE A 478 151.540 185.678 171.836 1.00 0.00 0.175 C +ATOM 4456 N PHE A 478 151.652 186.864 171.000 1.00 0.00 -0.343 N +ATOM 4457 CB PHE A 478 150.181 185.010 171.625 1.00 0.00 0.070 C +ATOM 4458 CG PHE A 478 149.016 185.918 171.889 1.00 0.00 -0.045 A +ATOM 4459 CD1 PHE A 478 148.429 185.965 173.141 1.00 0.00 0.004 A +ATOM 4460 CD2 PHE A 478 148.513 186.731 170.886 1.00 0.00 0.004 A +ATOM 4461 CE1 PHE A 478 147.358 186.801 173.388 1.00 0.00 0.000 A +ATOM 4462 CE2 PHE A 478 147.442 187.569 171.128 1.00 0.00 0.000 A +ATOM 4463 CZ PHE A 478 146.866 187.604 172.381 1.00 0.00 0.000 A +ATOM 4464 H PHE A 478 151.038 186.926 170.401 1.00 0.00 0.164 HD +ATOM 4465 C GLU A 479 155.609 184.287 170.475 1.00 0.00 0.242 C +ATOM 4466 O GLU A 479 156.420 183.448 170.868 1.00 0.00 -0.273 OA +ATOM 4467 CA GLU A 479 154.262 183.860 169.904 1.00 0.00 0.171 C +ATOM 4468 N GLU A 479 153.208 184.773 170.331 1.00 0.00 -0.344 N +ATOM 4469 CB GLU A 479 154.322 183.798 168.376 1.00 0.00 0.041 C +ATOM 4470 CG GLU A 479 154.365 182.385 167.820 1.00 0.00 0.055 C +ATOM 4471 CD GLU A 479 153.917 182.311 166.374 1.00 0.00 0.041 C +ATOM 4472 OE1 GLU A 479 152.741 181.965 166.137 1.00 0.00 -0.548 OA +ATOM 4473 OE2 GLU A 479 154.739 182.595 165.477 1.00 0.00 -0.549 OA +ATOM 4474 H GLU A 479 152.985 185.351 169.736 1.00 0.00 0.164 HD +ATOM 4475 C GLU A 480 157.093 185.782 172.611 1.00 0.00 0.242 C +ATOM 4476 O GLU A 480 158.159 185.538 173.174 1.00 0.00 -0.273 OA +ATOM 4477 CA GLU A 480 157.051 186.136 171.129 1.00 0.00 0.171 C +ATOM 4478 N GLU A 480 155.842 185.594 170.520 1.00 0.00 -0.344 N +ATOM 4479 CB GLU A 480 157.114 187.654 170.944 1.00 0.00 0.041 C +ATOM 4480 CG GLU A 480 158.397 188.297 171.451 1.00 0.00 0.055 C +ATOM 4481 CD GLU A 480 158.349 189.812 171.391 1.00 0.00 0.041 C +ATOM 4482 OE1 GLU A 480 157.470 190.351 170.687 1.00 0.00 -0.548 OA +ATOM 4483 OE2 GLU A 480 159.186 190.464 172.051 1.00 0.00 -0.549 OA +ATOM 4484 H GLU A 480 155.312 186.192 170.203 1.00 0.00 0.164 HD +ATOM 4485 C LEU A 481 156.151 183.965 174.907 1.00 0.00 0.243 C +ATOM 4486 O LEU A 481 157.046 183.668 175.698 1.00 0.00 -0.272 OA +ATOM 4487 CA LEU A 481 155.799 185.426 174.646 1.00 0.00 0.172 C +ATOM 4488 N LEU A 481 155.919 185.753 173.231 1.00 0.00 -0.345 N +ATOM 4489 CB LEU A 481 154.378 185.730 175.137 1.00 0.00 0.038 C +ATOM 4490 CG LEU A 481 153.919 185.125 176.469 1.00 0.00 -0.015 C +ATOM 4491 CD1 LEU A 481 154.909 185.395 177.590 1.00 0.00 0.007 C +ATOM 4492 CD2 LEU A 481 152.550 185.670 176.837 1.00 0.00 0.007 C +ATOM 4493 H LEU A 481 155.167 185.921 172.849 1.00 0.00 0.165 HD +ATOM 4494 C THR A 482 156.773 181.019 173.698 1.00 0.00 0.245 C +ATOM 4495 O THR A 482 157.258 179.941 174.038 1.00 0.00 -0.273 OA +ATOM 4496 CA THR A 482 155.617 181.631 174.493 1.00 0.00 0.199 C +ATOM 4497 N THR A 482 155.457 183.056 174.232 1.00 0.00 -0.341 N +ATOM 4498 CB THR A 482 154.326 180.857 174.165 1.00 0.00 0.143 C +ATOM 4499 CG2 THR A 482 153.117 181.530 174.807 1.00 0.00 0.041 C +ATOM 4500 OG1 THR A 482 154.147 180.793 172.745 1.00 0.00 -0.389 OA +ATOM 4501 HG1 THR A 482 153.443 180.371 172.563 1.00 0.00 0.211 HD +ATOM 4502 H THR A 482 154.885 183.239 173.617 1.00 0.00 0.164 HD +ATOM 4503 C GLY A 483 157.882 179.863 171.208 1.00 0.00 0.239 C +ATOM 4504 O GLY A 483 158.705 178.960 171.057 1.00 0.00 -0.273 OA +ATOM 4505 CA GLY A 483 158.278 181.204 171.794 1.00 0.00 0.216 C +ATOM 4506 N GLY A 483 157.215 181.710 172.649 1.00 0.00 -0.346 N +ATOM 4507 H GLY A 483 156.911 182.479 172.411 1.00 0.00 0.164 HD +ATOM 4508 C GLU A 484 154.644 178.767 169.871 1.00 0.00 0.242 C +ATOM 4509 O GLU A 484 154.219 179.919 169.827 1.00 0.00 -0.273 OA +ATOM 4510 CA GLU A 484 155.978 178.480 170.575 1.00 0.00 0.171 C +ATOM 4511 N GLU A 484 156.605 179.757 170.860 1.00 0.00 -0.344 N +ATOM 4512 CB GLU A 484 155.825 177.692 171.888 1.00 0.00 0.041 C +ATOM 4513 CG GLU A 484 154.824 176.555 171.899 1.00 0.00 0.055 C +ATOM 4514 CD GLU A 484 153.428 177.006 172.263 1.00 0.00 0.041 C +ATOM 4515 OE1 GLU A 484 152.568 176.127 172.454 1.00 0.00 -0.548 OA +ATOM 4516 OE2 GLU A 484 153.187 178.227 172.368 1.00 0.00 -0.549 OA +ATOM 4517 H GLU A 484 156.072 180.427 170.782 1.00 0.00 0.164 HD +ATOM 4518 C LYS A 485 151.492 177.511 168.985 1.00 0.00 0.243 C +ATOM 4519 O LYS A 485 150.471 178.149 168.720 1.00 0.00 -0.272 OA +ATOM 4520 CA LYS A 485 152.846 177.971 168.426 1.00 0.00 0.171 C +ATOM 4521 N LYS A 485 154.002 177.750 169.300 1.00 0.00 -0.344 N +ATOM 4522 CB LYS A 485 153.095 177.274 167.084 1.00 0.00 0.035 C +ATOM 4523 CG LYS A 485 154.222 177.911 166.283 1.00 0.00 0.004 C +ATOM 4524 CD LYS A 485 153.745 178.295 164.891 1.00 0.00 0.015 C +ATOM 4525 CE LYS A 485 154.678 179.305 164.235 1.00 0.00 0.077 C +ATOM 4526 NZ LYS A 485 153.974 180.083 163.174 1.00 0.00 -0.329 NA +ATOM 4527 HZ2 LYS A 485 153.349 180.774 163.613 1.00 0.00 0.118 HD +ATOM 4528 HZ3 LYS A 485 154.667 180.570 162.588 1.00 0.00 0.118 HD +ATOM 4529 H LYS A 485 154.214 176.922 169.401 1.00 0.00 0.164 HD +ATOM 4530 C GLU A 486 149.545 176.779 171.291 1.00 0.00 0.242 C +ATOM 4531 O GLU A 486 148.428 177.260 171.103 1.00 0.00 -0.273 OA +ATOM 4532 CA GLU A 486 150.197 175.881 170.237 1.00 0.00 0.171 C +ATOM 4533 N GLU A 486 151.467 176.420 169.750 1.00 0.00 -0.344 N +ATOM 4534 CB GLU A 486 150.389 174.477 170.817 1.00 0.00 0.041 C +ATOM 4535 CG GLU A 486 151.063 173.498 169.872 1.00 0.00 0.055 C +ATOM 4536 CD GLU A 486 150.813 172.051 170.254 1.00 0.00 0.041 C +ATOM 4537 OE1 GLU A 486 150.370 171.800 171.396 1.00 0.00 -0.548 OA +ATOM 4538 OE2 GLU A 486 151.055 171.164 169.408 1.00 0.00 -0.549 OA +ATOM 4539 H GLU A 486 152.162 175.978 169.998 1.00 0.00 0.164 HD +ATOM 4540 C MET A 487 149.515 179.252 173.088 1.00 0.00 0.242 C +ATOM 4541 O MET A 487 148.559 179.891 173.530 1.00 0.00 -0.272 OA +ATOM 4542 CA MET A 487 149.735 177.801 173.501 1.00 0.00 0.172 C +ATOM 4543 N MET A 487 150.244 176.986 172.404 1.00 0.00 -0.344 N +ATOM 4544 CB MET A 487 150.697 177.750 174.687 1.00 0.00 0.046 C +ATOM 4545 CG MET A 487 150.889 176.363 175.280 1.00 0.00 0.072 C +ATOM 4546 SD MET A 487 151.966 176.377 176.725 1.00 0.00 -0.165 SA +ATOM 4547 CE MET A 487 153.471 177.055 176.030 1.00 0.00 0.085 C +ATOM 4548 H MET A 487 151.027 176.662 172.548 1.00 0.00 0.164 HD +ATOM 4549 C SER A 488 148.944 181.300 171.032 1.00 0.00 0.244 C +ATOM 4550 O SER A 488 148.260 182.312 171.180 1.00 0.00 -0.272 OA +ATOM 4551 CA SER A 488 150.273 181.140 171.756 1.00 0.00 0.197 C +ATOM 4552 N SER A 488 150.409 179.776 172.255 1.00 0.00 -0.342 N +ATOM 4553 CB SER A 488 151.428 181.495 170.823 1.00 0.00 0.191 C +ATOM 4554 OG SER A 488 151.567 180.528 169.798 1.00 0.00 -0.392 OA +ATOM 4555 HG SER A 488 152.205 180.735 169.292 1.00 0.00 0.210 HD +ATOM 4556 H SER A 488 151.105 179.362 171.964 1.00 0.00 0.164 HD +ATOM 4557 C ALA A 489 146.158 180.170 170.561 1.00 0.00 0.243 C +ATOM 4558 O ALA A 489 145.119 180.808 170.394 1.00 0.00 -0.272 OA +ATOM 4559 CA ALA A 489 147.303 180.271 169.559 1.00 0.00 0.168 C +ATOM 4560 N ALA A 489 148.584 180.287 170.252 1.00 0.00 -0.344 N +ATOM 4561 CB ALA A 489 147.250 179.119 168.570 1.00 0.00 0.041 C +ATOM 4562 H ALA A 489 149.068 179.591 170.106 1.00 0.00 0.164 HD +ATOM 4563 C GLU A 490 145.156 180.523 173.412 1.00 0.00 0.242 C +ATOM 4564 O GLU A 490 144.034 180.859 173.790 1.00 0.00 -0.273 OA +ATOM 4565 CA GLU A 490 145.366 179.212 172.661 1.00 0.00 0.171 C +ATOM 4566 N GLU A 490 146.356 179.364 171.600 1.00 0.00 -0.344 N +ATOM 4567 CB GLU A 490 145.793 178.115 173.639 1.00 0.00 0.041 C +ATOM 4568 CG GLU A 490 145.542 176.698 173.144 1.00 0.00 0.055 C +ATOM 4569 CD GLU A 490 144.085 176.288 173.241 1.00 0.00 0.041 C +ATOM 4570 OE1 GLU A 490 143.266 177.094 173.729 1.00 0.00 -0.548 OA +ATOM 4571 OE2 GLU A 490 143.761 175.153 172.832 1.00 0.00 -0.549 OA +ATOM 4572 H GLU A 490 147.064 178.890 171.714 1.00 0.00 0.164 HD +ATOM 4573 C LEU A 491 145.396 183.566 173.565 1.00 0.00 0.243 C +ATOM 4574 O LEU A 491 144.535 184.253 174.113 1.00 0.00 -0.272 OA +ATOM 4575 CA LEU A 491 146.175 182.523 174.352 1.00 0.00 0.172 C +ATOM 4576 N LEU A 491 146.243 181.256 173.633 1.00 0.00 -0.345 N +ATOM 4577 CB LEU A 491 147.578 183.051 174.651 1.00 0.00 0.038 C +ATOM 4578 CG LEU A 491 148.325 182.470 175.850 1.00 0.00 -0.015 C +ATOM 4579 CD1 LEU A 491 149.746 182.990 175.851 1.00 0.00 0.007 C +ATOM 4580 CD2 LEU A 491 147.628 182.830 177.155 1.00 0.00 0.007 C +ATOM 4581 H LEU A 491 147.034 181.040 173.376 1.00 0.00 0.165 HD +ATOM 4582 C GLU A 492 143.555 184.362 171.307 1.00 0.00 0.242 C +ATOM 4583 O GLU A 492 142.736 185.268 171.167 1.00 0.00 -0.273 OA +ATOM 4584 CA GLU A 492 145.042 184.670 171.432 1.00 0.00 0.171 C +ATOM 4585 N GLU A 492 145.707 183.689 172.278 1.00 0.00 -0.344 N +ATOM 4586 CB GLU A 492 145.687 184.717 170.047 1.00 0.00 0.041 C +ATOM 4587 CG GLU A 492 145.061 185.756 169.128 1.00 0.00 0.055 C +ATOM 4588 CD GLU A 492 145.974 186.166 167.990 1.00 0.00 0.041 C +ATOM 4589 OE1 GLU A 492 146.733 185.308 167.493 1.00 0.00 -0.548 OA +ATOM 4590 OE2 GLU A 492 145.936 187.352 167.597 1.00 0.00 -0.549 OA +ATOM 4591 H GLU A 492 146.299 183.216 171.872 1.00 0.00 0.164 HD +ATOM 4592 C ALA A 493 141.074 183.088 172.560 1.00 0.00 0.243 C +ATOM 4593 O ALA A 493 139.884 183.399 172.520 1.00 0.00 -0.272 OA +ATOM 4594 CA ALA A 493 141.815 182.670 171.294 1.00 0.00 0.168 C +ATOM 4595 N ALA A 493 143.210 183.082 171.361 1.00 0.00 -0.344 N +ATOM 4596 CB ALA A 493 141.715 181.171 171.090 1.00 0.00 0.041 C +ATOM 4597 H ALA A 493 143.767 182.431 171.437 1.00 0.00 0.164 HD +ATOM 4598 C LEU A 494 141.230 184.969 175.212 1.00 0.00 0.243 C +ATOM 4599 O LEU A 494 140.236 185.546 175.649 1.00 0.00 -0.272 OA +ATOM 4600 CA LEU A 494 141.207 183.461 174.969 1.00 0.00 0.172 C +ATOM 4601 N LEU A 494 141.789 183.098 173.680 1.00 0.00 -0.345 N +ATOM 4602 CB LEU A 494 141.950 182.749 176.103 1.00 0.00 0.038 C +ATOM 4603 CG LEU A 494 141.702 181.247 176.244 1.00 0.00 -0.015 C +ATOM 4604 CD1 LEU A 494 142.761 180.616 177.135 1.00 0.00 0.007 C +ATOM 4605 CD2 LEU A 494 140.315 180.989 176.804 1.00 0.00 0.007 C +ATOM 4606 H LEU A 494 142.624 182.897 173.721 1.00 0.00 0.165 HD +ATOM 4607 C TYR A 495 142.378 187.937 174.053 1.00 0.00 0.243 C +ATOM 4608 O TYR A 495 141.895 189.059 174.208 1.00 0.00 -0.272 OA +ATOM 4609 CA TYR A 495 142.573 187.008 175.247 1.00 0.00 0.175 C +ATOM 4610 N TYR A 495 142.365 185.598 174.922 1.00 0.00 -0.343 N +ATOM 4611 CB TYR A 495 143.977 187.213 175.817 1.00 0.00 0.070 C +ATOM 4612 CG TYR A 495 144.141 186.731 177.240 1.00 0.00 -0.045 A +ATOM 4613 CD1 TYR A 495 143.610 187.451 178.302 1.00 0.00 0.007 A +ATOM 4614 CD2 TYR A 495 144.838 185.564 177.525 1.00 0.00 0.007 A +ATOM 4615 CE1 TYR A 495 143.762 187.020 179.605 1.00 0.00 0.046 A +ATOM 4616 CE2 TYR A 495 144.994 185.127 178.827 1.00 0.00 0.046 A +ATOM 4617 CZ TYR A 495 144.454 185.859 179.860 1.00 0.00 0.115 A +ATOM 4618 OH TYR A 495 144.606 185.428 181.155 1.00 0.00 -0.507 OA +ATOM 4619 HH TYR A 495 144.231 185.963 181.682 1.00 0.00 0.294 HD +ATOM 4620 H TYR A 495 143.037 185.228 174.533 1.00 0.00 0.164 HD +ATOM 4621 C GLY A 496 143.822 189.261 171.519 1.00 0.00 0.239 C +ATOM 4622 O GLY A 496 144.519 189.261 170.505 1.00 0.00 -0.273 OA +ATOM 4623 CA GLY A 496 142.666 188.288 171.665 1.00 0.00 0.216 C +ATOM 4624 N GLY A 496 142.768 187.478 172.868 1.00 0.00 -0.346 N +ATOM 4625 H GLY A 496 143.097 186.694 172.735 1.00 0.00 0.164 HD +ATOM 4626 C ASP A 497 146.190 190.690 173.490 1.00 0.00 0.242 C +ATOM 4627 O ASP A 497 145.930 190.269 174.616 1.00 0.00 -0.273 OA +ATOM 4628 CA ASP A 497 145.070 191.101 172.539 1.00 0.00 0.176 C +ATOM 4629 N ASP A 497 144.019 190.090 172.540 1.00 0.00 -0.343 N +ATOM 4630 CB ASP A 497 144.492 192.460 172.945 1.00 0.00 0.087 C +ATOM 4631 CG ASP A 497 145.401 193.618 172.587 1.00 0.00 0.044 C +ATOM 4632 OD1 ASP A 497 146.638 193.448 172.612 1.00 0.00 -0.548 OA +ATOM 4633 OD2 ASP A 497 144.872 194.707 172.279 1.00 0.00 -0.549 OA +ATOM 4634 H ASP A 497 143.547 190.085 173.259 1.00 0.00 0.164 HD +ATOM 4635 C ILE A 498 148.657 191.349 175.082 1.00 0.00 0.243 C +ATOM 4636 O ILE A 498 149.153 190.949 176.133 1.00 0.00 -0.272 OA +ATOM 4637 CA ILE A 498 148.577 190.436 173.862 1.00 0.00 0.174 C +ATOM 4638 N ILE A 498 147.433 190.801 173.034 1.00 0.00 -0.343 N +ATOM 4639 CB ILE A 498 149.906 190.499 173.063 1.00 0.00 0.018 C +ATOM 4640 CG2 ILE A 498 150.132 191.892 172.493 1.00 0.00 0.010 C +ATOM 4641 CG1 ILE A 498 151.099 190.081 173.933 1.00 0.00 0.002 C +ATOM 4642 CD1 ILE A 498 151.050 188.640 174.406 1.00 0.00 0.004 C +ATOM 4643 H ILE A 498 147.642 191.085 172.250 1.00 0.00 0.164 HD +ATOM 4644 C ASP A 499 147.009 193.194 177.050 1.00 0.00 0.242 C +ATOM 4645 O ASP A 499 146.848 193.890 178.051 1.00 0.00 -0.273 OA +ATOM 4646 CA ASP A 499 148.125 193.518 176.055 1.00 0.00 0.176 C +ATOM 4647 N ASP A 499 148.152 192.572 174.944 1.00 0.00 -0.343 N +ATOM 4648 CB ASP A 499 147.949 194.949 175.540 1.00 0.00 0.087 C +ATOM 4649 CG ASP A 499 149.073 195.384 174.622 1.00 0.00 0.044 C +ATOM 4650 OD1 ASP A 499 150.173 195.686 175.131 1.00 0.00 -0.548 OA +ATOM 4651 OD2 ASP A 499 148.857 195.434 173.392 1.00 0.00 -0.549 OA +ATOM 4652 H ASP A 499 147.817 192.879 174.213 1.00 0.00 0.164 HD +ATOM 4653 C ALA A 500 145.496 190.493 178.453 1.00 0.00 0.243 C +ATOM 4654 O ALA A 500 144.729 190.079 179.321 1.00 0.00 -0.272 OA +ATOM 4655 CA ALA A 500 145.141 191.733 177.636 1.00 0.00 0.168 C +ATOM 4656 N ALA A 500 146.244 192.143 176.768 1.00 0.00 -0.344 N +ATOM 4657 CB ALA A 500 143.894 191.475 176.813 1.00 0.00 0.041 C +ATOM 4658 H ALA A 500 146.344 191.645 176.074 1.00 0.00 0.164 HD +ATOM 4659 C VAL A 501 147.355 189.080 180.371 1.00 0.00 0.243 C +ATOM 4660 O VAL A 501 148.003 190.085 180.657 1.00 0.00 -0.272 OA +ATOM 4661 CA VAL A 501 147.077 188.716 178.916 1.00 0.00 0.173 C +ATOM 4662 N VAL A 501 146.652 189.899 178.179 1.00 0.00 -0.343 N +ATOM 4663 CB VAL A 501 148.335 188.075 178.302 1.00 0.00 0.015 C +ATOM 4664 CG1 VAL A 501 148.669 186.772 179.020 1.00 0.00 0.010 C +ATOM 4665 CG2 VAL A 501 148.130 187.817 176.819 1.00 0.00 0.010 C +ATOM 4666 H VAL A 501 147.206 190.160 177.575 1.00 0.00 0.164 HD +ATOM 4667 C GLU A 502 148.380 188.083 183.219 1.00 0.00 0.242 C +ATOM 4668 O GLU A 502 149.101 187.339 182.556 1.00 0.00 -0.273 OA +ATOM 4669 CA GLU A 502 147.004 188.497 182.711 1.00 0.00 0.171 C +ATOM 4670 N GLU A 502 146.860 188.251 181.283 1.00 0.00 -0.344 N +ATOM 4671 CB GLU A 502 145.914 187.758 183.483 1.00 0.00 0.041 C +ATOM 4672 CG GLU A 502 144.547 188.401 183.374 1.00 0.00 0.055 C +ATOM 4673 CD GLU A 502 143.434 187.470 183.800 1.00 0.00 0.041 C +ATOM 4674 OE1 GLU A 502 142.893 187.653 184.909 1.00 0.00 -0.548 OA +ATOM 4675 OE2 GLU A 502 143.097 186.554 183.021 1.00 0.00 -0.549 OA +ATOM 4676 H GLU A 502 146.430 187.530 181.097 1.00 0.00 0.164 HD +ATOM 4677 C LEU A 503 150.392 186.896 185.228 1.00 0.00 0.243 C +ATOM 4678 O LEU A 503 151.380 186.380 184.706 1.00 0.00 -0.272 OA +ATOM 4679 CA LEU A 503 150.059 188.365 184.969 1.00 0.00 0.172 C +ATOM 4680 N LEU A 503 148.729 188.566 184.406 1.00 0.00 -0.345 N +ATOM 4681 CB LEU A 503 150.194 189.158 186.273 1.00 0.00 0.038 C +ATOM 4682 CG LEU A 503 151.463 188.921 187.097 1.00 0.00 -0.015 C +ATOM 4683 CD1 LEU A 503 152.711 189.196 186.271 1.00 0.00 0.007 C +ATOM 4684 CD2 LEU A 503 151.452 189.779 188.353 1.00 0.00 0.007 C +ATOM 4685 H LEU A 503 148.204 189.021 184.914 1.00 0.00 0.165 HD +ATOM 4686 C TYR A 504 150.013 183.852 185.374 1.00 0.00 0.243 C +ATOM 4687 O TYR A 504 150.989 183.106 185.318 1.00 0.00 -0.272 OA +ATOM 4688 CA TYR A 504 149.903 184.880 186.502 1.00 0.00 0.175 C +ATOM 4689 N TYR A 504 149.575 186.228 186.037 1.00 0.00 -0.343 N +ATOM 4690 CB TYR A 504 148.875 184.400 187.526 1.00 0.00 0.070 C +ATOM 4691 CG TYR A 504 149.168 183.019 188.059 1.00 0.00 -0.045 A +ATOM 4692 CD1 TYR A 504 148.291 181.966 187.843 1.00 0.00 0.007 A +ATOM 4693 CD2 TYR A 504 150.334 182.766 188.763 1.00 0.00 0.007 A +ATOM 4694 CE1 TYR A 504 148.562 180.700 188.326 1.00 0.00 0.046 A +ATOM 4695 CE2 TYR A 504 150.616 181.505 189.247 1.00 0.00 0.046 A +ATOM 4696 CZ TYR A 504 149.728 180.477 189.028 1.00 0.00 0.115 A +ATOM 4697 OH TYR A 504 150.010 179.221 189.511 1.00 0.00 -0.507 OA +ATOM 4698 HH TYR A 504 150.746 179.228 189.916 1.00 0.00 0.294 HD +ATOM 4699 H TYR A 504 148.826 186.531 186.332 1.00 0.00 0.164 HD +ATOM 4700 C PRO A 505 150.305 183.005 182.498 1.00 0.00 0.243 C +ATOM 4701 O PRO A 505 150.957 182.041 182.102 1.00 0.00 -0.271 OA +ATOM 4702 CA PRO A 505 149.103 182.792 183.410 1.00 0.00 0.175 C +ATOM 4703 N PRO A 505 149.017 183.800 184.472 1.00 0.00 -0.329 N +ATOM 4704 CB PRO A 505 147.792 182.982 182.634 1.00 0.00 0.037 C +ATOM 4705 CG PRO A 505 146.899 183.748 183.546 1.00 0.00 0.024 C +ATOM 4706 CD PRO A 505 147.804 184.624 184.338 1.00 0.00 0.121 C +ATOM 4707 C ALA A 506 153.029 184.138 181.898 1.00 0.00 0.243 C +ATOM 4708 O ALA A 506 153.902 183.664 181.176 1.00 0.00 -0.272 OA +ATOM 4709 CA ALA A 506 151.702 184.604 181.305 1.00 0.00 0.168 C +ATOM 4710 N ALA A 506 150.588 184.263 182.177 1.00 0.00 -0.344 N +ATOM 4711 CB ALA A 506 151.732 186.095 181.057 1.00 0.00 0.041 C +ATOM 4712 H ALA A 506 150.144 184.944 182.456 1.00 0.00 0.164 HD +ATOM 4713 C LEU A 507 154.693 182.387 183.729 1.00 0.00 0.243 C +ATOM 4714 O LEU A 507 155.855 181.989 183.654 1.00 0.00 -0.272 OA +ATOM 4715 CA LEU A 507 154.395 183.870 183.903 1.00 0.00 0.172 C +ATOM 4716 N LEU A 507 153.171 184.272 183.213 1.00 0.00 -0.345 N +ATOM 4717 CB LEU A 507 154.300 184.192 185.397 1.00 0.00 0.038 C +ATOM 4718 CG LEU A 507 154.512 185.643 185.829 1.00 0.00 -0.015 C +ATOM 4719 CD1 LEU A 507 154.192 185.794 187.306 1.00 0.00 0.007 C +ATOM 4720 CD2 LEU A 507 155.934 186.091 185.545 1.00 0.00 0.007 C +ATOM 4721 H LEU A 507 152.568 184.596 183.734 1.00 0.00 0.165 HD +ATOM 4722 C LEU A 508 153.933 179.610 182.171 1.00 0.00 0.243 C +ATOM 4723 O LEU A 508 154.560 178.576 181.940 1.00 0.00 -0.272 OA +ATOM 4724 CA LEU A 508 153.809 180.123 183.605 1.00 0.00 0.172 C +ATOM 4725 N LEU A 508 153.645 181.572 183.673 1.00 0.00 -0.345 N +ATOM 4726 CB LEU A 508 152.643 179.427 184.308 1.00 0.00 0.038 C +ATOM 4727 CG LEU A 508 152.500 179.706 185.811 1.00 0.00 -0.015 C +ATOM 4728 CD1 LEU A 508 151.410 178.838 186.408 1.00 0.00 0.007 C +ATOM 4729 CD2 LEU A 508 153.809 179.485 186.553 1.00 0.00 0.007 C +ATOM 4730 H LEU A 508 152.825 181.833 183.672 1.00 0.00 0.165 HD +ATOM 4731 C VAL A 509 154.617 180.637 179.120 1.00 0.00 0.243 C +ATOM 4732 O VAL A 509 154.857 180.419 177.933 1.00 0.00 -0.272 OA +ATOM 4733 CA VAL A 509 153.454 179.931 179.811 1.00 0.00 0.173 C +ATOM 4734 N VAL A 509 153.346 180.322 181.215 1.00 0.00 -0.343 N +ATOM 4735 CB VAL A 509 152.160 180.231 179.014 1.00 0.00 0.015 C +ATOM 4736 CG1 VAL A 509 150.969 179.526 179.642 1.00 0.00 0.010 C +ATOM 4737 CG2 VAL A 509 151.914 181.731 178.920 1.00 0.00 0.010 C +ATOM 4738 H VAL A 509 152.881 181.033 181.350 1.00 0.00 0.164 HD +ATOM 4739 C GLU A 510 157.558 181.351 178.791 1.00 0.00 0.242 C +ATOM 4740 O GLU A 510 157.893 180.365 179.445 1.00 0.00 -0.273 OA +ATOM 4741 CA GLU A 510 156.422 182.253 179.252 1.00 0.00 0.171 C +ATOM 4742 N GLU A 510 155.337 181.482 179.852 1.00 0.00 -0.344 N +ATOM 4743 CB GLU A 510 156.969 183.296 180.231 1.00 0.00 0.041 C +ATOM 4744 CG GLU A 510 158.006 184.221 179.601 1.00 0.00 0.055 C +ATOM 4745 CD GLU A 510 158.519 185.293 180.549 1.00 0.00 0.041 C +ATOM 4746 OE1 GLU A 510 158.547 185.054 181.776 1.00 0.00 -0.548 OA +ATOM 4747 OE2 GLU A 510 158.896 186.379 180.060 1.00 0.00 -0.549 OA +ATOM 4748 H GLU A 510 155.219 181.628 180.691 1.00 0.00 0.164 HD +ATOM 4749 C LYS A 511 160.426 181.039 178.216 1.00 0.00 0.242 C +ATOM 4750 O LYS A 511 160.895 182.094 178.644 1.00 0.00 -0.273 OA +ATOM 4751 CA LYS A 511 159.337 181.064 177.140 1.00 0.00 0.171 C +ATOM 4752 N LYS A 511 158.133 181.704 177.647 1.00 0.00 -0.344 N +ATOM 4753 CB LYS A 511 159.832 181.810 175.901 1.00 0.00 0.035 C +ATOM 4754 CG LYS A 511 161.056 181.215 175.221 1.00 0.00 0.008 C +ATOM 4755 CD LYS A 511 161.768 182.281 174.402 1.00 0.00 0.061 C +ATOM 4756 CE LYS A 511 162.439 181.705 173.167 1.00 0.00 0.258 C +ATOM 4757 NZ LYS A 511 163.435 180.650 173.492 1.00 0.00 -0.357 N +ATOM 4758 HZ1 LYS A 511 163.804 180.340 172.744 1.00 0.00 0.345 HD +ATOM 4759 HZ2 LYS A 511 164.074 180.986 174.013 1.00 0.00 0.345 HD +ATOM 4760 HZ3 LYS A 511 163.037 179.978 173.919 1.00 0.00 0.345 HD +ATOM 4761 H LYS A 511 157.836 182.328 177.135 1.00 0.00 0.164 HD +ATOM 4762 C PRO A 512 163.237 180.282 179.096 1.00 0.00 0.243 C +ATOM 4763 O PRO A 512 163.405 180.320 177.878 1.00 0.00 -0.271 OA +ATOM 4764 CA PRO A 512 161.907 179.808 179.663 1.00 0.00 0.175 C +ATOM 4765 N PRO A 512 160.828 179.841 178.670 1.00 0.00 -0.329 N +ATOM 4766 CB PRO A 512 161.992 178.324 180.048 1.00 0.00 0.037 C +ATOM 4767 CG PRO A 512 160.718 177.715 179.586 1.00 0.00 0.024 C +ATOM 4768 CD PRO A 512 160.298 178.496 178.391 1.00 0.00 0.121 C +ATOM 4769 C ARG A 513 166.097 179.474 179.130 1.00 0.00 0.242 C +ATOM 4770 O ARG A 513 165.522 178.445 179.481 1.00 0.00 -0.273 OA +ATOM 4771 CA ARG A 513 165.551 180.835 179.558 1.00 0.00 0.171 C +ATOM 4772 N ARG A 513 164.170 180.641 179.971 1.00 0.00 -0.344 N +ATOM 4773 CB ARG A 513 166.394 181.433 180.688 1.00 0.00 0.038 C +ATOM 4774 CG ARG A 513 166.756 182.903 180.510 1.00 0.00 0.040 C +ATOM 4775 CD ARG A 513 165.555 183.819 180.682 1.00 0.00 0.197 C +ATOM 4776 NE ARG A 513 165.948 185.227 180.744 1.00 0.00 -0.278 N +ATOM 4777 HE ARG A 513 165.962 185.670 180.007 1.00 0.00 0.260 HD +ATOM 4778 CZ ARG A 513 166.286 185.872 181.857 1.00 0.00 0.339 C +ATOM 4779 NH1 ARG A 513 166.286 185.249 183.028 1.00 0.00 -0.290 N +ATOM 4780 NH2 ARG A 513 166.629 187.153 181.803 1.00 0.00 -0.290 N +ATOM 4781 HH12 ARG A 513 166.066 184.419 183.074 1.00 0.00 0.256 HD +ATOM 4782 HH11 ARG A 513 166.507 185.675 183.742 1.00 0.00 0.256 HD +ATOM 4783 HH22 ARG A 513 166.631 187.566 181.049 1.00 0.00 0.256 HD +ATOM 4784 HH21 ARG A 513 166.847 187.571 182.522 1.00 0.00 0.256 HD +ATOM 4785 H ARG A 513 164.028 180.779 180.808 1.00 0.00 0.164 HD +ATOM 4786 C PRO A 514 168.051 177.182 178.974 1.00 0.00 0.243 C +ATOM 4787 O PRO A 514 168.916 177.414 179.816 1.00 0.00 -0.271 OA +ATOM 4788 CA PRO A 514 167.762 178.198 177.868 1.00 0.00 0.175 C +ATOM 4789 N PRO A 514 167.206 179.460 178.373 1.00 0.00 -0.329 N +ATOM 4790 CB PRO A 514 169.058 178.639 177.176 1.00 0.00 0.037 C +ATOM 4791 CG PRO A 514 168.840 180.068 176.832 1.00 0.00 0.024 C +ATOM 4792 CD PRO A 514 167.986 180.626 177.924 1.00 0.00 0.121 C +ATOM 4793 C ASP A 515 167.311 175.632 181.391 1.00 0.00 0.242 C +ATOM 4794 O ASP A 515 167.963 175.178 182.332 1.00 0.00 -0.273 OA +ATOM 4795 CA ASP A 515 167.441 175.038 179.988 1.00 0.00 0.176 C +ATOM 4796 N ASP A 515 167.321 176.068 178.958 1.00 0.00 -0.343 N +ATOM 4797 CB ASP A 515 168.771 174.294 179.855 1.00 0.00 0.087 C +ATOM 4798 CG ASP A 515 168.884 173.533 178.550 1.00 0.00 0.044 C +ATOM 4799 OD1 ASP A 515 168.260 172.458 178.433 1.00 0.00 -0.548 OA +ATOM 4800 OD2 ASP A 515 169.601 174.008 177.644 1.00 0.00 -0.549 OA +ATOM 4801 H ASP A 515 166.740 175.883 178.352 1.00 0.00 0.164 HD +ATOM 4802 C ALA A 516 164.830 176.941 183.310 1.00 0.00 0.243 C +ATOM 4803 O ALA A 516 163.961 176.518 182.547 1.00 0.00 -0.272 OA +ATOM 4804 CA ALA A 516 166.216 177.303 182.797 1.00 0.00 0.168 C +ATOM 4805 N ALA A 516 166.468 176.652 181.516 1.00 0.00 -0.344 N +ATOM 4806 CB ALA A 516 166.355 178.805 182.666 1.00 0.00 0.041 C +ATOM 4807 H ALA A 516 166.023 176.991 180.863 1.00 0.00 0.164 HD +ATOM 4808 C ILE A 517 162.345 177.914 185.027 1.00 0.00 0.243 C +ATOM 4809 O ILE A 517 161.139 177.674 184.994 1.00 0.00 -0.272 OA +ATOM 4810 CA ILE A 517 163.359 176.789 185.238 1.00 0.00 0.174 C +ATOM 4811 N ILE A 517 164.629 177.114 184.611 1.00 0.00 -0.343 N +ATOM 4812 CB ILE A 517 163.541 176.517 186.751 1.00 0.00 0.018 C +ATOM 4813 CG2 ILE A 517 163.994 177.780 187.475 1.00 0.00 0.010 C +ATOM 4814 CG1 ILE A 517 162.246 175.975 187.356 1.00 0.00 0.002 C +ATOM 4815 CD1 ILE A 517 162.402 175.473 188.778 1.00 0.00 0.004 C +ATOM 4816 H ILE A 517 165.219 177.422 185.155 1.00 0.00 0.164 HD +ATOM 4817 C PHE A 518 162.201 181.056 183.428 1.00 0.00 0.243 C +ATOM 4818 O PHE A 518 163.226 180.905 182.764 1.00 0.00 -0.272 OA +ATOM 4819 CA PHE A 518 162.000 180.322 184.747 1.00 0.00 0.175 C +ATOM 4820 N PHE A 518 162.847 179.136 184.872 1.00 0.00 -0.343 N +ATOM 4821 CB PHE A 518 162.274 181.299 185.894 1.00 0.00 0.070 C +ATOM 4822 CG PHE A 518 161.949 180.756 187.252 1.00 0.00 -0.045 A +ATOM 4823 CD1 PHE A 518 160.754 180.098 187.486 1.00 0.00 0.004 A +ATOM 4824 CD2 PHE A 518 162.843 180.902 188.298 1.00 0.00 0.004 A +ATOM 4825 CE1 PHE A 518 160.456 179.601 188.737 1.00 0.00 0.000 A +ATOM 4826 CE2 PHE A 518 162.552 180.403 189.550 1.00 0.00 0.000 A +ATOM 4827 CZ PHE A 518 161.357 179.752 189.771 1.00 0.00 0.000 A +ATOM 4828 H PHE A 518 163.689 179.309 184.836 1.00 0.00 0.164 HD +ATOM 4829 C GLY A 519 161.857 184.115 182.462 1.00 0.00 0.239 C +ATOM 4830 O GLY A 519 162.063 184.294 183.662 1.00 0.00 -0.273 OA +ATOM 4831 CA GLY A 519 161.321 182.788 181.963 1.00 0.00 0.216 C +ATOM 4832 N GLY A 519 161.205 181.859 183.068 1.00 0.00 -0.346 N +ATOM 4833 H GLY A 519 160.439 181.880 183.459 1.00 0.00 0.164 HD +ATOM 4834 C GLU A 520 161.878 187.106 182.921 1.00 0.00 0.242 C +ATOM 4835 O GLU A 520 162.460 187.625 183.871 1.00 0.00 -0.273 OA +ATOM 4836 CA GLU A 520 162.662 186.340 181.854 1.00 0.00 0.171 C +ATOM 4837 N GLU A 520 162.079 185.042 181.539 1.00 0.00 -0.344 N +ATOM 4838 CB GLU A 520 162.755 187.183 180.579 1.00 0.00 0.041 C +ATOM 4839 CG GLU A 520 163.258 188.610 180.783 1.00 0.00 0.055 C +ATOM 4840 CD GLU A 520 163.209 189.433 179.512 1.00 0.00 0.041 C +ATOM 4841 OE1 GLU A 520 162.293 189.208 178.692 1.00 0.00 -0.548 OA +ATOM 4842 OE2 GLU A 520 164.085 190.306 179.332 1.00 0.00 -0.549 OA +ATOM 4843 H GLU A 520 161.896 184.941 180.705 1.00 0.00 0.164 HD +ATOM 4844 C THR A 521 159.687 187.580 185.051 1.00 0.00 0.245 C +ATOM 4845 O THR A 521 159.675 188.411 185.958 1.00 0.00 -0.273 OA +ATOM 4846 CA THR A 521 159.735 188.036 183.595 1.00 0.00 0.199 C +ATOM 4847 N THR A 521 160.561 187.169 182.761 1.00 0.00 -0.341 N +ATOM 4848 CB THR A 521 158.297 188.118 183.058 1.00 0.00 0.143 C +ATOM 4849 CG2 THR A 521 157.517 189.202 183.788 1.00 0.00 0.041 C +ATOM 4850 OG1 THR A 521 158.324 188.416 181.657 1.00 0.00 -0.389 OA +ATOM 4851 HG1 THR A 521 158.738 187.814 181.243 1.00 0.00 0.211 HD +ATOM 4852 H THR A 521 160.120 186.718 182.177 1.00 0.00 0.164 HD +ATOM 4853 C MET A 522 160.846 186.219 187.408 1.00 0.00 0.242 C +ATOM 4854 O MET A 522 160.723 186.657 188.549 1.00 0.00 -0.272 OA +ATOM 4855 CA MET A 522 159.633 185.727 186.626 1.00 0.00 0.172 C +ATOM 4856 N MET A 522 159.647 186.270 185.272 1.00 0.00 -0.344 N +ATOM 4857 CB MET A 522 159.614 184.198 186.596 1.00 0.00 0.046 C +ATOM 4858 CG MET A 522 159.572 183.540 187.974 1.00 0.00 0.072 C +ATOM 4859 SD MET A 522 157.954 183.648 188.755 1.00 0.00 -0.165 SA +ATOM 4860 CE MET A 522 157.078 182.354 187.881 1.00 0.00 0.085 C +ATOM 4861 H MET A 522 159.627 185.673 184.654 1.00 0.00 0.164 HD +ATOM 4862 C VAL A 523 163.319 188.058 187.664 1.00 0.00 0.243 C +ATOM 4863 O VAL A 523 163.590 188.500 188.778 1.00 0.00 -0.272 OA +ATOM 4864 CA VAL A 523 163.257 186.553 187.422 1.00 0.00 0.173 C +ATOM 4865 N VAL A 523 162.013 186.148 186.781 1.00 0.00 -0.343 N +ATOM 4866 CB VAL A 523 164.475 186.126 186.575 1.00 0.00 0.015 C +ATOM 4867 CG1 VAL A 523 165.768 186.780 187.086 1.00 0.00 0.010 C +ATOM 4868 CG2 VAL A 523 164.607 184.614 186.578 1.00 0.00 0.010 C +ATOM 4869 H VAL A 523 162.113 185.865 185.975 1.00 0.00 0.164 HD +ATOM 4870 C GLU A 524 162.274 190.983 187.587 1.00 0.00 0.242 C +ATOM 4871 O GLU A 524 162.542 192.065 188.106 1.00 0.00 -0.273 OA +ATOM 4872 CA GLU A 524 163.295 190.284 186.693 1.00 0.00 0.171 C +ATOM 4873 N GLU A 524 163.076 188.843 186.621 1.00 0.00 -0.344 N +ATOM 4874 CB GLU A 524 163.272 190.897 185.291 1.00 0.00 0.041 C +ATOM 4875 CG GLU A 524 164.323 190.323 184.346 1.00 0.00 0.055 C +ATOM 4876 CD GLU A 524 165.738 190.470 184.874 1.00 0.00 0.041 C +ATOM 4877 OE1 GLU A 524 166.072 191.552 185.399 1.00 0.00 -0.548 OA +ATOM 4878 OE2 GLU A 524 166.516 189.498 184.764 1.00 0.00 -0.549 OA +ATOM 4879 H GLU A 524 162.784 188.567 185.860 1.00 0.00 0.164 HD +ATOM 4880 C VAL A 525 160.310 190.365 190.089 1.00 0.00 0.243 C +ATOM 4881 O VAL A 525 160.110 191.083 191.069 1.00 0.00 -0.272 OA +ATOM 4882 CA VAL A 525 160.094 190.896 188.674 1.00 0.00 0.173 C +ATOM 4883 N VAL A 525 161.110 190.366 187.769 1.00 0.00 -0.343 N +ATOM 4884 CB VAL A 525 158.667 190.538 188.207 1.00 0.00 0.015 C +ATOM 4885 CG1 VAL A 525 157.625 190.996 189.225 1.00 0.00 0.010 C +ATOM 4886 CG2 VAL A 525 158.383 191.163 186.849 1.00 0.00 0.010 C +ATOM 4887 H VAL A 525 160.883 189.635 187.378 1.00 0.00 0.164 HD +ATOM 4888 C GLY A 526 162.087 188.862 192.271 1.00 0.00 0.239 C +ATOM 4889 O GLY A 526 161.993 189.062 193.480 1.00 0.00 -0.273 OA +ATOM 4890 CA GLY A 526 160.866 188.445 191.470 1.00 0.00 0.216 C +ATOM 4891 N GLY A 526 160.726 189.107 190.185 1.00 0.00 -0.346 N +ATOM 4892 H GLY A 526 160.935 188.613 189.513 1.00 0.00 0.164 HD +ATOM 4893 C ALA A 527 164.505 190.481 193.181 1.00 0.00 0.243 C +ATOM 4894 O ALA A 527 165.047 190.438 194.283 1.00 0.00 -0.272 OA +ATOM 4895 CA ALA A 527 164.501 189.236 192.284 1.00 0.00 0.168 C +ATOM 4896 N ALA A 527 163.229 188.997 191.602 1.00 0.00 -0.344 N +ATOM 4897 CB ALA A 527 165.631 189.327 191.261 1.00 0.00 0.041 C +ATOM 4898 H ALA A 527 163.295 188.955 190.746 1.00 0.00 0.164 HD +ATOM 4899 C PRO A 528 163.071 192.610 194.863 1.00 0.00 0.243 C +ATOM 4900 O PRO A 528 163.559 193.004 195.921 1.00 0.00 -0.271 OA +ATOM 4901 CA PRO A 528 163.844 192.797 193.554 1.00 0.00 0.175 C +ATOM 4902 N PRO A 528 163.908 191.592 192.717 1.00 0.00 -0.329 N +ATOM 4903 CB PRO A 528 163.126 193.804 192.651 1.00 0.00 0.037 C +ATOM 4904 CG PRO A 528 163.399 193.340 191.282 1.00 0.00 0.024 C +ATOM 4905 CD PRO A 528 163.392 191.854 191.362 1.00 0.00 0.121 C +ATOM 4906 C PHE A 529 161.892 190.886 196.947 1.00 0.00 0.243 C +ATOM 4907 O PHE A 529 161.895 191.129 198.153 1.00 0.00 -0.272 OA +ATOM 4908 CA PHE A 529 161.087 191.741 195.974 1.00 0.00 0.175 C +ATOM 4909 N PHE A 529 161.874 192.040 194.782 1.00 0.00 -0.343 N +ATOM 4910 CB PHE A 529 159.794 191.013 195.600 1.00 0.00 0.070 C +ATOM 4911 CG PHE A 529 158.823 191.844 194.808 1.00 0.00 -0.045 A +ATOM 4912 CD1 PHE A 529 158.480 193.120 195.217 1.00 0.00 0.004 A +ATOM 4913 CD2 PHE A 529 158.247 191.341 193.656 1.00 0.00 0.004 A +ATOM 4914 CE1 PHE A 529 157.584 193.876 194.492 1.00 0.00 0.000 A +ATOM 4915 CE2 PHE A 529 157.350 192.095 192.926 1.00 0.00 0.000 A +ATOM 4916 CZ PHE A 529 157.018 193.363 193.345 1.00 0.00 0.000 A +ATOM 4917 H PHE A 529 161.492 191.815 194.044 1.00 0.00 0.164 HD +ATOM 4918 C SER A 530 164.488 189.614 197.948 1.00 0.00 0.244 C +ATOM 4919 O SER A 530 164.605 189.509 199.164 1.00 0.00 -0.272 OA +ATOM 4920 CA SER A 530 163.335 188.940 197.214 1.00 0.00 0.197 C +ATOM 4921 N SER A 530 162.579 189.886 196.406 1.00 0.00 -0.342 N +ATOM 4922 CB SER A 530 163.871 187.809 196.334 1.00 0.00 0.191 C +ATOM 4923 OG SER A 530 164.668 186.912 197.088 1.00 0.00 -0.392 OA +ATOM 4924 HG SER A 530 164.955 186.298 196.592 1.00 0.00 0.210 HD +ATOM 4925 H SER A 530 162.622 189.733 195.561 1.00 0.00 0.164 HD +ATOM 4926 C LEU A 531 166.141 192.008 198.781 1.00 0.00 0.243 C +ATOM 4927 O LEU A 531 166.828 192.204 199.783 1.00 0.00 -0.272 OA +ATOM 4928 CA LEU A 531 166.519 190.938 197.771 1.00 0.00 0.172 C +ATOM 4929 N LEU A 531 165.339 190.304 197.200 1.00 0.00 -0.345 N +ATOM 4930 CB LEU A 531 167.375 191.544 196.667 1.00 0.00 0.038 C +ATOM 4931 CG LEU A 531 168.035 190.520 195.749 1.00 0.00 -0.015 C +ATOM 4932 CD1 LEU A 531 168.548 191.195 194.489 1.00 0.00 0.007 C +ATOM 4933 CD2 LEU A 531 169.162 189.815 196.480 1.00 0.00 0.007 C +ATOM 4934 H LEU A 531 165.254 190.421 196.353 1.00 0.00 0.165 HD +ATOM 4935 C LYS A 532 164.067 193.187 200.695 1.00 0.00 0.242 C +ATOM 4936 O LYS A 532 164.187 193.819 201.744 1.00 0.00 -0.273 OA +ATOM 4937 CA LYS A 532 164.569 193.761 199.370 1.00 0.00 0.171 C +ATOM 4938 N LYS A 532 165.044 192.697 198.503 1.00 0.00 -0.344 N +ATOM 4939 CB LYS A 532 163.469 194.549 198.661 1.00 0.00 0.035 C +ATOM 4940 CG LYS A 532 162.951 195.738 199.425 1.00 0.00 0.008 C +ATOM 4941 CD LYS A 532 164.026 196.780 199.660 1.00 0.00 0.061 C +ATOM 4942 CE LYS A 532 163.453 197.947 200.427 1.00 0.00 0.258 C +ATOM 4943 NZ LYS A 532 164.480 198.658 201.207 1.00 0.00 -0.357 N +ATOM 4944 HZ1 LYS A 532 164.111 199.338 201.647 1.00 0.00 0.345 HD +ATOM 4945 HZ2 LYS A 532 164.854 198.103 201.794 1.00 0.00 0.345 HD +ATOM 4946 HZ3 LYS A 532 165.111 198.973 200.664 1.00 0.00 0.345 HD +ATOM 4947 H LYS A 532 164.553 192.565 197.810 1.00 0.00 0.164 HD +ATOM 4948 C GLY A 533 164.218 190.746 202.637 1.00 0.00 0.239 C +ATOM 4949 O GLY A 533 164.170 190.687 203.865 1.00 0.00 -0.273 OA +ATOM 4950 CA GLY A 533 163.054 191.302 201.838 1.00 0.00 0.216 C +ATOM 4951 N GLY A 533 163.512 191.981 200.641 1.00 0.00 -0.346 N +ATOM 4952 H GLY A 533 163.390 191.535 199.916 1.00 0.00 0.164 HD +ATOM 4953 C LEU A 534 167.371 190.772 203.192 1.00 0.00 0.243 C +ATOM 4954 O LEU A 534 167.691 190.685 204.377 1.00 0.00 -0.272 OA +ATOM 4955 CA LEU A 534 166.434 189.736 202.565 1.00 0.00 0.172 C +ATOM 4956 N LEU A 534 165.271 190.347 201.934 1.00 0.00 -0.345 N +ATOM 4957 CB LEU A 534 167.195 188.889 201.542 1.00 0.00 0.038 C +ATOM 4958 CG LEU A 534 166.442 187.658 201.031 1.00 0.00 -0.015 C +ATOM 4959 CD1 LEU A 534 167.065 187.136 199.749 1.00 0.00 0.007 C +ATOM 4960 CD2 LEU A 534 166.414 186.569 202.090 1.00 0.00 0.007 C +ATOM 4961 H LEU A 534 165.337 190.419 201.080 1.00 0.00 0.165 HD +ATOM 4962 C MET A 535 168.060 193.877 203.644 1.00 0.00 0.242 C +ATOM 4963 O MET A 535 168.704 194.617 204.387 1.00 0.00 -0.272 OA +ATOM 4964 CA MET A 535 168.753 192.751 202.884 1.00 0.00 0.172 C +ATOM 4965 N MET A 535 167.805 191.750 202.403 1.00 0.00 -0.344 N +ATOM 4966 CB MET A 535 169.557 193.331 201.720 1.00 0.00 0.046 C +ATOM 4967 CG MET A 535 170.387 192.306 200.951 1.00 0.00 0.072 C +ATOM 4968 SD MET A 535 171.418 191.253 201.994 1.00 0.00 -0.165 SA +ATOM 4969 CE MET A 535 172.508 192.456 202.751 1.00 0.00 0.085 C +ATOM 4970 H MET A 535 167.566 191.856 201.584 1.00 0.00 0.164 HD +ATOM 4971 C GLY A 536 165.719 194.641 205.612 1.00 0.00 0.239 C +ATOM 4972 O GLY A 536 165.145 195.425 206.365 1.00 0.00 -0.273 OA +ATOM 4973 CA GLY A 536 165.982 195.014 204.166 1.00 0.00 0.216 C +ATOM 4974 N GLY A 536 166.751 194.005 203.461 1.00 0.00 -0.346 N +ATOM 4975 H GLY A 536 166.285 193.515 202.929 1.00 0.00 0.164 HD +ATOM 4976 C ASN A 537 166.822 193.774 208.346 1.00 0.00 0.242 C +ATOM 4977 O ASN A 537 167.960 194.135 208.042 1.00 0.00 -0.273 OA +ATOM 4978 CA ASN A 537 165.970 192.970 207.368 1.00 0.00 0.180 C +ATOM 4979 N ASN A 537 166.132 193.440 205.999 1.00 0.00 -0.342 N +ATOM 4980 CB ASN A 537 166.330 191.487 207.452 1.00 0.00 0.134 C +ATOM 4981 CG ASN A 537 165.869 190.844 208.743 1.00 0.00 0.220 C +ATOM 4982 OD1 ASN A 537 166.513 190.975 209.781 1.00 0.00 -0.275 OA +ATOM 4983 ND2 ASN A 537 164.750 190.137 208.681 1.00 0.00 -0.368 N +ATOM 4984 HD22 ASN A 537 164.445 189.751 209.386 1.00 0.00 0.159 HD +ATOM 4985 HD21 ASN A 537 164.328 190.063 207.935 1.00 0.00 0.159 HD +ATOM 4986 H ASN A 537 166.515 192.872 205.480 1.00 0.00 0.164 HD +ATOM 4987 C VAL A 538 168.325 194.366 210.920 1.00 0.00 0.243 C +ATOM 4988 O VAL A 538 169.196 195.173 211.238 1.00 0.00 -0.272 OA +ATOM 4989 CA VAL A 538 166.926 194.866 210.534 1.00 0.00 0.173 C +ATOM 4990 N VAL A 538 166.266 194.043 209.524 1.00 0.00 -0.343 N +ATOM 4991 CB VAL A 538 166.054 194.969 211.827 1.00 0.00 0.015 C +ATOM 4992 CG1 VAL A 538 165.661 193.596 212.331 1.00 0.00 0.010 C +ATOM 4993 CG2 VAL A 538 166.771 195.752 212.920 1.00 0.00 0.010 C +ATOM 4994 H VAL A 538 165.492 193.755 209.766 1.00 0.00 0.164 HD +ATOM 4995 C ILE A 539 170.954 192.881 210.323 1.00 0.00 0.243 C +ATOM 4996 O ILE A 539 172.138 192.753 210.634 1.00 0.00 -0.272 OA +ATOM 4997 CA ILE A 539 169.844 192.524 211.316 1.00 0.00 0.174 C +ATOM 4998 N ILE A 539 168.548 193.055 210.894 1.00 0.00 -0.343 N +ATOM 4999 CB ILE A 539 169.827 190.986 211.509 1.00 0.00 0.018 C +ATOM 5000 CG2 ILE A 539 168.689 190.576 212.437 1.00 0.00 0.010 C +ATOM 5001 CG1 ILE A 539 169.736 190.234 210.172 1.00 0.00 0.002 C +ATOM 5002 CD1 ILE A 539 170.258 188.826 210.253 1.00 0.00 0.004 C +ATOM 5003 H ILE A 539 167.980 192.461 210.642 1.00 0.00 0.164 HD +ATOM 5004 C CYS A 540 171.925 195.190 208.266 1.00 0.00 0.243 C +ATOM 5005 O CYS A 540 172.855 195.655 207.607 1.00 0.00 -0.272 OA +ATOM 5006 CA CYS A 540 171.525 193.725 208.109 1.00 0.00 0.181 C +ATOM 5007 N CYS A 540 170.566 193.319 209.129 1.00 0.00 -0.342 N +ATOM 5008 CB CYS A 540 170.951 193.493 206.709 1.00 0.00 0.101 C +ATOM 5009 SG CYS A 540 170.522 191.778 206.346 1.00 0.00 -0.177 SA +ATOM 5010 HG CYS A 540 171.508 191.101 206.439 1.00 0.00 0.102 HD +ATOM 5011 H CYS A 540 169.744 193.390 208.884 1.00 0.00 0.164 HD +ATOM 5012 C SER A 541 172.813 197.433 210.212 1.00 0.00 0.244 C +ATOM 5013 O SER A 541 173.101 196.550 211.015 1.00 0.00 -0.272 OA +ATOM 5014 CA SER A 541 171.537 197.323 209.371 1.00 0.00 0.197 C +ATOM 5015 N SER A 541 171.223 195.917 209.131 1.00 0.00 -0.342 N +ATOM 5016 CB SER A 541 170.368 198.030 210.066 1.00 0.00 0.191 C +ATOM 5017 OG SER A 541 170.212 197.591 211.405 1.00 0.00 -0.392 OA +ATOM 5018 HG SER A 541 170.064 196.765 211.421 1.00 0.00 0.210 HD +ATOM 5019 H SER A 541 170.560 195.620 209.591 1.00 0.00 0.164 HD +ATOM 5020 C PRO A 542 174.829 198.586 212.226 1.00 0.00 0.243 C +ATOM 5021 O PRO A 542 175.780 198.100 212.838 1.00 0.00 -0.271 OA +ATOM 5022 CA PRO A 542 174.887 198.643 210.695 1.00 0.00 0.175 C +ATOM 5023 N PRO A 542 173.584 198.518 210.027 1.00 0.00 -0.329 N +ATOM 5024 CB PRO A 542 175.397 200.013 210.224 1.00 0.00 0.037 C +ATOM 5025 CG PRO A 542 174.230 200.704 209.614 1.00 0.00 0.024 C +ATOM 5026 CD PRO A 542 173.326 199.641 209.111 1.00 0.00 0.121 C +ATOM 5027 C ALA A 543 173.533 197.559 214.793 1.00 0.00 0.243 C +ATOM 5028 O ALA A 543 173.963 197.257 215.906 1.00 0.00 -0.272 OA +ATOM 5029 CA ALA A 543 173.617 199.002 214.290 1.00 0.00 0.168 C +ATOM 5030 N ALA A 543 173.747 199.061 212.835 1.00 0.00 -0.344 N +ATOM 5031 CB ALA A 543 172.396 199.781 214.741 1.00 0.00 0.041 C +ATOM 5032 H ALA A 543 173.077 199.419 212.432 1.00 0.00 0.164 HD +ATOM 5033 C TYR A 544 173.880 194.337 213.921 1.00 0.00 0.243 C +ATOM 5034 O TYR A 544 174.222 193.406 214.646 1.00 0.00 -0.272 OA +ATOM 5035 CA TYR A 544 172.762 195.284 214.354 1.00 0.00 0.175 C +ATOM 5036 N TYR A 544 172.982 196.675 213.966 1.00 0.00 -0.343 N +ATOM 5037 CB TYR A 544 171.442 194.785 213.772 1.00 0.00 0.070 C +ATOM 5038 CG TYR A 544 170.225 195.146 214.588 1.00 0.00 -0.045 A +ATOM 5039 CD1 TYR A 544 169.736 196.446 214.607 1.00 0.00 0.007 A +ATOM 5040 CD2 TYR A 544 169.556 194.184 215.332 1.00 0.00 0.007 A +ATOM 5041 CE1 TYR A 544 168.620 196.774 215.348 1.00 0.00 0.046 A +ATOM 5042 CE2 TYR A 544 168.444 194.503 216.073 1.00 0.00 0.046 A +ATOM 5043 CZ TYR A 544 167.978 195.797 216.078 1.00 0.00 0.115 A +ATOM 5044 OH TYR A 544 166.868 196.111 216.816 1.00 0.00 -0.507 OA +ATOM 5045 HH TYR A 544 166.691 196.928 216.734 1.00 0.00 0.294 HD +ATOM 5046 H TYR A 544 172.724 196.858 213.166 1.00 0.00 0.164 HD +ATOM 5047 C TRP A 545 176.721 193.678 212.902 1.00 0.00 0.242 C +ATOM 5048 O TRP A 545 177.714 194.195 212.393 1.00 0.00 -0.272 OA +ATOM 5049 CA TRP A 545 175.385 193.611 212.161 1.00 0.00 0.175 C +ATOM 5050 N TRP A 545 174.439 194.560 212.736 1.00 0.00 -0.343 N +ATOM 5051 CB TRP A 545 175.563 193.873 210.667 1.00 0.00 0.072 C +ATOM 5052 CG TRP A 545 176.274 192.773 209.934 1.00 0.00 -0.020 A +ATOM 5053 CD1 TRP A 545 177.479 192.858 209.300 1.00 0.00 0.087 A +ATOM 5054 CD2 TRP A 545 175.825 191.422 209.760 1.00 0.00 0.003 A +ATOM 5055 NE1 TRP A 545 177.806 191.649 208.739 1.00 0.00 -0.359 N +ATOM 5056 CE2 TRP A 545 176.809 190.750 209.008 1.00 0.00 0.046 A +ATOM 5057 CE3 TRP A 545 174.689 190.716 210.165 1.00 0.00 0.010 A +ATOM 5058 HE1 TRP A 545 178.522 191.482 208.293 1.00 0.00 0.166 HD +ATOM 5059 CZ2 TRP A 545 176.693 189.411 208.653 1.00 0.00 0.026 A +ATOM 5060 CZ3 TRP A 545 174.575 189.385 209.812 1.00 0.00 0.001 A +ATOM 5061 CH2 TRP A 545 175.572 188.746 209.063 1.00 0.00 0.002 A +ATOM 5062 H TRP A 545 174.288 195.251 212.246 1.00 0.00 0.164 HD +ATOM 5063 C LYS A 546 177.899 191.804 215.724 1.00 0.00 0.242 C +ATOM 5064 O LYS A 546 176.867 191.175 215.943 1.00 0.00 -0.273 OA +ATOM 5065 CA LYS A 546 177.815 193.169 215.055 1.00 0.00 0.171 C +ATOM 5066 N LYS A 546 176.706 193.132 214.114 1.00 0.00 -0.344 N +ATOM 5067 CB LYS A 546 177.599 194.242 216.125 1.00 0.00 0.035 C +ATOM 5068 CG LYS A 546 177.813 195.682 215.709 1.00 0.00 0.008 C +ATOM 5069 CD LYS A 546 177.249 196.597 216.790 1.00 0.00 0.061 C +ATOM 5070 CE LYS A 546 177.925 197.957 216.839 1.00 0.00 0.258 C +ATOM 5071 NZ LYS A 546 177.466 198.870 215.768 1.00 0.00 -0.357 N +ATOM 5072 HZ1 LYS A 546 177.886 199.652 215.835 1.00 0.00 0.345 HD +ATOM 5073 HZ2 LYS A 546 177.640 198.515 214.971 1.00 0.00 0.345 HD +ATOM 5074 HZ3 LYS A 546 176.589 199.006 215.840 1.00 0.00 0.345 HD +ATOM 5075 H LYS A 546 176.023 192.713 214.427 1.00 0.00 0.164 HD +ATOM 5076 C PRO A 547 178.420 190.084 218.124 1.00 0.00 0.243 C +ATOM 5077 O PRO A 547 177.826 189.077 218.506 1.00 0.00 -0.271 OA +ATOM 5078 CA PRO A 547 179.155 190.054 216.781 1.00 0.00 0.175 C +ATOM 5079 N PRO A 547 179.111 191.336 216.066 1.00 0.00 -0.329 N +ATOM 5080 CB PRO A 547 180.660 189.804 216.981 1.00 0.00 0.037 C +ATOM 5081 CG PRO A 547 181.348 191.078 216.615 1.00 0.00 0.024 C +ATOM 5082 CD PRO A 547 180.450 191.796 215.667 1.00 0.00 0.121 C +ATOM 5083 C SER A 548 176.265 191.090 220.004 1.00 0.00 0.244 C +ATOM 5084 O SER A 548 175.637 190.645 220.965 1.00 0.00 -0.272 OA +ATOM 5085 CA SER A 548 177.768 191.344 220.107 1.00 0.00 0.197 C +ATOM 5086 N SER A 548 178.447 191.217 218.818 1.00 0.00 -0.342 N +ATOM 5087 CB SER A 548 178.009 192.731 220.702 1.00 0.00 0.191 C +ATOM 5088 OG SER A 548 177.644 193.747 219.788 1.00 0.00 -0.392 OA +ATOM 5089 HG SER A 548 178.099 193.678 219.085 1.00 0.00 0.210 HD +ATOM 5090 H SER A 548 178.852 191.932 218.564 1.00 0.00 0.164 HD +ATOM 5091 C THR A 549 173.923 189.684 218.670 1.00 0.00 0.245 C +ATOM 5092 O THR A 549 172.829 189.304 219.086 1.00 0.00 -0.273 OA +ATOM 5093 CA THR A 549 174.267 191.169 218.615 1.00 0.00 0.199 C +ATOM 5094 N THR A 549 175.693 191.379 218.841 1.00 0.00 -0.341 N +ATOM 5095 CB THR A 549 173.825 191.751 217.254 1.00 0.00 0.143 C +ATOM 5096 CG2 THR A 549 172.376 191.394 216.933 1.00 0.00 0.041 C +ATOM 5097 OG1 THR A 549 173.956 193.177 217.279 1.00 0.00 -0.389 OA +ATOM 5098 HG1 THR A 549 173.717 193.501 216.541 1.00 0.00 0.211 HD +ATOM 5099 H THR A 549 176.112 191.700 218.162 1.00 0.00 0.164 HD +ATOM 5100 C PHE A 550 175.419 186.625 219.193 1.00 0.00 0.243 C +ATOM 5101 O PHE A 550 175.700 185.445 219.007 1.00 0.00 -0.272 OA +ATOM 5102 CA PHE A 550 174.639 187.416 218.143 1.00 0.00 0.175 C +ATOM 5103 N PHE A 550 174.871 188.850 218.258 1.00 0.00 -0.343 N +ATOM 5104 CB PHE A 550 175.002 186.949 216.734 1.00 0.00 0.070 C +ATOM 5105 CG PHE A 550 174.390 187.790 215.649 1.00 0.00 -0.045 A +ATOM 5106 CD1 PHE A 550 173.066 187.613 215.281 1.00 0.00 0.004 A +ATOM 5107 CD2 PHE A 550 175.133 188.763 215.006 1.00 0.00 0.004 A +ATOM 5108 CE1 PHE A 550 172.500 188.388 214.288 1.00 0.00 0.000 A +ATOM 5109 CE2 PHE A 550 174.573 189.539 214.014 1.00 0.00 0.000 A +ATOM 5110 CZ PHE A 550 173.257 189.354 213.653 1.00 0.00 0.000 A +ATOM 5111 H PHE A 550 175.665 189.093 218.036 1.00 0.00 0.164 HD +ATOM 5112 C GLY A 551 177.886 186.502 221.380 1.00 0.00 0.239 C +ATOM 5113 O GLY A 551 178.488 185.883 222.254 1.00 0.00 -0.273 OA +ATOM 5114 CA GLY A 551 176.372 186.616 221.431 1.00 0.00 0.216 C +ATOM 5115 N GLY A 551 175.767 187.285 220.293 1.00 0.00 -0.346 N +ATOM 5116 H GLY A 551 175.659 188.131 220.404 1.00 0.00 0.164 HD +ATOM 5117 C GLY A 552 180.340 186.489 218.843 1.00 0.00 0.239 C +ATOM 5118 O GLY A 552 179.499 186.289 217.971 1.00 0.00 -0.273 OA +ATOM 5119 CA GLY A 552 179.942 187.050 220.194 1.00 0.00 0.216 C +ATOM 5120 N GLY A 552 178.499 187.101 220.364 1.00 0.00 -0.346 N +ATOM 5121 H GLY A 552 178.093 187.549 219.753 1.00 0.00 0.164 HD +ATOM 5122 C GLU A 553 181.686 184.368 217.023 1.00 0.00 0.242 C +ATOM 5123 O GLU A 553 181.524 184.063 215.845 1.00 0.00 -0.273 OA +ATOM 5124 CA GLU A 553 182.160 185.771 217.397 1.00 0.00 0.171 C +ATOM 5125 N GLU A 553 181.629 186.222 218.677 1.00 0.00 -0.344 N +ATOM 5126 CB GLU A 553 183.688 185.806 217.420 1.00 0.00 0.041 C +ATOM 5127 CG GLU A 553 184.269 187.202 217.581 1.00 0.00 0.055 C +ATOM 5128 CD GLU A 553 184.069 188.079 216.357 1.00 0.00 0.041 C +ATOM 5129 OE1 GLU A 553 183.602 187.571 215.314 1.00 0.00 -0.548 OA +ATOM 5130 OE2 GLU A 553 184.387 189.284 216.439 1.00 0.00 -0.549 OA +ATOM 5131 H GLU A 553 182.223 186.295 219.295 1.00 0.00 0.164 HD +ATOM 5132 C VAL A 554 179.629 182.171 217.167 1.00 0.00 0.243 C +ATOM 5133 O VAL A 554 179.386 181.554 216.132 1.00 0.00 -0.272 OA +ATOM 5134 CA VAL A 554 181.026 182.154 217.766 1.00 0.00 0.173 C +ATOM 5135 N VAL A 554 181.472 183.517 218.021 1.00 0.00 -0.343 N +ATOM 5136 CB VAL A 554 181.041 181.299 219.052 1.00 0.00 0.015 C +ATOM 5137 CG1 VAL A 554 180.417 179.921 218.808 1.00 0.00 0.010 C +ATOM 5138 CG2 VAL A 554 182.463 181.145 219.560 1.00 0.00 0.010 C +ATOM 5139 H VAL A 554 181.578 183.705 218.853 1.00 0.00 0.164 HD +ATOM 5140 C GLY A 555 177.362 183.676 215.949 1.00 0.00 0.239 C +ATOM 5141 O GLY A 555 176.619 183.276 215.053 1.00 0.00 -0.273 OA +ATOM 5142 CA GLY A 555 177.364 183.022 217.314 1.00 0.00 0.216 C +ATOM 5143 N GLY A 555 178.714 182.879 217.820 1.00 0.00 -0.346 N +ATOM 5144 H GLY A 555 178.856 183.288 218.563 1.00 0.00 0.164 HD +ATOM 5145 C PHE A 556 178.782 184.501 213.424 1.00 0.00 0.243 C +ATOM 5146 O PHE A 556 178.341 184.620 212.279 1.00 0.00 -0.272 OA +ATOM 5147 CA PHE A 556 178.315 185.427 214.544 1.00 0.00 0.175 C +ATOM 5148 N PHE A 556 178.206 184.690 215.796 1.00 0.00 -0.343 N +ATOM 5149 CB PHE A 556 179.288 186.603 214.717 1.00 0.00 0.070 C +ATOM 5150 CG PHE A 556 179.126 187.710 213.704 1.00 0.00 -0.045 A +ATOM 5151 CD1 PHE A 556 177.884 188.051 213.203 1.00 0.00 0.004 A +ATOM 5152 CD2 PHE A 556 180.234 188.419 213.266 1.00 0.00 0.004 A +ATOM 5153 CE1 PHE A 556 177.748 189.069 212.282 1.00 0.00 0.000 A +ATOM 5154 CE2 PHE A 556 180.104 189.439 212.346 1.00 0.00 0.000 A +ATOM 5155 CZ PHE A 556 178.857 189.767 211.854 1.00 0.00 0.000 A +ATOM 5156 H PHE A 556 178.734 184.974 216.412 1.00 0.00 0.164 HD +ATOM 5157 C GLN A 557 179.247 181.644 212.280 1.00 0.00 0.242 C +ATOM 5158 O GLN A 557 179.337 181.173 211.147 1.00 0.00 -0.273 OA +ATOM 5159 CA GLN A 557 180.255 182.676 212.772 1.00 0.00 0.171 C +ATOM 5160 N GLN A 557 179.675 183.575 213.763 1.00 0.00 -0.343 N +ATOM 5161 CB GLN A 557 181.480 181.959 213.346 1.00 0.00 0.045 C +ATOM 5162 CG GLN A 557 182.794 182.314 212.665 1.00 0.00 0.102 C +ATOM 5163 CD GLN A 557 183.571 181.090 212.228 1.00 0.00 0.217 C +ATOM 5164 OE1 GLN A 557 183.705 180.121 212.977 1.00 0.00 -0.275 OA +ATOM 5165 NE2 GLN A 557 184.082 181.124 211.004 1.00 0.00 -0.368 N +ATOM 5166 HE22 GLN A 557 183.963 181.816 210.508 1.00 0.00 0.159 HD +ATOM 5167 HE21 GLN A 557 184.532 180.454 210.707 1.00 0.00 0.159 HD +ATOM 5168 H GLN A 557 179.962 183.448 214.564 1.00 0.00 0.164 HD +ATOM 5169 C ILE A 558 176.491 180.909 211.556 1.00 0.00 0.243 C +ATOM 5170 O ILE A 558 176.189 180.181 210.615 1.00 0.00 -0.272 OA +ATOM 5171 CA ILE A 558 177.241 180.359 212.763 1.00 0.00 0.174 C +ATOM 5172 N ILE A 558 178.296 181.290 213.139 1.00 0.00 -0.343 N +ATOM 5173 CB ILE A 558 176.260 180.107 213.930 1.00 0.00 0.018 C +ATOM 5174 CG2 ILE A 558 175.048 179.307 213.457 1.00 0.00 0.010 C +ATOM 5175 CG1 ILE A 558 176.975 179.364 215.063 1.00 0.00 0.002 C +ATOM 5176 CD1 ILE A 558 176.146 179.183 216.317 1.00 0.00 0.004 C +ATOM 5177 H ILE A 558 178.240 181.576 213.948 1.00 0.00 0.164 HD +ATOM 5178 C ILE A 559 176.393 182.807 209.226 1.00 0.00 0.243 C +ATOM 5179 O ILE A 559 175.954 182.358 208.168 1.00 0.00 -0.272 OA +ATOM 5180 CA ILE A 559 175.530 182.860 210.480 1.00 0.00 0.174 C +ATOM 5181 N ILE A 559 176.205 182.204 211.588 1.00 0.00 -0.343 N +ATOM 5182 CB ILE A 559 175.200 184.331 210.818 1.00 0.00 0.018 C +ATOM 5183 CG2 ILE A 559 174.726 185.086 209.571 1.00 0.00 0.010 C +ATOM 5184 CG1 ILE A 559 174.133 184.390 211.916 1.00 0.00 0.002 C +ATOM 5185 CD1 ILE A 559 173.876 185.786 212.462 1.00 0.00 0.004 C +ATOM 5186 H ILE A 559 176.392 182.727 212.245 1.00 0.00 0.164 HD +ATOM 5187 C ASN A 560 179.083 182.198 207.610 1.00 0.00 0.242 C +ATOM 5188 O ASN A 560 179.734 182.252 206.574 1.00 0.00 -0.273 OA +ATOM 5189 CA ASN A 560 178.472 183.476 208.191 1.00 0.00 0.180 C +ATOM 5190 N ASN A 560 177.630 183.261 209.354 1.00 0.00 -0.342 N +ATOM 5191 CB ASN A 560 179.572 184.475 208.544 1.00 0.00 0.134 C +ATOM 5192 CG ASN A 560 179.026 185.875 208.777 1.00 0.00 0.220 C +ATOM 5193 OD1 ASN A 560 179.221 186.467 209.838 1.00 0.00 -0.275 OA +ATOM 5194 ND2 ASN A 560 178.324 186.403 207.783 1.00 0.00 -0.368 N +ATOM 5195 HD22 ASN A 560 177.992 187.193 207.863 1.00 0.00 0.159 HD +ATOM 5196 HD21 ASN A 560 178.201 185.957 207.058 1.00 0.00 0.159 HD +ATOM 5197 H ASN A 560 178.006 183.453 210.104 1.00 0.00 0.164 HD +ATOM 5198 C THR A 561 178.114 178.832 207.443 1.00 0.00 0.245 C +ATOM 5199 O THR A 561 178.306 177.642 207.194 1.00 0.00 -0.273 OA +ATOM 5200 CA THR A 561 179.291 179.761 207.733 1.00 0.00 0.199 C +ATOM 5201 N THR A 561 178.858 181.057 208.262 1.00 0.00 -0.341 N +ATOM 5202 CB THR A 561 180.246 179.031 208.704 1.00 0.00 0.143 C +ATOM 5203 CG2 THR A 561 181.510 179.839 208.930 1.00 0.00 0.041 C +ATOM 5204 OG1 THR A 561 179.586 178.809 209.958 1.00 0.00 -0.389 OA +ATOM 5205 HG1 THR A 561 179.359 179.543 210.297 1.00 0.00 0.211 HD +ATOM 5206 H THR A 561 178.453 181.006 209.019 1.00 0.00 0.164 HD +ATOM 5207 C ALA A 562 175.487 178.157 205.833 1.00 0.00 0.243 C +ATOM 5208 O ALA A 562 175.778 178.921 204.914 1.00 0.00 -0.272 OA +ATOM 5209 CA ALA A 562 175.702 178.554 207.290 1.00 0.00 0.168 C +ATOM 5210 N ALA A 562 176.899 179.370 207.473 1.00 0.00 -0.344 N +ATOM 5211 CB ALA A 562 174.478 179.290 207.811 1.00 0.00 0.041 C +ATOM 5212 H ALA A 562 176.739 180.206 207.597 1.00 0.00 0.164 HD +ATOM 5213 C SER A 563 173.484 175.429 204.472 1.00 0.00 0.244 C +ATOM 5214 O SER A 563 173.270 174.903 205.564 1.00 0.00 -0.272 OA +ATOM 5215 CA SER A 563 174.596 176.456 204.321 1.00 0.00 0.197 C +ATOM 5216 N SER A 563 174.968 176.949 205.641 1.00 0.00 -0.342 N +ATOM 5217 CB SER A 563 175.799 175.840 203.611 1.00 0.00 0.191 C +ATOM 5218 OG SER A 563 176.276 174.706 204.313 1.00 0.00 -0.392 OA +ATOM 5219 HG SER A 563 176.937 174.377 203.913 1.00 0.00 0.210 HD +ATOM 5220 H SER A 563 174.819 176.386 206.273 1.00 0.00 0.164 HD +ATOM 5221 C ILE A 564 172.336 172.786 203.830 1.00 0.00 0.243 C +ATOM 5222 O ILE A 564 171.690 171.998 204.515 1.00 0.00 -0.272 OA +ATOM 5223 CA ILE A 564 171.735 174.127 203.412 1.00 0.00 0.174 C +ATOM 5224 N ILE A 564 172.774 175.147 203.386 1.00 0.00 -0.343 N +ATOM 5225 CB ILE A 564 171.026 173.988 202.037 1.00 0.00 0.018 C +ATOM 5226 CG2 ILE A 564 172.012 173.568 200.947 1.00 0.00 0.010 C +ATOM 5227 CG1 ILE A 564 169.856 173.000 202.117 1.00 0.00 0.002 C +ATOM 5228 CD1 ILE A 564 168.679 173.501 202.925 1.00 0.00 0.004 C +ATOM 5229 H ILE A 564 172.875 175.530 202.623 1.00 0.00 0.164 HD +ATOM 5230 C GLN A 565 174.596 171.218 205.257 1.00 0.00 0.242 C +ATOM 5231 O GLN A 565 174.385 170.187 205.890 1.00 0.00 -0.273 OA +ATOM 5232 CA GLN A 565 174.260 171.293 203.770 1.00 0.00 0.171 C +ATOM 5233 N GLN A 565 173.582 172.543 203.435 1.00 0.00 -0.343 N +ATOM 5234 CB GLN A 565 175.535 171.130 202.934 1.00 0.00 0.045 C +ATOM 5235 CG GLN A 565 176.330 169.861 203.230 1.00 0.00 0.102 C +ATOM 5236 CD GLN A 565 175.541 168.587 202.963 1.00 0.00 0.217 C +ATOM 5237 OE1 GLN A 565 175.626 168.008 201.881 1.00 0.00 -0.275 OA +ATOM 5238 NE2 GLN A 565 174.773 168.142 203.954 1.00 0.00 -0.368 N +ATOM 5239 HE22 GLN A 565 174.740 168.571 204.699 1.00 0.00 0.159 HD +ATOM 5240 HE21 GLN A 565 174.308 167.426 203.849 1.00 0.00 0.159 HD +ATOM 5241 H GLN A 565 174.059 173.086 202.969 1.00 0.00 0.164 HD +ATOM 5242 C SER A 566 174.263 172.303 208.136 1.00 0.00 0.244 C +ATOM 5243 O SER A 566 174.321 171.777 209.246 1.00 0.00 -0.272 OA +ATOM 5244 CA SER A 566 175.492 172.326 207.227 1.00 0.00 0.197 C +ATOM 5245 N SER A 566 175.119 172.305 205.814 1.00 0.00 -0.342 N +ATOM 5246 CB SER A 566 176.348 173.552 207.543 1.00 0.00 0.191 C +ATOM 5247 OG SER A 566 175.569 174.734 207.545 1.00 0.00 -0.392 OA +ATOM 5248 HG SER A 566 176.054 175.397 207.720 1.00 0.00 0.210 HD +ATOM 5249 H SER A 566 175.269 173.043 205.398 1.00 0.00 0.164 HD +ATOM 5250 C LEU A 567 171.467 171.366 208.561 1.00 0.00 0.243 C +ATOM 5251 O LEU A 567 171.140 170.913 209.656 1.00 0.00 -0.272 OA +ATOM 5252 CA LEU A 567 171.903 172.816 208.414 1.00 0.00 0.172 C +ATOM 5253 N LEU A 567 173.157 172.875 207.670 1.00 0.00 -0.345 N +ATOM 5254 CB LEU A 567 170.808 173.626 207.718 1.00 0.00 0.038 C +ATOM 5255 CG LEU A 567 169.459 173.679 208.447 1.00 0.00 -0.015 C +ATOM 5256 CD1 LEU A 567 169.542 174.589 209.657 1.00 0.00 0.007 C +ATOM 5257 CD2 LEU A 567 168.337 174.122 207.516 1.00 0.00 0.007 C +ATOM 5258 H LEU A 567 173.107 173.303 206.926 1.00 0.00 0.165 HD +ATOM 5259 C ILE A 568 172.149 168.431 208.223 1.00 0.00 0.243 C +ATOM 5260 O ILE A 568 171.798 167.590 209.046 1.00 0.00 -0.272 OA +ATOM 5261 CA ILE A 568 171.113 169.233 207.441 1.00 0.00 0.174 C +ATOM 5262 N ILE A 568 171.467 170.645 207.446 1.00 0.00 -0.343 N +ATOM 5263 CB ILE A 568 170.983 168.699 205.991 1.00 0.00 0.018 C +ATOM 5264 CG2 ILE A 568 171.399 167.228 205.881 1.00 0.00 0.010 C +ATOM 5265 CG1 ILE A 568 169.538 168.836 205.507 1.00 0.00 0.002 C +ATOM 5266 CD1 ILE A 568 168.994 170.248 205.550 1.00 0.00 0.004 C +ATOM 5267 H ILE A 568 171.671 170.956 206.670 1.00 0.00 0.164 HD +ATOM 5268 CB CYS A 569 175.858 168.450 208.074 1.00 0.00 0.116 C +ATOM 5269 SG CYS A 569 177.265 167.452 208.613 1.00 0.00 -0.092 SA +ATOM 5270 CA CYS A 569 174.508 167.965 208.604 1.00 0.00 0.183 C +ATOM 5271 C CYS A 569 174.487 168.075 210.127 1.00 0.00 0.244 C +ATOM 5272 N CYS A 569 173.423 168.711 207.974 1.00 0.00 -0.343 N +ATOM 5273 O CYS A 569 174.811 167.118 210.826 1.00 0.00 -0.272 OA +ATOM 5274 H CYS A 569 173.688 169.331 207.440 1.00 0.00 0.164 HD +ATOM 5275 C ASN A 570 172.899 168.891 212.811 1.00 0.00 0.242 C +ATOM 5276 O ASN A 570 172.991 168.572 213.994 1.00 0.00 -0.273 OA +ATOM 5277 CA ASN A 570 174.105 169.475 212.080 1.00 0.00 0.180 C +ATOM 5278 N ASN A 570 174.100 169.238 210.639 1.00 0.00 -0.342 N +ATOM 5279 CB ASN A 570 174.172 170.976 212.369 1.00 0.00 0.134 C +ATOM 5280 CG ASN A 570 175.572 171.542 212.225 1.00 0.00 0.220 C +ATOM 5281 OD1 ASN A 570 176.563 170.821 212.327 1.00 0.00 -0.275 OA +ATOM 5282 ND2 ASN A 570 175.658 172.848 211.998 1.00 0.00 -0.368 N +ATOM 5283 HD22 ASN A 570 176.428 173.220 211.909 1.00 0.00 0.159 HD +ATOM 5284 HD21 ASN A 570 174.943 173.323 211.941 1.00 0.00 0.159 HD +ATOM 5285 H ASN A 570 173.831 169.908 210.173 1.00 0.00 0.164 HD +ATOM 5286 C ASN A 571 169.851 167.132 212.250 1.00 0.00 0.242 C +ATOM 5287 O ASN A 571 168.791 166.743 212.741 1.00 0.00 -0.273 OA +ATOM 5288 CA ASN A 571 170.510 168.411 212.761 1.00 0.00 0.180 C +ATOM 5289 N ASN A 571 171.776 168.750 212.113 1.00 0.00 -0.342 N +ATOM 5290 CB ASN A 571 169.530 169.572 212.605 1.00 0.00 0.134 C +ATOM 5291 CG ASN A 571 170.048 170.853 213.226 1.00 0.00 0.220 C +ATOM 5292 OD1 ASN A 571 170.128 170.977 214.448 1.00 0.00 -0.275 OA +ATOM 5293 ND2 ASN A 571 170.404 171.815 212.386 1.00 0.00 -0.368 N +ATOM 5294 HD22 ASN A 571 170.705 172.562 212.689 1.00 0.00 0.159 HD +ATOM 5295 HD21 ASN A 571 170.335 171.693 211.538 1.00 0.00 0.159 HD +ATOM 5296 H ASN A 571 171.719 168.846 211.260 1.00 0.00 0.164 HD +ATOM 5297 C VAL A 572 170.921 164.088 210.974 1.00 0.00 0.243 C +ATOM 5298 O VAL A 572 172.116 164.195 210.704 1.00 0.00 -0.272 OA +ATOM 5299 CA VAL A 572 169.950 165.237 210.717 1.00 0.00 0.173 C +ATOM 5300 N VAL A 572 170.477 166.480 211.275 1.00 0.00 -0.343 N +ATOM 5301 CB VAL A 572 169.682 165.367 209.206 1.00 0.00 0.015 C +ATOM 5302 CG1 VAL A 572 169.123 164.068 208.642 1.00 0.00 0.010 C +ATOM 5303 CG2 VAL A 572 168.718 166.519 208.945 1.00 0.00 0.010 C +ATOM 5304 H VAL A 572 171.215 166.738 210.917 1.00 0.00 0.164 HD +ATOM 5305 C LYS A 573 171.875 161.240 210.630 1.00 0.00 0.242 C +ATOM 5306 O LYS A 573 171.251 161.059 209.585 1.00 0.00 -0.273 OA +ATOM 5307 CA LYS A 573 171.184 161.825 211.855 1.00 0.00 0.171 C +ATOM 5308 N LYS A 573 170.387 162.993 211.503 1.00 0.00 -0.344 N +ATOM 5309 CB LYS A 573 170.299 160.766 212.514 1.00 0.00 0.035 C +ATOM 5310 CG LYS A 573 171.060 159.650 213.201 1.00 0.00 0.008 C +ATOM 5311 CD LYS A 573 170.110 158.570 213.689 1.00 0.00 0.061 C +ATOM 5312 CE LYS A 573 170.824 157.534 214.536 1.00 0.00 0.258 C +ATOM 5313 NZ LYS A 573 169.926 156.401 214.883 1.00 0.00 -0.357 N +ATOM 5314 HZ1 LYS A 573 170.365 155.806 215.379 1.00 0.00 0.345 HD +ATOM 5315 HZ2 LYS A 573 169.224 156.699 215.341 1.00 0.00 0.345 HD +ATOM 5316 HZ3 LYS A 573 169.639 156.003 214.140 1.00 0.00 0.345 HD +ATOM 5317 H LYS A 573 169.548 162.901 211.671 1.00 0.00 0.164 HD +ATOM 5318 C GLY A 574 174.587 161.426 208.791 1.00 0.00 0.239 C +ATOM 5319 O GLY A 574 175.459 161.105 207.982 1.00 0.00 -0.273 OA +ATOM 5320 CA GLY A 574 173.945 160.378 209.682 1.00 0.00 0.216 C +ATOM 5321 N GLY A 574 173.167 160.952 210.765 1.00 0.00 -0.346 N +ATOM 5322 H GLY A 574 173.618 161.083 211.486 1.00 0.00 0.164 HD +ATOM 5323 CB CYS A 575 176.124 164.103 208.585 1.00 0.00 0.116 C +ATOM 5324 SG CYS A 575 176.821 165.615 207.858 1.00 0.00 -0.092 SA +ATOM 5325 CA CYS A 575 174.689 163.786 208.153 1.00 0.00 0.183 C +ATOM 5326 C CYS A 575 174.644 163.475 206.660 1.00 0.00 0.244 C +ATOM 5327 N CYS A 575 174.155 162.676 208.940 1.00 0.00 -0.343 N +ATOM 5328 O CYS A 575 175.682 163.426 206.002 1.00 0.00 -0.272 OA +ATOM 5329 H CYS A 575 173.543 162.910 209.498 1.00 0.00 0.164 HD +ATOM 5330 C PRO A 576 173.659 164.012 203.764 1.00 0.00 0.243 C +ATOM 5331 O PRO A 576 173.459 165.176 204.108 1.00 0.00 -0.271 OA +ATOM 5332 CA PRO A 576 173.323 162.870 204.713 1.00 0.00 0.175 C +ATOM 5333 N PRO A 576 173.437 163.262 206.120 1.00 0.00 -0.329 N +ATOM 5334 CB PRO A 576 171.854 162.466 204.585 1.00 0.00 0.037 C +ATOM 5335 CG PRO A 576 171.156 163.289 205.599 1.00 0.00 0.024 C +ATOM 5336 CD PRO A 576 172.118 163.448 206.748 1.00 0.00 0.121 C +ATOM 5337 C PHE A 577 173.081 165.289 201.141 1.00 0.00 0.243 C +ATOM 5338 O PHE A 577 172.094 164.577 200.968 1.00 0.00 -0.272 OA +ATOM 5339 CA PHE A 577 174.408 164.678 201.557 1.00 0.00 0.175 C +ATOM 5340 N PHE A 577 174.174 163.679 202.587 1.00 0.00 -0.343 N +ATOM 5341 CB PHE A 577 175.108 164.062 200.344 1.00 0.00 0.070 C +ATOM 5342 CG PHE A 577 175.086 164.939 199.121 1.00 0.00 -0.045 A +ATOM 5343 CD1 PHE A 577 174.041 164.863 198.212 1.00 0.00 0.004 A +ATOM 5344 CD2 PHE A 577 176.109 165.840 198.880 1.00 0.00 0.004 A +ATOM 5345 CE1 PHE A 577 174.016 165.669 197.093 1.00 0.00 0.000 A +ATOM 5346 CE2 PHE A 577 176.091 166.648 197.760 1.00 0.00 0.000 A +ATOM 5347 CZ PHE A 577 175.043 166.562 196.865 1.00 0.00 0.000 A +ATOM 5348 H PHE A 577 174.397 162.880 202.360 1.00 0.00 0.164 HD +ATOM 5349 C THR A 578 172.289 168.464 199.579 1.00 0.00 0.245 C +ATOM 5350 O THR A 578 173.392 168.996 199.701 1.00 0.00 -0.273 OA +ATOM 5351 CA THR A 578 171.887 167.269 200.426 1.00 0.00 0.199 C +ATOM 5352 N THR A 578 173.053 166.609 200.991 1.00 0.00 -0.341 N +ATOM 5353 CB THR A 578 170.894 167.727 201.519 1.00 0.00 0.143 C +ATOM 5354 CG2 THR A 578 171.339 169.035 202.185 1.00 0.00 0.041 C +ATOM 5355 OG1 THR A 578 169.596 167.898 200.938 1.00 0.00 -0.389 OA +ATOM 5356 HG1 THR A 578 169.331 167.172 200.609 1.00 0.00 0.211 HD +ATOM 5357 H THR A 578 173.694 167.141 201.207 1.00 0.00 0.164 HD +ATOM 5358 C SER A 579 170.216 170.341 197.224 1.00 0.00 0.244 C +ATOM 5359 O SER A 579 169.234 169.634 197.450 1.00 0.00 -0.272 OA +ATOM 5360 CA SER A 579 171.576 169.957 197.786 1.00 0.00 0.197 C +ATOM 5361 N SER A 579 171.365 168.871 198.721 1.00 0.00 -0.342 N +ATOM 5362 CB SER A 579 172.543 169.538 196.676 1.00 0.00 0.191 C +ATOM 5363 OG SER A 579 172.271 170.221 195.466 1.00 0.00 -0.392 OA +ATOM 5364 HG SER A 579 172.812 169.977 194.871 1.00 0.00 0.210 HD +ATOM 5365 H SER A 579 170.582 168.519 198.663 1.00 0.00 0.164 HD +ATOM 5366 C PHE A 580 168.735 171.383 194.491 1.00 0.00 0.243 C +ATOM 5367 O PHE A 580 167.727 171.650 193.841 1.00 0.00 -0.272 OA +ATOM 5368 CA PHE A 580 168.887 171.894 195.916 1.00 0.00 0.175 C +ATOM 5369 N PHE A 580 170.147 171.456 196.506 1.00 0.00 -0.343 N +ATOM 5370 CB PHE A 580 168.780 173.421 195.945 1.00 0.00 0.070 C +ATOM 5371 CG PHE A 580 168.474 173.985 197.305 1.00 0.00 -0.045 A +ATOM 5372 CD1 PHE A 580 167.481 173.430 198.095 1.00 0.00 0.004 A +ATOM 5373 CD2 PHE A 580 169.181 175.067 197.793 1.00 0.00 0.004 A +ATOM 5374 CE1 PHE A 580 167.200 173.948 199.342 1.00 0.00 0.000 A +ATOM 5375 CE2 PHE A 580 168.903 175.587 199.040 1.00 0.00 0.000 A +ATOM 5376 CZ PHE A 580 167.913 175.027 199.816 1.00 0.00 0.000 A +ATOM 5377 H PHE A 580 170.813 171.975 196.346 1.00 0.00 0.164 HD +ATOM 5378 C SER A 581 169.843 168.489 192.878 1.00 0.00 0.244 C +ATOM 5379 O SER A 581 170.466 168.042 193.842 1.00 0.00 -0.272 OA +ATOM 5380 CA SER A 581 169.645 169.989 192.715 1.00 0.00 0.197 C +ATOM 5381 N SER A 581 169.735 170.650 194.012 1.00 0.00 -0.342 N +ATOM 5382 CB SER A 581 170.681 170.555 191.742 1.00 0.00 0.191 C +ATOM 5383 OG SER A 581 171.996 170.228 192.147 1.00 0.00 -0.392 OA +ATOM 5384 HG SER A 581 172.552 170.546 191.603 1.00 0.00 0.210 HD +ATOM 5385 H SER A 581 170.480 170.520 194.421 1.00 0.00 0.164 HD +ATOM 5386 C VAL A 582 170.925 165.910 191.594 1.00 0.00 0.243 C +ATOM 5387 O VAL A 582 171.515 166.578 190.745 1.00 0.00 -0.272 OA +ATOM 5388 CA VAL A 582 169.488 166.266 191.985 1.00 0.00 0.173 C +ATOM 5389 N VAL A 582 169.311 167.712 191.942 1.00 0.00 -0.343 N +ATOM 5390 CB VAL A 582 168.499 165.535 191.054 1.00 0.00 0.015 C +ATOM 5391 CG1 VAL A 582 167.065 165.848 191.452 1.00 0.00 0.010 C +ATOM 5392 CG2 VAL A 582 168.740 165.906 189.593 1.00 0.00 0.010 C +ATOM 5393 H VAL A 582 168.846 167.995 191.276 1.00 0.00 0.164 HD +ATOM 5394 C PRO A 583 173.141 164.249 190.412 1.00 0.00 0.243 C +ATOM 5395 O PRO A 583 172.248 163.840 189.673 1.00 0.00 -0.271 OA +ATOM 5396 CA PRO A 583 172.859 164.401 191.906 1.00 0.00 0.175 C +ATOM 5397 N PRO A 583 171.497 164.860 192.214 1.00 0.00 -0.329 N +ATOM 5398 CB PRO A 583 172.925 163.042 192.600 1.00 0.00 0.037 C +ATOM 5399 CG PRO A 583 172.014 163.184 193.761 1.00 0.00 0.024 C +ATOM 5400 CD PRO A 583 170.898 164.080 193.313 1.00 0.00 0.121 C +ATOM 5401 C ASN B 34 177.890 192.796 235.842 1.00 0.00 0.242 C +ATOM 5402 O ASN B 34 177.773 193.953 236.237 1.00 0.00 -0.273 OA +ATOM 5403 CA ASN B 34 176.805 191.763 236.154 1.00 0.00 0.180 C +ATOM 5404 N ASN B 34 176.784 191.459 237.580 1.00 0.00 -0.342 N +ATOM 5405 CB ASN B 34 175.436 192.273 235.705 1.00 0.00 0.134 C +ATOM 5406 CG ASN B 34 175.307 192.366 234.190 1.00 0.00 0.220 C +ATOM 5407 OD1 ASN B 34 176.295 192.504 233.470 1.00 0.00 -0.275 OA +ATOM 5408 ND2 ASN B 34 174.075 192.293 233.703 1.00 0.00 -0.368 N +ATOM 5409 HD22 ASN B 34 173.945 192.341 232.854 1.00 0.00 0.159 HD +ATOM 5410 HD21 ASN B 34 173.407 192.198 234.236 1.00 0.00 0.159 HD +ATOM 5411 H ASN B 34 177.070 191.655 238.550 1.00 0.00 0.164 HD +ATOM 5412 C PRO B 35 179.822 194.485 234.056 1.00 0.00 0.243 C +ATOM 5413 O PRO B 35 180.607 195.432 234.046 1.00 0.00 -0.271 OA +ATOM 5414 CA PRO B 35 180.104 193.278 234.948 1.00 0.00 0.175 C +ATOM 5415 N PRO B 35 178.948 192.389 235.118 1.00 0.00 -0.329 N +ATOM 5416 CB PRO B 35 181.151 192.362 234.309 1.00 0.00 0.037 C +ATOM 5417 CG PRO B 35 180.362 191.342 233.583 1.00 0.00 0.024 C +ATOM 5418 CD PRO B 35 179.099 191.135 234.358 1.00 0.00 0.121 C +ATOM 5419 CB CYS B 36 177.478 195.062 231.300 1.00 0.00 0.116 C +ATOM 5420 SG CYS B 36 178.408 194.194 230.015 1.00 0.00 -0.092 SA +ATOM 5421 CA CYS B 36 178.345 195.561 232.454 1.00 0.00 0.183 C +ATOM 5422 C CYS B 36 177.615 196.664 233.219 1.00 0.00 0.244 C +ATOM 5423 N CYS B 36 178.717 194.450 233.321 1.00 0.00 -0.343 N +ATOM 5424 O CYS B 36 177.309 197.715 232.658 1.00 0.00 -0.272 OA +ATOM 5425 H CYS B 36 178.163 193.792 233.307 1.00 0.00 0.164 HD +ATOM 5426 CB CYS B 37 176.445 196.839 236.750 1.00 0.00 0.116 C +ATOM 5427 SG CYS B 37 174.953 195.840 236.963 1.00 0.00 -0.092 SA +ATOM 5428 CA CYS B 37 176.639 197.394 235.336 1.00 0.00 0.183 C +ATOM 5429 C CYS B 37 177.354 198.741 235.416 1.00 0.00 0.244 C +ATOM 5430 N CYS B 37 177.350 196.427 234.501 1.00 0.00 -0.343 N +ATOM 5431 O CYS B 37 176.718 199.770 235.637 1.00 0.00 -0.272 OA +ATOM 5432 H CYS B 37 177.574 195.707 234.915 1.00 0.00 0.164 HD +ATOM 5433 C SER B 38 179.513 200.722 234.021 1.00 0.00 0.244 C +ATOM 5434 O SER B 38 180.063 201.820 233.956 1.00 0.00 -0.272 OA +ATOM 5435 CA SER B 38 179.462 199.956 235.343 1.00 0.00 0.197 C +ATOM 5436 N SER B 38 178.671 198.733 235.238 1.00 0.00 -0.342 N +ATOM 5437 CB SER B 38 180.884 199.630 235.804 1.00 0.00 0.191 C +ATOM 5438 OG SER B 38 181.587 198.897 234.818 1.00 0.00 -0.392 OA +ATOM 5439 HG SER B 38 182.364 198.727 235.086 1.00 0.00 0.210 HD +ATOM 5440 H SER B 38 179.133 198.031 235.054 1.00 0.00 0.164 HD +ATOM 5441 C HIS B 39 180.377 200.997 231.180 1.00 0.00 0.242 C +ATOM 5442 O HIS B 39 180.744 202.131 230.882 1.00 0.00 -0.272 OA +ATOM 5443 CA HIS B 39 178.944 200.746 231.647 1.00 0.00 0.177 C +ATOM 5444 N HIS B 39 178.931 200.142 232.976 1.00 0.00 -0.343 N +ATOM 5445 CB HIS B 39 178.144 202.050 231.648 1.00 0.00 0.093 C +ATOM 5446 CG HIS B 39 176.823 201.943 232.344 1.00 0.00 0.061 A +ATOM 5447 ND1 HIS B 39 175.809 201.126 231.894 1.00 0.00 -0.242 NA +ATOM 5448 CD2 HIS B 39 176.355 202.543 233.463 1.00 0.00 0.107 A +ATOM 5449 CE1 HIS B 39 174.771 201.228 232.705 1.00 0.00 0.196 A +ATOM 5450 NE2 HIS B 39 175.077 202.083 233.665 1.00 0.00 -0.350 N +ATOM 5451 HE2 HIS B 39 174.559 202.314 234.311 1.00 0.00 0.167 HD +ATOM 5452 H HIS B 39 178.518 199.389 233.011 1.00 0.00 0.164 HD +ATOM 5453 C PRO B 40 182.877 200.596 229.381 1.00 0.00 0.243 C +ATOM 5454 O PRO B 40 183.813 201.365 229.166 1.00 0.00 -0.271 OA +ATOM 5455 CA PRO B 40 182.614 200.079 230.794 1.00 0.00 0.175 C +ATOM 5456 N PRO B 40 181.188 199.930 231.101 1.00 0.00 -0.329 N +ATOM 5457 CB PRO B 40 183.163 198.651 230.946 1.00 0.00 0.037 C +ATOM 5458 CG PRO B 40 182.045 197.827 231.502 1.00 0.00 0.024 C +ATOM 5459 CD PRO B 40 180.787 198.515 231.146 1.00 0.00 0.121 C +ATOM 5460 CB CYS B 41 181.449 199.524 226.154 1.00 0.00 0.116 C +ATOM 5461 SG CYS B 41 181.697 197.772 226.520 1.00 0.00 -0.092 SA +ATOM 5462 CA CYS B 41 182.288 200.459 227.025 1.00 0.00 0.183 C +ATOM 5463 C CYS B 41 181.984 201.911 226.671 1.00 0.00 0.244 C +ATOM 5464 N CYS B 41 182.051 200.172 228.433 1.00 0.00 -0.343 N +ATOM 5465 O CYS B 41 180.876 202.393 226.892 1.00 0.00 -0.272 OA +ATOM 5466 H CYS B 41 181.339 199.712 228.580 1.00 0.00 0.164 HD +ATOM 5467 C GLN B 42 182.503 204.110 224.231 1.00 0.00 0.242 C +ATOM 5468 O GLN B 42 182.606 203.145 223.476 1.00 0.00 -0.273 OA +ATOM 5469 CA GLN B 42 182.853 203.987 225.709 1.00 0.00 0.171 C +ATOM 5470 N GLN B 42 182.982 202.592 226.115 1.00 0.00 -0.343 N +ATOM 5471 CB GLN B 42 184.155 204.748 225.985 1.00 0.00 0.045 C +ATOM 5472 CG GLN B 42 184.644 204.657 227.415 1.00 0.00 0.102 C +ATOM 5473 CD GLN B 42 183.608 205.126 228.415 1.00 0.00 0.217 C +ATOM 5474 OE1 GLN B 42 183.145 206.265 228.360 1.00 0.00 -0.275 OA +ATOM 5475 NE2 GLN B 42 183.234 204.244 229.334 1.00 0.00 -0.368 N +ATOM 5476 HE22 GLN B 42 183.578 203.456 229.338 1.00 0.00 0.159 HD +ATOM 5477 HE21 GLN B 42 182.648 204.461 229.924 1.00 0.00 0.159 HD +ATOM 5478 H GLN B 42 183.760 202.260 225.959 1.00 0.00 0.164 HD +ATOM 5479 C ASN B 43 181.044 204.694 221.643 1.00 0.00 0.242 C +ATOM 5480 O ASN B 43 181.380 204.317 220.525 1.00 0.00 -0.273 OA +ATOM 5481 CA ASN B 43 181.924 205.660 222.427 1.00 0.00 0.180 C +ATOM 5482 N ASN B 43 182.086 205.308 223.835 1.00 0.00 -0.342 N +ATOM 5483 CB ASN B 43 183.299 205.746 221.764 1.00 0.00 0.134 C +ATOM 5484 CG ASN B 43 184.237 206.682 222.495 1.00 0.00 0.220 C +ATOM 5485 OD1 ASN B 43 183.868 207.801 222.847 1.00 0.00 -0.275 OA +ATOM 5486 ND2 ASN B 43 185.456 206.221 222.742 1.00 0.00 -0.368 N +ATOM 5487 HD22 ASN B 43 186.026 206.715 223.155 1.00 0.00 0.159 HD +ATOM 5488 HD21 ASN B 43 185.676 205.430 222.489 1.00 0.00 0.159 HD +ATOM 5489 H ASN B 43 181.886 205.948 224.374 1.00 0.00 0.164 HD +ATOM 5490 C ARG B 44 179.297 201.979 221.554 1.00 0.00 0.242 C +ATOM 5491 O ARG B 44 178.596 201.181 220.937 1.00 0.00 -0.273 OA +ATOM 5492 CA ARG B 44 178.908 203.451 221.613 1.00 0.00 0.171 C +ATOM 5493 N ARG B 44 179.926 204.297 222.248 1.00 0.00 -0.344 N +ATOM 5494 CB ARG B 44 178.585 203.938 220.192 1.00 0.00 0.038 C +ATOM 5495 CG ARG B 44 178.219 205.410 220.095 1.00 0.00 0.040 C +ATOM 5496 CD ARG B 44 176.986 205.731 220.910 1.00 0.00 0.197 C +ATOM 5497 NE ARG B 44 175.895 204.803 220.631 1.00 0.00 -0.278 N +ATOM 5498 HE ARG B 44 175.754 204.169 221.195 1.00 0.00 0.260 HD +ATOM 5499 CZ ARG B 44 175.105 204.870 219.565 1.00 0.00 0.339 C +ATOM 5500 NH1 ARG B 44 175.277 205.822 218.657 1.00 0.00 -0.290 N +ATOM 5501 NH2 ARG B 44 174.140 203.975 219.403 1.00 0.00 -0.290 N +ATOM 5502 HH12 ARG B 44 175.902 206.404 218.758 1.00 0.00 0.256 HD +ATOM 5503 HH11 ARG B 44 174.762 205.859 217.970 1.00 0.00 0.256 HD +ATOM 5504 HH22 ARG B 44 174.026 203.355 219.989 1.00 0.00 0.256 HD +ATOM 5505 HH21 ARG B 44 173.627 204.015 218.714 1.00 0.00 0.256 HD +ATOM 5506 H ARG B 44 179.726 204.512 223.057 1.00 0.00 0.164 HD +ATOM 5507 C GLY B 45 179.717 199.410 222.958 1.00 0.00 0.239 C +ATOM 5508 O GLY B 45 179.135 199.873 223.938 1.00 0.00 -0.273 OA +ATOM 5509 CA GLY B 45 180.791 200.218 222.257 1.00 0.00 0.216 C +ATOM 5510 N GLY B 45 180.403 201.614 222.193 1.00 0.00 -0.346 N +ATOM 5511 H GLY B 45 180.940 202.154 222.594 1.00 0.00 0.164 HD +ATOM 5512 C VAL B 46 178.985 196.415 224.055 1.00 0.00 0.243 C +ATOM 5513 O VAL B 46 179.891 195.644 223.749 1.00 0.00 -0.272 OA +ATOM 5514 CA VAL B 46 178.394 197.366 223.025 1.00 0.00 0.173 C +ATOM 5515 N VAL B 46 179.444 198.209 222.458 1.00 0.00 -0.343 N +ATOM 5516 CB VAL B 46 177.662 196.553 221.941 1.00 0.00 0.015 C +ATOM 5517 CG1 VAL B 46 176.516 195.761 222.554 1.00 0.00 0.010 C +ATOM 5518 CG2 VAL B 46 177.142 197.472 220.846 1.00 0.00 0.010 C +ATOM 5519 H VAL B 46 179.853 197.858 221.788 1.00 0.00 0.164 HD +ATOM 5520 CB CYS B 47 178.755 196.307 227.715 1.00 0.00 0.116 C +ATOM 5521 SG CYS B 47 179.652 195.506 229.079 1.00 0.00 -0.092 SA +ATOM 5522 CA CYS B 47 178.950 195.630 226.359 1.00 0.00 0.183 C +ATOM 5523 C CYS B 47 178.242 194.285 226.346 1.00 0.00 0.244 C +ATOM 5524 N CYS B 47 178.464 196.476 225.276 1.00 0.00 -0.343 N +ATOM 5525 O CYS B 47 177.038 194.202 226.113 1.00 0.00 -0.272 OA +ATOM 5526 H CYS B 47 177.823 197.003 225.505 1.00 0.00 0.164 HD +ATOM 5527 C MET B 48 179.192 191.116 227.715 1.00 0.00 0.242 C +ATOM 5528 O MET B 48 180.412 191.179 227.852 1.00 0.00 -0.272 OA +ATOM 5529 CA MET B 48 178.505 191.877 226.597 1.00 0.00 0.172 C +ATOM 5530 N MET B 48 179.012 193.236 226.597 1.00 0.00 -0.344 N +ATOM 5531 CB MET B 48 178.766 191.208 225.246 1.00 0.00 0.046 C +ATOM 5532 CG MET B 48 178.194 189.808 225.111 1.00 0.00 0.072 C +ATOM 5533 SD MET B 48 178.647 189.024 223.554 1.00 0.00 -0.165 SA +ATOM 5534 CE MET B 48 180.423 188.880 223.737 1.00 0.00 0.085 C +ATOM 5535 H MET B 48 179.852 193.290 226.775 1.00 0.00 0.164 HD +ATOM 5536 C SER B 49 179.630 188.367 228.976 1.00 0.00 0.244 C +ATOM 5537 O SER B 49 179.113 187.803 228.013 1.00 0.00 -0.272 OA +ATOM 5538 CA SER B 49 178.989 189.605 229.587 1.00 0.00 0.197 C +ATOM 5539 N SER B 49 178.413 190.412 228.525 1.00 0.00 -0.342 N +ATOM 5540 CB SER B 49 177.931 189.210 230.619 1.00 0.00 0.191 C +ATOM 5541 OG SER B 49 176.969 188.334 230.058 1.00 0.00 -0.392 OA +ATOM 5542 HG SER B 49 177.344 187.634 229.783 1.00 0.00 0.210 HD +ATOM 5543 H SER B 49 177.554 190.384 228.481 1.00 0.00 0.164 HD +ATOM 5544 C VAL B 50 181.789 185.961 230.366 1.00 0.00 0.243 C +ATOM 5545 O VAL B 50 182.738 186.282 231.075 1.00 0.00 -0.272 OA +ATOM 5546 CA VAL B 50 181.452 186.750 229.112 1.00 0.00 0.173 C +ATOM 5547 N VAL B 50 180.770 187.968 229.528 1.00 0.00 -0.343 N +ATOM 5548 CB VAL B 50 182.727 187.048 228.304 1.00 0.00 0.015 C +ATOM 5549 CG1 VAL B 50 183.397 185.754 227.871 1.00 0.00 0.010 C +ATOM 5550 CG2 VAL B 50 182.396 187.903 227.091 1.00 0.00 0.010 C +ATOM 5551 H VAL B 50 181.175 188.393 230.156 1.00 0.00 0.164 HD +ATOM 5552 C GLY B 51 180.486 185.148 232.982 1.00 0.00 0.239 C +ATOM 5553 O GLY B 51 179.802 186.123 232.670 1.00 0.00 -0.273 OA +ATOM 5554 CA GLY B 51 181.080 184.252 231.915 1.00 0.00 0.216 C +ATOM 5555 N GLY B 51 181.000 184.932 230.640 1.00 0.00 -0.346 N +ATOM 5556 H GLY B 51 180.411 184.610 230.103 1.00 0.00 0.164 HD +ATOM 5557 C PHE B 52 180.911 186.781 235.802 1.00 0.00 0.243 C +ATOM 5558 O PHE B 52 180.328 187.698 236.377 1.00 0.00 -0.272 OA +ATOM 5559 CA PHE B 52 180.137 185.543 235.353 1.00 0.00 0.175 C +ATOM 5560 N PHE B 52 180.760 184.834 234.241 1.00 0.00 -0.343 N +ATOM 5561 CB PHE B 52 179.966 184.595 236.539 1.00 0.00 0.070 C +ATOM 5562 CG PHE B 52 178.979 183.491 236.292 1.00 0.00 -0.045 A +ATOM 5563 CD1 PHE B 52 177.635 183.670 236.574 1.00 0.00 0.004 A +ATOM 5564 CD2 PHE B 52 179.393 182.277 235.772 1.00 0.00 0.004 A +ATOM 5565 CE1 PHE B 52 176.725 182.658 236.347 1.00 0.00 0.000 A +ATOM 5566 CE2 PHE B 52 178.485 181.262 235.543 1.00 0.00 0.000 A +ATOM 5567 CZ PHE B 52 177.150 181.454 235.831 1.00 0.00 0.000 A +ATOM 5568 H PHE B 52 181.305 184.213 234.481 1.00 0.00 0.164 HD +ATOM 5569 C ASP B 53 183.768 188.733 235.049 1.00 0.00 0.242 C +ATOM 5570 O ASP B 53 184.533 189.628 235.406 1.00 0.00 -0.273 OA +ATOM 5571 CA ASP B 53 183.086 187.845 236.092 1.00 0.00 0.176 C +ATOM 5572 N ASP B 53 182.213 186.813 235.530 1.00 0.00 -0.343 N +ATOM 5573 CB ASP B 53 184.155 187.187 236.966 1.00 0.00 0.087 C +ATOM 5574 CG ASP B 53 185.068 186.264 236.180 1.00 0.00 0.044 C +ATOM 5575 OD1 ASP B 53 184.728 185.929 235.024 1.00 0.00 -0.548 OA +ATOM 5576 OD2 ASP B 53 186.123 185.870 236.720 1.00 0.00 -0.549 OA +ATOM 5577 H ASP B 53 182.618 186.248 235.023 1.00 0.00 0.164 HD +ATOM 5578 C GLN B 54 183.126 189.849 231.719 1.00 0.00 0.242 C +ATOM 5579 O GLN B 54 181.978 189.416 231.646 1.00 0.00 -0.273 OA +ATOM 5580 CA GLN B 54 184.129 189.260 232.700 1.00 0.00 0.171 C +ATOM 5581 N GLN B 54 183.495 188.494 233.770 1.00 0.00 -0.343 N +ATOM 5582 CB GLN B 54 185.122 188.389 231.931 1.00 0.00 0.045 C +ATOM 5583 CG GLN B 54 186.378 188.050 232.698 1.00 0.00 0.102 C +ATOM 5584 CD GLN B 54 187.514 187.665 231.778 1.00 0.00 0.217 C +ATOM 5585 OE1 GLN B 54 187.905 186.500 231.705 1.00 0.00 -0.275 OA +ATOM 5586 NE2 GLN B 54 188.049 188.647 231.061 1.00 0.00 -0.368 N +ATOM 5587 HE22 GLN B 54 187.746 189.449 231.136 1.00 0.00 0.159 HD +ATOM 5588 HE21 GLN B 54 188.698 188.482 230.522 1.00 0.00 0.159 HD +ATOM 5589 H GLN B 54 182.945 187.892 233.494 1.00 0.00 0.164 HD +ATOM 5590 C TYR B 55 183.631 191.622 228.660 1.00 0.00 0.243 C +ATOM 5591 O TYR B 55 184.857 191.552 228.713 1.00 0.00 -0.272 OA +ATOM 5592 CA TYR B 55 182.789 191.455 229.915 1.00 0.00 0.175 C +ATOM 5593 N TYR B 55 183.583 190.846 230.969 1.00 0.00 -0.343 N +ATOM 5594 CB TYR B 55 182.231 192.813 230.358 1.00 0.00 0.070 C +ATOM 5595 CG TYR B 55 183.278 193.888 230.547 1.00 0.00 -0.045 A +ATOM 5596 CD1 TYR B 55 183.858 194.111 231.787 1.00 0.00 0.007 A +ATOM 5597 CD2 TYR B 55 183.679 194.686 229.485 1.00 0.00 0.007 A +ATOM 5598 CE1 TYR B 55 184.813 195.094 231.964 1.00 0.00 0.046 A +ATOM 5599 CE2 TYR B 55 184.634 195.669 229.653 1.00 0.00 0.046 A +ATOM 5600 CZ TYR B 55 185.197 195.869 230.895 1.00 0.00 0.115 A +ATOM 5601 OH TYR B 55 186.145 196.846 231.070 1.00 0.00 -0.507 OA +ATOM 5602 HH TYR B 55 186.286 197.242 230.342 1.00 0.00 0.294 HD +ATOM 5603 H TYR B 55 184.365 191.192 231.055 1.00 0.00 0.164 HD +ATOM 5604 C LYS B 56 182.964 193.304 225.609 1.00 0.00 0.242 C +ATOM 5605 O LYS B 56 181.737 193.393 225.554 1.00 0.00 -0.273 OA +ATOM 5606 CA LYS B 56 183.621 192.102 226.268 1.00 0.00 0.171 C +ATOM 5607 N LYS B 56 182.959 191.832 227.535 1.00 0.00 -0.344 N +ATOM 5608 CB LYS B 56 183.556 190.880 225.348 1.00 0.00 0.035 C +ATOM 5609 CG LYS B 56 184.196 191.082 223.981 1.00 0.00 0.008 C +ATOM 5610 CD LYS B 56 185.672 191.425 224.097 1.00 0.00 0.061 C +ATOM 5611 CE LYS B 56 186.371 191.340 222.750 1.00 0.00 0.258 C +ATOM 5612 NZ LYS B 56 185.751 192.238 221.740 1.00 0.00 -0.357 N +ATOM 5613 HZ1 LYS B 56 186.182 192.165 220.964 1.00 0.00 0.345 HD +ATOM 5614 HZ2 LYS B 56 184.898 192.016 221.619 1.00 0.00 0.345 HD +ATOM 5615 HZ3 LYS B 56 185.794 193.082 222.017 1.00 0.00 0.345 HD +ATOM 5616 H LYS B 56 182.100 191.824 227.480 1.00 0.00 0.164 HD +ATOM 5617 CB CYS B 57 184.032 196.668 224.906 1.00 0.00 0.116 C +ATOM 5618 SG CYS B 57 183.645 197.199 226.592 1.00 0.00 -0.092 SA +ATOM 5619 CA CYS B 57 183.281 195.419 224.449 1.00 0.00 0.183 C +ATOM 5620 C CYS B 57 183.402 195.268 222.940 1.00 0.00 0.244 C +ATOM 5621 N CYS B 57 183.783 194.232 225.125 1.00 0.00 -0.343 N +ATOM 5622 O CYS B 57 184.482 194.997 222.412 1.00 0.00 -0.272 OA +ATOM 5623 H CYS B 57 184.641 194.195 225.176 1.00 0.00 0.164 HD +ATOM 5624 C ASP B 58 182.478 196.810 220.274 1.00 0.00 0.242 C +ATOM 5625 O ASP B 58 181.649 197.696 220.453 1.00 0.00 -0.273 OA +ATOM 5626 CA ASP B 58 182.239 195.405 220.806 1.00 0.00 0.176 C +ATOM 5627 N ASP B 58 182.278 195.438 222.257 1.00 0.00 -0.343 N +ATOM 5628 CB ASP B 58 180.898 194.861 220.322 1.00 0.00 0.087 C +ATOM 5629 CG ASP B 58 180.920 194.476 218.866 1.00 0.00 0.044 C +ATOM 5630 OD1 ASP B 58 181.863 194.881 218.154 1.00 0.00 -0.548 OA +ATOM 5631 OD2 ASP B 58 179.991 193.769 218.432 1.00 0.00 -0.549 OA +ATOM 5632 H ASP B 58 181.511 195.576 222.620 1.00 0.00 0.164 HD +ATOM 5633 CB CYS B 59 185.546 198.506 219.417 1.00 0.00 0.116 C +ATOM 5634 SG CYS B 59 186.037 198.435 221.156 1.00 0.00 -0.092 SA +ATOM 5635 CA CYS B 59 184.043 198.328 219.179 1.00 0.00 0.183 C +ATOM 5636 C CYS B 59 183.721 198.565 217.708 1.00 0.00 0.244 C +ATOM 5637 N CYS B 59 183.621 197.007 219.626 1.00 0.00 -0.343 N +ATOM 5638 O CYS B 59 184.115 199.583 217.144 1.00 0.00 -0.272 OA +ATOM 5639 H CYS B 59 184.178 196.381 219.431 1.00 0.00 0.164 HD +ATOM 5640 C THR B 60 182.123 199.033 215.238 1.00 0.00 0.245 C +ATOM 5641 O THR B 60 181.108 199.501 215.749 1.00 0.00 -0.273 OA +ATOM 5642 CA THR B 60 182.673 197.676 215.679 1.00 0.00 0.199 C +ATOM 5643 N THR B 60 183.005 197.624 217.102 1.00 0.00 -0.341 N +ATOM 5644 CB THR B 60 181.636 196.588 215.320 1.00 0.00 0.143 C +ATOM 5645 CG2 THR B 60 181.334 196.585 213.824 1.00 0.00 0.041 C +ATOM 5646 OG1 THR B 60 182.138 195.301 215.699 1.00 0.00 -0.389 OA +ATOM 5647 HG1 THR B 60 182.282 195.281 216.526 1.00 0.00 0.211 HD +ATOM 5648 H THR B 60 182.693 196.929 217.501 1.00 0.00 0.164 HD +ATOM 5649 C ARG B 61 182.165 202.039 214.695 1.00 0.00 0.242 C +ATOM 5650 O ARG B 61 181.371 202.944 214.446 1.00 0.00 -0.273 OA +ATOM 5651 CA ARG B 61 182.403 200.916 213.679 1.00 0.00 0.171 C +ATOM 5652 N ARG B 61 182.815 199.648 214.284 1.00 0.00 -0.344 N +ATOM 5653 CB ARG B 61 181.140 200.703 212.836 1.00 0.00 0.038 C +ATOM 5654 CG ARG B 61 181.394 199.963 211.542 1.00 0.00 0.040 C +ATOM 5655 CD ARG B 61 180.134 199.840 210.709 1.00 0.00 0.197 C +ATOM 5656 NE ARG B 61 179.152 198.955 211.328 1.00 0.00 -0.278 N +ATOM 5657 HE ARG B 61 178.500 199.317 211.757 1.00 0.00 0.260 HD +ATOM 5658 CZ ARG B 61 179.197 197.628 211.272 1.00 0.00 0.339 C +ATOM 5659 NH1 ARG B 61 178.257 196.907 211.867 1.00 0.00 -0.290 N +ATOM 5660 NH2 ARG B 61 180.184 197.017 210.630 1.00 0.00 -0.290 N +ATOM 5661 HH12 ARG B 61 177.616 197.298 212.286 1.00 0.00 0.256 HD +ATOM 5662 HH11 ARG B 61 178.288 196.049 211.833 1.00 0.00 0.256 HD +ATOM 5663 HH22 ARG B 61 180.796 197.480 210.243 1.00 0.00 0.256 HD +ATOM 5664 HH21 ARG B 61 180.209 196.158 210.599 1.00 0.00 0.256 HD +ATOM 5665 H ARG B 61 183.551 199.342 213.959 1.00 0.00 0.164 HD +ATOM 5666 C THR B 62 183.818 204.166 216.505 1.00 0.00 0.245 C +ATOM 5667 O THR B 62 183.673 205.303 216.955 1.00 0.00 -0.273 OA +ATOM 5668 CA THR B 62 182.795 203.075 216.806 1.00 0.00 0.199 C +ATOM 5669 N THR B 62 182.861 201.992 215.827 1.00 0.00 -0.341 N +ATOM 5670 CB THR B 62 183.040 202.571 218.240 1.00 0.00 0.143 C +ATOM 5671 CG2 THR B 62 181.972 201.565 218.649 1.00 0.00 0.041 C +ATOM 5672 OG1 THR B 62 184.337 201.965 218.327 1.00 0.00 -0.389 OA +ATOM 5673 HG1 THR B 62 184.387 201.316 217.796 1.00 0.00 0.211 HD +ATOM 5674 H THR B 62 183.379 201.344 216.053 1.00 0.00 0.164 HD +ATOM 5675 C GLY B 63 187.018 204.573 216.581 1.00 0.00 0.239 C +ATOM 5676 O GLY B 63 188.001 205.314 216.600 1.00 0.00 -0.273 OA +ATOM 5677 CA GLY B 63 185.964 204.712 215.499 1.00 0.00 0.216 C +ATOM 5678 N GLY B 63 184.847 203.816 215.740 1.00 0.00 -0.346 N +ATOM 5679 H GLY B 63 184.920 203.055 215.346 1.00 0.00 0.164 HD +ATOM 5680 C PHE B 64 188.070 201.883 218.681 1.00 0.00 0.243 C +ATOM 5681 O PHE B 64 187.482 201.052 217.990 1.00 0.00 -0.272 OA +ATOM 5682 CA PHE B 64 187.729 203.366 218.584 1.00 0.00 0.175 C +ATOM 5683 N PHE B 64 186.809 203.618 217.482 1.00 0.00 -0.343 N +ATOM 5684 CB PHE B 64 187.124 203.841 219.908 1.00 0.00 0.070 C +ATOM 5685 CG PHE B 64 186.903 205.324 219.978 1.00 0.00 -0.045 A +ATOM 5686 CD1 PHE B 64 185.785 205.899 219.400 1.00 0.00 0.004 A +ATOM 5687 CD2 PHE B 64 187.808 206.142 220.629 1.00 0.00 0.004 A +ATOM 5688 CE1 PHE B 64 185.580 207.266 219.466 1.00 0.00 0.000 A +ATOM 5689 CE2 PHE B 64 187.607 207.507 220.698 1.00 0.00 0.000 A +ATOM 5690 CZ PHE B 64 186.491 208.068 220.116 1.00 0.00 0.000 A +ATOM 5691 H PHE B 64 186.128 203.093 217.475 1.00 0.00 0.164 HD +ATOM 5692 C TYR B 65 189.961 200.116 221.248 1.00 0.00 0.243 C +ATOM 5693 O TYR B 65 190.129 201.142 221.905 1.00 0.00 -0.272 OA +ATOM 5694 CA TYR B 65 189.367 200.184 219.848 1.00 0.00 0.175 C +ATOM 5695 N TYR B 65 189.029 201.566 219.542 1.00 0.00 -0.343 N +ATOM 5696 CB TYR B 65 190.341 199.608 218.817 1.00 0.00 0.070 C +ATOM 5697 CG TYR B 65 191.649 200.357 218.713 1.00 0.00 -0.045 A +ATOM 5698 CD1 TYR B 65 191.796 201.408 217.821 1.00 0.00 0.007 A +ATOM 5699 CD2 TYR B 65 192.738 200.010 219.504 1.00 0.00 0.007 A +ATOM 5700 CE1 TYR B 65 192.986 202.095 217.720 1.00 0.00 0.046 A +ATOM 5701 CE2 TYR B 65 193.933 200.692 219.408 1.00 0.00 0.046 A +ATOM 5702 CZ TYR B 65 194.052 201.734 218.515 1.00 0.00 0.115 A +ATOM 5703 OH TYR B 65 195.237 202.419 218.412 1.00 0.00 -0.507 OA +ATOM 5704 HH TYR B 65 195.800 202.101 218.948 1.00 0.00 0.294 HD +ATOM 5705 H TYR B 65 189.505 202.143 219.967 1.00 0.00 0.164 HD +ATOM 5706 C GLY B 66 189.734 197.984 223.884 1.00 0.00 0.239 C +ATOM 5707 O GLY B 66 188.606 197.775 223.437 1.00 0.00 -0.273 OA +ATOM 5708 CA GLY B 66 190.777 198.683 223.036 1.00 0.00 0.216 C +ATOM 5709 N GLY B 66 190.274 198.905 221.694 1.00 0.00 -0.346 N +ATOM 5710 H GLY B 66 190.201 198.186 221.228 1.00 0.00 0.164 HD +ATOM 5711 C GLU B 67 187.895 197.577 226.221 1.00 0.00 0.242 C +ATOM 5712 O GLU B 67 186.865 196.919 226.354 1.00 0.00 -0.273 OA +ATOM 5713 CA GLU B 67 189.235 196.880 226.003 1.00 0.00 0.171 C +ATOM 5714 N GLU B 67 190.111 197.630 225.108 1.00 0.00 -0.344 N +ATOM 5715 CB GLU B 67 189.920 196.661 227.353 1.00 0.00 0.041 C +ATOM 5716 CG GLU B 67 189.085 195.868 228.349 1.00 0.00 0.055 C +ATOM 5717 CD GLU B 67 189.813 195.614 229.652 1.00 0.00 0.041 C +ATOM 5718 OE1 GLU B 67 190.766 196.361 229.957 1.00 0.00 -0.548 OA +ATOM 5719 OE2 GLU B 67 189.434 194.666 230.370 1.00 0.00 -0.549 OA +ATOM 5720 H GLU B 67 190.879 197.814 225.448 1.00 0.00 0.164 HD +ATOM 5721 C ASN B 68 186.350 200.652 225.423 1.00 0.00 0.242 C +ATOM 5722 O ASN B 68 185.538 201.555 225.617 1.00 0.00 -0.273 OA +ATOM 5723 CA ASN B 68 186.730 199.698 226.555 1.00 0.00 0.180 C +ATOM 5724 N ASN B 68 187.918 198.905 226.251 1.00 0.00 -0.342 N +ATOM 5725 CB ASN B 68 186.954 200.488 227.845 1.00 0.00 0.134 C +ATOM 5726 CG ASN B 68 187.280 199.594 229.026 1.00 0.00 0.220 C +ATOM 5727 OD1 ASN B 68 186.686 198.529 229.196 1.00 0.00 -0.275 OA +ATOM 5728 ND2 ASN B 68 188.231 200.021 229.850 1.00 0.00 -0.368 N +ATOM 5729 HD22 ASN B 68 188.622 200.771 229.699 1.00 0.00 0.159 HD +ATOM 5730 HD21 ASN B 68 188.499 199.454 230.667 1.00 0.00 0.159 HD +ATOM 5731 H ASN B 68 188.619 199.378 226.097 1.00 0.00 0.164 HD +ATOM 5732 CB CYS B 69 185.211 201.167 222.632 1.00 0.00 0.116 C +ATOM 5733 SG CYS B 69 184.683 199.488 222.246 1.00 0.00 -0.092 SA +ATOM 5734 CA CYS B 69 186.671 201.295 223.088 1.00 0.00 0.183 C +ATOM 5735 C CYS B 69 186.982 202.759 223.391 1.00 0.00 0.244 C +ATOM 5736 N CYS B 69 186.929 200.438 224.245 1.00 0.00 -0.343 N +ATOM 5737 O CYS B 69 186.203 203.643 223.043 1.00 0.00 -0.272 OA +ATOM 5738 H CYS B 69 187.481 199.798 224.087 1.00 0.00 0.164 HD +ATOM 5739 C SER B 70 189.714 204.898 223.722 1.00 0.00 0.244 C +ATOM 5740 O SER B 70 190.047 206.076 223.849 1.00 0.00 -0.272 OA +ATOM 5741 CA SER B 70 188.482 204.362 224.453 1.00 0.00 0.197 C +ATOM 5742 N SER B 70 188.119 203.011 224.035 1.00 0.00 -0.342 N +ATOM 5743 CB SER B 70 188.722 204.399 225.965 1.00 0.00 0.191 C +ATOM 5744 OG SER B 70 189.727 203.479 226.350 1.00 0.00 -0.392 OA +ATOM 5745 HG SER B 70 189.845 203.513 227.181 1.00 0.00 0.210 HD +ATOM 5746 H SER B 70 188.700 202.413 224.243 1.00 0.00 0.164 HD +ATOM 5747 C THR B 71 191.036 204.863 220.744 1.00 0.00 0.245 C +ATOM 5748 O THR B 71 190.429 204.046 220.055 1.00 0.00 -0.273 OA +ATOM 5749 CA THR B 71 191.519 204.478 222.144 1.00 0.00 0.199 C +ATOM 5750 N THR B 71 190.384 204.044 222.954 1.00 0.00 -0.341 N +ATOM 5751 CB THR B 71 192.594 203.386 222.023 1.00 0.00 0.143 C +ATOM 5752 CG2 THR B 71 193.828 203.923 221.296 1.00 0.00 0.041 C +ATOM 5753 OG1 THR B 71 192.970 202.939 223.331 1.00 0.00 -0.389 OA +ATOM 5754 HG1 THR B 71 192.301 202.625 223.730 1.00 0.00 0.211 HD +ATOM 5755 H THR B 71 190.202 203.206 222.884 1.00 0.00 0.164 HD +ATOM 5756 C PRO B 72 191.676 206.058 217.838 1.00 0.00 0.243 C +ATOM 5757 O PRO B 72 192.898 206.010 217.961 1.00 0.00 -0.271 OA +ATOM 5758 CA PRO B 72 190.806 206.529 218.997 1.00 0.00 0.175 C +ATOM 5759 N PRO B 72 191.302 206.108 220.311 1.00 0.00 -0.329 N +ATOM 5760 CB PRO B 72 190.834 208.053 219.097 1.00 0.00 0.037 C +ATOM 5761 CG PRO B 72 191.976 208.330 220.009 1.00 0.00 0.024 C +ATOM 5762 CD PRO B 72 191.997 207.205 221.009 1.00 0.00 0.121 C +ATOM 5763 C GLU B 73 192.201 206.828 214.950 1.00 0.00 0.242 C +ATOM 5764 O GLU B 73 191.782 207.861 215.472 1.00 0.00 -0.273 OA +ATOM 5765 CA GLU B 73 191.759 205.472 215.481 1.00 0.00 0.171 C +ATOM 5766 N GLU B 73 191.041 205.712 216.724 1.00 0.00 -0.344 N +ATOM 5767 CB GLU B 73 190.878 204.734 214.478 1.00 0.00 0.041 C +ATOM 5768 CG GLU B 73 190.439 203.358 214.962 1.00 0.00 0.055 C +ATOM 5769 CD GLU B 73 189.262 202.801 214.187 1.00 0.00 0.041 C +ATOM 5770 OE1 GLU B 73 188.626 203.561 213.427 1.00 0.00 -0.548 OA +ATOM 5771 OE2 GLU B 73 188.971 201.597 214.341 1.00 0.00 -0.549 OA +ATOM 5772 H GLU B 73 190.190 205.610 216.662 1.00 0.00 0.164 HD +ATOM 5773 C PHE B 74 192.731 209.142 212.989 1.00 0.00 0.243 C +ATOM 5774 O PHE B 74 192.859 210.318 213.319 1.00 0.00 -0.272 OA +ATOM 5775 CA PHE B 74 193.694 208.086 213.530 1.00 0.00 0.175 C +ATOM 5776 N PHE B 74 193.036 206.843 213.917 1.00 0.00 -0.343 N +ATOM 5777 CB PHE B 74 194.786 207.824 212.494 1.00 0.00 0.070 C +ATOM 5778 CG PHE B 74 195.756 208.960 212.357 1.00 0.00 -0.045 A +ATOM 5779 CD1 PHE B 74 196.688 209.207 213.351 1.00 0.00 0.004 A +ATOM 5780 CD2 PHE B 74 195.725 209.793 211.254 1.00 0.00 0.004 A +ATOM 5781 CE1 PHE B 74 197.576 210.253 213.242 1.00 0.00 0.000 A +ATOM 5782 CE2 PHE B 74 196.616 210.844 211.140 1.00 0.00 0.000 A +ATOM 5783 CZ PHE B 74 197.541 211.073 212.135 1.00 0.00 0.000 A +ATOM 5784 H PHE B 74 193.235 206.162 213.432 1.00 0.00 0.164 HD +ATOM 5785 C LEU B 75 189.865 210.189 212.640 1.00 0.00 0.243 C +ATOM 5786 O LEU B 75 189.334 211.294 212.537 1.00 0.00 -0.272 OA +ATOM 5787 CA LEU B 75 190.837 209.692 211.582 1.00 0.00 0.172 C +ATOM 5788 N LEU B 75 191.778 208.736 212.157 1.00 0.00 -0.345 N +ATOM 5789 CB LEU B 75 190.074 209.074 210.412 1.00 0.00 0.038 C +ATOM 5790 CG LEU B 75 190.904 208.626 209.203 1.00 0.00 -0.015 C +ATOM 5791 CD1 LEU B 75 190.022 208.595 207.965 1.00 0.00 0.007 C +ATOM 5792 CD2 LEU B 75 192.127 209.513 208.971 1.00 0.00 0.007 C +ATOM 5793 H LEU B 75 191.655 207.921 211.911 1.00 0.00 0.165 HD +ATOM 5794 C THR B 76 189.539 210.928 215.508 1.00 0.00 0.245 C +ATOM 5795 O THR B 76 188.918 211.928 215.863 1.00 0.00 -0.273 OA +ATOM 5796 CA THR B 76 188.827 209.785 214.789 1.00 0.00 0.199 C +ATOM 5797 N THR B 76 189.633 209.367 213.655 1.00 0.00 -0.341 N +ATOM 5798 CB THR B 76 188.572 208.622 215.762 1.00 0.00 0.143 C +ATOM 5799 CG2 THR B 76 187.580 209.021 216.838 1.00 0.00 0.041 C +ATOM 5800 OG1 THR B 76 188.059 207.499 215.037 1.00 0.00 -0.389 OA +ATOM 5801 HG1 THR B 76 187.917 206.859 215.562 1.00 0.00 0.211 HD +ATOM 5802 H THR B 76 189.932 208.562 213.710 1.00 0.00 0.164 HD +ATOM 5803 C ARG B 77 191.600 213.134 215.591 1.00 0.00 0.242 C +ATOM 5804 O ARG B 77 191.515 214.202 216.194 1.00 0.00 -0.273 OA +ATOM 5805 CA ARG B 77 191.653 211.817 216.352 1.00 0.00 0.171 C +ATOM 5806 N ARG B 77 190.849 210.783 215.701 1.00 0.00 -0.344 N +ATOM 5807 CB ARG B 77 193.109 211.375 216.484 1.00 0.00 0.038 C +ATOM 5808 CG ARG B 77 193.333 210.212 217.424 1.00 0.00 0.040 C +ATOM 5809 CD ARG B 77 194.813 209.961 217.616 1.00 0.00 0.197 C +ATOM 5810 NE ARG B 77 195.453 211.038 218.363 1.00 0.00 -0.278 N +ATOM 5811 HE ARG B 77 194.946 211.613 218.752 1.00 0.00 0.260 HD +ATOM 5812 CZ ARG B 77 196.768 211.189 218.483 1.00 0.00 0.339 C +ATOM 5813 NH1 ARG B 77 197.257 212.200 219.186 1.00 0.00 -0.290 N +ATOM 5814 NH2 ARG B 77 197.595 210.333 217.896 1.00 0.00 -0.290 N +ATOM 5815 HH12 ARG B 77 196.723 212.757 219.566 1.00 0.00 0.256 HD +ATOM 5816 HH11 ARG B 77 198.108 212.300 219.262 1.00 0.00 0.256 HD +ATOM 5817 HH22 ARG B 77 197.280 209.675 217.440 1.00 0.00 0.256 HD +ATOM 5818 HH21 ARG B 77 198.445 210.434 217.975 1.00 0.00 0.256 HD +ATOM 5819 H ARG B 77 191.299 210.090 215.462 1.00 0.00 0.164 HD +ATOM 5820 C ILE B 78 190.182 214.855 213.543 1.00 0.00 0.243 C +ATOM 5821 O ILE B 78 190.051 216.070 213.675 1.00 0.00 -0.272 OA +ATOM 5822 CA ILE B 78 191.570 214.238 213.426 1.00 0.00 0.174 C +ATOM 5823 N ILE B 78 191.664 213.052 214.266 1.00 0.00 -0.343 N +ATOM 5824 CB ILE B 78 191.872 213.914 211.952 1.00 0.00 0.018 C +ATOM 5825 CG2 ILE B 78 191.666 215.153 211.074 1.00 0.00 0.010 C +ATOM 5826 CG1 ILE B 78 193.307 213.397 211.818 1.00 0.00 0.002 C +ATOM 5827 CD1 ILE B 78 193.690 212.963 210.419 1.00 0.00 0.004 C +ATOM 5828 H ILE B 78 191.762 212.319 213.829 1.00 0.00 0.164 HD +ATOM 5829 C LYS B 79 187.599 215.216 214.960 1.00 0.00 0.242 C +ATOM 5830 O LYS B 79 187.042 216.313 214.999 1.00 0.00 -0.273 OA +ATOM 5831 CA LYS B 79 187.781 214.479 213.640 1.00 0.00 0.171 C +ATOM 5832 N LYS B 79 189.154 214.014 213.487 1.00 0.00 -0.344 N +ATOM 5833 CB LYS B 79 186.799 213.309 213.565 1.00 0.00 0.035 C +ATOM 5834 CG LYS B 79 186.413 212.900 212.150 1.00 0.00 0.008 C +ATOM 5835 CD LYS B 79 185.304 211.852 212.144 1.00 0.00 0.061 C +ATOM 5836 CE LYS B 79 183.983 212.416 212.662 1.00 0.00 0.258 C +ATOM 5837 NZ LYS B 79 182.877 211.421 212.612 1.00 0.00 -0.357 N +ATOM 5838 HZ1 LYS B 79 182.127 211.785 212.921 1.00 0.00 0.345 HD +ATOM 5839 HZ2 LYS B 79 182.746 211.154 211.773 1.00 0.00 0.345 HD +ATOM 5840 HZ3 LYS B 79 183.082 210.713 213.112 1.00 0.00 0.345 HD +ATOM 5841 H LYS B 79 189.226 213.167 213.361 1.00 0.00 0.164 HD +ATOM 5842 C LEU B 80 188.691 216.478 217.518 1.00 0.00 0.243 C +ATOM 5843 O LEU B 80 188.231 217.411 218.175 1.00 0.00 -0.272 OA +ATOM 5844 CA LEU B 80 187.912 215.179 217.371 1.00 0.00 0.172 C +ATOM 5845 N LEU B 80 188.075 214.609 216.041 1.00 0.00 -0.345 N +ATOM 5846 CB LEU B 80 188.351 214.177 218.441 1.00 0.00 0.038 C +ATOM 5847 CG LEU B 80 187.496 212.912 218.568 1.00 0.00 -0.015 C +ATOM 5848 CD1 LEU B 80 188.065 211.990 219.631 1.00 0.00 0.007 C +ATOM 5849 CD2 LEU B 80 186.049 213.254 218.879 1.00 0.00 0.007 C +ATOM 5850 H LEU B 80 188.498 213.860 216.030 1.00 0.00 0.165 HD +ATOM 5851 C PHE B 81 190.023 218.915 216.269 1.00 0.00 0.243 C +ATOM 5852 O PHE B 81 190.116 220.054 216.720 1.00 0.00 -0.272 OA +ATOM 5853 CA PHE B 81 190.689 217.741 216.980 1.00 0.00 0.175 C +ATOM 5854 N PHE B 81 189.866 216.541 216.904 1.00 0.00 -0.343 N +ATOM 5855 CB PHE B 81 192.074 217.487 216.380 1.00 0.00 0.070 C +ATOM 5856 CG PHE B 81 192.950 218.709 216.346 1.00 0.00 -0.045 A +ATOM 5857 CD1 PHE B 81 193.417 219.275 217.520 1.00 0.00 0.004 A +ATOM 5858 CD2 PHE B 81 193.302 219.293 215.141 1.00 0.00 0.004 A +ATOM 5859 CE1 PHE B 81 194.216 220.400 217.493 1.00 0.00 0.000 A +ATOM 5860 CE2 PHE B 81 194.103 220.419 215.110 1.00 0.00 0.000 A +ATOM 5861 CZ PHE B 81 194.560 220.971 216.288 1.00 0.00 0.000 A +ATOM 5862 H PHE B 81 190.210 215.905 216.439 1.00 0.00 0.164 HD +ATOM 5863 C LEU B 82 187.338 220.072 214.800 1.00 0.00 0.243 C +ATOM 5864 O LEU B 82 186.895 221.192 214.548 1.00 0.00 -0.272 OA +ATOM 5865 CA LEU B 82 188.741 219.681 214.342 1.00 0.00 0.172 C +ATOM 5866 N LEU B 82 189.346 218.633 215.161 1.00 0.00 -0.345 N +ATOM 5867 CB LEU B 82 188.686 219.241 212.876 1.00 0.00 0.038 C +ATOM 5868 CG LEU B 82 190.024 219.004 212.165 1.00 0.00 -0.015 C +ATOM 5869 CD1 LEU B 82 189.781 218.668 210.704 1.00 0.00 0.007 C +ATOM 5870 CD2 LEU B 82 190.946 220.206 212.288 1.00 0.00 0.007 C +ATOM 5871 H LEU B 82 189.221 217.838 214.859 1.00 0.00 0.165 HD +ATOM 5872 C LYS B 83 185.097 220.499 216.883 1.00 0.00 0.242 C +ATOM 5873 O LYS B 83 185.599 220.371 217.997 1.00 0.00 -0.273 OA +ATOM 5874 CA LYS B 83 185.248 219.390 215.837 1.00 0.00 0.171 C +ATOM 5875 N LYS B 83 186.642 219.159 215.467 1.00 0.00 -0.344 N +ATOM 5876 CB LYS B 83 184.616 218.103 216.367 1.00 0.00 0.035 C +ATOM 5877 CG LYS B 83 183.712 217.411 215.357 1.00 0.00 0.008 C +ATOM 5878 CD LYS B 83 183.171 216.092 215.888 1.00 0.00 0.061 C +ATOM 5879 CE LYS B 83 182.300 215.397 214.853 1.00 0.00 0.258 C +ATOM 5880 NZ LYS B 83 181.935 214.010 215.254 1.00 0.00 -0.357 N +ATOM 5881 HZ1 LYS B 83 181.427 213.636 214.626 1.00 0.00 0.345 HD +ATOM 5882 HZ2 LYS B 83 182.671 213.521 215.361 1.00 0.00 0.345 HD +ATOM 5883 HZ3 LYS B 83 181.483 214.025 216.021 1.00 0.00 0.345 HD +ATOM 5884 H LYS B 83 186.952 218.397 215.717 1.00 0.00 0.164 HD +ATOM 5885 C PRO B 84 183.080 222.128 218.556 1.00 0.00 0.243 C +ATOM 5886 O PRO B 84 182.285 221.247 218.236 1.00 0.00 -0.271 OA +ATOM 5887 CA PRO B 84 184.106 222.619 217.542 1.00 0.00 0.175 C +ATOM 5888 N PRO B 84 184.400 221.597 216.531 1.00 0.00 -0.329 N +ATOM 5889 CB PRO B 84 183.551 223.779 216.714 1.00 0.00 0.037 C +ATOM 5890 CG PRO B 84 182.984 223.131 215.507 1.00 0.00 0.024 C +ATOM 5891 CD PRO B 84 183.876 221.974 215.207 1.00 0.00 0.121 C +ATOM 5892 C THR B 85 180.769 222.781 220.470 1.00 0.00 0.245 C +ATOM 5893 O THR B 85 180.626 223.811 219.819 1.00 0.00 -0.273 OA +ATOM 5894 CA THR B 85 182.174 222.271 220.801 1.00 0.00 0.199 C +ATOM 5895 N THR B 85 183.102 222.688 219.759 1.00 0.00 -0.341 N +ATOM 5896 CB THR B 85 182.630 222.780 222.194 1.00 0.00 0.143 C +ATOM 5897 CG2 THR B 85 182.345 224.265 222.371 1.00 0.00 0.041 C +ATOM 5898 OG1 THR B 85 181.961 222.043 223.223 1.00 0.00 -0.389 OA +ATOM 5899 HG1 THR B 85 181.130 222.142 223.153 1.00 0.00 0.211 HD +ATOM 5900 H THR B 85 183.644 223.312 219.997 1.00 0.00 0.164 HD +ATOM 5901 C PRO B 86 178.045 223.920 221.099 1.00 0.00 0.243 C +ATOM 5902 O PRO B 86 177.270 224.630 220.462 1.00 0.00 -0.271 OA +ATOM 5903 CA PRO B 86 178.356 222.508 220.598 1.00 0.00 0.175 C +ATOM 5904 N PRO B 86 179.721 222.053 220.897 1.00 0.00 -0.329 N +ATOM 5905 CB PRO B 86 177.484 221.473 221.312 1.00 0.00 0.037 C +ATOM 5906 CG PRO B 86 178.317 220.245 221.335 1.00 0.00 0.024 C +ATOM 5907 CD PRO B 86 179.726 220.715 221.518 1.00 0.00 0.121 C +ATOM 5908 C ASN B 87 179.050 226.729 221.813 1.00 0.00 0.242 C +ATOM 5909 O ASN B 87 178.607 227.877 221.794 1.00 0.00 -0.273 OA +ATOM 5910 CA ASN B 87 178.432 225.673 222.728 1.00 0.00 0.180 C +ATOM 5911 N ASN B 87 178.637 224.324 222.216 1.00 0.00 -0.342 N +ATOM 5912 CB ASN B 87 179.009 225.807 224.138 1.00 0.00 0.134 C +ATOM 5913 CG ASN B 87 178.193 225.058 225.181 1.00 0.00 0.220 C +ATOM 5914 OD1 ASN B 87 177.011 224.771 224.980 1.00 0.00 -0.275 OA +ATOM 5915 ND2 ASN B 87 178.823 224.747 226.307 1.00 0.00 -0.368 N +ATOM 5916 HD22 ASN B 87 178.407 224.323 226.929 1.00 0.00 0.159 HD +ATOM 5917 HD21 ASN B 87 179.647 224.968 226.415 1.00 0.00 0.159 HD +ATOM 5918 H ASN B 87 179.161 223.838 222.695 1.00 0.00 0.164 HD +ATOM 5919 C THR B 88 179.849 227.353 218.870 1.00 0.00 0.245 C +ATOM 5920 O THR B 88 179.610 228.456 218.380 1.00 0.00 -0.273 OA +ATOM 5921 CA THR B 88 180.723 227.221 220.104 1.00 0.00 0.199 C +ATOM 5922 N THR B 88 180.069 226.331 221.058 1.00 0.00 -0.341 N +ATOM 5923 CB THR B 88 182.130 226.700 219.713 1.00 0.00 0.143 C +ATOM 5924 CG2 THR B 88 182.632 227.335 218.415 1.00 0.00 0.041 C +ATOM 5925 OG1 THR B 88 183.055 227.007 220.761 1.00 0.00 -0.389 OA +ATOM 5926 HG1 THR B 88 183.821 226.729 220.558 1.00 0.00 0.211 HD +ATOM 5927 H THR B 88 180.405 225.539 221.080 1.00 0.00 0.164 HD +ATOM 5928 C VAL B 89 177.214 226.991 217.550 1.00 0.00 0.243 C +ATOM 5929 O VAL B 89 176.712 227.729 216.704 1.00 0.00 -0.272 OA +ATOM 5930 CA VAL B 89 178.468 226.185 217.236 1.00 0.00 0.173 C +ATOM 5931 N VAL B 89 179.377 226.214 218.373 1.00 0.00 -0.343 N +ATOM 5932 CB VAL B 89 178.078 224.740 216.865 1.00 0.00 0.015 C +ATOM 5933 CG1 VAL B 89 177.074 224.722 215.726 1.00 0.00 0.010 C +ATOM 5934 CG2 VAL B 89 179.316 223.943 216.490 1.00 0.00 0.010 C +ATOM 5935 H VAL B 89 179.571 225.436 218.682 1.00 0.00 0.164 HD +ATOM 5936 C HIS B 90 175.783 229.072 219.229 1.00 0.00 0.242 C +ATOM 5937 O HIS B 90 174.936 229.850 218.793 1.00 0.00 -0.272 OA +ATOM 5938 CA HIS B 90 175.533 227.570 219.218 1.00 0.00 0.177 C +ATOM 5939 N HIS B 90 176.717 226.843 218.773 1.00 0.00 -0.343 N +ATOM 5940 CB HIS B 90 175.107 227.104 220.610 1.00 0.00 0.090 C +ATOM 5941 CG HIS B 90 173.947 227.867 221.172 1.00 0.00 0.037 A +ATOM 5942 ND1 HIS B 90 172.637 227.499 220.950 1.00 0.00 -0.347 N +ATOM 5943 CD2 HIS B 90 173.900 228.981 221.940 1.00 0.00 0.134 A +ATOM 5944 HD1 HIS B 90 172.383 226.819 220.488 1.00 0.00 0.167 HD +ATOM 5945 CE1 HIS B 90 171.834 228.351 221.560 1.00 0.00 0.196 A +ATOM 5946 NE2 HIS B 90 172.575 229.260 222.168 1.00 0.00 -0.245 NA +ATOM 5947 H HIS B 90 177.050 226.322 219.371 1.00 0.00 0.164 HD +ATOM 5948 C TYR B 91 177.306 231.464 218.359 1.00 0.00 0.243 C +ATOM 5949 O TYR B 91 176.744 232.531 218.119 1.00 0.00 -0.272 OA +ATOM 5950 CA TYR B 91 177.317 230.883 219.764 1.00 0.00 0.175 C +ATOM 5951 N TYR B 91 176.946 229.475 219.733 1.00 0.00 -0.343 N +ATOM 5952 CB TYR B 91 178.703 231.070 220.386 1.00 0.00 0.070 C +ATOM 5953 CG TYR B 91 179.129 232.519 220.469 1.00 0.00 -0.045 A +ATOM 5954 CD1 TYR B 91 179.773 233.139 219.405 1.00 0.00 0.007 A +ATOM 5955 CD2 TYR B 91 178.881 233.268 221.609 1.00 0.00 0.007 A +ATOM 5956 CE1 TYR B 91 180.159 234.463 219.478 1.00 0.00 0.046 A +ATOM 5957 CE2 TYR B 91 179.264 234.591 221.690 1.00 0.00 0.046 A +ATOM 5958 CZ TYR B 91 179.901 235.183 220.623 1.00 0.00 0.115 A +ATOM 5959 OH TYR B 91 180.279 236.502 220.707 1.00 0.00 -0.507 OA +ATOM 5960 HH TYR B 91 180.061 236.816 221.455 1.00 0.00 0.294 HD +ATOM 5961 H TYR B 91 177.540 228.948 220.065 1.00 0.00 0.164 HD +ATOM 5962 C ILE B 92 176.728 231.296 215.356 1.00 0.00 0.243 C +ATOM 5963 O ILE B 92 176.484 232.232 214.596 1.00 0.00 -0.272 OA +ATOM 5964 CA ILE B 92 178.079 231.200 216.061 1.00 0.00 0.174 C +ATOM 5965 N ILE B 92 177.936 230.748 217.437 1.00 0.00 -0.343 N +ATOM 5966 CB ILE B 92 179.022 230.259 215.283 1.00 0.00 0.018 C +ATOM 5967 CG2 ILE B 92 178.969 230.530 213.781 1.00 0.00 0.010 C +ATOM 5968 CG1 ILE B 92 180.455 230.441 215.792 1.00 0.00 0.002 C +ATOM 5969 CD1 ILE B 92 181.358 229.260 215.546 1.00 0.00 0.004 C +ATOM 5970 H ILE B 92 178.296 229.981 217.588 1.00 0.00 0.164 HD +ATOM 5971 C LEU B 93 173.597 231.364 215.557 1.00 0.00 0.243 C +ATOM 5972 O LEU B 93 172.619 231.736 214.911 1.00 0.00 -0.272 OA +ATOM 5973 CA LEU B 93 174.536 230.302 214.988 1.00 0.00 0.172 C +ATOM 5974 N LEU B 93 175.854 230.330 215.616 1.00 0.00 -0.345 N +ATOM 5975 CB LEU B 93 173.906 228.918 215.149 1.00 0.00 0.038 C +ATOM 5976 CG LEU B 93 174.368 227.862 214.145 1.00 0.00 -0.015 C +ATOM 5977 CD1 LEU B 93 174.113 226.472 214.683 1.00 0.00 0.007 C +ATOM 5978 CD2 LEU B 93 173.661 228.054 212.814 1.00 0.00 0.007 C +ATOM 5979 H LEU B 93 175.999 229.676 216.155 1.00 0.00 0.165 HD +ATOM 5980 C THR B 94 173.650 234.226 217.475 1.00 0.00 0.245 C +ATOM 5981 O THR B 94 173.108 235.123 218.118 1.00 0.00 -0.273 OA +ATOM 5982 CA THR B 94 173.039 232.824 217.434 1.00 0.00 0.199 C +ATOM 5983 N THR B 94 173.900 231.855 216.756 1.00 0.00 -0.341 N +ATOM 5984 CB THR B 94 172.725 232.381 218.872 1.00 0.00 0.143 C +ATOM 5985 CG2 THR B 94 172.046 231.016 218.873 1.00 0.00 0.041 C +ATOM 5986 OG1 THR B 94 173.936 232.320 219.638 1.00 0.00 -0.389 OA +ATOM 5987 HG1 THR B 94 174.468 231.770 219.291 1.00 0.00 0.211 HD +ATOM 5988 H THR B 94 174.603 231.641 217.203 1.00 0.00 0.164 HD +ATOM 5989 C HIS B 95 175.649 236.006 215.165 1.00 0.00 0.242 C +ATOM 5990 O HIS B 95 175.344 235.178 214.309 1.00 0.00 -0.272 OA +ATOM 5991 CA HIS B 95 175.393 235.725 216.641 1.00 0.00 0.177 C +ATOM 5992 N HIS B 95 174.778 234.408 216.794 1.00 0.00 -0.343 N +ATOM 5993 CB HIS B 95 176.702 235.816 217.429 1.00 0.00 0.090 C +ATOM 5994 CG HIS B 95 176.519 235.820 218.915 1.00 0.00 0.037 A +ATOM 5995 ND1 HIS B 95 176.052 234.728 219.614 1.00 0.00 -0.347 N +ATOM 5996 CD2 HIS B 95 176.747 236.786 219.836 1.00 0.00 0.134 A +ATOM 5997 HD1 HIS B 95 175.829 233.973 219.266 1.00 0.00 0.167 HD +ATOM 5998 CE1 HIS B 95 175.997 235.022 220.901 1.00 0.00 0.196 A +ATOM 5999 NE2 HIS B 95 176.413 236.264 221.063 1.00 0.00 -0.245 NA +ATOM 6000 H HIS B 95 175.212 233.776 216.405 1.00 0.00 0.164 HD +ATOM 6001 C PHE B 96 175.396 237.517 212.567 1.00 0.00 0.243 C +ATOM 6002 O PHE B 96 175.423 236.869 211.520 1.00 0.00 -0.272 OA +ATOM 6003 CA PHE B 96 176.593 237.539 213.516 1.00 0.00 0.175 C +ATOM 6004 N PHE B 96 176.202 237.179 214.876 1.00 0.00 -0.343 N +ATOM 6005 CB PHE B 96 177.690 236.595 213.023 1.00 0.00 0.070 C +ATOM 6006 CG PHE B 96 178.756 236.333 214.047 1.00 0.00 -0.045 A +ATOM 6007 CD1 PHE B 96 179.577 237.356 214.487 1.00 0.00 0.004 A +ATOM 6008 CD2 PHE B 96 178.931 235.067 214.576 1.00 0.00 0.004 A +ATOM 6009 CE1 PHE B 96 180.554 237.119 215.432 1.00 0.00 0.000 A +ATOM 6010 CE2 PHE B 96 179.909 234.826 215.522 1.00 0.00 0.000 A +ATOM 6011 CZ PHE B 96 180.720 235.853 215.949 1.00 0.00 0.000 A +ATOM 6012 H PHE B 96 176.364 237.791 215.457 1.00 0.00 0.164 HD +ATOM 6013 C LYS B 97 173.310 238.712 210.746 1.00 0.00 0.242 C +ATOM 6014 O LYS B 97 172.723 238.134 209.831 1.00 0.00 -0.273 OA +ATOM 6015 CA LYS B 97 173.102 238.287 212.199 1.00 0.00 0.171 C +ATOM 6016 N LYS B 97 174.350 238.239 212.951 1.00 0.00 -0.344 N +ATOM 6017 CB LYS B 97 172.131 239.252 212.877 1.00 0.00 0.035 C +ATOM 6018 CG LYS B 97 170.666 238.880 212.749 1.00 0.00 0.008 C +ATOM 6019 CD LYS B 97 169.770 240.109 212.810 1.00 0.00 0.061 C +ATOM 6020 CE LYS B 97 170.100 241.028 213.990 1.00 0.00 0.258 C +ATOM 6021 NZ LYS B 97 169.354 242.309 213.905 1.00 0.00 -0.357 N +ATOM 6022 HZ1 LYS B 97 169.560 242.827 214.599 1.00 0.00 0.345 HD +ATOM 6023 HZ2 LYS B 97 169.566 242.735 213.153 1.00 0.00 0.345 HD +ATOM 6024 HZ3 LYS B 97 168.478 242.152 213.912 1.00 0.00 0.345 HD +ATOM 6025 H LYS B 97 174.339 238.722 213.663 1.00 0.00 0.164 HD +ATOM 6026 C GLY B 98 174.999 239.219 208.294 1.00 0.00 0.239 C +ATOM 6027 O GLY B 98 174.685 239.165 207.105 1.00 0.00 -0.273 OA +ATOM 6028 CA GLY B 98 174.394 240.259 209.214 1.00 0.00 0.216 C +ATOM 6029 N GLY B 98 174.138 239.733 210.544 1.00 0.00 -0.346 N +ATOM 6030 H GLY B 98 174.566 240.140 211.169 1.00 0.00 0.164 HD +ATOM 6031 C PHE B 99 175.475 236.273 207.666 1.00 0.00 0.243 C +ATOM 6032 O PHE B 99 175.488 235.815 206.524 1.00 0.00 -0.272 OA +ATOM 6033 CA PHE B 99 176.505 237.313 208.102 1.00 0.00 0.175 C +ATOM 6034 N PHE B 99 175.874 238.390 208.852 1.00 0.00 -0.343 N +ATOM 6035 CB PHE B 99 177.604 236.662 208.947 1.00 0.00 0.070 C +ATOM 6036 CG PHE B 99 178.056 235.324 208.439 1.00 0.00 -0.045 A +ATOM 6037 CD1 PHE B 99 178.858 235.227 207.316 1.00 0.00 0.004 A +ATOM 6038 CD2 PHE B 99 177.692 234.164 209.098 1.00 0.00 0.004 A +ATOM 6039 CE1 PHE B 99 179.277 233.995 206.854 1.00 0.00 0.000 A +ATOM 6040 CE2 PHE B 99 178.109 232.931 208.640 1.00 0.00 0.000 A +ATOM 6041 CZ PHE B 99 178.903 232.848 207.517 1.00 0.00 0.000 A +ATOM 6042 H PHE B 99 176.121 238.431 209.675 1.00 0.00 0.164 HD +ATOM 6043 C TRP B 100 172.511 235.422 207.298 1.00 0.00 0.242 C +ATOM 6044 O TRP B 100 171.946 234.645 206.532 1.00 0.00 -0.272 OA +ATOM 6045 CA TRP B 100 173.563 234.907 208.277 1.00 0.00 0.175 C +ATOM 6046 N TRP B 100 174.574 235.915 208.573 1.00 0.00 -0.343 N +ATOM 6047 CB TRP B 100 172.894 234.433 209.567 1.00 0.00 0.072 C +ATOM 6048 CG TRP B 100 173.805 233.607 210.422 1.00 0.00 -0.020 A +ATOM 6049 CD1 TRP B 100 174.282 233.925 211.658 1.00 0.00 0.087 A +ATOM 6050 CD2 TRP B 100 174.363 232.331 210.093 1.00 0.00 0.003 A +ATOM 6051 NE1 TRP B 100 175.096 232.922 212.124 1.00 0.00 -0.359 N +ATOM 6052 CE2 TRP B 100 175.162 231.931 211.180 1.00 0.00 0.046 A +ATOM 6053 CE3 TRP B 100 174.260 231.485 208.985 1.00 0.00 0.010 A +ATOM 6054 HE1 TRP B 100 175.499 232.917 212.883 1.00 0.00 0.166 HD +ATOM 6055 CZ2 TRP B 100 175.856 230.722 211.193 1.00 0.00 0.026 A +ATOM 6056 CZ3 TRP B 100 174.947 230.285 209.000 1.00 0.00 0.001 A +ATOM 6057 CH2 TRP B 100 175.735 229.916 210.095 1.00 0.00 0.002 A +ATOM 6058 H TRP B 100 174.526 236.240 209.368 1.00 0.00 0.164 HD +ATOM 6059 C ASN B 101 171.839 237.094 204.929 1.00 0.00 0.242 C +ATOM 6060 O ASN B 101 171.040 236.910 204.011 1.00 0.00 -0.273 OA +ATOM 6061 CA ASN B 101 171.351 237.337 206.349 1.00 0.00 0.180 C +ATOM 6062 N ASN B 101 172.253 236.726 207.320 1.00 0.00 -0.342 N +ATOM 6063 CB ASN B 101 171.215 238.840 206.599 1.00 0.00 0.134 C +ATOM 6064 CG ASN B 101 170.279 239.163 207.752 1.00 0.00 0.220 C +ATOM 6065 OD1 ASN B 101 169.324 238.432 208.018 1.00 0.00 -0.275 OA +ATOM 6066 ND2 ASN B 101 170.546 240.270 208.436 1.00 0.00 -0.368 N +ATOM 6067 HD22 ASN B 101 170.046 240.497 209.098 1.00 0.00 0.159 HD +ATOM 6068 HD21 ASN B 101 171.219 240.759 208.218 1.00 0.00 0.159 HD +ATOM 6069 H ASN B 101 172.588 237.280 207.887 1.00 0.00 0.164 HD +ATOM 6070 C VAL B 102 173.691 235.346 203.130 1.00 0.00 0.243 C +ATOM 6071 O VAL B 102 173.224 234.965 202.058 1.00 0.00 -0.272 OA +ATOM 6072 CA VAL B 102 173.755 236.833 203.453 1.00 0.00 0.173 C +ATOM 6073 N VAL B 102 173.156 237.091 204.756 1.00 0.00 -0.343 N +ATOM 6074 CB VAL B 102 175.217 237.318 203.397 1.00 0.00 0.015 C +ATOM 6075 CG1 VAL B 102 175.886 236.894 202.088 1.00 0.00 0.010 C +ATOM 6076 CG2 VAL B 102 175.271 238.829 203.556 1.00 0.00 0.010 C +ATOM 6077 H VAL B 102 173.728 237.236 205.381 1.00 0.00 0.164 HD +ATOM 6078 C VAL B 103 172.690 232.619 203.571 1.00 0.00 0.243 C +ATOM 6079 O VAL B 103 172.479 231.793 202.684 1.00 0.00 -0.272 OA +ATOM 6080 CA VAL B 103 174.110 233.065 203.897 1.00 0.00 0.173 C +ATOM 6081 N VAL B 103 174.167 234.517 204.055 1.00 0.00 -0.343 N +ATOM 6082 CB VAL B 103 174.589 232.331 205.172 1.00 0.00 0.015 C +ATOM 6083 CG1 VAL B 103 174.372 230.819 205.052 1.00 0.00 0.010 C +ATOM 6084 CG2 VAL B 103 176.051 232.632 205.439 1.00 0.00 0.010 C +ATOM 6085 H VAL B 103 174.532 234.772 204.790 1.00 0.00 0.164 HD +ATOM 6086 C ASN B 104 169.813 233.064 202.714 1.00 0.00 0.242 C +ATOM 6087 O ASN B 104 168.911 232.375 202.241 1.00 0.00 -0.273 OA +ATOM 6088 CA ASN B 104 170.324 232.805 204.127 1.00 0.00 0.180 C +ATOM 6089 N ASN B 104 171.725 233.174 204.295 1.00 0.00 -0.342 N +ATOM 6090 CB ASN B 104 169.452 233.562 205.133 1.00 0.00 0.134 C +ATOM 6091 CG ASN B 104 169.553 232.996 206.538 1.00 0.00 0.220 C +ATOM 6092 OD1 ASN B 104 169.951 231.848 206.731 1.00 0.00 -0.275 OA +ATOM 6093 ND2 ASN B 104 169.189 233.803 207.527 1.00 0.00 -0.368 N +ATOM 6094 HD22 ASN B 104 169.228 233.529 208.342 1.00 0.00 0.159 HD +ATOM 6095 HD21 ASN B 104 168.914 234.599 207.354 1.00 0.00 0.159 HD +ATOM 6096 H ASN B 104 171.857 233.774 204.897 1.00 0.00 0.164 HD +ATOM 6097 C ASN B 105 170.843 233.825 199.608 1.00 0.00 0.242 C +ATOM 6098 O ASN B 105 170.697 234.159 198.434 1.00 0.00 -0.273 OA +ATOM 6099 CA ASN B 105 169.969 234.435 200.701 1.00 0.00 0.180 C +ATOM 6100 N ASN B 105 170.396 234.054 202.045 1.00 0.00 -0.342 N +ATOM 6101 CB ASN B 105 169.954 235.958 200.568 1.00 0.00 0.134 C +ATOM 6102 CG ASN B 105 168.797 236.596 201.308 1.00 0.00 0.220 C +ATOM 6103 OD1 ASN B 105 167.697 236.047 201.354 1.00 0.00 -0.275 OA +ATOM 6104 ND2 ASN B 105 169.038 237.760 201.893 1.00 0.00 -0.368 N +ATOM 6105 HD22 ASN B 105 168.413 238.162 202.326 1.00 0.00 0.159 HD +ATOM 6106 HD21 ASN B 105 169.820 238.114 201.841 1.00 0.00 0.159 HD +ATOM 6107 H ASN B 105 171.048 234.526 202.350 1.00 0.00 0.164 HD +ATOM 6108 C ILE B 105A 172.032 230.705 199.125 1.00 0.00 0.243 C +ATOM 6109 O ILE B 105A 172.491 229.935 199.963 1.00 0.00 -0.272 OA +ATOM 6110 CA ILE B 105A 172.535 232.148 199.057 1.00 0.00 0.174 C +ATOM 6111 N ILE B 105A 171.748 232.934 200.002 1.00 0.00 -0.343 N +ATOM 6112 CB ILE B 105A 174.039 232.203 199.368 1.00 0.00 0.018 C +ATOM 6113 CG2 ILE B 105A 174.818 231.347 198.373 1.00 0.00 0.010 C +ATOM 6114 CG1 ILE B 105A 174.533 233.650 199.310 1.00 0.00 0.002 C +ATOM 6115 CD1 ILE B 105A 175.949 233.848 199.814 1.00 0.00 0.004 C +ATOM 6116 H ILE B 105A 171.929 232.765 200.825 1.00 0.00 0.164 HD +ATOM 6117 C PRO B 106 171.384 227.863 198.396 1.00 0.00 0.243 C +ATOM 6118 O PRO B 106 171.188 226.930 199.174 1.00 0.00 -0.271 OA +ATOM 6119 CA PRO B 106 170.408 229.032 198.344 1.00 0.00 0.175 C +ATOM 6120 N PRO B 106 171.076 230.339 198.250 1.00 0.00 -0.329 N +ATOM 6121 CB PRO B 106 169.568 228.974 197.064 1.00 0.00 0.037 C +ATOM 6122 CG PRO B 106 169.372 230.387 196.670 1.00 0.00 0.024 C +ATOM 6123 CD PRO B 106 170.612 231.102 197.077 1.00 0.00 0.121 C +ATOM 6124 C PHE B 107 174.045 226.613 198.884 1.00 0.00 0.243 C +ATOM 6125 O PHE B 107 174.226 225.466 199.289 1.00 0.00 -0.272 OA +ATOM 6126 CA PHE B 107 173.419 226.864 197.518 1.00 0.00 0.175 C +ATOM 6127 N PHE B 107 172.423 227.923 197.572 1.00 0.00 -0.343 N +ATOM 6128 CB PHE B 107 174.506 227.211 196.503 1.00 0.00 0.070 C +ATOM 6129 CG PHE B 107 175.725 226.347 196.609 1.00 0.00 -0.045 A +ATOM 6130 CD1 PHE B 107 175.741 225.079 196.054 1.00 0.00 0.004 A +ATOM 6131 CD2 PHE B 107 176.855 226.800 197.268 1.00 0.00 0.004 A +ATOM 6132 CE1 PHE B 107 176.862 224.279 196.154 1.00 0.00 0.000 A +ATOM 6133 CE2 PHE B 107 177.979 226.006 197.371 1.00 0.00 0.000 A +ATOM 6134 CZ PHE B 107 177.982 224.744 196.813 1.00 0.00 0.000 A +ATOM 6135 H PHE B 107 172.574 228.574 197.031 1.00 0.00 0.164 HD +ATOM 6136 C LEU B 108 173.963 227.148 201.954 1.00 0.00 0.243 C +ATOM 6137 O LEU B 108 174.210 226.219 202.723 1.00 0.00 -0.272 OA +ATOM 6138 CA LEU B 108 174.979 227.588 200.913 1.00 0.00 0.172 C +ATOM 6139 N LEU B 108 174.378 227.691 199.587 1.00 0.00 -0.345 N +ATOM 6140 CB LEU B 108 175.590 228.925 201.331 1.00 0.00 0.038 C +ATOM 6141 CG LEU B 108 177.054 229.158 200.961 1.00 0.00 -0.015 C +ATOM 6142 CD1 LEU B 108 177.442 230.589 201.285 1.00 0.00 0.007 C +ATOM 6143 CD2 LEU B 108 177.962 228.179 201.696 1.00 0.00 0.007 C +ATOM 6144 H LEU B 108 174.265 228.499 199.316 1.00 0.00 0.165 HD +ATOM 6145 C ARG B 109 171.367 226.064 202.874 1.00 0.00 0.242 C +ATOM 6146 O ARG B 109 171.214 225.413 203.906 1.00 0.00 -0.273 OA +ATOM 6147 CA ARG B 109 171.768 227.537 202.931 1.00 0.00 0.171 C +ATOM 6148 N ARG B 109 172.827 227.834 201.980 1.00 0.00 -0.344 N +ATOM 6149 CB ARG B 109 170.555 228.420 202.654 1.00 0.00 0.038 C +ATOM 6150 CG ARG B 109 169.473 228.335 203.710 1.00 0.00 0.040 C +ATOM 6151 CD ARG B 109 168.116 228.532 203.091 1.00 0.00 0.197 C +ATOM 6152 NE ARG B 109 167.043 228.440 204.073 1.00 0.00 -0.278 N +ATOM 6153 HE ARG B 109 167.251 228.219 204.877 1.00 0.00 0.260 HD +ATOM 6154 CZ ARG B 109 165.754 228.560 203.775 1.00 0.00 0.339 C +ATOM 6155 NH1 ARG B 109 164.840 228.462 204.729 1.00 0.00 -0.290 N +ATOM 6156 NH2 ARG B 109 165.380 228.777 202.520 1.00 0.00 -0.290 N +ATOM 6157 HH12 ARG B 109 165.081 228.322 205.543 1.00 0.00 0.256 HD +ATOM 6158 HH11 ARG B 109 164.006 228.540 204.536 1.00 0.00 0.256 HD +ATOM 6159 HH22 ARG B 109 165.972 228.840 201.900 1.00 0.00 0.256 HD +ATOM 6160 HH21 ARG B 109 164.545 228.854 202.328 1.00 0.00 0.256 HD +ATOM 6161 H ARG B 109 172.644 228.484 201.448 1.00 0.00 0.164 HD +ATOM 6162 C ASN B 110 171.919 223.200 201.988 1.00 0.00 0.242 C +ATOM 6163 O ASN B 110 171.615 222.178 202.604 1.00 0.00 -0.273 OA +ATOM 6164 CA ASN B 110 170.843 224.149 201.467 1.00 0.00 0.180 C +ATOM 6165 N ASN B 110 171.204 225.546 201.662 1.00 0.00 -0.342 N +ATOM 6166 CB ASN B 110 170.583 223.871 199.985 1.00 0.00 0.134 C +ATOM 6167 CG ASN B 110 169.353 224.585 199.465 1.00 0.00 0.220 C +ATOM 6168 OD1 ASN B 110 168.416 224.863 200.214 1.00 0.00 -0.275 OA +ATOM 6169 ND2 ASN B 110 169.347 224.882 198.172 1.00 0.00 -0.368 N +ATOM 6170 HD22 ASN B 110 168.671 225.287 197.827 1.00 0.00 0.159 HD +ATOM 6171 HD21 ASN B 110 170.018 224.669 197.678 1.00 0.00 0.159 HD +ATOM 6172 H ASN B 110 171.298 225.988 200.930 1.00 0.00 0.164 HD +ATOM 6173 C ALA B 111 174.368 222.653 203.685 1.00 0.00 0.243 C +ATOM 6174 O ALA B 111 174.631 221.600 204.262 1.00 0.00 -0.272 OA +ATOM 6175 CA ALA B 111 174.294 222.714 202.164 1.00 0.00 0.168 C +ATOM 6176 N ALA B 111 173.177 223.545 201.736 1.00 0.00 -0.344 N +ATOM 6177 CB ALA B 111 175.597 223.243 201.589 1.00 0.00 0.041 C +ATOM 6178 H ALA B 111 173.411 224.259 201.318 1.00 0.00 0.164 HD +ATOM 6179 C ILE B 112 172.989 223.080 206.377 1.00 0.00 0.243 C +ATOM 6180 O ILE B 112 173.182 222.272 207.286 1.00 0.00 -0.272 OA +ATOM 6181 CA ILE B 112 174.149 223.868 205.783 1.00 0.00 0.174 C +ATOM 6182 N ILE B 112 174.132 223.791 204.329 1.00 0.00 -0.343 N +ATOM 6183 CB ILE B 112 174.086 225.329 206.266 1.00 0.00 0.018 C +ATOM 6184 CG2 ILE B 112 173.891 225.397 207.784 1.00 0.00 0.010 C +ATOM 6185 CG1 ILE B 112 175.368 226.065 205.865 1.00 0.00 0.002 C +ATOM 6186 CD1 ILE B 112 175.318 227.561 206.083 1.00 0.00 0.004 C +ATOM 6187 H ILE B 112 173.958 224.539 203.942 1.00 0.00 0.164 HD +ATOM 6188 C MET B 113 170.759 221.126 206.157 1.00 0.00 0.242 C +ATOM 6189 O MET B 113 170.417 220.333 207.029 1.00 0.00 -0.272 OA +ATOM 6190 CA MET B 113 170.605 222.626 206.361 1.00 0.00 0.172 C +ATOM 6191 N MET B 113 171.785 223.322 205.869 1.00 0.00 -0.344 N +ATOM 6192 CB MET B 113 169.342 223.122 205.657 1.00 0.00 0.046 C +ATOM 6193 CG MET B 113 168.060 222.536 206.229 1.00 0.00 0.072 C +ATOM 6194 SD MET B 113 167.756 223.103 207.911 1.00 0.00 -0.165 SA +ATOM 6195 CE MET B 113 166.810 221.733 208.573 1.00 0.00 0.085 C +ATOM 6196 H MET B 113 171.626 223.885 205.238 1.00 0.00 0.164 HD +ATOM 6197 C SER B 114 172.489 218.730 205.706 1.00 0.00 0.244 C +ATOM 6198 O SER B 114 172.315 217.588 206.131 1.00 0.00 -0.272 OA +ATOM 6199 CA SER B 114 171.521 219.342 204.697 1.00 0.00 0.197 C +ATOM 6200 N SER B 114 171.276 220.744 204.997 1.00 0.00 -0.342 N +ATOM 6201 CB SER B 114 172.070 219.188 203.282 1.00 0.00 0.191 C +ATOM 6202 OG SER B 114 172.424 217.843 203.024 1.00 0.00 -0.392 OA +ATOM 6203 HG SER B 114 172.725 217.770 202.243 1.00 0.00 0.210 HD +ATOM 6204 H SER B 114 171.496 221.282 204.362 1.00 0.00 0.164 HD +ATOM 6205 C TYR B 115 173.854 218.881 208.447 1.00 0.00 0.243 C +ATOM 6206 O TYR B 115 174.136 217.923 209.166 1.00 0.00 -0.272 OA +ATOM 6207 CA TYR B 115 174.475 219.020 207.065 1.00 0.00 0.175 C +ATOM 6208 N TYR B 115 173.502 219.497 206.093 1.00 0.00 -0.343 N +ATOM 6209 CB TYR B 115 175.680 219.956 207.147 1.00 0.00 0.070 C +ATOM 6210 CG TYR B 115 176.586 219.599 208.297 1.00 0.00 -0.045 A +ATOM 6211 CD1 TYR B 115 177.459 218.525 208.204 1.00 0.00 0.007 A +ATOM 6212 CD2 TYR B 115 176.548 220.314 209.486 1.00 0.00 0.007 A +ATOM 6213 CE1 TYR B 115 178.280 218.181 209.257 1.00 0.00 0.046 A +ATOM 6214 CE2 TYR B 115 177.367 219.978 210.545 1.00 0.00 0.046 A +ATOM 6215 CZ TYR B 115 178.230 218.911 210.425 1.00 0.00 0.115 A +ATOM 6216 OH TYR B 115 179.050 218.570 211.477 1.00 0.00 -0.507 OA +ATOM 6217 HH TYR B 115 178.920 219.091 212.123 1.00 0.00 0.294 HD +ATOM 6218 H TYR B 115 173.647 220.295 205.808 1.00 0.00 0.164 HD +ATOM 6219 C VAL B 116 171.508 218.525 210.213 1.00 0.00 0.243 C +ATOM 6220 O VAL B 116 171.505 217.874 211.256 1.00 0.00 -0.272 OA +ATOM 6221 CA VAL B 116 172.323 219.806 210.098 1.00 0.00 0.173 C +ATOM 6222 N VAL B 116 173.028 219.850 208.823 1.00 0.00 -0.343 N +ATOM 6223 CB VAL B 116 171.397 221.031 210.271 1.00 0.00 0.015 C +ATOM 6224 CG1 VAL B 116 170.372 220.809 211.390 1.00 0.00 0.010 C +ATOM 6225 CG2 VAL B 116 172.223 222.278 210.546 1.00 0.00 0.010 C +ATOM 6226 H VAL B 116 172.857 220.550 208.353 1.00 0.00 0.164 HD +ATOM 6227 C LEU B 117 170.710 215.688 209.273 1.00 0.00 0.243 C +ATOM 6228 O LEU B 117 170.365 214.848 210.099 1.00 0.00 -0.272 OA +ATOM 6229 CA LEU B 117 169.942 217.002 209.143 1.00 0.00 0.172 C +ATOM 6230 N LEU B 117 170.822 218.163 209.135 1.00 0.00 -0.345 N +ATOM 6231 CB LEU B 117 169.088 216.977 207.874 1.00 0.00 0.038 C +ATOM 6232 CG LEU B 117 168.081 218.122 207.729 1.00 0.00 -0.015 C +ATOM 6233 CD1 LEU B 117 167.444 218.081 206.352 1.00 0.00 0.007 C +ATOM 6234 CD2 LEU B 117 167.020 218.067 208.821 1.00 0.00 0.007 C +ATOM 6235 H LEU B 117 170.849 218.577 208.381 1.00 0.00 0.165 HD +ATOM 6236 C THR B 118 173.361 214.065 209.676 1.00 0.00 0.245 C +ATOM 6237 O THR B 118 173.473 212.955 210.195 1.00 0.00 -0.273 OA +ATOM 6238 CA THR B 118 172.482 214.253 208.440 1.00 0.00 0.199 C +ATOM 6239 N THR B 118 171.746 215.513 208.463 1.00 0.00 -0.341 N +ATOM 6240 CB THR B 118 173.367 214.144 207.189 1.00 0.00 0.143 C +ATOM 6241 CG2 THR B 118 172.511 213.996 205.939 1.00 0.00 0.041 C +ATOM 6242 OG1 THR B 118 174.183 215.315 207.074 1.00 0.00 -0.389 OA +ATOM 6243 HG1 THR B 118 174.669 215.261 206.391 1.00 0.00 0.211 HD +ATOM 6244 H THR B 118 172.045 216.106 207.916 1.00 0.00 0.164 HD +ATOM 6245 C SER B 119 174.109 214.690 212.569 1.00 0.00 0.244 C +ATOM 6246 O SER B 119 174.540 213.828 213.334 1.00 0.00 -0.272 OA +ATOM 6247 CA SER B 119 174.875 215.057 211.297 1.00 0.00 0.197 C +ATOM 6248 N SER B 119 173.979 215.144 210.148 1.00 0.00 -0.342 N +ATOM 6249 CB SER B 119 175.634 216.374 211.493 1.00 0.00 0.191 C +ATOM 6250 OG SER B 119 174.793 217.403 211.985 1.00 0.00 -0.392 OA +ATOM 6251 HG SER B 119 174.166 217.544 211.444 1.00 0.00 0.210 HD +ATOM 6252 H SER B 119 173.897 215.935 209.823 1.00 0.00 0.164 HD +ATOM 6253 C ARG B 120 171.513 213.678 213.876 1.00 0.00 0.242 C +ATOM 6254 O ARG B 120 171.410 212.959 214.867 1.00 0.00 -0.273 OA +ATOM 6255 CA ARG B 120 172.160 215.058 213.974 1.00 0.00 0.171 C +ATOM 6256 N ARG B 120 172.970 215.337 212.792 1.00 0.00 -0.344 N +ATOM 6257 CB ARG B 120 171.083 216.127 214.156 1.00 0.00 0.038 C +ATOM 6258 CG ARG B 120 171.610 217.553 214.268 1.00 0.00 0.040 C +ATOM 6259 CD ARG B 120 171.855 217.973 215.708 1.00 0.00 0.197 C +ATOM 6260 NE ARG B 120 171.892 219.427 215.846 1.00 0.00 -0.278 N +ATOM 6261 HE ARG B 120 171.770 219.900 215.138 1.00 0.00 0.260 HD +ATOM 6262 CZ ARG B 120 172.103 220.069 216.990 1.00 0.00 0.339 C +ATOM 6263 NH1 ARG B 120 172.303 219.391 218.111 1.00 0.00 -0.290 N +ATOM 6264 NH2 ARG B 120 172.116 221.393 217.016 1.00 0.00 -0.290 N +ATOM 6265 HH12 ARG B 120 172.296 218.531 218.101 1.00 0.00 0.256 HD +ATOM 6266 HH11 ARG B 120 172.440 219.811 218.849 1.00 0.00 0.256 HD +ATOM 6267 HH22 ARG B 120 171.987 221.838 216.291 1.00 0.00 0.256 HD +ATOM 6268 HH21 ARG B 120 172.254 221.808 217.756 1.00 0.00 0.256 HD +ATOM 6269 H ARG B 120 172.644 215.941 212.274 1.00 0.00 0.164 HD +ATOM 6270 C SER B 121 171.289 210.830 212.749 1.00 0.00 0.244 C +ATOM 6271 O SER B 121 170.791 209.783 213.154 1.00 0.00 -0.272 OA +ATOM 6272 CA SER B 121 170.404 212.039 212.457 1.00 0.00 0.197 C +ATOM 6273 N SER B 121 171.088 213.309 212.673 1.00 0.00 -0.342 N +ATOM 6274 CB SER B 121 169.889 211.956 211.020 1.00 0.00 0.191 C +ATOM 6275 OG SER B 121 168.797 212.838 210.819 1.00 0.00 -0.392 OA +ATOM 6276 HG SER B 121 169.035 213.629 210.970 1.00 0.00 0.210 HD +ATOM 6277 H SER B 121 171.184 213.780 211.960 1.00 0.00 0.164 HD +ATOM 6278 C HIS B 122 173.559 209.433 214.224 1.00 0.00 0.242 C +ATOM 6279 O HIS B 122 174.060 208.355 214.537 1.00 0.00 -0.272 OA +ATOM 6280 CA HIS B 122 173.537 209.881 212.765 1.00 0.00 0.177 C +ATOM 6281 N HIS B 122 172.595 210.975 212.535 1.00 0.00 -0.343 N +ATOM 6282 CB HIS B 122 174.951 210.290 212.345 1.00 0.00 0.093 C +ATOM 6283 CG HIS B 122 175.157 210.345 210.863 1.00 0.00 0.061 A +ATOM 6284 ND1 HIS B 122 176.262 210.934 210.289 1.00 0.00 -0.242 NA +ATOM 6285 CD2 HIS B 122 174.405 209.880 209.838 1.00 0.00 0.107 A +ATOM 6286 CE1 HIS B 122 176.180 210.834 208.974 1.00 0.00 0.196 A +ATOM 6287 NE2 HIS B 122 175.062 210.198 208.674 1.00 0.00 -0.350 N +ATOM 6288 HE2 HIS B 122 174.790 210.013 207.880 1.00 0.00 0.167 HD +ATOM 6289 H HIS B 122 172.963 211.700 212.255 1.00 0.00 0.164 HD +ATOM 6290 C LEU B 123 171.913 209.027 216.943 1.00 0.00 0.243 C +ATOM 6291 O LEU B 123 171.886 208.529 218.065 1.00 0.00 -0.272 OA +ATOM 6292 CA LEU B 123 173.038 209.969 216.541 1.00 0.00 0.172 C +ATOM 6293 N LEU B 123 173.027 210.265 215.112 1.00 0.00 -0.345 N +ATOM 6294 CB LEU B 123 172.939 211.264 217.347 1.00 0.00 0.038 C +ATOM 6295 CG LEU B 123 174.202 212.124 217.376 1.00 0.00 -0.015 C +ATOM 6296 CD1 LEU B 123 173.903 213.481 217.991 1.00 0.00 0.007 C +ATOM 6297 CD2 LEU B 123 175.299 211.419 218.147 1.00 0.00 0.007 C +ATOM 6298 H LEU B 123 172.650 211.012 214.911 1.00 0.00 0.165 HD +ATOM 6299 C ILE B 124 170.006 206.604 215.535 1.00 0.00 0.243 C +ATOM 6300 O ILE B 124 170.291 206.587 214.340 1.00 0.00 -0.272 OA +ATOM 6301 CA ILE B 124 169.847 207.920 216.278 1.00 0.00 0.174 C +ATOM 6302 N ILE B 124 170.987 208.788 216.023 1.00 0.00 -0.343 N +ATOM 6303 CB ILE B 124 168.530 208.590 215.852 1.00 0.00 0.018 C +ATOM 6304 CG2 ILE B 124 167.330 207.701 216.195 1.00 0.00 0.010 C +ATOM 6305 CG1 ILE B 124 168.401 209.970 216.506 1.00 0.00 0.002 C +ATOM 6306 CD1 ILE B 124 168.436 209.948 218.019 1.00 0.00 0.004 C +ATOM 6307 H ILE B 124 170.998 209.122 215.230 1.00 0.00 0.164 HD +ATOM 6308 C ASP B 125 168.497 203.942 214.933 1.00 0.00 0.242 C +ATOM 6309 O ASP B 125 167.442 204.016 215.560 1.00 0.00 -0.273 OA +ATOM 6310 CA ASP B 125 169.835 204.185 215.621 1.00 0.00 0.176 C +ATOM 6311 N ASP B 125 169.831 205.497 216.250 1.00 0.00 -0.343 N +ATOM 6312 CB ASP B 125 170.121 203.085 216.647 1.00 0.00 0.087 C +ATOM 6313 CG ASP B 125 171.587 203.021 217.040 1.00 0.00 0.044 C +ATOM 6314 OD1 ASP B 125 172.438 203.482 216.248 1.00 0.00 -0.548 OA +ATOM 6315 OD2 ASP B 125 171.889 202.505 218.135 1.00 0.00 -0.549 OA +ATOM 6316 H ASP B 125 169.708 205.481 217.101 1.00 0.00 0.164 HD +ATOM 6317 C SER B 126 167.636 202.422 211.742 1.00 0.00 0.244 C +ATOM 6318 O SER B 126 168.495 202.636 210.893 1.00 0.00 -0.272 OA +ATOM 6319 CA SER B 126 167.368 203.463 212.829 1.00 0.00 0.197 C +ATOM 6320 N SER B 126 168.559 203.644 213.642 1.00 0.00 -0.342 N +ATOM 6321 CB SER B 126 166.946 204.795 212.206 1.00 0.00 0.191 C +ATOM 6322 OG SER B 126 165.744 204.664 211.465 1.00 0.00 -0.392 OA +ATOM 6323 HG SER B 126 165.124 204.401 211.968 1.00 0.00 0.210 HD +ATOM 6324 H SER B 126 169.294 203.539 213.207 1.00 0.00 0.164 HD +ATOM 6325 C PRO B 127 166.304 200.797 214.143 1.00 0.00 0.243 C +ATOM 6326 O PRO B 127 167.496 200.645 214.417 1.00 0.00 -0.271 OA +ATOM 6327 CA PRO B 127 165.852 200.868 212.682 1.00 0.00 0.175 C +ATOM 6328 N PRO B 127 166.914 201.288 211.756 1.00 0.00 -0.329 N +ATOM 6329 CB PRO B 127 165.459 199.477 212.163 1.00 0.00 0.037 C +ATOM 6330 CG PRO B 127 166.549 199.066 211.244 1.00 0.00 0.024 C +ATOM 6331 CD PRO B 127 167.092 200.316 210.665 1.00 0.00 0.121 C +ATOM 6332 C PRO B 128 166.161 199.798 217.152 1.00 0.00 0.243 C +ATOM 6333 O PRO B 128 166.137 198.733 216.537 1.00 0.00 -0.271 OA +ATOM 6334 CA PRO B 128 165.607 201.061 216.506 1.00 0.00 0.175 C +ATOM 6335 N PRO B 128 165.345 200.905 215.074 1.00 0.00 -0.329 N +ATOM 6336 CB PRO B 128 164.231 201.400 217.067 1.00 0.00 0.037 C +ATOM 6337 CG PRO B 128 163.295 200.692 216.171 1.00 0.00 0.024 C +ATOM 6338 CD PRO B 128 163.905 200.745 214.802 1.00 0.00 0.121 C +ATOM 6339 C THR B 129 166.642 198.444 220.391 1.00 0.00 0.245 C +ATOM 6340 O THR B 129 165.781 197.572 220.417 1.00 0.00 -0.273 OA +ATOM 6341 CA THR B 129 167.313 198.823 219.065 1.00 0.00 0.199 C +ATOM 6342 N THR B 129 166.634 199.922 218.388 1.00 0.00 -0.341 N +ATOM 6343 CB THR B 129 168.794 199.173 219.305 1.00 0.00 0.143 C +ATOM 6344 CG2 THR B 129 169.514 199.336 217.973 1.00 0.00 0.041 C +ATOM 6345 OG1 THR B 129 168.894 200.399 220.038 1.00 0.00 -0.389 OA +ATOM 6346 HG1 THR B 129 169.702 200.590 220.169 1.00 0.00 0.211 HD +ATOM 6347 H THR B 129 166.574 200.639 218.860 1.00 0.00 0.164 HD +ATOM 6348 C TYR B 130 165.217 199.246 223.199 1.00 0.00 0.243 C +ATOM 6349 O TYR B 130 164.752 200.230 222.630 1.00 0.00 -0.272 OA +ATOM 6350 CA TYR B 130 166.586 198.688 222.810 1.00 0.00 0.175 C +ATOM 6351 N TYR B 130 167.028 199.099 221.481 1.00 0.00 -0.343 N +ATOM 6352 CB TYR B 130 167.608 199.125 223.863 1.00 0.00 0.070 C +ATOM 6353 CG TYR B 130 169.045 198.795 223.530 1.00 0.00 -0.045 A +ATOM 6354 CD1 TYR B 130 169.518 197.492 223.610 1.00 0.00 0.007 A +ATOM 6355 CD2 TYR B 130 169.936 199.791 223.152 1.00 0.00 0.007 A +ATOM 6356 CE1 TYR B 130 170.829 197.189 223.312 1.00 0.00 0.046 A +ATOM 6357 CE2 TYR B 130 171.255 199.496 222.854 1.00 0.00 0.046 A +ATOM 6358 CZ TYR B 130 171.693 198.194 222.936 1.00 0.00 0.115 A +ATOM 6359 OH TYR B 130 172.999 197.890 222.642 1.00 0.00 -0.507 OA +ATOM 6360 HH TYR B 130 173.415 198.588 222.428 1.00 0.00 0.294 HD +ATOM 6361 H TYR B 130 167.547 199.785 221.479 1.00 0.00 0.164 HD +ATOM 6362 C ASN B 131 163.598 198.886 226.375 1.00 0.00 0.242 C +ATOM 6363 O ASN B 131 164.641 198.395 226.806 1.00 0.00 -0.273 OA +ATOM 6364 CA ASN B 131 163.454 199.191 224.885 1.00 0.00 0.180 C +ATOM 6365 N ASN B 131 164.578 198.596 224.168 1.00 0.00 -0.342 N +ATOM 6366 CB ASN B 131 162.104 198.704 224.334 1.00 0.00 0.134 C +ATOM 6367 CG ASN B 131 161.868 197.211 224.522 1.00 0.00 0.220 C +ATOM 6368 OD1 ASN B 131 162.311 196.598 225.493 1.00 0.00 -0.275 OA +ATOM 6369 ND2 ASN B 131 161.138 196.624 223.587 1.00 0.00 -0.368 N +ATOM 6370 HD22 ASN B 131 160.970 195.783 223.638 1.00 0.00 0.159 HD +ATOM 6371 HD21 ASN B 131 160.831 197.085 222.929 1.00 0.00 0.159 HD +ATOM 6372 H ASN B 131 164.779 197.803 224.431 1.00 0.00 0.164 HD +ATOM 6373 C ALA B 132 162.961 197.639 229.080 1.00 0.00 0.243 C +ATOM 6374 O ALA B 132 163.565 197.460 230.132 1.00 0.00 -0.272 OA +ATOM 6375 CA ALA B 132 162.633 199.055 228.611 1.00 0.00 0.168 C +ATOM 6376 N ALA B 132 162.561 199.176 227.155 1.00 0.00 -0.344 N +ATOM 6377 CB ALA B 132 161.323 199.510 229.240 1.00 0.00 0.041 C +ATOM 6378 H ALA B 132 161.798 199.447 226.865 1.00 0.00 0.164 HD +ATOM 6379 C ASP B 133 163.920 194.536 228.112 1.00 0.00 0.242 C +ATOM 6380 O ASP B 133 164.176 193.382 228.437 1.00 0.00 -0.273 OA +ATOM 6381 CA ASP B 133 162.708 195.247 228.716 1.00 0.00 0.176 C +ATOM 6382 N ASP B 133 162.566 196.640 228.300 1.00 0.00 -0.343 N +ATOM 6383 CB ASP B 133 161.436 194.467 228.363 1.00 0.00 0.087 C +ATOM 6384 CG ASP B 133 160.302 194.725 229.341 1.00 0.00 0.044 C +ATOM 6385 OD1 ASP B 133 160.577 195.091 230.499 1.00 0.00 -0.548 OA +ATOM 6386 OD2 ASP B 133 159.131 194.553 228.955 1.00 0.00 -0.549 OA +ATOM 6387 H ASP B 133 162.212 196.741 227.523 1.00 0.00 0.164 HD +ATOM 6388 C TYR B 134 167.034 195.498 226.517 1.00 0.00 0.243 C +ATOM 6389 O TYR B 134 167.031 196.497 225.806 1.00 0.00 -0.272 OA +ATOM 6390 CA TYR B 134 165.814 194.589 226.595 1.00 0.00 0.175 C +ATOM 6391 N TYR B 134 164.670 195.217 227.252 1.00 0.00 -0.343 N +ATOM 6392 CB TYR B 134 165.415 194.123 225.194 1.00 0.00 0.070 C +ATOM 6393 CG TYR B 134 164.403 193.005 225.229 1.00 0.00 -0.045 A +ATOM 6394 CD1 TYR B 134 164.808 191.683 225.334 1.00 0.00 0.007 A +ATOM 6395 CD2 TYR B 134 163.042 193.270 225.183 1.00 0.00 0.007 A +ATOM 6396 CE1 TYR B 134 163.889 190.659 225.375 1.00 0.00 0.046 A +ATOM 6397 CE2 TYR B 134 162.117 192.253 225.228 1.00 0.00 0.046 A +ATOM 6398 CZ TYR B 134 162.544 190.949 225.324 1.00 0.00 0.115 A +ATOM 6399 OH TYR B 134 161.618 189.936 225.371 1.00 0.00 -0.507 OA +ATOM 6400 HH TYR B 134 162.006 189.194 225.430 1.00 0.00 0.294 HD +ATOM 6401 H TYR B 134 164.540 196.038 227.031 1.00 0.00 0.164 HD +ATOM 6402 C GLY B 135 170.286 195.201 226.210 1.00 0.00 0.239 C +ATOM 6403 O GLY B 135 171.471 195.525 226.153 1.00 0.00 -0.273 OA +ATOM 6404 CA GLY B 135 169.346 195.828 227.223 1.00 0.00 0.216 C +ATOM 6405 N GLY B 135 168.074 195.131 227.262 1.00 0.00 -0.346 N +ATOM 6406 H GLY B 135 168.062 194.466 227.808 1.00 0.00 0.164 HD +ATOM 6407 C TYR B 136 169.552 193.644 223.107 1.00 0.00 0.243 C +ATOM 6408 O TYR B 136 168.333 193.646 223.263 1.00 0.00 -0.272 OA +ATOM 6409 CA TYR B 136 170.473 193.671 224.316 1.00 0.00 0.175 C +ATOM 6410 N TYR B 136 169.745 194.284 225.418 1.00 0.00 -0.343 N +ATOM 6411 CB TYR B 136 170.938 192.258 224.680 1.00 0.00 0.070 C +ATOM 6412 CG TYR B 136 169.824 191.359 225.158 1.00 0.00 -0.045 A +ATOM 6413 CD1 TYR B 136 169.471 191.311 226.499 1.00 0.00 0.007 A +ATOM 6414 CD2 TYR B 136 169.118 190.563 224.269 1.00 0.00 0.007 A +ATOM 6415 CE1 TYR B 136 168.450 190.495 226.939 1.00 0.00 0.046 A +ATOM 6416 CE2 TYR B 136 168.096 189.745 224.702 1.00 0.00 0.046 A +ATOM 6417 CZ TYR B 136 167.767 189.715 226.039 1.00 0.00 0.115 A +ATOM 6418 OH TYR B 136 166.750 188.903 226.480 1.00 0.00 -0.507 OA +ATOM 6419 HH TYR B 136 166.417 188.483 225.833 1.00 0.00 0.294 HD +ATOM 6420 H TYR B 136 168.940 193.994 225.501 1.00 0.00 0.164 HD +ATOM 6421 C LYS B 137 168.528 192.282 220.669 1.00 0.00 0.242 C +ATOM 6422 O LYS B 137 169.051 191.207 220.964 1.00 0.00 -0.273 OA +ATOM 6423 CA LYS B 137 169.330 193.574 220.694 1.00 0.00 0.171 C +ATOM 6424 N LYS B 137 170.129 193.644 221.912 1.00 0.00 -0.344 N +ATOM 6425 CB LYS B 137 170.211 193.660 219.444 1.00 0.00 0.035 C +ATOM 6426 CG LYS B 137 170.580 195.070 219.009 1.00 0.00 0.008 C +ATOM 6427 CD LYS B 137 171.790 195.586 219.746 1.00 0.00 0.061 C +ATOM 6428 CE LYS B 137 172.440 196.737 219.003 1.00 0.00 0.258 C +ATOM 6429 NZ LYS B 137 173.672 197.187 219.699 1.00 0.00 -0.357 N +ATOM 6430 HZ1 LYS B 137 174.044 197.862 219.254 1.00 0.00 0.345 HD +ATOM 6431 HZ2 LYS B 137 173.474 197.458 220.523 1.00 0.00 0.345 HD +ATOM 6432 HZ3 LYS B 137 174.256 196.516 219.748 1.00 0.00 0.345 HD +ATOM 6433 H LYS B 137 170.977 193.685 221.778 1.00 0.00 0.164 HD +ATOM 6434 C SER B 138 165.248 191.544 219.236 1.00 0.00 0.244 C +ATOM 6435 O SER B 138 164.929 192.707 218.977 1.00 0.00 -0.272 OA +ATOM 6436 CA SER B 138 166.375 191.246 220.211 1.00 0.00 0.197 C +ATOM 6437 N SER B 138 167.253 192.398 220.321 1.00 0.00 -0.342 N +ATOM 6438 CB SER B 138 165.803 190.872 221.574 1.00 0.00 0.191 C +ATOM 6439 OG SER B 138 164.994 191.915 222.075 1.00 0.00 -0.392 OA +ATOM 6440 HG SER B 138 164.682 191.702 222.825 1.00 0.00 0.210 HD +ATOM 6441 H SER B 138 166.869 193.146 220.141 1.00 0.00 0.164 HD +ATOM 6442 C TRP B 139 162.311 191.239 218.451 1.00 0.00 0.242 C +ATOM 6443 O TRP B 139 161.523 191.951 217.832 1.00 0.00 -0.272 OA +ATOM 6444 CA TRP B 139 163.550 190.678 217.762 1.00 0.00 0.175 C +ATOM 6445 N TRP B 139 164.638 190.494 218.703 1.00 0.00 -0.343 N +ATOM 6446 CB TRP B 139 163.199 189.370 217.060 1.00 0.00 0.072 C +ATOM 6447 CG TRP B 139 162.351 189.631 215.872 1.00 0.00 -0.020 A +ATOM 6448 CD1 TRP B 139 160.994 189.529 215.791 1.00 0.00 0.087 A +ATOM 6449 CD2 TRP B 139 162.797 190.089 214.595 1.00 0.00 0.003 A +ATOM 6450 NE1 TRP B 139 160.569 189.880 214.535 1.00 0.00 -0.359 N +ATOM 6451 CE2 TRP B 139 161.658 190.228 213.781 1.00 0.00 0.046 A +ATOM 6452 CE3 TRP B 139 164.052 190.388 214.059 1.00 0.00 0.010 A +ATOM 6453 HE1 TRP B 139 159.752 189.881 214.265 1.00 0.00 0.166 HD +ATOM 6454 CZ2 TRP B 139 161.736 190.652 212.460 1.00 0.00 0.026 A +ATOM 6455 CZ3 TRP B 139 164.128 190.803 212.749 1.00 0.00 0.001 A +ATOM 6456 CH2 TRP B 139 162.977 190.933 211.963 1.00 0.00 0.002 A +ATOM 6457 H TRP B 139 164.834 189.673 218.868 1.00 0.00 0.164 HD +ATOM 6458 C GLU B 140 161.154 192.968 220.608 1.00 0.00 0.242 C +ATOM 6459 O GLU B 140 160.191 193.701 220.398 1.00 0.00 -0.273 OA +ATOM 6460 CA GLU B 140 161.020 191.453 220.494 1.00 0.00 0.171 C +ATOM 6461 N GLU B 140 162.134 190.913 219.727 1.00 0.00 -0.344 N +ATOM 6462 CB GLU B 140 160.955 190.817 221.885 1.00 0.00 0.041 C +ATOM 6463 CG GLU B 140 159.771 191.268 222.736 1.00 0.00 0.055 C +ATOM 6464 CD GLU B 140 158.431 190.791 222.204 1.00 0.00 0.041 C +ATOM 6465 OE1 GLU B 140 158.391 189.772 221.484 1.00 0.00 -0.548 OA +ATOM 6466 OE2 GLU B 140 157.409 191.439 222.507 1.00 0.00 -0.549 OA +ATOM 6467 H GLU B 140 162.645 190.382 220.171 1.00 0.00 0.164 HD +ATOM 6468 C ALA B 141 162.465 195.607 219.788 1.00 0.00 0.243 C +ATOM 6469 O ALA B 141 161.992 196.743 219.768 1.00 0.00 -0.272 OA +ATOM 6470 CA ALA B 141 162.603 194.852 221.105 1.00 0.00 0.168 C +ATOM 6471 N ALA B 141 162.356 193.429 220.934 1.00 0.00 -0.344 N +ATOM 6472 CB ALA B 141 163.981 195.083 221.702 1.00 0.00 0.041 C +ATOM 6473 H ALA B 141 163.048 192.934 221.062 1.00 0.00 0.164 HD +ATOM 6474 C PHE B 142 161.307 195.603 216.863 1.00 0.00 0.243 C +ATOM 6475 O PHE B 142 160.812 196.615 216.372 1.00 0.00 -0.272 OA +ATOM 6476 CA PHE B 142 162.740 195.616 217.385 1.00 0.00 0.175 C +ATOM 6477 N PHE B 142 162.875 194.982 218.690 1.00 0.00 -0.343 N +ATOM 6478 CB PHE B 142 163.628 194.944 216.339 1.00 0.00 0.070 C +ATOM 6479 CG PHE B 142 163.149 195.168 214.939 1.00 0.00 -0.045 A +ATOM 6480 CD1 PHE B 142 163.307 196.402 214.332 1.00 0.00 0.004 A +ATOM 6481 CD2 PHE B 142 162.500 194.165 214.245 1.00 0.00 0.004 A +ATOM 6482 CE1 PHE B 142 162.844 196.623 213.053 1.00 0.00 0.000 A +ATOM 6483 CE2 PHE B 142 162.038 194.382 212.966 1.00 0.00 0.000 A +ATOM 6484 CZ PHE B 142 162.208 195.613 212.370 1.00 0.00 0.000 A +ATOM 6485 H PHE B 142 163.231 194.200 218.672 1.00 0.00 0.164 HD +ATOM 6486 C SER B 143 158.149 194.746 216.953 1.00 0.00 0.244 C +ATOM 6487 O SER B 143 157.147 195.035 216.309 1.00 0.00 -0.272 OA +ATOM 6488 CA SER B 143 159.398 194.234 216.235 1.00 0.00 0.197 C +ATOM 6489 N SER B 143 160.649 194.453 216.957 1.00 0.00 -0.342 N +ATOM 6490 CB SER B 143 159.223 192.743 215.940 1.00 0.00 0.191 C +ATOM 6491 OG SER B 143 158.925 192.018 217.118 1.00 0.00 -0.392 OA +ATOM 6492 HG SER B 143 159.549 192.105 217.674 1.00 0.00 0.210 HD +ATOM 6493 H SER B 143 160.905 193.783 217.431 1.00 0.00 0.164 HD +ATOM 6494 C ASN B 144 156.833 196.715 219.130 1.00 0.00 0.242 C +ATOM 6495 O ASN B 144 157.536 197.411 219.860 1.00 0.00 -0.273 OA +ATOM 6496 CA ASN B 144 157.024 195.201 219.061 1.00 0.00 0.180 C +ATOM 6497 N ASN B 144 158.205 194.850 218.276 1.00 0.00 -0.342 N +ATOM 6498 CB ASN B 144 157.132 194.602 220.466 1.00 0.00 0.134 C +ATOM 6499 CG ASN B 144 155.818 194.653 221.239 1.00 0.00 0.220 C +ATOM 6500 OD1 ASN B 144 154.978 195.524 221.020 1.00 0.00 -0.275 OA +ATOM 6501 ND2 ASN B 144 155.644 193.706 222.154 1.00 0.00 -0.368 N +ATOM 6502 HD22 ASN B 144 156.265 193.124 222.278 1.00 0.00 0.159 HD +ATOM 6503 HD21 ASN B 144 154.776 193.669 222.708 1.00 0.00 0.159 HD +ATOM 6504 H ASN B 144 158.914 194.722 218.745 1.00 0.00 0.164 HD +ATOM 6505 C LEU B 145 154.965 199.292 219.412 1.00 0.00 0.243 C +ATOM 6506 O LEU B 145 154.847 200.513 219.480 1.00 0.00 -0.272 OA +ATOM 6507 CA LEU B 145 155.658 198.647 218.208 1.00 0.00 0.172 C +ATOM 6508 N LEU B 145 155.867 197.211 218.364 1.00 0.00 -0.345 N +ATOM 6509 CB LEU B 145 154.840 198.917 216.945 1.00 0.00 0.038 C +ATOM 6510 CG LEU B 145 155.433 198.424 215.620 1.00 0.00 -0.015 C +ATOM 6511 CD1 LEU B 145 154.424 198.587 214.492 1.00 0.00 0.007 C +ATOM 6512 CD2 LEU B 145 156.719 199.161 215.288 1.00 0.00 0.007 C +ATOM 6513 H LEU B 145 155.311 196.730 217.917 1.00 0.00 0.165 HD +ATOM 6514 C SER B 146 154.785 199.637 222.518 1.00 0.00 0.244 C +ATOM 6515 O SER B 146 154.377 200.416 223.372 1.00 0.00 -0.272 OA +ATOM 6516 CA SER B 146 153.816 199.003 221.527 1.00 0.00 0.197 C +ATOM 6517 N SER B 146 154.515 198.478 220.361 1.00 0.00 -0.342 N +ATOM 6518 CB SER B 146 153.011 197.899 222.215 1.00 0.00 0.191 C +ATOM 6519 OG SER B 146 151.904 197.516 221.420 1.00 0.00 -0.392 OA +ATOM 6520 HG SER B 146 151.470 196.910 221.806 1.00 0.00 0.210 HD +ATOM 6521 H SER B 146 154.600 197.623 220.353 1.00 0.00 0.164 HD +ATOM 6522 C TYR B 147 157.593 201.217 222.704 1.00 0.00 0.243 C +ATOM 6523 O TYR B 147 157.744 201.381 221.495 1.00 0.00 -0.272 OA +ATOM 6524 CA TYR B 147 157.104 199.881 223.244 1.00 0.00 0.175 C +ATOM 6525 N TYR B 147 156.064 199.292 222.406 1.00 0.00 -0.343 N +ATOM 6526 CB TYR B 147 158.324 198.962 223.338 1.00 0.00 0.070 C +ATOM 6527 CG TYR B 147 158.208 197.723 224.194 1.00 0.00 -0.045 A +ATOM 6528 CD1 TYR B 147 158.678 197.715 225.500 1.00 0.00 0.007 A +ATOM 6529 CD2 TYR B 147 157.688 196.545 223.679 1.00 0.00 0.007 A +ATOM 6530 CE1 TYR B 147 158.604 196.574 226.280 1.00 0.00 0.046 A +ATOM 6531 CE2 TYR B 147 157.609 195.401 224.451 1.00 0.00 0.046 A +ATOM 6532 CZ TYR B 147 158.071 195.421 225.751 1.00 0.00 0.115 A +ATOM 6533 OH TYR B 147 157.998 194.285 226.524 1.00 0.00 -0.507 OA +ATOM 6534 HH TYR B 147 158.311 194.438 227.289 1.00 0.00 0.294 HD +ATOM 6535 H TYR B 147 156.359 198.712 221.844 1.00 0.00 0.164 HD +ATOM 6536 C TYR B 148 160.167 202.570 223.130 1.00 0.00 0.243 C +ATOM 6537 O TYR B 148 160.497 201.649 223.877 1.00 0.00 -0.272 OA +ATOM 6538 CA TYR B 148 158.800 203.225 223.289 1.00 0.00 0.175 C +ATOM 6539 N TYR B 148 157.863 202.159 223.601 1.00 0.00 -0.343 N +ATOM 6540 CB TYR B 148 158.862 204.282 224.391 1.00 0.00 0.070 C +ATOM 6541 CG TYR B 148 157.675 205.210 224.488 1.00 0.00 -0.045 A +ATOM 6542 CD1 TYR B 148 157.367 206.093 223.463 1.00 0.00 0.007 A +ATOM 6543 CD2 TYR B 148 156.888 205.232 225.631 1.00 0.00 0.007 A +ATOM 6544 CE1 TYR B 148 156.292 206.952 223.565 1.00 0.00 0.046 A +ATOM 6545 CE2 TYR B 148 155.817 206.086 225.741 1.00 0.00 0.046 A +ATOM 6546 CZ TYR B 148 155.523 206.947 224.710 1.00 0.00 0.115 A +ATOM 6547 OH TYR B 148 154.449 207.797 224.827 1.00 0.00 -0.507 OA +ATOM 6548 HH TYR B 148 154.075 207.686 225.571 1.00 0.00 0.294 HD +ATOM 6549 H TYR B 148 157.521 202.202 224.388 1.00 0.00 0.164 HD +ATOM 6550 C THR B 149 163.253 203.269 222.951 1.00 0.00 0.245 C +ATOM 6551 O THR B 149 162.829 204.200 223.631 1.00 0.00 -0.273 OA +ATOM 6552 CA THR B 149 162.316 202.508 222.015 1.00 0.00 0.199 C +ATOM 6553 N THR B 149 160.962 203.029 222.171 1.00 0.00 -0.341 N +ATOM 6554 CB THR B 149 162.798 202.600 220.548 1.00 0.00 0.143 C +ATOM 6555 CG2 THR B 149 163.142 204.035 220.158 1.00 0.00 0.041 C +ATOM 6556 OG1 THR B 149 163.929 201.742 220.350 1.00 0.00 -0.389 OA +ATOM 6557 HG1 THR B 149 164.557 201.972 220.859 1.00 0.00 0.211 HD +ATOM 6558 H THR B 149 160.745 203.636 221.603 1.00 0.00 0.164 HD +ATOM 6559 C ARG B 150 166.817 203.763 223.269 1.00 0.00 0.242 C +ATOM 6560 O ARG B 150 167.386 202.956 222.535 1.00 0.00 -0.273 OA +ATOM 6561 CA ARG B 150 165.482 203.427 223.927 1.00 0.00 0.171 C +ATOM 6562 N ARG B 150 164.515 202.856 222.997 1.00 0.00 -0.344 N +ATOM 6563 CB ARG B 150 165.711 202.459 225.087 1.00 0.00 0.038 C +ATOM 6564 CG ARG B 150 164.541 202.372 226.042 1.00 0.00 0.040 C +ATOM 6565 CD ARG B 150 164.507 203.571 226.969 1.00 0.00 0.197 C +ATOM 6566 NE ARG B 150 165.484 203.438 228.045 1.00 0.00 -0.278 N +ATOM 6567 HE ARG B 150 166.262 203.784 227.925 1.00 0.00 0.260 HD +ATOM 6568 CZ ARG B 150 165.253 202.819 229.198 1.00 0.00 0.339 C +ATOM 6569 NH1 ARG B 150 164.070 202.272 229.445 1.00 0.00 -0.290 N +ATOM 6570 NH2 ARG B 150 166.209 202.745 230.112 1.00 0.00 -0.290 N +ATOM 6571 HH12 ARG B 150 163.445 202.315 228.855 1.00 0.00 0.256 HD +ATOM 6572 HH11 ARG B 150 163.928 201.874 230.194 1.00 0.00 0.256 HD +ATOM 6573 HH22 ARG B 150 166.977 203.099 229.959 1.00 0.00 0.256 HD +ATOM 6574 HH21 ARG B 150 166.059 202.348 230.860 1.00 0.00 0.256 HD +ATOM 6575 H ARG B 150 164.840 202.239 222.493 1.00 0.00 0.164 HD +ATOM 6576 C ALA B 151 169.719 204.767 223.799 1.00 0.00 0.243 C +ATOM 6577 O ALA B 151 170.745 204.398 223.226 1.00 0.00 -0.272 OA +ATOM 6578 CA ALA B 151 168.586 205.421 223.022 1.00 0.00 0.168 C +ATOM 6579 N ALA B 151 167.305 204.969 223.541 1.00 0.00 -0.344 N +ATOM 6580 CB ALA B 151 168.689 206.934 223.097 1.00 0.00 0.041 C +ATOM 6581 H ALA B 151 166.906 205.550 224.033 1.00 0.00 0.164 HD +ATOM 6582 C LEU B 152 169.687 202.687 226.558 1.00 0.00 0.243 C +ATOM 6583 O LEU B 152 168.531 202.825 226.957 1.00 0.00 -0.272 OA +ATOM 6584 CA LEU B 152 170.434 203.866 225.951 1.00 0.00 0.172 C +ATOM 6585 N LEU B 152 169.526 204.635 225.108 1.00 0.00 -0.345 N +ATOM 6586 CB LEU B 152 171.035 204.736 227.058 1.00 0.00 0.038 C +ATOM 6587 CG LEU B 152 172.259 205.588 226.704 1.00 0.00 -0.015 C +ATOM 6588 CD1 LEU B 152 172.667 206.438 227.898 1.00 0.00 0.007 C +ATOM 6589 CD2 LEU B 152 173.431 204.724 226.243 1.00 0.00 0.007 C +ATOM 6590 H LEU B 152 168.868 204.985 225.536 1.00 0.00 0.165 HD +ATOM 6591 C PRO B 153 169.339 200.536 228.674 1.00 0.00 0.243 C +ATOM 6592 O PRO B 153 170.011 201.323 229.340 1.00 0.00 -0.271 OA +ATOM 6593 CA PRO B 153 169.654 200.352 227.193 1.00 0.00 0.175 C +ATOM 6594 N PRO B 153 170.340 201.517 226.628 1.00 0.00 -0.329 N +ATOM 6595 CB PRO B 153 170.659 199.213 226.982 1.00 0.00 0.037 C +ATOM 6596 CG PRO B 153 171.986 199.885 226.872 1.00 0.00 0.024 C +ATOM 6597 CD PRO B 153 171.718 201.202 226.214 1.00 0.00 0.121 C +ATOM 6598 C PRO B 154 169.163 199.368 231.470 1.00 0.00 0.243 C +ATOM 6599 O PRO B 154 169.942 198.527 231.021 1.00 0.00 -0.271 OA +ATOM 6600 CA PRO B 154 168.015 199.877 230.616 1.00 0.00 0.175 C +ATOM 6601 N PRO B 154 168.322 199.824 229.184 1.00 0.00 -0.329 N +ATOM 6602 CB PRO B 154 166.791 198.964 230.751 1.00 0.00 0.037 C +ATOM 6603 CG PRO B 154 166.836 198.084 229.556 1.00 0.00 0.024 C +ATOM 6604 CD PRO B 154 167.405 198.927 228.464 1.00 0.00 0.121 C +ATOM 6605 C VAL B 155 169.837 197.932 233.975 1.00 0.00 0.243 C +ATOM 6606 O VAL B 155 168.660 197.662 234.203 1.00 0.00 -0.272 OA +ATOM 6607 CA VAL B 155 170.234 199.369 233.643 1.00 0.00 0.173 C +ATOM 6608 N VAL B 155 169.266 199.881 232.687 1.00 0.00 -0.343 N +ATOM 6609 CB VAL B 155 170.282 200.222 234.923 1.00 0.00 0.015 C +ATOM 6610 CG1 VAL B 155 171.362 199.715 235.866 1.00 0.00 0.010 C +ATOM 6611 CG2 VAL B 155 170.528 201.682 234.575 1.00 0.00 0.010 C +ATOM 6612 H VAL B 155 168.785 200.529 232.985 1.00 0.00 0.164 HD +ATOM 6613 C PRO B 156 169.768 195.465 235.664 1.00 0.00 0.243 C +ATOM 6614 O PRO B 156 169.994 196.275 236.562 1.00 0.00 -0.271 OA +ATOM 6615 CA PRO B 156 170.468 195.605 234.310 1.00 0.00 0.175 C +ATOM 6616 N PRO B 156 170.804 196.997 233.981 1.00 0.00 -0.329 N +ATOM 6617 CB PRO B 156 171.832 194.912 234.319 1.00 0.00 0.037 C +ATOM 6618 CG PRO B 156 172.662 195.722 233.393 1.00 0.00 0.024 C +ATOM 6619 CD PRO B 156 172.214 197.136 233.574 1.00 0.00 0.121 C +ATOM 6620 C ASP B 157 168.930 194.070 238.263 1.00 0.00 0.242 C +ATOM 6621 O ASP B 157 168.525 194.501 239.343 1.00 0.00 -0.273 OA +ATOM 6622 CA ASP B 157 168.105 194.264 236.991 1.00 0.00 0.176 C +ATOM 6623 N ASP B 157 168.924 194.446 235.795 1.00 0.00 -0.343 N +ATOM 6624 CB ASP B 157 167.173 193.062 236.807 1.00 0.00 0.087 C +ATOM 6625 CG ASP B 157 165.915 193.408 236.033 1.00 0.00 0.044 C +ATOM 6626 OD1 ASP B 157 165.922 194.413 235.292 1.00 0.00 -0.548 OA +ATOM 6627 OD2 ASP B 157 164.916 192.668 236.165 1.00 0.00 -0.549 OA +ATOM 6628 H ASP B 157 168.806 193.839 235.198 1.00 0.00 0.164 HD +ATOM 6629 C ASP B 158 172.150 193.826 239.464 1.00 0.00 0.242 C +ATOM 6630 O ASP B 158 173.253 193.277 239.479 1.00 0.00 -0.273 OA +ATOM 6631 CA ASP B 158 170.877 193.001 239.279 1.00 0.00 0.176 C +ATOM 6632 N ASP B 158 170.086 193.429 238.126 1.00 0.00 -0.343 N +ATOM 6633 CB ASP B 158 171.243 191.522 239.135 1.00 0.00 0.087 C +ATOM 6634 CG ASP B 158 172.003 191.234 237.855 1.00 0.00 0.044 C +ATOM 6635 OD1 ASP B 158 171.707 191.883 236.829 1.00 0.00 -0.548 OA +ATOM 6636 OD2 ASP B 158 172.901 190.367 237.877 1.00 0.00 -0.549 OA +ATOM 6637 H ASP B 158 170.439 193.226 237.369 1.00 0.00 0.164 HD +ATOM 6638 CB CYS B 159 173.035 197.220 238.858 1.00 0.00 0.116 C +ATOM 6639 SG CYS B 159 173.158 196.784 237.108 1.00 0.00 -0.092 SA +ATOM 6640 CA CYS B 159 173.144 196.021 239.799 1.00 0.00 0.183 C +ATOM 6641 C CYS B 159 173.263 196.490 241.248 1.00 0.00 0.244 C +ATOM 6642 N CYS B 159 171.997 195.136 239.623 1.00 0.00 -0.343 N +ATOM 6643 O CYS B 159 172.267 196.548 241.969 1.00 0.00 -0.272 OA +ATOM 6644 H CYS B 159 171.237 195.539 239.633 1.00 0.00 0.164 HD +ATOM 6645 C PRO B 160 174.033 198.588 243.407 1.00 0.00 0.243 C +ATOM 6646 O PRO B 160 173.768 198.847 244.579 1.00 0.00 -0.271 OA +ATOM 6647 CA PRO B 160 174.708 197.257 243.071 1.00 0.00 0.175 C +ATOM 6648 N PRO B 160 174.489 196.822 241.685 1.00 0.00 -0.329 N +ATOM 6649 CB PRO B 160 176.236 197.373 243.168 1.00 0.00 0.037 C +ATOM 6650 CG PRO B 160 176.716 197.479 241.774 1.00 0.00 0.024 C +ATOM 6651 CD PRO B 160 175.751 196.715 240.935 1.00 0.00 0.121 C +ATOM 6652 C THR B 161 171.968 200.731 241.452 1.00 0.00 0.245 C +ATOM 6653 O THR B 161 172.166 200.135 240.395 1.00 0.00 -0.273 OA +ATOM 6654 CA THR B 161 172.979 200.629 242.588 1.00 0.00 0.199 C +ATOM 6655 N THR B 161 173.770 199.417 242.399 1.00 0.00 -0.341 N +ATOM 6656 CB THR B 161 173.849 201.905 242.624 1.00 0.00 0.143 C +ATOM 6657 CG2 THR B 161 175.132 201.671 243.410 1.00 0.00 0.041 C +ATOM 6658 OG1 THR B 161 174.169 202.313 241.289 1.00 0.00 -0.389 OA +ATOM 6659 HG1 THR B 161 174.642 203.007 241.306 1.00 0.00 0.211 HD +ATOM 6660 H THR B 161 174.041 199.299 241.592 1.00 0.00 0.164 HD +ATOM 6661 C PRO B 162 170.284 202.140 239.306 1.00 0.00 0.243 C +ATOM 6662 O PRO B 162 169.599 201.946 238.303 1.00 0.00 -0.271 OA +ATOM 6663 CA PRO B 162 169.823 201.548 240.640 1.00 0.00 0.175 C +ATOM 6664 N PRO B 162 170.871 201.474 241.666 1.00 0.00 -0.329 N +ATOM 6665 CB PRO B 162 168.753 202.441 241.289 1.00 0.00 0.037 C +ATOM 6666 CG PRO B 162 169.404 203.077 242.467 1.00 0.00 0.024 C +ATOM 6667 CD PRO B 162 170.473 202.150 242.912 1.00 0.00 0.121 C +ATOM 6668 C LEU B 163 173.157 202.709 237.515 1.00 0.00 0.243 C +ATOM 6669 O LEU B 163 173.722 203.109 236.501 1.00 0.00 -0.272 OA +ATOM 6670 CA LEU B 163 171.932 203.440 238.058 1.00 0.00 0.172 C +ATOM 6671 N LEU B 163 171.418 202.837 239.289 1.00 0.00 -0.345 N +ATOM 6672 CB LEU B 163 172.271 204.915 238.289 1.00 0.00 0.038 C +ATOM 6673 CG LEU B 163 171.083 205.859 238.503 1.00 0.00 -0.015 C +ATOM 6674 CD1 LEU B 163 171.573 207.271 238.767 1.00 0.00 0.007 C +ATOM 6675 CD2 LEU B 163 170.145 205.843 237.307 1.00 0.00 0.007 C +ATOM 6676 H LEU B 163 171.911 202.976 239.980 1.00 0.00 0.165 HD +ATOM 6677 C GLY B 164 175.625 200.580 238.953 1.00 0.00 0.239 C +ATOM 6678 O GLY B 164 175.479 199.565 239.630 1.00 0.00 -0.273 OA +ATOM 6679 CA GLY B 164 174.712 200.860 237.778 1.00 0.00 0.216 C +ATOM 6680 N GLY B 164 173.554 201.634 238.185 1.00 0.00 -0.346 N +ATOM 6681 H GLY B 164 173.162 201.330 238.888 1.00 0.00 0.164 HD +ATOM 6682 C VAL B 165 177.676 202.692 241.058 1.00 0.00 0.243 C +ATOM 6683 O VAL B 165 178.170 202.717 242.184 1.00 0.00 -0.272 OA +ATOM 6684 CA VAL B 165 177.476 201.362 240.332 1.00 0.00 0.173 C +ATOM 6685 N VAL B 165 176.567 201.486 239.198 1.00 0.00 -0.343 N +ATOM 6686 CB VAL B 165 178.850 200.817 239.892 1.00 0.00 0.015 C +ATOM 6687 CG1 VAL B 165 178.708 199.406 239.337 1.00 0.00 0.010 C +ATOM 6688 CG2 VAL B 165 179.490 201.734 238.865 1.00 0.00 0.010 C +ATOM 6689 H VAL B 165 176.702 202.187 238.717 1.00 0.00 0.164 HD +ATOM 6690 C LYS B 166 176.211 205.467 241.873 1.00 0.00 0.242 C +ATOM 6691 O LYS B 166 175.118 204.942 241.671 1.00 0.00 -0.273 OA +ATOM 6692 CA LYS B 166 177.423 205.114 241.015 1.00 0.00 0.171 C +ATOM 6693 N LYS B 166 177.290 203.790 240.416 1.00 0.00 -0.344 N +ATOM 6694 CB LYS B 166 177.609 206.182 239.928 1.00 0.00 0.035 C +ATOM 6695 CG LYS B 166 178.837 205.998 239.043 1.00 0.00 0.008 C +ATOM 6696 CD LYS B 166 180.070 205.627 239.854 1.00 0.00 0.061 C +ATOM 6697 CE LYS B 166 181.344 206.154 239.225 1.00 0.00 0.258 C +ATOM 6698 NZ LYS B 166 181.648 207.529 239.708 1.00 0.00 -0.357 N +ATOM 6699 HZ1 LYS B 166 182.397 207.825 239.330 1.00 0.00 0.345 HD +ATOM 6700 HZ2 LYS B 166 180.981 208.079 239.496 1.00 0.00 0.345 HD +ATOM 6701 HZ3 LYS B 166 181.751 207.525 240.592 1.00 0.00 0.345 HD +ATOM 6702 H LYS B 166 176.947 203.796 239.628 1.00 0.00 0.164 HD +ATOM 6703 C GLY B 167 175.056 205.892 244.836 1.00 0.00 0.239 C +ATOM 6704 O GLY B 167 175.629 204.805 244.927 1.00 0.00 -0.273 OA +ATOM 6705 CA GLY B 167 175.352 206.836 243.688 1.00 0.00 0.216 C +ATOM 6706 N GLY B 167 176.422 206.363 242.831 1.00 0.00 -0.346 N +ATOM 6707 H GLY B 167 177.187 206.715 243.003 1.00 0.00 0.164 HD +ATOM 6708 C GLN B 170 168.632 205.578 246.392 1.00 0.00 0.242 C +ATOM 6709 O GLN B 170 169.378 206.407 246.913 1.00 0.00 -0.273 OA +ATOM 6710 CA GLN B 170 168.560 204.154 246.921 1.00 0.00 0.171 C +ATOM 6711 N GLN B 170 169.897 203.675 247.260 1.00 0.00 -0.343 N +ATOM 6712 CB GLN B 170 167.631 204.097 248.136 1.00 0.00 0.045 C +ATOM 6713 CG GLN B 170 167.259 202.679 248.572 1.00 0.00 0.102 C +ATOM 6714 CD GLN B 170 167.751 202.316 249.965 1.00 0.00 0.217 C +ATOM 6715 OE1 GLN B 170 168.583 203.009 250.552 1.00 0.00 -0.275 OA +ATOM 6716 NE2 GLN B 170 167.234 201.214 250.501 1.00 0.00 -0.368 N +ATOM 6717 HE22 GLN B 170 166.656 200.753 250.063 1.00 0.00 0.159 HD +ATOM 6718 HE21 GLN B 170 167.477 200.963 251.287 1.00 0.00 0.159 HD +ATOM 6719 H GLN B 170 170.319 204.188 247.807 1.00 0.00 0.164 HD +ATOM 6720 C LEU B 171 167.077 208.148 245.712 1.00 0.00 0.243 C +ATOM 6721 O LEU B 171 166.321 207.711 246.578 1.00 0.00 -0.272 OA +ATOM 6722 CA LEU B 171 167.808 207.192 244.775 1.00 0.00 0.172 C +ATOM 6723 N LEU B 171 167.856 205.856 245.351 1.00 0.00 -0.345 N +ATOM 6724 CB LEU B 171 167.125 207.158 243.407 1.00 0.00 0.038 C +ATOM 6725 CG LEU B 171 167.895 206.411 242.316 1.00 0.00 -0.015 C +ATOM 6726 CD1 LEU B 171 166.996 206.132 241.123 1.00 0.00 0.007 C +ATOM 6727 CD2 LEU B 171 169.122 207.204 241.887 1.00 0.00 0.007 C +ATOM 6728 H LEU B 171 167.346 205.285 244.959 1.00 0.00 0.165 HD +ATOM 6729 C PRO B 172 165.106 210.365 246.277 1.00 0.00 0.243 C +ATOM 6730 O PRO B 172 164.589 209.949 245.241 1.00 0.00 -0.271 OA +ATOM 6731 CA PRO B 172 166.623 210.447 246.391 1.00 0.00 0.175 C +ATOM 6732 N PRO B 172 167.301 209.460 245.543 1.00 0.00 -0.329 N +ATOM 6733 CB PRO B 172 167.126 211.790 245.853 1.00 0.00 0.037 C +ATOM 6734 CG PRO B 172 168.327 211.480 245.045 1.00 0.00 0.024 C +ATOM 6735 CD PRO B 172 168.182 210.091 244.547 1.00 0.00 0.121 C +ATOM 6736 C ASP B 173 162.469 211.712 246.187 1.00 0.00 0.242 C +ATOM 6737 O ASP B 173 162.929 212.847 246.055 1.00 0.00 -0.273 OA +ATOM 6738 CA ASP B 173 162.952 210.803 247.315 1.00 0.00 0.176 C +ATOM 6739 N ASP B 173 164.408 210.764 247.333 1.00 0.00 -0.343 N +ATOM 6740 CB ASP B 173 162.416 211.289 248.663 1.00 0.00 0.087 C +ATOM 6741 CG ASP B 173 160.924 211.080 248.806 1.00 0.00 0.044 C +ATOM 6742 OD1 ASP B 173 160.521 210.054 249.393 1.00 0.00 -0.548 OA +ATOM 6743 OD2 ASP B 173 160.153 211.940 248.331 1.00 0.00 -0.549 OA +ATOM 6744 H ASP B 173 164.756 211.018 248.077 1.00 0.00 0.164 HD +ATOM 6745 C SER B 174 160.498 213.306 244.629 1.00 0.00 0.244 C +ATOM 6746 O SER B 174 160.826 214.313 244.003 1.00 0.00 -0.272 OA +ATOM 6747 CA SER B 174 161.018 211.931 244.229 1.00 0.00 0.197 C +ATOM 6748 N SER B 174 161.554 211.196 245.371 1.00 0.00 -0.342 N +ATOM 6749 CB SER B 174 159.890 211.137 243.568 1.00 0.00 0.191 C +ATOM 6750 OG SER B 174 160.339 209.861 243.155 1.00 0.00 -0.392 OA +ATOM 6751 HG SER B 174 160.965 209.942 242.602 1.00 0.00 0.210 HD +ATOM 6752 H SER B 174 161.221 210.408 245.461 1.00 0.00 0.164 HD +ATOM 6753 C ASN B 175 160.067 215.576 246.652 1.00 0.00 0.242 C +ATOM 6754 O ASN B 175 159.885 216.781 246.487 1.00 0.00 -0.273 OA +ATOM 6755 CA ASN B 175 159.050 214.562 246.134 1.00 0.00 0.180 C +ATOM 6756 N ASN B 175 159.686 213.334 245.680 1.00 0.00 -0.342 N +ATOM 6757 CB ASN B 175 158.020 214.240 247.217 1.00 0.00 0.134 C +ATOM 6758 CG ASN B 175 157.097 215.404 247.508 1.00 0.00 0.220 C +ATOM 6759 OD1 ASN B 175 156.247 215.756 246.690 1.00 0.00 -0.275 OA +ATOM 6760 ND2 ASN B 175 157.248 216.000 248.684 1.00 0.00 -0.368 N +ATOM 6761 HD22 ASN B 175 156.747 216.666 248.896 1.00 0.00 0.159 HD +ATOM 6762 HD21 ASN B 175 157.847 215.720 249.234 1.00 0.00 0.159 HD +ATOM 6763 H ASN B 175 159.486 212.644 246.152 1.00 0.00 0.164 HD +ATOM 6764 C GLU B 176 162.852 216.706 246.585 1.00 0.00 0.242 C +ATOM 6765 O GLU B 176 163.058 217.916 246.658 1.00 0.00 -0.273 OA +ATOM 6766 CA GLU B 176 162.204 215.961 247.747 1.00 0.00 0.171 C +ATOM 6767 N GLU B 176 161.135 215.087 247.276 1.00 0.00 -0.344 N +ATOM 6768 CB GLU B 176 163.270 215.167 248.507 1.00 0.00 0.041 C +ATOM 6769 CG GLU B 176 163.001 215.020 249.999 1.00 0.00 0.055 C +ATOM 6770 CD GLU B 176 164.269 214.797 250.804 1.00 0.00 0.041 C +ATOM 6771 OE1 GLU B 176 165.231 215.577 250.634 1.00 0.00 -0.548 OA +ATOM 6772 OE2 GLU B 176 164.302 213.844 251.612 1.00 0.00 -0.549 OA +ATOM 6773 H GLU B 176 161.264 214.253 247.438 1.00 0.00 0.164 HD +ATOM 6774 C ILE B 177 162.902 217.657 243.761 1.00 0.00 0.243 C +ATOM 6775 O ILE B 177 163.363 218.765 243.488 1.00 0.00 -0.272 OA +ATOM 6776 CA ILE B 177 163.793 216.563 244.338 1.00 0.00 0.174 C +ATOM 6777 N ILE B 177 163.177 215.976 245.522 1.00 0.00 -0.343 N +ATOM 6778 CB ILE B 177 164.065 215.491 243.257 1.00 0.00 0.018 C +ATOM 6779 CG2 ILE B 177 164.450 216.132 241.919 1.00 0.00 0.010 C +ATOM 6780 CG1 ILE B 177 165.186 214.556 243.711 1.00 0.00 0.002 C +ATOM 6781 CD1 ILE B 177 165.228 213.250 242.954 1.00 0.00 0.004 C +ATOM 6782 H ILE B 177 163.049 215.127 245.462 1.00 0.00 0.164 HD +ATOM 6783 C VAL B 178 160.587 219.544 243.856 1.00 0.00 0.243 C +ATOM 6784 O VAL B 178 160.649 220.651 243.324 1.00 0.00 -0.272 OA +ATOM 6785 CA VAL B 178 160.663 218.272 243.019 1.00 0.00 0.173 C +ATOM 6786 N VAL B 178 161.627 217.332 243.575 1.00 0.00 -0.343 N +ATOM 6787 CB VAL B 178 159.260 217.637 242.923 1.00 0.00 0.015 C +ATOM 6788 CG1 VAL B 178 158.213 218.672 242.534 1.00 0.00 0.010 C +ATOM 6789 CG2 VAL B 178 159.264 216.494 241.917 1.00 0.00 0.010 C +ATOM 6790 H VAL B 178 161.293 216.563 243.766 1.00 0.00 0.164 HD +ATOM 6791 C GLU B 179 161.570 221.359 246.170 1.00 0.00 0.242 C +ATOM 6792 O GLU B 179 161.504 222.586 246.227 1.00 0.00 -0.273 OA +ATOM 6793 CA GLU B 179 160.298 220.518 246.068 1.00 0.00 0.171 C +ATOM 6794 N GLU B 179 160.453 219.381 245.167 1.00 0.00 -0.344 N +ATOM 6795 CB GLU B 179 159.889 220.038 247.463 1.00 0.00 0.041 C +ATOM 6796 CG GLU B 179 158.477 219.470 247.539 1.00 0.00 0.055 C +ATOM 6797 CD GLU B 179 158.104 219.024 248.940 1.00 0.00 0.041 C +ATOM 6798 OE1 GLU B 179 158.981 219.049 249.829 1.00 0.00 -0.548 OA +ATOM 6799 OE2 GLU B 179 156.931 218.651 249.153 1.00 0.00 -0.549 OA +ATOM 6800 H GLU B 179 160.449 218.617 245.563 1.00 0.00 0.164 HD +ATOM 6801 C LYS B 180 164.607 222.013 245.176 1.00 0.00 0.242 C +ATOM 6802 O LYS B 180 165.350 222.988 245.281 1.00 0.00 -0.273 OA +ATOM 6803 CA LYS B 180 163.993 221.382 246.425 1.00 0.00 0.171 C +ATOM 6804 N LYS B 180 162.723 220.698 246.185 1.00 0.00 -0.344 N +ATOM 6805 CB LYS B 180 165.009 220.411 247.032 1.00 0.00 0.035 C +ATOM 6806 CG LYS B 180 164.874 220.207 248.533 1.00 0.00 0.008 C +ATOM 6807 CD LYS B 180 165.997 219.328 249.060 1.00 0.00 0.061 C +ATOM 6808 CE LYS B 180 166.144 219.435 250.572 1.00 0.00 0.258 C +ATOM 6809 NZ LYS B 180 164.961 218.900 251.299 1.00 0.00 -0.357 N +ATOM 6810 HZ1 LYS B 180 165.083 218.980 252.177 1.00 0.00 0.345 HD +ATOM 6811 HZ2 LYS B 180 164.231 219.353 251.066 1.00 0.00 0.345 HD +ATOM 6812 HZ3 LYS B 180 164.845 218.041 251.099 1.00 0.00 0.345 HD +ATOM 6813 H LYS B 180 162.799 219.851 246.058 1.00 0.00 0.164 HD +ATOM 6814 C LEU B 181 164.111 222.291 241.626 1.00 0.00 0.243 C +ATOM 6815 O LEU B 181 164.567 223.003 240.734 1.00 0.00 -0.272 OA +ATOM 6816 CA LEU B 181 165.010 221.841 242.776 1.00 0.00 0.172 C +ATOM 6817 N LEU B 181 164.303 221.462 244.001 1.00 0.00 -0.345 N +ATOM 6818 CB LEU B 181 165.869 220.668 242.293 1.00 0.00 0.038 C +ATOM 6819 CG LEU B 181 167.005 220.222 243.215 1.00 0.00 -0.015 C +ATOM 6820 CD1 LEU B 181 167.647 218.949 242.689 1.00 0.00 0.007 C +ATOM 6821 CD2 LEU B 181 168.045 221.318 243.355 1.00 0.00 0.007 C +ATOM 6822 H LEU B 181 163.693 220.868 243.886 1.00 0.00 0.165 HD +ATOM 6823 C LEU B 182 160.744 222.931 240.729 1.00 0.00 0.243 C +ATOM 6824 O LEU B 182 160.217 223.550 239.805 1.00 0.00 -0.272 OA +ATOM 6825 CA LEU B 182 161.975 222.062 240.477 1.00 0.00 0.172 C +ATOM 6826 N LEU B 182 162.845 221.882 241.641 1.00 0.00 -0.345 N +ATOM 6827 CB LEU B 182 161.521 220.694 239.960 1.00 0.00 0.038 C +ATOM 6828 CG LEU B 182 162.631 219.680 239.672 1.00 0.00 -0.015 C +ATOM 6829 CD1 LEU B 182 162.028 218.404 239.116 1.00 0.00 0.007 C +ATOM 6830 CD2 LEU B 182 163.673 220.246 238.713 1.00 0.00 0.007 C +ATOM 6831 H LEU B 182 162.465 221.499 242.310 1.00 0.00 0.165 HD +ATOM 6832 C LEU B 183 159.231 225.206 242.131 1.00 0.00 0.243 C +ATOM 6833 O LEU B 183 160.231 225.770 242.571 1.00 0.00 -0.272 OA +ATOM 6834 CA LEU B 183 159.051 223.695 242.286 1.00 0.00 0.172 C +ATOM 6835 N LEU B 183 160.277 222.974 241.970 1.00 0.00 -0.345 N +ATOM 6836 CB LEU B 183 158.592 223.361 243.705 1.00 0.00 0.038 C +ATOM 6837 CG LEU B 183 157.176 223.801 244.083 1.00 0.00 -0.015 C +ATOM 6838 CD1 LEU B 183 156.134 223.070 243.246 1.00 0.00 0.007 C +ATOM 6839 CD2 LEU B 183 156.934 223.565 245.562 1.00 0.00 0.007 C +ATOM 6840 H LEU B 183 160.650 222.595 242.646 1.00 0.00 0.165 HD +ATOM 6841 C ARG B 184 157.905 228.107 242.463 1.00 0.00 0.242 C +ATOM 6842 O ARG B 184 156.874 227.856 243.085 1.00 0.00 -0.273 OA +ATOM 6843 CA ARG B 184 158.300 227.285 241.238 1.00 0.00 0.171 C +ATOM 6844 N ARG B 184 158.252 225.849 241.500 1.00 0.00 -0.344 N +ATOM 6845 CB ARG B 184 157.380 227.637 240.065 1.00 0.00 0.038 C +ATOM 6846 CG ARG B 184 157.269 229.128 239.760 1.00 0.00 0.040 C +ATOM 6847 CD ARG B 184 156.239 229.388 238.674 1.00 0.00 0.197 C +ATOM 6848 NE ARG B 184 156.644 228.835 237.384 1.00 0.00 -0.278 N +ATOM 6849 HE ARG B 184 157.460 228.580 237.296 1.00 0.00 0.260 HD +ATOM 6850 CZ ARG B 184 155.836 228.700 236.337 1.00 0.00 0.339 C +ATOM 6851 NH1 ARG B 184 154.565 229.068 236.416 1.00 0.00 -0.290 N +ATOM 6852 NH2 ARG B 184 156.299 228.190 235.207 1.00 0.00 -0.290 N +ATOM 6853 HH12 ARG B 184 154.258 229.401 237.147 1.00 0.00 0.256 HD +ATOM 6854 HH11 ARG B 184 154.048 228.976 235.735 1.00 0.00 0.256 HD +ATOM 6855 HH22 ARG B 184 157.122 227.948 235.150 1.00 0.00 0.256 HD +ATOM 6856 HH21 ARG B 184 155.776 228.100 234.531 1.00 0.00 0.256 HD +ATOM 6857 H ARG B 184 157.538 225.469 241.209 1.00 0.00 0.164 HD +ATOM 6858 C ARG B 185 158.017 231.368 243.144 1.00 0.00 0.242 C +ATOM 6859 O ARG B 185 156.935 231.907 243.370 1.00 0.00 -0.273 OA +ATOM 6860 CA ARG B 185 158.423 230.072 243.827 1.00 0.00 0.171 C +ATOM 6861 N ARG B 185 158.739 229.088 242.795 1.00 0.00 -0.344 N +ATOM 6862 CB ARG B 185 159.624 230.317 244.740 1.00 0.00 0.038 C +ATOM 6863 CG ARG B 185 160.302 229.056 245.245 1.00 0.00 0.040 C +ATOM 6864 CD ARG B 185 159.389 228.250 246.150 1.00 0.00 0.197 C +ATOM 6865 NE ARG B 185 158.932 229.024 247.299 1.00 0.00 -0.278 N +ATOM 6866 HE ARG B 185 158.129 229.332 247.282 1.00 0.00 0.260 HD +ATOM 6867 CZ ARG B 185 159.673 229.286 248.372 1.00 0.00 0.339 C +ATOM 6868 NH1 ARG B 185 160.921 228.845 248.448 1.00 0.00 -0.290 N +ATOM 6869 NH2 ARG B 185 159.166 229.997 249.369 1.00 0.00 -0.290 N +ATOM 6870 HH12 ARG B 185 161.254 228.383 247.804 1.00 0.00 0.256 HD +ATOM 6871 HH11 ARG B 185 161.396 229.018 249.144 1.00 0.00 0.256 HD +ATOM 6872 HH22 ARG B 185 158.358 230.287 249.323 1.00 0.00 0.256 HD +ATOM 6873 HH21 ARG B 185 159.646 230.169 250.062 1.00 0.00 0.256 HD +ATOM 6874 H ARG B 185 159.508 229.206 242.431 1.00 0.00 0.164 HD +ATOM 6875 C LYS B 186 158.744 232.661 240.038 1.00 0.00 0.242 C +ATOM 6876 O LYS B 186 159.646 231.954 239.591 1.00 0.00 -0.273 OA +ATOM 6877 CA LYS B 186 158.734 233.052 241.510 1.00 0.00 0.171 C +ATOM 6878 N LYS B 186 158.920 231.846 242.298 1.00 0.00 -0.344 N +ATOM 6879 CB LYS B 186 159.842 234.054 241.835 1.00 0.00 0.035 C +ATOM 6880 CG LYS B 186 159.922 235.286 240.955 1.00 0.00 0.008 C +ATOM 6881 CD LYS B 186 160.948 236.252 241.541 1.00 0.00 0.061 C +ATOM 6882 CE LYS B 186 161.428 237.283 240.535 1.00 0.00 0.258 C +ATOM 6883 NZ LYS B 186 160.364 238.242 240.145 1.00 0.00 -0.357 N +ATOM 6884 HZ1 LYS B 186 160.683 238.828 239.556 1.00 0.00 0.345 HD +ATOM 6885 HZ2 LYS B 186 159.681 237.805 239.777 1.00 0.00 0.345 HD +ATOM 6886 HZ3 LYS B 186 160.073 238.681 240.862 1.00 0.00 0.345 HD +ATOM 6887 H LYS B 186 159.681 231.469 242.160 1.00 0.00 0.164 HD +ATOM 6888 C PHE B 187 158.853 233.339 237.147 1.00 0.00 0.243 C +ATOM 6889 O PHE B 187 159.167 234.517 237.302 1.00 0.00 -0.272 OA +ATOM 6890 CA PHE B 187 157.659 232.753 237.878 1.00 0.00 0.175 C +ATOM 6891 N PHE B 187 157.730 233.086 239.292 1.00 0.00 -0.343 N +ATOM 6892 CB PHE B 187 156.359 233.263 237.254 1.00 0.00 0.070 C +ATOM 6893 CG PHE B 187 156.313 233.125 235.757 1.00 0.00 -0.045 A +ATOM 6894 CD1 PHE B 187 156.018 231.907 235.169 1.00 0.00 0.004 A +ATOM 6895 CD2 PHE B 187 156.567 234.212 234.939 1.00 0.00 0.004 A +ATOM 6896 CE1 PHE B 187 155.976 231.776 233.795 1.00 0.00 0.000 A +ATOM 6897 CE2 PHE B 187 156.526 234.087 233.565 1.00 0.00 0.000 A +ATOM 6898 CZ PHE B 187 156.230 232.865 232.993 1.00 0.00 0.000 A +ATOM 6899 H PHE B 187 157.076 233.564 239.579 1.00 0.00 0.164 HD +ATOM 6900 C ILE B 188 160.315 232.919 234.092 1.00 0.00 0.243 C +ATOM 6901 O ILE B 188 160.159 231.849 233.510 1.00 0.00 -0.272 OA +ATOM 6902 CA ILE B 188 160.671 232.939 235.576 1.00 0.00 0.174 C +ATOM 6903 N ILE B 188 159.518 232.507 236.352 1.00 0.00 -0.343 N +ATOM 6904 CB ILE B 188 161.894 232.048 235.829 1.00 0.00 0.018 C +ATOM 6905 CG2 ILE B 188 163.080 232.525 234.989 1.00 0.00 0.010 C +ATOM 6906 CG1 ILE B 188 162.248 232.073 237.317 1.00 0.00 0.002 C +ATOM 6907 CD1 ILE B 188 163.382 231.150 237.703 1.00 0.00 0.004 C +ATOM 6908 H ILE B 188 159.317 231.678 236.245 1.00 0.00 0.164 HD +ATOM 6909 C PRO B 189 160.901 233.637 231.133 1.00 0.00 0.243 C +ATOM 6910 O PRO B 189 162.082 233.741 231.459 1.00 0.00 -0.271 OA +ATOM 6911 CA PRO B 189 159.798 234.141 232.055 1.00 0.00 0.175 C +ATOM 6912 N PRO B 189 160.181 234.104 233.470 1.00 0.00 -0.329 N +ATOM 6913 CB PRO B 189 159.517 235.627 231.814 1.00 0.00 0.037 C +ATOM 6914 CG PRO B 189 160.373 236.326 232.798 1.00 0.00 0.024 C +ATOM 6915 CD PRO B 189 160.384 235.458 234.015 1.00 0.00 0.121 C +ATOM 6916 C ASP B 190 162.169 233.848 228.362 1.00 0.00 0.242 C +ATOM 6917 O ASP B 190 161.509 234.721 227.806 1.00 0.00 -0.273 OA +ATOM 6918 CA ASP B 190 161.465 232.644 228.992 1.00 0.00 0.176 C +ATOM 6919 N ASP B 190 160.508 233.087 229.991 1.00 0.00 -0.343 N +ATOM 6920 CB ASP B 190 160.764 231.818 227.915 1.00 0.00 0.087 C +ATOM 6921 CG ASP B 190 161.654 231.541 226.724 1.00 0.00 0.044 C +ATOM 6922 OD1 ASP B 190 162.859 231.297 226.927 1.00 0.00 -0.548 OA +ATOM 6923 OD2 ASP B 190 161.154 231.579 225.586 1.00 0.00 -0.549 OA +ATOM 6924 H ASP B 190 159.686 232.960 229.771 1.00 0.00 0.164 HD +ATOM 6925 C PRO B 191 164.157 235.104 226.335 1.00 0.00 0.243 C +ATOM 6926 O PRO B 191 164.439 236.150 225.758 1.00 0.00 -0.271 OA +ATOM 6927 CA PRO B 191 164.186 235.069 227.862 1.00 0.00 0.175 C +ATOM 6928 N PRO B 191 163.512 233.897 228.430 1.00 0.00 -0.329 N +ATOM 6929 CB PRO B 191 165.632 234.931 228.368 1.00 0.00 0.037 C +ATOM 6930 CG PRO B 191 165.672 233.711 229.230 1.00 0.00 0.024 C +ATOM 6931 CD PRO B 191 164.474 232.901 228.931 1.00 0.00 0.121 C +ATOM 6932 C GLN B 192 162.362 234.469 223.793 1.00 0.00 0.242 C +ATOM 6933 O GLN B 192 162.125 234.664 222.601 1.00 0.00 -0.273 OA +ATOM 6934 CA GLN B 192 163.717 233.930 224.244 1.00 0.00 0.171 C +ATOM 6935 N GLN B 192 163.838 233.981 225.700 1.00 0.00 -0.343 N +ATOM 6936 CB GLN B 192 163.919 232.502 223.727 1.00 0.00 0.045 C +ATOM 6937 CG GLN B 192 165.371 232.043 223.757 1.00 0.00 0.102 C +ATOM 6938 CD GLN B 192 165.579 230.673 223.149 1.00 0.00 0.217 C +ATOM 6939 OE1 GLN B 192 166.253 229.826 223.730 1.00 0.00 -0.275 OA +ATOM 6940 NE2 GLN B 192 165.016 230.451 221.966 1.00 0.00 -0.368 N +ATOM 6941 HE22 GLN B 192 164.560 231.072 221.584 1.00 0.00 0.159 HD +ATOM 6942 HE21 GLN B 192 165.108 229.687 221.582 1.00 0.00 0.159 HD +ATOM 6943 H GLN B 192 163.686 233.230 226.090 1.00 0.00 0.164 HD +ATOM 6944 C GLY B 193 159.085 234.402 224.048 1.00 0.00 0.239 C +ATOM 6945 O GLY B 193 158.077 234.865 223.518 1.00 0.00 -0.273 OA +ATOM 6946 CA GLY B 193 160.200 235.340 224.474 1.00 0.00 0.216 C +ATOM 6947 N GLY B 193 161.472 234.701 224.751 1.00 0.00 -0.346 N +ATOM 6948 H GLY B 193 161.586 234.494 225.578 1.00 0.00 0.164 HD +ATOM 6949 C SER B 194 156.894 232.493 224.544 1.00 0.00 0.244 C +ATOM 6950 O SER B 194 156.836 232.880 225.710 1.00 0.00 -0.272 OA +ATOM 6951 CA SER B 194 158.232 232.116 223.926 1.00 0.00 0.197 C +ATOM 6952 N SER B 194 159.256 233.102 224.279 1.00 0.00 -0.342 N +ATOM 6953 CB SER B 194 158.629 230.714 224.396 1.00 0.00 0.191 C +ATOM 6954 OG SER B 194 159.894 230.330 223.890 1.00 0.00 -0.392 OA +ATOM 6955 HG SER B 194 160.483 230.868 224.152 1.00 0.00 0.210 HD +ATOM 6956 H SER B 194 159.958 232.762 224.640 1.00 0.00 0.164 HD +ATOM 6957 C ASN B 195 153.612 231.470 224.383 1.00 0.00 0.242 C +ATOM 6958 O ASN B 195 154.084 230.351 224.207 1.00 0.00 -0.273 OA +ATOM 6959 CA ASN B 195 154.490 232.713 224.231 1.00 0.00 0.180 C +ATOM 6960 N ASN B 195 155.827 232.378 223.759 1.00 0.00 -0.342 N +ATOM 6961 CB ASN B 195 153.835 233.727 223.288 1.00 0.00 0.134 C +ATOM 6962 CG ASN B 195 153.721 233.222 221.859 1.00 0.00 0.220 C +ATOM 6963 OD1 ASN B 195 153.795 232.022 221.595 1.00 0.00 -0.275 OA +ATOM 6964 ND2 ASN B 195 153.540 234.148 220.925 1.00 0.00 -0.368 N +ATOM 6965 HD22 ASN B 195 153.469 233.918 220.099 1.00 0.00 0.159 HD +ATOM 6966 HD21 ASN B 195 153.494 234.978 221.145 1.00 0.00 0.159 HD +ATOM 6967 H ASN B 195 155.852 232.106 222.943 1.00 0.00 0.164 HD +ATOM 6968 C MET B 196 151.042 229.834 223.679 1.00 0.00 0.242 C +ATOM 6969 O MET B 196 150.656 228.666 223.701 1.00 0.00 -0.272 OA +ATOM 6970 CA MET B 196 151.457 230.531 224.969 1.00 0.00 0.172 C +ATOM 6971 N MET B 196 152.340 231.663 224.714 1.00 0.00 -0.344 N +ATOM 6972 CB MET B 196 150.218 230.980 225.746 1.00 0.00 0.046 C +ATOM 6973 CG MET B 196 150.492 231.338 227.203 1.00 0.00 0.072 C +ATOM 6974 SD MET B 196 151.435 230.080 228.098 1.00 0.00 -0.165 SA +ATOM 6975 CE MET B 196 150.352 228.662 227.960 1.00 0.00 0.085 C +ATOM 6976 H MET B 196 151.967 232.433 224.799 1.00 0.00 0.164 HD +ATOM 6977 C MET B 197 152.002 228.846 221.060 1.00 0.00 0.242 C +ATOM 6978 O MET B 197 151.738 227.778 220.511 1.00 0.00 -0.272 OA +ATOM 6979 CA MET B 197 150.923 229.906 221.266 1.00 0.00 0.172 C +ATOM 6980 N MET B 197 151.119 230.542 222.558 1.00 0.00 -0.344 N +ATOM 6981 CB MET B 197 150.961 230.931 220.131 1.00 0.00 0.046 C +ATOM 6982 CG MET B 197 149.772 231.878 220.104 1.00 0.00 0.072 C +ATOM 6983 SD MET B 197 148.212 231.066 219.702 1.00 0.00 -0.165 SA +ATOM 6984 CE MET B 197 148.473 230.631 217.986 1.00 0.00 0.085 C +ATOM 6985 H MET B 197 151.282 231.386 222.520 1.00 0.00 0.164 HD +ATOM 6986 C PHE B 198 154.145 227.026 222.368 1.00 0.00 0.243 C +ATOM 6987 O PHE B 198 154.344 225.876 221.984 1.00 0.00 -0.272 OA +ATOM 6988 CA PHE B 198 154.327 228.205 221.416 1.00 0.00 0.175 C +ATOM 6989 N PHE B 198 153.216 229.145 221.516 1.00 0.00 -0.343 N +ATOM 6990 CB PHE B 198 155.661 228.903 221.708 1.00 0.00 0.070 C +ATOM 6991 CG PHE B 198 156.823 227.959 221.822 1.00 0.00 -0.045 A +ATOM 6992 CD1 PHE B 198 157.457 227.482 220.690 1.00 0.00 0.004 A +ATOM 6993 CD2 PHE B 198 157.274 227.540 223.062 1.00 0.00 0.004 A +ATOM 6994 CE1 PHE B 198 158.518 226.609 220.792 1.00 0.00 0.000 A +ATOM 6995 CE2 PHE B 198 158.335 226.666 223.166 1.00 0.00 0.000 A +ATOM 6996 CZ PHE B 198 158.956 226.201 222.031 1.00 0.00 0.000 A +ATOM 6997 H PHE B 198 153.422 229.891 221.891 1.00 0.00 0.164 HD +ATOM 6998 C ALA B 199 152.536 225.264 224.265 1.00 0.00 0.243 C +ATOM 6999 O ALA B 199 152.755 224.059 224.393 1.00 0.00 -0.272 OA +ATOM 7000 CA ALA B 199 153.616 226.286 224.626 1.00 0.00 0.168 C +ATOM 7001 N ALA B 199 153.762 227.318 223.606 1.00 0.00 -0.344 N +ATOM 7002 CB ALA B 199 153.307 226.920 225.972 1.00 0.00 0.041 C +ATOM 7003 H ALA B 199 153.580 228.111 223.882 1.00 0.00 0.164 HD +ATOM 7004 C PHE B 200 150.501 224.148 222.138 1.00 0.00 0.243 C +ATOM 7005 O PHE B 200 149.997 223.050 221.911 1.00 0.00 -0.272 OA +ATOM 7006 CA PHE B 200 150.279 224.835 223.480 1.00 0.00 0.175 C +ATOM 7007 N PHE B 200 151.378 225.736 223.816 1.00 0.00 -0.343 N +ATOM 7008 CB PHE B 200 148.944 225.583 223.469 1.00 0.00 0.070 C +ATOM 7009 CG PHE B 200 148.403 225.869 224.839 1.00 0.00 -0.045 A +ATOM 7010 CD1 PHE B 200 148.118 224.833 225.712 1.00 0.00 0.004 A +ATOM 7011 CD2 PHE B 200 148.177 227.168 225.254 1.00 0.00 0.004 A +ATOM 7012 CE1 PHE B 200 147.625 225.089 226.973 1.00 0.00 0.000 A +ATOM 7013 CE2 PHE B 200 147.679 227.427 226.514 1.00 0.00 0.000 A +ATOM 7014 CZ PHE B 200 147.404 226.385 227.374 1.00 0.00 0.000 A +ATOM 7015 H PHE B 200 151.202 226.570 223.697 1.00 0.00 0.164 HD +ATOM 7016 C PHE B 201 152.530 222.954 220.318 1.00 0.00 0.243 C +ATOM 7017 O PHE B 201 152.387 221.873 219.751 1.00 0.00 -0.272 OA +ATOM 7018 CA PHE B 201 151.617 224.131 220.002 1.00 0.00 0.175 C +ATOM 7019 N PHE B 201 151.248 224.786 221.246 1.00 0.00 -0.343 N +ATOM 7020 CB PHE B 201 152.309 225.089 219.038 1.00 0.00 0.070 C +ATOM 7021 CG PHE B 201 152.590 224.483 217.693 1.00 0.00 -0.045 A +ATOM 7022 CD1 PHE B 201 153.728 223.727 217.483 1.00 0.00 0.004 A +ATOM 7023 CD2 PHE B 201 151.706 224.659 216.643 1.00 0.00 0.004 A +ATOM 7024 CE1 PHE B 201 153.984 223.165 216.251 1.00 0.00 0.000 A +ATOM 7025 CE2 PHE B 201 151.958 224.099 215.409 1.00 0.00 0.000 A +ATOM 7026 CZ PHE B 201 153.099 223.349 215.214 1.00 0.00 0.000 A +ATOM 7027 H PHE B 201 151.550 225.587 221.336 1.00 0.00 0.164 HD +ATOM 7028 C ALA B 202 153.570 220.960 222.261 1.00 0.00 0.243 C +ATOM 7029 O ALA B 202 153.788 219.812 221.883 1.00 0.00 -0.272 OA +ATOM 7030 CA ALA B 202 154.364 222.131 221.693 1.00 0.00 0.168 C +ATOM 7031 N ALA B 202 153.466 223.180 221.232 1.00 0.00 -0.344 N +ATOM 7032 CB ALA B 202 155.328 222.678 222.736 1.00 0.00 0.041 C +ATOM 7033 H ALA B 202 153.603 223.943 221.605 1.00 0.00 0.164 HD +ATOM 7034 C GLN B 203 150.957 219.505 222.739 1.00 0.00 0.242 C +ATOM 7035 O GLN B 203 150.866 218.280 222.730 1.00 0.00 -0.273 OA +ATOM 7036 CA GLN B 203 151.818 220.217 223.778 1.00 0.00 0.171 C +ATOM 7037 N GLN B 203 152.637 221.255 223.162 1.00 0.00 -0.343 N +ATOM 7038 CB GLN B 203 150.928 220.810 224.870 1.00 0.00 0.045 C +ATOM 7039 CG GLN B 203 150.246 219.767 225.741 1.00 0.00 0.102 C +ATOM 7040 CD GLN B 203 149.232 220.368 226.697 1.00 0.00 0.217 C +ATOM 7041 OE1 GLN B 203 148.896 221.547 226.604 1.00 0.00 -0.275 OA +ATOM 7042 NE2 GLN B 203 148.739 219.555 227.623 1.00 0.00 -0.368 N +ATOM 7043 HE22 GLN B 203 148.998 218.735 227.658 1.00 0.00 0.159 HD +ATOM 7044 HE21 GLN B 203 148.161 219.847 228.189 1.00 0.00 0.159 HD +ATOM 7045 H GLN B 203 152.458 222.051 223.434 1.00 0.00 0.164 HD +ATOM 7046 C HIS B 204 150.181 218.831 219.875 1.00 0.00 0.242 C +ATOM 7047 O HIS B 204 149.784 217.690 219.635 1.00 0.00 -0.272 OA +ATOM 7048 CA HIS B 204 149.434 219.728 220.856 1.00 0.00 0.177 C +ATOM 7049 N HIS B 204 150.333 220.281 221.861 1.00 0.00 -0.343 N +ATOM 7050 CB HIS B 204 148.728 220.854 220.100 1.00 0.00 0.090 C +ATOM 7051 CG HIS B 204 147.714 220.374 219.110 1.00 0.00 0.037 A +ATOM 7052 ND1 HIS B 204 147.972 220.293 217.758 1.00 0.00 -0.347 N +ATOM 7053 CD2 HIS B 204 146.438 219.953 219.275 1.00 0.00 0.134 A +ATOM 7054 HD1 HIS B 204 148.716 220.503 217.380 1.00 0.00 0.167 HD +ATOM 7055 CE1 HIS B 204 146.899 219.841 217.135 1.00 0.00 0.196 A +ATOM 7056 NE2 HIS B 204 145.955 219.627 218.032 1.00 0.00 -0.245 NA +ATOM 7057 H HIS B 204 150.413 221.136 221.827 1.00 0.00 0.164 HD +ATOM 7058 C PHE B 205 152.645 217.352 218.824 1.00 0.00 0.243 C +ATOM 7059 O PHE B 205 152.517 216.312 218.186 1.00 0.00 -0.272 OA +ATOM 7060 CA PHE B 205 152.037 218.651 218.300 1.00 0.00 0.175 C +ATOM 7061 N PHE B 205 151.264 219.358 219.315 1.00 0.00 -0.343 N +ATOM 7062 CB PHE B 205 153.139 219.564 217.750 1.00 0.00 0.070 C +ATOM 7063 CG PHE B 205 154.178 218.849 216.936 1.00 0.00 -0.045 A +ATOM 7064 CD1 PHE B 205 153.861 218.299 215.706 1.00 0.00 0.004 A +ATOM 7065 CD2 PHE B 205 155.478 218.740 217.397 1.00 0.00 0.004 A +ATOM 7066 CE1 PHE B 205 154.821 217.646 214.959 1.00 0.00 0.000 A +ATOM 7067 CE2 PHE B 205 156.442 218.090 216.650 1.00 0.00 0.000 A +ATOM 7068 CZ PHE B 205 156.114 217.544 215.432 1.00 0.00 0.000 A +ATOM 7069 H PHE B 205 151.577 220.135 219.509 1.00 0.00 0.164 HD +ATOM 7070 C THR B 206 153.097 215.149 221.018 1.00 0.00 0.245 C +ATOM 7071 O THR B 206 153.488 213.984 221.085 1.00 0.00 -0.273 OA +ATOM 7072 CA THR B 206 154.020 216.241 220.488 1.00 0.00 0.199 C +ATOM 7073 N THR B 206 153.295 217.404 219.983 1.00 0.00 -0.341 N +ATOM 7074 CB THR B 206 155.005 216.615 221.618 1.00 0.00 0.143 C +ATOM 7075 CG2 THR B 206 156.002 217.665 221.151 1.00 0.00 0.041 C +ATOM 7076 OG1 THR B 206 154.283 217.090 222.763 1.00 0.00 -0.389 OA +ATOM 7077 HG1 THR B 206 153.834 217.770 222.557 1.00 0.00 0.211 HD +ATOM 7078 H THR B 206 153.332 218.096 220.493 1.00 0.00 0.164 HD +ATOM 7079 C HIS B 207 150.315 213.651 220.926 1.00 0.00 0.242 C +ATOM 7080 O HIS B 207 149.426 212.866 221.238 1.00 0.00 -0.272 OA +ATOM 7081 CA HIS B 207 150.954 214.549 221.977 1.00 0.00 0.177 C +ATOM 7082 N HIS B 207 151.876 215.516 221.390 1.00 0.00 -0.343 N +ATOM 7083 CB HIS B 207 149.878 215.262 222.790 1.00 0.00 0.093 C +ATOM 7084 CG HIS B 207 150.285 215.531 224.204 1.00 0.00 0.061 A +ATOM 7085 ND1 HIS B 207 151.475 216.145 224.530 1.00 0.00 -0.242 NA +ATOM 7086 CD2 HIS B 207 149.672 215.250 225.377 1.00 0.00 0.107 A +ATOM 7087 CE1 HIS B 207 151.572 216.240 225.844 1.00 0.00 0.196 A +ATOM 7088 NE2 HIS B 207 150.490 215.706 226.382 1.00 0.00 -0.350 N +ATOM 7089 HE2 HIS B 207 150.326 215.651 227.224 1.00 0.00 0.167 HD +ATOM 7090 H HIS B 207 151.557 216.311 221.314 1.00 0.00 0.164 HD +ATOM 7091 C GLN B 208 151.293 211.558 218.709 1.00 0.00 0.242 C +ATOM 7092 O GLN B 208 150.885 210.468 218.313 1.00 0.00 -0.273 OA +ATOM 7093 CA GLN B 208 150.369 212.778 218.677 1.00 0.00 0.171 C +ATOM 7094 N GLN B 208 150.774 213.747 219.684 1.00 0.00 -0.343 N +ATOM 7095 CB GLN B 208 150.349 213.408 217.285 1.00 0.00 0.045 C +ATOM 7096 CG GLN B 208 151.707 213.619 216.647 1.00 0.00 0.102 C +ATOM 7097 CD GLN B 208 151.609 214.446 215.382 1.00 0.00 0.217 C +ATOM 7098 OE1 GLN B 208 151.219 213.944 214.329 1.00 0.00 -0.275 OA +ATOM 7099 NE2 GLN B 208 151.946 215.723 215.484 1.00 0.00 -0.368 N +ATOM 7100 HE22 GLN B 208 152.203 216.042 216.240 1.00 0.00 0.159 HD +ATOM 7101 HE21 GLN B 208 151.907 216.235 214.793 1.00 0.00 0.159 HD +ATOM 7102 H GLN B 208 151.312 214.356 219.402 1.00 0.00 0.164 HD +ATOM 7103 C PHE B 209 153.916 210.320 220.745 1.00 0.00 0.243 C +ATOM 7104 O PHE B 209 154.504 209.272 221.005 1.00 0.00 -0.272 OA +ATOM 7105 CA PHE B 209 153.446 210.596 219.309 1.00 0.00 0.175 C +ATOM 7106 N PHE B 209 152.524 211.730 219.193 1.00 0.00 -0.343 N +ATOM 7107 CB PHE B 209 154.660 210.773 218.380 1.00 0.00 0.070 C +ATOM 7108 CG PHE B 209 155.313 212.124 218.434 1.00 0.00 -0.045 A +ATOM 7109 CD1 PHE B 209 156.074 212.504 219.523 1.00 0.00 0.004 A +ATOM 7110 CD2 PHE B 209 155.217 212.989 217.356 1.00 0.00 0.004 A +ATOM 7111 CE1 PHE B 209 156.693 213.736 219.553 1.00 0.00 0.000 A +ATOM 7112 CE2 PHE B 209 155.837 214.221 217.381 1.00 0.00 0.000 A +ATOM 7113 CZ PHE B 209 156.576 214.594 218.479 1.00 0.00 0.000 A +ATOM 7114 H PHE B 209 152.847 212.482 219.458 1.00 0.00 0.164 HD +ATOM 7115 C PHE B 210 152.401 210.541 223.633 1.00 0.00 0.243 C +ATOM 7116 O PHE B 210 151.614 211.405 224.017 1.00 0.00 -0.272 OA +ATOM 7117 CA PHE B 210 153.776 210.919 223.098 1.00 0.00 0.175 C +ATOM 7118 N PHE B 210 153.646 211.232 221.674 1.00 0.00 -0.343 N +ATOM 7119 CB PHE B 210 154.346 212.093 223.896 1.00 0.00 0.070 C +ATOM 7120 CG PHE B 210 155.735 212.492 223.492 1.00 0.00 -0.045 A +ATOM 7121 CD1 PHE B 210 156.659 211.547 223.081 1.00 0.00 0.004 A +ATOM 7122 CD2 PHE B 210 156.118 213.820 223.533 1.00 0.00 0.004 A +ATOM 7123 CE1 PHE B 210 157.935 211.925 222.716 1.00 0.00 0.000 A +ATOM 7124 CE2 PHE B 210 157.390 214.201 223.168 1.00 0.00 0.000 A +ATOM 7125 CZ PHE B 210 158.300 213.253 222.758 1.00 0.00 0.000 A +ATOM 7126 H PHE B 210 153.387 212.036 221.510 1.00 0.00 0.164 HD +ATOM 7127 C LYS B 211 150.981 207.511 224.916 1.00 0.00 0.242 C +ATOM 7128 O LYS B 211 150.681 206.383 224.528 1.00 0.00 -0.273 OA +ATOM 7129 CA LYS B 211 150.811 208.725 224.021 1.00 0.00 0.171 C +ATOM 7130 N LYS B 211 152.118 209.242 223.637 1.00 0.00 -0.344 N +ATOM 7131 CB LYS B 211 149.993 208.369 222.781 1.00 0.00 0.035 C +ATOM 7132 CG LYS B 211 149.569 209.581 221.973 1.00 0.00 0.008 C +ATOM 7133 CD LYS B 211 149.078 209.197 220.593 1.00 0.00 0.061 C +ATOM 7134 CE LYS B 211 147.859 208.314 220.656 1.00 0.00 0.258 C +ATOM 7135 NZ LYS B 211 147.409 207.929 219.296 1.00 0.00 -0.357 N +ATOM 7136 HZ1 LYS B 211 146.689 207.408 219.350 1.00 0.00 0.345 HD +ATOM 7137 HZ2 LYS B 211 147.205 208.657 218.826 1.00 0.00 0.345 HD +ATOM 7138 HZ3 LYS B 211 148.056 207.485 218.876 1.00 0.00 0.345 HD +ATOM 7139 H LYS B 211 152.679 208.629 223.416 1.00 0.00 0.164 HD +ATOM 7140 C THR B 212 150.608 205.868 227.437 1.00 0.00 0.245 C +ATOM 7141 O THR B 212 149.566 206.385 227.833 1.00 0.00 -0.273 OA +ATOM 7142 CA THR B 212 151.820 206.727 227.072 1.00 0.00 0.199 C +ATOM 7143 N THR B 212 151.471 207.770 226.122 1.00 0.00 -0.341 N +ATOM 7144 CB THR B 212 152.415 207.341 228.353 1.00 0.00 0.143 C +ATOM 7145 CG2 THR B 212 153.137 206.279 229.167 1.00 0.00 0.041 C +ATOM 7146 OG1 THR B 212 153.313 208.411 228.012 1.00 0.00 -0.389 OA +ATOM 7147 HG1 THR B 212 153.661 208.826 228.840 1.00 0.00 0.211 HD +ATOM 7148 H THR B 212 151.613 208.564 226.419 1.00 0.00 0.164 HD +ATOM 7149 C ASP B 213 149.793 203.178 229.064 1.00 0.00 0.242 C +ATOM 7150 O ASP B 213 150.451 202.189 229.380 1.00 0.00 -0.273 OA +ATOM 7151 CA ASP B 213 149.682 203.614 227.606 1.00 0.00 0.176 C +ATOM 7152 N ASP B 213 150.753 204.555 227.291 1.00 0.00 -0.343 N +ATOM 7153 CB ASP B 213 149.743 202.402 226.670 1.00 0.00 0.087 C +ATOM 7154 CG ASP B 213 148.534 201.487 226.807 1.00 0.00 0.044 C +ATOM 7155 OD1 ASP B 213 147.718 201.699 227.726 1.00 0.00 -0.548 OA +ATOM 7156 OD2 ASP B 213 148.402 200.550 225.992 1.00 0.00 -0.549 OA +ATOM 7157 H ASP B 213 151.472 204.178 227.008 1.00 0.00 0.164 HD +ATOM 7158 C HIS B 214 148.588 202.439 231.868 1.00 0.00 0.242 C +ATOM 7159 O HIS B 214 148.832 201.981 232.984 1.00 0.00 -0.272 OA +ATOM 7160 CA HIS B 214 149.305 203.696 231.383 1.00 0.00 0.177 C +ATOM 7161 N HIS B 214 149.142 203.918 229.953 1.00 0.00 -0.343 N +ATOM 7162 CB HIS B 214 148.821 204.920 232.158 1.00 0.00 0.093 C +ATOM 7163 CG HIS B 214 149.710 206.112 231.999 1.00 0.00 0.061 A +ATOM 7164 ND1 HIS B 214 151.032 206.109 232.390 1.00 0.00 -0.242 NA +ATOM 7165 CD2 HIS B 214 149.475 207.339 231.479 1.00 0.00 0.107 A +ATOM 7166 CE1 HIS B 214 151.570 207.285 232.125 1.00 0.00 0.196 A +ATOM 7167 NE2 HIS B 214 150.647 208.050 231.571 1.00 0.00 -0.350 N +ATOM 7168 HE2 HIS B 214 150.760 208.862 231.312 1.00 0.00 0.167 HD +ATOM 7169 H HIS B 214 148.600 204.556 229.753 1.00 0.00 0.164 HD +ATOM 7170 C LYS B 215 148.291 199.541 231.373 1.00 0.00 0.242 C +ATOM 7171 O LYS B 215 148.288 198.647 232.218 1.00 0.00 -0.273 OA +ATOM 7172 CA LYS B 215 147.157 200.557 231.302 1.00 0.00 0.171 C +ATOM 7173 N LYS B 215 147.711 201.881 231.038 1.00 0.00 -0.344 N +ATOM 7174 CB LYS B 215 146.152 200.149 230.220 1.00 0.00 0.035 C +ATOM 7175 CG LYS B 215 144.698 200.365 230.594 1.00 0.00 0.008 C +ATOM 7176 CD LYS B 215 144.389 201.836 230.826 1.00 0.00 0.061 C +ATOM 7177 CE LYS B 215 143.064 202.014 231.543 1.00 0.00 0.258 C +ATOM 7178 NZ LYS B 215 142.907 203.399 232.063 1.00 0.00 -0.357 N +ATOM 7179 HZ1 LYS B 215 142.124 203.480 232.479 1.00 0.00 0.345 HD +ATOM 7180 HZ2 LYS B 215 143.561 203.584 232.638 1.00 0.00 0.345 HD +ATOM 7181 HZ3 LYS B 215 142.940 203.981 231.391 1.00 0.00 0.345 HD +ATOM 7182 H LYS B 215 147.422 202.248 230.315 1.00 0.00 0.164 HD +ATOM 7183 C ARG B 216 151.554 199.208 231.272 1.00 0.00 0.242 C +ATOM 7184 O ARG B 216 152.182 198.380 231.929 1.00 0.00 -0.273 OA +ATOM 7185 CA ARG B 216 150.393 198.788 230.384 1.00 0.00 0.171 C +ATOM 7186 N ARG B 216 149.262 199.700 230.480 1.00 0.00 -0.344 N +ATOM 7187 CB ARG B 216 150.890 198.707 228.942 1.00 0.00 0.038 C +ATOM 7188 CG ARG B 216 149.867 198.237 227.928 1.00 0.00 0.040 C +ATOM 7189 CD ARG B 216 150.364 197.039 227.165 1.00 0.00 0.197 C +ATOM 7190 NE ARG B 216 149.966 197.035 225.761 1.00 0.00 -0.278 N +ATOM 7191 HE ARG B 216 149.695 197.776 225.418 1.00 0.00 0.260 HD +ATOM 7192 CZ ARG B 216 149.890 195.938 225.013 1.00 0.00 0.339 C +ATOM 7193 NH1 ARG B 216 150.167 194.747 225.535 1.00 0.00 -0.290 N +ATOM 7194 NH2 ARG B 216 149.526 196.026 223.744 1.00 0.00 -0.290 N +ATOM 7195 HH12 ARG B 216 150.405 194.683 226.358 1.00 0.00 0.256 HD +ATOM 7196 HH11 ARG B 216 150.113 194.041 225.046 1.00 0.00 0.256 HD +ATOM 7197 HH22 ARG B 216 149.342 196.793 223.402 1.00 0.00 0.256 HD +ATOM 7198 HH21 ARG B 216 149.471 195.316 223.262 1.00 0.00 0.256 HD +ATOM 7199 H ARG B 216 149.287 200.342 229.908 1.00 0.00 0.164 HD +ATOM 7200 C GLY B 217 153.667 202.121 231.138 1.00 0.00 0.239 C +ATOM 7201 O GLY B 217 153.367 202.272 229.956 1.00 0.00 -0.273 OA +ATOM 7202 CA GLY B 217 152.999 201.040 231.963 1.00 0.00 0.216 C +ATOM 7203 N GLY B 217 151.849 200.502 231.261 1.00 0.00 -0.346 N +ATOM 7204 H GLY B 217 151.387 201.098 230.846 1.00 0.00 0.164 HD +ATOM 7205 C PRO B 218 156.115 203.590 229.895 1.00 0.00 0.243 C +ATOM 7206 O PRO B 218 156.454 204.439 229.073 1.00 0.00 -0.271 OA +ATOM 7207 CA PRO B 218 155.260 204.000 231.096 1.00 0.00 0.175 C +ATOM 7208 N PRO B 218 154.582 202.878 231.756 1.00 0.00 -0.329 N +ATOM 7209 CB PRO B 218 156.136 204.583 232.212 1.00 0.00 0.037 C +ATOM 7210 CG PRO B 218 156.283 203.499 233.205 1.00 0.00 0.024 C +ATOM 7211 CD PRO B 218 155.019 202.717 233.153 1.00 0.00 0.121 C +ATOM 7212 C ALA B 219 156.554 201.693 227.402 1.00 0.00 0.243 C +ATOM 7213 O ALA B 219 157.170 201.516 226.351 1.00 0.00 -0.272 OA +ATOM 7214 CA ALA B 219 157.305 201.815 228.722 1.00 0.00 0.168 C +ATOM 7215 N ALA B 219 156.452 202.309 229.797 1.00 0.00 -0.344 N +ATOM 7216 CB ALA B 219 157.900 200.469 229.103 1.00 0.00 0.041 C +ATOM 7217 H ALA B 219 156.197 201.699 230.347 1.00 0.00 0.164 HD +ATOM 7218 C PHE B 220 153.674 202.736 225.763 1.00 0.00 0.243 C +ATOM 7219 O PHE B 220 153.429 203.703 226.486 1.00 0.00 -0.272 OA +ATOM 7220 CA PHE B 220 154.381 201.501 226.314 1.00 0.00 0.175 C +ATOM 7221 N PHE B 220 155.230 201.792 227.463 1.00 0.00 -0.343 N +ATOM 7222 CB PHE B 220 153.352 200.438 226.698 1.00 0.00 0.070 C +ATOM 7223 CG PHE B 220 153.966 199.143 227.135 1.00 0.00 -0.045 A +ATOM 7224 CD1 PHE B 220 154.226 198.901 228.473 1.00 0.00 0.004 A +ATOM 7225 CD2 PHE B 220 154.305 198.173 226.206 1.00 0.00 0.004 A +ATOM 7226 CE1 PHE B 220 154.799 197.709 228.879 1.00 0.00 0.000 A +ATOM 7227 CE2 PHE B 220 154.878 196.979 226.604 1.00 0.00 0.000 A +ATOM 7228 CZ PHE B 220 155.127 196.747 227.943 1.00 0.00 0.000 A +ATOM 7229 H PHE B 220 154.795 202.028 228.166 1.00 0.00 0.164 HD +ATOM 7230 C THR B 221 151.503 203.347 222.977 1.00 0.00 0.245 C +ATOM 7231 O THR B 221 151.442 202.201 222.531 1.00 0.00 -0.273 OA +ATOM 7232 CA THR B 221 152.710 203.804 223.785 1.00 0.00 0.199 C +ATOM 7233 N THR B 221 153.348 202.688 224.474 1.00 0.00 -0.341 N +ATOM 7234 CB THR B 221 153.700 204.523 222.836 1.00 0.00 0.143 C +ATOM 7235 CG2 THR B 221 154.244 203.566 221.779 1.00 0.00 0.041 C +ATOM 7236 OG1 THR B 221 153.041 205.618 222.188 1.00 0.00 -0.389 OA +ATOM 7237 HG1 THR B 221 152.763 206.166 222.761 1.00 0.00 0.211 HD +ATOM 7238 H THR B 221 153.490 202.006 223.969 1.00 0.00 0.164 HD +ATOM 7239 C ASN B 222 149.598 204.577 220.531 1.00 0.00 0.242 C +ATOM 7240 O ASN B 222 148.768 204.363 219.648 1.00 0.00 -0.273 OA +ATOM 7241 CA ASN B 222 149.396 204.012 221.933 1.00 0.00 0.180 C +ATOM 7242 N ASN B 222 150.546 204.253 222.796 1.00 0.00 -0.342 N +ATOM 7243 CB ASN B 222 148.132 204.620 222.543 1.00 0.00 0.134 C +ATOM 7244 CG ASN B 222 147.657 203.866 223.764 1.00 0.00 0.220 C +ATOM 7245 OD1 ASN B 222 147.619 202.637 223.774 1.00 0.00 -0.275 OA +ATOM 7246 ND2 ASN B 222 147.302 204.600 224.809 1.00 0.00 -0.368 N +ATOM 7247 HD22 ASN B 222 147.024 204.219 225.528 1.00 0.00 0.159 HD +ATOM 7248 HD21 ASN B 222 147.349 205.458 224.767 1.00 0.00 0.159 HD +ATOM 7249 H ASN B 222 150.541 205.027 223.170 1.00 0.00 0.164 HD +ATOM 7250 C GLY B 223 151.838 204.994 218.183 1.00 0.00 0.239 C +ATOM 7251 O GLY B 223 153.050 205.176 218.050 1.00 0.00 -0.273 OA +ATOM 7252 CA GLY B 223 151.006 205.913 219.055 1.00 0.00 0.216 C +ATOM 7253 N GLY B 223 150.696 205.304 220.337 1.00 0.00 -0.346 N +ATOM 7254 H GLY B 223 151.284 205.460 220.945 1.00 0.00 0.164 HD +ATOM 7255 C LEU B 224 152.351 203.477 215.459 1.00 0.00 0.243 C +ATOM 7256 O LEU B 224 153.017 202.748 214.724 1.00 0.00 -0.272 OA +ATOM 7257 CA LEU B 224 151.865 202.974 216.815 1.00 0.00 0.172 C +ATOM 7258 N LEU B 224 151.180 204.009 217.579 1.00 0.00 -0.345 N +ATOM 7259 CB LEU B 224 150.944 201.769 216.629 1.00 0.00 0.038 C +ATOM 7260 CG LEU B 224 150.392 201.155 217.922 1.00 0.00 -0.015 C +ATOM 7261 CD1 LEU B 224 149.526 199.951 217.603 1.00 0.00 0.007 C +ATOM 7262 CD2 LEU B 224 151.509 200.767 218.886 1.00 0.00 0.007 C +ATOM 7263 H LEU B 224 150.325 203.918 217.597 1.00 0.00 0.165 HD +ATOM 7264 C GLY B 225 153.954 205.853 214.187 1.00 0.00 0.239 C +ATOM 7265 O GLY B 225 154.727 206.047 213.250 1.00 0.00 -0.273 OA +ATOM 7266 CA GLY B 225 152.540 205.358 213.940 1.00 0.00 0.216 C +ATOM 7267 N GLY B 225 152.008 204.716 215.127 1.00 0.00 -0.346 N +ATOM 7268 H GLY B 225 151.466 205.208 215.578 1.00 0.00 0.164 HD +ATOM 7269 C HIS B 226 156.138 207.672 215.100 1.00 0.00 0.242 C +ATOM 7270 O HIS B 226 157.237 207.639 214.546 1.00 0.00 -0.272 OA +ATOM 7271 CA HIS B 226 155.612 206.476 215.888 1.00 0.00 0.177 C +ATOM 7272 N HIS B 226 154.278 206.060 215.460 1.00 0.00 -0.343 N +ATOM 7273 CB HIS B 226 156.586 205.301 215.782 1.00 0.00 0.093 C +ATOM 7274 CG HIS B 226 156.419 204.290 216.871 1.00 0.00 0.061 A +ATOM 7275 ND1 HIS B 226 157.077 204.386 218.077 1.00 0.00 -0.242 NA +ATOM 7276 CD2 HIS B 226 155.660 203.172 216.945 1.00 0.00 0.107 A +ATOM 7277 CE1 HIS B 226 156.737 203.368 218.844 1.00 0.00 0.196 A +ATOM 7278 NE2 HIS B 226 155.877 202.616 218.181 1.00 0.00 -0.350 N +ATOM 7279 HE2 HIS B 226 155.514 201.895 218.476 1.00 0.00 0.167 HD +ATOM 7280 H HIS B 226 153.727 205.963 216.113 1.00 0.00 0.164 HD +ATOM 7281 C GLY B 227 154.624 210.889 214.105 1.00 0.00 0.239 C +ATOM 7282 O GLY B 227 153.604 210.903 214.794 1.00 0.00 -0.273 OA +ATOM 7283 CA GLY B 227 155.773 209.960 214.418 1.00 0.00 0.216 C +ATOM 7284 N GLY B 227 155.347 208.737 215.063 1.00 0.00 -0.346 N +ATOM 7285 H GLY B 227 154.559 208.772 215.405 1.00 0.00 0.164 HD +ATOM 7286 C VAL B 228 152.834 212.154 211.658 1.00 0.00 0.243 C +ATOM 7287 O VAL B 228 152.956 212.396 210.459 1.00 0.00 -0.272 OA +ATOM 7288 CA VAL B 228 153.841 212.693 212.672 1.00 0.00 0.173 C +ATOM 7289 N VAL B 228 154.798 211.665 213.045 1.00 0.00 -0.343 N +ATOM 7290 CB VAL B 228 154.560 213.924 212.097 1.00 0.00 0.015 C +ATOM 7291 CG1 VAL B 228 153.578 215.066 211.871 1.00 0.00 0.010 C +ATOM 7292 CG2 VAL B 228 155.684 214.364 213.034 1.00 0.00 0.010 C +ATOM 7293 H VAL B 228 155.474 211.614 212.516 1.00 0.00 0.164 HD +ATOM 7294 C ASP B 229 149.482 211.639 211.482 1.00 0.00 0.242 C +ATOM 7295 O ASP B 229 148.493 211.366 210.805 1.00 0.00 -0.273 OA +ATOM 7296 CA ASP B 229 150.789 210.867 211.303 1.00 0.00 0.176 C +ATOM 7297 N ASP B 229 151.847 211.408 212.150 1.00 0.00 -0.343 N +ATOM 7298 CB ASP B 229 150.571 209.378 211.594 1.00 0.00 0.087 C +ATOM 7299 CG ASP B 229 150.200 209.100 213.040 1.00 0.00 0.044 C +ATOM 7300 OD1 ASP B 229 149.996 210.052 213.818 1.00 0.00 -0.548 OA +ATOM 7301 OD2 ASP B 229 150.102 207.908 213.395 1.00 0.00 -0.549 OA +ATOM 7302 H ASP B 229 151.768 211.199 212.980 1.00 0.00 0.164 HD +ATOM 7303 C LEU B 230 147.145 212.613 213.179 1.00 0.00 0.243 C +ATOM 7304 O LEU B 230 145.986 212.909 212.880 1.00 0.00 -0.272 OA +ATOM 7305 CA LEU B 230 148.333 213.444 212.674 1.00 0.00 0.172 C +ATOM 7306 N LEU B 230 149.492 212.601 212.399 1.00 0.00 -0.345 N +ATOM 7307 CB LEU B 230 147.953 214.256 211.425 1.00 0.00 0.038 C +ATOM 7308 CG LEU B 230 148.513 215.685 211.395 1.00 0.00 -0.015 C +ATOM 7309 CD1 LEU B 230 150.033 215.701 211.537 1.00 0.00 0.007 C +ATOM 7310 CD2 LEU B 230 148.087 216.387 210.124 1.00 0.00 0.007 C +ATOM 7311 H LEU B 230 150.175 212.790 212.886 1.00 0.00 0.165 HD +ATOM 7312 C ASN B 231 145.654 211.603 215.652 1.00 0.00 0.242 C +ATOM 7313 O ASN B 231 144.525 211.284 216.023 1.00 0.00 -0.273 OA +ATOM 7314 CA ASN B 231 146.395 210.789 214.596 1.00 0.00 0.180 C +ATOM 7315 N ASN B 231 147.441 211.581 213.964 1.00 0.00 -0.342 N +ATOM 7316 CB ASN B 231 146.981 209.530 215.234 1.00 0.00 0.134 C +ATOM 7317 CG ASN B 231 147.790 209.827 216.480 1.00 0.00 0.220 C +ATOM 7318 OD1 ASN B 231 147.247 209.912 217.579 1.00 0.00 -0.275 OA +ATOM 7319 ND2 ASN B 231 149.096 209.985 216.314 1.00 0.00 -0.368 N +ATOM 7320 HD22 ASN B 231 149.598 210.155 216.992 1.00 0.00 0.159 HD +ATOM 7321 HD21 ASN B 231 149.441 209.917 215.530 1.00 0.00 0.159 HD +ATOM 7322 H ASN B 231 148.241 211.320 214.145 1.00 0.00 0.164 HD +ATOM 7323 C HIS B 232 144.578 214.387 216.515 1.00 0.00 0.242 C +ATOM 7324 O HIS B 232 143.844 215.068 217.229 1.00 0.00 -0.272 OA +ATOM 7325 CA HIS B 232 145.676 213.515 217.137 1.00 0.00 0.177 C +ATOM 7326 N HIS B 232 146.297 212.657 216.140 1.00 0.00 -0.343 N +ATOM 7327 CB HIS B 232 146.730 214.379 217.838 1.00 0.00 0.093 C +ATOM 7328 CG HIS B 232 147.449 215.334 216.937 1.00 0.00 0.061 A +ATOM 7329 ND1 HIS B 232 147.640 215.104 215.592 1.00 0.00 -0.242 NA +ATOM 7330 CD2 HIS B 232 148.040 216.524 217.200 1.00 0.00 0.107 A +ATOM 7331 CE1 HIS B 232 148.310 216.113 215.064 1.00 0.00 0.196 A +ATOM 7332 NE2 HIS B 232 148.566 216.987 216.019 1.00 0.00 -0.350 N +ATOM 7333 HE2 HIS B 232 148.991 217.728 215.918 1.00 0.00 0.167 HD +ATOM 7334 H HIS B 232 147.091 212.896 215.911 1.00 0.00 0.164 HD +ATOM 7335 C ILE B 233 142.396 213.937 213.917 1.00 0.00 0.243 C +ATOM 7336 O ILE B 233 141.179 214.094 214.038 1.00 0.00 -0.272 OA +ATOM 7337 CA ILE B 233 143.374 214.979 214.459 1.00 0.00 0.174 C +ATOM 7338 N ILE B 233 144.467 214.339 215.189 1.00 0.00 -0.343 N +ATOM 7339 CB ILE B 233 143.901 215.826 213.281 1.00 0.00 0.018 C +ATOM 7340 CG2 ILE B 233 142.747 216.298 212.378 1.00 0.00 0.010 C +ATOM 7341 CG1 ILE B 233 144.678 217.035 213.798 1.00 0.00 0.002 C +ATOM 7342 CD1 ILE B 233 145.460 217.757 212.721 1.00 0.00 0.004 C +ATOM 7343 H ILE B 233 145.026 213.933 214.678 1.00 0.00 0.164 HD +ATOM 7344 C TYR B 234 141.821 210.632 213.368 1.00 0.00 0.243 C +ATOM 7345 O TYR B 234 140.979 209.840 212.955 1.00 0.00 -0.272 OA +ATOM 7346 CA TYR B 234 142.123 211.908 212.588 1.00 0.00 0.175 C +ATOM 7347 N TYR B 234 142.934 212.875 213.323 1.00 0.00 -0.343 N +ATOM 7348 CB TYR B 234 142.818 211.534 211.280 1.00 0.00 0.070 C +ATOM 7349 CG TYR B 234 143.099 212.714 210.387 1.00 0.00 -0.045 A +ATOM 7350 CD1 TYR B 234 142.071 213.363 209.713 1.00 0.00 0.007 A +ATOM 7351 CD2 TYR B 234 144.393 213.181 210.214 1.00 0.00 0.007 A +ATOM 7352 CE1 TYR B 234 142.331 214.444 208.894 1.00 0.00 0.046 A +ATOM 7353 CE2 TYR B 234 144.658 214.257 209.401 1.00 0.00 0.046 A +ATOM 7354 CZ TYR B 234 143.629 214.883 208.743 1.00 0.00 0.115 A +ATOM 7355 OH TYR B 234 143.914 215.955 207.937 1.00 0.00 -0.507 OA +ATOM 7356 HH TYR B 234 143.207 216.252 207.594 1.00 0.00 0.294 HD +ATOM 7357 H TYR B 234 143.774 212.691 213.331 1.00 0.00 0.164 HD +ATOM 7358 C GLY B 235 143.394 208.176 214.944 1.00 0.00 0.239 C +ATOM 7359 O GLY B 235 143.867 208.077 213.810 1.00 0.00 -0.273 OA +ATOM 7360 CA GLY B 235 142.347 209.226 215.272 1.00 0.00 0.216 C +ATOM 7361 N GLY B 235 142.509 210.434 214.485 1.00 0.00 -0.346 N +ATOM 7362 H GLY B 235 143.080 210.990 214.809 1.00 0.00 0.164 HD +ATOM 7363 C GLU B 236 144.258 205.202 214.935 1.00 0.00 0.242 C +ATOM 7364 O GLU B 236 144.964 204.741 214.040 1.00 0.00 -0.273 OA +ATOM 7365 CA GLU B 236 144.761 206.350 215.808 1.00 0.00 0.171 C +ATOM 7366 N GLU B 236 143.749 207.388 215.951 1.00 0.00 -0.344 N +ATOM 7367 CB GLU B 236 145.173 205.833 217.191 1.00 0.00 0.041 C +ATOM 7368 CG GLU B 236 146.192 204.701 217.187 1.00 0.00 0.055 C +ATOM 7369 CD GLU B 236 147.596 205.144 216.805 1.00 0.00 0.041 C +ATOM 7370 OE1 GLU B 236 147.928 206.341 216.964 1.00 0.00 -0.548 OA +ATOM 7371 OE2 GLU B 236 148.374 204.282 216.349 1.00 0.00 -0.549 OA +ATOM 7372 H GLU B 236 143.412 207.435 216.740 1.00 0.00 0.164 HD +ATOM 7373 C THR B 237 141.500 204.050 213.379 1.00 0.00 0.245 C +ATOM 7374 O THR B 237 140.998 205.176 213.382 1.00 0.00 -0.273 OA +ATOM 7375 CA THR B 237 142.459 203.614 214.481 1.00 0.00 0.199 C +ATOM 7376 N THR B 237 143.035 204.751 215.195 1.00 0.00 -0.341 N +ATOM 7377 CB THR B 237 141.700 202.679 215.439 1.00 0.00 0.143 C +ATOM 7378 CG2 THR B 237 142.582 202.284 216.616 1.00 0.00 0.041 C +ATOM 7379 OG1 THR B 237 140.519 203.333 215.919 1.00 0.00 -0.389 OA +ATOM 7380 HG1 THR B 237 140.102 202.825 216.442 1.00 0.00 0.211 HD +ATOM 7381 H THR B 237 142.512 205.091 215.787 1.00 0.00 0.164 HD +ATOM 7382 C LEU B 238 138.897 203.584 211.907 1.00 0.00 0.243 C +ATOM 7383 O LEU B 238 138.120 204.394 211.408 1.00 0.00 -0.272 OA +ATOM 7384 CA LEU B 238 140.307 203.418 211.358 1.00 0.00 0.172 C +ATOM 7385 N LEU B 238 141.248 203.148 212.436 1.00 0.00 -0.345 N +ATOM 7386 CB LEU B 238 140.334 202.297 210.321 1.00 0.00 0.038 C +ATOM 7387 CG LEU B 238 139.342 202.458 209.164 1.00 0.00 -0.015 C +ATOM 7388 CD1 LEU B 238 139.663 203.701 208.348 1.00 0.00 0.007 C +ATOM 7389 CD2 LEU B 238 139.332 201.220 208.281 1.00 0.00 0.007 C +ATOM 7390 H LEU B 238 141.610 202.369 212.398 1.00 0.00 0.165 HD +ATOM 7391 C ALA B 239 136.978 204.272 214.094 1.00 0.00 0.243 C +ATOM 7392 O ALA B 239 135.888 204.812 213.902 1.00 0.00 -0.272 OA +ATOM 7393 CA ALA B 239 137.257 202.873 213.560 1.00 0.00 0.168 C +ATOM 7394 N ALA B 239 138.573 202.808 212.935 1.00 0.00 -0.344 N +ATOM 7395 CB ALA B 239 137.154 201.851 214.678 1.00 0.00 0.041 C +ATOM 7396 H ALA B 239 139.101 202.231 213.292 1.00 0.00 0.164 HD +ATOM 7397 C ARG B 240 137.743 207.232 214.216 1.00 0.00 0.242 C +ATOM 7398 O ARG B 240 136.942 208.161 214.282 1.00 0.00 -0.273 OA +ATOM 7399 CA ARG B 240 137.809 206.190 215.326 1.00 0.00 0.171 C +ATOM 7400 N ARG B 240 137.966 204.857 214.761 1.00 0.00 -0.344 N +ATOM 7401 CB ARG B 240 138.954 206.511 216.289 1.00 0.00 0.038 C +ATOM 7402 CG ARG B 240 138.776 207.831 217.031 1.00 0.00 0.040 C +ATOM 7403 CD ARG B 240 139.764 207.970 218.176 1.00 0.00 0.197 C +ATOM 7404 NE ARG B 240 139.652 209.265 218.844 1.00 0.00 -0.278 N +ATOM 7405 HE ARG B 240 140.146 209.906 218.554 1.00 0.00 0.260 HD +ATOM 7406 CZ ARG B 240 138.842 209.526 219.867 1.00 0.00 0.339 C +ATOM 7407 NH1 ARG B 240 138.052 208.582 220.364 1.00 0.00 -0.290 N +ATOM 7408 NH2 ARG B 240 138.820 210.740 220.396 1.00 0.00 -0.290 N +ATOM 7409 HH12 ARG B 240 138.060 207.792 220.025 1.00 0.00 0.256 HD +ATOM 7410 HH11 ARG B 240 137.532 208.761 221.025 1.00 0.00 0.256 HD +ATOM 7411 HH22 ARG B 240 139.329 211.356 220.079 1.00 0.00 0.256 HD +ATOM 7412 HH21 ARG B 240 138.298 210.911 221.057 1.00 0.00 0.256 HD +ATOM 7413 H ARG B 240 138.737 204.503 214.900 1.00 0.00 0.164 HD +ATOM 7414 C GLN B 241 137.188 208.034 211.419 1.00 0.00 0.242 C +ATOM 7415 O GLN B 241 136.729 209.111 211.043 1.00 0.00 -0.273 OA +ATOM 7416 CA GLN B 241 138.578 207.947 212.035 1.00 0.00 0.171 C +ATOM 7417 N GLN B 241 138.586 207.068 213.200 1.00 0.00 -0.343 N +ATOM 7418 CB GLN B 241 139.578 207.455 210.986 1.00 0.00 0.045 C +ATOM 7419 CG GLN B 241 139.628 208.294 209.712 1.00 0.00 0.102 C +ATOM 7420 CD GLN B 241 140.259 207.560 208.545 1.00 0.00 0.217 C +ATOM 7421 OE1 GLN B 241 139.587 207.242 207.564 1.00 0.00 -0.275 OA +ATOM 7422 NE2 GLN B 241 141.554 207.294 208.639 1.00 0.00 -0.368 N +ATOM 7423 HE22 GLN B 241 141.994 207.538 209.337 1.00 0.00 0.159 HD +ATOM 7424 HE21 GLN B 241 141.955 206.879 208.001 1.00 0.00 0.159 HD +ATOM 7425 H GLN B 241 139.179 206.447 213.161 1.00 0.00 0.164 HD +ATOM 7426 C ARG B 242 134.150 207.536 211.493 1.00 0.00 0.242 C +ATOM 7427 O ARG B 242 133.205 208.087 210.934 1.00 0.00 -0.273 OA +ATOM 7428 CA ARG B 242 135.221 206.818 210.679 1.00 0.00 0.171 C +ATOM 7429 N ARG B 242 136.524 206.889 211.319 1.00 0.00 -0.344 N +ATOM 7430 CB ARG B 242 134.830 205.361 210.452 1.00 0.00 0.038 C +ATOM 7431 CG ARG B 242 135.600 204.711 209.321 1.00 0.00 0.040 C +ATOM 7432 CD ARG B 242 135.194 203.271 209.121 1.00 0.00 0.197 C +ATOM 7433 NE ARG B 242 135.758 202.726 207.893 1.00 0.00 -0.278 N +ATOM 7434 HE ARG B 242 136.323 203.210 207.461 1.00 0.00 0.260 HD +ATOM 7435 CZ ARG B 242 135.460 201.530 207.396 1.00 0.00 0.339 C +ATOM 7436 NH1 ARG B 242 134.593 200.742 208.020 1.00 0.00 -0.290 N +ATOM 7437 NH2 ARG B 242 136.027 201.123 206.271 1.00 0.00 -0.290 N +ATOM 7438 HH12 ARG B 242 134.223 201.004 208.751 1.00 0.00 0.256 HD +ATOM 7439 HH11 ARG B 242 134.403 199.970 207.695 1.00 0.00 0.256 HD +ATOM 7440 HH22 ARG B 242 136.589 201.632 205.864 1.00 0.00 0.256 HD +ATOM 7441 HH21 ARG B 242 135.834 200.350 205.947 1.00 0.00 0.256 HD +ATOM 7442 H ARG B 242 136.811 206.135 211.617 1.00 0.00 0.164 HD +ATOM 7443 C LYS B 243 133.515 209.760 213.491 1.00 0.00 0.242 C +ATOM 7444 O LYS B 243 132.531 210.489 213.591 1.00 0.00 -0.273 OA +ATOM 7445 CA LYS B 243 133.393 208.253 213.688 1.00 0.00 0.171 C +ATOM 7446 N LYS B 243 134.305 207.531 212.812 1.00 0.00 -0.344 N +ATOM 7447 CB LYS B 243 133.664 207.906 215.150 1.00 0.00 0.035 C +ATOM 7448 CG LYS B 243 133.310 206.486 215.536 1.00 0.00 0.008 C +ATOM 7449 CD LYS B 243 133.653 206.225 216.990 1.00 0.00 0.061 C +ATOM 7450 CE LYS B 243 133.060 204.917 217.482 1.00 0.00 0.258 C +ATOM 7451 NZ LYS B 243 133.412 204.659 218.904 1.00 0.00 -0.357 N +ATOM 7452 HZ1 LYS B 243 133.055 203.889 219.171 1.00 0.00 0.345 HD +ATOM 7453 HZ2 LYS B 243 134.297 204.615 218.995 1.00 0.00 0.345 HD +ATOM 7454 HZ3 LYS B 243 133.101 205.316 219.418 1.00 0.00 0.345 HD +ATOM 7455 H LYS B 243 134.934 207.115 213.226 1.00 0.00 0.164 HD +ATOM 7456 C LEU B 244 134.742 212.234 211.754 1.00 0.00 0.243 C +ATOM 7457 O LEU B 244 134.528 213.437 211.618 1.00 0.00 -0.272 OA +ATOM 7458 CA LEU B 244 135.010 211.652 213.136 1.00 0.00 0.172 C +ATOM 7459 N LEU B 244 134.730 210.221 213.215 1.00 0.00 -0.345 N +ATOM 7460 CB LEU B 244 136.462 211.924 213.528 1.00 0.00 0.038 C +ATOM 7461 CG LEU B 244 136.837 211.608 214.977 1.00 0.00 -0.015 C +ATOM 7462 CD1 LEU B 244 138.335 211.787 215.185 1.00 0.00 0.007 C +ATOM 7463 CD2 LEU B 244 136.049 212.480 215.945 1.00 0.00 0.007 C +ATOM 7464 H LEU B 244 135.415 209.722 213.068 1.00 0.00 0.165 HD +ATOM 7465 C ARG B 245 133.127 212.105 209.015 1.00 0.00 0.242 C +ATOM 7466 O ARG B 245 132.219 211.540 209.625 1.00 0.00 -0.273 OA +ATOM 7467 CA ARG B 245 134.590 211.850 209.363 1.00 0.00 0.171 C +ATOM 7468 N ARG B 245 134.757 211.385 210.734 1.00 0.00 -0.344 N +ATOM 7469 CB ARG B 245 135.193 210.838 208.388 1.00 0.00 0.038 C +ATOM 7470 CG ARG B 245 136.705 210.949 208.249 1.00 0.00 0.040 C +ATOM 7471 CD ARG B 245 137.266 209.849 207.364 1.00 0.00 0.197 C +ATOM 7472 NE ARG B 245 136.793 209.940 205.986 1.00 0.00 -0.278 N +ATOM 7473 HE ARG B 245 136.314 210.620 205.769 1.00 0.00 0.260 HD +ATOM 7474 CZ ARG B 245 137.054 209.038 205.044 1.00 0.00 0.339 C +ATOM 7475 NH1 ARG B 245 137.785 207.967 205.325 1.00 0.00 -0.290 N +ATOM 7476 NH2 ARG B 245 136.584 209.205 203.818 1.00 0.00 -0.290 N +ATOM 7477 HH12 ARG B 245 138.094 207.853 206.119 1.00 0.00 0.256 HD +ATOM 7478 HH11 ARG B 245 137.951 207.387 204.712 1.00 0.00 0.256 HD +ATOM 7479 HH22 ARG B 245 136.109 209.896 203.630 1.00 0.00 0.256 HD +ATOM 7480 HH21 ARG B 245 136.753 208.620 203.210 1.00 0.00 0.256 HD +ATOM 7481 H ARG B 245 134.862 210.535 210.809 1.00 0.00 0.164 HD +ATOM 7482 C LEU B 246 131.163 212.466 206.383 1.00 0.00 0.243 C +ATOM 7483 O LEU B 246 129.978 212.264 206.131 1.00 0.00 -0.272 OA +ATOM 7484 CA LEU B 246 131.575 213.324 207.571 1.00 0.00 0.172 C +ATOM 7485 N LEU B 246 132.914 212.970 208.029 1.00 0.00 -0.345 N +ATOM 7486 CB LEU B 246 131.518 214.805 207.193 1.00 0.00 0.038 C +ATOM 7487 CG LEU B 246 130.152 215.345 206.767 1.00 0.00 -0.015 C +ATOM 7488 CD1 LEU B 246 129.151 215.252 207.910 1.00 0.00 0.007 C +ATOM 7489 CD2 LEU B 246 130.282 216.778 206.277 1.00 0.00 0.007 C +ATOM 7490 H LEU B 246 133.541 213.372 207.600 1.00 0.00 0.165 HD +ATOM 7491 C PHE B 247 131.195 211.906 203.386 1.00 0.00 0.243 C +ATOM 7492 O PHE B 247 130.537 211.309 202.537 1.00 0.00 -0.272 OA +ATOM 7493 CA PHE B 247 131.958 211.147 204.467 1.00 0.00 0.175 C +ATOM 7494 N PHE B 247 132.162 211.973 205.656 1.00 0.00 -0.343 N +ATOM 7495 CB PHE B 247 131.252 209.840 204.837 1.00 0.00 0.070 C +ATOM 7496 CG PHE B 247 132.112 208.919 205.648 1.00 0.00 -0.045 A +ATOM 7497 CD1 PHE B 247 133.186 208.269 205.063 1.00 0.00 0.004 A +ATOM 7498 CD2 PHE B 247 131.872 208.726 206.996 1.00 0.00 0.004 A +ATOM 7499 CE1 PHE B 247 133.997 207.433 205.803 1.00 0.00 0.000 A +ATOM 7500 CE2 PHE B 247 132.678 207.889 207.742 1.00 0.00 0.000 A +ATOM 7501 CZ PHE B 247 133.744 207.243 207.142 1.00 0.00 0.000 A +ATOM 7502 H PHE B 247 132.992 212.108 205.838 1.00 0.00 0.164 HD +ATOM 7503 C LYS B 248 132.070 215.032 202.030 1.00 0.00 0.242 C +ATOM 7504 O LYS B 248 132.576 215.714 202.919 1.00 0.00 -0.273 OA +ATOM 7505 CA LYS B 248 130.905 214.100 202.343 1.00 0.00 0.171 C +ATOM 7506 N LYS B 248 131.308 213.229 203.436 1.00 0.00 -0.344 N +ATOM 7507 CB LYS B 248 129.652 214.905 202.703 1.00 0.00 0.035 C +ATOM 7508 CG LYS B 248 129.350 216.054 201.739 1.00 0.00 0.008 C +ATOM 7509 CD LYS B 248 128.098 216.824 202.133 1.00 0.00 0.061 C +ATOM 7510 CE LYS B 248 127.892 218.035 201.230 1.00 0.00 0.258 C +ATOM 7511 NZ LYS B 248 126.801 218.927 201.709 1.00 0.00 -0.357 N +ATOM 7512 HZ1 LYS B 248 126.711 219.620 201.158 1.00 0.00 0.345 HD +ATOM 7513 HZ2 LYS B 248 126.033 218.480 201.740 1.00 0.00 0.345 HD +ATOM 7514 HZ3 LYS B 248 126.992 219.229 202.525 1.00 0.00 0.345 HD +ATOM 7515 H LYS B 248 131.625 213.655 204.112 1.00 0.00 0.164 HD +ATOM 7516 C ASP B 249 134.871 215.779 201.064 1.00 0.00 0.242 C +ATOM 7517 O ASP B 249 135.667 216.712 201.149 1.00 0.00 -0.273 OA +ATOM 7518 CA ASP B 249 133.546 215.952 200.312 1.00 0.00 0.176 C +ATOM 7519 N ASP B 249 132.504 215.037 200.774 1.00 0.00 -0.343 N +ATOM 7520 CB ASP B 249 133.066 217.403 200.440 1.00 0.00 0.087 C +ATOM 7521 CG ASP B 249 131.836 217.689 199.597 1.00 0.00 0.044 C +ATOM 7522 OD1 ASP B 249 131.654 217.019 198.558 1.00 0.00 -0.548 OA +ATOM 7523 OD2 ASP B 249 131.054 218.587 199.971 1.00 0.00 -0.549 OA +ATOM 7524 H ASP B 249 132.208 214.513 200.160 1.00 0.00 0.164 HD +ATOM 7525 C GLY B 250 136.523 214.949 203.625 1.00 0.00 0.239 C +ATOM 7526 O GLY B 250 137.599 214.893 204.219 1.00 0.00 -0.273 OA +ATOM 7527 CA GLY B 250 136.352 214.276 202.276 1.00 0.00 0.216 C +ATOM 7528 N GLY B 250 135.101 214.585 201.604 1.00 0.00 -0.346 N +ATOM 7529 H GLY B 250 134.540 213.933 201.593 1.00 0.00 0.164 HD +ATOM 7530 C LYS B 251 135.367 215.701 206.619 1.00 0.00 0.242 C +ATOM 7531 O LYS B 251 134.943 214.548 206.664 1.00 0.00 -0.273 OA +ATOM 7532 CA LYS B 251 135.558 216.429 205.294 1.00 0.00 0.171 C +ATOM 7533 N LYS B 251 135.459 215.571 204.121 1.00 0.00 -0.344 N +ATOM 7534 CB LYS B 251 134.538 217.562 205.191 1.00 0.00 0.035 C +ATOM 7535 CG LYS B 251 134.801 218.501 204.030 1.00 0.00 0.008 C +ATOM 7536 CD LYS B 251 133.893 219.711 204.083 1.00 0.00 0.061 C +ATOM 7537 CE LYS B 251 134.240 220.699 202.990 1.00 0.00 0.258 C +ATOM 7538 NZ LYS B 251 133.342 221.880 203.008 1.00 0.00 -0.357 N +ATOM 7539 HZ1 LYS B 251 133.567 222.443 202.357 1.00 0.00 0.345 HD +ATOM 7540 HZ2 LYS B 251 132.498 221.622 202.888 1.00 0.00 0.345 HD +ATOM 7541 HZ3 LYS B 251 133.407 222.300 203.790 1.00 0.00 0.345 HD +ATOM 7542 H LYS B 251 134.665 215.511 203.795 1.00 0.00 0.164 HD +ATOM 7543 C MET B 252 134.259 216.570 209.624 1.00 0.00 0.242 C +ATOM 7544 O MET B 252 133.931 217.704 209.276 1.00 0.00 -0.272 OA +ATOM 7545 CA MET B 252 135.510 215.927 209.050 1.00 0.00 0.172 C +ATOM 7546 N MET B 252 135.706 216.405 207.692 1.00 0.00 -0.344 N +ATOM 7547 CB MET B 252 136.726 216.263 209.917 1.00 0.00 0.046 C +ATOM 7548 CG MET B 252 138.016 215.588 209.478 1.00 0.00 0.072 C +ATOM 7549 SD MET B 252 138.291 214.005 210.295 1.00 0.00 -0.165 SA +ATOM 7550 CE MET B 252 138.710 214.550 211.948 1.00 0.00 0.085 C +ATOM 7551 H MET B 252 136.062 217.187 207.655 1.00 0.00 0.164 HD +ATOM 7552 C LYS B 253 132.689 217.680 211.879 1.00 0.00 0.242 C +ATOM 7553 O LYS B 253 133.828 217.905 212.284 1.00 0.00 -0.273 OA +ATOM 7554 CA LYS B 253 132.364 216.393 211.137 1.00 0.00 0.171 C +ATOM 7555 N LYS B 253 133.557 215.853 210.498 1.00 0.00 -0.344 N +ATOM 7556 CB LYS B 253 131.754 215.380 212.105 1.00 0.00 0.035 C +ATOM 7557 CG LYS B 253 130.996 214.251 211.431 1.00 0.00 0.008 C +ATOM 7558 CD LYS B 253 130.189 213.471 212.445 1.00 0.00 0.061 C +ATOM 7559 CE LYS B 253 129.082 212.666 211.791 1.00 0.00 0.258 C +ATOM 7560 NZ LYS B 253 128.092 212.181 212.791 1.00 0.00 -0.357 N +ATOM 7561 HZ1 LYS B 253 127.454 211.712 212.384 1.00 0.00 0.345 HD +ATOM 7562 HZ2 LYS B 253 128.495 211.661 213.390 1.00 0.00 0.345 HD +ATOM 7563 HZ3 LYS B 253 127.720 212.872 213.211 1.00 0.00 0.345 HD +ATOM 7564 H LYS B 253 133.752 215.050 210.737 1.00 0.00 0.164 HD +ATOM 7565 C TYR B 254 130.534 220.355 213.221 1.00 0.00 0.243 C +ATOM 7566 O TYR B 254 129.466 219.871 212.852 1.00 0.00 -0.272 OA +ATOM 7567 CA TYR B 254 131.860 219.776 212.767 1.00 0.00 0.175 C +ATOM 7568 N TYR B 254 131.681 218.526 212.048 1.00 0.00 -0.343 N +ATOM 7569 CB TYR B 254 132.595 220.800 211.896 1.00 0.00 0.070 C +ATOM 7570 CG TYR B 254 131.887 221.150 210.605 1.00 0.00 -0.045 A +ATOM 7571 CD1 TYR B 254 130.962 222.184 210.553 1.00 0.00 0.007 A +ATOM 7572 CD2 TYR B 254 132.157 220.455 209.437 1.00 0.00 0.007 A +ATOM 7573 CE1 TYR B 254 130.322 222.509 209.373 1.00 0.00 0.046 A +ATOM 7574 CE2 TYR B 254 131.524 220.772 208.256 1.00 0.00 0.046 A +ATOM 7575 CZ TYR B 254 130.609 221.798 208.228 1.00 0.00 0.115 A +ATOM 7576 OH TYR B 254 129.980 222.109 207.048 1.00 0.00 -0.507 OA +ATOM 7577 HH TYR B 254 130.249 221.599 206.436 1.00 0.00 0.294 HD +ATOM 7578 H TYR B 254 130.882 218.398 211.756 1.00 0.00 0.164 HD +ATOM 7579 C GLN B 255 129.677 223.611 214.031 1.00 0.00 0.242 C +ATOM 7580 O GLN B 255 130.808 224.044 213.817 1.00 0.00 -0.273 OA +ATOM 7581 CA GLN B 255 129.480 222.169 214.468 1.00 0.00 0.171 C +ATOM 7582 N GLN B 255 130.630 221.397 214.036 1.00 0.00 -0.343 N +ATOM 7583 CB GLN B 255 129.307 222.082 215.985 1.00 0.00 0.045 C +ATOM 7584 CG GLN B 255 128.912 220.704 216.480 1.00 0.00 0.102 C +ATOM 7585 CD GLN B 255 128.694 220.662 217.978 1.00 0.00 0.217 C +ATOM 7586 OE1 GLN B 255 127.564 220.536 218.448 1.00 0.00 -0.275 OA +ATOM 7587 NE2 GLN B 255 129.779 220.764 218.737 1.00 0.00 -0.368 N +ATOM 7588 HE22 GLN B 255 130.553 220.848 218.372 1.00 0.00 0.159 HD +ATOM 7589 HE21 GLN B 255 129.707 220.746 219.594 1.00 0.00 0.159 HD +ATOM 7590 H GLN B 255 131.373 221.683 214.360 1.00 0.00 0.164 HD +ATOM 7591 C ILE B 256 128.081 226.476 214.879 1.00 0.00 0.243 C +ATOM 7592 O ILE B 256 126.883 226.433 215.140 1.00 0.00 -0.272 OA +ATOM 7593 CA ILE B 256 128.633 225.776 213.649 1.00 0.00 0.174 C +ATOM 7594 N ILE B 256 128.576 224.338 213.874 1.00 0.00 -0.343 N +ATOM 7595 CB ILE B 256 127.841 226.213 212.404 1.00 0.00 0.018 C +ATOM 7596 CG2 ILE B 256 127.925 227.732 212.225 1.00 0.00 0.010 C +ATOM 7597 CG1 ILE B 256 128.364 225.500 211.152 1.00 0.00 0.002 C +ATOM 7598 CD1 ILE B 256 129.814 225.805 210.812 1.00 0.00 0.004 C +ATOM 7599 H ILE B 256 127.777 224.019 213.894 1.00 0.00 0.164 HD +ATOM 7600 C ILE B 257 129.018 229.264 216.748 1.00 0.00 0.243 C +ATOM 7601 O ILE B 257 130.190 229.565 216.529 1.00 0.00 -0.272 OA +ATOM 7602 CA ILE B 257 128.597 227.807 216.857 1.00 0.00 0.174 C +ATOM 7603 N ILE B 257 128.970 227.105 215.638 1.00 0.00 -0.343 N +ATOM 7604 CB ILE B 257 129.237 227.156 218.093 1.00 0.00 0.018 C +ATOM 7605 CG2 ILE B 257 128.965 227.980 219.345 1.00 0.00 0.010 C +ATOM 7606 CG1 ILE B 257 128.686 225.741 218.281 1.00 0.00 0.002 C +ATOM 7607 CD1 ILE B 257 129.618 224.817 219.031 1.00 0.00 0.004 C +ATOM 7608 H ILE B 257 129.811 227.140 215.463 1.00 0.00 0.164 HD +ATOM 7609 C ASP B 258 128.991 231.881 215.420 1.00 0.00 0.242 C +ATOM 7610 O ASP B 258 129.938 232.663 215.382 1.00 0.00 -0.273 OA +ATOM 7611 CA ASP B 258 128.254 231.591 216.726 1.00 0.00 0.176 C +ATOM 7612 N ASP B 258 128.045 230.158 216.905 1.00 0.00 -0.343 N +ATOM 7613 CB ASP B 258 129.013 232.175 217.919 1.00 0.00 0.087 C +ATOM 7614 CG ASP B 258 128.171 232.214 219.185 1.00 0.00 0.044 C +ATOM 7615 OD1 ASP B 258 126.938 232.043 219.091 1.00 0.00 -0.548 OA +ATOM 7616 OD2 ASP B 258 128.741 232.428 220.274 1.00 0.00 -0.549 OA +ATOM 7617 H ASP B 258 127.238 229.954 217.119 1.00 0.00 0.164 HD +ATOM 7618 C GLY B 259 130.320 230.853 212.606 1.00 0.00 0.239 C +ATOM 7619 O GLY B 259 130.745 230.996 211.461 1.00 0.00 -0.273 OA +ATOM 7620 CA GLY B 259 129.022 231.524 213.016 1.00 0.00 0.216 C +ATOM 7621 N GLY B 259 128.548 231.226 214.354 1.00 0.00 -0.346 N +ATOM 7622 H GLY B 259 127.964 230.595 214.383 1.00 0.00 0.164 HD +ATOM 7623 C GLU B 260 132.298 228.016 213.417 1.00 0.00 0.242 C +ATOM 7624 O GLU B 260 131.469 227.434 214.110 1.00 0.00 -0.273 OA +ATOM 7625 CA GLU B 260 132.267 229.534 213.257 1.00 0.00 0.171 C +ATOM 7626 N GLU B 260 130.952 230.119 213.521 1.00 0.00 -0.344 N +ATOM 7627 CB GLU B 260 133.314 230.162 214.176 1.00 0.00 0.041 C +ATOM 7628 CG GLU B 260 133.483 231.658 213.975 1.00 0.00 0.055 C +ATOM 7629 CD GLU B 260 134.824 232.160 214.469 1.00 0.00 0.041 C +ATOM 7630 OE1 GLU B 260 135.854 231.813 213.853 1.00 0.00 -0.548 OA +ATOM 7631 OE2 GLU B 260 134.851 232.896 215.476 1.00 0.00 -0.549 OA +ATOM 7632 H GLU B 260 130.640 229.945 214.304 1.00 0.00 0.164 HD +ATOM 7633 C MET B 261 134.128 225.427 214.013 1.00 0.00 0.242 C +ATOM 7634 O MET B 261 135.203 225.912 214.360 1.00 0.00 -0.272 OA +ATOM 7635 CA MET B 261 133.403 225.937 212.772 1.00 0.00 0.172 C +ATOM 7636 N MET B 261 133.277 227.390 212.772 1.00 0.00 -0.344 N +ATOM 7637 CB MET B 261 134.140 225.470 211.514 1.00 0.00 0.046 C +ATOM 7638 CG MET B 261 134.350 223.963 211.441 1.00 0.00 0.072 C +ATOM 7639 SD MET B 261 135.262 223.447 209.977 1.00 0.00 -0.165 SA +ATOM 7640 CE MET B 261 134.098 223.869 208.685 1.00 0.00 0.085 C +ATOM 7641 H MET B 261 133.890 227.791 212.321 1.00 0.00 0.164 HD +ATOM 7642 C TYR B 262 134.032 222.280 215.673 1.00 0.00 0.243 C +ATOM 7643 O TYR B 262 133.290 221.778 214.830 1.00 0.00 -0.272 OA +ATOM 7644 CA TYR B 262 134.106 223.794 215.836 1.00 0.00 0.175 C +ATOM 7645 N TYR B 262 133.520 224.445 214.671 1.00 0.00 -0.343 N +ATOM 7646 CB TYR B 262 133.388 224.228 217.113 1.00 0.00 0.070 C +ATOM 7647 CG TYR B 262 133.744 225.622 217.569 1.00 0.00 -0.045 A +ATOM 7648 CD1 TYR B 262 132.978 226.717 217.190 1.00 0.00 0.007 A +ATOM 7649 CD2 TYR B 262 134.844 225.842 218.382 1.00 0.00 0.007 A +ATOM 7650 CE1 TYR B 262 133.303 227.991 217.610 1.00 0.00 0.046 A +ATOM 7651 CE2 TYR B 262 135.176 227.110 218.805 1.00 0.00 0.046 A +ATOM 7652 CZ TYR B 262 134.405 228.181 218.418 1.00 0.00 0.115 A +ATOM 7653 OH TYR B 262 134.743 229.445 218.843 1.00 0.00 -0.507 OA +ATOM 7654 HH TYR B 262 135.430 229.413 219.324 1.00 0.00 0.294 HD +ATOM 7655 H TYR B 262 132.748 224.132 214.456 1.00 0.00 0.164 HD +ATOM 7656 C PRO B 263 133.364 219.559 216.842 1.00 0.00 0.243 C +ATOM 7657 O PRO B 263 132.652 220.270 217.551 1.00 0.00 -0.271 OA +ATOM 7658 CA PRO B 263 134.720 220.080 216.378 1.00 0.00 0.175 C +ATOM 7659 N PRO B 263 134.812 221.541 216.473 1.00 0.00 -0.329 N +ATOM 7660 CB PRO B 263 135.848 219.586 217.294 1.00 0.00 0.037 C +ATOM 7661 CG PRO B 263 136.256 220.756 218.116 1.00 0.00 0.024 C +ATOM 7662 CD PRO B 263 135.914 221.980 217.344 1.00 0.00 0.121 C +ATOM 7663 C PRO B 264 131.783 217.216 218.258 1.00 0.00 0.243 C +ATOM 7664 O PRO B 264 132.820 217.348 218.908 1.00 0.00 -0.271 OA +ATOM 7665 CA PRO B 264 131.737 217.718 216.822 1.00 0.00 0.175 C +ATOM 7666 N PRO B 264 133.012 218.328 216.440 1.00 0.00 -0.329 N +ATOM 7667 CB PRO B 264 131.599 216.564 215.832 1.00 0.00 0.037 C +ATOM 7668 CG PRO B 264 133.008 216.139 215.596 1.00 0.00 0.024 C +ATOM 7669 CD PRO B 264 133.842 217.399 215.652 1.00 0.00 0.121 C +ATOM 7670 C THR B 265 130.796 214.652 220.195 1.00 0.00 0.245 C +ATOM 7671 O THR B 265 130.745 213.950 219.186 1.00 0.00 -0.273 OA +ATOM 7672 CA THR B 265 130.622 216.163 220.114 1.00 0.00 0.199 C +ATOM 7673 N THR B 265 130.686 216.643 218.740 1.00 0.00 -0.341 N +ATOM 7674 CB THR B 265 129.285 216.532 220.781 1.00 0.00 0.143 C +ATOM 7675 CG2 THR B 265 129.043 218.030 220.703 1.00 0.00 0.041 C +ATOM 7676 OG1 THR B 265 128.215 215.833 220.133 1.00 0.00 -0.389 OA +ATOM 7677 HG1 THR B 265 127.483 216.031 220.493 1.00 0.00 0.211 HD +ATOM 7678 H THR B 265 129.963 216.521 218.290 1.00 0.00 0.164 HD +ATOM 7679 C VAL B 266 129.719 212.088 221.278 1.00 0.00 0.243 C +ATOM 7680 O VAL B 266 129.718 210.991 220.722 1.00 0.00 -0.272 OA +ATOM 7681 CA VAL B 266 131.036 212.741 221.691 1.00 0.00 0.173 C +ATOM 7682 N VAL B 266 131.006 214.168 221.413 1.00 0.00 -0.343 N +ATOM 7683 CB VAL B 266 131.304 212.475 223.188 1.00 0.00 0.015 C +ATOM 7684 CG1 VAL B 266 131.150 210.992 223.526 1.00 0.00 0.010 C +ATOM 7685 CG2 VAL B 266 132.691 212.967 223.565 1.00 0.00 0.010 C +ATOM 7686 H VAL B 266 131.137 214.658 222.108 1.00 0.00 0.164 HD +ATOM 7687 C LYS B 267 127.129 211.985 219.743 1.00 0.00 0.242 C +ATOM 7688 O LYS B 267 126.725 210.897 219.339 1.00 0.00 -0.273 OA +ATOM 7689 CA LYS B 267 127.278 212.255 221.232 1.00 0.00 0.171 C +ATOM 7690 N LYS B 267 128.608 212.767 221.557 1.00 0.00 -0.344 N +ATOM 7691 CB LYS B 267 126.198 213.247 221.688 1.00 0.00 0.035 C +ATOM 7692 CG LYS B 267 124.779 212.978 221.145 1.00 0.00 0.008 C +ATOM 7693 CD LYS B 267 123.883 212.321 222.173 1.00 0.00 0.061 C +ATOM 7694 CE LYS B 267 122.963 213.337 222.830 1.00 0.00 0.258 C +ATOM 7695 NZ LYS B 267 122.177 212.730 223.935 1.00 0.00 -0.357 N +ATOM 7696 HZ1 LYS B 267 121.647 213.344 224.303 1.00 0.00 0.345 HD +ATOM 7697 HZ2 LYS B 267 121.675 212.065 223.622 1.00 0.00 0.345 HD +ATOM 7698 HZ3 LYS B 267 122.726 212.410 224.558 1.00 0.00 0.345 HD +ATOM 7699 H LYS B 267 128.599 213.538 221.939 1.00 0.00 0.164 HD +ATOM 7700 C ASP B 268 128.180 211.925 216.819 1.00 0.00 0.242 C +ATOM 7701 O ASP B 268 127.801 211.254 215.859 1.00 0.00 -0.273 OA +ATOM 7702 CA ASP B 268 127.229 212.911 217.496 1.00 0.00 0.176 C +ATOM 7703 N ASP B 268 127.444 212.989 218.934 1.00 0.00 -0.343 N +ATOM 7704 CB ASP B 268 127.380 214.304 216.877 1.00 0.00 0.087 C +ATOM 7705 CG ASP B 268 127.062 214.325 215.399 1.00 0.00 0.044 C +ATOM 7706 OD1 ASP B 268 125.871 214.210 215.039 1.00 0.00 -0.548 OA +ATOM 7707 OD2 ASP B 268 128.001 214.475 214.595 1.00 0.00 -0.549 OA +ATOM 7708 H ASP B 268 127.787 213.732 219.197 1.00 0.00 0.164 HD +ATOM 7709 C THR B 269 130.498 209.582 217.304 1.00 0.00 0.245 C +ATOM 7710 O THR B 269 130.835 208.630 216.603 1.00 0.00 -0.273 OA +ATOM 7711 CA THR B 269 130.434 210.987 216.711 1.00 0.00 0.199 C +ATOM 7712 N THR B 269 129.408 211.830 217.325 1.00 0.00 -0.341 N +ATOM 7713 CB THR B 269 131.837 211.611 216.850 1.00 0.00 0.143 C +ATOM 7714 CG2 THR B 269 131.873 212.997 216.236 1.00 0.00 0.041 C +ATOM 7715 OG1 THR B 269 132.198 211.687 218.236 1.00 0.00 -0.389 OA +ATOM 7716 HG1 THR B 269 131.644 212.162 218.651 1.00 0.00 0.211 HD +ATOM 7717 H THR B 269 129.675 212.247 218.028 1.00 0.00 0.164 HD +ATOM 7718 C GLN B 270 131.844 207.946 219.587 1.00 0.00 0.242 C +ATOM 7719 O GLN B 270 132.211 206.838 219.967 1.00 0.00 -0.273 OA +ATOM 7720 CA GLN B 270 130.361 208.239 219.372 1.00 0.00 0.171 C +ATOM 7721 N GLN B 270 130.174 209.469 218.591 1.00 0.00 -0.343 N +ATOM 7722 CB GLN B 270 129.675 207.035 218.709 1.00 0.00 0.045 C +ATOM 7723 CG GLN B 270 128.164 207.142 218.655 1.00 0.00 0.102 C +ATOM 7724 CD GLN B 270 127.541 207.261 220.033 1.00 0.00 0.217 C +ATOM 7725 OE1 GLN B 270 126.593 208.022 220.233 1.00 0.00 -0.275 OA +ATOM 7726 NE2 GLN B 270 128.069 206.509 220.993 1.00 0.00 -0.368 N +ATOM 7727 HE22 GLN B 270 128.730 205.988 220.816 1.00 0.00 0.159 HD +ATOM 7728 HE21 GLN B 270 127.749 206.543 221.790 1.00 0.00 0.159 HD +ATOM 7729 H GLN B 270 129.832 210.111 219.050 1.00 0.00 0.164 HD +ATOM 7730 C ALA B 271 134.417 209.219 221.061 1.00 0.00 0.243 C +ATOM 7731 O ALA B 271 134.204 210.363 221.459 1.00 0.00 -0.272 OA +ATOM 7732 CA ALA B 271 134.116 208.829 219.617 1.00 0.00 0.168 C +ATOM 7733 N ALA B 271 132.687 208.949 219.356 1.00 0.00 -0.344 N +ATOM 7734 CB ALA B 271 134.907 209.695 218.653 1.00 0.00 0.041 C +ATOM 7735 H ALA B 271 132.453 209.717 219.046 1.00 0.00 0.164 HD +ATOM 7736 C GLU B 272 136.177 209.577 223.518 1.00 0.00 0.242 C +ATOM 7737 O GLU B 272 137.116 209.762 222.742 1.00 0.00 -0.273 OA +ATOM 7738 CA GLU B 272 135.149 208.478 223.264 1.00 0.00 0.171 C +ATOM 7739 N GLU B 272 134.907 208.263 221.841 1.00 0.00 -0.344 N +ATOM 7740 CB GLU B 272 135.611 207.176 223.925 1.00 0.00 0.041 C +ATOM 7741 CG GLU B 272 134.509 206.138 224.093 1.00 0.00 0.055 C +ATOM 7742 CD GLU B 272 134.966 204.918 224.868 1.00 0.00 0.041 C +ATOM 7743 OE1 GLU B 272 134.100 204.125 225.293 1.00 0.00 -0.548 OA +ATOM 7744 OE2 GLU B 272 136.190 204.751 225.052 1.00 0.00 -0.549 OA +ATOM 7745 H GLU B 272 135.109 207.472 221.569 1.00 0.00 0.164 HD +ATOM 7746 C MET B 273 137.043 211.286 226.567 1.00 0.00 0.242 C +ATOM 7747 O MET B 273 136.165 210.781 227.261 1.00 0.00 -0.272 OA +ATOM 7748 CA MET B 273 136.898 211.345 225.051 1.00 0.00 0.172 C +ATOM 7749 N MET B 273 135.976 210.306 224.611 1.00 0.00 -0.344 N +ATOM 7750 CB MET B 273 136.408 212.731 224.632 1.00 0.00 0.046 C +ATOM 7751 CG MET B 273 136.414 212.994 223.129 1.00 0.00 0.072 C +ATOM 7752 SD MET B 273 138.048 213.280 222.414 1.00 0.00 -0.165 SA +ATOM 7753 CE MET B 273 138.615 214.708 223.331 1.00 0.00 0.085 C +ATOM 7754 H MET B 273 135.293 210.215 225.126 1.00 0.00 0.164 HD +ATOM 7755 C ILE B 274 137.795 213.209 229.032 1.00 0.00 0.243 C +ATOM 7756 O ILE B 274 138.338 214.281 228.770 1.00 0.00 -0.272 OA +ATOM 7757 CA ILE B 274 138.370 211.897 228.511 1.00 0.00 0.174 C +ATOM 7758 N ILE B 274 138.157 211.802 227.074 1.00 0.00 -0.343 N +ATOM 7759 CB ILE B 274 139.866 211.814 228.876 1.00 0.00 0.018 C +ATOM 7760 CG2 ILE B 274 140.048 211.756 230.385 1.00 0.00 0.010 C +ATOM 7761 CG1 ILE B 274 140.518 210.600 228.204 1.00 0.00 0.002 C +ATOM 7762 CD1 ILE B 274 139.855 209.276 228.519 1.00 0.00 0.004 C +ATOM 7763 H ILE B 274 138.809 212.106 226.603 1.00 0.00 0.164 HD +ATOM 7764 C TYR B 275 135.595 213.989 231.781 1.00 0.00 0.243 C +ATOM 7765 O TYR B 275 135.059 212.915 232.046 1.00 0.00 -0.272 OA +ATOM 7766 CA TYR B 275 136.058 214.287 230.359 1.00 0.00 0.175 C +ATOM 7767 N TYR B 275 136.690 213.116 229.766 1.00 0.00 -0.343 N +ATOM 7768 CB TYR B 275 134.866 214.747 229.518 1.00 0.00 0.070 C +ATOM 7769 CG TYR B 275 135.236 215.547 228.289 1.00 0.00 -0.045 A +ATOM 7770 CD1 TYR B 275 135.761 216.828 228.403 1.00 0.00 0.007 A +ATOM 7771 CD2 TYR B 275 135.044 215.029 227.017 1.00 0.00 0.007 A +ATOM 7772 CE1 TYR B 275 136.094 217.564 227.285 1.00 0.00 0.046 A +ATOM 7773 CE2 TYR B 275 135.374 215.761 225.895 1.00 0.00 0.046 A +ATOM 7774 CZ TYR B 275 135.897 217.026 226.036 1.00 0.00 0.115 A +ATOM 7775 OH TYR B 275 136.226 217.756 224.923 1.00 0.00 -0.507 OA +ATOM 7776 HH TYR B 275 136.057 217.313 224.229 1.00 0.00 0.294 HD +ATOM 7777 H TYR B 275 136.284 212.377 229.936 1.00 0.00 0.164 HD +ATOM 7778 C PRO B 276 133.688 214.852 233.978 1.00 0.00 0.243 C +ATOM 7779 O PRO B 276 133.167 215.488 233.062 1.00 0.00 -0.271 OA +ATOM 7780 CA PRO B 276 135.213 214.749 234.035 1.00 0.00 0.175 C +ATOM 7781 N PRO B 276 135.806 214.936 232.708 1.00 0.00 -0.329 N +ATOM 7782 CB PRO B 276 135.822 215.886 234.860 1.00 0.00 0.037 C +ATOM 7783 CG PRO B 276 136.287 216.890 233.868 1.00 0.00 0.024 C +ATOM 7784 CD PRO B 276 136.672 216.126 232.649 1.00 0.00 0.121 C +ATOM 7785 C PRO B 277 130.870 215.607 234.874 1.00 0.00 0.243 C +ATOM 7786 O PRO B 277 129.756 215.739 234.366 1.00 0.00 -0.271 OA +ATOM 7787 CA PRO B 277 131.511 214.221 234.946 1.00 0.00 0.175 C +ATOM 7788 N PRO B 277 132.980 214.236 234.940 1.00 0.00 -0.329 N +ATOM 7789 CB PRO B 277 131.173 213.552 236.283 1.00 0.00 0.037 C +ATOM 7790 CG PRO B 277 132.356 212.736 236.610 1.00 0.00 0.024 C +ATOM 7791 CD PRO B 277 133.539 213.474 236.070 1.00 0.00 0.121 C +ATOM 7792 C GLN B 278 130.693 218.538 234.078 1.00 0.00 0.242 C +ATOM 7793 O GLN B 278 129.674 219.206 233.899 1.00 0.00 -0.273 OA +ATOM 7794 CA GLN B 278 131.019 217.971 235.455 1.00 0.00 0.171 C +ATOM 7795 N GLN B 278 131.567 216.620 235.378 1.00 0.00 -0.343 N +ATOM 7796 CB GLN B 278 132.000 218.905 236.167 1.00 0.00 0.045 C +ATOM 7797 CG GLN B 278 132.508 218.383 237.502 1.00 0.00 0.102 C +ATOM 7798 CD GLN B 278 133.840 217.672 237.384 1.00 0.00 0.217 C +ATOM 7799 OE1 GLN B 278 133.939 216.471 237.635 1.00 0.00 -0.275 OA +ATOM 7800 NE2 GLN B 278 134.876 218.412 237.008 1.00 0.00 -0.368 N +ATOM 7801 HE22 GLN B 278 134.769 219.250 236.846 1.00 0.00 0.159 HD +ATOM 7802 HE21 GLN B 278 135.654 218.054 236.926 1.00 0.00 0.159 HD +ATOM 7803 H GLN B 278 132.367 216.550 235.685 1.00 0.00 0.164 HD +ATOM 7804 C VAL B 279 130.067 218.354 231.169 1.00 0.00 0.243 C +ATOM 7805 O VAL B 279 129.805 217.157 231.071 1.00 0.00 -0.272 OA +ATOM 7806 CA VAL B 279 131.402 218.798 231.760 1.00 0.00 0.173 C +ATOM 7807 N VAL B 279 131.566 218.274 233.112 1.00 0.00 -0.343 N +ATOM 7808 CB VAL B 279 132.534 218.330 230.827 1.00 0.00 0.015 C +ATOM 7809 CG1 VAL B 279 132.396 218.975 229.451 1.00 0.00 0.010 C +ATOM 7810 CG2 VAL B 279 133.896 218.653 231.430 1.00 0.00 0.010 C +ATOM 7811 H VAL B 279 132.269 217.790 233.216 1.00 0.00 0.164 HD +ATOM 7812 C PRO B 280 128.186 218.269 228.762 1.00 0.00 0.243 C +ATOM 7813 O PRO B 280 129.139 218.632 228.075 1.00 0.00 -0.271 OA +ATOM 7814 CA PRO B 280 127.958 218.885 230.140 1.00 0.00 0.175 C +ATOM 7815 N PRO B 280 129.212 219.310 230.770 1.00 0.00 -0.329 N +ATOM 7816 CB PRO B 280 127.153 220.185 230.045 1.00 0.00 0.037 C +ATOM 7817 CG PRO B 280 128.164 221.259 230.044 1.00 0.00 0.024 C +ATOM 7818 CD PRO B 280 129.294 220.775 230.899 1.00 0.00 0.121 C +ATOM 7819 C GLU B 281 127.732 217.490 225.913 1.00 0.00 0.242 C +ATOM 7820 O GLU B 281 128.684 217.217 225.182 1.00 0.00 -0.273 OA +ATOM 7821 CA GLU B 281 127.402 216.614 227.120 1.00 0.00 0.171 C +ATOM 7822 N GLU B 281 127.309 217.345 228.383 1.00 0.00 -0.344 N +ATOM 7823 CB GLU B 281 126.086 215.881 226.857 1.00 0.00 0.041 C +ATOM 7824 CG GLU B 281 125.877 214.645 227.711 1.00 0.00 0.055 C +ATOM 7825 CD GLU B 281 126.437 213.393 227.066 1.00 0.00 0.041 C +ATOM 7826 OE1 GLU B 281 125.633 212.527 226.661 1.00 0.00 -0.548 OA +ATOM 7827 OE2 GLU B 281 127.677 213.275 226.964 1.00 0.00 -0.549 OA +ATOM 7828 H GLU B 281 126.628 217.115 228.856 1.00 0.00 0.164 HD +ATOM 7829 C HIS B 282 128.381 220.125 224.433 1.00 0.00 0.242 C +ATOM 7830 O HIS B 282 128.699 220.711 223.399 1.00 0.00 -0.272 OA +ATOM 7831 CA HIS B 282 127.055 219.363 224.509 1.00 0.00 0.177 C +ATOM 7832 N HIS B 282 126.942 218.539 225.710 1.00 0.00 -0.343 N +ATOM 7833 CB HIS B 282 125.884 220.345 224.432 1.00 0.00 0.093 C +ATOM 7834 CG HIS B 282 125.750 221.225 225.634 1.00 0.00 0.061 A +ATOM 7835 ND1 HIS B 282 126.399 222.435 225.748 1.00 0.00 -0.242 NA +ATOM 7836 CD2 HIS B 282 125.043 221.068 226.778 1.00 0.00 0.107 A +ATOM 7837 CE1 HIS B 282 126.096 222.986 226.910 1.00 0.00 0.196 A +ATOM 7838 NE2 HIS B 282 125.275 222.177 227.554 1.00 0.00 -0.350 N +ATOM 7839 HE2 HIS B 282 124.940 222.321 228.333 1.00 0.00 0.167 HD +ATOM 7840 H HIS B 282 126.328 218.797 226.255 1.00 0.00 0.164 HD +ATOM 7841 C LEU B 283 131.593 219.718 225.384 1.00 0.00 0.243 C +ATOM 7842 O LEU B 283 132.767 220.084 225.346 1.00 0.00 -0.272 OA +ATOM 7843 CA LEU B 283 130.469 220.742 225.533 1.00 0.00 0.172 C +ATOM 7844 N LEU B 283 129.148 220.115 225.519 1.00 0.00 -0.345 N +ATOM 7845 CB LEU B 283 130.668 221.545 226.821 1.00 0.00 0.038 C +ATOM 7846 CG LEU B 283 129.891 222.864 226.933 1.00 0.00 -0.015 C +ATOM 7847 CD1 LEU B 283 130.200 223.555 228.255 1.00 0.00 0.007 C +ATOM 7848 CD2 LEU B 283 130.202 223.796 225.770 1.00 0.00 0.007 C +ATOM 7849 H LEU B 283 128.926 219.751 226.266 1.00 0.00 0.165 HD +ATOM 7850 C ARG B 284 132.669 217.234 223.699 1.00 0.00 0.242 C +ATOM 7851 O ARG B 284 132.207 216.344 222.989 1.00 0.00 -0.273 OA +ATOM 7852 CA ARG B 284 132.238 217.389 225.156 1.00 0.00 0.171 C +ATOM 7853 N ARG B 284 131.237 218.441 225.293 1.00 0.00 -0.344 N +ATOM 7854 CB ARG B 284 131.700 216.067 225.707 1.00 0.00 0.038 C +ATOM 7855 CG ARG B 284 131.468 216.117 227.208 1.00 0.00 0.040 C +ATOM 7856 CD ARG B 284 131.040 214.787 227.786 1.00 0.00 0.197 C +ATOM 7857 NE ARG B 284 130.806 214.895 229.224 1.00 0.00 -0.278 N +ATOM 7858 HE ARG B 284 130.722 215.683 229.556 1.00 0.00 0.260 HD +ATOM 7859 CZ ARG B 284 130.714 213.861 230.054 1.00 0.00 0.339 C +ATOM 7860 NH1 ARG B 284 130.842 212.621 229.603 1.00 0.00 -0.290 N +ATOM 7861 NH2 ARG B 284 130.500 214.071 231.346 1.00 0.00 -0.290 N +ATOM 7862 HH12 ARG B 284 130.982 212.481 228.766 1.00 0.00 0.256 HD +ATOM 7863 HH11 ARG B 284 130.783 211.957 230.146 1.00 0.00 0.256 HD +ATOM 7864 HH22 ARG B 284 130.417 214.873 231.643 1.00 0.00 0.256 HD +ATOM 7865 HH21 ARG B 284 130.441 213.404 231.885 1.00 0.00 0.256 HD +ATOM 7866 H ARG B 284 130.426 218.158 225.308 1.00 0.00 0.164 HD +ATOM 7867 C PHE B 285 134.894 216.827 221.660 1.00 0.00 0.243 C +ATOM 7868 O PHE B 285 135.632 216.366 222.530 1.00 0.00 -0.272 OA +ATOM 7869 CA PHE B 285 134.084 218.095 221.910 1.00 0.00 0.175 C +ATOM 7870 N PHE B 285 133.554 218.124 223.266 1.00 0.00 -0.343 N +ATOM 7871 CB PHE B 285 134.956 219.329 221.655 1.00 0.00 0.070 C +ATOM 7872 CG PHE B 285 134.180 220.614 221.527 1.00 0.00 -0.045 A +ATOM 7873 CD1 PHE B 285 133.065 220.693 220.712 1.00 0.00 0.004 A +ATOM 7874 CD2 PHE B 285 134.575 221.745 222.221 1.00 0.00 0.004 A +ATOM 7875 CE1 PHE B 285 132.358 221.873 220.593 1.00 0.00 0.000 A +ATOM 7876 CE2 PHE B 285 133.869 222.927 222.106 1.00 0.00 0.000 A +ATOM 7877 CZ PHE B 285 132.760 222.991 221.291 1.00 0.00 0.000 A +ATOM 7878 H PHE B 285 133.868 218.765 223.747 1.00 0.00 0.164 HD +ATOM 7879 C ALA B 286 136.460 215.332 218.968 1.00 0.00 0.243 C +ATOM 7880 O ALA B 286 136.118 215.873 217.917 1.00 0.00 -0.272 OA +ATOM 7881 CA ALA B 286 135.446 215.055 220.072 1.00 0.00 0.168 C +ATOM 7882 N ALA B 286 134.750 216.276 220.459 1.00 0.00 -0.344 N +ATOM 7883 CB ALA B 286 134.453 214.004 219.624 1.00 0.00 0.041 C +ATOM 7884 H ALA B 286 134.246 216.597 219.840 1.00 0.00 0.164 HD +ATOM 7885 C VAL B 287 139.655 213.864 218.246 1.00 0.00 0.243 C +ATOM 7886 O VAL B 287 139.393 212.920 218.992 1.00 0.00 -0.272 OA +ATOM 7887 CA VAL B 287 138.783 215.117 218.250 1.00 0.00 0.173 C +ATOM 7888 N VAL B 287 137.712 214.969 219.226 1.00 0.00 -0.343 N +ATOM 7889 CB VAL B 287 139.645 216.364 218.540 1.00 0.00 0.015 C +ATOM 7890 CG1 VAL B 287 138.809 217.633 218.385 1.00 0.00 0.010 C +ATOM 7891 CG2 VAL B 287 140.254 216.291 219.933 1.00 0.00 0.010 C +ATOM 7892 H VAL B 287 137.970 214.628 219.972 1.00 0.00 0.164 HD +ATOM 7893 C GLY B 288 142.109 212.173 218.541 1.00 0.00 0.239 C +ATOM 7894 O GLY B 288 141.959 210.993 218.850 1.00 0.00 -0.273 OA +ATOM 7895 CA GLY B 288 141.546 212.705 217.235 1.00 0.00 0.216 C +ATOM 7896 N GLY B 288 140.680 213.860 217.399 1.00 0.00 -0.346 N +ATOM 7897 H GLY B 288 140.895 214.527 216.900 1.00 0.00 0.164 HD +ATOM 7898 C GLN B 289 142.313 212.719 221.713 1.00 0.00 0.242 C +ATOM 7899 O GLN B 289 141.631 213.725 221.907 1.00 0.00 -0.273 OA +ATOM 7900 CA GLN B 289 143.340 212.674 220.586 1.00 0.00 0.171 C +ATOM 7901 N GLN B 289 142.742 213.050 219.310 1.00 0.00 -0.343 N +ATOM 7902 CB GLN B 289 144.517 213.596 220.911 1.00 0.00 0.045 C +ATOM 7903 CG GLN B 289 145.837 212.872 221.108 1.00 0.00 0.102 C +ATOM 7904 CD GLN B 289 145.953 212.221 222.468 1.00 0.00 0.217 C +ATOM 7905 OE1 GLN B 289 144.967 211.742 223.027 1.00 0.00 -0.275 OA +ATOM 7906 NE2 GLN B 289 147.165 212.205 223.013 1.00 0.00 -0.368 N +ATOM 7907 HE22 GLN B 289 147.830 212.553 222.593 1.00 0.00 0.159 HD +ATOM 7908 HE21 GLN B 289 147.284 211.846 223.785 1.00 0.00 0.159 HD +ATOM 7909 H GLN B 289 142.841 213.882 219.113 1.00 0.00 0.164 HD +ATOM 7910 C GLU B 290 141.419 212.436 224.685 1.00 0.00 0.242 C +ATOM 7911 O GLU B 290 140.476 212.686 225.437 1.00 0.00 -0.273 OA +ATOM 7912 CA GLU B 290 141.233 211.466 223.516 1.00 0.00 0.171 C +ATOM 7913 N GLU B 290 142.228 211.623 222.459 1.00 0.00 -0.344 N +ATOM 7914 CB GLU B 290 141.263 210.031 224.053 1.00 0.00 0.041 C +ATOM 7915 CG GLU B 290 140.776 208.973 223.072 1.00 0.00 0.055 C +ATOM 7916 CD GLU B 290 141.853 208.500 222.102 1.00 0.00 0.041 C +ATOM 7917 OE1 GLU B 290 142.865 209.213 221.915 1.00 0.00 -0.548 OA +ATOM 7918 OE2 GLU B 290 141.684 207.404 221.525 1.00 0.00 -0.549 OA +ATOM 7919 H GLU B 290 142.746 210.942 222.370 1.00 0.00 0.164 HD +ATOM 7920 C VAL B 291 142.888 215.285 225.776 1.00 0.00 0.243 C +ATOM 7921 O VAL B 291 143.092 216.071 226.699 1.00 0.00 -0.272 OA +ATOM 7922 CA VAL B 291 142.958 213.779 226.015 1.00 0.00 0.173 C +ATOM 7923 N VAL B 291 142.625 212.977 224.838 1.00 0.00 -0.343 N +ATOM 7924 CB VAL B 291 144.379 213.447 226.535 1.00 0.00 0.015 C +ATOM 7925 CG1 VAL B 291 144.529 211.948 226.745 1.00 0.00 0.010 C +ATOM 7926 CG2 VAL B 291 145.452 213.961 225.573 1.00 0.00 0.010 C +ATOM 7927 H VAL B 291 143.269 212.896 224.274 1.00 0.00 0.164 HD +ATOM 7928 C PHE B 292 141.624 217.979 224.724 1.00 0.00 0.243 C +ATOM 7929 O PHE B 292 141.620 219.187 224.503 1.00 0.00 -0.272 OA +ATOM 7930 CA PHE B 292 142.738 217.096 224.165 1.00 0.00 0.175 C +ATOM 7931 N PHE B 292 142.605 215.692 224.544 1.00 0.00 -0.343 N +ATOM 7932 CB PHE B 292 142.797 217.229 222.640 1.00 0.00 0.070 C +ATOM 7933 CG PHE B 292 144.164 216.974 222.050 1.00 0.00 -0.045 A +ATOM 7934 CD1 PHE B 292 145.228 216.567 222.840 1.00 0.00 0.004 A +ATOM 7935 CD2 PHE B 292 144.383 217.156 220.697 1.00 0.00 0.004 A +ATOM 7936 CE1 PHE B 292 146.473 216.346 222.292 1.00 0.00 0.000 A +ATOM 7937 CE2 PHE B 292 145.626 216.933 220.145 1.00 0.00 0.000 A +ATOM 7938 CZ PHE B 292 146.673 216.528 220.943 1.00 0.00 0.000 A +ATOM 7939 H PHE B 292 142.334 215.178 223.910 1.00 0.00 0.164 HD +ATOM 7940 C GLY B 293 140.289 218.672 227.502 1.00 0.00 0.239 C +ATOM 7941 O GLY B 293 139.647 219.455 228.202 1.00 0.00 -0.273 OA +ATOM 7942 CA GLY B 293 139.710 218.145 226.199 1.00 0.00 0.216 C +ATOM 7943 N GLY B 293 140.696 217.381 225.463 1.00 0.00 -0.346 N +ATOM 7944 H GLY B 293 140.619 216.529 225.552 1.00 0.00 0.164 HD +ATOM 7945 C LEU B 294 142.266 220.135 229.237 1.00 0.00 0.243 C +ATOM 7946 O LEU B 294 141.866 220.652 230.280 1.00 0.00 -0.272 OA +ATOM 7947 CA LEU B 294 142.194 218.624 229.054 1.00 0.00 0.172 C +ATOM 7948 N LEU B 294 141.506 218.238 227.822 1.00 0.00 -0.345 N +ATOM 7949 CB LEU B 294 143.608 218.035 229.067 1.00 0.00 0.038 C +ATOM 7950 CG LEU B 294 144.498 218.353 230.273 1.00 0.00 -0.015 C +ATOM 7951 CD1 LEU B 294 143.870 217.856 231.566 1.00 0.00 0.007 C +ATOM 7952 CD2 LEU B 294 145.887 217.750 230.084 1.00 0.00 0.007 C +ATOM 7953 H LEU B 294 141.966 217.705 227.327 1.00 0.00 0.165 HD +ATOM 7954 C VAL B 295 142.345 222.953 227.022 1.00 0.00 0.243 C +ATOM 7955 O VAL B 295 142.462 222.393 225.935 1.00 0.00 -0.272 OA +ATOM 7956 CA VAL B 295 142.876 222.293 228.295 1.00 0.00 0.173 C +ATOM 7957 N VAL B 295 142.771 220.839 228.229 1.00 0.00 -0.343 N +ATOM 7958 CB VAL B 295 144.328 222.748 228.523 1.00 0.00 0.015 C +ATOM 7959 CG1 VAL B 295 144.722 222.540 229.966 1.00 0.00 0.010 C +ATOM 7960 CG2 VAL B 295 145.275 222.019 227.590 1.00 0.00 0.010 C +ATOM 7961 H VAL B 295 143.061 220.498 227.494 1.00 0.00 0.164 HD +ATOM 7962 C PRO B 296 142.289 225.232 224.962 1.00 0.00 0.243 C +ATOM 7963 O PRO B 296 141.968 225.411 223.787 1.00 0.00 -0.271 OA +ATOM 7964 CA PRO B 296 141.223 224.886 225.995 1.00 0.00 0.175 C +ATOM 7965 N PRO B 296 141.755 224.155 227.153 1.00 0.00 -0.329 N +ATOM 7966 CB PRO B 296 140.645 226.162 226.622 1.00 0.00 0.037 C +ATOM 7967 CG PRO B 296 140.408 225.819 228.037 1.00 0.00 0.024 C +ATOM 7968 CD PRO B 296 141.481 224.868 228.413 1.00 0.00 0.121 C +ATOM 7969 C GLY B 297 144.850 224.517 223.502 1.00 0.00 0.239 C +ATOM 7970 O GLY B 297 145.192 224.766 222.346 1.00 0.00 -0.273 OA +ATOM 7971 CA GLY B 297 144.643 225.628 224.510 1.00 0.00 0.216 C +ATOM 7972 N GLY B 297 143.539 225.332 225.404 1.00 0.00 -0.346 N +ATOM 7973 H GLY B 297 143.772 225.230 226.225 1.00 0.00 0.164 HD +ATOM 7974 C LEU B 298 143.531 222.108 222.117 1.00 0.00 0.243 C +ATOM 7975 O LEU B 298 143.663 221.857 220.918 1.00 0.00 -0.272 OA +ATOM 7976 CA LEU B 298 144.733 222.137 223.047 1.00 0.00 0.172 C +ATOM 7977 N LEU B 298 144.648 223.281 223.941 1.00 0.00 -0.345 N +ATOM 7978 CB LEU B 298 144.816 220.833 223.841 1.00 0.00 0.038 C +ATOM 7979 CG LEU B 298 146.133 220.573 224.572 1.00 0.00 -0.015 C +ATOM 7980 CD1 LEU B 298 146.002 219.346 225.461 1.00 0.00 0.007 C +ATOM 7981 CD2 LEU B 298 147.279 220.403 223.586 1.00 0.00 0.007 C +ATOM 7982 H LEU B 298 144.458 223.079 224.756 1.00 0.00 0.165 HD +ATOM 7983 C MET B 299 141.143 223.478 220.866 1.00 0.00 0.242 C +ATOM 7984 O MET B 299 140.498 223.377 219.824 1.00 0.00 -0.272 OA +ATOM 7985 CA MET B 299 141.130 222.352 221.898 1.00 0.00 0.172 C +ATOM 7986 N MET B 299 142.357 222.369 222.677 1.00 0.00 -0.344 N +ATOM 7987 CB MET B 299 139.915 222.465 222.819 1.00 0.00 0.046 C +ATOM 7988 CG MET B 299 138.582 222.155 222.149 1.00 0.00 0.072 C +ATOM 7989 SD MET B 299 138.510 220.532 221.362 1.00 0.00 -0.165 SA +ATOM 7990 CE MET B 299 138.835 219.457 222.751 1.00 0.00 0.085 C +ATOM 7991 H MET B 299 142.244 222.560 223.508 1.00 0.00 0.164 HD +ATOM 7992 C MET B 300 142.767 225.134 218.940 1.00 0.00 0.242 C +ATOM 7993 O MET B 300 142.279 225.323 217.829 1.00 0.00 -0.272 OA +ATOM 7994 CA MET B 300 142.058 225.629 220.194 1.00 0.00 0.172 C +ATOM 7995 N MET B 300 141.891 224.541 221.150 1.00 0.00 -0.344 N +ATOM 7996 CB MET B 300 142.849 226.785 220.814 1.00 0.00 0.046 C +ATOM 7997 CG MET B 300 143.059 227.975 219.875 1.00 0.00 0.072 C +ATOM 7998 SD MET B 300 144.362 229.099 220.417 1.00 0.00 -0.165 SA +ATOM 7999 CE MET B 300 145.812 228.069 220.193 1.00 0.00 0.085 C +ATOM 8000 H MET B 300 142.312 224.655 221.891 1.00 0.00 0.164 HD +ATOM 8001 C TYR B 301 143.954 222.896 217.258 1.00 0.00 0.243 C +ATOM 8002 O TYR B 301 144.020 222.793 216.034 1.00 0.00 -0.272 OA +ATOM 8003 CA TYR B 301 144.694 224.013 217.982 1.00 0.00 0.175 C +ATOM 8004 N TYR B 301 143.925 224.506 219.118 1.00 0.00 -0.343 N +ATOM 8005 CB TYR B 301 146.074 223.528 218.429 1.00 0.00 0.070 C +ATOM 8006 CG TYR B 301 147.111 224.623 218.452 1.00 0.00 -0.045 A +ATOM 8007 CD1 TYR B 301 147.555 225.202 217.273 1.00 0.00 0.007 A +ATOM 8008 CD2 TYR B 301 147.644 225.080 219.647 1.00 0.00 0.007 A +ATOM 8009 CE1 TYR B 301 148.497 226.205 217.282 1.00 0.00 0.046 A +ATOM 8010 CE2 TYR B 301 148.590 226.084 219.666 1.00 0.00 0.046 A +ATOM 8011 CZ TYR B 301 149.013 226.642 218.480 1.00 0.00 0.115 A +ATOM 8012 OH TYR B 301 149.956 227.640 218.492 1.00 0.00 -0.507 OA +ATOM 8013 HH TYR B 301 150.184 227.810 219.282 1.00 0.00 0.294 HD +ATOM 8014 H TYR B 301 144.286 224.352 219.883 1.00 0.00 0.164 HD +ATOM 8015 C ALA B 302 141.369 221.646 216.536 1.00 0.00 0.243 C +ATOM 8016 O ALA B 302 141.116 221.172 215.428 1.00 0.00 -0.272 OA +ATOM 8017 CA ALA B 302 142.431 221.016 217.429 1.00 0.00 0.168 C +ATOM 8018 N ALA B 302 143.252 222.064 218.016 1.00 0.00 -0.344 N +ATOM 8019 CB ALA B 302 141.789 220.169 218.508 1.00 0.00 0.041 C +ATOM 8020 H ALA B 302 143.235 222.085 218.876 1.00 0.00 0.164 HD +ATOM 8021 C THR B 303 140.424 224.046 214.989 1.00 0.00 0.245 C +ATOM 8022 O THR B 303 139.890 223.892 213.892 1.00 0.00 -0.273 OA +ATOM 8023 CA THR B 303 139.784 223.475 216.251 1.00 0.00 0.199 C +ATOM 8024 N THR B 303 140.762 222.723 217.025 1.00 0.00 -0.341 N +ATOM 8025 CB THR B 303 139.168 224.621 217.082 1.00 0.00 0.143 C +ATOM 8026 CG2 THR B 303 138.231 225.477 216.237 1.00 0.00 0.041 C +ATOM 8027 OG1 THR B 303 138.433 224.072 218.182 1.00 0.00 -0.389 OA +ATOM 8028 HG1 THR B 303 138.944 223.619 218.672 1.00 0.00 0.211 HD +ATOM 8029 H THR B 303 140.902 223.041 217.812 1.00 0.00 0.164 HD +ATOM 8030 C ILE B 304 142.617 224.294 212.954 1.00 0.00 0.243 C +ATOM 8031 O ILE B 304 142.379 224.527 211.768 1.00 0.00 -0.272 OA +ATOM 8032 CA ILE B 304 142.267 225.317 214.029 1.00 0.00 0.174 C +ATOM 8033 N ILE B 304 141.573 224.694 215.151 1.00 0.00 -0.343 N +ATOM 8034 CB ILE B 304 143.555 226.036 214.492 1.00 0.00 0.018 C +ATOM 8035 CG2 ILE B 304 144.414 226.452 213.287 1.00 0.00 0.010 C +ATOM 8036 CG1 ILE B 304 143.194 227.267 215.326 1.00 0.00 0.002 C +ATOM 8037 CD1 ILE B 304 144.381 228.018 215.899 1.00 0.00 0.004 C +ATOM 8038 H ILE B 304 141.974 224.787 215.906 1.00 0.00 0.164 HD +ATOM 8039 C TRP B 305 142.403 221.459 211.759 1.00 0.00 0.242 C +ATOM 8040 O TRP B 305 142.480 221.067 210.598 1.00 0.00 -0.272 OA +ATOM 8041 CA TRP B 305 143.604 222.138 212.420 1.00 0.00 0.175 C +ATOM 8042 N TRP B 305 143.183 223.164 213.368 1.00 0.00 -0.343 N +ATOM 8043 CB TRP B 305 144.494 221.092 213.107 1.00 0.00 0.072 C +ATOM 8044 CG TRP B 305 145.917 221.541 213.293 1.00 0.00 -0.020 A +ATOM 8045 CD1 TRP B 305 146.526 221.873 214.469 1.00 0.00 0.087 A +ATOM 8046 CD2 TRP B 305 146.906 221.713 212.270 1.00 0.00 0.003 A +ATOM 8047 NE1 TRP B 305 147.831 222.238 214.242 1.00 0.00 -0.359 N +ATOM 8048 CE2 TRP B 305 148.088 222.149 212.899 1.00 0.00 0.046 A +ATOM 8049 CE3 TRP B 305 146.907 221.540 210.883 1.00 0.00 0.010 A +ATOM 8050 HE1 TRP B 305 148.394 222.483 214.844 1.00 0.00 0.166 HD +ATOM 8051 CZ2 TRP B 305 149.257 222.414 212.190 1.00 0.00 0.026 A +ATOM 8052 CZ3 TRP B 305 148.068 221.803 210.182 1.00 0.00 0.001 A +ATOM 8053 CH2 TRP B 305 149.227 222.236 210.836 1.00 0.00 0.002 A +ATOM 8054 H TRP B 305 143.334 222.968 214.191 1.00 0.00 0.164 HD +ATOM 8055 C LEU B 306 139.593 221.682 210.760 1.00 0.00 0.243 C +ATOM 8056 O LEU B 306 139.227 221.197 209.689 1.00 0.00 -0.272 OA +ATOM 8057 CA LEU B 306 140.070 220.790 211.903 1.00 0.00 0.172 C +ATOM 8058 N LEU B 306 141.301 221.324 212.488 1.00 0.00 -0.345 N +ATOM 8059 CB LEU B 306 138.968 220.666 212.956 1.00 0.00 0.038 C +ATOM 8060 CG LEU B 306 137.619 220.154 212.435 1.00 0.00 -0.015 C +ATOM 8061 CD1 LEU B 306 137.682 218.668 212.134 1.00 0.00 0.007 C +ATOM 8062 CD2 LEU B 306 136.505 220.453 213.416 1.00 0.00 0.007 C +ATOM 8063 H LEU B 306 141.236 221.531 213.320 1.00 0.00 0.165 HD +ATOM 8064 C ARG B 307 140.103 223.867 208.764 1.00 0.00 0.242 C +ATOM 8065 O ARG B 307 139.638 223.960 207.628 1.00 0.00 -0.273 OA +ATOM 8066 CA ARG B 307 139.197 223.954 209.986 1.00 0.00 0.171 C +ATOM 8067 N ARG B 307 139.594 222.987 211.001 1.00 0.00 -0.344 N +ATOM 8068 CB ARG B 307 139.225 225.370 210.559 1.00 0.00 0.038 C +ATOM 8069 CG ARG B 307 138.212 225.605 211.662 1.00 0.00 0.040 C +ATOM 8070 CD ARG B 307 138.437 226.946 212.333 1.00 0.00 0.197 C +ATOM 8071 NE ARG B 307 137.467 227.205 213.391 1.00 0.00 -0.278 N +ATOM 8072 HE ARG B 307 136.918 226.576 213.597 1.00 0.00 0.260 HD +ATOM 8073 CZ ARG B 307 137.360 228.360 214.039 1.00 0.00 0.339 C +ATOM 8074 NH1 ARG B 307 138.160 229.373 213.736 1.00 0.00 -0.290 N +ATOM 8075 NH2 ARG B 307 136.448 228.504 214.991 1.00 0.00 -0.290 N +ATOM 8076 HH12 ARG B 307 138.753 229.282 213.119 1.00 0.00 0.256 HD +ATOM 8077 HH11 ARG B 307 138.087 230.119 214.157 1.00 0.00 0.256 HD +ATOM 8078 HH22 ARG B 307 135.927 227.849 215.189 1.00 0.00 0.256 HD +ATOM 8079 HH21 ARG B 307 136.378 229.252 215.409 1.00 0.00 0.256 HD +ATOM 8080 H ARG B 307 139.823 223.342 211.750 1.00 0.00 0.164 HD +ATOM 8081 C GLU B 308 142.064 222.355 207.033 1.00 0.00 0.242 C +ATOM 8082 O GLU B 308 142.149 222.447 205.810 1.00 0.00 -0.273 OA +ATOM 8083 CA GLU B 308 142.361 223.565 207.916 1.00 0.00 0.171 C +ATOM 8084 N GLU B 308 141.398 223.684 209.003 1.00 0.00 -0.344 N +ATOM 8085 CB GLU B 308 143.788 223.475 208.468 1.00 0.00 0.041 C +ATOM 8086 CG GLU B 308 144.869 223.278 207.406 1.00 0.00 0.055 C +ATOM 8087 CD GLU B 308 144.967 224.435 206.429 1.00 0.00 0.041 C +ATOM 8088 OE1 GLU B 308 144.408 225.515 206.712 1.00 0.00 -0.548 OA +ATOM 8089 OE2 GLU B 308 145.610 224.262 205.374 1.00 0.00 -0.549 OA +ATOM 8090 H GLU B 308 141.745 223.626 209.788 1.00 0.00 0.164 HD +ATOM 8091 C HIS B 309 140.232 220.274 205.929 1.00 0.00 0.242 C +ATOM 8092 O HIS B 309 140.286 219.943 204.746 1.00 0.00 -0.272 OA +ATOM 8093 CA HIS B 309 141.412 220.030 206.861 1.00 0.00 0.177 C +ATOM 8094 N HIS B 309 141.721 221.223 207.642 1.00 0.00 -0.343 N +ATOM 8095 CB HIS B 309 141.097 218.831 207.755 1.00 0.00 0.093 C +ATOM 8096 CG HIS B 309 140.587 217.648 206.993 1.00 0.00 0.061 A +ATOM 8097 ND1 HIS B 309 141.422 216.768 206.340 1.00 0.00 -0.242 NA +ATOM 8098 CD2 HIS B 309 139.326 217.226 206.742 1.00 0.00 0.107 A +ATOM 8099 CE1 HIS B 309 140.699 215.841 205.739 1.00 0.00 0.196 A +ATOM 8100 NE2 HIS B 309 139.424 216.097 205.965 1.00 0.00 -0.350 N +ATOM 8101 HE2 HIS B 309 138.761 215.630 205.677 1.00 0.00 0.167 HD +ATOM 8102 H HIS B 309 141.659 221.120 208.494 1.00 0.00 0.164 HD +ATOM 8103 C ASN B 310 138.203 222.221 204.659 1.00 0.00 0.242 C +ATOM 8104 O ASN B 310 137.587 222.235 203.594 1.00 0.00 -0.273 OA +ATOM 8105 CA ASN B 310 137.969 221.103 205.671 1.00 0.00 0.180 C +ATOM 8106 N ASN B 310 139.161 220.848 206.466 1.00 0.00 -0.342 N +ATOM 8107 CB ASN B 310 136.783 221.437 206.579 1.00 0.00 0.134 C +ATOM 8108 CG ASN B 310 136.310 220.234 207.385 1.00 0.00 0.220 C +ATOM 8109 OD1 ASN B 310 136.643 219.091 207.071 1.00 0.00 -0.275 OA +ATOM 8110 ND2 ASN B 310 135.526 220.489 208.426 1.00 0.00 -0.368 N +ATOM 8111 HD22 ASN B 310 135.233 219.844 208.912 1.00 0.00 0.159 HD +ATOM 8112 HD21 ASN B 310 135.312 221.301 208.614 1.00 0.00 0.159 HD +ATOM 8113 H ASN B 310 139.100 221.097 207.286 1.00 0.00 0.164 HD +ATOM 8114 C ARG B 311 140.245 223.548 202.849 1.00 0.00 0.242 C +ATOM 8115 O ARG B 311 139.988 223.887 201.696 1.00 0.00 -0.273 OA +ATOM 8116 CA ARG B 311 139.503 224.174 204.028 1.00 0.00 0.171 C +ATOM 8117 N ARG B 311 139.104 223.145 204.981 1.00 0.00 -0.344 N +ATOM 8118 CB ARG B 311 140.386 225.231 204.695 1.00 0.00 0.038 C +ATOM 8119 CG ARG B 311 140.682 226.434 203.802 1.00 0.00 0.040 C +ATOM 8120 CD ARG B 311 141.768 227.326 204.385 1.00 0.00 0.197 C +ATOM 8121 NE ARG B 311 143.088 226.705 204.301 1.00 0.00 -0.278 N +ATOM 8122 HE ARG B 311 143.354 226.242 204.976 1.00 0.00 0.260 HD +ATOM 8123 CZ ARG B 311 143.909 226.802 203.259 1.00 0.00 0.339 C +ATOM 8124 NH1 ARG B 311 143.565 227.506 202.189 1.00 0.00 -0.290 N +ATOM 8125 NH2 ARG B 311 145.085 226.192 203.285 1.00 0.00 -0.290 N +ATOM 8126 HH12 ARG B 311 142.802 227.903 202.163 1.00 0.00 0.256 HD +ATOM 8127 HH11 ARG B 311 144.103 227.563 201.520 1.00 0.00 0.256 HD +ATOM 8128 HH22 ARG B 311 145.317 225.735 203.976 1.00 0.00 0.256 HD +ATOM 8129 HH21 ARG B 311 145.618 226.256 202.614 1.00 0.00 0.256 HD +ATOM 8130 H ARG B 311 139.497 223.197 205.744 1.00 0.00 0.164 HD +ATOM 8131 C VAL B 312 141.036 221.110 201.236 1.00 0.00 0.243 C +ATOM 8132 O VAL B 312 141.267 220.967 200.036 1.00 0.00 -0.272 OA +ATOM 8133 CA VAL B 312 141.947 221.972 202.104 1.00 0.00 0.173 C +ATOM 8134 N VAL B 312 141.167 222.635 203.144 1.00 0.00 -0.343 N +ATOM 8135 CB VAL B 312 143.085 221.109 202.708 1.00 0.00 0.015 C +ATOM 8136 CG1 VAL B 312 143.688 220.166 201.662 1.00 0.00 0.010 C +ATOM 8137 CG2 VAL B 312 144.167 222.001 203.289 1.00 0.00 0.010 C +ATOM 8138 H VAL B 312 141.361 222.381 203.943 1.00 0.00 0.164 HD +ATOM 8139 C CYS B 313 138.327 220.640 200.053 1.00 0.00 0.243 C +ATOM 8140 O CYS B 313 138.138 220.220 198.912 1.00 0.00 -0.272 OA +ATOM 8141 CA CYS B 313 139.016 219.768 201.096 1.00 0.00 0.181 C +ATOM 8142 N CYS B 313 140.005 220.536 201.844 1.00 0.00 -0.342 N +ATOM 8143 CB CYS B 313 137.980 219.162 202.039 1.00 0.00 0.101 C +ATOM 8144 SG CYS B 313 138.552 217.703 202.909 1.00 0.00 -0.177 SA +ATOM 8145 HG CYS B 313 137.673 217.303 203.621 1.00 0.00 0.102 HD +ATOM 8146 H CYS B 313 139.854 220.576 202.690 1.00 0.00 0.164 HD +ATOM 8147 C ASP B 314 138.280 223.103 198.365 1.00 0.00 0.242 C +ATOM 8148 O ASP B 314 137.860 223.109 197.209 1.00 0.00 -0.273 OA +ATOM 8149 CA ASP B 314 137.342 222.807 199.528 1.00 0.00 0.176 C +ATOM 8150 N ASP B 314 137.951 221.854 200.450 1.00 0.00 -0.343 N +ATOM 8151 CB ASP B 314 136.979 224.109 200.247 1.00 0.00 0.087 C +ATOM 8152 CG ASP B 314 135.793 223.957 201.179 1.00 0.00 0.044 C +ATOM 8153 OD1 ASP B 314 134.948 223.070 200.938 1.00 0.00 -0.548 OA +ATOM 8154 OD2 ASP B 314 135.704 224.734 202.151 1.00 0.00 -0.549 OA +ATOM 8155 H ASP B 314 138.039 222.150 201.252 1.00 0.00 0.164 HD +ATOM 8156 C VAL B 315 140.652 222.468 196.666 1.00 0.00 0.243 C +ATOM 8157 O VAL B 315 140.599 222.670 195.455 1.00 0.00 -0.272 OA +ATOM 8158 CA VAL B 315 140.546 223.626 197.653 1.00 0.00 0.173 C +ATOM 8159 N VAL B 315 139.548 223.349 198.676 1.00 0.00 -0.343 N +ATOM 8160 CB VAL B 315 141.931 223.893 198.276 1.00 0.00 0.015 C +ATOM 8161 CG1 VAL B 315 143.001 224.048 197.194 1.00 0.00 0.010 C +ATOM 8162 CG2 VAL B 315 141.886 225.133 199.153 1.00 0.00 0.010 C +ATOM 8163 H VAL B 315 139.856 223.360 199.479 1.00 0.00 0.164 HD +ATOM 8164 C LEU B 316 139.825 219.763 195.471 1.00 0.00 0.243 C +ATOM 8165 O LEU B 316 139.983 219.257 194.360 1.00 0.00 -0.272 OA +ATOM 8166 CA LEU B 316 141.027 220.086 196.353 1.00 0.00 0.172 C +ATOM 8167 N LEU B 316 140.797 221.257 197.191 1.00 0.00 -0.345 N +ATOM 8168 CB LEU B 316 141.377 218.879 197.223 1.00 0.00 0.038 C +ATOM 8169 CG LEU B 316 142.802 218.867 197.783 1.00 0.00 -0.015 C +ATOM 8170 CD1 LEU B 316 142.948 217.786 198.839 1.00 0.00 0.007 C +ATOM 8171 CD2 LEU B 316 143.815 218.660 196.669 1.00 0.00 0.007 C +ATOM 8172 H LEU B 316 140.766 221.086 198.033 1.00 0.00 0.165 HD +ATOM 8173 C LYS B 317 137.355 220.688 193.968 1.00 0.00 0.242 C +ATOM 8174 O LYS B 317 136.950 220.249 192.892 1.00 0.00 -0.273 OA +ATOM 8175 CA LYS B 317 137.412 219.796 195.204 1.00 0.00 0.171 C +ATOM 8176 N LYS B 317 138.628 220.055 195.965 1.00 0.00 -0.344 N +ATOM 8177 CB LYS B 317 136.176 220.018 196.072 1.00 0.00 0.035 C +ATOM 8178 CG LYS B 317 134.882 219.640 195.382 1.00 0.00 0.008 C +ATOM 8179 CD LYS B 317 133.718 219.603 196.358 1.00 0.00 0.061 C +ATOM 8180 CE LYS B 317 132.672 218.588 195.935 1.00 0.00 0.258 C +ATOM 8181 NZ LYS B 317 133.210 217.198 195.929 1.00 0.00 -0.357 N +ATOM 8182 HZ1 LYS B 317 132.575 216.627 195.677 1.00 0.00 0.345 HD +ATOM 8183 HZ2 LYS B 317 133.893 217.139 195.361 1.00 0.00 0.345 HD +ATOM 8184 HZ3 LYS B 317 133.491 216.977 196.744 1.00 0.00 0.345 HD +ATOM 8185 H LYS B 317 138.492 220.403 196.739 1.00 0.00 0.164 HD +ATOM 8186 C GLN B 318 138.861 222.340 191.996 1.00 0.00 0.242 C +ATOM 8187 O GLN B 318 138.671 222.488 190.790 1.00 0.00 -0.273 OA +ATOM 8188 CA GLN B 318 137.864 222.870 193.020 1.00 0.00 0.171 C +ATOM 8189 N GLN B 318 137.757 221.942 194.135 1.00 0.00 -0.343 N +ATOM 8190 CB GLN B 318 138.298 224.252 193.513 1.00 0.00 0.045 C +ATOM 8191 CG GLN B 318 138.398 225.315 192.419 1.00 0.00 0.102 C +ATOM 8192 CD GLN B 318 139.446 226.371 192.717 1.00 0.00 0.217 C +ATOM 8193 OE1 GLN B 318 139.904 226.511 193.851 1.00 0.00 -0.275 OA +ATOM 8194 NE2 GLN B 318 139.836 227.118 191.692 1.00 0.00 -0.368 N +ATOM 8195 HE22 GLN B 318 139.497 226.989 190.912 1.00 0.00 0.159 HD +ATOM 8196 HE21 GLN B 318 140.428 227.731 191.807 1.00 0.00 0.159 HD +ATOM 8197 H GLN B 318 137.977 222.282 194.893 1.00 0.00 0.164 HD +ATOM 8198 C GLU B 319 140.531 219.875 190.986 1.00 0.00 0.242 C +ATOM 8199 O GLU B 319 140.906 219.572 189.856 1.00 0.00 -0.273 OA +ATOM 8200 CA GLU B 319 140.970 221.182 191.625 1.00 0.00 0.171 C +ATOM 8201 N GLU B 319 139.927 221.721 192.490 1.00 0.00 -0.344 N +ATOM 8202 CB GLU B 319 142.259 220.964 192.417 1.00 0.00 0.041 C +ATOM 8203 CG GLU B 319 142.888 222.245 192.923 1.00 0.00 0.055 C +ATOM 8204 CD GLU B 319 143.260 223.184 191.796 1.00 0.00 0.041 C +ATOM 8205 OE1 GLU B 319 144.133 222.815 190.983 1.00 0.00 -0.548 OA +ATOM 8206 OE2 GLU B 319 142.672 224.284 191.716 1.00 0.00 -0.549 OA +ATOM 8207 H GLU B 319 140.071 221.599 193.329 1.00 0.00 0.164 HD +ATOM 8208 C HIS B 320 137.844 217.539 191.502 1.00 0.00 0.242 C +ATOM 8209 O HIS B 320 137.459 216.810 192.415 1.00 0.00 -0.273 OA +ATOM 8210 CA HIS B 320 139.330 217.776 191.277 1.00 0.00 0.179 C +ATOM 8211 N HIS B 320 139.731 219.107 191.716 1.00 0.00 -0.343 N +ATOM 8212 CB HIS B 320 140.148 216.712 192.007 1.00 0.00 0.119 C +ATOM 8213 CG HIS B 320 141.622 216.827 191.776 1.00 0.00 0.142 A +ATOM 8214 ND1 HIS B 320 142.239 216.328 190.651 1.00 0.00 -0.248 N +ATOM 8215 CD2 HIS B 320 142.600 217.389 192.524 1.00 0.00 0.244 A +ATOM 8216 HD1 HIS B 320 141.842 215.919 190.006 1.00 0.00 0.312 HD +ATOM 8217 CE1 HIS B 320 143.534 216.574 190.716 1.00 0.00 0.400 A +ATOM 8218 NE2 HIS B 320 143.780 217.216 191.844 1.00 0.00 -0.250 N +ATOM 8219 HE2 HIS B 320 144.553 217.484 192.108 1.00 0.00 0.312 HD +ATOM 8220 H HIS B 320 139.404 219.335 192.478 1.00 0.00 0.164 HD +ATOM 8221 C PRO B 321 135.154 216.479 190.553 1.00 0.00 0.243 C +ATOM 8222 O PRO B 321 134.019 216.112 190.847 1.00 0.00 -0.271 OA +ATOM 8223 CA PRO B 321 135.551 217.937 190.767 1.00 0.00 0.175 C +ATOM 8224 N PRO B 321 136.999 218.151 190.660 1.00 0.00 -0.329 N +ATOM 8225 CB PRO B 321 134.977 218.834 189.657 1.00 0.00 0.037 C +ATOM 8226 CG PRO B 321 136.112 219.091 188.728 1.00 0.00 0.024 C +ATOM 8227 CD PRO B 321 137.342 219.085 189.574 1.00 0.00 0.121 C +ATOM 8228 C GLU B 322 136.170 213.332 190.922 1.00 0.00 0.242 C +ATOM 8229 O GLU B 322 135.893 212.135 190.868 1.00 0.00 -0.273 OA +ATOM 8230 CA GLU B 322 135.817 214.261 189.762 1.00 0.00 0.171 C +ATOM 8231 N GLU B 322 136.085 215.665 190.060 1.00 0.00 -0.344 N +ATOM 8232 CB GLU B 322 136.584 213.829 188.502 1.00 0.00 0.041 C +ATOM 8233 CG GLU B 322 138.096 213.619 188.680 1.00 0.00 0.055 C +ATOM 8234 CD GLU B 322 138.872 214.913 188.842 1.00 0.00 0.041 C +ATOM 8235 OE1 GLU B 322 138.250 215.995 188.862 1.00 0.00 -0.548 OA +ATOM 8236 OE2 GLU B 322 140.113 214.849 188.949 1.00 0.00 -0.549 OA +ATOM 8237 H GLU B 322 136.892 215.907 189.886 1.00 0.00 0.164 HD +ATOM 8238 C TRP B 323 136.097 212.738 194.069 1.00 0.00 0.242 C +ATOM 8239 O TRP B 323 135.223 213.562 194.331 1.00 0.00 -0.272 OA +ATOM 8240 CA TRP B 323 137.228 213.071 193.105 1.00 0.00 0.175 C +ATOM 8241 N TRP B 323 136.786 213.878 191.968 1.00 0.00 -0.343 N +ATOM 8242 CB TRP B 323 138.339 213.789 193.874 1.00 0.00 0.072 C +ATOM 8243 CG TRP B 323 139.710 213.600 193.309 1.00 0.00 -0.020 A +ATOM 8244 CD1 TRP B 323 140.040 212.985 192.137 1.00 0.00 0.087 A +ATOM 8245 CD2 TRP B 323 140.941 214.027 193.899 1.00 0.00 0.003 A +ATOM 8246 NE1 TRP B 323 141.401 213.004 191.960 1.00 0.00 -0.359 N +ATOM 8247 CE2 TRP B 323 141.977 213.639 193.029 1.00 0.00 0.046 A +ATOM 8248 CE3 TRP B 323 141.268 214.700 195.078 1.00 0.00 0.010 A +ATOM 8249 HE1 TRP B 323 141.822 212.673 191.288 1.00 0.00 0.166 HD +ATOM 8250 CZ2 TRP B 323 143.315 213.902 193.300 1.00 0.00 0.026 A +ATOM 8251 CZ3 TRP B 323 142.593 214.959 195.345 1.00 0.00 0.001 A +ATOM 8252 CH2 TRP B 323 143.602 214.561 194.460 1.00 0.00 0.002 A +ATOM 8253 H TRP B 323 136.960 214.717 192.045 1.00 0.00 0.164 HD +ATOM 8254 C GLY B 324 135.614 211.559 196.999 1.00 0.00 0.239 C +ATOM 8255 O GLY B 324 136.700 212.111 197.179 1.00 0.00 -0.273 OA +ATOM 8256 CA GLY B 324 135.196 211.098 195.617 1.00 0.00 0.216 C +ATOM 8257 N GLY B 324 136.140 211.523 194.604 1.00 0.00 -0.346 N +ATOM 8258 H GLY B 324 136.716 210.921 194.391 1.00 0.00 0.164 HD +ATOM 8259 C ASP B 325 136.292 211.077 199.894 1.00 0.00 0.242 C +ATOM 8260 O ASP B 325 137.038 211.718 200.632 1.00 0.00 -0.273 OA +ATOM 8261 CA ASP B 325 135.001 211.695 199.362 1.00 0.00 0.176 C +ATOM 8262 N ASP B 325 134.744 211.326 197.975 1.00 0.00 -0.343 N +ATOM 8263 CB ASP B 325 133.813 211.273 200.234 1.00 0.00 0.087 C +ATOM 8264 CG ASP B 325 134.144 211.253 201.713 1.00 0.00 0.044 C +ATOM 8265 OD1 ASP B 325 134.156 212.332 202.336 1.00 0.00 -0.548 OA +ATOM 8266 OD2 ASP B 325 134.376 210.154 202.257 1.00 0.00 -0.549 OA +ATOM 8267 H ASP B 325 133.981 210.947 197.856 1.00 0.00 0.164 HD +ATOM 8268 C GLU B 326 139.032 209.756 199.662 1.00 0.00 0.242 C +ATOM 8269 O GLU B 326 139.867 210.022 200.526 1.00 0.00 -0.273 OA +ATOM 8270 CA GLU B 326 137.704 209.106 200.048 1.00 0.00 0.171 C +ATOM 8271 N GLU B 326 136.558 209.833 199.513 1.00 0.00 -0.344 N +ATOM 8272 CB GLU B 326 137.678 207.650 199.574 1.00 0.00 0.041 C +ATOM 8273 CG GLU B 326 138.804 206.783 200.131 1.00 0.00 0.055 C +ATOM 8274 CD GLU B 326 138.733 206.610 201.635 1.00 0.00 0.041 C +ATOM 8275 OE1 GLU B 326 137.693 206.954 202.233 1.00 0.00 -0.548 OA +ATOM 8276 OE2 GLU B 326 139.720 206.126 202.223 1.00 0.00 -0.549 OA +ATOM 8277 H GLU B 326 136.091 209.387 198.946 1.00 0.00 0.164 HD +ATOM 8278 C GLN B 327 140.681 212.000 198.391 1.00 0.00 0.242 C +ATOM 8279 O GLN B 327 141.803 212.436 198.637 1.00 0.00 -0.273 OA +ATOM 8280 CA GLN B 327 140.497 210.565 197.904 1.00 0.00 0.171 C +ATOM 8281 N GLN B 327 139.233 210.008 198.372 1.00 0.00 -0.343 N +ATOM 8282 CB GLN B 327 140.588 210.512 196.378 1.00 0.00 0.045 C +ATOM 8283 CG GLN B 327 141.944 210.938 195.840 1.00 0.00 0.102 C +ATOM 8284 CD GLN B 327 142.162 210.548 194.390 1.00 0.00 0.217 C +ATOM 8285 OE1 GLN B 327 141.223 210.185 193.681 1.00 0.00 -0.275 OA +ATOM 8286 NE2 GLN B 327 143.410 210.617 193.945 1.00 0.00 -0.368 N +ATOM 8287 HE22 GLN B 327 144.041 210.872 194.470 1.00 0.00 0.159 HD +ATOM 8288 HE21 GLN B 327 143.588 210.406 193.130 1.00 0.00 0.159 HD +ATOM 8289 H GLN B 327 138.655 209.867 197.750 1.00 0.00 0.164 HD +ATOM 8290 C LEU B 328 140.103 214.085 200.509 1.00 0.00 0.243 C +ATOM 8291 O LEU B 328 140.939 214.903 200.893 1.00 0.00 -0.272 OA +ATOM 8292 CA LEU B 328 139.624 214.084 199.060 1.00 0.00 0.172 C +ATOM 8293 N LEU B 328 139.578 212.726 198.532 1.00 0.00 -0.345 N +ATOM 8294 CB LEU B 328 138.251 214.747 198.957 1.00 0.00 0.038 C +ATOM 8295 CG LEU B 328 137.799 215.121 197.544 1.00 0.00 -0.015 C +ATOM 8296 CD1 LEU B 328 136.291 215.292 197.495 1.00 0.00 0.007 C +ATOM 8297 CD2 LEU B 328 138.498 216.393 197.076 1.00 0.00 0.007 C +ATOM 8298 H LEU B 328 138.788 212.454 198.328 1.00 0.00 0.165 HD +ATOM 8299 C PHE B 329 141.471 212.674 202.807 1.00 0.00 0.243 C +ATOM 8300 O PHE B 329 142.244 213.364 203.470 1.00 0.00 -0.272 OA +ATOM 8301 CA PHE B 329 139.996 213.044 202.701 1.00 0.00 0.175 C +ATOM 8302 N PHE B 329 139.572 213.167 201.312 1.00 0.00 -0.343 N +ATOM 8303 CB PHE B 329 139.163 211.996 203.444 1.00 0.00 0.070 C +ATOM 8304 CG PHE B 329 139.689 211.679 204.814 1.00 0.00 -0.045 A +ATOM 8305 CD1 PHE B 329 139.427 212.520 205.881 1.00 0.00 0.004 A +ATOM 8306 CD2 PHE B 329 140.462 210.552 205.031 1.00 0.00 0.004 A +ATOM 8307 CE1 PHE B 329 139.919 212.238 207.140 1.00 0.00 0.000 A +ATOM 8308 CE2 PHE B 329 140.957 210.266 206.288 1.00 0.00 0.000 A +ATOM 8309 CZ PHE B 329 140.684 211.111 207.345 1.00 0.00 0.000 A +ATOM 8310 H PHE B 329 138.967 212.604 201.076 1.00 0.00 0.164 HD +ATOM 8311 C GLN B 330 144.230 212.083 201.740 1.00 0.00 0.242 C +ATOM 8312 O GLN B 330 145.266 212.287 202.366 1.00 0.00 -0.273 OA +ATOM 8313 CA GLN B 330 143.211 211.063 202.238 1.00 0.00 0.171 C +ATOM 8314 N GLN B 330 141.849 211.578 202.157 1.00 0.00 -0.343 N +ATOM 8315 CB GLN B 330 143.345 209.769 201.431 1.00 0.00 0.045 C +ATOM 8316 CG GLN B 330 142.464 208.626 201.914 1.00 0.00 0.102 C +ATOM 8317 CD GLN B 330 142.914 208.036 203.233 1.00 0.00 0.217 C +ATOM 8318 OE1 GLN B 330 144.013 208.309 203.712 1.00 0.00 -0.275 OA +ATOM 8319 NE2 GLN B 330 142.061 207.216 203.828 1.00 0.00 -0.368 N +ATOM 8320 HE22 GLN B 330 141.302 207.046 203.462 1.00 0.00 0.159 HD +ATOM 8321 HE21 GLN B 330 142.267 206.853 204.580 1.00 0.00 0.159 HD +ATOM 8322 H GLN B 330 141.328 211.110 201.658 1.00 0.00 0.164 HD +ATOM 8323 C THR B 331 145.018 214.900 200.931 1.00 0.00 0.245 C +ATOM 8324 O THR B 331 146.102 215.469 201.036 1.00 0.00 -0.273 OA +ATOM 8325 CA THR B 331 144.866 213.678 200.029 1.00 0.00 0.199 C +ATOM 8326 N THR B 331 143.934 212.724 200.616 1.00 0.00 -0.341 N +ATOM 8327 CB THR B 331 144.415 214.115 198.624 1.00 0.00 0.143 C +ATOM 8328 CG2 THR B 331 145.435 215.058 197.992 1.00 0.00 0.041 C +ATOM 8329 OG1 THR B 331 144.270 212.960 197.790 1.00 0.00 -0.389 OA +ATOM 8330 HG1 THR B 331 143.696 212.441 198.115 1.00 0.00 0.211 HD +ATOM 8331 H THR B 331 143.202 212.625 200.174 1.00 0.00 0.164 HD +ATOM 8332 C SER B 332 144.875 216.089 203.708 1.00 0.00 0.244 C +ATOM 8333 O SER B 332 145.621 216.945 204.176 1.00 0.00 -0.272 OA +ATOM 8334 CA SER B 332 143.970 216.407 202.527 1.00 0.00 0.197 C +ATOM 8335 N SER B 332 143.932 215.290 201.591 1.00 0.00 -0.342 N +ATOM 8336 CB SER B 332 142.564 216.748 203.028 1.00 0.00 0.191 C +ATOM 8337 OG SER B 332 141.826 217.452 202.047 1.00 0.00 -0.392 OA +ATOM 8338 HG SER B 332 141.058 217.631 202.338 1.00 0.00 0.210 HD +ATOM 8339 H SER B 332 143.158 214.923 201.513 1.00 0.00 0.164 HD +ATOM 8340 C ARG B 333 147.094 214.476 204.977 1.00 0.00 0.242 C +ATOM 8341 O ARG B 333 147.906 214.920 205.788 1.00 0.00 -0.273 OA +ATOM 8342 CA ARG B 333 145.607 214.418 205.317 1.00 0.00 0.171 C +ATOM 8343 N ARG B 333 144.797 214.853 204.189 1.00 0.00 -0.344 N +ATOM 8344 CB ARG B 333 145.213 213.004 205.743 1.00 0.00 0.038 C +ATOM 8345 CG ARG B 333 146.099 212.409 206.831 1.00 0.00 0.040 C +ATOM 8346 CD ARG B 333 145.522 211.115 207.383 1.00 0.00 0.197 C +ATOM 8347 NE ARG B 333 146.159 210.735 208.640 1.00 0.00 -0.278 N +ATOM 8348 HE ARG B 333 146.834 211.199 208.902 1.00 0.00 0.260 HD +ATOM 8349 CZ ARG B 333 145.768 209.723 209.407 1.00 0.00 0.339 C +ATOM 8350 NH1 ARG B 333 144.735 208.969 209.053 1.00 0.00 -0.290 N +ATOM 8351 NH2 ARG B 333 146.414 209.465 210.534 1.00 0.00 -0.290 N +ATOM 8352 HH12 ARG B 333 144.312 209.134 208.323 1.00 0.00 0.256 HD +ATOM 8353 HH11 ARG B 333 144.488 208.315 209.554 1.00 0.00 0.256 HD +ATOM 8354 HH22 ARG B 333 147.084 209.950 210.766 1.00 0.00 0.256 HD +ATOM 8355 HH21 ARG B 333 146.165 208.809 211.031 1.00 0.00 0.256 HD +ATOM 8356 H ARG B 333 144.278 214.243 203.876 1.00 0.00 0.164 HD +ATOM 8357 C LEU B 334 149.331 215.512 203.251 1.00 0.00 0.243 C +ATOM 8358 O LEU B 334 150.492 215.796 203.545 1.00 0.00 -0.272 OA +ATOM 8359 CA LEU B 334 148.836 214.072 203.337 1.00 0.00 0.172 C +ATOM 8360 N LEU B 334 147.449 214.031 203.777 1.00 0.00 -0.345 N +ATOM 8361 CB LEU B 334 148.997 213.374 201.985 1.00 0.00 0.038 C +ATOM 8362 CG LEU B 334 148.801 211.853 201.951 1.00 0.00 -0.015 C +ATOM 8363 CD1 LEU B 334 149.087 211.322 200.557 1.00 0.00 0.007 C +ATOM 8364 CD2 LEU B 334 149.681 211.150 202.972 1.00 0.00 0.007 C +ATOM 8365 H LEU B 334 146.904 213.700 203.199 1.00 0.00 0.165 HD +ATOM 8366 C ILE B 335 149.013 218.410 204.168 1.00 0.00 0.243 C +ATOM 8367 O ILE B 335 149.987 219.122 204.410 1.00 0.00 -0.272 OA +ATOM 8368 CA ILE B 335 148.807 217.829 202.773 1.00 0.00 0.174 C +ATOM 8369 N ILE B 335 148.448 216.423 202.858 1.00 0.00 -0.343 N +ATOM 8370 CB ILE B 335 147.735 218.635 202.006 1.00 0.00 0.018 C +ATOM 8371 CG2 ILE B 335 147.874 220.135 202.270 1.00 0.00 0.010 C +ATOM 8372 CG1 ILE B 335 147.868 218.364 200.505 1.00 0.00 0.002 C +ATOM 8373 CD1 ILE B 335 146.698 218.843 199.679 1.00 0.00 0.004 C +ATOM 8374 H ILE B 335 147.635 216.251 202.636 1.00 0.00 0.164 HD +ATOM 8375 C LEU B 336 149.406 218.071 207.184 1.00 0.00 0.243 C +ATOM 8376 O LEU B 336 149.968 218.740 208.048 1.00 0.00 -0.272 OA +ATOM 8377 CA LEU B 336 148.194 218.634 206.440 1.00 0.00 0.172 C +ATOM 8378 N LEU B 336 148.104 218.100 205.086 1.00 0.00 -0.345 N +ATOM 8379 CB LEU B 336 146.911 218.348 207.224 1.00 0.00 0.038 C +ATOM 8380 CG LEU B 336 145.904 219.505 207.255 1.00 0.00 -0.015 C +ATOM 8381 CD1 LEU B 336 145.288 219.731 205.884 1.00 0.00 0.007 C +ATOM 8382 CD2 LEU B 336 144.820 219.255 208.289 1.00 0.00 0.007 C +ATOM 8383 H LEU B 336 147.429 217.585 204.952 1.00 0.00 0.165 HD +ATOM 8384 C ILE B 337 152.227 217.121 206.945 1.00 0.00 0.243 C +ATOM 8385 O ILE B 337 153.073 217.492 207.755 1.00 0.00 -0.272 OA +ATOM 8386 CA ILE B 337 151.038 216.276 207.390 1.00 0.00 0.174 C +ATOM 8387 N ILE B 337 149.812 216.850 206.844 1.00 0.00 -0.343 N +ATOM 8388 CB ILE B 337 151.227 214.804 206.949 1.00 0.00 0.018 C +ATOM 8389 CG2 ILE B 337 152.672 214.332 207.181 1.00 0.00 0.010 C +ATOM 8390 CG1 ILE B 337 150.263 213.897 207.718 1.00 0.00 0.002 C +ATOM 8391 CD1 ILE B 337 150.174 212.491 207.179 1.00 0.00 0.004 C +ATOM 8392 H ILE B 337 149.394 216.333 206.298 1.00 0.00 0.164 HD +ATOM 8393 C GLY B 338 153.333 219.656 205.722 1.00 0.00 0.239 C +ATOM 8394 O GLY B 338 154.397 220.199 206.015 1.00 0.00 -0.273 OA +ATOM 8395 CA GLY B 338 153.322 218.271 205.105 1.00 0.00 0.216 C +ATOM 8396 N GLY B 338 152.278 217.424 205.653 1.00 0.00 -0.346 N +ATOM 8397 H GLY B 338 151.710 217.148 205.069 1.00 0.00 0.164 HD +ATOM 8398 C GLU B 339 152.616 221.495 207.961 1.00 0.00 0.242 C +ATOM 8399 O GLU B 339 153.270 222.445 208.391 1.00 0.00 -0.273 OA +ATOM 8400 CA GLU B 339 152.021 221.530 206.564 1.00 0.00 0.171 C +ATOM 8401 N GLU B 339 152.150 220.231 205.911 1.00 0.00 -0.344 N +ATOM 8402 CB GLU B 339 150.556 221.958 206.657 1.00 0.00 0.041 C +ATOM 8403 CG GLU B 339 149.916 222.347 205.340 1.00 0.00 0.055 C +ATOM 8404 CD GLU B 339 148.504 222.857 205.525 1.00 0.00 0.041 C +ATOM 8405 OE1 GLU B 339 148.313 223.800 206.320 1.00 0.00 -0.548 OA +ATOM 8406 OE2 GLU B 339 147.585 222.309 204.884 1.00 0.00 -0.549 OA +ATOM 8407 H GLU B 339 151.400 219.886 205.669 1.00 0.00 0.164 HD +ATOM 8408 C THR B 340 154.358 220.258 210.090 1.00 0.00 0.245 C +ATOM 8409 O THR B 340 154.955 221.038 210.827 1.00 0.00 -0.273 OA +ATOM 8410 CA THR B 340 152.839 220.246 210.038 1.00 0.00 0.199 C +ATOM 8411 N THR B 340 152.371 220.397 208.666 1.00 0.00 -0.341 N +ATOM 8412 CB THR B 340 152.316 218.940 210.670 1.00 0.00 0.143 C +ATOM 8413 CG2 THR B 340 152.676 218.868 212.148 1.00 0.00 0.041 C +ATOM 8414 OG1 THR B 340 150.893 218.877 210.530 1.00 0.00 -0.389 OA +ATOM 8415 HG1 THR B 340 150.683 218.894 209.717 1.00 0.00 0.211 HD +ATOM 8416 H THR B 340 151.933 219.719 208.370 1.00 0.00 0.164 HD +ATOM 8417 C ILE B 341 157.049 220.623 208.839 1.00 0.00 0.243 C +ATOM 8418 O ILE B 341 158.043 221.066 209.414 1.00 0.00 -0.272 OA +ATOM 8419 CA ILE B 341 156.431 219.287 209.259 1.00 0.00 0.174 C +ATOM 8420 N ILE B 341 154.978 219.393 209.297 1.00 0.00 -0.343 N +ATOM 8421 CB ILE B 341 156.872 218.158 208.301 1.00 0.00 0.018 C +ATOM 8422 CG2 ILE B 341 158.390 218.129 208.151 1.00 0.00 0.010 C +ATOM 8423 CG1 ILE B 341 156.355 216.810 208.819 1.00 0.00 0.002 C +ATOM 8424 CD1 ILE B 341 156.551 215.656 207.863 1.00 0.00 0.004 C +ATOM 8425 H ILE B 341 154.575 218.850 208.766 1.00 0.00 0.164 HD +ATOM 8426 C LYS B 342 156.900 223.600 208.507 1.00 0.00 0.242 C +ATOM 8427 O LYS B 342 157.912 224.266 208.723 1.00 0.00 -0.273 OA +ATOM 8428 CA LYS B 342 156.865 222.573 207.375 1.00 0.00 0.171 C +ATOM 8429 N LYS B 342 156.443 221.258 207.843 1.00 0.00 -0.344 N +ATOM 8430 CB LYS B 342 155.927 223.051 206.264 1.00 0.00 0.035 C +ATOM 8431 CG LYS B 342 156.151 224.481 205.792 1.00 0.00 0.008 C +ATOM 8432 CD LYS B 342 157.454 224.623 205.038 1.00 0.00 0.061 C +ATOM 8433 CE LYS B 342 157.531 225.965 204.330 1.00 0.00 0.258 C +ATOM 8434 NZ LYS B 342 158.697 226.040 203.415 1.00 0.00 -0.357 N +ATOM 8435 HZ1 LYS B 342 158.718 226.834 203.014 1.00 0.00 0.345 HD +ATOM 8436 HZ2 LYS B 342 159.451 225.926 203.873 1.00 0.00 0.345 HD +ATOM 8437 HZ3 LYS B 342 158.636 225.404 202.794 1.00 0.00 0.345 HD +ATOM 8438 H LYS B 342 155.770 220.941 207.412 1.00 0.00 0.164 HD +ATOM 8439 C ILE B 343 156.599 224.396 211.440 1.00 0.00 0.243 C +ATOM 8440 O ILE B 343 157.240 225.298 211.972 1.00 0.00 -0.272 OA +ATOM 8441 CA ILE B 343 155.649 224.702 210.291 1.00 0.00 0.174 C +ATOM 8442 N ILE B 343 155.784 223.725 209.216 1.00 0.00 -0.343 N +ATOM 8443 CB ILE B 343 154.190 224.754 210.819 1.00 0.00 0.018 C +ATOM 8444 CG2 ILE B 343 154.092 225.578 212.109 1.00 0.00 0.010 C +ATOM 8445 CG1 ILE B 343 153.273 225.353 209.751 1.00 0.00 0.002 C +ATOM 8446 CD1 ILE B 343 151.803 225.277 210.080 1.00 0.00 0.004 C +ATOM 8447 H ILE B 343 155.080 223.247 209.092 1.00 0.00 0.164 HD +ATOM 8448 C VAL B 344 158.990 223.084 212.669 1.00 0.00 0.243 C +ATOM 8449 O VAL B 344 159.663 223.650 213.525 1.00 0.00 -0.272 OA +ATOM 8450 CA VAL B 344 157.529 222.725 212.939 1.00 0.00 0.173 C +ATOM 8451 N VAL B 344 156.679 223.127 211.824 1.00 0.00 -0.343 N +ATOM 8452 CB VAL B 344 157.406 221.214 213.224 1.00 0.00 0.015 C +ATOM 8453 CG1 VAL B 344 158.541 220.720 214.131 1.00 0.00 0.010 C +ATOM 8454 CG2 VAL B 344 156.058 220.917 213.860 1.00 0.00 0.010 C +ATOM 8455 H VAL B 344 156.252 222.479 211.455 1.00 0.00 0.164 HD +ATOM 8456 C ILE B 345 161.114 224.558 211.045 1.00 0.00 0.243 C +ATOM 8457 O ILE B 345 162.027 225.083 211.678 1.00 0.00 -0.272 OA +ATOM 8458 CA ILE B 345 160.872 223.050 211.149 1.00 0.00 0.174 C +ATOM 8459 N ILE B 345 159.483 222.756 211.481 1.00 0.00 -0.343 N +ATOM 8460 CB ILE B 345 161.294 222.359 209.829 1.00 0.00 0.018 C +ATOM 8461 CG2 ILE B 345 162.648 222.891 209.335 1.00 0.00 0.010 C +ATOM 8462 CG1 ILE B 345 161.369 220.842 210.042 1.00 0.00 0.002 C +ATOM 8463 CD1 ILE B 345 161.707 220.043 208.798 1.00 0.00 0.004 C +ATOM 8464 H ILE B 345 159.040 222.367 210.855 1.00 0.00 0.164 HD +ATOM 8465 C GLU B 346 160.005 227.729 210.765 1.00 0.00 0.242 C +ATOM 8466 O GLU B 346 160.306 228.901 210.568 1.00 0.00 -0.273 OA +ATOM 8467 CA GLU B 346 160.606 226.633 209.882 1.00 0.00 0.171 C +ATOM 8468 N GLU B 346 160.289 225.256 210.271 1.00 0.00 -0.344 N +ATOM 8469 CB GLU B 346 160.180 226.861 208.435 1.00 0.00 0.041 C +ATOM 8470 CG GLU B 346 161.015 226.061 207.440 1.00 0.00 0.055 C +ATOM 8471 CD GLU B 346 160.746 226.433 205.997 1.00 0.00 0.041 C +ATOM 8472 OE1 GLU B 346 160.101 227.475 205.755 1.00 0.00 -0.548 OA +ATOM 8473 OE2 GLU B 346 161.182 225.678 205.103 1.00 0.00 -0.549 OA +ATOM 8474 H GLU B 346 159.544 224.962 209.959 1.00 0.00 0.164 HD +ATOM 8475 C ASP B 347 158.924 227.899 214.133 1.00 0.00 0.242 C +ATOM 8476 O ASP B 347 159.466 228.666 214.926 1.00 0.00 -0.273 OA +ATOM 8477 CA ASP B 347 158.646 228.328 212.700 1.00 0.00 0.176 C +ATOM 8478 N ASP B 347 159.178 227.360 211.737 1.00 0.00 -0.343 N +ATOM 8479 CB ASP B 347 157.140 228.522 212.508 1.00 0.00 0.087 C +ATOM 8480 CG ASP B 347 156.806 229.282 211.241 1.00 0.00 0.044 C +ATOM 8481 OD1 ASP B 347 157.467 230.304 210.965 1.00 0.00 -0.548 OA +ATOM 8482 OD2 ASP B 347 155.886 228.853 210.520 1.00 0.00 -0.549 OA +ATOM 8483 H ASP B 347 158.906 226.554 211.864 1.00 0.00 0.164 HD +ATOM 8484 C TYR B 348 160.115 225.914 216.222 1.00 0.00 0.243 C +ATOM 8485 O TYR B 348 160.592 226.509 217.188 1.00 0.00 -0.272 OA +ATOM 8486 CA TYR B 348 158.658 226.147 215.811 1.00 0.00 0.175 C +ATOM 8487 N TYR B 348 158.545 226.668 214.455 1.00 0.00 -0.343 N +ATOM 8488 CB TYR B 348 157.850 224.853 215.922 1.00 0.00 0.070 C +ATOM 8489 CG TYR B 348 157.890 224.173 217.265 1.00 0.00 -0.045 A +ATOM 8490 CD1 TYR B 348 157.086 224.601 218.307 1.00 0.00 0.007 A +ATOM 8491 CD2 TYR B 348 158.713 223.078 217.481 1.00 0.00 0.007 A +ATOM 8492 CE1 TYR B 348 157.110 223.967 219.532 1.00 0.00 0.046 A +ATOM 8493 CE2 TYR B 348 158.745 222.439 218.702 1.00 0.00 0.046 A +ATOM 8494 CZ TYR B 348 157.942 222.888 219.724 1.00 0.00 0.115 A +ATOM 8495 OH TYR B 348 157.972 222.256 220.940 1.00 0.00 -0.507 OA +ATOM 8496 HH TYR B 348 158.519 221.618 220.919 1.00 0.00 0.294 HD +ATOM 8497 H TYR B 348 158.214 226.105 213.895 1.00 0.00 0.164 HD +ATOM 8498 C VAL B 349 163.062 226.043 215.528 1.00 0.00 0.243 C +ATOM 8499 O VAL B 349 164.019 226.312 216.252 1.00 0.00 -0.272 OA +ATOM 8500 CA VAL B 349 162.230 224.793 215.781 1.00 0.00 0.173 C +ATOM 8501 N VAL B 349 160.823 225.055 215.491 1.00 0.00 -0.343 N +ATOM 8502 CB VAL B 349 162.789 223.624 214.939 1.00 0.00 0.015 C +ATOM 8503 CG1 VAL B 349 164.297 223.443 215.177 1.00 0.00 0.010 C +ATOM 8504 CG2 VAL B 349 162.053 222.337 215.274 1.00 0.00 0.010 C +ATOM 8505 H VAL B 349 160.512 224.611 214.823 1.00 0.00 0.164 HD +ATOM 8506 C GLN B 350 163.389 228.968 215.391 1.00 0.00 0.242 C +ATOM 8507 O GLN B 350 164.437 229.460 215.804 1.00 0.00 -0.273 OA +ATOM 8508 CA GLN B 350 163.385 228.047 214.183 1.00 0.00 0.171 C +ATOM 8509 N GLN B 350 162.697 226.799 214.497 1.00 0.00 -0.343 N +ATOM 8510 CB GLN B 350 162.727 228.751 212.999 1.00 0.00 0.045 C +ATOM 8511 CG GLN B 350 163.413 230.048 212.589 1.00 0.00 0.102 C +ATOM 8512 CD GLN B 350 164.807 229.819 212.046 1.00 0.00 0.217 C +ATOM 8513 OE1 GLN B 350 165.002 229.033 211.121 1.00 0.00 -0.275 OA +ATOM 8514 NE2 GLN B 350 165.785 230.497 212.625 1.00 0.00 -0.368 N +ATOM 8515 HE22 GLN B 350 165.611 231.033 213.275 1.00 0.00 0.159 HD +ATOM 8516 HE21 GLN B 350 166.595 230.401 212.352 1.00 0.00 0.159 HD +ATOM 8517 H GLN B 350 162.051 226.611 213.962 1.00 0.00 0.164 HD +ATOM 8518 C HIS B 351 162.843 229.361 218.295 1.00 0.00 0.242 C +ATOM 8519 O HIS B 351 163.563 230.007 219.052 1.00 0.00 -0.272 OA +ATOM 8520 CA HIS B 351 162.099 230.021 217.152 1.00 0.00 0.177 C +ATOM 8521 N HIS B 351 162.208 229.210 215.949 1.00 0.00 -0.343 N +ATOM 8522 CB HIS B 351 160.641 230.224 217.557 1.00 0.00 0.093 C +ATOM 8523 CG HIS B 351 160.481 230.661 218.977 1.00 0.00 0.061 A +ATOM 8524 ND1 HIS B 351 160.672 231.965 219.379 1.00 0.00 -0.242 NA +ATOM 8525 CD2 HIS B 351 160.186 229.961 220.097 1.00 0.00 0.107 A +ATOM 8526 CE1 HIS B 351 160.483 232.053 220.683 1.00 0.00 0.196 A +ATOM 8527 NE2 HIS B 351 160.187 230.851 221.142 1.00 0.00 -0.350 N +ATOM 8528 HE2 HIS B 351 160.021 230.657 221.963 1.00 0.00 0.167 HD +ATOM 8529 H HIS B 351 161.457 228.916 215.650 1.00 0.00 0.164 HD +ATOM 8530 C LEU B 352 164.721 227.331 219.558 1.00 0.00 0.243 C +ATOM 8531 O LEU B 352 165.312 227.441 220.630 1.00 0.00 -0.272 OA +ATOM 8532 CA LEU B 352 163.194 227.284 219.507 1.00 0.00 0.172 C +ATOM 8533 N LEU B 352 162.645 228.058 218.410 1.00 0.00 -0.345 N +ATOM 8534 CB LEU B 352 162.721 225.838 219.383 1.00 0.00 0.038 C +ATOM 8535 CG LEU B 352 163.063 224.903 220.531 1.00 0.00 -0.015 C +ATOM 8536 CD1 LEU B 352 162.584 225.505 221.830 1.00 0.00 0.007 C +ATOM 8537 CD2 LEU B 352 162.415 223.555 220.281 1.00 0.00 0.007 C +ATOM 8538 H LEU B 352 162.186 227.591 217.854 1.00 0.00 0.165 HD +ATOM 8539 C SER B 353 167.473 228.489 218.659 1.00 0.00 0.244 C +ATOM 8540 O SER B 353 168.561 228.503 219.234 1.00 0.00 -0.272 OA +ATOM 8541 CA SER B 353 166.802 227.171 218.295 1.00 0.00 0.197 C +ATOM 8542 N SER B 353 165.350 227.241 218.391 1.00 0.00 -0.342 N +ATOM 8543 CB SER B 353 167.211 226.772 216.878 1.00 0.00 0.191 C +ATOM 8544 OG SER B 353 167.014 227.852 215.976 1.00 0.00 -0.392 OA +ATOM 8545 HG SER B 353 166.204 228.075 215.968 1.00 0.00 0.210 HD +ATOM 8546 H SER B 353 164.951 227.219 217.629 1.00 0.00 0.164 HD +ATOM 8547 C GLY B 354 168.347 231.280 217.379 1.00 0.00 0.239 C +ATOM 8548 O GLY B 354 168.976 232.334 217.406 1.00 0.00 -0.273 OA +ATOM 8549 CA GLY B 354 167.397 230.912 218.504 1.00 0.00 0.216 C +ATOM 8550 N GLY B 354 166.821 229.594 218.312 1.00 0.00 -0.346 N +ATOM 8551 H GLY B 354 166.036 229.603 217.961 1.00 0.00 0.164 HD +ATOM 8552 C TYR B 355 169.032 231.746 214.374 1.00 0.00 0.243 C +ATOM 8553 O TYR B 355 167.853 232.025 214.152 1.00 0.00 -0.272 OA +ATOM 8554 CA TYR B 355 169.397 230.582 215.291 1.00 0.00 0.175 C +ATOM 8555 N TYR B 355 168.445 230.407 216.383 1.00 0.00 -0.343 N +ATOM 8556 CB TYR B 355 169.487 229.302 214.454 1.00 0.00 0.070 C +ATOM 8557 CG TYR B 355 169.993 228.078 215.188 1.00 0.00 -0.045 A +ATOM 8558 CD1 TYR B 355 170.617 228.180 216.424 1.00 0.00 0.007 A +ATOM 8559 CD2 TYR B 355 169.853 226.815 214.631 1.00 0.00 0.007 A +ATOM 8560 CE1 TYR B 355 171.082 227.056 217.084 1.00 0.00 0.046 A +ATOM 8561 CE2 TYR B 355 170.314 225.691 215.282 1.00 0.00 0.046 A +ATOM 8562 CZ TYR B 355 170.927 225.815 216.507 1.00 0.00 0.115 A +ATOM 8563 OH TYR B 355 171.385 224.688 217.152 1.00 0.00 -0.507 OA +ATOM 8564 HH TYR B 355 171.737 224.900 217.885 1.00 0.00 0.294 HD +ATOM 8565 H TYR B 355 167.966 229.696 216.316 1.00 0.00 0.164 HD +ATOM 8566 C HIS B 356 169.871 232.737 211.427 1.00 0.00 0.242 C +ATOM 8567 O HIS B 356 169.323 233.265 210.461 1.00 0.00 -0.272 OA +ATOM 8568 CA HIS B 356 169.866 233.413 212.792 1.00 0.00 0.177 C +ATOM 8569 N HIS B 356 170.053 232.414 213.842 1.00 0.00 -0.343 N +ATOM 8570 CB HIS B 356 170.956 234.483 212.841 1.00 0.00 0.093 C +ATOM 8571 CG HIS B 356 170.939 235.308 214.087 1.00 0.00 0.061 A +ATOM 8572 ND1 HIS B 356 169.813 235.969 214.528 1.00 0.00 -0.242 NA +ATOM 8573 CD2 HIS B 356 171.914 235.585 214.984 1.00 0.00 0.107 A +ATOM 8574 CE1 HIS B 356 170.094 236.613 215.646 1.00 0.00 0.196 A +ATOM 8575 NE2 HIS B 356 171.363 236.398 215.944 1.00 0.00 -0.350 N +ATOM 8576 HE2 HIS B 356 171.776 236.715 216.628 1.00 0.00 0.167 HD +ATOM 8577 H HIS B 356 170.874 232.305 214.074 1.00 0.00 0.164 HD +ATOM 8578 C PHE B 357 168.991 230.295 209.969 1.00 0.00 0.243 C +ATOM 8579 O PHE B 357 168.351 229.853 210.920 1.00 0.00 -0.272 OA +ATOM 8580 CA PHE B 357 170.430 230.751 210.149 1.00 0.00 0.175 C +ATOM 8581 N PHE B 357 170.513 231.575 211.346 1.00 0.00 -0.343 N +ATOM 8582 CB PHE B 357 171.364 229.544 210.235 1.00 0.00 0.070 C +ATOM 8583 CG PHE B 357 171.123 228.521 209.162 1.00 0.00 -0.045 A +ATOM 8584 CD1 PHE B 357 171.586 228.726 207.874 1.00 0.00 0.004 A +ATOM 8585 CD2 PHE B 357 170.425 227.359 209.441 1.00 0.00 0.004 A +ATOM 8586 CE1 PHE B 357 171.361 227.789 206.886 1.00 0.00 0.000 A +ATOM 8587 CE2 PHE B 357 170.197 226.418 208.454 1.00 0.00 0.000 A +ATOM 8588 CZ PHE B 357 170.666 226.634 207.176 1.00 0.00 0.000 A +ATOM 8589 H PHE B 357 171.003 231.244 211.970 1.00 0.00 0.164 HD +ATOM 8590 C LYS B 358 166.901 228.636 208.117 1.00 0.00 0.242 C +ATOM 8591 O LYS B 358 167.311 228.184 207.048 1.00 0.00 -0.273 OA +ATOM 8592 CA LYS B 358 167.089 230.108 208.468 1.00 0.00 0.171 C +ATOM 8593 N LYS B 358 168.486 230.408 208.747 1.00 0.00 -0.344 N +ATOM 8594 CB LYS B 358 166.582 230.995 207.333 1.00 0.00 0.035 C +ATOM 8595 CG LYS B 358 165.082 230.965 207.134 1.00 0.00 0.008 C +ATOM 8596 CD LYS B 358 164.666 231.972 206.077 1.00 0.00 0.061 C +ATOM 8597 CE LYS B 358 163.173 231.936 205.809 1.00 0.00 0.258 C +ATOM 8598 NZ LYS B 358 162.793 232.914 204.753 1.00 0.00 -0.357 N +ATOM 8599 HZ1 LYS B 358 161.916 232.879 204.609 1.00 0.00 0.345 HD +ATOM 8600 HZ2 LYS B 358 163.012 233.737 205.009 1.00 0.00 0.345 HD +ATOM 8601 HZ3 LYS B 358 163.219 232.723 203.995 1.00 0.00 0.345 HD +ATOM 8602 H LYS B 358 168.936 230.657 208.058 1.00 0.00 0.164 HD +ATOM 8603 C LEU B 359 165.094 226.281 207.622 1.00 0.00 0.243 C +ATOM 8604 O LEU B 359 164.290 227.154 207.302 1.00 0.00 -0.272 OA +ATOM 8605 CA LEU B 359 166.029 226.477 208.811 1.00 0.00 0.172 C +ATOM 8606 N LEU B 359 166.282 227.894 209.028 1.00 0.00 -0.345 N +ATOM 8607 CB LEU B 359 165.439 225.840 210.071 1.00 0.00 0.038 C +ATOM 8608 CG LEU B 359 166.323 225.933 211.319 1.00 0.00 -0.015 C +ATOM 8609 CD1 LEU B 359 165.585 225.416 212.549 1.00 0.00 0.007 C +ATOM 8610 CD2 LEU B 359 167.624 225.175 211.123 1.00 0.00 0.007 C +ATOM 8611 H LEU B 359 165.998 228.190 209.784 1.00 0.00 0.165 HD +ATOM 8612 C LYS B 360 163.902 223.433 205.766 1.00 0.00 0.242 C +ATOM 8613 O LYS B 360 164.632 222.471 206.007 1.00 0.00 -0.273 OA +ATOM 8614 CA LYS B 360 164.463 224.849 205.758 1.00 0.00 0.171 C +ATOM 8615 N LYS B 360 165.214 225.130 206.973 1.00 0.00 -0.344 N +ATOM 8616 CB LYS B 360 165.358 225.045 204.532 1.00 0.00 0.035 C +ATOM 8617 CG LYS B 360 164.646 224.877 203.202 1.00 0.00 0.008 C +ATOM 8618 CD LYS B 360 165.577 225.188 202.037 1.00 0.00 0.061 C +ATOM 8619 CE LYS B 360 164.834 225.199 200.712 1.00 0.00 0.258 C +ATOM 8620 NZ LYS B 360 165.681 224.707 199.593 1.00 0.00 -0.357 N +ATOM 8621 HZ1 LYS B 360 165.219 224.725 198.832 1.00 0.00 0.345 HD +ATOM 8622 HZ2 LYS B 360 166.401 225.223 199.507 1.00 0.00 0.345 HD +ATOM 8623 HZ3 LYS B 360 165.941 223.871 199.753 1.00 0.00 0.345 HD +ATOM 8624 H LYS B 360 165.730 224.488 207.220 1.00 0.00 0.164 HD +ATOM 8625 C PHE B 361 162.072 221.733 203.759 1.00 0.00 0.243 C +ATOM 8626 O PHE B 361 161.330 222.313 202.965 1.00 0.00 -0.272 OA +ATOM 8627 CA PHE B 361 161.997 222.022 205.250 1.00 0.00 0.175 C +ATOM 8628 N PHE B 361 162.602 223.317 205.513 1.00 0.00 -0.343 N +ATOM 8629 CB PHE B 361 160.543 221.970 205.722 1.00 0.00 0.070 C +ATOM 8630 CG PHE B 361 159.822 220.723 205.290 1.00 0.00 -0.045 A +ATOM 8631 CD1 PHE B 361 160.364 219.475 205.549 1.00 0.00 0.004 A +ATOM 8632 CD2 PHE B 361 158.615 220.797 204.621 1.00 0.00 0.004 A +ATOM 8633 CE1 PHE B 361 159.716 218.328 205.152 1.00 0.00 0.000 A +ATOM 8634 CE2 PHE B 361 157.961 219.650 204.223 1.00 0.00 0.000 A +ATOM 8635 CZ PHE B 361 158.514 218.412 204.491 1.00 0.00 0.000 A +ATOM 8636 H PHE B 361 162.050 223.976 205.489 1.00 0.00 0.164 HD +ATOM 8637 C ASP B 362 163.691 219.035 201.904 1.00 0.00 0.242 C +ATOM 8638 O ASP B 362 164.889 218.795 202.046 1.00 0.00 -0.273 OA +ATOM 8639 CA ASP B 362 163.171 220.469 201.994 1.00 0.00 0.176 C +ATOM 8640 N ASP B 362 162.979 220.837 203.387 1.00 0.00 -0.343 N +ATOM 8641 CB ASP B 362 164.134 221.439 201.311 1.00 0.00 0.087 C +ATOM 8642 CG ASP B 362 164.322 221.134 199.838 1.00 0.00 0.044 C +ATOM 8643 OD1 ASP B 362 163.481 220.407 199.267 1.00 0.00 -0.548 OA +ATOM 8644 OD2 ASP B 362 165.307 221.625 199.248 1.00 0.00 -0.549 OA +ATOM 8645 H ASP B 362 163.501 220.424 203.931 1.00 0.00 0.164 HD +ATOM 8646 C PRO B 363 164.224 216.383 200.508 1.00 0.00 0.243 C +ATOM 8647 O PRO B 363 164.932 215.383 200.606 1.00 0.00 -0.271 OA +ATOM 8648 CA PRO B 363 163.159 216.657 201.568 1.00 0.00 0.175 C +ATOM 8649 N PRO B 363 162.783 218.071 201.693 1.00 0.00 -0.329 N +ATOM 8650 CB PRO B 363 161.835 215.990 201.193 1.00 0.00 0.037 C +ATOM 8651 CG PRO B 363 160.812 216.830 201.867 1.00 0.00 0.024 C +ATOM 8652 CD PRO B 363 161.318 218.238 201.749 1.00 0.00 0.121 C +ATOM 8653 C GLU B 364 166.755 217.175 198.941 1.00 0.00 0.242 C +ATOM 8654 O GLU B 364 167.674 216.651 198.316 1.00 0.00 -0.273 OA +ATOM 8655 CA GLU B 364 165.316 217.058 198.443 1.00 0.00 0.171 C +ATOM 8656 N GLU B 364 164.342 217.257 199.513 1.00 0.00 -0.344 N +ATOM 8657 CB GLU B 364 165.073 218.054 197.310 1.00 0.00 0.041 C +ATOM 8658 CG GLU B 364 163.912 217.677 196.406 1.00 0.00 0.055 C +ATOM 8659 CD GLU B 364 163.589 218.749 195.385 1.00 0.00 0.041 C +ATOM 8660 OE1 GLU B 364 164.533 219.368 194.854 1.00 0.00 -0.548 OA +ATOM 8661 OE2 GLU B 364 162.389 218.975 195.117 1.00 0.00 -0.549 OA +ATOM 8662 H GLU B 364 163.871 217.972 199.434 1.00 0.00 0.164 HD +ATOM 8663 C LEU B 365 168.887 216.608 200.976 1.00 0.00 0.243 C +ATOM 8664 O LEU B 365 170.107 216.469 201.014 1.00 0.00 -0.272 OA +ATOM 8665 CA LEU B 365 168.273 217.976 200.669 1.00 0.00 0.172 C +ATOM 8666 N LEU B 365 166.948 217.856 200.066 1.00 0.00 -0.345 N +ATOM 8667 CB LEU B 365 168.209 218.801 201.957 1.00 0.00 0.038 C +ATOM 8668 CG LEU B 365 167.687 220.238 201.860 1.00 0.00 -0.015 C +ATOM 8669 CD1 LEU B 365 167.633 220.868 203.246 1.00 0.00 0.007 C +ATOM 8670 CD2 LEU B 365 168.536 221.079 200.925 1.00 0.00 0.007 C +ATOM 8671 H LEU B 365 166.327 218.260 200.502 1.00 0.00 0.165 HD +ATOM 8672 C LEU B 366 168.490 213.210 200.573 1.00 0.00 0.243 C +ATOM 8673 O LEU B 366 168.900 212.082 200.829 1.00 0.00 -0.272 OA +ATOM 8674 CA LEU B 366 168.487 214.291 201.654 1.00 0.00 0.172 C +ATOM 8675 N LEU B 366 168.039 215.604 201.191 1.00 0.00 -0.345 N +ATOM 8676 CB LEU B 366 167.605 213.819 202.815 1.00 0.00 0.038 C +ATOM 8677 CG LEU B 366 167.662 214.613 204.120 1.00 0.00 -0.015 C +ATOM 8678 CD1 LEU B 366 166.674 214.033 205.123 1.00 0.00 0.007 C +ATOM 8679 CD2 LEU B 366 169.070 214.617 204.696 1.00 0.00 0.007 C +ATOM 8680 H LEU B 366 167.188 215.659 201.073 1.00 0.00 0.165 HD +ATOM 8681 C PHE B 367 169.186 211.919 197.844 1.00 0.00 0.243 C +ATOM 8682 O PHE B 367 169.190 210.797 197.341 1.00 0.00 -0.272 OA +ATOM 8683 CA PHE B 367 167.867 212.540 198.323 1.00 0.00 0.175 C +ATOM 8684 N PHE B 367 168.036 213.545 199.372 1.00 0.00 -0.343 N +ATOM 8685 CB PHE B 367 167.121 213.142 197.129 1.00 0.00 0.070 C +ATOM 8686 CG PHE B 367 165.636 213.327 197.353 1.00 0.00 -0.045 A +ATOM 8687 CD1 PHE B 367 165.002 212.797 198.466 1.00 0.00 0.004 A +ATOM 8688 CD2 PHE B 367 164.871 214.025 196.433 1.00 0.00 0.004 A +ATOM 8689 CE1 PHE B 367 163.648 212.967 198.658 1.00 0.00 0.000 A +ATOM 8690 CE2 PHE B 367 163.515 214.196 196.625 1.00 0.00 0.000 A +ATOM 8691 CZ PHE B 367 162.905 213.666 197.738 1.00 0.00 0.000 A +ATOM 8692 H PHE B 367 167.819 214.343 199.136 1.00 0.00 0.164 HD +ATOM 8693 C ASN B 368 172.389 211.636 198.892 1.00 0.00 0.242 C +ATOM 8694 O ASN B 368 173.579 211.334 198.808 1.00 0.00 -0.273 OA +ATOM 8695 CA ASN B 368 171.611 212.093 197.656 1.00 0.00 0.180 C +ATOM 8696 N ASN B 368 170.296 212.638 197.997 1.00 0.00 -0.342 N +ATOM 8697 CB ASN B 368 172.439 213.122 196.881 1.00 0.00 0.134 C +ATOM 8698 CG ASN B 368 171.930 213.344 195.470 1.00 0.00 0.220 C +ATOM 8699 OD1 ASN B 368 171.122 212.567 194.958 1.00 0.00 -0.275 OA +ATOM 8700 ND2 ASN B 368 172.414 214.400 194.829 1.00 0.00 -0.368 N +ATOM 8701 HD22 ASN B 368 172.157 214.570 194.026 1.00 0.00 0.159 HD +ATOM 8702 HD21 ASN B 368 172.984 214.914 195.216 1.00 0.00 0.159 HD +ATOM 8703 H ASN B 368 170.316 213.444 198.296 1.00 0.00 0.164 HD +ATOM 8704 C LYS B 369 171.841 209.808 201.730 1.00 0.00 0.242 C +ATOM 8705 O LYS B 369 170.785 209.355 201.298 1.00 0.00 -0.273 OA +ATOM 8706 CA LYS B 369 172.343 211.174 201.284 1.00 0.00 0.171 C +ATOM 8707 N LYS B 369 171.712 211.576 200.033 1.00 0.00 -0.344 N +ATOM 8708 CB LYS B 369 172.063 212.199 202.383 1.00 0.00 0.035 C +ATOM 8709 CG LYS B 369 172.313 213.638 201.982 1.00 0.00 0.008 C +ATOM 8710 CD LYS B 369 173.783 213.907 201.723 1.00 0.00 0.061 C +ATOM 8711 CE LYS B 369 174.005 215.359 201.343 1.00 0.00 0.258 C +ATOM 8712 NZ LYS B 369 175.431 215.667 201.063 1.00 0.00 -0.357 N +ATOM 8713 HZ1 LYS B 369 175.519 216.526 200.845 1.00 0.00 0.345 HD +ATOM 8714 HZ2 LYS B 369 175.925 215.500 201.784 1.00 0.00 0.345 HD +ATOM 8715 HZ3 LYS B 369 175.724 215.166 200.389 1.00 0.00 0.345 HD +ATOM 8716 H LYS B 369 170.877 211.766 200.109 1.00 0.00 0.164 HD +ATOM 8717 C GLN B 370 171.151 208.436 204.369 1.00 0.00 0.242 C +ATOM 8718 O GLN B 370 171.490 209.288 205.188 1.00 0.00 -0.273 OA +ATOM 8719 CA GLN B 370 172.123 207.976 203.298 1.00 0.00 0.171 C +ATOM 8720 N GLN B 370 172.611 209.152 202.590 1.00 0.00 -0.343 N +ATOM 8721 CB GLN B 370 173.267 207.189 203.934 1.00 0.00 0.045 C +ATOM 8722 CG GLN B 370 174.217 206.527 202.956 1.00 0.00 0.102 C +ATOM 8723 CD GLN B 370 175.315 205.760 203.668 1.00 0.00 0.217 C +ATOM 8724 OE1 GLN B 370 176.308 206.340 204.103 1.00 0.00 -0.275 OA +ATOM 8725 NE2 GLN B 370 175.132 204.451 203.807 1.00 0.00 -0.368 N +ATOM 8726 HE22 GLN B 370 174.418 204.082 203.500 1.00 0.00 0.159 HD +ATOM 8727 HE21 GLN B 370 175.727 203.974 204.204 1.00 0.00 0.159 HD +ATOM 8728 H GLN B 370 173.422 209.367 202.781 1.00 0.00 0.164 HD +ATOM 8729 C PHE B 371 167.799 207.267 205.395 1.00 0.00 0.243 C +ATOM 8730 O PHE B 371 167.302 206.821 204.365 1.00 0.00 -0.272 OA +ATOM 8731 CA PHE B 371 168.932 208.285 205.332 1.00 0.00 0.175 C +ATOM 8732 N PHE B 371 169.945 207.882 204.366 1.00 0.00 -0.343 N +ATOM 8733 CB PHE B 371 168.383 209.669 204.976 1.00 0.00 0.070 C +ATOM 8734 CG PHE B 371 167.542 210.281 206.054 1.00 0.00 -0.045 A +ATOM 8735 CD1 PHE B 371 168.128 211.000 207.079 1.00 0.00 0.004 A +ATOM 8736 CD2 PHE B 371 166.166 210.136 206.046 1.00 0.00 0.004 A +ATOM 8737 CE1 PHE B 371 167.359 211.558 208.075 1.00 0.00 0.000 A +ATOM 8738 CE2 PHE B 371 165.393 210.695 207.042 1.00 0.00 0.000 A +ATOM 8739 CZ PHE B 371 165.991 211.406 208.057 1.00 0.00 0.000 A +ATOM 8740 H PHE B 371 169.689 207.271 203.817 1.00 0.00 0.164 HD +ATOM 8741 C GLN B 372 164.980 206.621 207.007 1.00 0.00 0.242 C +ATOM 8742 O GLN B 372 164.784 207.354 207.973 1.00 0.00 -0.273 OA +ATOM 8743 CA GLN B 372 166.326 205.929 206.809 1.00 0.00 0.171 C +ATOM 8744 N GLN B 372 167.400 206.901 206.610 1.00 0.00 -0.343 N +ATOM 8745 CB GLN B 372 166.632 205.033 208.010 1.00 0.00 0.045 C +ATOM 8746 CG GLN B 372 167.918 204.245 207.879 1.00 0.00 0.102 C +ATOM 8747 CD GLN B 372 167.901 203.274 206.717 1.00 0.00 0.217 C +ATOM 8748 OE1 GLN B 372 166.998 202.448 206.591 1.00 0.00 -0.275 OA +ATOM 8749 NE2 GLN B 372 168.904 203.372 205.857 1.00 0.00 -0.368 N +ATOM 8750 HE22 GLN B 372 169.517 203.963 205.977 1.00 0.00 0.159 HD +ATOM 8751 HE21 GLN B 372 168.942 202.844 205.179 1.00 0.00 0.159 HD +ATOM 8752 H GLN B 372 167.737 207.203 207.341 1.00 0.00 0.164 HD +ATOM 8753 C TYR B 373 161.841 206.099 207.069 1.00 0.00 0.243 C +ATOM 8754 O TYR B 373 160.933 205.422 206.600 1.00 0.00 -0.272 OA +ATOM 8755 CA TYR B 373 162.725 206.967 206.187 1.00 0.00 0.175 C +ATOM 8756 N TYR B 373 164.056 206.384 206.086 1.00 0.00 -0.343 N +ATOM 8757 CB TYR B 373 162.113 207.149 204.799 1.00 0.00 0.070 C +ATOM 8758 CG TYR B 373 162.857 208.167 203.976 1.00 0.00 -0.045 A +ATOM 8759 CD1 TYR B 373 162.771 209.520 204.275 1.00 0.00 0.007 A +ATOM 8760 CD2 TYR B 373 163.657 207.779 202.914 1.00 0.00 0.007 A +ATOM 8761 CE1 TYR B 373 163.456 210.454 203.535 1.00 0.00 0.046 A +ATOM 8762 CE2 TYR B 373 164.345 208.708 202.165 1.00 0.00 0.046 A +ATOM 8763 CZ TYR B 373 164.243 210.045 202.480 1.00 0.00 0.115 A +ATOM 8764 OH TYR B 373 164.932 210.974 201.732 1.00 0.00 -0.507 OA +ATOM 8765 HH TYR B 373 164.783 211.746 202.026 1.00 0.00 0.294 HD +ATOM 8766 H TYR B 373 164.174 205.890 205.392 1.00 0.00 0.164 HD +ATOM 8767 C GLN B 374 161.711 206.038 210.714 1.00 0.00 0.242 C +ATOM 8768 O GLN B 374 162.703 206.751 210.832 1.00 0.00 -0.273 OA +ATOM 8769 CA GLN B 374 161.357 205.435 209.366 1.00 0.00 0.171 C +ATOM 8770 N GLN B 374 162.145 206.120 208.359 1.00 0.00 -0.343 N +ATOM 8771 CB GLN B 374 161.613 203.924 209.349 1.00 0.00 0.045 C +ATOM 8772 CG GLN B 374 163.070 203.523 209.493 1.00 0.00 0.102 C +ATOM 8773 CD GLN B 374 163.253 202.014 209.566 1.00 0.00 0.217 C +ATOM 8774 OE1 GLN B 374 162.815 201.370 210.519 1.00 0.00 -0.275 OA +ATOM 8775 NE2 GLN B 374 163.896 201.445 208.555 1.00 0.00 -0.368 N +ATOM 8776 HE22 GLN B 374 164.185 201.926 207.903 1.00 0.00 0.159 HD +ATOM 8777 HE21 GLN B 374 164.024 200.594 208.551 1.00 0.00 0.159 HD +ATOM 8778 H GLN B 374 162.823 206.538 208.682 1.00 0.00 0.164 HD +ATOM 8779 C ASN B 375 160.468 205.465 214.125 1.00 0.00 0.242 C +ATOM 8780 O ASN B 375 159.446 204.824 213.898 1.00 0.00 -0.273 OA +ATOM 8781 CA ASN B 375 161.120 206.314 213.048 1.00 0.00 0.180 C +ATOM 8782 N ASN B 375 160.895 205.764 211.722 1.00 0.00 -0.342 N +ATOM 8783 CB ASN B 375 160.587 207.746 213.129 1.00 0.00 0.134 C +ATOM 8784 CG ASN B 375 161.101 208.497 214.345 1.00 0.00 0.220 C +ATOM 8785 OD1 ASN B 375 162.298 208.504 214.625 1.00 0.00 -0.275 OA +ATOM 8786 ND2 ASN B 375 160.193 209.130 215.075 1.00 0.00 -0.368 N +ATOM 8787 HD22 ASN B 375 160.433 209.570 215.774 1.00 0.00 0.159 HD +ATOM 8788 HD21 ASN B 375 159.363 209.101 214.850 1.00 0.00 0.159 HD +ATOM 8789 H ASN B 375 160.200 205.261 211.663 1.00 0.00 0.164 HD +ATOM 8790 C ARG B 376 160.716 205.836 217.629 1.00 0.00 0.242 C +ATOM 8791 O ARG B 376 161.829 206.300 217.866 1.00 0.00 -0.273 OA +ATOM 8792 CA ARG B 376 160.517 204.853 216.485 1.00 0.00 0.171 C +ATOM 8793 N ARG B 376 161.090 205.457 215.297 1.00 0.00 -0.344 N +ATOM 8794 CB ARG B 376 161.174 203.508 216.792 1.00 0.00 0.038 C +ATOM 8795 CG ARG B 376 160.419 202.651 217.799 1.00 0.00 0.040 C +ATOM 8796 CD ARG B 376 159.198 201.984 217.187 1.00 0.00 0.197 C +ATOM 8797 NE ARG B 376 159.554 201.077 216.101 1.00 0.00 -0.278 N +ATOM 8798 HE ARG B 376 159.465 201.364 215.295 1.00 0.00 0.260 HD +ATOM 8799 CZ ARG B 376 160.007 199.837 216.266 1.00 0.00 0.339 C +ATOM 8800 NH1 ARG B 376 160.174 199.332 217.480 1.00 0.00 -0.290 N +ATOM 8801 NH2 ARG B 376 160.300 199.097 215.207 1.00 0.00 -0.290 N +ATOM 8802 HH12 ARG B 376 159.986 199.806 218.173 1.00 0.00 0.256 HD +ATOM 8803 HH11 ARG B 376 160.468 198.530 217.575 1.00 0.00 0.256 HD +ATOM 8804 HH22 ARG B 376 160.195 199.418 214.416 1.00 0.00 0.256 HD +ATOM 8805 HH21 ARG B 376 160.594 198.296 215.310 1.00 0.00 0.256 HD +ATOM 8806 H ARG B 376 161.865 205.805 215.429 1.00 0.00 0.164 HD +ATOM 8807 C ILE B 377 160.452 206.682 220.572 1.00 0.00 0.243 C +ATOM 8808 O ILE B 377 160.147 205.631 221.132 1.00 0.00 -0.272 OA +ATOM 8809 CA ILE B 377 159.672 207.182 219.363 1.00 0.00 0.174 C +ATOM 8810 N ILE B 377 159.631 206.172 218.315 1.00 0.00 -0.343 N +ATOM 8811 CB ILE B 377 158.250 207.592 219.797 1.00 0.00 0.018 C +ATOM 8812 CG2 ILE B 377 158.293 208.602 220.943 1.00 0.00 0.010 C +ATOM 8813 CG1 ILE B 377 157.478 208.160 218.601 1.00 0.00 0.002 C +ATOM 8814 CD1 ILE B 377 158.089 209.414 217.980 1.00 0.00 0.004 C +ATOM 8815 H ILE B 377 158.853 205.827 218.191 1.00 0.00 0.164 HD +ATOM 8816 C ALA B 378 161.643 207.594 223.400 1.00 0.00 0.243 C +ATOM 8817 O ALA B 378 161.101 208.697 223.463 1.00 0.00 -0.272 OA +ATOM 8818 CA ALA B 378 162.292 207.120 222.109 1.00 0.00 0.168 C +ATOM 8819 N ALA B 378 161.460 207.453 220.961 1.00 0.00 -0.344 N +ATOM 8820 CB ALA B 378 163.671 207.735 221.958 1.00 0.00 0.041 C +ATOM 8821 H ALA B 378 161.686 208.185 220.570 1.00 0.00 0.164 HD +ATOM 8822 C ALA B 379 161.846 208.318 226.310 1.00 0.00 0.243 C +ATOM 8823 O ALA B 379 161.226 209.120 227.007 1.00 0.00 -0.272 OA +ATOM 8824 CA ALA B 379 161.152 207.093 225.730 1.00 0.00 0.168 C +ATOM 8825 N ALA B 379 161.704 206.755 224.427 1.00 0.00 -0.344 N +ATOM 8826 CB ALA B 379 161.281 205.914 226.677 1.00 0.00 0.041 C +ATOM 8827 H ALA B 379 162.064 205.974 224.393 1.00 0.00 0.164 HD +ATOM 8828 C GLU B 380 163.470 210.892 225.851 1.00 0.00 0.242 C +ATOM 8829 O GLU B 380 163.556 211.964 226.451 1.00 0.00 -0.273 OA +ATOM 8830 CA GLU B 380 163.902 209.592 226.521 1.00 0.00 0.171 C +ATOM 8831 N GLU B 380 163.133 208.461 226.021 1.00 0.00 -0.344 N +ATOM 8832 CB GLU B 380 165.397 209.360 226.311 1.00 0.00 0.041 C +ATOM 8833 CG GLU B 380 165.936 208.158 227.072 1.00 0.00 0.055 C +ATOM 8834 CD GLU B 380 166.159 206.938 226.190 1.00 0.00 0.041 C +ATOM 8835 OE1 GLU B 380 165.482 206.808 225.150 1.00 0.00 -0.548 OA +ATOM 8836 OE2 GLU B 380 167.019 206.105 226.544 1.00 0.00 -0.549 OA +ATOM 8837 H GLU B 380 163.587 207.916 225.535 1.00 0.00 0.164 HD +ATOM 8838 C PHE B 381 161.222 212.427 224.615 1.00 0.00 0.243 C +ATOM 8839 O PHE B 381 160.988 213.623 224.762 1.00 0.00 -0.272 OA +ATOM 8840 CA PHE B 381 162.482 211.953 223.901 1.00 0.00 0.175 C +ATOM 8841 N PHE B 381 163.016 210.795 224.605 1.00 0.00 -0.343 N +ATOM 8842 CB PHE B 381 162.178 211.606 222.442 1.00 0.00 0.070 C +ATOM 8843 CG PHE B 381 161.873 212.797 221.571 1.00 0.00 -0.045 A +ATOM 8844 CD1 PHE B 381 162.486 214.019 221.788 1.00 0.00 0.004 A +ATOM 8845 CD2 PHE B 381 160.976 212.686 220.523 1.00 0.00 0.004 A +ATOM 8846 CE1 PHE B 381 162.207 215.102 220.981 1.00 0.00 0.000 A +ATOM 8847 CE2 PHE B 381 160.697 213.767 219.713 1.00 0.00 0.000 A +ATOM 8848 CZ PHE B 381 161.312 214.976 219.944 1.00 0.00 0.000 A +ATOM 8849 H PHE B 381 163.007 210.068 224.146 1.00 0.00 0.164 HD +ATOM 8850 C ASN B 382 159.587 212.443 227.138 1.00 0.00 0.242 C +ATOM 8851 O ASN B 382 159.006 213.461 227.500 1.00 0.00 -0.273 OA +ATOM 8852 CA ASN B 382 159.213 211.763 225.827 1.00 0.00 0.180 C +ATOM 8853 N ASN B 382 160.412 211.471 225.053 1.00 0.00 -0.342 N +ATOM 8854 CB ASN B 382 158.420 210.471 226.075 1.00 0.00 0.134 C +ATOM 8855 CG ASN B 382 157.133 210.694 226.857 1.00 0.00 0.220 C +ATOM 8856 OD1 ASN B 382 157.119 211.353 227.892 1.00 0.00 -0.275 OA +ATOM 8857 ND2 ASN B 382 156.045 210.126 226.363 1.00 0.00 -0.368 N +ATOM 8858 HD22 ASN B 382 155.290 210.220 226.765 1.00 0.00 0.159 HD +ATOM 8859 HD21 ASN B 382 156.092 209.662 225.641 1.00 0.00 0.159 HD +ATOM 8860 H ASN B 382 160.537 210.632 224.913 1.00 0.00 0.164 HD +ATOM 8861 C THR B 383 161.502 213.838 229.071 1.00 0.00 0.245 C +ATOM 8862 O THR B 383 161.129 214.665 229.902 1.00 0.00 -0.273 OA +ATOM 8863 CA THR B 383 160.995 212.398 229.132 1.00 0.00 0.199 C +ATOM 8864 N THR B 383 160.574 211.887 227.830 1.00 0.00 -0.341 N +ATOM 8865 CB THR B 383 162.098 211.508 229.739 1.00 0.00 0.143 C +ATOM 8866 CG2 THR B 383 162.630 212.088 231.056 1.00 0.00 0.041 C +ATOM 8867 OG1 THR B 383 161.567 210.201 229.985 1.00 0.00 -0.389 OA +ATOM 8868 HG1 THR B 383 160.922 210.249 230.521 1.00 0.00 0.211 HD +ATOM 8869 H THR B 383 161.022 211.203 227.565 1.00 0.00 0.164 HD +ATOM 8870 C LEU B 384 161.920 216.512 227.557 1.00 0.00 0.243 C +ATOM 8871 O LEU B 384 162.145 217.709 227.719 1.00 0.00 -0.272 OA +ATOM 8872 CA LEU B 384 162.947 215.468 227.998 1.00 0.00 0.172 C +ATOM 8873 N LEU B 384 162.355 214.138 228.097 1.00 0.00 -0.345 N +ATOM 8874 CB LEU B 384 164.140 215.459 227.031 1.00 0.00 0.038 C +ATOM 8875 CG LEU B 384 163.862 215.249 225.539 1.00 0.00 -0.015 C +ATOM 8876 CD1 LEU B 384 163.653 216.575 224.818 1.00 0.00 0.007 C +ATOM 8877 CD2 LEU B 384 165.009 214.483 224.893 1.00 0.00 0.007 C +ATOM 8878 H LEU B 384 162.606 213.592 227.482 1.00 0.00 0.165 HD +ATOM 8879 C TYR B 385 158.735 217.377 227.531 1.00 0.00 0.243 C +ATOM 8880 O TYR B 385 157.748 218.031 227.202 1.00 0.00 -0.272 OA +ATOM 8881 CA TYR B 385 159.787 216.989 226.490 1.00 0.00 0.175 C +ATOM 8882 N TYR B 385 160.794 216.064 227.008 1.00 0.00 -0.343 N +ATOM 8883 CB TYR B 385 159.094 216.398 225.262 1.00 0.00 0.070 C +ATOM 8884 CG TYR B 385 159.140 217.321 224.068 1.00 0.00 -0.045 A +ATOM 8885 CD1 TYR B 385 159.753 216.934 222.885 1.00 0.00 0.007 A +ATOM 8886 CD2 TYR B 385 158.592 218.593 224.136 1.00 0.00 0.007 A +ATOM 8887 CE1 TYR B 385 159.803 217.787 221.798 1.00 0.00 0.046 A +ATOM 8888 CE2 TYR B 385 158.638 219.447 223.060 1.00 0.00 0.046 A +ATOM 8889 CZ TYR B 385 159.244 219.042 221.894 1.00 0.00 0.115 A +ATOM 8890 OH TYR B 385 159.288 219.901 220.823 1.00 0.00 -0.507 OA +ATOM 8891 HH TYR B 385 159.682 219.536 220.178 1.00 0.00 0.294 HD +ATOM 8892 H TYR B 385 160.589 215.233 226.923 1.00 0.00 0.164 HD +ATOM 8893 C HIS B 386 158.390 218.875 230.206 1.00 0.00 0.242 C +ATOM 8894 O HIS B 386 159.014 219.154 231.227 1.00 0.00 -0.272 OA +ATOM 8895 CA HIS B 386 158.063 217.427 229.853 1.00 0.00 0.177 C +ATOM 8896 N HIS B 386 158.945 216.987 228.781 1.00 0.00 -0.343 N +ATOM 8897 CB HIS B 386 158.195 216.517 231.073 1.00 0.00 0.093 C +ATOM 8898 CG HIS B 386 157.536 215.183 230.899 1.00 0.00 0.061 A +ATOM 8899 ND1 HIS B 386 156.334 214.863 231.491 1.00 0.00 -0.242 NA +ATOM 8900 CD2 HIS B 386 157.904 214.095 230.183 1.00 0.00 0.107 A +ATOM 8901 CE1 HIS B 386 155.994 213.631 231.155 1.00 0.00 0.196 A +ATOM 8902 NE2 HIS B 386 156.930 213.144 230.361 1.00 0.00 -0.350 N +ATOM 8903 HE2 HIS B 386 156.930 212.357 230.013 1.00 0.00 0.167 HD +ATOM 8904 H HIS B 386 159.586 216.472 229.034 1.00 0.00 0.164 HD +ATOM 8905 C TRP B 387 157.179 221.946 230.220 1.00 0.00 0.242 C +ATOM 8906 O TRP B 387 156.635 222.931 229.726 1.00 0.00 -0.272 OA +ATOM 8907 CA TRP B 387 158.273 221.208 229.469 1.00 0.00 0.175 C +ATOM 8908 N TRP B 387 157.967 219.788 229.334 1.00 0.00 -0.343 N +ATOM 8909 CB TRP B 387 158.454 221.852 228.096 1.00 0.00 0.072 C +ATOM 8910 CG TRP B 387 159.585 221.311 227.297 1.00 0.00 -0.020 A +ATOM 8911 CD1 TRP B 387 160.542 220.433 227.711 1.00 0.00 0.087 A +ATOM 8912 CD2 TRP B 387 159.882 221.620 225.935 1.00 0.00 0.003 A +ATOM 8913 NE1 TRP B 387 161.418 220.173 226.687 1.00 0.00 -0.359 N +ATOM 8914 CE2 TRP B 387 161.034 220.890 225.584 1.00 0.00 0.046 A +ATOM 8915 CE3 TRP B 387 159.285 222.442 224.976 1.00 0.00 0.010 A +ATOM 8916 HE1 TRP B 387 162.096 219.646 226.730 1.00 0.00 0.166 HD +ATOM 8917 CZ2 TRP B 387 161.599 220.956 224.314 1.00 0.00 0.026 A +ATOM 8918 CZ3 TRP B 387 159.847 222.508 223.719 1.00 0.00 0.001 A +ATOM 8919 CH2 TRP B 387 160.994 221.770 223.398 1.00 0.00 0.002 A +ATOM 8920 H TRP B 387 157.492 219.604 228.641 1.00 0.00 0.164 HD +ATOM 8921 C HIS B 388 156.230 223.432 232.836 1.00 0.00 0.242 C +ATOM 8922 O HIS B 388 155.372 224.215 233.235 1.00 0.00 -0.272 OA +ATOM 8923 CA HIS B 388 155.806 222.098 232.204 1.00 0.00 0.177 C +ATOM 8924 N HIS B 388 156.854 221.474 231.414 1.00 0.00 -0.343 N +ATOM 8925 CB HIS B 388 155.327 221.118 233.272 1.00 0.00 0.090 C +ATOM 8926 CG HIS B 388 154.627 219.923 232.702 1.00 0.00 0.037 A +ATOM 8927 ND1 HIS B 388 155.191 218.666 232.682 1.00 0.00 -0.347 N +ATOM 8928 CD2 HIS B 388 153.421 219.803 232.098 1.00 0.00 0.134 A +ATOM 8929 HD1 HIS B 388 155.964 218.463 233.000 1.00 0.00 0.167 HD +ATOM 8930 CE1 HIS B 388 154.356 217.821 232.104 1.00 0.00 0.196 A +ATOM 8931 NE2 HIS B 388 153.273 218.485 231.741 1.00 0.00 -0.245 NA +ATOM 8932 H HIS B 388 157.224 220.794 231.789 1.00 0.00 0.164 HD +ATOM 8933 C PRO B 389 157.447 226.145 232.367 1.00 0.00 0.243 C +ATOM 8934 O PRO B 389 157.447 227.320 232.728 1.00 0.00 -0.271 OA +ATOM 8935 CA PRO B 389 157.887 225.064 233.359 1.00 0.00 0.175 C +ATOM 8936 N PRO B 389 157.545 223.706 232.926 1.00 0.00 -0.329 N +ATOM 8937 CB PRO B 389 159.413 225.023 233.471 1.00 0.00 0.037 C +ATOM 8938 CG PRO B 389 159.742 223.597 233.695 1.00 0.00 0.024 C +ATOM 8939 CD PRO B 389 158.726 222.822 232.926 1.00 0.00 0.121 C +ATOM 8940 C LEU B 390 155.248 227.314 230.691 1.00 0.00 0.243 C +ATOM 8941 O LEU B 390 154.915 228.454 230.362 1.00 0.00 -0.272 OA +ATOM 8942 CA LEU B 390 156.537 226.695 230.171 1.00 0.00 0.172 C +ATOM 8943 N LEU B 390 157.096 225.759 231.145 1.00 0.00 -0.345 N +ATOM 8944 CB LEU B 390 156.241 225.999 228.840 1.00 0.00 0.038 C +ATOM 8945 CG LEU B 390 157.371 225.700 227.856 1.00 0.00 -0.015 C +ATOM 8946 CD1 LEU B 390 156.807 224.906 226.694 1.00 0.00 0.007 C +ATOM 8947 CD2 LEU B 390 158.022 226.973 227.359 1.00 0.00 0.007 C +ATOM 8948 H LEU B 390 157.173 224.954 230.851 1.00 0.00 0.165 HD +ATOM 8949 C LEU B 391 153.191 228.125 232.857 1.00 0.00 0.243 C +ATOM 8950 O LEU B 391 154.053 228.219 233.732 1.00 0.00 -0.272 OA +ATOM 8951 CA LEU B 391 153.181 226.924 231.905 1.00 0.00 0.172 C +ATOM 8952 N LEU B 391 154.521 226.543 231.489 1.00 0.00 -0.345 N +ATOM 8953 CB LEU B 391 152.492 225.738 232.571 1.00 0.00 0.038 C +ATOM 8954 CG LEU B 391 152.252 224.511 231.694 1.00 0.00 -0.015 C +ATOM 8955 CD1 LEU B 391 151.794 223.336 232.544 1.00 0.00 0.007 C +ATOM 8956 CD2 LEU B 391 151.228 224.819 230.616 1.00 0.00 0.007 C +ATOM 8957 H LEU B 391 154.783 225.787 231.805 1.00 0.00 0.165 HD +ATOM 8958 C PRO B 392 151.386 229.957 234.857 1.00 0.00 0.243 C +ATOM 8959 O PRO B 392 150.887 228.852 235.058 1.00 0.00 -0.271 OA +ATOM 8960 CA PRO B 392 152.131 230.233 233.555 1.00 0.00 0.175 C +ATOM 8961 N PRO B 392 152.226 229.049 232.693 1.00 0.00 -0.329 N +ATOM 8962 CB PRO B 392 151.357 231.220 232.687 1.00 0.00 0.037 C +ATOM 8963 CG PRO B 392 150.446 230.351 231.890 1.00 0.00 0.024 C +ATOM 8964 CD PRO B 392 151.193 229.066 231.640 1.00 0.00 0.121 C +ATOM 8965 C ASP B 393 149.078 231.015 236.741 1.00 0.00 0.242 C +ATOM 8966 O ASP B 393 148.250 230.419 237.428 1.00 0.00 -0.273 OA +ATOM 8967 CA ASP B 393 150.573 230.820 236.980 1.00 0.00 0.176 C +ATOM 8968 N ASP B 393 151.312 230.955 235.730 1.00 0.00 -0.343 N +ATOM 8969 CB ASP B 393 151.087 231.819 238.017 1.00 0.00 0.087 C +ATOM 8970 CG ASP B 393 152.478 231.475 238.518 1.00 0.00 0.044 C +ATOM 8971 OD1 ASP B 393 152.791 230.271 238.644 1.00 0.00 -0.548 OA +ATOM 8972 OD2 ASP B 393 153.258 232.412 238.787 1.00 0.00 -0.549 OA +ATOM 8973 H ASP B 393 151.681 231.724 235.621 1.00 0.00 0.164 HD +ATOM 8974 C THR B 394 147.321 232.255 233.824 1.00 0.00 0.245 C +ATOM 8975 O THR B 394 148.308 232.688 233.230 1.00 0.00 -0.273 OA +ATOM 8976 CA THR B 394 147.361 232.023 235.330 1.00 0.00 0.199 C +ATOM 8977 N THR B 394 148.742 231.852 235.764 1.00 0.00 -0.341 N +ATOM 8978 CB THR B 394 146.663 233.204 236.041 1.00 0.00 0.143 C +ATOM 8979 CG2 THR B 394 146.639 232.992 237.547 1.00 0.00 0.041 C +ATOM 8980 OG1 THR B 394 147.348 234.426 235.740 1.00 0.00 -0.389 OA +ATOM 8981 HG1 THR B 394 146.970 235.069 236.126 1.00 0.00 0.211 HD +ATOM 8982 H THR B 394 149.305 232.339 235.333 1.00 0.00 0.164 HD +ATOM 8983 C PHE B 395 145.164 233.393 231.505 1.00 0.00 0.243 C +ATOM 8984 O PHE B 395 144.079 233.564 232.055 1.00 0.00 -0.272 OA +ATOM 8985 CA PHE B 395 145.990 232.142 231.779 1.00 0.00 0.175 C +ATOM 8986 N PHE B 395 146.176 231.961 233.215 1.00 0.00 -0.343 N +ATOM 8987 CB PHE B 395 145.315 230.914 231.170 1.00 0.00 0.070 C +ATOM 8988 CG PHE B 395 146.038 229.628 231.449 1.00 0.00 -0.045 A +ATOM 8989 CD1 PHE B 395 146.967 229.130 230.550 1.00 0.00 0.004 A +ATOM 8990 CD2 PHE B 395 145.798 228.922 232.615 1.00 0.00 0.004 A +ATOM 8991 CE1 PHE B 395 147.635 227.949 230.808 1.00 0.00 0.000 A +ATOM 8992 CE2 PHE B 395 146.465 227.742 232.876 1.00 0.00 0.000 A +ATOM 8993 CZ PHE B 395 147.384 227.256 231.972 1.00 0.00 0.000 A +ATOM 8994 H PHE B 395 145.483 231.650 233.618 1.00 0.00 0.164 HD +ATOM 8995 C GLN B 396 144.401 235.479 228.950 1.00 0.00 0.242 C +ATOM 8996 O GLN B 396 145.095 235.455 227.937 1.00 0.00 -0.273 OA +ATOM 8997 CA GLN B 396 145.050 235.530 230.327 1.00 0.00 0.171 C +ATOM 8998 N GLN B 396 145.693 234.262 230.651 1.00 0.00 -0.343 N +ATOM 8999 CB GLN B 396 146.073 236.668 230.379 1.00 0.00 0.045 C +ATOM 9000 CG GLN B 396 146.686 236.885 231.758 1.00 0.00 0.102 C +ATOM 9001 CD GLN B 396 148.115 237.393 231.698 1.00 0.00 0.217 C +ATOM 9002 OE1 GLN B 396 148.564 237.909 230.674 1.00 0.00 -0.275 OA +ATOM 9003 NE2 GLN B 396 148.839 237.244 232.801 1.00 0.00 -0.368 N +ATOM 9004 HE22 GLN B 396 148.493 236.876 233.497 1.00 0.00 0.159 HD +ATOM 9005 HE21 GLN B 396 149.655 237.515 232.820 1.00 0.00 0.159 HD +ATOM 9006 H GLN B 396 146.438 234.138 230.239 1.00 0.00 0.164 HD +ATOM 9007 C ILE B 397 141.581 236.872 227.633 1.00 0.00 0.243 C +ATOM 9008 O ILE B 397 140.782 237.172 228.517 1.00 0.00 -0.272 OA +ATOM 9009 CA ILE B 397 142.321 235.541 227.669 1.00 0.00 0.174 C +ATOM 9010 N ILE B 397 143.071 235.448 228.920 1.00 0.00 -0.343 N +ATOM 9011 CB ILE B 397 141.306 234.396 227.496 1.00 0.00 0.018 C +ATOM 9012 CG2 ILE B 397 140.745 234.403 226.076 1.00 0.00 0.010 C +ATOM 9013 CG1 ILE B 397 141.940 233.039 227.820 1.00 0.00 0.002 C +ATOM 9014 CD1 ILE B 397 143.041 232.623 226.882 1.00 0.00 0.004 C +ATOM 9015 H ILE B 397 142.574 235.373 229.618 1.00 0.00 0.164 HD +ATOM 9016 C HIS B 398 141.664 239.845 227.698 1.00 0.00 0.242 C +ATOM 9017 O HIS B 398 142.773 240.369 227.784 1.00 0.00 -0.272 OA +ATOM 9018 CA HIS B 398 141.304 239.000 226.471 1.00 0.00 0.177 C +ATOM 9019 N HIS B 398 141.856 237.659 226.599 1.00 0.00 -0.343 N +ATOM 9020 CB HIS B 398 139.787 238.949 226.261 1.00 0.00 0.093 C +ATOM 9021 CG HIS B 398 139.190 240.263 225.860 1.00 0.00 0.061 A +ATOM 9022 ND1 HIS B 398 139.940 241.413 225.737 1.00 0.00 -0.242 NA +ATOM 9023 CD2 HIS B 398 137.919 240.608 225.545 1.00 0.00 0.107 A +ATOM 9024 CE1 HIS B 398 139.157 242.410 225.368 1.00 0.00 0.196 A +ATOM 9025 NE2 HIS B 398 137.926 241.949 225.244 1.00 0.00 -0.350 N +ATOM 9026 HE2 HIS B 398 137.239 242.412 225.013 1.00 0.00 0.167 HD +ATOM 9027 H HIS B 398 142.370 237.433 225.947 1.00 0.00 0.164 HD +ATOM 9028 C ASP B 399 140.578 240.030 231.106 1.00 0.00 0.242 C +ATOM 9029 O ASP B 399 140.419 240.631 232.170 1.00 0.00 -0.273 OA +ATOM 9030 CA ASP B 399 140.944 240.791 229.834 1.00 0.00 0.176 C +ATOM 9031 N ASP B 399 140.737 239.969 228.644 1.00 0.00 -0.343 N +ATOM 9032 CB ASP B 399 140.121 242.077 229.736 1.00 0.00 0.087 C +ATOM 9033 CG ASP B 399 138.649 241.809 229.492 1.00 0.00 0.044 C +ATOM 9034 OD1 ASP B 399 138.324 240.730 228.954 1.00 0.00 -0.548 OA +ATOM 9035 OD2 ASP B 399 137.822 242.679 229.834 1.00 0.00 -0.549 OA +ATOM 9036 H ASP B 399 139.970 239.582 228.620 1.00 0.00 0.164 HD +ATOM 9037 C GLN B 400 141.260 236.918 232.467 1.00 0.00 0.242 C +ATOM 9038 O GLN B 400 141.987 236.469 231.581 1.00 0.00 -0.273 OA +ATOM 9039 CA GLN B 400 140.109 237.860 232.129 1.00 0.00 0.171 C +ATOM 9040 N GLN B 400 140.449 238.710 230.992 1.00 0.00 -0.343 N +ATOM 9041 CB GLN B 400 138.843 237.051 231.839 1.00 0.00 0.045 C +ATOM 9042 CG GLN B 400 137.643 237.898 231.436 1.00 0.00 0.102 C +ATOM 9043 CD GLN B 400 136.356 237.096 231.369 1.00 0.00 0.217 C +ATOM 9044 OE1 GLN B 400 136.057 236.305 232.263 1.00 0.00 -0.275 OA +ATOM 9045 NE2 GLN B 400 135.590 237.293 230.303 1.00 0.00 -0.368 N +ATOM 9046 HE22 GLN B 400 135.833 237.852 229.696 1.00 0.00 0.159 HD +ATOM 9047 HE21 GLN B 400 134.851 236.862 230.219 1.00 0.00 0.159 HD +ATOM 9048 H GLN B 400 140.554 238.278 230.256 1.00 0.00 0.164 HD +ATOM 9049 C LYS B 401 141.806 234.423 234.758 1.00 0.00 0.242 C +ATOM 9050 O LYS B 401 140.772 234.469 235.423 1.00 0.00 -0.273 OA +ATOM 9051 CA LYS B 401 142.443 235.700 234.226 1.00 0.00 0.171 C +ATOM 9052 N LYS B 401 141.419 236.628 233.755 1.00 0.00 -0.344 N +ATOM 9053 CB LYS B 401 143.305 236.347 235.313 1.00 0.00 0.035 C +ATOM 9054 CG LYS B 401 144.216 237.459 234.808 1.00 0.00 0.008 C +ATOM 9055 CD LYS B 401 145.236 237.858 235.865 1.00 0.00 0.061 C +ATOM 9056 CE LYS B 401 146.169 238.949 235.363 1.00 0.00 0.258 C +ATOM 9057 NZ LYS B 401 145.464 240.245 235.168 1.00 0.00 -0.357 N +ATOM 9058 HZ1 LYS B 401 146.036 240.861 234.875 1.00 0.00 0.345 HD +ATOM 9059 HZ2 LYS B 401 144.811 240.149 234.570 1.00 0.00 0.345 HD +ATOM 9060 HZ3 LYS B 401 145.113 240.520 235.938 1.00 0.00 0.345 HD +ATOM 9061 H LYS B 401 140.938 236.961 234.386 1.00 0.00 0.164 HD +ATOM 9062 C TYR B 402 143.027 231.205 235.621 1.00 0.00 0.243 C +ATOM 9063 O TYR B 402 144.126 231.042 235.095 1.00 0.00 -0.272 OA +ATOM 9064 CA TYR B 402 141.938 231.988 234.899 1.00 0.00 0.175 C +ATOM 9065 N TYR B 402 142.428 233.289 234.454 1.00 0.00 -0.343 N +ATOM 9066 CB TYR B 402 141.430 231.171 233.710 1.00 0.00 0.070 C +ATOM 9067 CG TYR B 402 140.362 231.858 232.897 1.00 0.00 -0.045 A +ATOM 9068 CD1 TYR B 402 139.027 231.795 233.274 1.00 0.00 0.007 A +ATOM 9069 CD2 TYR B 402 140.685 232.563 231.747 1.00 0.00 0.007 A +ATOM 9070 CE1 TYR B 402 138.047 232.419 232.533 1.00 0.00 0.046 A +ATOM 9071 CE2 TYR B 402 139.712 233.190 230.999 1.00 0.00 0.046 A +ATOM 9072 CZ TYR B 402 138.397 233.113 231.398 1.00 0.00 0.115 A +ATOM 9073 OH TYR B 402 137.424 233.735 230.658 1.00 0.00 -0.507 OA +ATOM 9074 HH TYR B 402 137.769 234.120 229.996 1.00 0.00 0.294 HD +ATOM 9075 H TYR B 402 143.147 233.245 233.984 1.00 0.00 0.164 HD +ATOM 9076 C ASN B 403 143.455 228.413 236.865 1.00 0.00 0.242 C +ATOM 9077 O ASN B 403 142.648 228.241 235.953 1.00 0.00 -0.273 OA +ATOM 9078 CA ASN B 403 143.628 229.792 237.492 1.00 0.00 0.180 C +ATOM 9079 N ASN B 403 142.725 230.720 236.822 1.00 0.00 -0.342 N +ATOM 9080 CB ASN B 403 143.388 229.759 239.013 1.00 0.00 0.134 C +ATOM 9081 CG ASN B 403 141.988 229.288 239.400 1.00 0.00 0.220 C +ATOM 9082 OD1 ASN B 403 141.365 228.482 238.714 1.00 0.00 -0.275 OA +ATOM 9083 ND2 ASN B 403 141.500 229.785 240.529 1.00 0.00 -0.368 N +ATOM 9084 HD22 ASN B 403 140.716 229.555 240.797 1.00 0.00 0.159 HD +ATOM 9085 HD21 ASN B 403 141.969 230.336 240.994 1.00 0.00 0.159 HD +ATOM 9086 H ASN B 403 142.013 230.910 237.265 1.00 0.00 0.164 HD +ATOM 9087 C TYR B 404 142.829 225.410 237.039 1.00 0.00 0.243 C +ATOM 9088 O TYR B 404 142.313 224.685 236.191 1.00 0.00 -0.272 OA +ATOM 9089 CA TYR B 404 144.159 226.099 236.762 1.00 0.00 0.175 C +ATOM 9090 N TYR B 404 144.211 227.433 237.343 1.00 0.00 -0.343 N +ATOM 9091 CB TYR B 404 145.312 225.249 237.289 1.00 0.00 0.070 C +ATOM 9092 CG TYR B 404 146.622 225.560 236.609 1.00 0.00 -0.045 A +ATOM 9093 CD1 TYR B 404 147.368 226.670 236.977 1.00 0.00 0.007 A +ATOM 9094 CD2 TYR B 404 147.103 224.754 235.589 1.00 0.00 0.007 A +ATOM 9095 CE1 TYR B 404 148.559 226.963 236.353 1.00 0.00 0.046 A +ATOM 9096 CE2 TYR B 404 148.293 225.039 234.960 1.00 0.00 0.046 A +ATOM 9097 CZ TYR B 404 149.016 226.145 235.346 1.00 0.00 0.115 A +ATOM 9098 OH TYR B 404 150.203 226.435 234.725 1.00 0.00 -0.507 OA +ATOM 9099 HH TYR B 404 150.539 227.131 235.056 1.00 0.00 0.294 HD +ATOM 9100 H TYR B 404 144.760 227.514 238.000 1.00 0.00 0.164 HD +ATOM 9101 C GLN B 405 139.895 225.277 237.671 1.00 0.00 0.242 C +ATOM 9102 O GLN B 405 139.050 224.413 237.442 1.00 0.00 -0.273 OA +ATOM 9103 CA GLN B 405 141.042 225.003 238.643 1.00 0.00 0.171 C +ATOM 9104 N GLN B 405 142.278 225.652 238.224 1.00 0.00 -0.343 N +ATOM 9105 CB GLN B 405 140.651 225.471 240.045 1.00 0.00 0.045 C +ATOM 9106 CG GLN B 405 139.691 224.539 240.760 1.00 0.00 0.102 C +ATOM 9107 CD GLN B 405 140.361 223.259 241.217 1.00 0.00 0.217 C +ATOM 9108 OE1 GLN B 405 140.258 222.221 240.562 1.00 0.00 -0.275 OA +ATOM 9109 NE2 GLN B 405 141.053 223.327 242.348 1.00 0.00 -0.368 N +ATOM 9110 HE22 GLN B 405 141.102 224.070 242.779 1.00 0.00 0.159 HD +ATOM 9111 HE21 GLN B 405 141.452 222.628 242.651 1.00 0.00 0.159 HD +ATOM 9112 H GLN B 405 142.604 226.193 238.808 1.00 0.00 0.164 HD +ATOM 9113 C GLN B 406 139.110 226.931 234.776 1.00 0.00 0.242 C +ATOM 9114 O GLN B 406 138.225 227.074 233.933 1.00 0.00 -0.273 OA +ATOM 9115 CA GLN B 406 138.766 226.917 236.262 1.00 0.00 0.171 C +ATOM 9116 N GLN B 406 139.875 226.479 237.105 1.00 0.00 -0.343 N +ATOM 9117 CB GLN B 406 138.303 228.310 236.704 1.00 0.00 0.045 C +ATOM 9118 CG GLN B 406 139.361 229.410 236.572 1.00 0.00 0.102 C +ATOM 9119 CD GLN B 406 139.179 230.589 237.541 1.00 0.00 0.217 C +ATOM 9120 OE1 GLN B 406 139.818 231.620 237.372 1.00 0.00 -0.275 OA +ATOM 9121 NE2 GLN B 406 138.324 230.446 238.551 1.00 0.00 -0.368 N +ATOM 9122 HE22 GLN B 406 137.892 229.709 238.647 1.00 0.00 0.159 HD +ATOM 9123 HE21 GLN B 406 138.204 231.091 239.108 1.00 0.00 0.159 HD +ATOM 9124 H GLN B 406 140.497 227.065 237.194 1.00 0.00 0.164 HD +ATOM 9125 C PHE B 407 140.797 225.324 232.504 1.00 0.00 0.243 C +ATOM 9126 O PHE B 407 140.437 225.114 231.348 1.00 0.00 -0.272 OA +ATOM 9127 CA PHE B 407 140.837 226.744 233.064 1.00 0.00 0.175 C +ATOM 9128 N PHE B 407 140.391 226.773 234.455 1.00 0.00 -0.343 N +ATOM 9129 CB PHE B 407 142.252 227.318 232.942 1.00 0.00 0.070 C +ATOM 9130 CG PHE B 407 142.708 227.521 231.524 1.00 0.00 -0.045 A +ATOM 9131 CD1 PHE B 407 142.143 228.511 230.737 1.00 0.00 0.004 A +ATOM 9132 CD2 PHE B 407 143.713 226.734 230.984 1.00 0.00 0.004 A +ATOM 9133 CE1 PHE B 407 142.564 228.705 229.435 1.00 0.00 0.000 A +ATOM 9134 CE2 PHE B 407 144.141 226.927 229.682 1.00 0.00 0.000 A +ATOM 9135 CZ PHE B 407 143.565 227.911 228.908 1.00 0.00 0.000 A +ATOM 9136 H PHE B 407 141.026 226.679 235.027 1.00 0.00 0.164 HD +ATOM 9137 C ILE B 408 139.826 222.381 232.634 1.00 0.00 0.243 C +ATOM 9138 O ILE B 408 138.888 222.581 233.404 1.00 0.00 -0.272 OA +ATOM 9139 CA ILE B 408 141.216 222.955 232.917 1.00 0.00 0.174 C +ATOM 9140 N ILE B 408 141.158 224.353 233.335 1.00 0.00 -0.343 N +ATOM 9141 CB ILE B 408 141.946 222.100 233.989 1.00 0.00 0.018 C +ATOM 9142 CG2 ILE B 408 141.345 220.701 234.118 1.00 0.00 0.010 C +ATOM 9143 CG1 ILE B 408 143.427 221.964 233.630 1.00 0.00 0.002 C +ATOM 9144 CD1 ILE B 408 144.147 223.283 233.442 1.00 0.00 0.004 C +ATOM 9145 H ILE B 408 141.377 224.478 234.158 1.00 0.00 0.164 HD +ATOM 9146 C TYR B 409 137.303 221.938 230.890 1.00 0.00 0.243 C +ATOM 9147 O TYR B 409 136.159 221.497 230.838 1.00 0.00 -0.272 OA +ATOM 9148 CA TYR B 409 138.489 220.988 231.100 1.00 0.00 0.175 C +ATOM 9149 N TYR B 409 139.718 221.672 231.511 1.00 0.00 -0.343 N +ATOM 9150 CB TYR B 409 138.109 219.904 232.124 1.00 0.00 0.070 C +ATOM 9151 CG TYR B 409 138.930 218.637 232.017 1.00 0.00 -0.045 A +ATOM 9152 CD1 TYR B 409 138.955 217.902 230.841 1.00 0.00 0.007 A +ATOM 9153 CD2 TYR B 409 139.662 218.166 233.097 1.00 0.00 0.007 A +ATOM 9154 CE1 TYR B 409 139.699 216.741 230.738 1.00 0.00 0.046 A +ATOM 9155 CE2 TYR B 409 140.410 217.007 233.004 1.00 0.00 0.046 A +ATOM 9156 CZ TYR B 409 140.424 216.299 231.822 1.00 0.00 0.115 A +ATOM 9157 OH TYR B 409 141.163 215.145 231.720 1.00 0.00 -0.507 OA +ATOM 9158 HH TYR B 409 141.554 214.990 232.446 1.00 0.00 0.294 HD +ATOM 9159 H TYR B 409 140.364 221.570 230.952 1.00 0.00 0.164 HD +ATOM 9160 C ASN B 410 136.521 224.725 229.076 1.00 0.00 0.242 C +ATOM 9161 O ASN B 410 137.220 225.677 228.731 1.00 0.00 -0.273 OA +ATOM 9162 CA ASN B 410 136.537 224.227 230.521 1.00 0.00 0.180 C +ATOM 9163 N ASN B 410 137.584 223.231 230.742 1.00 0.00 -0.342 N +ATOM 9164 CB ASN B 410 136.721 225.409 231.479 1.00 0.00 0.134 C +ATOM 9165 CG ASN B 410 135.500 226.313 231.538 1.00 0.00 0.220 C +ATOM 9166 OD1 ASN B 410 134.601 226.224 230.704 1.00 0.00 -0.275 OA +ATOM 9167 ND2 ASN B 410 135.470 227.197 232.531 1.00 0.00 -0.368 N +ATOM 9168 HD22 ASN B 410 136.117 227.227 233.096 1.00 0.00 0.159 HD +ATOM 9169 HD21 ASN B 410 134.674 227.844 232.623 1.00 0.00 0.159 HD +ATOM 9170 H ASN B 410 138.378 223.559 230.765 1.00 0.00 0.164 HD +ATOM 9171 C ASN B 411 134.648 225.667 226.619 1.00 0.00 0.242 C +ATOM 9172 O ASN B 411 134.611 226.244 225.531 1.00 0.00 -0.273 OA +ATOM 9173 CA ASN B 411 135.595 224.487 226.834 1.00 0.00 0.180 C +ATOM 9174 N ASN B 411 135.710 224.089 228.236 1.00 0.00 -0.342 N +ATOM 9175 CB ASN B 411 135.132 223.302 225.985 1.00 0.00 0.134 C +ATOM 9176 CG ASN B 411 136.220 222.266 225.785 1.00 0.00 0.220 C +ATOM 9177 OD1 ASN B 411 137.397 222.602 225.646 1.00 0.00 -0.275 OA +ATOM 9178 ND2 ASN B 411 135.831 220.997 225.769 1.00 0.00 -0.368 N +ATOM 9179 HD22 ASN B 411 136.410 220.371 225.659 1.00 0.00 0.159 HD +ATOM 9180 HD21 ASN B 411 135.000 220.801 225.869 1.00 0.00 0.159 HD +ATOM 9181 H ASN B 411 135.213 223.422 228.453 1.00 0.00 0.164 HD +ATOM 9182 C SER B 412 133.834 228.441 227.380 1.00 0.00 0.244 C +ATOM 9183 O SER B 412 133.410 229.399 226.736 1.00 0.00 -0.272 OA +ATOM 9184 CA SER B 412 132.998 227.177 227.540 1.00 0.00 0.197 C +ATOM 9185 N SER B 412 133.884 226.026 227.644 1.00 0.00 -0.342 N +ATOM 9186 CB SER B 412 132.089 227.285 228.763 1.00 0.00 0.191 C +ATOM 9187 OG SER B 412 132.542 228.297 229.641 1.00 0.00 -0.392 OA +ATOM 9188 HG SER B 412 133.321 228.123 229.902 1.00 0.00 0.210 HD +ATOM 9189 H SER B 412 133.860 225.623 228.403 1.00 0.00 0.164 HD +ATOM 9190 C ILE B 413 136.280 229.737 226.331 1.00 0.00 0.243 C +ATOM 9191 O ILE B 413 136.360 230.870 225.854 1.00 0.00 -0.272 OA +ATOM 9192 CA ILE B 413 135.973 229.529 227.809 1.00 0.00 0.174 C +ATOM 9193 N ILE B 413 135.026 228.432 227.970 1.00 0.00 -0.343 N +ATOM 9194 CB ILE B 413 137.286 229.263 228.582 1.00 0.00 0.018 C +ATOM 9195 CG2 ILE B 413 138.349 230.315 228.233 1.00 0.00 0.010 C +ATOM 9196 CG1 ILE B 413 137.012 229.258 230.088 1.00 0.00 0.002 C +ATOM 9197 CD1 ILE B 413 138.228 228.955 230.947 1.00 0.00 0.004 C +ATOM 9198 H ILE B 413 135.312 227.796 228.472 1.00 0.00 0.164 HD +ATOM 9199 C LEU B 414 135.612 229.316 223.403 1.00 0.00 0.243 C +ATOM 9200 O LEU B 414 135.828 230.178 222.551 1.00 0.00 -0.272 OA +ATOM 9201 CA LEU B 414 136.765 228.689 224.191 1.00 0.00 0.172 C +ATOM 9202 N LEU B 414 136.451 228.634 225.612 1.00 0.00 -0.345 N +ATOM 9203 CB LEU B 414 137.073 227.285 223.666 1.00 0.00 0.038 C +ATOM 9204 CG LEU B 414 137.642 227.192 222.249 1.00 0.00 -0.015 C +ATOM 9205 CD1 LEU B 414 139.004 227.859 222.172 1.00 0.00 0.007 C +ATOM 9206 CD2 LEU B 414 137.734 225.738 221.813 1.00 0.00 0.007 C +ATOM 9207 H LEU B 414 136.390 227.836 225.927 1.00 0.00 0.165 HD +ATOM 9208 C LEU B 415 132.971 230.873 223.442 1.00 0.00 0.243 C +ATOM 9209 O LEU B 415 132.565 231.699 222.626 1.00 0.00 -0.272 OA +ATOM 9210 CA LEU B 415 133.207 229.425 223.036 1.00 0.00 0.172 C +ATOM 9211 N LEU B 415 134.390 228.882 223.696 1.00 0.00 -0.345 N +ATOM 9212 CB LEU B 415 131.972 228.589 223.371 1.00 0.00 0.038 C +ATOM 9213 CG LEU B 415 131.975 227.126 222.925 1.00 0.00 -0.015 C +ATOM 9214 CD1 LEU B 415 130.607 226.513 223.175 1.00 0.00 0.007 C +ATOM 9215 CD2 LEU B 415 132.368 226.989 221.461 1.00 0.00 0.007 C +ATOM 9216 H LEU B 415 134.218 228.271 224.276 1.00 0.00 0.165 HD +ATOM 9217 C GLU B 416 133.831 233.552 224.497 1.00 0.00 0.242 C +ATOM 9218 O GLU B 416 133.292 234.602 224.146 1.00 0.00 -0.273 OA +ATOM 9219 CA GLU B 416 133.042 232.495 225.268 1.00 0.00 0.171 C +ATOM 9220 N GLU B 416 133.225 231.160 224.712 1.00 0.00 -0.344 N +ATOM 9221 CB GLU B 416 133.458 232.491 226.742 1.00 0.00 0.041 C +ATOM 9222 CG GLU B 416 133.311 233.819 227.464 1.00 0.00 0.055 C +ATOM 9223 CD GLU B 416 133.624 233.705 228.948 1.00 0.00 0.041 C +ATOM 9224 OE1 GLU B 416 133.533 232.582 229.497 1.00 0.00 -0.548 OA +ATOM 9225 OE2 GLU B 416 133.966 234.735 229.566 1.00 0.00 -0.549 OA +ATOM 9226 H GLU B 416 133.511 230.586 225.285 1.00 0.00 0.164 HD +ATOM 9227 C HIS B 417 136.178 233.981 222.092 1.00 0.00 0.242 C +ATOM 9228 O HIS B 417 136.400 234.922 221.331 1.00 0.00 -0.272 OA +ATOM 9229 CA HIS B 417 135.997 234.223 223.588 1.00 0.00 0.177 C +ATOM 9230 N HIS B 417 135.101 233.260 224.224 1.00 0.00 -0.343 N +ATOM 9231 CB HIS B 417 137.362 234.188 224.270 1.00 0.00 0.090 C +ATOM 9232 CG HIS B 417 137.317 234.544 225.720 1.00 0.00 0.037 A +ATOM 9233 ND1 HIS B 417 137.301 235.849 226.165 1.00 0.00 -0.347 N +ATOM 9234 CD2 HIS B 417 137.286 233.767 226.829 1.00 0.00 0.134 A +ATOM 9235 HD1 HIS B 417 137.315 236.546 225.662 1.00 0.00 0.167 HD +ATOM 9236 CE1 HIS B 417 137.263 235.860 227.485 1.00 0.00 0.196 A +ATOM 9237 NE2 HIS B 417 137.251 234.610 227.912 1.00 0.00 -0.245 NA +ATOM 9238 H HIS B 417 135.471 232.504 224.399 1.00 0.00 0.164 HD +ATOM 9239 C GLY B 418 137.791 232.218 219.978 1.00 0.00 0.239 C +ATOM 9240 O GLY B 418 138.635 232.680 220.744 1.00 0.00 -0.273 OA +ATOM 9241 CA GLY B 418 136.312 232.364 220.285 1.00 0.00 0.216 C +ATOM 9242 N GLY B 418 136.095 232.721 221.676 1.00 0.00 -0.346 N +ATOM 9243 H GLY B 418 135.912 232.053 222.185 1.00 0.00 0.164 HD +ATOM 9244 C ILE B 419 140.309 232.557 218.301 1.00 0.00 0.243 C +ATOM 9245 O ILE B 419 141.456 232.623 218.736 1.00 0.00 -0.272 OA +ATOM 9246 CA ILE B 419 139.487 231.287 218.498 1.00 0.00 0.174 C +ATOM 9247 N ILE B 419 138.103 231.580 218.854 1.00 0.00 -0.343 N +ATOM 9248 CB ILE B 419 139.568 230.432 217.211 1.00 0.00 0.018 C +ATOM 9249 CG2 ILE B 419 141.025 230.204 216.789 1.00 0.00 0.010 C +ATOM 9250 CG1 ILE B 419 138.860 229.087 217.409 1.00 0.00 0.002 C +ATOM 9251 CD1 ILE B 419 139.491 228.190 218.454 1.00 0.00 0.004 C +ATOM 9252 H ILE B 419 137.528 231.305 218.277 1.00 0.00 0.164 HD +ATOM 9253 C THR B 420 141.018 235.424 218.612 1.00 0.00 0.245 C +ATOM 9254 O THR B 420 142.197 235.773 218.654 1.00 0.00 -0.273 OA +ATOM 9255 CA THR B 420 140.439 234.796 217.351 1.00 0.00 0.199 C +ATOM 9256 N THR B 420 139.727 233.554 217.643 1.00 0.00 -0.341 N +ATOM 9257 CB THR B 420 139.520 235.825 216.665 1.00 0.00 0.143 C +ATOM 9258 CG2 THR B 420 140.278 237.114 216.354 1.00 0.00 0.041 C +ATOM 9259 OG1 THR B 420 139.017 235.274 215.444 1.00 0.00 -0.389 OA +ATOM 9260 HG1 THR B 420 139.654 235.085 214.930 1.00 0.00 0.211 HD +ATOM 9261 H THR B 420 138.918 233.537 217.352 1.00 0.00 0.164 HD +ATOM 9262 C GLN B 421 141.691 235.333 221.576 1.00 0.00 0.242 C +ATOM 9263 O GLN B 421 142.589 235.873 222.221 1.00 0.00 -0.273 OA +ATOM 9264 CA GLN B 421 140.613 236.171 220.888 1.00 0.00 0.171 C +ATOM 9265 N GLN B 421 140.187 235.559 219.638 1.00 0.00 -0.343 N +ATOM 9266 CB GLN B 421 139.415 236.359 221.819 1.00 0.00 0.045 C +ATOM 9267 CG GLN B 421 139.721 237.159 223.073 1.00 0.00 0.102 C +ATOM 9268 CD GLN B 421 140.261 238.542 222.763 1.00 0.00 0.217 C +ATOM 9269 OE1 GLN B 421 141.465 238.787 222.857 1.00 0.00 -0.275 OA +ATOM 9270 NE2 GLN B 421 139.372 239.455 222.390 1.00 0.00 -0.368 N +ATOM 9271 HE22 GLN B 421 138.540 239.247 222.334 1.00 0.00 0.159 HD +ATOM 9272 HE21 GLN B 421 139.629 240.254 222.203 1.00 0.00 0.159 HD +ATOM 9273 H GLN B 421 139.366 235.303 219.635 1.00 0.00 0.164 HD +ATOM 9274 C PHE B 422 143.967 233.343 221.407 1.00 0.00 0.243 C +ATOM 9275 O PHE B 422 144.959 233.447 222.127 1.00 0.00 -0.272 OA +ATOM 9276 CA PHE B 422 142.586 233.108 222.009 1.00 0.00 0.175 C +ATOM 9277 N PHE B 422 141.596 234.015 221.436 1.00 0.00 -0.343 N +ATOM 9278 CB PHE B 422 142.169 231.654 221.788 1.00 0.00 0.070 C +ATOM 9279 CG PHE B 422 141.552 231.008 222.992 1.00 0.00 -0.045 A +ATOM 9280 CD1 PHE B 422 140.358 231.477 223.511 1.00 0.00 0.004 A +ATOM 9281 CD2 PHE B 422 142.161 229.924 223.598 1.00 0.00 0.004 A +ATOM 9282 CE1 PHE B 422 139.790 230.880 224.617 1.00 0.00 0.000 A +ATOM 9283 CE2 PHE B 422 141.596 229.325 224.703 1.00 0.00 0.000 A +ATOM 9284 CZ PHE B 422 140.409 229.803 225.213 1.00 0.00 0.000 A +ATOM 9285 H PHE B 422 140.963 233.618 221.010 1.00 0.00 0.164 HD +ATOM 9286 C VAL B 423 145.893 234.976 219.721 1.00 0.00 0.243 C +ATOM 9287 O VAL B 423 147.098 235.065 219.951 1.00 0.00 -0.272 OA +ATOM 9288 CA VAL B 423 145.270 233.629 219.361 1.00 0.00 0.173 C +ATOM 9289 N VAL B 423 144.019 233.420 220.081 1.00 0.00 -0.343 N +ATOM 9290 CB VAL B 423 145.048 233.548 217.835 1.00 0.00 0.015 C +ATOM 9291 CG1 VAL B 423 146.325 233.888 217.071 1.00 0.00 0.010 C +ATOM 9292 CG2 VAL B 423 144.553 232.161 217.448 1.00 0.00 0.010 C +ATOM 9293 H VAL B 423 143.332 233.353 219.569 1.00 0.00 0.164 HD +ATOM 9294 C GLU B 424 146.107 237.380 221.530 1.00 0.00 0.242 C +ATOM 9295 O GLU B 424 147.147 237.985 221.795 1.00 0.00 -0.273 OA +ATOM 9296 CA GLU B 424 145.554 237.354 220.110 1.00 0.00 0.171 C +ATOM 9297 N GLU B 424 145.072 236.020 219.768 1.00 0.00 -0.344 N +ATOM 9298 CB GLU B 424 144.435 238.388 219.963 1.00 0.00 0.041 C +ATOM 9299 CG GLU B 424 144.011 238.634 218.525 1.00 0.00 0.055 C +ATOM 9300 CD GLU B 424 142.858 239.613 218.407 1.00 0.00 0.041 C +ATOM 9301 OE1 GLU B 424 142.006 239.651 219.321 1.00 0.00 -0.548 OA +ATOM 9302 OE2 GLU B 424 142.808 240.346 217.398 1.00 0.00 -0.549 OA +ATOM 9303 H GLU B 424 144.228 235.983 219.606 1.00 0.00 0.164 HD +ATOM 9304 C SER B 425 147.101 235.859 224.007 1.00 0.00 0.244 C +ATOM 9305 O SER B 425 148.082 236.363 224.552 1.00 0.00 -0.272 OA +ATOM 9306 CA SER B 425 145.812 236.657 223.831 1.00 0.00 0.197 C +ATOM 9307 N SER B 425 145.403 236.714 222.437 1.00 0.00 -0.342 N +ATOM 9308 CB SER B 425 144.702 236.042 224.682 1.00 0.00 0.191 C +ATOM 9309 OG SER B 425 143.543 236.856 224.677 1.00 0.00 -0.392 OA +ATOM 9310 HG SER B 425 143.256 236.943 223.893 1.00 0.00 0.210 HD +ATOM 9311 H SER B 425 144.678 236.284 222.267 1.00 0.00 0.164 HD +ATOM 9312 C PHE B 426 149.486 234.244 223.031 1.00 0.00 0.243 C +ATOM 9313 O PHE B 426 150.590 234.034 223.523 1.00 0.00 -0.272 OA +ATOM 9314 CA PHE B 426 148.232 233.717 223.712 1.00 0.00 0.175 C +ATOM 9315 N PHE B 426 147.090 234.612 223.546 1.00 0.00 -0.343 N +ATOM 9316 CB PHE B 426 147.909 232.323 223.165 1.00 0.00 0.070 C +ATOM 9317 CG PHE B 426 146.952 231.530 224.015 1.00 0.00 -0.045 A +ATOM 9318 CD1 PHE B 426 146.654 231.915 225.313 1.00 0.00 0.004 A +ATOM 9319 CD2 PHE B 426 146.357 230.387 223.512 1.00 0.00 0.004 A +ATOM 9320 CE1 PHE B 426 145.784 231.178 226.083 1.00 0.00 0.000 A +ATOM 9321 CE2 PHE B 426 145.483 229.648 224.281 1.00 0.00 0.000 A +ATOM 9322 CZ PHE B 426 145.195 230.044 225.567 1.00 0.00 0.000 A +ATOM 9323 H PHE B 426 146.427 234.256 223.129 1.00 0.00 0.164 HD +ATOM 9324 C THR B 427 151.154 236.528 222.077 1.00 0.00 0.245 C +ATOM 9325 O THR B 427 152.355 236.748 221.955 1.00 0.00 -0.273 OA +ATOM 9326 CA THR B 427 150.454 235.493 221.196 1.00 0.00 0.199 C +ATOM 9327 N THR B 427 149.319 234.919 221.901 1.00 0.00 -0.341 N +ATOM 9328 CB THR B 427 150.023 236.144 219.866 1.00 0.00 0.143 C +ATOM 9329 CG2 THR B 427 151.219 236.751 219.132 1.00 0.00 0.041 C +ATOM 9330 OG1 THR B 427 149.415 235.155 219.026 1.00 0.00 -0.389 OA +ATOM 9331 HG1 THR B 427 148.741 234.831 219.406 1.00 0.00 0.211 HD +ATOM 9332 H THR B 427 148.559 235.058 221.523 1.00 0.00 0.164 HD +ATOM 9333 C ARG B 428 151.465 237.692 225.176 1.00 0.00 0.242 C +ATOM 9334 O ARG B 428 152.276 238.365 225.808 1.00 0.00 -0.273 OA +ATOM 9335 CA ARG B 428 150.925 238.201 223.838 1.00 0.00 0.171 C +ATOM 9336 N ARG B 428 150.397 237.144 222.980 1.00 0.00 -0.344 N +ATOM 9337 CB ARG B 428 149.845 239.253 224.105 1.00 0.00 0.038 C +ATOM 9338 CG ARG B 428 149.650 240.251 222.973 1.00 0.00 0.040 C +ATOM 9339 CD ARG B 428 148.792 241.422 223.413 1.00 0.00 0.197 C +ATOM 9340 NE ARG B 428 147.476 240.991 223.889 1.00 0.00 -0.278 N +ATOM 9341 HE ARG B 428 146.987 240.541 223.342 1.00 0.00 0.260 HD +ATOM 9342 CZ ARG B 428 146.971 241.235 225.097 1.00 0.00 0.339 C +ATOM 9343 NH1 ARG B 428 147.653 241.928 226.002 1.00 0.00 -0.290 N +ATOM 9344 NH2 ARG B 428 145.762 240.786 225.405 1.00 0.00 -0.290 N +ATOM 9345 HH12 ARG B 428 148.438 242.225 225.814 1.00 0.00 0.256 HD +ATOM 9346 HH11 ARG B 428 147.311 242.078 226.776 1.00 0.00 0.256 HD +ATOM 9347 HH22 ARG B 428 145.310 240.338 224.827 1.00 0.00 0.256 HD +ATOM 9348 HH21 ARG B 428 145.430 240.943 226.182 1.00 0.00 0.256 HD +ATOM 9349 H ARG B 428 149.566 236.967 223.116 1.00 0.00 0.164 HD +ATOM 9350 C GLN B 429 152.695 235.228 226.927 1.00 0.00 0.242 C +ATOM 9351 O GLN B 429 152.844 234.275 226.170 1.00 0.00 -0.273 OA +ATOM 9352 CA GLN B 429 151.392 236.020 226.935 1.00 0.00 0.171 C +ATOM 9353 N GLN B 429 151.023 236.515 225.609 1.00 0.00 -0.343 N +ATOM 9354 CB GLN B 429 150.280 235.150 227.515 1.00 0.00 0.045 C +ATOM 9355 CG GLN B 429 150.623 234.611 228.895 1.00 0.00 0.102 C +ATOM 9356 CD GLN B 429 149.420 234.096 229.653 1.00 0.00 0.217 C +ATOM 9357 OE1 GLN B 429 148.322 233.984 229.106 1.00 0.00 -0.275 OA +ATOM 9358 NE2 GLN B 429 149.621 233.779 230.926 1.00 0.00 -0.368 N +ATOM 9359 HE22 GLN B 429 150.401 233.872 231.274 1.00 0.00 0.159 HD +ATOM 9360 HE21 GLN B 429 148.970 233.482 231.403 1.00 0.00 0.159 HD +ATOM 9361 H GLN B 429 150.513 235.987 225.161 1.00 0.00 0.164 HD +ATOM 9362 C ILE B 430 154.855 233.636 228.575 1.00 0.00 0.243 C +ATOM 9363 O ILE B 430 154.050 233.440 229.485 1.00 0.00 -0.272 OA +ATOM 9364 CA ILE B 430 154.934 234.995 227.884 1.00 0.00 0.174 C +ATOM 9365 N ILE B 430 153.620 235.622 227.797 1.00 0.00 -0.343 N +ATOM 9366 CB ILE B 430 155.935 235.903 228.649 1.00 0.00 0.018 C +ATOM 9367 CG2 ILE B 430 155.596 235.968 230.135 1.00 0.00 0.010 C +ATOM 9368 CG1 ILE B 430 157.376 235.433 228.445 1.00 0.00 0.002 C +ATOM 9369 CD1 ILE B 430 158.096 236.154 227.341 1.00 0.00 0.004 C +ATOM 9370 H ILE B 430 153.508 236.265 228.357 1.00 0.00 0.164 HD +ATOM 9371 C ALA B 431 157.025 231.426 229.727 1.00 0.00 0.243 C +ATOM 9372 O ALA B 431 157.795 232.385 229.741 1.00 0.00 -0.272 OA +ATOM 9373 CA ALA B 431 155.831 231.405 228.783 1.00 0.00 0.168 C +ATOM 9374 N ALA B 431 155.693 232.702 228.131 1.00 0.00 -0.344 N +ATOM 9375 CB ALA B 431 155.985 230.303 227.754 1.00 0.00 0.041 C +ATOM 9376 H ALA B 431 156.200 232.799 227.443 1.00 0.00 0.164 HD +ATOM 9377 C GLY B 432 159.508 229.634 230.918 1.00 0.00 0.239 C +ATOM 9378 O GLY B 432 159.461 228.960 229.891 1.00 0.00 -0.273 OA +ATOM 9379 CA GLY B 432 158.254 230.277 231.482 1.00 0.00 0.216 C +ATOM 9380 N GLY B 432 157.177 230.364 230.512 1.00 0.00 -0.346 N +ATOM 9381 H GLY B 432 156.662 229.675 230.500 1.00 0.00 0.164 HD +ATOM 9382 C ARG B 433 161.953 227.787 231.633 1.00 0.00 0.242 C +ATOM 9383 O ARG B 433 161.654 227.458 232.779 1.00 0.00 -0.273 OA +ATOM 9384 CA ARG B 433 161.903 229.253 231.209 1.00 0.00 0.171 C +ATOM 9385 N ARG B 433 160.630 229.848 231.599 1.00 0.00 -0.344 N +ATOM 9386 CB ARG B 433 163.066 230.026 231.832 1.00 0.00 0.038 C +ATOM 9387 CG ARG B 433 164.421 229.691 231.245 1.00 0.00 0.040 C +ATOM 9388 CD ARG B 433 165.528 230.455 231.947 1.00 0.00 0.197 C +ATOM 9389 NE ARG B 433 166.602 230.818 231.028 1.00 0.00 -0.278 N +ATOM 9390 HE ARG B 433 166.552 230.531 230.219 1.00 0.00 0.260 HD +ATOM 9391 CZ ARG B 433 167.653 231.564 231.358 1.00 0.00 0.339 C +ATOM 9392 NH1 ARG B 433 167.782 232.029 232.594 1.00 0.00 -0.290 N +ATOM 9393 NH2 ARG B 433 168.576 231.844 230.449 1.00 0.00 -0.290 N +ATOM 9394 HH12 ARG B 433 167.184 231.850 233.185 1.00 0.00 0.256 HD +ATOM 9395 HH11 ARG B 433 168.463 232.510 232.803 1.00 0.00 0.256 HD +ATOM 9396 HH22 ARG B 433 168.496 231.544 229.648 1.00 0.00 0.256 HD +ATOM 9397 HH21 ARG B 433 169.257 232.325 230.662 1.00 0.00 0.256 HD +ATOM 9398 H ARG B 433 160.680 230.343 232.301 1.00 0.00 0.164 HD +ATOM 9399 C VAL B 434 163.516 225.037 231.806 1.00 0.00 0.243 C +ATOM 9400 O VAL B 434 163.351 224.397 232.843 1.00 0.00 -0.272 OA +ATOM 9401 CA VAL B 434 162.316 225.473 230.968 1.00 0.00 0.173 C +ATOM 9402 N VAL B 434 162.337 226.910 230.710 1.00 0.00 -0.343 N +ATOM 9403 CB VAL B 434 162.274 224.677 229.653 1.00 0.00 0.015 C +ATOM 9404 CG1 VAL B 434 162.445 223.174 229.907 1.00 0.00 0.010 C +ATOM 9405 CG2 VAL B 434 160.959 224.940 228.938 1.00 0.00 0.010 C +ATOM 9406 H VAL B 434 162.614 227.122 229.924 1.00 0.00 0.164 HD +ATOM 9407 C ALA B 435 166.153 226.159 233.167 1.00 0.00 0.243 C +ATOM 9408 O ALA B 435 165.498 227.198 233.143 1.00 0.00 -0.272 OA +ATOM 9409 CA ALA B 435 165.924 225.077 232.118 1.00 0.00 0.168 C +ATOM 9410 N ALA B 435 164.719 225.374 231.355 1.00 0.00 -0.344 N +ATOM 9411 CB ALA B 435 167.124 224.966 231.200 1.00 0.00 0.041 C +ATOM 9412 H ALA B 435 164.864 225.776 230.609 1.00 0.00 0.164 HD +ATOM 9413 C GLY B 436 166.932 226.585 236.469 1.00 0.00 0.239 C +ATOM 9414 O GLY B 436 167.308 227.243 237.439 1.00 0.00 -0.273 OA +ATOM 9415 CA GLY B 436 167.459 226.894 235.081 1.00 0.00 0.216 C +ATOM 9416 N GLY B 436 167.080 225.908 234.086 1.00 0.00 -0.346 N +ATOM 9417 H GLY B 436 167.507 225.165 234.151 1.00 0.00 0.164 HD +ATOM 9418 C GLY B 437 164.444 225.927 238.450 1.00 0.00 0.239 C +ATOM 9419 O GLY B 437 164.233 227.087 238.095 1.00 0.00 -0.273 OA +ATOM 9420 CA GLY B 437 165.572 225.114 237.848 1.00 0.00 0.216 C +ATOM 9421 N GLY B 437 166.051 225.593 236.564 1.00 0.00 -0.346 N +ATOM 9422 H GLY B 437 165.714 225.180 235.889 1.00 0.00 0.164 HD +ATOM 9423 C ARG B 438 161.726 226.813 239.374 1.00 0.00 0.242 C +ATOM 9424 O ARG B 438 161.601 228.011 239.622 1.00 0.00 -0.273 OA +ATOM 9425 CA ARG B 438 162.694 225.950 240.179 1.00 0.00 0.171 C +ATOM 9426 N ARG B 438 163.711 225.291 239.361 1.00 0.00 -0.344 N +ATOM 9427 CB ARG B 438 163.375 226.801 241.255 1.00 0.00 0.038 C +ATOM 9428 CG ARG B 438 164.073 225.972 242.309 1.00 0.00 0.040 C +ATOM 9429 CD ARG B 438 165.047 226.789 243.125 1.00 0.00 0.197 C +ATOM 9430 NE ARG B 438 165.599 226.007 244.226 1.00 0.00 -0.278 N +ATOM 9431 HE ARG B 438 165.221 225.258 244.416 1.00 0.00 0.260 HD +ATOM 9432 CZ ARG B 438 166.646 226.373 244.956 1.00 0.00 0.339 C +ATOM 9433 NH1 ARG B 438 167.271 227.516 244.702 1.00 0.00 -0.290 N +ATOM 9434 NH2 ARG B 438 167.073 225.592 245.938 1.00 0.00 -0.290 N +ATOM 9435 HH12 ARG B 438 166.996 228.024 244.065 1.00 0.00 0.256 HD +ATOM 9436 HH11 ARG B 438 167.949 227.749 245.176 1.00 0.00 0.256 HD +ATOM 9437 HH22 ARG B 438 166.670 224.851 246.103 1.00 0.00 0.256 HD +ATOM 9438 HH21 ARG B 438 167.752 225.828 246.410 1.00 0.00 0.256 HD +ATOM 9439 H ARG B 438 163.787 224.451 239.529 1.00 0.00 0.164 HD +ATOM 9440 C ASN B 439 158.893 226.060 237.179 1.00 0.00 0.242 C +ATOM 9441 O ASN B 439 158.187 226.404 236.233 1.00 0.00 -0.273 OA +ATOM 9442 CA ASN B 439 160.067 226.928 237.615 1.00 0.00 0.180 C +ATOM 9443 N ASN B 439 161.042 226.201 238.414 1.00 0.00 -0.342 N +ATOM 9444 CB ASN B 439 160.745 227.538 236.385 1.00 0.00 0.134 C +ATOM 9445 CG ASN B 439 160.034 228.783 235.884 1.00 0.00 0.220 C +ATOM 9446 OD1 ASN B 439 159.507 229.572 236.671 1.00 0.00 -0.275 OA +ATOM 9447 ND2 ASN B 439 160.010 228.961 234.570 1.00 0.00 -0.368 N +ATOM 9448 HD22 ASN B 439 159.619 229.652 234.237 1.00 0.00 0.159 HD +ATOM 9449 HD21 ASN B 439 160.384 228.387 234.051 1.00 0.00 0.159 HD +ATOM 9450 H ASN B 439 161.124 225.370 238.208 1.00 0.00 0.164 HD +ATOM 9451 C VAL B 440 156.325 224.623 238.461 1.00 0.00 0.243 C +ATOM 9452 O VAL B 440 156.433 224.720 239.677 1.00 0.00 -0.272 OA +ATOM 9453 CA VAL B 440 157.502 224.112 237.629 1.00 0.00 0.173 C +ATOM 9454 N VAL B 440 158.673 224.950 237.880 1.00 0.00 -0.343 N +ATOM 9455 CB VAL B 440 157.760 222.632 237.972 1.00 0.00 0.015 C +ATOM 9456 CG1 VAL B 440 156.469 221.813 237.848 1.00 0.00 0.010 C +ATOM 9457 CG2 VAL B 440 158.840 222.063 237.061 1.00 0.00 0.010 C +ATOM 9458 H VAL B 440 159.186 224.660 238.506 1.00 0.00 0.164 HD +ATOM 9459 C PRO B 441 153.558 224.378 239.603 1.00 0.00 0.243 C +ATOM 9460 O PRO B 441 153.543 223.193 239.282 1.00 0.00 -0.271 OA +ATOM 9461 CA PRO B 441 154.030 225.414 238.581 1.00 0.00 0.175 C +ATOM 9462 N PRO B 441 155.191 224.947 237.812 1.00 0.00 -0.329 N +ATOM 9463 CB PRO B 441 152.960 225.635 237.510 1.00 0.00 0.037 C +ATOM 9464 CG PRO B 441 153.696 225.730 236.227 1.00 0.00 0.024 C +ATOM 9465 CD PRO B 441 154.901 224.875 236.371 1.00 0.00 0.121 C +ATOM 9466 C PRO B 442 151.521 223.009 241.355 1.00 0.00 0.243 C +ATOM 9467 O PRO B 442 151.340 221.895 241.845 1.00 0.00 -0.271 OA +ATOM 9468 CA PRO B 442 152.694 223.864 241.828 1.00 0.00 0.175 C +ATOM 9469 N PRO B 442 153.174 224.814 240.815 1.00 0.00 -0.329 N +ATOM 9470 CB PRO B 442 152.265 224.777 242.981 1.00 0.00 0.037 C +ATOM 9471 CG PRO B 442 153.090 225.996 242.819 1.00 0.00 0.024 C +ATOM 9472 CD PRO B 442 153.243 226.187 241.343 1.00 0.00 0.121 C +ATOM 9473 C ALA B 443 149.930 221.497 239.247 1.00 0.00 0.243 C +ATOM 9474 O ALA B 443 149.219 220.506 239.407 1.00 0.00 -0.272 OA +ATOM 9475 CA ALA B 443 149.565 222.828 239.905 1.00 0.00 0.168 C +ATOM 9476 N ALA B 443 150.743 223.529 240.410 1.00 0.00 -0.344 N +ATOM 9477 CB ALA B 443 148.818 223.709 238.919 1.00 0.00 0.041 C +ATOM 9478 H ALA B 443 150.877 224.295 240.042 1.00 0.00 0.164 HD +ATOM 9479 C VAL B 444 152.744 219.728 238.509 1.00 0.00 0.243 C +ATOM 9480 O VAL B 444 153.632 219.170 237.864 1.00 0.00 -0.272 OA +ATOM 9481 CA VAL B 444 151.490 220.270 237.829 1.00 0.00 0.173 C +ATOM 9482 N VAL B 444 151.034 221.482 238.506 1.00 0.00 -0.343 N +ATOM 9483 CB VAL B 444 151.763 220.529 236.333 1.00 0.00 0.015 C +ATOM 9484 CG1 VAL B 444 150.485 220.992 235.646 1.00 0.00 0.010 C +ATOM 9485 CG2 VAL B 444 152.871 221.558 236.145 1.00 0.00 0.010 C +ATOM 9486 H VAL B 444 151.540 222.165 238.378 1.00 0.00 0.164 HD +ATOM 9487 C GLN B 445 154.008 217.880 240.593 1.00 0.00 0.242 C +ATOM 9488 O GLN B 445 155.089 217.330 240.383 1.00 0.00 -0.273 OA +ATOM 9489 CA GLN B 445 153.906 219.403 240.632 1.00 0.00 0.171 C +ATOM 9490 N GLN B 445 152.796 219.892 239.825 1.00 0.00 -0.343 N +ATOM 9491 CB GLN B 445 153.743 219.884 242.075 1.00 0.00 0.045 C +ATOM 9492 CG GLN B 445 154.710 219.264 243.068 1.00 0.00 0.102 C +ATOM 9493 CD GLN B 445 154.530 219.810 244.469 1.00 0.00 0.217 C +ATOM 9494 OE1 GLN B 445 154.035 220.921 244.656 1.00 0.00 -0.275 OA +ATOM 9495 NE2 GLN B 445 154.926 219.025 245.464 1.00 0.00 -0.368 N +ATOM 9496 HE22 GLN B 445 155.264 218.253 245.295 1.00 0.00 0.159 HD +ATOM 9497 HE21 GLN B 445 154.845 219.290 246.279 1.00 0.00 0.159 HD +ATOM 9498 H GLN B 445 152.187 220.291 240.283 1.00 0.00 0.164 HD +ATOM 9499 C LYS B 446 153.176 215.117 239.504 1.00 0.00 0.242 C +ATOM 9500 O LYS B 446 153.565 213.953 239.432 1.00 0.00 -0.273 OA +ATOM 9501 CA LYS B 446 152.856 215.746 240.858 1.00 0.00 0.171 C +ATOM 9502 N LYS B 446 152.881 217.207 240.800 1.00 0.00 -0.344 N +ATOM 9503 CB LYS B 446 151.492 215.257 241.358 1.00 0.00 0.035 C +ATOM 9504 CG LYS B 446 151.450 214.975 242.856 1.00 0.00 0.008 C +ATOM 9505 CD LYS B 446 151.643 213.492 243.146 1.00 0.00 0.061 C +ATOM 9506 CE LYS B 446 152.049 213.240 244.593 1.00 0.00 0.258 C +ATOM 9507 NZ LYS B 446 151.099 213.811 245.583 1.00 0.00 -0.357 N +ATOM 9508 HZ1 LYS B 446 151.380 213.637 246.409 1.00 0.00 0.345 HD +ATOM 9509 HZ2 LYS B 446 151.042 214.692 245.476 1.00 0.00 0.345 HD +ATOM 9510 HZ3 LYS B 446 150.292 213.453 245.470 1.00 0.00 0.345 HD +ATOM 9511 H LYS B 446 152.111 217.574 240.911 1.00 0.00 0.164 HD +ATOM 9512 C VAL B 447 154.896 215.298 237.002 1.00 0.00 0.243 C +ATOM 9513 O VAL B 447 155.411 214.336 236.430 1.00 0.00 -0.272 OA +ATOM 9514 CA VAL B 447 153.380 215.428 237.102 1.00 0.00 0.173 C +ATOM 9515 N VAL B 447 153.016 215.890 238.435 1.00 0.00 -0.343 N +ATOM 9516 CB VAL B 447 152.862 216.383 236.008 1.00 0.00 0.015 C +ATOM 9517 CG1 VAL B 447 153.367 215.966 234.634 1.00 0.00 0.010 C +ATOM 9518 CG2 VAL B 447 151.344 216.418 236.016 1.00 0.00 0.010 C +ATOM 9519 H VAL B 447 152.697 216.688 238.455 1.00 0.00 0.164 HD +ATOM 9520 C SER B 448 157.535 215.040 238.411 1.00 0.00 0.244 C +ATOM 9521 O SER B 448 158.523 214.394 238.068 1.00 0.00 -0.272 OA +ATOM 9522 CA SER B 448 157.063 216.231 237.593 1.00 0.00 0.197 C +ATOM 9523 N SER B 448 155.606 216.275 237.557 1.00 0.00 -0.342 N +ATOM 9524 CB SER B 448 157.632 217.524 238.175 1.00 0.00 0.191 C +ATOM 9525 OG SER B 448 157.432 218.609 237.290 1.00 0.00 -0.392 OA +ATOM 9526 HG SER B 448 157.749 219.312 237.622 1.00 0.00 0.210 HD +ATOM 9527 H SER B 448 155.267 216.977 237.921 1.00 0.00 0.164 HD +ATOM 9528 C GLN B 449 156.964 212.312 239.590 1.00 0.00 0.242 C +ATOM 9529 O GLN B 449 157.771 211.391 239.698 1.00 0.00 -0.273 OA +ATOM 9530 CA GLN B 449 157.168 213.621 240.344 1.00 0.00 0.171 C +ATOM 9531 N GLN B 449 156.825 214.753 239.496 1.00 0.00 -0.343 N +ATOM 9532 CB GLN B 449 156.332 213.631 241.623 1.00 0.00 0.045 C +ATOM 9533 CG GLN B 449 156.809 212.629 242.655 1.00 0.00 0.102 C +ATOM 9534 CD GLN B 449 156.109 212.774 243.986 1.00 0.00 0.217 C +ATOM 9535 OE1 GLN B 449 155.239 213.626 244.154 1.00 0.00 -0.275 OA +ATOM 9536 NE2 GLN B 449 156.494 211.944 244.947 1.00 0.00 -0.368 N +ATOM 9537 HE22 GLN B 449 157.110 211.364 244.794 1.00 0.00 0.159 HD +ATOM 9538 HE21 GLN B 449 156.126 211.985 245.724 1.00 0.00 0.159 HD +ATOM 9539 H GLN B 449 156.139 215.199 239.762 1.00 0.00 0.164 HD +ATOM 9540 C ALA B 450 156.608 210.848 236.939 1.00 0.00 0.243 C +ATOM 9541 O ALA B 450 156.920 209.719 236.571 1.00 0.00 -0.272 OA +ATOM 9542 CA ALA B 450 155.574 211.051 238.042 1.00 0.00 0.168 C +ATOM 9543 N ALA B 450 155.881 212.241 238.824 1.00 0.00 -0.344 N +ATOM 9544 CB ALA B 450 154.182 211.152 237.450 1.00 0.00 0.041 C +ATOM 9545 H ALA B 450 155.304 212.873 238.739 1.00 0.00 0.164 HD +ATOM 9546 C SER B 451 159.447 211.314 235.893 1.00 0.00 0.244 C +ATOM 9547 O SER B 451 160.159 210.599 235.188 1.00 0.00 -0.272 OA +ATOM 9548 CA SER B 451 158.134 211.878 235.354 1.00 0.00 0.197 C +ATOM 9549 N SER B 451 157.138 211.948 236.414 1.00 0.00 -0.342 N +ATOM 9550 CB SER B 451 158.357 213.258 234.736 1.00 0.00 0.191 C +ATOM 9551 OG SER B 451 159.095 213.164 233.531 1.00 0.00 -0.392 OA +ATOM 9552 HG SER B 451 159.209 213.929 233.203 1.00 0.00 0.210 HD +ATOM 9553 H SER B 451 156.936 212.748 236.656 1.00 0.00 0.164 HD +ATOM 9554 C ILE B 452 160.716 209.613 238.132 1.00 0.00 0.243 C +ATOM 9555 O ILE B 452 161.544 208.764 237.806 1.00 0.00 -0.272 OA +ATOM 9556 CA ILE B 452 160.939 211.085 237.804 1.00 0.00 0.174 C +ATOM 9557 N ILE B 452 159.761 211.635 237.145 1.00 0.00 -0.343 N +ATOM 9558 CB ILE B 452 161.284 211.850 239.104 1.00 0.00 0.018 C +ATOM 9559 CG2 ILE B 452 162.412 211.146 239.870 1.00 0.00 0.010 C +ATOM 9560 CG1 ILE B 452 161.693 213.291 238.784 1.00 0.00 0.002 C +ATOM 9561 CD1 ILE B 452 161.900 214.167 240.010 1.00 0.00 0.004 C +ATOM 9562 H ILE B 452 159.304 212.173 237.636 1.00 0.00 0.164 HD +ATOM 9563 C ASP B 453 159.282 206.992 238.040 1.00 0.00 0.242 C +ATOM 9564 O ASP B 453 159.807 205.884 238.134 1.00 0.00 -0.273 OA +ATOM 9565 CA ASP B 453 159.286 207.961 239.215 1.00 0.00 0.176 C +ATOM 9566 N ASP B 453 159.599 209.321 238.791 1.00 0.00 -0.343 N +ATOM 9567 CB ASP B 453 157.925 207.918 239.916 1.00 0.00 0.087 C +ATOM 9568 CG ASP B 453 157.956 208.547 241.297 1.00 0.00 0.044 C +ATOM 9569 OD1 ASP B 453 159.009 208.481 241.962 1.00 0.00 -0.548 OA +ATOM 9570 OD2 ASP B 453 156.921 209.102 241.719 1.00 0.00 -0.549 OA +ATOM 9571 H ASP B 453 159.000 209.900 239.007 1.00 0.00 0.164 HD +ATOM 9572 C GLN B 454 159.869 206.324 235.066 1.00 0.00 0.242 C +ATOM 9573 O GLN B 454 160.063 205.286 234.436 1.00 0.00 -0.273 OA +ATOM 9574 CA GLN B 454 158.535 206.565 235.769 1.00 0.00 0.171 C +ATOM 9575 N GLN B 454 158.693 207.423 236.932 1.00 0.00 -0.343 N +ATOM 9576 CB GLN B 454 157.514 207.175 234.809 1.00 0.00 0.045 C +ATOM 9577 CG GLN B 454 156.082 207.086 235.328 1.00 0.00 0.102 C +ATOM 9578 CD GLN B 454 155.109 207.937 234.538 1.00 0.00 0.217 C +ATOM 9579 OE1 GLN B 454 155.422 208.415 233.448 1.00 0.00 -0.275 OA +ATOM 9580 NE2 GLN B 454 153.918 208.135 235.089 1.00 0.00 -0.368 N +ATOM 9581 HE22 GLN B 454 153.736 207.787 235.854 1.00 0.00 0.159 HD +ATOM 9582 HE21 GLN B 454 153.329 208.611 234.682 1.00 0.00 0.159 HD +ATOM 9583 H GLN B 454 158.373 208.215 236.829 1.00 0.00 0.164 HD +ATOM 9584 C SER B 455 162.834 205.944 235.399 1.00 0.00 0.244 C +ATOM 9585 O SER B 455 163.555 205.157 234.791 1.00 0.00 -0.272 OA +ATOM 9586 CA SER B 455 162.145 207.094 234.676 1.00 0.00 0.197 C +ATOM 9587 N SER B 455 160.788 207.279 235.181 1.00 0.00 -0.342 N +ATOM 9588 CB SER B 455 162.968 208.372 234.840 1.00 0.00 0.191 C +ATOM 9589 OG SER B 455 162.740 209.262 233.765 1.00 0.00 -0.392 OA +ATOM 9590 HG SER B 455 162.956 208.897 233.040 1.00 0.00 0.210 HD +ATOM 9591 H SER B 455 160.651 208.045 235.548 1.00 0.00 0.164 HD +ATOM 9592 C ARG B 456 162.614 203.482 237.300 1.00 0.00 0.242 C +ATOM 9593 O ARG B 456 163.304 202.465 237.277 1.00 0.00 -0.273 OA +ATOM 9594 CA ARG B 456 163.240 204.844 237.533 1.00 0.00 0.171 C +ATOM 9595 N ARG B 456 162.608 205.862 236.705 1.00 0.00 -0.344 N +ATOM 9596 CB ARG B 456 163.131 205.221 239.004 1.00 0.00 0.038 C +ATOM 9597 CG ARG B 456 163.769 206.549 239.333 1.00 0.00 0.040 C +ATOM 9598 CD ARG B 456 163.396 206.994 240.723 1.00 0.00 0.197 C +ATOM 9599 NE ARG B 456 164.139 208.180 241.127 1.00 0.00 -0.278 N +ATOM 9600 HE ARG B 456 164.630 208.567 240.537 1.00 0.00 0.260 HD +ATOM 9601 CZ ARG B 456 164.053 208.739 242.328 1.00 0.00 0.339 C +ATOM 9602 NH1 ARG B 456 163.254 208.218 243.248 1.00 0.00 -0.290 N +ATOM 9603 NH2 ARG B 456 164.768 209.818 242.608 1.00 0.00 -0.290 N +ATOM 9604 HH12 ARG B 456 162.789 207.517 243.067 1.00 0.00 0.256 HD +ATOM 9605 HH11 ARG B 456 163.199 208.581 244.026 1.00 0.00 0.256 HD +ATOM 9606 HH22 ARG B 456 165.287 210.157 242.012 1.00 0.00 0.256 HD +ATOM 9607 HH21 ARG B 456 164.713 210.180 243.386 1.00 0.00 0.256 HD +ATOM 9608 H ARG B 456 162.086 206.389 237.139 1.00 0.00 0.164 HD +ATOM 9609 C GLN B 457 161.065 201.690 235.487 1.00 0.00 0.242 C +ATOM 9610 O GLN B 457 161.050 200.478 235.276 1.00 0.00 -0.273 OA +ATOM 9611 CA GLN B 457 160.572 202.256 236.816 1.00 0.00 0.171 C +ATOM 9612 N GLN B 457 161.297 203.473 237.139 1.00 0.00 -0.343 N +ATOM 9613 CB GLN B 457 159.069 202.532 236.763 1.00 0.00 0.045 C +ATOM 9614 CG GLN B 457 158.225 201.339 236.344 1.00 0.00 0.102 C +ATOM 9615 CD GLN B 457 156.738 201.589 236.514 1.00 0.00 0.217 C +ATOM 9616 OE1 GLN B 457 156.320 202.678 236.914 1.00 0.00 -0.275 OA +ATOM 9617 NE2 GLN B 457 155.931 200.580 236.209 1.00 0.00 -0.368 N +ATOM 9618 HE22 GLN B 457 156.259 199.835 235.932 1.00 0.00 0.159 HD +ATOM 9619 HE21 GLN B 457 155.079 200.671 236.288 1.00 0.00 0.159 HD +ATOM 9620 H GLN B 457 160.796 204.168 237.213 1.00 0.00 0.164 HD +ATOM 9621 C MET B 458 163.539 202.049 233.273 1.00 0.00 0.242 C +ATOM 9622 O MET B 458 164.133 201.797 232.228 1.00 0.00 -0.272 OA +ATOM 9623 CA MET B 458 162.015 202.188 233.288 1.00 0.00 0.172 C +ATOM 9624 N MET B 458 161.512 202.579 234.602 1.00 0.00 -0.344 N +ATOM 9625 CB MET B 458 161.571 203.200 232.232 1.00 0.00 0.046 C +ATOM 9626 CG MET B 458 160.082 203.154 231.924 1.00 0.00 0.072 C +ATOM 9627 SD MET B 458 159.611 204.220 230.548 1.00 0.00 -0.165 SA +ATOM 9628 CE MET B 458 160.046 205.838 231.177 1.00 0.00 0.085 C +ATOM 9629 H MET B 458 161.533 203.427 234.741 1.00 0.00 0.164 HD +ATOM 9630 C LYS B 459 166.479 202.821 233.701 1.00 0.00 0.242 C +ATOM 9631 O LYS B 459 167.360 202.307 233.014 1.00 0.00 -0.273 OA +ATOM 9632 CA LYS B 459 165.592 201.954 234.595 1.00 0.00 0.171 C +ATOM 9633 N LYS B 459 164.164 202.219 234.433 1.00 0.00 -0.344 N +ATOM 9634 CB LYS B 459 165.885 200.477 234.313 1.00 0.00 0.035 C +ATOM 9635 CG LYS B 459 165.111 199.496 235.194 1.00 0.00 0.008 C +ATOM 9636 CD LYS B 459 165.677 199.424 236.602 1.00 0.00 0.061 C +ATOM 9637 CE LYS B 459 167.002 198.671 236.640 1.00 0.00 0.258 C +ATOM 9638 NZ LYS B 459 167.721 198.856 237.927 1.00 0.00 -0.357 N +ATOM 9639 HZ1 LYS B 459 168.488 198.404 237.915 1.00 0.00 0.345 HD +ATOM 9640 HZ2 LYS B 459 167.896 199.719 238.056 1.00 0.00 0.345 HD +ATOM 9641 HZ3 LYS B 459 167.221 198.559 238.600 1.00 0.00 0.345 HD +ATOM 9642 H LYS B 459 163.779 202.491 235.152 1.00 0.00 0.164 HD +ATOM 9643 C TYR B 460 168.515 205.080 233.512 1.00 0.00 0.243 C +ATOM 9644 O TYR B 460 168.719 205.019 234.723 1.00 0.00 -0.272 OA +ATOM 9645 CA TYR B 460 167.098 205.051 232.959 1.00 0.00 0.175 C +ATOM 9646 N TYR B 460 166.255 204.131 233.716 1.00 0.00 -0.343 N +ATOM 9647 CB TYR B 460 166.530 206.474 232.984 1.00 0.00 0.070 C +ATOM 9648 CG TYR B 460 165.419 206.748 231.998 1.00 0.00 -0.045 A +ATOM 9649 CD1 TYR B 460 164.692 205.715 231.429 1.00 0.00 0.007 A +ATOM 9650 CD2 TYR B 460 165.106 208.049 231.629 1.00 0.00 0.007 A +ATOM 9651 CE1 TYR B 460 163.681 205.970 230.530 1.00 0.00 0.046 A +ATOM 9652 CE2 TYR B 460 164.099 208.313 230.728 1.00 0.00 0.046 A +ATOM 9653 CZ TYR B 460 163.390 207.270 230.183 1.00 0.00 0.115 A +ATOM 9654 OH TYR B 460 162.384 207.527 229.286 1.00 0.00 -0.507 OA +ATOM 9655 HH TYR B 460 162.312 208.355 229.164 1.00 0.00 0.294 HD +ATOM 9656 H TYR B 460 165.623 204.513 234.157 1.00 0.00 0.164 HD +ATOM 9657 C GLN B 461 170.993 206.885 233.490 1.00 0.00 0.242 C +ATOM 9658 O GLN B 461 170.038 207.656 233.406 1.00 0.00 -0.273 OA +ATOM 9659 CA GLN B 461 170.865 205.436 233.029 1.00 0.00 0.171 C +ATOM 9660 N GLN B 461 169.492 205.185 232.618 1.00 0.00 -0.343 N +ATOM 9661 CB GLN B 461 171.841 205.135 231.890 1.00 0.00 0.045 C +ATOM 9662 CG GLN B 461 172.081 203.648 231.678 1.00 0.00 0.102 C +ATOM 9663 CD GLN B 461 173.051 203.360 230.553 1.00 0.00 0.217 C +ATOM 9664 OE1 GLN B 461 174.171 203.871 230.534 1.00 0.00 -0.275 OA +ATOM 9665 NE2 GLN B 461 172.624 202.535 229.606 1.00 0.00 -0.368 N +ATOM 9666 HE22 GLN B 461 171.835 202.197 229.654 1.00 0.00 0.159 HD +ATOM 9667 HE21 GLN B 461 173.137 202.339 228.944 1.00 0.00 0.159 HD +ATOM 9668 H GLN B 461 169.385 205.115 231.768 1.00 0.00 0.164 HD +ATOM 9669 C SER B 462 172.419 209.670 233.504 1.00 0.00 0.244 C +ATOM 9670 O SER B 462 172.590 209.402 232.314 1.00 0.00 -0.272 OA +ATOM 9671 CA SER B 462 172.356 208.576 234.563 1.00 0.00 0.197 C +ATOM 9672 N SER B 462 172.168 207.254 233.983 1.00 0.00 -0.342 N +ATOM 9673 CB SER B 462 173.627 208.611 235.411 1.00 0.00 0.191 C +ATOM 9674 OG SER B 462 174.783 208.600 234.595 1.00 0.00 -0.392 OA +ATOM 9675 HG SER B 462 175.473 208.619 235.074 1.00 0.00 0.210 HD +ATOM 9676 H SER B 462 172.871 206.759 233.994 1.00 0.00 0.164 HD +ATOM 9677 C PHE B 463 173.698 212.134 232.378 1.00 0.00 0.243 C +ATOM 9678 O PHE B 463 173.745 212.441 231.188 1.00 0.00 -0.272 OA +ATOM 9679 CA PHE B 463 172.367 212.084 233.116 1.00 0.00 0.175 C +ATOM 9680 N PHE B 463 172.276 210.906 233.965 1.00 0.00 -0.343 N +ATOM 9681 CB PHE B 463 172.182 213.340 233.971 1.00 0.00 0.070 C +ATOM 9682 CG PHE B 463 172.248 214.626 233.203 1.00 0.00 -0.045 A +ATOM 9683 CD1 PHE B 463 171.227 214.989 232.345 1.00 0.00 0.004 A +ATOM 9684 CD2 PHE B 463 173.316 215.487 233.366 1.00 0.00 0.004 A +ATOM 9685 CE1 PHE B 463 171.277 216.181 231.658 1.00 0.00 0.000 A +ATOM 9686 CE2 PHE B 463 173.371 216.678 232.678 1.00 0.00 0.000 A +ATOM 9687 CZ PHE B 463 172.351 217.025 231.822 1.00 0.00 0.000 A +ATOM 9688 H PHE B 463 172.121 211.092 234.790 1.00 0.00 0.164 HD +ATOM 9689 C ASN B 464 176.299 210.784 231.430 1.00 0.00 0.242 C +ATOM 9690 O ASN B 464 177.066 210.970 230.489 1.00 0.00 -0.273 OA +ATOM 9691 CA ASN B 464 176.111 211.863 232.495 1.00 0.00 0.180 C +ATOM 9692 N ASN B 464 174.778 211.827 233.087 1.00 0.00 -0.342 N +ATOM 9693 CB ASN B 464 177.183 211.717 233.584 1.00 0.00 0.134 C +ATOM 9694 CG ASN B 464 177.842 213.044 233.952 1.00 0.00 0.220 C +ATOM 9695 OD1 ASN B 464 177.462 214.104 233.454 1.00 0.00 -0.275 OA +ATOM 9696 ND2 ASN B 464 178.834 212.983 234.835 1.00 0.00 -0.368 N +ATOM 9697 HD22 ASN B 464 179.239 213.702 235.077 1.00 0.00 0.159 HD +ATOM 9698 HD21 ASN B 464 179.071 212.225 235.165 1.00 0.00 0.159 HD +ATOM 9699 H ASN B 464 174.767 211.595 233.915 1.00 0.00 0.164 HD +ATOM 9700 C GLU B 465 175.004 209.060 229.275 1.00 0.00 0.242 C +ATOM 9701 O GLU B 465 175.469 208.748 228.178 1.00 0.00 -0.273 OA +ATOM 9702 CA GLU B 465 175.680 208.609 230.565 1.00 0.00 0.171 C +ATOM 9703 N GLU B 465 175.603 209.661 231.571 1.00 0.00 -0.344 N +ATOM 9704 CB GLU B 465 175.040 207.313 231.072 1.00 0.00 0.041 C +ATOM 9705 CG GLU B 465 175.836 206.594 232.155 1.00 0.00 0.055 C +ATOM 9706 CD GLU B 465 177.277 206.355 231.759 1.00 0.00 0.041 C +ATOM 9707 OE1 GLU B 465 177.514 205.636 230.768 1.00 0.00 -0.548 OA +ATOM 9708 OE2 GLU B 465 178.174 206.898 232.437 1.00 0.00 -0.549 OA +ATOM 9709 H GLU B 465 175.083 209.484 232.233 1.00 0.00 0.164 HD +ATOM 9710 C TYR B 466 173.966 211.444 227.578 1.00 0.00 0.243 C +ATOM 9711 O TYR B 466 173.889 211.616 226.364 1.00 0.00 -0.272 OA +ATOM 9712 CA TYR B 466 173.196 210.310 228.247 1.00 0.00 0.175 C +ATOM 9713 N TYR B 466 173.909 209.801 229.409 1.00 0.00 -0.343 N +ATOM 9714 CB TYR B 466 171.789 210.767 228.639 1.00 0.00 0.070 C +ATOM 9715 CG TYR B 466 170.812 209.619 228.687 1.00 0.00 -0.045 A +ATOM 9716 CD1 TYR B 466 170.262 209.107 227.519 1.00 0.00 0.007 A +ATOM 9717 CD2 TYR B 466 170.461 209.026 229.891 1.00 0.00 0.007 A +ATOM 9718 CE1 TYR B 466 169.384 208.048 227.552 1.00 0.00 0.046 A +ATOM 9719 CE2 TYR B 466 169.580 207.967 229.932 1.00 0.00 0.046 A +ATOM 9720 CZ TYR B 466 169.045 207.483 228.761 1.00 0.00 0.115 A +ATOM 9721 OH TYR B 466 168.169 206.432 228.798 1.00 0.00 -0.507 OA +ATOM 9722 HH TYR B 466 167.919 206.238 228.020 1.00 0.00 0.294 HD +ATOM 9723 H TYR B 466 173.560 210.023 230.163 1.00 0.00 0.164 HD +ATOM 9724 C ARG B 467 176.616 212.573 226.871 1.00 0.00 0.242 C +ATOM 9725 O ARG B 467 176.808 213.036 225.746 1.00 0.00 -0.273 OA +ATOM 9726 CA ARG B 467 175.613 213.216 227.819 1.00 0.00 0.171 C +ATOM 9727 N ARG B 467 174.717 212.205 228.367 1.00 0.00 -0.344 N +ATOM 9728 CB ARG B 467 176.361 213.949 228.930 1.00 0.00 0.038 C +ATOM 9729 CG ARG B 467 175.473 214.697 229.913 1.00 0.00 0.040 C +ATOM 9730 CD ARG B 467 175.403 216.175 229.612 1.00 0.00 0.197 C +ATOM 9731 NE ARG B 467 176.724 216.782 229.480 1.00 0.00 -0.278 N +ATOM 9732 HE ARG B 467 177.400 216.343 229.779 1.00 0.00 0.260 HD +ATOM 9733 CZ ARG B 467 176.940 217.995 228.982 1.00 0.00 0.339 C +ATOM 9734 NH1 ARG B 467 178.175 218.465 228.893 1.00 0.00 -0.290 N +ATOM 9735 NH2 ARG B 467 175.922 218.741 228.571 1.00 0.00 -0.290 N +ATOM 9736 HH12 ARG B 467 178.838 217.986 229.159 1.00 0.00 0.256 HD +ATOM 9737 HH11 ARG B 467 178.314 219.251 228.573 1.00 0.00 0.256 HD +ATOM 9738 HH22 ARG B 467 175.118 218.439 228.625 1.00 0.00 0.256 HD +ATOM 9739 HH21 ARG B 467 176.066 219.526 228.250 1.00 0.00 0.256 HD +ATOM 9740 H ARG B 467 174.727 212.155 229.226 1.00 0.00 0.164 HD +ATOM 9741 C LYS B 468 177.649 210.149 225.313 1.00 0.00 0.242 C +ATOM 9742 O LYS B 468 178.273 210.092 224.256 1.00 0.00 -0.273 OA +ATOM 9743 CA LYS B 468 178.266 210.809 226.547 1.00 0.00 0.171 C +ATOM 9744 N LYS B 468 177.257 211.506 227.337 1.00 0.00 -0.344 N +ATOM 9745 CB LYS B 468 178.985 209.766 227.407 1.00 0.00 0.035 C +ATOM 9746 CG LYS B 468 179.809 210.374 228.541 1.00 0.00 0.008 C +ATOM 9747 CD LYS B 468 180.773 209.373 229.160 1.00 0.00 0.061 C +ATOM 9748 CE LYS B 468 180.067 208.375 230.062 1.00 0.00 0.258 C +ATOM 9749 NZ LYS B 468 181.037 207.441 230.705 1.00 0.00 -0.357 N +ATOM 9750 HZ1 LYS B 468 180.604 206.866 231.228 1.00 0.00 0.345 HD +ATOM 9751 HZ2 LYS B 468 181.481 206.987 230.082 1.00 0.00 0.345 HD +ATOM 9752 HZ3 LYS B 468 181.619 207.899 231.199 1.00 0.00 0.345 HD +ATOM 9753 H LYS B 468 177.125 211.163 228.114 1.00 0.00 0.164 HD +ATOM 9754 C ARG B 469 175.496 209.967 223.196 1.00 0.00 0.242 C +ATOM 9755 O ARG B 469 175.439 209.552 222.042 1.00 0.00 -0.273 OA +ATOM 9756 CA ARG B 469 175.717 209.007 224.357 1.00 0.00 0.171 C +ATOM 9757 N ARG B 469 176.420 209.664 225.455 1.00 0.00 -0.344 N +ATOM 9758 CB ARG B 469 174.380 208.444 224.847 1.00 0.00 0.038 C +ATOM 9759 CG ARG B 469 173.423 207.991 223.752 1.00 0.00 0.040 C +ATOM 9760 CD ARG B 469 174.011 206.884 222.883 1.00 0.00 0.197 C +ATOM 9761 NE ARG B 469 173.039 206.400 221.907 1.00 0.00 -0.278 N +ATOM 9762 HE ARG B 469 172.630 205.664 222.079 1.00 0.00 0.260 HD +ATOM 9763 CZ ARG B 469 172.744 207.021 220.768 1.00 0.00 0.339 C +ATOM 9764 NH1 ARG B 469 173.344 208.158 220.444 1.00 0.00 -0.290 N +ATOM 9765 NH2 ARG B 469 171.842 206.501 219.947 1.00 0.00 -0.290 N +ATOM 9766 HH12 ARG B 469 173.929 208.501 220.973 1.00 0.00 0.256 HD +ATOM 9767 HH11 ARG B 469 173.148 208.553 219.706 1.00 0.00 0.256 HD +ATOM 9768 HH22 ARG B 469 171.449 205.764 220.150 1.00 0.00 0.256 HD +ATOM 9769 HH21 ARG B 469 171.651 206.901 219.209 1.00 0.00 0.256 HD +ATOM 9770 H ARG B 469 175.966 209.704 226.185 1.00 0.00 0.164 HD +ATOM 9771 C PHE B 470 176.415 213.170 222.349 1.00 0.00 0.243 C +ATOM 9772 O PHE B 470 176.308 214.349 222.014 1.00 0.00 -0.272 OA +ATOM 9773 CA PHE B 470 175.186 212.270 222.478 1.00 0.00 0.175 C +ATOM 9774 N PHE B 470 175.378 211.254 223.505 1.00 0.00 -0.343 N +ATOM 9775 CB PHE B 470 173.921 213.071 222.779 1.00 0.00 0.070 C +ATOM 9776 CG PHE B 470 172.664 212.282 222.557 1.00 0.00 -0.045 A +ATOM 9777 CD1 PHE B 470 172.141 211.487 223.561 1.00 0.00 0.004 A +ATOM 9778 CD2 PHE B 470 172.028 212.306 221.327 1.00 0.00 0.004 A +ATOM 9779 CE1 PHE B 470 170.998 210.750 223.350 1.00 0.00 0.000 A +ATOM 9780 CE2 PHE B 470 170.884 211.572 221.113 1.00 0.00 0.000 A +ATOM 9781 CZ PHE B 470 170.368 210.791 222.125 1.00 0.00 0.000 A +ATOM 9782 H PHE B 470 175.407 211.565 224.306 1.00 0.00 0.164 HD +ATOM 9783 C MET B 471 179.131 214.487 223.073 1.00 0.00 0.242 C +ATOM 9784 O MET B 471 179.779 215.398 222.565 1.00 0.00 -0.272 OA +ATOM 9785 CA MET B 471 178.876 213.190 222.311 1.00 0.00 0.172 C +ATOM 9786 N MET B 471 177.580 212.582 222.618 1.00 0.00 -0.344 N +ATOM 9787 CB MET B 471 178.993 213.441 220.804 1.00 0.00 0.046 C +ATOM 9788 CG MET B 471 179.162 212.169 219.990 1.00 0.00 0.072 C +ATOM 9789 SD MET B 471 179.930 212.449 218.381 1.00 0.00 -0.165 SA +ATOM 9790 CE MET B 471 181.570 212.990 218.864 1.00 0.00 0.085 C +ATOM 9791 H MET B 471 177.648 211.809 222.988 1.00 0.00 0.164 HD +ATOM 9792 C LEU B 472 179.828 215.252 226.288 1.00 0.00 0.243 C +ATOM 9793 O LEU B 472 179.810 214.097 226.705 1.00 0.00 -0.272 OA +ATOM 9794 CA LEU B 472 178.886 215.685 225.178 1.00 0.00 0.172 C +ATOM 9795 N LEU B 472 178.626 214.555 224.297 1.00 0.00 -0.345 N +ATOM 9796 CB LEU B 472 177.586 216.226 225.771 1.00 0.00 0.038 C +ATOM 9797 CG LEU B 472 176.459 216.467 224.769 1.00 0.00 -0.015 C +ATOM 9798 CD1 LEU B 472 175.180 216.812 225.500 1.00 0.00 0.007 C +ATOM 9799 CD2 LEU B 472 176.838 217.564 223.792 1.00 0.00 0.007 C +ATOM 9800 H LEU B 472 178.123 213.951 224.646 1.00 0.00 0.165 HD +ATOM 9801 C LYS B 473 180.698 215.720 229.150 1.00 0.00 0.242 C +ATOM 9802 O LYS B 473 179.814 216.530 229.418 1.00 0.00 -0.273 OA +ATOM 9803 CA LYS B 473 181.534 215.890 227.881 1.00 0.00 0.171 C +ATOM 9804 N LYS B 473 180.650 216.178 226.764 1.00 0.00 -0.344 N +ATOM 9805 CB LYS B 473 182.560 217.009 228.063 1.00 0.00 0.035 C +ATOM 9806 CG LYS B 473 183.808 216.583 228.821 1.00 0.00 0.008 C +ATOM 9807 CD LYS B 473 184.795 217.733 228.986 1.00 0.00 0.061 C +ATOM 9808 CE LYS B 473 184.268 218.815 229.922 1.00 0.00 0.258 C +ATOM 9809 NZ LYS B 473 183.986 218.297 231.292 1.00 0.00 -0.357 N +ATOM 9810 HZ1 LYS B 473 183.681 218.954 231.809 1.00 0.00 0.345 HD +ATOM 9811 HZ2 LYS B 473 183.375 217.652 231.253 1.00 0.00 0.345 HD +ATOM 9812 HZ3 LYS B 473 184.731 217.968 231.651 1.00 0.00 0.345 HD +ATOM 9813 H LYS B 473 180.715 216.979 226.458 1.00 0.00 0.164 HD +ATOM 9814 C PRO B 474 180.578 215.628 232.182 1.00 0.00 0.243 C +ATOM 9815 O PRO B 474 181.725 216.070 232.215 1.00 0.00 -0.271 OA +ATOM 9816 CA PRO B 474 180.217 214.533 231.188 1.00 0.00 0.175 C +ATOM 9817 N PRO B 474 180.965 214.664 229.934 1.00 0.00 -0.329 N +ATOM 9818 CB PRO B 474 180.635 213.155 231.707 1.00 0.00 0.037 C +ATOM 9819 CG PRO B 474 181.943 212.887 231.067 1.00 0.00 0.024 C +ATOM 9820 CD PRO B 474 181.894 213.542 229.727 1.00 0.00 0.121 C +ATOM 9821 C TYR B 475 180.699 216.490 235.117 1.00 0.00 0.243 C +ATOM 9822 O TYR B 475 180.473 215.362 235.550 1.00 0.00 -0.272 OA +ATOM 9823 CA TYR B 475 179.856 217.075 233.991 1.00 0.00 0.175 C +ATOM 9824 N TYR B 475 179.607 216.063 232.975 1.00 0.00 -0.343 N +ATOM 9825 CB TYR B 475 178.537 217.628 234.537 1.00 0.00 0.070 C +ATOM 9826 CG TYR B 475 177.868 218.630 233.622 1.00 0.00 -0.045 A +ATOM 9827 CD1 TYR B 475 178.469 219.847 233.338 1.00 0.00 0.007 A +ATOM 9828 CD2 TYR B 475 176.632 218.365 233.050 1.00 0.00 0.007 A +ATOM 9829 CE1 TYR B 475 177.865 220.768 232.507 1.00 0.00 0.046 A +ATOM 9830 CE2 TYR B 475 176.019 219.284 232.217 1.00 0.00 0.046 A +ATOM 9831 CZ TYR B 475 176.641 220.483 231.950 1.00 0.00 0.115 A +ATOM 9832 OH TYR B 475 176.041 221.403 231.124 1.00 0.00 -0.507 OA +ATOM 9833 HH TYR B 475 175.303 221.107 230.852 1.00 0.00 0.294 HD +ATOM 9834 H TYR B 475 178.793 215.786 232.945 1.00 0.00 0.164 HD +ATOM 9835 C GLU B 476 182.163 217.172 238.016 1.00 0.00 0.242 C +ATOM 9836 O GLU B 476 182.569 216.534 238.985 1.00 0.00 -0.273 OA +ATOM 9837 CA GLU B 476 182.611 216.803 236.604 1.00 0.00 0.171 C +ATOM 9838 N GLU B 476 181.670 217.267 235.585 1.00 0.00 -0.344 N +ATOM 9839 CB GLU B 476 184.002 217.378 236.337 1.00 0.00 0.041 C +ATOM 9840 CG GLU B 476 184.636 216.882 235.047 1.00 0.00 0.055 C +ATOM 9841 CD GLU B 476 185.975 217.530 234.769 1.00 0.00 0.041 C +ATOM 9842 OE1 GLU B 476 186.791 217.638 235.709 1.00 0.00 -0.548 OA +ATOM 9843 OE2 GLU B 476 186.210 217.937 233.612 1.00 0.00 -0.549 OA +ATOM 9844 H GLU B 476 181.809 218.075 235.325 1.00 0.00 0.164 HD +ATOM 9845 C SER B 477 179.367 219.083 239.303 1.00 0.00 0.244 C +ATOM 9846 O SER B 477 178.875 219.322 238.202 1.00 0.00 -0.272 OA +ATOM 9847 CA SER B 477 180.817 218.635 239.425 1.00 0.00 0.197 C +ATOM 9848 N SER B 477 181.334 218.205 238.130 1.00 0.00 -0.342 N +ATOM 9849 CB SER B 477 181.667 219.772 239.993 1.00 0.00 0.191 C +ATOM 9850 OG SER B 477 181.502 220.958 239.235 1.00 0.00 -0.392 OA +ATOM 9851 HG SER B 477 181.975 221.573 239.558 1.00 0.00 0.210 HD +ATOM 9852 H SER B 477 181.054 218.676 237.467 1.00 0.00 0.164 HD +ATOM 9853 C PHE B 478 177.280 221.162 240.116 1.00 0.00 0.243 C +ATOM 9854 O PHE B 478 176.353 221.638 239.462 1.00 0.00 -0.272 OA +ATOM 9855 CA PHE B 478 177.314 219.682 240.471 1.00 0.00 0.175 C +ATOM 9856 N PHE B 478 178.685 219.186 240.440 1.00 0.00 -0.343 N +ATOM 9857 CB PHE B 478 176.688 219.471 241.849 1.00 0.00 0.070 C +ATOM 9858 CG PHE B 478 176.574 218.032 242.253 1.00 0.00 -0.045 A +ATOM 9859 CD1 PHE B 478 175.482 217.277 241.866 1.00 0.00 0.004 A +ATOM 9860 CD2 PHE B 478 177.551 217.438 243.032 1.00 0.00 0.004 A +ATOM 9861 CE1 PHE B 478 175.369 215.956 242.242 1.00 0.00 0.000 A +ATOM 9862 CE2 PHE B 478 177.443 216.116 243.411 1.00 0.00 0.000 A +ATOM 9863 CZ PHE B 478 176.350 215.375 243.015 1.00 0.00 0.000 A +ATOM 9864 H PHE B 478 178.997 218.974 241.212 1.00 0.00 0.164 HD +ATOM 9865 C GLU B 479 178.601 223.587 238.830 1.00 0.00 0.242 C +ATOM 9866 O GLU B 479 178.150 224.605 238.306 1.00 0.00 -0.273 OA +ATOM 9867 CA GLU B 479 178.395 223.313 240.317 1.00 0.00 0.171 C +ATOM 9868 N GLU B 479 178.298 221.884 240.565 1.00 0.00 -0.344 N +ATOM 9869 CB GLU B 479 179.537 223.909 241.138 1.00 0.00 0.041 C +ATOM 9870 CG GLU B 479 179.637 225.418 241.067 1.00 0.00 0.055 C +ATOM 9871 CD GLU B 479 180.783 225.960 241.896 1.00 0.00 0.041 C +ATOM 9872 OE1 GLU B 479 181.015 225.437 243.006 1.00 0.00 -0.548 OA +ATOM 9873 OE2 GLU B 479 181.455 226.906 241.434 1.00 0.00 -0.549 OA +ATOM 9874 H GLU B 479 178.954 221.564 241.020 1.00 0.00 0.164 HD +ATOM 9875 C GLU B 480 178.150 222.602 235.995 1.00 0.00 0.242 C +ATOM 9876 O GLU B 480 177.905 223.227 234.963 1.00 0.00 -0.273 OA +ATOM 9877 CA GLU B 480 179.483 222.773 236.716 1.00 0.00 0.171 C +ATOM 9878 N GLU B 480 179.286 222.672 238.155 1.00 0.00 -0.344 N +ATOM 9879 CB GLU B 480 180.485 221.723 236.236 1.00 0.00 0.041 C +ATOM 9880 CG GLU B 480 180.930 221.898 234.792 1.00 0.00 0.055 C +ATOM 9881 CD GLU B 480 181.763 220.734 234.291 1.00 0.00 0.041 C +ATOM 9882 OE1 GLU B 480 182.168 219.891 235.119 1.00 0.00 -0.548 OA +ATOM 9883 OE2 GLU B 480 182.010 220.660 233.069 1.00 0.00 -0.549 OA +ATOM 9884 H GLU B 480 179.649 221.978 238.510 1.00 0.00 0.164 HD +ATOM 9885 C LEU B 481 175.050 222.687 236.027 1.00 0.00 0.243 C +ATOM 9886 O LEU B 481 174.443 223.060 235.025 1.00 0.00 -0.272 OA +ATOM 9887 CA LEU B 481 175.988 221.480 235.958 1.00 0.00 0.172 C +ATOM 9888 N LEU B 481 177.290 221.757 236.552 1.00 0.00 -0.345 N +ATOM 9889 CB LEU B 481 175.338 220.278 236.648 1.00 0.00 0.038 C +ATOM 9890 CG LEU B 481 173.895 219.961 236.248 1.00 0.00 -0.015 C +ATOM 9891 CD1 LEU B 481 173.776 219.795 234.747 1.00 0.00 0.007 C +ATOM 9892 CD2 LEU B 481 173.403 218.711 236.961 1.00 0.00 0.007 C +ATOM 9893 H LEU B 481 177.439 221.326 237.282 1.00 0.00 0.165 HD +ATOM 9894 C THR B 482 174.588 225.757 237.160 1.00 0.00 0.245 C +ATOM 9895 O THR B 482 173.866 226.716 236.889 1.00 0.00 -0.273 OA +ATOM 9896 CA THR B 482 173.982 224.379 237.418 1.00 0.00 0.199 C +ATOM 9897 N THR B 482 174.937 223.294 237.205 1.00 0.00 -0.341 N +ATOM 9898 CB THR B 482 173.425 224.361 238.851 1.00 0.00 0.143 C +ATOM 9899 CG2 THR B 482 172.780 223.017 239.163 1.00 0.00 0.041 C +ATOM 9900 OG1 THR B 482 174.484 224.614 239.781 1.00 0.00 -0.389 OA +ATOM 9901 HG1 THR B 482 174.827 225.366 239.629 1.00 0.00 0.211 HD +ATOM 9902 H THR B 482 175.403 223.096 237.900 1.00 0.00 0.164 HD +ATOM 9903 C GLY B 483 176.191 228.053 238.240 1.00 0.00 0.239 C +ATOM 9904 O GLY B 483 175.984 229.249 238.043 1.00 0.00 -0.273 OA +ATOM 9905 CA GLY B 483 176.585 227.132 237.105 1.00 0.00 0.216 C +ATOM 9906 N GLY B 483 175.911 225.853 237.246 1.00 0.00 -0.346 N +ATOM 9907 H GLY B 483 176.439 225.190 237.387 1.00 0.00 0.164 HD +ATOM 9908 C GLU B 484 175.758 227.326 241.842 1.00 0.00 0.242 C +ATOM 9909 O GLU B 484 175.930 226.113 241.734 1.00 0.00 -0.273 OA +ATOM 9910 CA GLU B 484 175.575 228.195 240.594 1.00 0.00 0.171 C +ATOM 9911 N GLU B 484 176.094 227.482 239.435 1.00 0.00 -0.344 N +ATOM 9912 CB GLU B 484 174.108 228.575 240.342 1.00 0.00 0.041 C +ATOM 9913 CG GLU B 484 173.177 228.571 241.541 1.00 0.00 0.055 C +ATOM 9914 CD GLU B 484 172.583 227.210 241.810 1.00 0.00 0.041 C +ATOM 9915 OE1 GLU B 484 171.543 227.162 242.487 1.00 0.00 -0.548 OA +ATOM 9916 OE2 GLU B 484 173.139 226.191 241.344 1.00 0.00 -0.549 OA +ATOM 9917 H GLU B 484 176.325 226.671 239.602 1.00 0.00 0.164 HD +ATOM 9918 C LYS B 485 174.969 226.718 245.081 1.00 0.00 0.242 C +ATOM 9919 O LYS B 485 175.164 225.795 245.874 1.00 0.00 -0.273 OA +ATOM 9920 CA LYS B 485 176.129 227.287 244.258 1.00 0.00 0.171 C +ATOM 9921 N LYS B 485 175.733 227.950 243.017 1.00 0.00 -0.344 N +ATOM 9922 CB LYS B 485 176.920 228.271 245.126 1.00 0.00 0.035 C +ATOM 9923 CG LYS B 485 177.957 229.089 244.362 1.00 0.00 0.008 C +ATOM 9924 CD LYS B 485 179.071 228.218 243.794 1.00 0.00 0.061 C +ATOM 9925 CE LYS B 485 180.315 228.267 244.664 1.00 0.00 0.258 C +ATOM 9926 NZ LYS B 485 180.961 229.608 244.642 1.00 0.00 -0.357 N +ATOM 9927 HZ1 LYS B 485 181.685 229.605 245.160 1.00 0.00 0.345 HD +ATOM 9928 HZ2 LYS B 485 181.201 229.816 243.811 1.00 0.00 0.345 HD +ATOM 9929 HZ3 LYS B 485 180.393 230.224 244.942 1.00 0.00 0.345 HD +ATOM 9930 H LYS B 485 175.488 228.767 243.124 1.00 0.00 0.164 HD +ATOM 9931 C GLU B 486 172.015 225.570 245.436 1.00 0.00 0.242 C +ATOM 9932 O GLU B 486 171.999 224.666 246.272 1.00 0.00 -0.273 OA +ATOM 9933 CA GLU B 486 172.642 226.928 245.769 1.00 0.00 0.171 C +ATOM 9934 N GLU B 486 173.771 227.261 244.901 1.00 0.00 -0.344 N +ATOM 9935 CB GLU B 486 171.582 228.031 245.686 1.00 0.00 0.041 C +ATOM 9936 CG GLU B 486 170.425 227.874 246.662 1.00 0.00 0.055 C +ATOM 9937 CD GLU B 486 169.510 229.084 246.676 1.00 0.00 0.041 C +ATOM 9938 OE1 GLU B 486 168.503 229.060 247.413 1.00 0.00 -0.548 OA +ATOM 9939 OE2 GLU B 486 169.796 230.061 245.951 1.00 0.00 -0.549 OA +ATOM 9940 H GLU B 486 173.583 227.827 244.281 1.00 0.00 0.164 HD +ATOM 9941 C MET B 487 171.890 223.055 243.701 1.00 0.00 0.242 C +ATOM 9942 O MET B 487 171.575 221.912 244.037 1.00 0.00 -0.272 OA +ATOM 9943 CA MET B 487 170.878 224.192 243.771 1.00 0.00 0.172 C +ATOM 9944 N MET B 487 171.496 225.437 244.220 1.00 0.00 -0.344 N +ATOM 9945 CB MET B 487 170.222 224.382 242.400 1.00 0.00 0.046 C +ATOM 9946 CG MET B 487 169.009 225.301 242.410 1.00 0.00 0.072 C +ATOM 9947 SD MET B 487 168.134 225.322 240.838 1.00 0.00 -0.165 SA +ATOM 9948 CE MET B 487 169.366 226.045 239.758 1.00 0.00 0.085 C +ATOM 9949 H MET B 487 171.489 226.061 243.628 1.00 0.00 0.164 HD +ATOM 9950 C SER B 488 174.435 221.732 244.517 1.00 0.00 0.244 C +ATOM 9951 O SER B 488 174.827 220.569 244.593 1.00 0.00 -0.272 OA +ATOM 9952 CA SER B 488 174.167 222.379 243.163 1.00 0.00 0.197 C +ATOM 9953 N SER B 488 173.103 223.371 243.257 1.00 0.00 -0.342 N +ATOM 9954 CB SER B 488 175.450 223.016 242.632 1.00 0.00 0.191 C +ATOM 9955 OG SER B 488 175.945 223.988 243.535 1.00 0.00 -0.392 OA +ATOM 9956 HG SER B 488 176.649 224.330 243.232 1.00 0.00 0.210 HD +ATOM 9957 H SER B 488 173.336 224.159 243.001 1.00 0.00 0.164 HD +ATOM 9958 C ALA B 489 173.303 221.045 247.327 1.00 0.00 0.243 C +ATOM 9959 O ALA B 489 173.541 220.021 247.964 1.00 0.00 -0.272 OA +ATOM 9960 CA ALA B 489 174.426 221.995 246.934 1.00 0.00 0.168 C +ATOM 9961 N ALA B 489 174.220 222.495 245.583 1.00 0.00 -0.344 N +ATOM 9962 CB ALA B 489 174.517 223.145 247.915 1.00 0.00 0.041 C +ATOM 9963 H ALA B 489 173.953 223.312 245.548 1.00 0.00 0.164 HD +ATOM 9964 C GLU B 490 171.150 219.219 246.370 1.00 0.00 0.242 C +ATOM 9965 O GLU B 490 170.856 218.125 246.849 1.00 0.00 -0.273 OA +ATOM 9966 CA GLU B 490 170.945 220.501 247.167 1.00 0.00 0.171 C +ATOM 9967 N GLU B 490 172.076 221.391 246.951 1.00 0.00 -0.344 N +ATOM 9968 CB GLU B 490 169.631 221.172 246.760 1.00 0.00 0.041 C +ATOM 9969 CG GLU B 490 169.270 222.408 247.568 1.00 0.00 0.055 C +ATOM 9970 CD GLU B 490 168.930 222.096 249.011 1.00 0.00 0.041 C +ATOM 9971 OE1 GLU B 490 168.865 220.902 249.369 1.00 0.00 -0.548 OA +ATOM 9972 OE2 GLU B 490 168.724 223.050 249.791 1.00 0.00 -0.549 OA +ATOM 9973 H GLU B 490 171.873 222.134 246.569 1.00 0.00 0.164 HD +ATOM 9974 C LEU B 491 172.963 217.291 244.959 1.00 0.00 0.243 C +ATOM 9975 O LEU B 491 172.784 216.074 244.967 1.00 0.00 -0.272 OA +ATOM 9976 CA LEU B 491 171.952 218.220 244.301 1.00 0.00 0.172 C +ATOM 9977 N LEU B 491 171.660 219.366 245.151 1.00 0.00 -0.345 N +ATOM 9978 CB LEU B 491 172.484 218.677 242.942 1.00 0.00 0.038 C +ATOM 9979 CG LEU B 491 171.481 219.063 241.854 1.00 0.00 -0.015 C +ATOM 9980 CD1 LEU B 491 172.228 219.566 240.629 1.00 0.00 0.007 C +ATOM 9981 CD2 LEU B 491 170.596 217.883 241.484 1.00 0.00 0.007 C +ATOM 9982 H LEU B 491 171.846 220.125 244.792 1.00 0.00 0.165 HD +ATOM 9983 C GLU B 492 174.548 216.387 247.393 1.00 0.00 0.242 C +ATOM 9984 O GLU B 492 174.916 215.251 247.685 1.00 0.00 -0.273 OA +ATOM 9985 CA GLU B 492 175.074 217.076 246.141 1.00 0.00 0.171 C +ATOM 9986 N GLU B 492 174.028 217.868 245.505 1.00 0.00 -0.344 N +ATOM 9987 CB GLU B 492 176.279 217.949 246.493 1.00 0.00 0.041 C +ATOM 9988 CG GLU B 492 177.426 217.170 247.119 1.00 0.00 0.055 C +ATOM 9989 CD GLU B 492 178.767 217.850 246.938 1.00 0.00 0.041 C +ATOM 9990 OE1 GLU B 492 178.931 218.987 247.424 1.00 0.00 -0.548 OA +ATOM 9991 OE2 GLU B 492 179.656 217.246 246.304 1.00 0.00 -0.549 OA +ATOM 9992 H GLU B 492 174.168 218.717 245.521 1.00 0.00 0.164 HD +ATOM 9993 C ALA B 493 172.153 215.390 249.035 1.00 0.00 0.243 C +ATOM 9994 O ALA B 493 171.966 214.480 249.842 1.00 0.00 -0.272 OA +ATOM 9995 CA ALA B 493 173.115 216.528 249.353 1.00 0.00 0.168 C +ATOM 9996 N ALA B 493 173.683 217.078 248.128 1.00 0.00 -0.344 N +ATOM 9997 CB ALA B 493 172.407 217.614 250.145 1.00 0.00 0.041 C +ATOM 9998 H ALA B 493 173.409 217.871 247.939 1.00 0.00 0.164 HD +ATOM 9999 C LEU B 494 171.293 213.250 246.755 1.00 0.00 0.243 C +ATOM 10000 O LEU B 494 170.960 212.097 247.016 1.00 0.00 -0.272 OA +ATOM 10001 CA LEU B 494 170.596 214.429 247.432 1.00 0.00 0.172 C +ATOM 10002 N LEU B 494 171.546 215.449 247.855 1.00 0.00 -0.345 N +ATOM 10003 CB LEU B 494 169.555 215.037 246.489 1.00 0.00 0.038 C +ATOM 10004 CG LEU B 494 168.563 216.006 247.140 1.00 0.00 -0.015 C +ATOM 10005 CD1 LEU B 494 167.786 216.776 246.082 1.00 0.00 0.007 C +ATOM 10006 CD2 LEU B 494 167.609 215.264 248.062 1.00 0.00 0.007 C +ATOM 10007 H LEU B 494 171.669 216.074 247.277 1.00 0.00 0.165 HD +ATOM 10008 C TYR B 495 174.294 212.092 245.524 1.00 0.00 0.243 C +ATOM 10009 O TYR B 495 174.661 210.923 245.404 1.00 0.00 -0.272 OA +ATOM 10010 CA TYR B 495 172.895 212.510 245.072 1.00 0.00 0.175 C +ATOM 10011 N TYR B 495 172.275 213.539 245.905 1.00 0.00 -0.343 N +ATOM 10012 CB TYR B 495 172.955 212.992 243.627 1.00 0.00 0.070 C +ATOM 10013 CG TYR B 495 171.632 212.899 242.908 1.00 0.00 -0.045 A +ATOM 10014 CD1 TYR B 495 171.093 211.666 242.572 1.00 0.00 0.007 A +ATOM 10015 CD2 TYR B 495 170.923 214.040 242.556 1.00 0.00 0.007 A +ATOM 10016 CE1 TYR B 495 169.886 211.571 241.910 1.00 0.00 0.046 A +ATOM 10017 CE2 TYR B 495 169.715 213.952 241.892 1.00 0.00 0.046 A +ATOM 10018 CZ TYR B 495 169.203 212.715 241.573 1.00 0.00 0.115 A +ATOM 10019 OH TYR B 495 168.003 212.619 240.913 1.00 0.00 -0.507 OA +ATOM 10020 HH TYR B 495 167.811 211.812 240.783 1.00 0.00 0.294 HD +ATOM 10021 H TYR B 495 172.602 214.326 245.792 1.00 0.00 0.164 HD +ATOM 10022 C GLY B 496 177.439 212.725 245.346 1.00 0.00 0.239 C +ATOM 10023 O GLY B 496 178.470 213.393 245.417 1.00 0.00 -0.273 OA +ATOM 10024 CA GLY B 496 176.426 212.751 246.478 1.00 0.00 0.216 C +ATOM 10025 N GLY B 496 175.076 213.042 246.026 1.00 0.00 -0.346 N +ATOM 10026 H GLY B 496 174.846 213.866 246.115 1.00 0.00 0.164 HD +ATOM 10027 C ASP B 497 177.361 212.413 241.911 1.00 0.00 0.242 C +ATOM 10028 O ASP B 497 176.190 212.151 241.639 1.00 0.00 -0.273 OA +ATOM 10029 CA ASP B 497 178.026 211.817 243.147 1.00 0.00 0.176 C +ATOM 10030 N ASP B 497 177.145 211.949 244.306 1.00 0.00 -0.343 N +ATOM 10031 CB ASP B 497 178.374 210.345 242.909 1.00 0.00 0.087 C +ATOM 10032 CG ASP B 497 179.458 210.157 241.862 1.00 0.00 0.044 C +ATOM 10033 OD1 ASP B 497 179.809 211.132 241.165 1.00 0.00 -0.548 OA +ATOM 10034 OD2 ASP B 497 179.958 209.020 241.731 1.00 0.00 -0.549 OA +ATOM 10035 H ASP B 497 176.426 211.480 244.247 1.00 0.00 0.164 HD +ATOM 10036 C ILE B 498 177.131 212.858 238.938 1.00 0.00 0.243 C +ATOM 10037 O ILE B 498 176.232 213.135 238.147 1.00 0.00 -0.272 OA +ATOM 10038 CA ILE B 498 177.597 213.878 239.976 1.00 0.00 0.174 C +ATOM 10039 N ILE B 498 178.117 213.215 241.168 1.00 0.00 -0.343 N +ATOM 10040 CB ILE B 498 178.661 214.816 239.338 1.00 0.00 0.018 C +ATOM 10041 CG2 ILE B 498 179.924 214.041 238.983 1.00 0.00 0.010 C +ATOM 10042 CG1 ILE B 498 178.112 215.516 238.089 1.00 0.00 0.002 C +ATOM 10043 CD1 ILE B 498 176.868 216.349 238.334 1.00 0.00 0.004 C +ATOM 10044 H ILE B 498 178.942 213.394 241.334 1.00 0.00 0.164 HD +ATOM 10045 C ASP B 499 176.156 209.844 238.439 1.00 0.00 0.242 C +ATOM 10046 O ASP B 499 175.757 208.889 237.774 1.00 0.00 -0.273 OA +ATOM 10047 CA ASP B 499 177.394 210.626 238.002 1.00 0.00 0.176 C +ATOM 10048 N ASP B 499 177.740 211.677 238.953 1.00 0.00 -0.343 N +ATOM 10049 CB ASP B 499 178.575 209.672 237.813 1.00 0.00 0.087 C +ATOM 10050 CG ASP B 499 179.690 210.281 236.988 1.00 0.00 0.044 C +ATOM 10051 OD1 ASP B 499 179.494 210.467 235.766 1.00 0.00 -0.548 OA +ATOM 10052 OD2 ASP B 499 180.766 210.568 237.555 1.00 0.00 -0.549 OA +ATOM 10053 H ASP B 499 178.360 211.458 239.507 1.00 0.00 0.164 HD +ATOM 10054 C ALA B 500 173.103 210.458 239.791 1.00 0.00 0.243 C +ATOM 10055 O ALA B 500 171.980 210.029 240.050 1.00 0.00 -0.272 OA +ATOM 10056 CA ALA B 500 174.341 209.606 240.056 1.00 0.00 0.168 C +ATOM 10057 N ALA B 500 175.552 210.251 239.552 1.00 0.00 -0.344 N +ATOM 10058 CB ALA B 500 174.474 209.324 241.538 1.00 0.00 0.041 C +ATOM 10059 H ALA B 500 175.826 210.905 240.038 1.00 0.00 0.164 HD +ATOM 10060 C VAL B 501 171.386 212.008 237.796 1.00 0.00 0.243 C +ATOM 10061 O VAL B 501 171.938 211.560 236.792 1.00 0.00 -0.272 OA +ATOM 10062 CA VAL B 501 172.206 212.562 238.960 1.00 0.00 0.173 C +ATOM 10063 N VAL B 501 173.312 211.665 239.276 1.00 0.00 -0.343 N +ATOM 10064 CB VAL B 501 172.711 213.974 238.608 1.00 0.00 0.015 C +ATOM 10065 CG1 VAL B 501 171.544 214.901 238.319 1.00 0.00 0.010 C +ATOM 10066 CG2 VAL B 501 173.555 214.532 239.742 1.00 0.00 0.010 C +ATOM 10067 H VAL B 501 174.088 211.990 239.099 1.00 0.00 0.164 HD +ATOM 10068 C GLU B 502 168.886 212.421 235.793 1.00 0.00 0.242 C +ATOM 10069 O GLU B 502 169.080 213.632 235.902 1.00 0.00 -0.273 OA +ATOM 10070 CA GLU B 502 169.158 211.474 236.955 1.00 0.00 0.171 C +ATOM 10071 N GLU B 502 170.065 212.055 237.939 1.00 0.00 -0.344 N +ATOM 10072 CB GLU B 502 167.839 211.082 237.618 1.00 0.00 0.041 C +ATOM 10073 CG GLU B 502 167.975 209.996 238.669 1.00 0.00 0.055 C +ATOM 10074 CD GLU B 502 166.718 209.833 239.493 1.00 0.00 0.041 C +ATOM 10075 OE1 GLU B 502 165.836 209.049 239.090 1.00 0.00 -0.548 OA +ATOM 10076 OE2 GLU B 502 166.614 210.494 240.547 1.00 0.00 -0.549 OA +ATOM 10077 H GLU B 502 169.665 212.423 238.606 1.00 0.00 0.164 HD +ATOM 10078 C LEU B 503 167.278 213.750 233.524 1.00 0.00 0.243 C +ATOM 10079 O LEU B 503 167.650 214.881 233.210 1.00 0.00 -0.272 OA +ATOM 10080 CA LEU B 503 168.241 212.566 233.436 1.00 0.00 0.172 C +ATOM 10081 N LEU B 503 168.415 211.847 234.693 1.00 0.00 -0.345 N +ATOM 10082 CB LEU B 503 167.755 211.591 232.360 1.00 0.00 0.038 C +ATOM 10083 CG LEU B 503 167.428 212.163 230.980 1.00 0.00 -0.015 C +ATOM 10084 CD1 LEU B 503 168.591 212.970 230.433 1.00 0.00 0.007 C +ATOM 10085 CD2 LEU B 503 167.067 211.036 230.029 1.00 0.00 0.007 C +ATOM 10086 H LEU B 503 168.182 211.020 234.648 1.00 0.00 0.165 HD +ATOM 10087 C TYR B 504 165.244 215.686 234.835 1.00 0.00 0.243 C +ATOM 10088 O TYR B 504 165.101 216.841 234.438 1.00 0.00 -0.272 OA +ATOM 10089 CA TYR B 504 164.998 214.515 233.882 1.00 0.00 0.175 C +ATOM 10090 N TYR B 504 166.042 213.493 233.942 1.00 0.00 -0.343 N +ATOM 10091 CB TYR B 504 163.626 213.899 234.164 1.00 0.00 0.070 C +ATOM 10092 CG TYR B 504 162.523 214.923 234.283 1.00 0.00 -0.045 A +ATOM 10093 CD1 TYR B 504 161.931 215.196 235.507 1.00 0.00 0.007 A +ATOM 10094 CD2 TYR B 504 162.082 215.625 233.172 1.00 0.00 0.007 A +ATOM 10095 CE1 TYR B 504 160.924 216.134 235.621 1.00 0.00 0.046 A +ATOM 10096 CE2 TYR B 504 161.076 216.566 233.274 1.00 0.00 0.046 A +ATOM 10097 CZ TYR B 504 160.501 216.816 234.500 1.00 0.00 0.115 A +ATOM 10098 OH TYR B 504 159.498 217.752 234.608 1.00 0.00 -0.507 OA +ATOM 10099 HH TYR B 504 159.338 218.090 233.856 1.00 0.00 0.294 HD +ATOM 10100 H TYR B 504 165.782 212.739 234.264 1.00 0.00 0.164 HD +ATOM 10101 C PRO B 505 167.064 217.380 236.533 1.00 0.00 0.243 C +ATOM 10102 O PRO B 505 167.038 218.603 236.652 1.00 0.00 -0.271 OA +ATOM 10103 CA PRO B 505 165.885 216.533 236.995 1.00 0.00 0.175 C +ATOM 10104 N PRO B 505 165.608 215.405 236.098 1.00 0.00 -0.329 N +ATOM 10105 CB PRO B 505 166.202 215.849 238.330 1.00 0.00 0.037 C +ATOM 10106 CG PRO B 505 165.558 214.518 238.239 1.00 0.00 0.024 C +ATOM 10107 CD PRO B 505 165.675 214.117 236.808 1.00 0.00 0.121 C +ATOM 10108 C ALA B 506 168.982 218.360 234.406 1.00 0.00 0.243 C +ATOM 10109 O ALA B 506 169.521 219.462 234.340 1.00 0.00 -0.272 OA +ATOM 10110 CA ALA B 506 169.290 217.416 235.563 1.00 0.00 0.168 C +ATOM 10111 N ALA B 506 168.090 216.725 236.004 1.00 0.00 -0.344 N +ATOM 10112 CB ALA B 506 170.346 216.417 235.158 1.00 0.00 0.041 C +ATOM 10113 H ALA B 506 168.114 215.872 235.890 1.00 0.00 0.164 HD +ATOM 10114 C LEU B 507 167.134 220.061 232.731 1.00 0.00 0.243 C +ATOM 10115 O LEU B 507 167.381 221.077 232.086 1.00 0.00 -0.272 OA +ATOM 10116 CA LEU B 507 167.747 218.725 232.335 1.00 0.00 0.172 C +ATOM 10117 N LEU B 507 168.110 217.925 233.501 1.00 0.00 -0.345 N +ATOM 10118 CB LEU B 507 166.767 217.962 231.444 1.00 0.00 0.038 C +ATOM 10119 CG LEU B 507 167.338 216.843 230.571 1.00 0.00 -0.015 C +ATOM 10120 CD1 LEU B 507 166.214 215.968 230.048 1.00 0.00 0.007 C +ATOM 10121 CD2 LEU B 507 168.141 217.414 229.421 1.00 0.00 0.007 C +ATOM 10122 H LEU B 507 167.712 217.164 233.540 1.00 0.00 0.165 HD +ATOM 10123 C LEU B 508 166.402 222.212 235.049 1.00 0.00 0.243 C +ATOM 10124 O LEU B 508 166.110 223.407 235.074 1.00 0.00 -0.272 OA +ATOM 10125 CA LEU B 508 165.591 221.248 234.185 1.00 0.00 0.172 C +ATOM 10126 N LEU B 508 166.337 220.056 233.794 1.00 0.00 -0.345 N +ATOM 10127 CB LEU B 508 164.313 220.847 234.921 1.00 0.00 0.038 C +ATOM 10128 CG LEU B 508 163.279 220.018 234.150 1.00 0.00 -0.015 C +ATOM 10129 CD1 LEU B 508 161.919 220.148 234.816 1.00 0.00 0.007 C +ATOM 10130 CD2 LEU B 508 163.190 220.412 232.683 1.00 0.00 0.007 C +ATOM 10131 H LEU B 508 166.210 219.376 234.305 1.00 0.00 0.165 HD +ATOM 10132 C VAL B 509 169.570 222.910 235.910 1.00 0.00 0.243 C +ATOM 10133 O VAL B 509 170.343 223.718 236.426 1.00 0.00 -0.272 OA +ATOM 10134 CA VAL B 509 168.253 222.564 236.593 1.00 0.00 0.173 C +ATOM 10135 N VAL B 509 167.416 221.708 235.751 1.00 0.00 -0.343 N +ATOM 10136 CB VAL B 509 168.566 221.917 237.965 1.00 0.00 0.015 C +ATOM 10137 CG1 VAL B 509 167.282 221.490 238.657 1.00 0.00 0.010 C +ATOM 10138 CG2 VAL B 509 169.523 220.736 237.815 1.00 0.00 0.010 C +ATOM 10139 H VAL B 509 167.639 220.878 235.758 1.00 0.00 0.164 HD +ATOM 10140 C GLU B 510 171.145 224.067 233.682 1.00 0.00 0.242 C +ATOM 10141 O GLU B 510 170.134 224.729 233.450 1.00 0.00 -0.273 OA +ATOM 10142 CA GLU B 510 171.050 222.582 234.010 1.00 0.00 0.171 C +ATOM 10143 N GLU B 510 169.830 222.297 234.759 1.00 0.00 -0.344 N +ATOM 10144 CB GLU B 510 171.103 221.759 232.722 1.00 0.00 0.041 C +ATOM 10145 CG GLU B 510 172.370 221.975 231.899 1.00 0.00 0.055 C +ATOM 10146 CD GLU B 510 172.421 221.108 230.654 1.00 0.00 0.041 C +ATOM 10147 OE1 GLU B 510 171.393 220.998 229.955 1.00 0.00 -0.548 OA +ATOM 10148 OE2 GLU B 510 173.493 220.536 230.377 1.00 0.00 -0.549 OA +ATOM 10149 H GLU B 510 169.317 221.713 234.391 1.00 0.00 0.164 HD +ATOM 10150 C LYS B 511 172.096 226.260 231.918 1.00 0.00 0.242 C +ATOM 10151 O LYS B 511 172.519 225.608 230.963 1.00 0.00 -0.273 OA +ATOM 10152 CA LYS B 511 172.607 225.974 233.330 1.00 0.00 0.171 C +ATOM 10153 N LYS B 511 172.366 224.584 233.681 1.00 0.00 -0.344 N +ATOM 10154 CB LYS B 511 174.095 226.290 233.420 1.00 0.00 0.035 C +ATOM 10155 CG LYS B 511 174.440 227.760 233.233 1.00 0.00 0.008 C +ATOM 10156 CD LYS B 511 175.825 227.919 232.630 1.00 0.00 0.061 C +ATOM 10157 CE LYS B 511 176.908 227.244 233.471 1.00 0.00 0.258 C +ATOM 10158 NZ LYS B 511 178.120 226.949 232.667 1.00 0.00 -0.357 N +ATOM 10159 HZ1 LYS B 511 178.734 226.557 233.177 1.00 0.00 0.345 HD +ATOM 10160 HZ2 LYS B 511 177.913 226.404 231.994 1.00 0.00 0.345 HD +ATOM 10161 HZ3 LYS B 511 178.456 227.703 232.336 1.00 0.00 0.345 HD +ATOM 10162 H LYS B 511 173.078 224.145 233.882 1.00 0.00 0.164 HD +ATOM 10163 C PRO B 512 171.818 228.152 229.556 1.00 0.00 0.243 C +ATOM 10164 O PRO B 512 172.777 228.713 230.083 1.00 0.00 -0.271 OA +ATOM 10165 CA PRO B 512 170.717 227.555 230.422 1.00 0.00 0.175 C +ATOM 10166 N PRO B 512 171.182 227.232 231.774 1.00 0.00 -0.329 N +ATOM 10167 CB PRO B 512 169.608 228.589 230.665 1.00 0.00 0.037 C +ATOM 10168 CG PRO B 512 169.248 228.458 232.100 1.00 0.00 0.024 C +ATOM 10169 CD PRO B 512 170.484 228.024 232.798 1.00 0.00 0.121 C +ATOM 10170 C ARG B 513 172.247 230.286 227.626 1.00 0.00 0.242 C +ATOM 10171 O ARG B 513 171.207 230.629 228.189 1.00 0.00 -0.273 OA +ATOM 10172 CA ARG B 513 172.502 228.809 227.330 1.00 0.00 0.171 C +ATOM 10173 N ARG B 513 171.682 228.028 228.241 1.00 0.00 -0.344 N +ATOM 10174 CB ARG B 513 172.174 228.482 225.871 1.00 0.00 0.038 C +ATOM 10175 CG ARG B 513 173.244 227.693 225.134 1.00 0.00 0.040 C +ATOM 10176 CD ARG B 513 173.410 226.299 225.699 1.00 0.00 0.197 C +ATOM 10177 NE ARG B 513 174.295 225.478 224.876 1.00 0.00 -0.278 N +ATOM 10178 HE ARG B 513 175.114 225.396 225.127 1.00 0.00 0.260 HD +ATOM 10179 CZ ARG B 513 173.921 224.850 223.765 1.00 0.00 0.339 C +ATOM 10180 NH1 ARG B 513 174.799 224.122 223.086 1.00 0.00 -0.290 N +ATOM 10181 NH2 ARG B 513 172.673 224.946 223.326 1.00 0.00 -0.290 N +ATOM 10182 HH12 ARG B 513 175.610 224.057 223.365 1.00 0.00 0.256 HD +ATOM 10183 HH11 ARG B 513 174.558 223.718 222.367 1.00 0.00 0.256 HD +ATOM 10184 HH22 ARG B 513 172.099 225.415 223.762 1.00 0.00 0.256 HD +ATOM 10185 HH21 ARG B 513 172.438 224.538 222.607 1.00 0.00 0.256 HD +ATOM 10186 H ARG B 513 171.124 227.500 227.854 1.00 0.00 0.164 HD +ATOM 10187 C PRO B 514 171.683 233.144 226.998 1.00 0.00 0.243 C +ATOM 10188 O PRO B 514 171.431 233.130 225.793 1.00 0.00 -0.271 OA +ATOM 10189 CA PRO B 514 173.018 232.601 227.510 1.00 0.00 0.175 C +ATOM 10190 N PRO B 514 173.193 231.165 227.256 1.00 0.00 -0.329 N +ATOM 10191 CB PRO B 514 174.193 233.231 226.756 1.00 0.00 0.037 C +ATOM 10192 CG PRO B 514 175.233 232.173 226.737 1.00 0.00 0.024 C +ATOM 10193 CD PRO B 514 174.493 230.872 226.629 1.00 0.00 0.121 C +ATOM 10194 C ASP B 515 168.707 233.184 226.737 1.00 0.00 0.242 C +ATOM 10195 O ASP B 515 167.949 233.601 225.861 1.00 0.00 -0.273 OA +ATOM 10196 CA ASP B 515 169.527 234.149 227.593 1.00 0.00 0.176 C +ATOM 10197 N ASP B 515 170.841 233.599 227.923 1.00 0.00 -0.343 N +ATOM 10198 CB ASP B 515 169.682 235.492 226.879 1.00 0.00 0.087 C +ATOM 10199 CG ASP B 515 170.181 236.584 227.802 1.00 0.00 0.044 C +ATOM 10200 OD1 ASP B 515 169.578 236.769 228.879 1.00 0.00 -0.548 OA +ATOM 10201 OD2 ASP B 515 171.180 237.249 227.454 1.00 0.00 -0.549 OA +ATOM 10202 H ASP B 515 171.012 233.601 228.766 1.00 0.00 0.164 HD +ATOM 10203 C ALA B 516 167.151 230.125 227.142 1.00 0.00 0.243 C +ATOM 10204 O ALA B 516 167.197 230.207 228.371 1.00 0.00 -0.272 OA +ATOM 10205 CA ALA B 516 168.163 230.851 226.264 1.00 0.00 0.168 C +ATOM 10206 N ALA B 516 168.861 231.892 227.009 1.00 0.00 -0.344 N +ATOM 10207 CB ALA B 516 169.156 229.862 225.683 1.00 0.00 0.041 C +ATOM 10208 H ALA B 516 169.374 231.588 227.629 1.00 0.00 0.164 HD +ATOM 10209 C ILE B 517 165.761 227.344 227.722 1.00 0.00 0.243 C +ATOM 10210 O ILE B 517 165.277 226.819 228.721 1.00 0.00 -0.272 OA +ATOM 10211 CA ILE B 517 165.202 228.666 227.193 1.00 0.00 0.174 C +ATOM 10212 N ILE B 517 166.236 229.413 226.495 1.00 0.00 -0.343 N +ATOM 10213 CB ILE B 517 163.988 228.404 226.265 1.00 0.00 0.018 C +ATOM 10214 CG2 ILE B 517 164.346 227.411 225.165 1.00 0.00 0.010 C +ATOM 10215 CG1 ILE B 517 162.789 227.911 227.075 1.00 0.00 0.002 C +ATOM 10216 CD1 ILE B 517 161.497 227.862 226.283 1.00 0.00 0.004 C +ATOM 10217 H ILE B 517 166.193 229.348 225.638 1.00 0.00 0.164 HD +ATOM 10218 C PHE B 518 168.850 225.566 227.720 1.00 0.00 0.243 C +ATOM 10219 O PHE B 518 169.559 226.500 227.348 1.00 0.00 -0.272 OA +ATOM 10220 CA PHE B 518 167.366 225.520 227.396 1.00 0.00 0.175 C +ATOM 10221 N PHE B 518 166.789 226.823 227.056 1.00 0.00 -0.343 N +ATOM 10222 CB PHE B 518 167.177 224.532 226.243 1.00 0.00 0.070 C +ATOM 10223 CG PHE B 518 165.751 224.191 225.954 1.00 0.00 -0.045 A +ATOM 10224 CD1 PHE B 518 164.819 224.096 226.968 1.00 0.00 0.004 A +ATOM 10225 CD2 PHE B 518 165.344 223.964 224.655 1.00 0.00 0.004 A +ATOM 10226 CE1 PHE B 518 163.509 223.778 226.686 1.00 0.00 0.000 A +ATOM 10227 CE2 PHE B 518 164.040 223.643 224.377 1.00 0.00 0.000 A +ATOM 10228 CZ PHE B 518 163.121 223.556 225.389 1.00 0.00 0.000 A +ATOM 10229 H PHE B 518 167.177 227.210 226.393 1.00 0.00 0.164 HD +ATOM 10230 C GLY B 519 171.218 223.374 227.428 1.00 0.00 0.239 C +ATOM 10231 O GLY B 519 170.431 222.916 226.599 1.00 0.00 -0.273 OA +ATOM 10232 CA GLY B 519 170.724 224.259 228.560 1.00 0.00 0.216 C +ATOM 10233 N GLY B 519 169.307 224.524 228.407 1.00 0.00 -0.346 N +ATOM 10234 H GLY B 519 168.803 223.948 228.799 1.00 0.00 0.164 HD +ATOM 10235 C GLU B 520 172.563 220.989 226.078 1.00 0.00 0.242 C +ATOM 10236 O GLU B 520 172.365 220.601 224.927 1.00 0.00 -0.273 OA +ATOM 10237 CA GLU B 520 173.169 222.373 226.336 1.00 0.00 0.171 C +ATOM 10238 N GLU B 520 172.521 223.125 227.406 1.00 0.00 -0.344 N +ATOM 10239 CB GLU B 520 174.655 222.219 226.662 1.00 0.00 0.041 C +ATOM 10240 CG GLU B 520 175.472 221.455 225.623 1.00 0.00 0.055 C +ATOM 10241 CD GLU B 520 176.885 221.153 226.093 1.00 0.00 0.041 C +ATOM 10242 OE1 GLU B 520 177.117 221.123 227.321 1.00 0.00 -0.548 OA +ATOM 10243 OE2 GLU B 520 177.765 220.945 225.232 1.00 0.00 -0.549 OA +ATOM 10244 H GLU B 520 173.067 223.389 228.016 1.00 0.00 0.164 HD +ATOM 10245 C THR B 521 170.519 218.660 226.388 1.00 0.00 0.245 C +ATOM 10246 O THR B 521 170.307 217.733 225.609 1.00 0.00 -0.273 OA +ATOM 10247 CA THR B 521 171.903 218.842 227.004 1.00 0.00 0.199 C +ATOM 10248 N THR B 521 172.280 220.247 227.142 1.00 0.00 -0.341 N +ATOM 10249 CB THR B 521 171.935 218.113 228.361 1.00 0.00 0.143 C +ATOM 10250 CG2 THR B 521 171.713 216.619 228.172 1.00 0.00 0.041 C +ATOM 10251 OG1 THR B 521 173.205 218.320 228.991 1.00 0.00 -0.389 OA +ATOM 10252 HG1 THR B 521 173.333 219.141 229.117 1.00 0.00 0.211 HD +ATOM 10253 H THR B 521 172.298 220.530 227.954 1.00 0.00 0.164 HD +ATOM 10254 C MET B 522 168.268 219.520 224.661 1.00 0.00 0.242 C +ATOM 10255 O MET B 522 167.590 218.759 223.973 1.00 0.00 -0.272 OA +ATOM 10256 CA MET B 522 168.228 219.447 226.183 1.00 0.00 0.172 C +ATOM 10257 N MET B 522 169.576 219.530 226.737 1.00 0.00 -0.344 N +ATOM 10258 CB MET B 522 167.343 220.567 226.733 1.00 0.00 0.046 C +ATOM 10259 CG MET B 522 165.898 220.526 226.236 1.00 0.00 0.072 C +ATOM 10260 SD MET B 522 164.896 219.279 227.068 1.00 0.00 -0.165 SA +ATOM 10261 CE MET B 522 164.693 220.041 228.674 1.00 0.00 0.085 C +ATOM 10262 H MET B 522 169.691 220.177 227.293 1.00 0.00 0.164 HD +ATOM 10263 C VAL B 523 169.855 219.530 221.986 1.00 0.00 0.243 C +ATOM 10264 O VAL B 523 169.341 219.018 220.993 1.00 0.00 -0.272 OA +ATOM 10265 CA VAL B 523 169.164 220.679 222.714 1.00 0.00 0.173 C +ATOM 10266 N VAL B 523 169.076 220.439 224.147 1.00 0.00 -0.343 N +ATOM 10267 CB VAL B 523 169.924 221.991 222.419 1.00 0.00 0.015 C +ATOM 10268 CG1 VAL B 523 169.990 222.255 220.922 1.00 0.00 0.010 C +ATOM 10269 CG2 VAL B 523 169.265 223.158 223.133 1.00 0.00 0.010 C +ATOM 10270 H VAL B 523 169.591 220.944 224.615 1.00 0.00 0.164 HD +ATOM 10271 C GLU B 524 171.249 216.752 221.839 1.00 0.00 0.242 C +ATOM 10272 O GLU B 524 171.513 215.929 220.964 1.00 0.00 -0.273 OA +ATOM 10273 CA GLU B 524 171.851 218.154 221.786 1.00 0.00 0.171 C +ATOM 10274 N GLU B 524 171.025 219.136 222.478 1.00 0.00 -0.344 N +ATOM 10275 CB GLU B 524 173.261 218.146 222.376 1.00 0.00 0.041 C +ATOM 10276 CG GLU B 524 174.028 219.443 222.143 1.00 0.00 0.055 C +ATOM 10277 CD GLU B 524 174.198 219.760 220.670 1.00 0.00 0.041 C +ATOM 10278 OE1 GLU B 524 174.582 218.848 219.907 1.00 0.00 -0.548 OA +ATOM 10279 OE2 GLU B 524 173.934 220.915 220.273 1.00 0.00 -0.549 OA +ATOM 10280 H GLU B 524 171.364 219.423 223.214 1.00 0.00 0.164 HD +ATOM 10281 C VAL B 525 168.428 215.228 222.248 1.00 0.00 0.243 C +ATOM 10282 O VAL B 525 168.047 214.254 221.600 1.00 0.00 -0.272 OA +ATOM 10283 CA VAL B 525 169.761 215.203 222.991 1.00 0.00 0.173 C +ATOM 10284 N VAL B 525 170.443 216.487 222.860 1.00 0.00 -0.343 N +ATOM 10285 CB VAL B 525 169.517 214.838 224.473 1.00 0.00 0.015 C +ATOM 10286 CG1 VAL B 525 168.702 213.554 224.592 1.00 0.00 0.010 C +ATOM 10287 CG2 VAL B 525 170.842 214.691 225.207 1.00 0.00 0.010 C +ATOM 10288 H VAL B 525 170.271 217.039 223.496 1.00 0.00 0.164 HD +ATOM 10289 C GLY B 526 166.381 216.624 220.253 1.00 0.00 0.239 C +ATOM 10290 O GLY B 526 165.551 216.010 219.584 1.00 0.00 -0.273 OA +ATOM 10291 CA GLY B 526 166.400 216.472 221.763 1.00 0.00 0.216 C +ATOM 10292 N GLY B 526 167.724 216.350 222.344 1.00 0.00 -0.346 N +ATOM 10293 H GLY B 526 167.997 217.060 222.745 1.00 0.00 0.164 HD +ATOM 10294 C ALA B 527 167.352 216.536 217.384 1.00 0.00 0.243 C +ATOM 10295 O ALA B 527 166.606 216.461 216.415 1.00 0.00 -0.272 OA +ATOM 10296 CA ALA B 527 167.297 217.768 218.297 1.00 0.00 0.168 C +ATOM 10297 N ALA B 527 167.292 217.435 219.722 1.00 0.00 -0.344 N +ATOM 10298 CB ALA B 527 168.461 218.717 217.980 1.00 0.00 0.041 C +ATOM 10299 H ALA B 527 167.925 217.810 220.169 1.00 0.00 0.164 HD +ATOM 10300 C PRO B 528 166.970 213.578 216.802 1.00 0.00 0.243 C +ATOM 10301 O PRO B 528 166.558 213.124 215.736 1.00 0.00 -0.271 OA +ATOM 10302 CA PRO B 528 168.280 214.368 216.837 1.00 0.00 0.175 C +ATOM 10303 N PRO B 528 168.230 215.565 217.684 1.00 0.00 -0.329 N +ATOM 10304 CB PRO B 528 169.393 213.537 217.480 1.00 0.00 0.037 C +ATOM 10305 CG PRO B 528 170.234 214.523 218.185 1.00 0.00 0.024 C +ATOM 10306 CD PRO B 528 169.288 215.543 218.709 1.00 0.00 0.121 C +ATOM 10307 C PHE B 529 164.016 213.505 217.156 1.00 0.00 0.243 C +ATOM 10308 O PHE B 529 163.275 212.895 216.388 1.00 0.00 -0.272 OA +ATOM 10309 CA PHE B 529 165.032 212.762 218.022 1.00 0.00 0.175 C +ATOM 10310 N PHE B 529 166.337 213.405 217.958 1.00 0.00 -0.343 N +ATOM 10311 CB PHE B 529 164.528 212.706 219.466 1.00 0.00 0.070 C +ATOM 10312 CG PHE B 529 165.243 211.710 220.333 1.00 0.00 -0.045 A +ATOM 10313 CD1 PHE B 529 165.453 210.413 219.901 1.00 0.00 0.004 A +ATOM 10314 CD2 PHE B 529 165.697 212.073 221.590 1.00 0.00 0.004 A +ATOM 10315 CE1 PHE B 529 166.103 209.497 220.706 1.00 0.00 0.000 A +ATOM 10316 CE2 PHE B 529 166.347 211.160 222.397 1.00 0.00 0.000 A +ATOM 10317 CZ PHE B 529 166.550 209.870 221.953 1.00 0.00 0.000 A +ATOM 10318 H PHE B 529 166.645 213.652 218.722 1.00 0.00 0.164 HD +ATOM 10319 C SER B 530 163.202 215.527 215.064 1.00 0.00 0.244 C +ATOM 10320 O SER B 530 162.231 215.298 214.344 1.00 0.00 -0.272 OA +ATOM 10321 CA SER B 530 163.041 215.657 216.571 1.00 0.00 0.197 C +ATOM 10322 N SER B 530 163.990 214.824 217.293 1.00 0.00 -0.342 N +ATOM 10323 CB SER B 530 163.205 217.120 216.981 1.00 0.00 0.191 C +ATOM 10324 OG SER B 530 162.310 217.953 216.262 1.00 0.00 -0.392 OA +ATOM 10325 HG SER B 530 162.411 218.753 216.497 1.00 0.00 0.210 HD +ATOM 10326 H SER B 530 164.521 215.266 217.806 1.00 0.00 0.164 HD +ATOM 10327 C LEU B 531 164.416 214.344 212.522 1.00 0.00 0.243 C +ATOM 10328 O LEU B 531 163.990 214.271 211.366 1.00 0.00 -0.272 OA +ATOM 10329 CA LEU B 531 164.684 215.696 213.154 1.00 0.00 0.172 C +ATOM 10330 N LEU B 531 164.431 215.676 214.585 1.00 0.00 -0.345 N +ATOM 10331 CB LEU B 531 166.123 216.145 212.873 1.00 0.00 0.038 C +ATOM 10332 CG LEU B 531 166.424 217.601 213.251 1.00 0.00 -0.015 C +ATOM 10333 CD1 LEU B 531 167.891 217.908 213.050 1.00 0.00 0.007 C +ATOM 10334 CD2 LEU B 531 165.564 218.569 212.445 1.00 0.00 0.007 C +ATOM 10335 H LEU B 531 165.135 215.769 215.069 1.00 0.00 0.165 HD +ATOM 10336 C LYS B 532 162.870 211.747 212.553 1.00 0.00 0.242 C +ATOM 10337 O LYS B 532 162.429 211.129 211.586 1.00 0.00 -0.273 OA +ATOM 10338 CA LYS B 532 164.378 211.943 212.737 1.00 0.00 0.171 C +ATOM 10339 N LYS B 532 164.652 213.272 213.267 1.00 0.00 -0.344 N +ATOM 10340 CB LYS B 532 164.948 210.855 213.656 1.00 0.00 0.035 C +ATOM 10341 CG LYS B 532 165.858 209.808 212.997 1.00 0.00 0.008 C +ATOM 10342 CD LYS B 532 165.627 209.673 211.494 1.00 0.00 0.061 C +ATOM 10343 CE LYS B 532 166.231 208.418 210.933 1.00 0.00 0.258 C +ATOM 10344 NZ LYS B 532 165.423 207.236 211.263 1.00 0.00 -0.357 N +ATOM 10345 HZ1 LYS B 532 165.799 206.506 210.921 1.00 0.00 0.345 HD +ATOM 10346 HZ2 LYS B 532 165.365 207.145 212.146 1.00 0.00 0.345 HD +ATOM 10347 HZ3 LYS B 532 164.604 207.324 210.927 1.00 0.00 0.345 HD +ATOM 10348 H LYS B 532 164.964 213.285 214.068 1.00 0.00 0.164 HD +ATOM 10349 C GLY B 533 160.043 213.000 212.309 1.00 0.00 0.239 C +ATOM 10350 O GLY B 533 159.007 212.656 211.739 1.00 0.00 -0.273 OA +ATOM 10351 CA GLY B 533 160.642 212.154 213.417 1.00 0.00 0.216 C +ATOM 10352 N GLY B 533 162.087 212.266 213.491 1.00 0.00 -0.346 N +ATOM 10353 H GLY B 533 162.372 212.689 214.183 1.00 0.00 0.164 HD +ATOM 10354 C LEU B 534 160.619 214.536 209.556 1.00 0.00 0.243 C +ATOM 10355 O LEU B 534 159.764 214.335 208.694 1.00 0.00 -0.272 OA +ATOM 10356 CA LEU B 534 160.212 215.006 210.953 1.00 0.00 0.172 C +ATOM 10357 N LEU B 534 160.694 214.113 211.996 1.00 0.00 -0.345 N +ATOM 10358 CB LEU B 534 160.724 216.425 211.206 1.00 0.00 0.038 C +ATOM 10359 CG LEU B 534 160.197 217.052 212.501 1.00 0.00 -0.015 C +ATOM 10360 CD1 LEU B 534 160.985 218.298 212.859 1.00 0.00 0.007 C +ATOM 10361 CD2 LEU B 534 158.711 217.367 212.382 1.00 0.00 0.007 C +ATOM 10362 H LEU B 534 161.420 214.375 212.375 1.00 0.00 0.165 HD +ATOM 10363 C MET B 535 162.248 212.506 207.718 1.00 0.00 0.242 C +ATOM 10364 O MET B 535 162.241 212.087 206.563 1.00 0.00 -0.272 OA +ATOM 10365 CA MET B 535 162.408 213.999 208.004 1.00 0.00 0.172 C +ATOM 10366 N MET B 535 161.917 214.351 209.332 1.00 0.00 -0.344 N +ATOM 10367 CB MET B 535 163.874 214.411 207.841 1.00 0.00 0.046 C +ATOM 10368 CG MET B 535 164.129 215.912 207.958 1.00 0.00 0.072 C +ATOM 10369 SD MET B 535 163.039 216.955 206.959 1.00 0.00 -0.165 SA +ATOM 10370 CE MET B 535 163.403 216.375 205.305 1.00 0.00 0.085 C +ATOM 10371 H MET B 535 162.532 214.423 209.930 1.00 0.00 0.164 HD +ATOM 10372 C GLY B 536 160.501 209.907 208.228 1.00 0.00 0.239 C +ATOM 10373 O GLY B 536 160.173 208.728 208.108 1.00 0.00 -0.273 OA +ATOM 10374 CA GLY B 536 161.920 210.276 208.621 1.00 0.00 0.216 C +ATOM 10375 N GLY B 536 162.113 211.708 208.772 1.00 0.00 -0.346 N +ATOM 10376 H GLY B 536 162.129 211.975 209.589 1.00 0.00 0.164 HD +ATOM 10377 C ASN B 537 158.206 210.251 206.163 1.00 0.00 0.242 C +ATOM 10378 O ASN B 537 158.958 210.753 205.325 1.00 0.00 -0.273 OA +ATOM 10379 CA ASN B 537 158.275 210.682 207.624 1.00 0.00 0.180 C +ATOM 10380 N ASN B 537 159.655 210.912 208.031 1.00 0.00 -0.342 N +ATOM 10381 CB ASN B 537 157.442 211.943 207.848 1.00 0.00 0.134 C +ATOM 10382 CG ASN B 537 155.955 211.693 207.701 1.00 0.00 0.220 C +ATOM 10383 OD1 ASN B 537 155.449 211.518 206.595 1.00 0.00 -0.275 OA +ATOM 10384 ND2 ASN B 537 155.246 211.682 208.822 1.00 0.00 -0.368 N +ATOM 10385 HD22 ASN B 537 154.397 211.544 208.792 1.00 0.00 0.159 HD +ATOM 10386 HD21 ASN B 537 155.634 211.812 209.578 1.00 0.00 0.159 HD +ATOM 10387 H ASN B 537 159.858 211.742 208.128 1.00 0.00 0.164 HD +ATOM 10388 C VAL B 538 157.003 209.761 203.412 1.00 0.00 0.243 C +ATOM 10389 O VAL B 538 157.472 209.548 202.297 1.00 0.00 -0.272 OA +ATOM 10390 CA VAL B 538 157.200 208.732 204.531 1.00 0.00 0.173 C +ATOM 10391 N VAL B 538 157.301 209.325 205.864 1.00 0.00 -0.343 N +ATOM 10392 CB VAL B 538 156.037 207.694 204.469 1.00 0.00 0.015 C +ATOM 10393 CG1 VAL B 538 154.726 208.314 204.907 1.00 0.00 0.010 C +ATOM 10394 CG2 VAL B 538 155.905 207.094 203.071 1.00 0.00 0.010 C +ATOM 10395 H VAL B 538 156.726 209.017 206.424 1.00 0.00 0.164 HD +ATOM 10396 C ILE B 539 157.342 212.546 202.210 1.00 0.00 0.243 C +ATOM 10397 O ILE B 539 157.391 213.165 201.146 1.00 0.00 -0.272 OA +ATOM 10398 CA ILE B 539 156.054 211.845 202.642 1.00 0.00 0.174 C +ATOM 10399 N ILE B 539 156.320 210.869 203.693 1.00 0.00 -0.343 N +ATOM 10400 CB ILE B 539 155.004 212.909 203.061 1.00 0.00 0.018 C +ATOM 10401 CG2 ILE B 539 153.710 212.237 203.518 1.00 0.00 0.010 C +ATOM 10402 CG1 ILE B 539 155.536 213.845 204.156 1.00 0.00 0.002 C +ATOM 10403 CD1 ILE B 539 154.802 215.163 204.214 1.00 0.00 0.004 C +ATOM 10404 H ILE B 539 156.007 211.075 204.467 1.00 0.00 0.164 HD +ATOM 10405 C CYS B 540 160.515 212.094 201.844 1.00 0.00 0.243 C +ATOM 10406 O CYS B 540 161.581 212.484 201.367 1.00 0.00 -0.272 OA +ATOM 10407 CA CYS B 540 159.680 213.027 202.710 1.00 0.00 0.181 C +ATOM 10408 N CYS B 540 158.382 212.443 203.033 1.00 0.00 -0.342 N +ATOM 10409 CB CYS B 540 160.457 213.365 203.983 1.00 0.00 0.101 C +ATOM 10410 SG CYS B 540 159.650 214.557 205.050 1.00 0.00 -0.177 SA +ATOM 10411 HG CYS B 540 160.339 214.750 206.012 1.00 0.00 0.102 HD +ATOM 10412 H CYS B 540 158.361 212.036 203.790 1.00 0.00 0.164 HD +ATOM 10413 C SER B 541 160.548 210.261 199.340 1.00 0.00 0.244 C +ATOM 10414 O SER B 541 159.501 210.796 198.980 1.00 0.00 -0.272 OA +ATOM 10415 CA SER B 541 160.765 209.910 200.816 1.00 0.00 0.197 C +ATOM 10416 N SER B 541 160.043 210.865 201.649 1.00 0.00 -0.342 N +ATOM 10417 CB SER B 541 160.313 208.475 201.106 1.00 0.00 0.191 C +ATOM 10418 OG SER B 541 159.031 208.207 200.566 1.00 0.00 -0.392 OA +ATOM 10419 HG SER B 541 158.464 208.730 200.899 1.00 0.00 0.210 HD +ATOM 10420 H SER B 541 159.312 210.562 201.986 1.00 0.00 0.164 HD +ATOM 10421 C PRO B 542 160.254 209.852 196.313 1.00 0.00 0.243 C +ATOM 10422 O PRO B 542 159.765 210.557 195.431 1.00 0.00 -0.271 OA +ATOM 10423 CA PRO B 542 161.483 210.359 197.067 1.00 0.00 0.175 C +ATOM 10424 N PRO B 542 161.544 209.972 198.484 1.00 0.00 -0.329 N +ATOM 10425 CB PRO B 542 162.767 209.750 196.476 1.00 0.00 0.037 C +ATOM 10426 CG PRO B 542 163.366 208.896 197.548 1.00 0.00 0.024 C +ATOM 10427 CD PRO B 542 162.860 209.419 198.840 1.00 0.00 0.121 C +ATOM 10428 C ALA B 543 157.326 208.924 196.262 1.00 0.00 0.243 C +ATOM 10429 O ALA B 543 156.384 208.941 195.471 1.00 0.00 -0.272 OA +ATOM 10430 CA ALA B 543 158.591 208.130 195.939 1.00 0.00 0.168 C +ATOM 10431 N ALA B 543 159.754 208.666 196.642 1.00 0.00 -0.344 N +ATOM 10432 CB ALA B 543 158.392 206.668 196.276 1.00 0.00 0.041 C +ATOM 10433 H ALA B 543 160.064 208.156 197.261 1.00 0.00 0.164 HD +ATOM 10434 C TYR B 544 156.244 211.853 197.575 1.00 0.00 0.243 C +ATOM 10435 O TYR B 544 155.234 212.498 197.292 1.00 0.00 -0.272 OA +ATOM 10436 CA TYR B 544 156.150 210.352 197.864 1.00 0.00 0.175 C +ATOM 10437 N TYR B 544 157.314 209.587 197.417 1.00 0.00 -0.343 N +ATOM 10438 CB TYR B 544 155.941 210.152 199.364 1.00 0.00 0.070 C +ATOM 10439 CG TYR B 544 155.159 208.911 199.732 1.00 0.00 -0.045 A +ATOM 10440 CD1 TYR B 544 155.718 207.648 199.607 1.00 0.00 0.007 A +ATOM 10441 CD2 TYR B 544 153.862 209.007 200.223 1.00 0.00 0.007 A +ATOM 10442 CE1 TYR B 544 155.009 206.518 199.950 1.00 0.00 0.046 A +ATOM 10443 CE2 TYR B 544 153.147 207.883 200.567 1.00 0.00 0.046 A +ATOM 10444 CZ TYR B 544 153.723 206.641 200.431 1.00 0.00 0.115 A +ATOM 10445 OH TYR B 544 153.013 205.515 200.775 1.00 0.00 -0.507 OA +ATOM 10446 HH TYR B 544 153.479 204.829 200.642 1.00 0.00 0.294 HD +ATOM 10447 H TYR B 544 157.976 209.609 197.966 1.00 0.00 0.164 HD +ATOM 10448 C TRP B 545 157.520 214.381 196.157 1.00 0.00 0.242 C +ATOM 10449 O TRP B 545 158.531 214.623 195.498 1.00 0.00 -0.272 OA +ATOM 10450 CA TRP B 545 157.611 213.863 197.587 1.00 0.00 0.175 C +ATOM 10451 N TRP B 545 157.447 212.412 197.655 1.00 0.00 -0.343 N +ATOM 10452 CB TRP B 545 158.944 214.278 198.211 1.00 0.00 0.072 C +ATOM 10453 CG TRP B 545 159.085 215.760 198.389 1.00 0.00 -0.020 A +ATOM 10454 CD1 TRP B 545 159.956 216.584 197.740 1.00 0.00 0.087 A +ATOM 10455 CD2 TRP B 545 158.328 216.594 199.273 1.00 0.00 0.003 A +ATOM 10456 NE1 TRP B 545 159.792 217.877 198.168 1.00 0.00 -0.359 N +ATOM 10457 CE2 TRP B 545 158.798 217.911 199.110 1.00 0.00 0.046 A +ATOM 10458 CE3 TRP B 545 157.299 216.355 200.190 1.00 0.00 0.010 A +ATOM 10459 HE1 TRP B 545 160.240 218.556 197.889 1.00 0.00 0.166 HD +ATOM 10460 CZ2 TRP B 545 158.276 218.985 199.827 1.00 0.00 0.026 A +ATOM 10461 CZ3 TRP B 545 156.783 217.420 200.902 1.00 0.00 0.001 A +ATOM 10462 CH2 TRP B 545 157.272 218.719 200.717 1.00 0.00 0.002 A +ATOM 10463 H TRP B 545 158.183 211.976 197.749 1.00 0.00 0.164 HD +ATOM 10464 C LYS B 546 154.592 215.524 194.249 1.00 0.00 0.242 C +ATOM 10465 O LYS B 546 153.741 215.051 195.000 1.00 0.00 -0.273 OA +ATOM 10466 CA LYS B 546 156.040 215.051 194.346 1.00 0.00 0.171 C +ATOM 10467 N LYS B 546 156.291 214.565 195.693 1.00 0.00 -0.344 N +ATOM 10468 CB LYS B 546 156.331 213.958 193.318 1.00 0.00 0.035 C +ATOM 10469 CG LYS B 546 155.557 212.674 193.550 1.00 0.00 0.008 C +ATOM 10470 CD LYS B 546 155.932 211.583 192.554 1.00 0.00 0.061 C +ATOM 10471 CE LYS B 546 157.367 211.123 192.727 1.00 0.00 0.258 C +ATOM 10472 NZ LYS B 546 157.654 209.911 191.914 1.00 0.00 -0.357 N +ATOM 10473 HZ1 LYS B 546 158.499 209.659 192.031 1.00 0.00 0.345 HD +ATOM 10474 HZ2 LYS B 546 157.117 209.245 192.162 1.00 0.00 0.345 HD +ATOM 10475 HZ3 LYS B 546 157.520 210.084 191.052 1.00 0.00 0.345 HD +ATOM 10476 H LYS B 546 155.576 214.413 196.146 1.00 0.00 0.164 HD +ATOM 10477 C PRO B 547 151.811 216.102 193.191 1.00 0.00 0.243 C +ATOM 10478 O PRO B 547 150.806 216.358 193.850 1.00 0.00 -0.271 OA +ATOM 10479 CA PRO B 547 152.980 217.085 193.218 1.00 0.00 0.175 C +ATOM 10480 N PRO B 547 154.309 216.470 193.336 1.00 0.00 -0.329 N +ATOM 10481 CB PRO B 547 153.058 217.848 191.883 1.00 0.00 0.037 C +ATOM 10482 CG PRO B 547 154.455 217.658 191.360 1.00 0.00 0.024 C +ATOM 10483 CD PRO B 547 155.290 217.142 192.471 1.00 0.00 0.121 C +ATOM 10484 C SER B 548 150.349 213.467 193.568 1.00 0.00 0.244 C +ATOM 10485 O SER B 548 149.186 213.091 193.698 1.00 0.00 -0.272 OA +ATOM 10486 CA SER B 548 150.826 214.076 192.257 1.00 0.00 0.197 C +ATOM 10487 N SER B 548 151.939 215.005 192.449 1.00 0.00 -0.342 N +ATOM 10488 CB SER B 548 151.221 212.960 191.287 1.00 0.00 0.191 C +ATOM 10489 OG SER B 548 152.411 212.315 191.699 1.00 0.00 -0.392 OA +ATOM 10490 HG SER B 548 153.041 212.869 191.732 1.00 0.00 0.210 HD +ATOM 10491 H SER B 548 152.662 214.774 192.045 1.00 0.00 0.164 HD +ATOM 10492 C THR B 549 149.890 213.684 196.559 1.00 0.00 0.245 C +ATOM 10493 O THR B 549 149.067 213.176 197.321 1.00 0.00 -0.273 OA +ATOM 10494 CA THR B 549 150.927 212.822 195.845 1.00 0.00 0.199 C +ATOM 10495 N THR B 549 151.254 213.371 194.535 1.00 0.00 -0.341 N +ATOM 10496 CB THR B 549 152.193 212.701 196.724 1.00 0.00 0.143 C +ATOM 10497 CG2 THR B 549 151.853 212.250 198.139 1.00 0.00 0.041 C +ATOM 10498 OG1 THR B 549 153.090 211.754 196.136 1.00 0.00 -0.389 OA +ATOM 10499 HG1 THR B 549 153.781 211.682 196.608 1.00 0.00 0.211 HD +ATOM 10500 H THR B 549 152.073 213.621 194.456 1.00 0.00 0.164 HD +ATOM 10501 C PHE B 550 148.040 216.587 196.133 1.00 0.00 0.243 C +ATOM 10502 O PHE B 550 147.544 217.669 196.436 1.00 0.00 -0.272 OA +ATOM 10503 CA PHE B 550 149.105 215.948 197.018 1.00 0.00 0.175 C +ATOM 10504 N PHE B 550 149.928 214.986 196.294 1.00 0.00 -0.343 N +ATOM 10505 CB PHE B 550 149.995 217.027 197.628 1.00 0.00 0.070 C +ATOM 10506 CG PHE B 550 151.160 216.478 198.397 1.00 0.00 -0.045 A +ATOM 10507 CD1 PHE B 550 150.998 216.017 199.692 1.00 0.00 0.004 A +ATOM 10508 CD2 PHE B 550 152.418 216.415 197.821 1.00 0.00 0.004 A +ATOM 10509 CE1 PHE B 550 152.069 215.508 200.398 1.00 0.00 0.000 A +ATOM 10510 CE2 PHE B 550 153.490 215.909 198.524 1.00 0.00 0.000 A +ATOM 10511 CZ PHE B 550 153.315 215.455 199.812 1.00 0.00 0.000 A +ATOM 10512 H PHE B 550 150.429 215.341 195.692 1.00 0.00 0.164 HD +ATOM 10513 C GLY B 551 147.001 217.414 193.178 1.00 0.00 0.239 C +ATOM 10514 O GLY B 551 146.141 218.078 192.604 1.00 0.00 -0.273 OA +ATOM 10515 CA GLY B 551 146.601 216.360 194.192 1.00 0.00 0.216 C +ATOM 10516 N GLY B 551 147.690 215.916 195.042 1.00 0.00 -0.346 N +ATOM 10517 H GLY B 551 148.073 215.194 194.773 1.00 0.00 0.164 HD +ATOM 10518 C GLY B 552 149.620 219.631 192.609 1.00 0.00 0.239 C +ATOM 10519 O GLY B 552 149.916 219.608 193.801 1.00 0.00 -0.273 OA +ATOM 10520 CA GLY B 552 148.817 218.510 191.980 1.00 0.00 0.216 C +ATOM 10521 N GLY B 552 148.304 217.564 192.957 1.00 0.00 -0.346 N +ATOM 10522 H GLY B 552 148.916 217.123 193.368 1.00 0.00 0.164 HD +ATOM 10523 C GLU B 553 150.157 222.600 193.284 1.00 0.00 0.242 C +ATOM 10524 O GLU B 553 150.831 223.132 194.165 1.00 0.00 -0.273 OA +ATOM 10525 CA GLU B 553 150.822 221.718 192.235 1.00 0.00 0.171 C +ATOM 10526 N GLU B 553 149.968 220.621 191.796 1.00 0.00 -0.344 N +ATOM 10527 CB GLU B 553 151.236 222.577 191.037 1.00 0.00 0.041 C +ATOM 10528 CG GLU B 553 152.205 221.898 190.085 1.00 0.00 0.055 C +ATOM 10529 CD GLU B 553 153.541 221.573 190.729 1.00 0.00 0.041 C +ATOM 10530 OE1 GLU B 553 153.812 222.067 191.846 1.00 0.00 -0.548 OA +ATOM 10531 OE2 GLU B 553 154.323 220.822 190.111 1.00 0.00 -0.549 OA +ATOM 10532 H GLU B 553 149.719 220.681 190.975 1.00 0.00 0.164 HD +ATOM 10533 C VAL B 554 148.220 223.015 195.539 1.00 0.00 0.243 C +ATOM 10534 O VAL B 554 148.481 223.748 196.491 1.00 0.00 -0.272 OA +ATOM 10535 CA VAL B 554 148.103 223.587 194.129 1.00 0.00 0.173 C +ATOM 10536 N VAL B 554 148.843 222.766 193.181 1.00 0.00 -0.343 N +ATOM 10537 CB VAL B 554 146.617 223.702 193.733 1.00 0.00 0.015 C +ATOM 10538 CG1 VAL B 554 145.815 224.441 194.805 1.00 0.00 0.010 C +ATOM 10539 CG2 VAL B 554 146.491 224.415 192.399 1.00 0.00 0.010 C +ATOM 10540 H VAL B 554 148.355 222.411 192.568 1.00 0.00 0.164 HD +ATOM 10541 C GLY B 555 149.556 221.020 197.453 1.00 0.00 0.239 C +ATOM 10542 O GLY B 555 149.817 221.239 198.635 1.00 0.00 -0.273 OA +ATOM 10543 CA GLY B 555 148.127 221.045 196.953 1.00 0.00 0.216 C +ATOM 10544 N GLY B 555 148.025 221.707 195.666 1.00 0.00 -0.346 N +ATOM 10545 H GLY B 555 147.831 221.180 195.015 1.00 0.00 0.164 HD +ATOM 10546 C PHE B 556 152.376 222.042 197.417 1.00 0.00 0.243 C +ATOM 10547 O PHE B 556 153.286 222.106 198.243 1.00 0.00 -0.272 OA +ATOM 10548 CA PHE B 556 151.902 220.698 196.876 1.00 0.00 0.175 C +ATOM 10549 N PHE B 556 150.485 220.751 196.542 1.00 0.00 -0.343 N +ATOM 10550 CB PHE B 556 152.717 220.303 195.639 1.00 0.00 0.070 C +ATOM 10551 CG PHE B 556 154.099 219.776 195.939 1.00 0.00 -0.045 A +ATOM 10552 CD1 PHE B 556 154.367 219.075 197.104 1.00 0.00 0.004 A +ATOM 10553 CD2 PHE B 556 155.131 219.976 195.037 1.00 0.00 0.004 A +ATOM 10554 CE1 PHE B 556 155.639 218.589 197.364 1.00 0.00 0.000 A +ATOM 10555 CE2 PHE B 556 156.404 219.495 195.291 1.00 0.00 0.000 A +ATOM 10556 CZ PHE B 556 156.657 218.799 196.455 1.00 0.00 0.000 A +ATOM 10557 H PHE B 556 150.317 220.595 195.713 1.00 0.00 0.164 HD +ATOM 10558 C GLN B 557 151.600 224.842 198.698 1.00 0.00 0.242 C +ATOM 10559 O GLN B 557 152.213 225.638 199.407 1.00 0.00 -0.273 OA +ATOM 10560 CA GLN B 557 152.136 224.466 197.320 1.00 0.00 0.171 C +ATOM 10561 N GLN B 557 151.748 223.113 196.945 1.00 0.00 -0.343 N +ATOM 10562 CB GLN B 557 151.650 225.463 196.263 1.00 0.00 0.045 C +ATOM 10563 CG GLN B 557 151.831 226.930 196.637 1.00 0.00 0.102 C +ATOM 10564 CD GLN B 557 152.489 227.735 195.539 1.00 0.00 0.217 C +ATOM 10565 OE1 GLN B 557 151.817 228.370 194.724 1.00 0.00 -0.275 OA +ATOM 10566 NE2 GLN B 557 153.818 227.718 195.515 1.00 0.00 -0.368 N +ATOM 10567 HE22 GLN B 557 154.253 227.266 196.103 1.00 0.00 0.159 HD +ATOM 10568 HE21 GLN B 557 154.242 228.159 194.911 1.00 0.00 0.159 HD +ATOM 10569 H GLN B 557 151.085 223.081 196.399 1.00 0.00 0.164 HD +ATOM 10570 C ILE B 558 150.938 224.065 201.472 1.00 0.00 0.243 C +ATOM 10571 O ILE B 558 151.076 224.711 202.511 1.00 0.00 -0.272 OA +ATOM 10572 CA ILE B 558 149.923 224.501 200.416 1.00 0.00 0.174 C +ATOM 10573 N ILE B 558 150.466 224.267 199.083 1.00 0.00 -0.343 N +ATOM 10574 CB ILE B 558 148.585 223.759 200.630 1.00 0.00 0.018 C +ATOM 10575 CG2 ILE B 558 148.164 223.814 202.103 1.00 0.00 0.010 C +ATOM 10576 CG1 ILE B 558 147.499 224.379 199.740 1.00 0.00 0.002 C +ATOM 10577 CD1 ILE B 558 146.123 223.743 199.867 1.00 0.00 0.004 C +ATOM 10578 H ILE B 558 149.994 223.739 198.594 1.00 0.00 0.164 HD +ATOM 10579 C ILE B 559 153.860 223.460 202.134 1.00 0.00 0.243 C +ATOM 10580 O ILE B 559 154.302 223.891 203.196 1.00 0.00 -0.272 OA +ATOM 10581 CA ILE B 559 152.685 222.494 202.106 1.00 0.00 0.174 C +ATOM 10582 N ILE B 559 151.649 222.975 201.199 1.00 0.00 -0.343 N +ATOM 10583 CB ILE B 559 153.204 221.093 201.695 1.00 0.00 0.018 C +ATOM 10584 CG2 ILE B 559 154.466 220.722 202.489 1.00 0.00 0.010 C +ATOM 10585 CG1 ILE B 559 152.124 220.033 201.911 1.00 0.00 0.002 C +ATOM 10586 CD1 ILE B 559 152.463 218.685 201.312 1.00 0.00 0.004 C +ATOM 10587 H ILE B 559 151.550 222.495 200.493 1.00 0.00 0.164 HD +ATOM 10588 C ASN B 560 155.543 225.991 201.118 1.00 0.00 0.242 C +ATOM 10589 O ASN B 560 156.566 226.665 201.175 1.00 0.00 -0.273 OA +ATOM 10590 CA ASN B 560 155.627 224.495 200.831 1.00 0.00 0.180 C +ATOM 10591 N ASN B 560 154.359 223.793 200.954 1.00 0.00 -0.342 N +ATOM 10592 CB ASN B 560 156.196 224.262 199.433 1.00 0.00 0.134 C +ATOM 10593 CG ASN B 560 156.708 222.845 199.249 1.00 0.00 0.220 C +ATOM 10594 OD1 ASN B 560 157.414 222.314 200.107 1.00 0.00 -0.275 OA +ATOM 10595 ND2 ASN B 560 156.342 222.218 198.135 1.00 0.00 -0.368 N +ATOM 10596 HD22 ASN B 560 156.607 221.414 197.987 1.00 0.00 0.159 HD +ATOM 10597 HD21 ASN B 560 155.840 222.618 197.562 1.00 0.00 0.159 HD +ATOM 10598 H ASN B 560 153.980 223.621 200.201 1.00 0.00 0.164 HD +ATOM 10599 C THR B 561 153.458 228.041 203.016 1.00 0.00 0.245 C +ATOM 10600 O THR B 561 152.989 229.119 203.382 1.00 0.00 -0.273 OA +ATOM 10601 CA THR B 561 154.133 227.908 201.655 1.00 0.00 0.199 C +ATOM 10602 N THR B 561 154.330 226.503 201.306 1.00 0.00 -0.341 N +ATOM 10603 CB THR B 561 153.283 228.645 200.600 1.00 0.00 0.143 C +ATOM 10604 CG2 THR B 561 153.894 228.485 199.217 1.00 0.00 0.041 C +ATOM 10605 OG1 THR B 561 151.947 228.122 200.602 1.00 0.00 -0.389 OA +ATOM 10606 HG1 THR B 561 151.959 227.302 200.421 1.00 0.00 0.211 HD +ATOM 10607 H THR B 561 153.599 226.055 201.237 1.00 0.00 0.164 HD +ATOM 10608 C ALA B 562 153.619 227.592 206.134 1.00 0.00 0.243 C +ATOM 10609 O ALA B 562 154.840 227.453 206.145 1.00 0.00 -0.272 OA +ATOM 10610 CA ALA B 562 152.758 226.934 205.064 1.00 0.00 0.168 C +ATOM 10611 N ALA B 562 153.417 226.945 203.766 1.00 0.00 -0.344 N +ATOM 10612 CB ALA B 562 152.418 225.510 205.473 1.00 0.00 0.041 C +ATOM 10613 H ALA B 562 153.766 226.192 203.543 1.00 0.00 0.164 HD +ATOM 10614 C SER B 563 152.576 228.931 209.318 1.00 0.00 0.244 C +ATOM 10615 O SER B 563 151.387 228.735 209.071 1.00 0.00 -0.272 OA +ATOM 10616 CA SER B 563 153.604 228.889 208.201 1.00 0.00 0.197 C +ATOM 10617 N SER B 563 152.960 228.317 207.028 1.00 0.00 -0.342 N +ATOM 10618 CB SER B 563 154.153 230.286 207.909 1.00 0.00 0.191 C +ATOM 10619 OG SER B 563 153.108 231.197 207.614 1.00 0.00 -0.392 OA +ATOM 10620 HG SER B 563 153.427 231.958 207.457 1.00 0.00 0.210 HD +ATOM 10621 H SER B 563 152.120 228.496 206.975 1.00 0.00 0.164 HD +ATOM 10622 C ILE B 564 151.167 230.468 211.462 1.00 0.00 0.243 C +ATOM 10623 O ILE B 564 150.013 230.443 211.883 1.00 0.00 -0.272 OA +ATOM 10624 CA ILE B 564 152.091 229.265 211.658 1.00 0.00 0.174 C +ATOM 10625 N ILE B 564 153.021 229.175 210.544 1.00 0.00 -0.343 N +ATOM 10626 CB ILE B 564 152.825 229.373 213.016 1.00 0.00 0.018 C +ATOM 10627 CG2 ILE B 564 153.668 230.644 213.087 1.00 0.00 0.010 C +ATOM 10628 CG1 ILE B 564 151.831 229.317 214.180 1.00 0.00 0.002 C +ATOM 10629 CD1 ILE B 564 151.115 227.991 214.318 1.00 0.00 0.004 C +ATOM 10630 H ILE B 564 153.847 229.289 210.756 1.00 0.00 0.164 HD +ATOM 10631 C GLN B 565 149.782 232.447 209.525 1.00 0.00 0.242 C +ATOM 10632 O GLN B 565 148.641 232.862 209.713 1.00 0.00 -0.273 OA +ATOM 10633 CA GLN B 565 150.878 232.709 210.555 1.00 0.00 0.171 C +ATOM 10634 N GLN B 565 151.673 231.511 210.810 1.00 0.00 -0.343 N +ATOM 10635 CB GLN B 565 151.774 233.859 210.085 1.00 0.00 0.045 C +ATOM 10636 CG GLN B 565 151.024 235.109 209.624 1.00 0.00 0.102 C +ATOM 10637 CD GLN B 565 150.184 235.744 210.720 1.00 0.00 0.217 C +ATOM 10638 OE1 GLN B 565 150.656 236.614 211.452 1.00 0.00 -0.275 OA +ATOM 10639 NE2 GLN B 565 148.929 235.321 210.828 1.00 0.00 -0.368 N +ATOM 10640 HE22 GLN B 565 148.631 234.717 210.294 1.00 0.00 0.159 HD +ATOM 10641 HE21 GLN B 565 148.415 235.651 211.434 1.00 0.00 0.159 HD +ATOM 10642 H GLN B 565 152.476 231.550 210.504 1.00 0.00 0.164 HD +ATOM 10643 C SER B 566 148.131 230.449 207.837 1.00 0.00 0.244 C +ATOM 10644 O SER B 566 147.001 230.447 207.355 1.00 0.00 -0.272 OA +ATOM 10645 CA SER B 566 149.162 231.481 207.382 1.00 0.00 0.197 C +ATOM 10646 N SER B 566 150.127 231.761 208.440 1.00 0.00 -0.342 N +ATOM 10647 CB SER B 566 149.867 230.991 206.116 1.00 0.00 0.191 C +ATOM 10648 OG SER B 566 150.243 229.632 206.231 1.00 0.00 -0.392 OA +ATOM 10649 HG SER B 566 150.628 229.380 205.529 1.00 0.00 0.210 HD +ATOM 10650 H SER B 566 150.914 231.447 208.291 1.00 0.00 0.164 HD +ATOM 10651 C LEU B 567 146.500 229.333 210.080 1.00 0.00 0.243 C +ATOM 10652 O LEU B 567 145.317 229.032 209.924 1.00 0.00 -0.272 OA +ATOM 10653 CA LEU B 567 147.602 228.601 209.333 1.00 0.00 0.172 C +ATOM 10654 N LEU B 567 148.527 229.571 208.753 1.00 0.00 -0.345 N +ATOM 10655 CB LEU B 567 148.332 227.644 210.279 1.00 0.00 0.038 C +ATOM 10656 CG LEU B 567 147.460 226.622 211.017 1.00 0.00 -0.015 C +ATOM 10657 CD1 LEU B 567 146.908 225.571 210.062 1.00 0.00 0.007 C +ATOM 10658 CD2 LEU B 567 148.240 225.964 212.142 1.00 0.00 0.007 C +ATOM 10659 H LEU B 567 149.330 229.516 209.057 1.00 0.00 0.165 HD +ATOM 10660 C ILE B 568 145.187 232.014 210.711 1.00 0.00 0.243 C +ATOM 10661 O ILE B 568 143.974 232.163 210.839 1.00 0.00 -0.272 OA +ATOM 10662 CA ILE B 568 145.966 231.107 211.656 1.00 0.00 0.174 C +ATOM 10663 N ILE B 568 146.906 230.296 210.899 1.00 0.00 -0.343 N +ATOM 10664 CB ILE B 568 146.703 231.937 212.737 1.00 0.00 0.018 C +ATOM 10665 CG2 ILE B 568 146.016 233.282 212.992 1.00 0.00 0.010 C +ATOM 10666 CG1 ILE B 568 146.760 231.150 214.049 1.00 0.00 0.002 C +ATOM 10667 CD1 ILE B 568 147.407 229.780 213.932 1.00 0.00 0.004 C +ATOM 10668 H ILE B 568 147.730 230.500 211.033 1.00 0.00 0.164 HD +ATOM 10669 CB CYS B 569 146.347 234.134 207.895 1.00 0.00 0.116 C +ATOM 10670 SG CYS B 569 145.778 235.553 206.944 1.00 0.00 -0.092 SA +ATOM 10671 CA CYS B 569 145.286 233.556 208.830 1.00 0.00 0.183 C +ATOM 10672 C CYS B 569 144.161 232.932 208.008 1.00 0.00 0.244 C +ATOM 10673 N CYS B 569 145.890 232.599 209.749 1.00 0.00 -0.343 N +ATOM 10674 O CYS B 569 143.130 233.562 207.773 1.00 0.00 -0.272 OA +ATOM 10675 H CYS B 569 146.726 232.458 209.605 1.00 0.00 0.164 HD +ATOM 10676 C ASN B 570 142.173 230.485 207.489 1.00 0.00 0.242 C +ATOM 10677 O ASN B 570 141.107 230.300 206.904 1.00 0.00 -0.273 OA +ATOM 10678 CA ASN B 570 143.385 231.015 206.727 1.00 0.00 0.180 C +ATOM 10679 N ASN B 570 144.359 231.691 207.576 1.00 0.00 -0.342 N +ATOM 10680 CB ASN B 570 144.047 229.856 205.979 1.00 0.00 0.134 C +ATOM 10681 CG ASN B 570 144.940 230.319 204.844 1.00 0.00 0.220 C +ATOM 10682 OD1 ASN B 570 144.743 231.395 204.284 1.00 0.00 -0.275 OA +ATOM 10683 ND2 ASN B 570 145.925 229.500 204.494 1.00 0.00 -0.368 N +ATOM 10684 HD22 ASN B 570 146.459 229.718 203.856 1.00 0.00 0.159 HD +ATOM 10685 HD21 ASN B 570 146.029 228.752 204.905 1.00 0.00 0.159 HD +ATOM 10686 H ASN B 570 145.053 231.217 207.761 1.00 0.00 0.164 HD +ATOM 10687 C ASN B 571 140.791 230.301 210.790 1.00 0.00 0.242 C +ATOM 10688 O ASN B 571 139.858 229.838 211.445 1.00 0.00 -0.273 OA +ATOM 10689 CA ASN B 571 141.312 229.548 209.567 1.00 0.00 0.180 C +ATOM 10690 N ASN B 571 142.331 230.251 208.789 1.00 0.00 -0.342 N +ATOM 10691 CB ASN B 571 141.859 228.195 210.016 1.00 0.00 0.134 C +ATOM 10692 CG ASN B 571 142.243 227.312 208.849 1.00 0.00 0.220 C +ATOM 10693 OD1 ASN B 571 141.381 226.796 208.138 1.00 0.00 -0.275 OA +ATOM 10694 ND2 ASN B 571 143.542 227.134 208.643 1.00 0.00 -0.368 N +ATOM 10695 HD22 ASN B 571 143.811 226.641 207.992 1.00 0.00 0.159 HD +ATOM 10696 HD21 ASN B 571 144.115 227.513 209.161 1.00 0.00 0.159 HD +ATOM 10697 H ASN B 571 143.021 230.488 209.245 1.00 0.00 0.164 HD +ATOM 10698 C VAL B 572 140.318 233.555 211.770 1.00 0.00 0.243 C +ATOM 10699 O VAL B 572 140.858 234.249 210.908 1.00 0.00 -0.272 OA +ATOM 10700 CA VAL B 572 140.946 232.246 212.242 1.00 0.00 0.173 C +ATOM 10701 N VAL B 572 141.383 231.450 211.098 1.00 0.00 -0.343 N +ATOM 10702 CB VAL B 572 142.110 232.538 213.211 1.00 0.00 0.015 C +ATOM 10703 CG1 VAL B 572 141.623 233.324 214.416 1.00 0.00 0.010 C +ATOM 10704 CG2 VAL B 572 142.753 231.234 213.663 1.00 0.00 0.010 C +ATOM 10705 H VAL B 572 142.040 231.792 210.661 1.00 0.00 0.164 HD +ATOM 10706 C LYS B 573 139.220 236.325 212.237 1.00 0.00 0.242 C +ATOM 10707 O LYS B 573 139.763 236.521 213.324 1.00 0.00 -0.273 OA +ATOM 10708 CA LYS B 573 138.400 235.061 211.995 1.00 0.00 0.171 C +ATOM 10709 N LYS B 573 139.163 233.868 212.344 1.00 0.00 -0.344 N +ATOM 10710 CB LYS B 573 137.105 235.094 212.813 1.00 0.00 0.035 C +ATOM 10711 CG LYS B 573 136.075 236.119 212.386 1.00 0.00 0.008 C +ATOM 10712 CD LYS B 573 134.949 236.159 213.413 1.00 0.00 0.061 C +ATOM 10713 CE LYS B 573 133.848 237.131 213.036 1.00 0.00 0.258 C +ATOM 10714 NZ LYS B 573 132.824 237.225 214.116 1.00 0.00 -0.357 N +ATOM 10715 HZ1 LYS B 573 132.185 237.798 213.881 1.00 0.00 0.345 HD +ATOM 10716 HZ2 LYS B 573 132.457 236.426 214.258 1.00 0.00 0.345 HD +ATOM 10717 HZ3 LYS B 573 133.202 237.507 214.871 1.00 0.00 0.345 HD +ATOM 10718 H LYS B 573 138.790 233.392 212.955 1.00 0.00 0.164 HD +ATOM 10719 C GLY B 574 141.482 238.349 210.877 1.00 0.00 0.239 C +ATOM 10720 O GLY B 574 142.108 239.377 210.623 1.00 0.00 -0.273 OA +ATOM 10721 CA GLY B 574 140.031 238.429 211.317 1.00 0.00 0.216 C +ATOM 10722 N GLY B 574 139.315 237.169 211.213 1.00 0.00 -0.346 N +ATOM 10723 H GLY B 574 138.968 237.030 210.439 1.00 0.00 0.164 HD +ATOM 10724 CB CYS B 575 143.621 237.337 208.938 1.00 0.00 0.116 C +ATOM 10725 SG CYS B 575 145.278 237.010 208.272 1.00 0.00 -0.092 SA +ATOM 10726 CA CYS B 575 143.403 236.909 210.394 1.00 0.00 0.183 C +ATOM 10727 C CYS B 575 144.361 237.660 211.316 1.00 0.00 0.244 C +ATOM 10728 N CYS B 575 142.013 237.132 210.790 1.00 0.00 -0.343 N +ATOM 10729 O CYS B 575 145.163 238.472 210.858 1.00 0.00 -0.272 OA +ATOM 10730 H CYS B 575 141.582 236.407 210.957 1.00 0.00 0.164 HD +ATOM 10731 C PRO B 576 146.606 237.822 213.376 1.00 0.00 0.243 C +ATOM 10732 O PRO B 576 146.956 236.766 212.850 1.00 0.00 -0.271 OA +ATOM 10733 CA PRO B 576 145.127 238.113 213.580 1.00 0.00 0.175 C +ATOM 10734 N PRO B 576 144.282 237.389 212.627 1.00 0.00 -0.329 N +ATOM 10735 CB PRO B 576 144.654 237.586 214.937 1.00 0.00 0.037 C +ATOM 10736 CG PRO B 576 144.129 236.231 214.644 1.00 0.00 0.024 C +ATOM 10737 CD PRO B 576 143.498 236.331 213.284 1.00 0.00 0.121 C +ATOM 10738 C PHE B 577 149.164 237.396 214.822 1.00 0.00 0.243 C +ATOM 10739 O PHE B 577 148.570 237.388 215.900 1.00 0.00 -0.272 OA +ATOM 10740 CA PHE B 577 148.889 238.486 213.800 1.00 0.00 0.175 C +ATOM 10741 N PHE B 577 147.462 238.753 213.777 1.00 0.00 -0.343 N +ATOM 10742 CB PHE B 577 149.690 239.743 214.145 1.00 0.00 0.070 C +ATOM 10743 CG PHE B 577 151.109 239.455 214.549 1.00 0.00 -0.045 A +ATOM 10744 CD1 PHE B 577 151.438 239.251 215.880 1.00 0.00 0.004 A +ATOM 10745 CD2 PHE B 577 152.111 239.377 213.599 1.00 0.00 0.004 A +ATOM 10746 CE1 PHE B 577 152.738 238.978 216.253 1.00 0.00 0.000 A +ATOM 10747 CE2 PHE B 577 153.413 239.107 213.968 1.00 0.00 0.000 A +ATOM 10748 CZ PHE B 577 153.726 238.906 215.297 1.00 0.00 0.000 A +ATOM 10749 H PHE B 577 147.242 239.542 214.039 1.00 0.00 0.164 HD +ATOM 10750 C THR B 578 151.974 235.147 215.227 1.00 0.00 0.245 C +ATOM 10751 O THR B 578 152.552 235.461 214.187 1.00 0.00 -0.273 OA +ATOM 10752 CA THR B 578 150.510 235.483 215.450 1.00 0.00 0.199 C +ATOM 10753 N THR B 578 150.055 236.472 214.483 1.00 0.00 -0.341 N +ATOM 10754 CB THR B 578 149.670 234.188 215.394 1.00 0.00 0.143 C +ATOM 10755 CG2 THR B 578 150.003 233.354 214.159 1.00 0.00 0.041 C +ATOM 10756 OG1 THR B 578 149.908 233.416 216.578 1.00 0.00 -0.389 OA +ATOM 10757 HG1 THR B 578 149.690 233.858 217.258 1.00 0.00 0.211 HD +ATOM 10758 H THR B 578 150.409 236.396 213.704 1.00 0.00 0.164 HD +ATOM 10759 C SER B 579 154.266 233.351 217.465 1.00 0.00 0.244 C +ATOM 10760 O SER B 579 153.444 233.283 218.378 1.00 0.00 -0.272 OA +ATOM 10761 CA SER B 579 153.978 234.199 216.239 1.00 0.00 0.197 C +ATOM 10762 N SER B 579 152.558 234.495 216.223 1.00 0.00 -0.342 N +ATOM 10763 CB SER B 579 154.801 235.489 216.259 1.00 0.00 0.191 C +ATOM 10764 OG SER B 579 156.158 235.233 216.568 1.00 0.00 -0.392 OA +ATOM 10765 HG SER B 579 156.592 235.952 216.574 1.00 0.00 0.210 HD +ATOM 10766 H SER B 579 152.140 234.207 216.917 1.00 0.00 0.164 HD +ATOM 10767 C PHE B 580 156.516 232.654 219.709 1.00 0.00 0.243 C +ATOM 10768 O PHE B 580 156.912 232.091 220.727 1.00 0.00 -0.272 OA +ATOM 10769 CA PHE B 580 155.789 231.862 218.626 1.00 0.00 0.175 C +ATOM 10770 N PHE B 580 155.424 232.702 217.492 1.00 0.00 -0.343 N +ATOM 10771 CB PHE B 580 156.646 230.684 218.160 1.00 0.00 0.070 C +ATOM 10772 CG PHE B 580 155.863 229.593 217.474 1.00 0.00 -0.045 A +ATOM 10773 CD1 PHE B 580 154.634 229.183 217.966 1.00 0.00 0.004 A +ATOM 10774 CD2 PHE B 580 156.357 228.980 216.337 1.00 0.00 0.004 A +ATOM 10775 CE1 PHE B 580 153.919 228.183 217.340 1.00 0.00 0.000 A +ATOM 10776 CE2 PHE B 580 155.644 227.981 215.707 1.00 0.00 0.000 A +ATOM 10777 CZ PHE B 580 154.424 227.582 216.209 1.00 0.00 0.000 A +ATOM 10778 H PHE B 580 156.016 232.732 216.869 1.00 0.00 0.164 HD +ATOM 10779 C SER B 581 156.381 236.064 220.720 1.00 0.00 0.244 C +ATOM 10780 O SER B 581 155.604 236.442 219.844 1.00 0.00 -0.272 OA +ATOM 10781 CA SER B 581 157.253 234.832 220.507 1.00 0.00 0.197 C +ATOM 10782 N SER B 581 156.678 233.956 219.493 1.00 0.00 -0.342 N +ATOM 10783 CB SER B 581 158.673 235.253 220.120 1.00 0.00 0.191 C +ATOM 10784 OG SER B 581 158.713 235.766 218.802 1.00 0.00 -0.392 OA +ATOM 10785 HG SER B 581 158.453 235.181 218.258 1.00 0.00 0.210 HD +ATOM 10786 H SER B 581 156.462 234.358 218.764 1.00 0.00 0.164 HD +ATOM 10787 C VAL B 582 156.216 239.084 221.473 1.00 0.00 0.243 C +ATOM 10788 O VAL B 582 157.423 239.279 221.350 1.00 0.00 -0.272 OA +ATOM 10789 CA VAL B 582 155.706 237.850 222.223 1.00 0.00 0.173 C +ATOM 10790 N VAL B 582 156.512 236.682 221.888 1.00 0.00 -0.343 N +ATOM 10791 CB VAL B 582 155.712 238.129 223.744 1.00 0.00 0.015 C +ATOM 10792 CG1 VAL B 582 155.227 236.905 224.504 1.00 0.00 0.010 C +ATOM 10793 CG2 VAL B 582 157.098 238.536 224.233 1.00 0.00 0.010 C +ATOM 10794 H VAL B 582 157.061 236.444 222.506 1.00 0.00 0.164 HD +ATOM 10795 C PRO B 583 156.283 242.166 221.359 1.00 0.00 0.243 C +ATOM 10796 O PRO B 583 157.500 242.237 221.522 1.00 0.00 -0.271 OA +ATOM 10797 CA PRO B 583 155.738 241.178 220.334 1.00 0.00 0.175 C +ATOM 10798 N PRO B 583 155.299 239.914 220.943 1.00 0.00 -0.329 N +ATOM 10799 CB PRO B 583 154.461 241.720 219.687 1.00 0.00 0.037 C +ATOM 10800 CG PRO B 583 153.585 240.534 219.510 1.00 0.00 0.024 C +ATOM 10801 CD PRO B 583 153.879 239.641 220.665 1.00 0.00 0.121 C diff --git a/data/examples/ibuprofen_complete/session_meta.json b/data/examples/ibuprofen_complete/session_meta.json new file mode 100644 index 0000000000000000000000000000000000000000..4c1269b2fcb81228b417f2c97b9eaf34552889c3 --- /dev/null +++ b/data/examples/ibuprofen_complete/session_meta.json @@ -0,0 +1,11 @@ +{ + "session_id": "93e44ebf6158878c", + "module": 1, + "created": "2026-04-06T18:58:19.118550", + "smiles_input": "CC(C)Cc1ccc(cc1)C(C)C(=O)O", + "target": "COX2", + "pdb_id": "5IKT", + "index_path": "C:\\Users\\User\\Downloads\\MolGate\\master_index.json", + "drug_id": null, + "drug_label": null +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_01_smiles.json b/data/examples/ibuprofen_complete/stage_01_smiles.json new file mode 100644 index 0000000000000000000000000000000000000000..ad9a78a3681e294ddd3349ac71441b12c649698a --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_01_smiles.json @@ -0,0 +1,23 @@ +{ + "status": "WARN", + "input_smiles": "CC(C)Cc1ccc(cc1)C(C)C(=O)O", + "canonical_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", + "mol_weight": 206.28, + "num_atoms": 15, + "is_small_molecule": true, + "n_undefined_chiral_centers": 1, + "n_undefined_ez_bonds": 0, + "undefined_chiral_atom_indices": [ + 8 + ], + "undefined_ez_bond_atom_pairs": [], + "stereo_scan_method": "rdMolDescriptors", + "recommend_resolve_stereo_before_module2": true, + "warnings": [ + "未定義手性中心：1 處（atom_idx: [8]） — 建議補齊 @ 立體再進 Module 2" + ], + "_stage": 1, + "_name": "smiles", + "_timestamp": "2026-04-06T18:58:19.126835", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_02_pdb.json b/data/examples/ibuprofen_complete/stage_02_pdb.json new file mode 100644 index 0000000000000000000000000000000000000000..2863500f4fec48ce1f0c8874498feb3370579e3f --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_02_pdb.json @@ -0,0 +1,18 @@ +{ + "status": "PASS", + "pdb_id": "5IKT", + "pdb_path": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\pdb\\5IKT.pdb", + "download_url": "https://files.rcsb.org/download/5IKT.pdb", + "atom_count": 17579, + "hetatm_count": 933, + "chains": [ + "A", + "B" + ], + "has_hetatm": true, + "has_cryst1": true, + "_stage": 2, + "_name": "pdb", + "_timestamp": "2026-04-06T18:58:19.410422", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_03_index.json b/data/examples/ibuprofen_complete/stage_03_index.json new file mode 100644 index 0000000000000000000000000000000000000000..b1e7418fb967eee5edf9cbd1ec31b58da358ddf4 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_03_index.json @@ -0,0 +1,16 @@ +{ + "status": "PASS", + "target": "COX2", + "pdb_id": "5IKT", + "input_pdb": "5IKT", + "state": "bound", + "family": "cyclooxygenase", + "pocket_rule": "cocrystal_ligand:TLF", + "cocrystal_het": "TLF", + "override": {}, + "notes": "5IKT 共晶配體之 CCD 為 TLF（氟比洛芬）；target_drug 為實際 docking 欲測之藥物（Ibuprofen）", + "_stage": 3, + "_name": "index", + "_timestamp": "2026-04-06T18:58:19.421659", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_04_protonation.json b/data/examples/ibuprofen_complete/stage_04_protonation.json new file mode 100644 index 0000000000000000000000000000000000000000..f3f56af83a17a32a520ab0daad9101d3198d7dba --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_04_protonation.json @@ -0,0 +1,15 @@ +{ + "status": "AUTO", + "tier": "A", + "input_smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", + "candidates": [ + "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1" + ], + "selected_smiles": "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1", + "ph": 7.4, + "note": "羧酸藥，pH 7.4 主要去質子化，單一形態足夠", + "_stage": 4, + "_name": "protonation", + "_timestamp": "2026-04-06T18:58:20.044855", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_05_tautomer.json b/data/examples/ibuprofen_complete/stage_05_tautomer.json new file mode 100644 index 0000000000000000000000000000000000000000..10e4333d970b37983f25072edfbd22a1c5d9d86c --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_05_tautomer.json @@ -0,0 +1,17 @@ +{ + "status": "AUTO", + "tier": "A", + "input_smiles": "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1", + "canonical_tautomer": "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1", + "all_tautomers": [ + "CC(=C([O-])O)c1ccc(CC(C)C)cc1", + "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1" + ], + "selected_smiles": "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1", + "tautomer_count": 2, + "note": "無高風險互變核心", + "_stage": 5, + "_name": "tautomer", + "_timestamp": "2026-04-06T18:58:20.054880", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_09_ligand_pdbqt.json b/data/examples/ibuprofen_complete/stage_09_ligand_pdbqt.json new file mode 100644 index 0000000000000000000000000000000000000000..40662cf802528558a34b225a06025ab2f7179d20 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_09_ligand_pdbqt.json @@ -0,0 +1,16 @@ +{ + "status": "PASS", + "input_smiles": "CC(C)Cc1ccc(C(C)C(=O)[O-])cc1", + "smiles_source": "stage_05_tautomer.json:selected_smiles", + "engine": "meeko", + "engine_detail": { + "engine": "meeko", + "detail": "PDBQTWriterLegacy.write_string", + "api": "__call__" + }, + "ligand_pdbqt": "C:\\Users\\User\\Downloads\\MolGate\\molgate_sessions\\93e44ebf6158878c\\ligand\\ligand.pdbqt", + "_stage": 9, + "_name": "ligand_pdbqt", + "_timestamp": "2026-04-06T18:58:26.857161", + "_schema_version": "0.1" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_10_family.json b/data/examples/ibuprofen_complete/stage_10_family.json new file mode 100644 index 0000000000000000000000000000000000000000..4710e0cb26ae122b0707166d4ccf43daa21b07c2 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_10_family.json @@ -0,0 +1,9 @@ +{ + "status": "AUTO", + "family": "cyclooxygenase", + "prep_profile": "標準準備，無特殊需求", + "_stage": 10, + "_name": "family", + "_timestamp": "2026-04-06T18:58:27.901953", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_11_state.json b/data/examples/ibuprofen_complete/stage_11_state.json new file mode 100644 index 0000000000000000000000000000000000000000..05722f7d2c75ed120ead38e38162610447cc1497 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_11_state.json @@ -0,0 +1,9 @@ +{ + "status": "AUTO", + "state": "bound", + "notes": "5IKT 共晶配體之 CCD 為 TLF（氟比洛芬）；target_drug 為實際 docking 欲測之藥物（Ibuprofen）", + "_stage": 11, + "_name": "state", + "_timestamp": "2026-04-06T18:58:27.902966", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_12_chains.json b/data/examples/ibuprofen_complete/stage_12_chains.json new file mode 100644 index 0000000000000000000000000000000000000000..8d2acfae742a3b0b900440b8aa95e655f4fefb33 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_12_chains.json @@ -0,0 +1,24 @@ +{ + "status": "AUTO", + "all_chains": [ + "A", + "B", + "C", + "D", + "E", + "F" + ], + "contaminant_chains": [], + "kept_chains": [ + "A", + "B", + "C", + "D", + "E", + "F" + ], + "_stage": 12, + "_name": "chains", + "_timestamp": "2026-04-06T18:58:27.904967", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_13_loops.json b/data/examples/ibuprofen_complete/stage_13_loops.json new file mode 100644 index 0000000000000000000000000000000000000000..a42cfb9ba18a94f37a3c94f5a3edea947fa16cc7 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_13_loops.json @@ -0,0 +1,9 @@ +{ + "status": "AUTO", + "missing_count": 0, + "missing_segments": [], + "_stage": 13, + "_name": "loops", + "_timestamp": "2026-04-06T18:58:27.907962", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_14_water.json b/data/examples/ibuprofen_complete/stage_14_water.json new file mode 100644 index 0000000000000000000000000000000000000000..999bd752283321aea6f8d404541cd0adfb80ea8a --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_14_water.json @@ -0,0 +1,10 @@ +{ + "status": "AUTO", + "action": "remove_all", + "water_count": 421, + "keep_water": false, + "_stage": 14, + "_name": "water", + "_timestamp": "2026-04-06T18:58:27.911969", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_15_cofactor.json b/data/examples/ibuprofen_complete/stage_15_cofactor.json new file mode 100644 index 0000000000000000000000000000000000000000..e659ba82e791b2365793856415b3cfb402d19a10 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_15_cofactor.json @@ -0,0 +1,105 @@ +{ + "status": "MANUAL", + "detected": [ + { + "resname": "COH", + "chain": "A", + "resseq": 602, + "kind": "het" + }, + { + "resname": "COH", + "chain": "B", + "resseq": 602, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "B", + "resseq": 603, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "C", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "C", + "resseq": 2, + "kind": "het" + }, + { + "resname": "MAN", + "chain": "C", + "resseq": 3, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "D", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "D", + "resseq": 2, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "E", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "E", + "resseq": 2, + "kind": "het" + }, + { + "resname": "MAN", + "chain": "E", + "resseq": 3, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "F", + "resseq": 1, + "kind": "het" + }, + { + "resname": "NAG", + "chain": "F", + "resseq": 2, + "kind": "het" + } + ], + "index_flagged": [], + "action": "remove_all", + "kept": [], + "removed": [ + "COH", + "COH", + "NAG", + "NAG", + "NAG", + "MAN", + "NAG", + "NAG", + "NAG", + "NAG", + "MAN", + "NAG", + "NAG" + ], + "_stage": 15, + "_name": "cofactor", + "_timestamp": "2026-04-06T19:00:36.938566", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_16_propka.json b/data/examples/ibuprofen_complete/stage_16_propka.json new file mode 100644 index 0000000000000000000000000000000000000000..237507d3ee7c3d156e9a5cfbca2635a950cf464c --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_16_propka.json @@ -0,0 +1,9 @@ +{ + "status": "SKIPPED", + "flag": "PROPKA_SKIPPED", + "note": "快速版占位。正式版需 PROPKA/PDB2PQR 並重跑。", + "_stage": 16, + "_name": "propka", + "_timestamp": "2026-04-06T19:00:36.939595", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_17_override.json b/data/examples/ibuprofen_complete/stage_17_override.json new file mode 100644 index 0000000000000000000000000000000000000000..23f75cd3adbae35969df1db88fee1019f3cdc56b --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_17_override.json @@ -0,0 +1,9 @@ +{ + "status": "AUTO", + "family": "cyclooxygenase", + "override_rules": {}, + "_stage": 17, + "_name": "override", + "_timestamp": "2026-04-06T19:00:36.940594", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_18_saltbridge.json b/data/examples/ibuprofen_complete/stage_18_saltbridge.json new file mode 100644 index 0000000000000000000000000000000000000000..4a9d764ea2fba44f47a5223fa88271a72e8d0f9e --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_18_saltbridge.json @@ -0,0 +1,9 @@ +{ + "status": "SKIPPED", + "flag": "SALT_BRIDGE_SKIPPED", + "note": "快速版占位。正式版需 PROPKA 完成後再分析。", + "_stage": 18, + "_name": "saltbridge", + "_timestamp": "2026-04-06T19:00:36.941593", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_19_receptor_pdbqt.json b/data/examples/ibuprofen_complete/stage_19_receptor_pdbqt.json new file mode 100644 index 0000000000000000000000000000000000000000..647da6379b716d272c638cd1547554c3e6bf3fa3 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_19_receptor_pdbqt.json @@ -0,0 +1,10 @@ +{ + "status": "PASS", + "engine": "meeko", + "apo_pdb": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/protein/apo_for_docking.pdb", + "receptor_pdbqt": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/protein/receptor.pdbqt", + "_stage": 19, + "_name": "receptor_pdbqt", + "_timestamp": "2026-04-06T19:01:43.255493", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_20_receptor_geometry_qc.json b/data/examples/ibuprofen_complete/stage_20_receptor_geometry_qc.json new file mode 100644 index 0000000000000000000000000000000000000000..a979f512ec3346fc1ea524a389d6dceb52bc0db2 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_20_receptor_geometry_qc.json @@ -0,0 +1,10 @@ +{ + "status": "PASS", + "chain_count": 6, + "approx_aa_residues": 1102, + "note": "占位：僅計數。深度幾何 QC 待擴充。", + "_stage": 20, + "_name": "receptor_geometry_qc", + "_timestamp": "2026-04-06T19:01:43.427893", + "_schema_version": "0.3" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_21_hetatm.json b/data/examples/ibuprofen_complete/stage_21_hetatm.json new file mode 100644 index 0000000000000000000000000000000000000000..580fa8dc0509670720430b35757f171305e39718 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_21_hetatm.json @@ -0,0 +1,65 @@ +{ + "status": "PASS", + "raw_hetatm_count": 21, + "excluded_glycan_count": 11, + "excluded_cofactor_count": 0, + "excluded_blacklist_count": 6, + "excluded_mw_count": 0, + "candidate_count": 4, + "candidates": [ + { + "resname": "TLF", + "chain": "A", + "resseq": 601, + "atom_count": 29, + "heavy_atom_count": 18, + "mw_estimate": 234.0, + "ligand_role": "target" + }, + { + "resname": "TLF", + "chain": "B", + "resseq": 601, + "atom_count": 29, + "heavy_atom_count": 18, + "mw_estimate": 234.0, + "ligand_role": "target" + }, + { + "resname": "COH", + "chain": "A", + "resseq": 602, + "atom_count": 73, + "heavy_atom_count": 43, + "mw_estimate": 559.0, + "ligand_role": "candidate" + }, + { + "resname": "COH", + "chain": "B", + "resseq": 602, + "atom_count": 73, + "heavy_atom_count": 43, + "mw_estimate": 559.0, + "ligand_role": "candidate" + } + ], + "mw_cutoff": 150.0, + "filter_rules": { + "primary_het_ids": [ + "TLF" + ], + "keep_cofactors": [], + "glycan_blacklist_size": 28, + "cofactor_blacklist_size": 60 + }, + "module3_prep": { + "pdb_id": "5IKT", + "target": "COX2", + "ready_for_engine_e": true + }, + "_stage": 21, + "_name": "hetatm", + "_timestamp": "2026-04-06T19:01:44.019904", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_22_ligand.json b/data/examples/ibuprofen_complete/stage_22_ligand.json new file mode 100644 index 0000000000000000000000000000000000000000..99e017da2715214b36f57fba952ad96c3a4bf406 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_22_ligand.json @@ -0,0 +1,20 @@ +{ + "status": "MANUAL", + "selected_het_id": "TLF", + "chain": "A", + "resseq": 601, + "mw_estimate": 234.0, + "heavy_atom_count": 18, + "master_index_expected_het": "TLF", + "master_index_het_id": "TLF", + "match": true, + "pocket_rule": "cocrystal_ligand:TLF", + "ready_for_engine_c": true, + "pdb_id": "5IKT", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "_stage": 22, + "_name": "ligand", + "_timestamp": "2026-04-06T19:03:11.885493", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_23_pocket_center.json b/data/examples/ibuprofen_complete/stage_23_pocket_center.json new file mode 100644 index 0000000000000000000000000000000000000000..0829959d718a6502ce3a248794dc273f5ce34a73 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_23_pocket_center.json @@ -0,0 +1,23 @@ +{ + "status": "CONFIRM", + "het_id": "TLF", + "chain": "A", + "resseq": 601, + "atom_count": 18, + "center_x": 165.423, + "center_y": 185.645, + "center_z": 192.592, + "box_size_x": 28.5, + "box_size_y": 23.8, + "box_size_z": 25.8, + "padding": 10.0, + "padding_source": "預設 10 Å", + "pocket_rule": "cocrystal_ligand:TLF", + "pdb_id": "5IKT", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "_stage": 23, + "_name": "pocket_center", + "_timestamp": "2026-04-06T19:03:53.994578", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_24_vina.json b/data/examples/ibuprofen_complete/stage_24_vina.json new file mode 100644 index 0000000000000000000000000000000000000000..ebe7747a6c6f412e511161f6d2503c892a81a539 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_24_vina.json @@ -0,0 +1,71 @@ +{ + "status": "PASS", + "vina_bin": "C:\\Users\\User\\Downloads\\MolGate\\tool\\vina\\vina.exe.exe", + "exhaustiveness": 8, + "num_modes": 9, + "pose_count": 9, + "poses": [ + { + "mode": 1, + "affinity": -7.57, + "rmsd_lb": 0.0, + "rmsd_ub": 0.0 + }, + { + "mode": 2, + "affinity": -7.505, + "rmsd_lb": 1.458, + "rmsd_ub": 2.602 + }, + { + "mode": 3, + "affinity": -7.039, + "rmsd_lb": 3.518, + "rmsd_ub": 6.517 + }, + { + "mode": 4, + "affinity": -6.698, + "rmsd_lb": 3.21, + "rmsd_ub": 5.917 + }, + { + "mode": 5, + "affinity": -6.658, + "rmsd_lb": 1.193, + "rmsd_ub": 1.945 + }, + { + "mode": 6, + "affinity": -6.395, + "rmsd_lb": 10.68, + "rmsd_ub": 12.28 + }, + { + "mode": 7, + "affinity": -6.064, + "rmsd_lb": 10.98, + "rmsd_ub": 12.7 + }, + { + "mode": 8, + "affinity": -5.677, + "rmsd_lb": 11.63, + "rmsd_ub": 12.89 + }, + { + "mode": 9, + "affinity": -5.545, + "rmsd_lb": 3.128, + "rmsd_ub": 5.961 + } + ], + "output_pdbqt": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/docking/output.pdbqt", + "log_file": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/docking/vina.log", + "pocket_het_id": "TLF", + "pocket_chain": "A", + "_stage": 24, + "_name": "vina", + "_timestamp": "2026-04-06T19:03:57.974964", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_25_qc.json b/data/examples/ibuprofen_complete/stage_25_qc.json new file mode 100644 index 0000000000000000000000000000000000000000..b1ec4289889d4c5a9fe4b0117390e6df50377d66 --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_25_qc.json @@ -0,0 +1,78 @@ +{ + "status": "WARN", + "best_pose_mode": 1, + "best_affinity": -7.57, + "best_rmsd_lb": 0.0, + "best_rmsd_ub": 0.0, + "score_threshold": -6.0, + "out_of_pocket_rmsd_lb_cutoff": 8.0, + "out_of_pocket_modes": [ + 6, + 7, + 8 + ], + "qc_pass": false, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [6, 7, 8]" + ], + "all_poses": [ + { + "mode": 1, + "affinity": -7.57, + "rmsd_lb": 0.0, + "rmsd_ub": 0.0 + }, + { + "mode": 2, + "affinity": -7.505, + "rmsd_lb": 1.458, + "rmsd_ub": 2.602 + }, + { + "mode": 3, + "affinity": -7.039, + "rmsd_lb": 3.518, + "rmsd_ub": 6.517 + }, + { + "mode": 4, + "affinity": -6.698, + "rmsd_lb": 3.21, + "rmsd_ub": 5.917 + }, + { + "mode": 5, + "affinity": -6.658, + "rmsd_lb": 1.193, + "rmsd_ub": 1.945 + }, + { + "mode": 6, + "affinity": -6.395, + "rmsd_lb": 10.68, + "rmsd_ub": 12.28 + }, + { + "mode": 7, + "affinity": -6.064, + "rmsd_lb": 10.98, + "rmsd_ub": 12.7 + }, + { + "mode": 8, + "affinity": -5.677, + "rmsd_lb": 11.63, + "rmsd_ub": 12.89 + }, + { + "mode": 9, + "affinity": -5.545, + "rmsd_lb": 3.128, + "rmsd_ub": 5.961 + } + ], + "_stage": 25, + "_name": "qc", + "_timestamp": "2026-04-06T19:03:57.975962", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_26_result.json b/data/examples/ibuprofen_complete/stage_26_result.json new file mode 100644 index 0000000000000000000000000000000000000000..581177ac222dcab34d3bfe0e567eb83a7c2e9cea --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_26_result.json @@ -0,0 +1,85 @@ +{ + "status": "PASS", + "target": "COX2", + "pdb_id": "5IKT", + "het_id": "TLF", + "chain": "A", + "resseq": 601, + "pocket_rule": "cocrystal_ligand:TLF", + "best_affinity": -7.57, + "best_pose_mode": 1, + "confidence_tier": "C", + "qc_pass": false, + "flags": [ + "OUT_OF_POCKET: RMSD lb > 8.0 Å at modes [6, 7, 8]" + ], + "all_poses": [ + { + "mode": 1, + "affinity": -7.57, + "rmsd_lb": 0.0, + "rmsd_ub": 0.0 + }, + { + "mode": 2, + "affinity": -7.505, + "rmsd_lb": 1.458, + "rmsd_ub": 2.602 + }, + { + "mode": 3, + "affinity": -7.039, + "rmsd_lb": 3.518, + "rmsd_ub": 6.517 + }, + { + "mode": 4, + "affinity": -6.698, + "rmsd_lb": 3.21, + "rmsd_ub": 5.917 + }, + { + "mode": 5, + "affinity": -6.658, + "rmsd_lb": 1.193, + "rmsd_ub": 1.945 + }, + { + "mode": 6, + "affinity": -6.395, + "rmsd_lb": 10.68, + "rmsd_ub": 12.28 + }, + { + "mode": 7, + "affinity": -6.064, + "rmsd_lb": 10.98, + "rmsd_ub": 12.7 + }, + { + "mode": 8, + "affinity": -5.677, + "rmsd_lb": 11.63, + "rmsd_ub": 12.89 + }, + { + "mode": 9, + "affinity": -5.545, + "rmsd_lb": 3.128, + "rmsd_ub": 5.961 + } + ], + "output_pdbqt": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/docking/output.pdbqt", + "pocket_center": { + "x": 165.423, + "y": 185.645, + "z": 192.592 + }, + "ready_for_review": true, + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "_stage": 26, + "_name": "result", + "_timestamp": "2026-04-06T19:03:57.976973", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/examples/ibuprofen_complete/stage_27_review.json b/data/examples/ibuprofen_complete/stage_27_review.json new file mode 100644 index 0000000000000000000000000000000000000000..151ab0eb9c23a72f1a815429ae59e7dc73e9c6ba --- /dev/null +++ b/data/examples/ibuprofen_complete/stage_27_review.json @@ -0,0 +1,11 @@ +{ + "status": "ACCEPT", + "decision": "ACCEPT", + "note": "1", + "final_report": "C:/Users/User/Downloads/MolGate/molgate_sessions/93e44ebf6158878c/final_report.json", + "pipeline_complete": true, + "_stage": 27, + "_name": "review", + "_timestamp": "2026-04-06T19:04:17.435884", + "_schema_version": "0.2" +} \ No newline at end of file diff --git a/data/pdb/.gitkeep b/data/pdb/.gitkeep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/data/sessions/.gitkeep b/data/sessions/.gitkeep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/engines/__pycache__/molgate_module5_engineA.cpython-313.pyc b/engines/__pycache__/molgate_module5_engineA.cpython-313.pyc new file mode 100644 index 0000000000000000000000000000000000000000..4ef4ef5db84b856e24f4aa458265d0265f278e00 Binary files /dev/null and b/engines/__pycache__/molgate_module5_engineA.cpython-313.pyc differ diff --git a/engines/master_index.json b/engines/master_index.json new file mode 100644 index 0000000000000000000000000000000000000000..dd063b22dfc05d543b5636ebd4103b474f3b0ff4 --- /dev/null +++ b/engines/master_index.json @@ -0,0 +1,5347 @@ +{ + "_schema_version": "0.2", + "_comment": "MolGate Master Index — target registry for Module 1–4", + "COX2": { + "pdb_id": "5IKT", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "TLF", + "common_name": "Flurbiprofen", + "target_drug": "Ibuprofen", + "pocket_rule": "cocrystal_ligand:TLF", + "cocrystal_het": "TLF", + "override": {}, + "notes": "5IKT 共晶配體之 CCD 為 TLF（氟比洛芬）；target_drug 為實際 docking 欲測之藥物（Ibuprofen）" + }, + "COX2_CLX": { + "pdb_id": "3LN1", + "allowed": true, + "state": "bound", + "family": "cyclooxygenase", + "het_id": "CLX", + "cocrystal_het": "CLX", + "common_name": "Celecoxib", + "target_drug": "Celecoxib", + "pocket_rule": "cocrystal_ligand:CLX", + "override": {}, + "notes": "COX2 / Celecoxib 專用條目；供 runner index_key=COX2_CLX 使用。" + }, + "NEURAMINIDASE": { + "pdb_id": "2HU4", + "allowed": true, + "state": "bound", + "family": "hydrolase", + "het_id": "G39", + "cocrystal_het": "G39", + "common_name": "Oseltamivir", + "target_drug": "Oseltamivir", + "pocket_rule": "cocrystal_ligand:G39", + "override": {}, + "notes": "Influenza neuraminidase / Oseltamivir (Tamiflu) entry for runner drug 2." + }, + "ABLABL": { + "pdb_id": "1IEP", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "STI", + "cocrystal_het": "STI", + "pocket_rule": "cocrystal_ligand:STI", + "common_name": "Imatinib", + "target_drug": "Imatinib", + "override": {}, + "notes": "BCR-ABL kinase / Imatinib entry for runner drug 3." + }, + "DHFR": { + "pdb_id": "1U72", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "MTX", + "cocrystal_het": "MTX", + "common_name": "Methotrexate", + "target_drug": "Methotrexate", + "pocket_rule": "cocrystal_ligand:MTX", + "override": {}, + "notes": "DHFR / Methotrexate entry for runner drug 4." + }, + "CYP51": { + "pdb_id": "4WMZ", + "allowed": true, + "state": "bound", + "family": "cytochrome_p450", + "het_id": "FLC", + "cocrystal_het": "FLC", + "pocket_rule": "cocrystal_ligand:FLC", + "common_name": "Fluconazole", + "target_drug": "Fluconazole", + "override": {}, + "notes": "CYP51 / Fluconazole entry for runner drug 5." + }, + "PDE5": { + "pdb_id": "2H42", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "SLD", + "cocrystal_het": "SLD", + "pocket_rule": "cocrystal_ligand:SLD", + "common_name": "Sildenafil", + "target_drug": "Sildenafil", + "override": {}, + "notes": "PDE5 / Sildenafil entry for runner drug 6." + }, + "CA2": { + "pdb_id": "3HS4", + "allowed": true, + "state": "bound", + "family": "metalloenzyme", + "het_id": "AZM", + "cocrystal_het": "AZM", + "pocket_rule": "cocrystal_ligand:AZM", + "common_name": "Acetazolamide", + "target_drug": "Acetazolamide", + "override": { + "keep_cofactors": [ + "ZN" + ] + }, + "notes": "Carbonic anhydrase II / Acetazolamide entry for runner drug 7." + }, + "EGFR": { + "pdb_id": "4WKQ", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "IRE", + "cocrystal_het": "IRE", + "pocket_rule": "cocrystal_ligand:IRE", + "common_name": "Gefitinib", + "target_drug": "Gefitinib", + "override": {}, + "notes": "EGFR kinase / Gefitinib entry for runner drug 8." + }, + "D2R_6CM4": { + "pdb_id": "6CM4", + "allowed": true, + "state": "inactive", + "family": "GPCR", + "pocket_rule": "cocrystal_ligand:RIS", + "cocrystal_het": "RIS", + "override": {}, + "notes": "D2 / risperidone complex (6CM4)" + }, + "D2R_7DFP": { + "pdb_id": "7DFP", + "allowed": true, + "state": "inactive", + "family": "GPCR", + "pocket_rule": "cocrystal_ligand:SIP", + "cocrystal_het": "SIP", + "override": {}, + "notes": "D2 / spiperone (SIP) — Nat Commun 2020; use SIP centroid for box" + }, + "D2R": { + "pdb_id": "6CM4", + "allowed": true, + "state": "inactive", + "family": "GPCR", + "pocket_rule": "cocrystal_ligand:RIS", + "cocrystal_het": "RIS", + "override": {}, + "notes": "Alias: default D2 representative 6CM4" + }, + "VKOR": { + "pdb_id": "6WV3", + "allowed": true, + "state": "bound", + "family": "oxidoreductase", + "het_id": "SWF", + "cocrystal_het": "SWF", + "common_name": "Warfarin", + "target_drug": "Warfarin", + "pocket_rule": "cocrystal_ligand:SWF", + "override": {}, + "notes": "人源 VKOR 與 warfarin 共晶（6WV3，Science 2021）；抑制劑於 PDB 之 CCD 為 SWF（S-warfarin）。4KP6 為 PDE4B（1S1/MG/ZN），勿混用。" + }, + "FKBP12_TACROLIMUS": { + "pdb_id": "1FKJ", + "allowed": true, + "state": "bound", + "family": "isomerase", + "het_id": "FK5", + "cocrystal_het": "FK5", + "common_name": "Tacrolimus", + "target_drug": "Tacrolimus", + "pocket_rule": "cocrystal_ligand:FK5", + "anchor_mode": "direct", + "override": {}, + "notes": "FKBP12–FK506 複合體（1FKJ）；共晶配體 CCD 為 FK5（tacrolimus）。Direct anchor，適合大環／立體化學佔據基準。" + }, + "DRD2_QUETIAPINE_PROXY": { + "pdb_id": "6CM4", + "allowed": true, + "state": "bound_proxy", + "family": "GPCR", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Quetiapine", + "target_drug": "Quetiapine", + "pocket_rule": "surrogate_antipsychotic_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "無 quetiapine 與主要 CNS 受體之直接共晶時採用之 proxy：DRD2 非典型抗精神病藥口袋（6CM4），共晶配體 CCD 8NU（非 quetiapine）。日後若有 direct cocrystal 應另建條目並停用／取代本 proxy。" + }, + "EGFR_ERLOTINIB": { + "pdb_id": "1M17", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "AQ4", + "cocrystal_het": "AQ4", + "common_name": "Erlotinib", + "target_drug": "Erlotinib", + "pocket_rule": "cocrystal_ligand:AQ4", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct EGFR-erlotinib cocrystal anchor. Low stereochemical complexity; suitable as a stable kinase benchmark." + }, + "PDE5_VARDENAFIL": { + "pdb_id": "1UDT", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "VIA", + "cocrystal_het": "VIA", + "common_name": "Vardenafil", + "target_drug": "Vardenafil", + "pocket_rule": "cocrystal_ligand:VIA", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct PDE5-vardenafil cocrystal anchor. Good family-pair benchmark with sildenafil." + }, + "FXA_APIXABAN": { + "pdb_id": "2P16", + "allowed": true, + "state": "bound", + "family": "serine_protease", + "het_id": "GG2", + "cocrystal_het": "GG2", + "common_name": "Apixaban", + "target_drug": "Apixaban", + "pocket_rule": "cocrystal_ligand:GG2", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct Factor Xa-apixaban cocrystal anchor. Low stereochemical burden; suitable for anticoagulant benchmark expansion." + }, + "FXA_RIVAROXABAN": { + "pdb_id": "2W26", + "allowed": true, + "state": "bound", + "family": "serine_protease", + "het_id": "RIV", + "cocrystal_het": "RIV", + "common_name": "Rivaroxaban", + "target_drug": "Rivaroxaban", + "pocket_rule": "cocrystal_ligand:RIV", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct Factor Xa-rivaroxaban cocrystal anchor. Good paired benchmark with apixaban under the same target family." + }, + "HDAC2_VORINOSTAT": { + "pdb_id": "4LXZ", + "allowed": true, + "state": "bound", + "family": "histone_deacetylase", + "het_id": "SHH", + "cocrystal_het": "SHH", + "common_name": "Vorinostat", + "target_drug": "Vorinostat", + "pocket_rule": "cocrystal_ligand:SHH", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct HDAC2-vorinostat (SAHA) cocrystal anchor. Good zinc-dependent HDAC benchmark with simple ligand-side handling." + }, + "ABL_NILOTINIB": { + "pdb_id": "3CS9", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "NIL", + "cocrystal_het": "NIL", + "common_name": "Nilotinib", + "target_drug": "Nilotinib", + "pocket_rule": "cocrystal_ligand:NIL", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct ABL-nilotinib cocrystal anchor. Clean second-generation kinase benchmark for the ABL family." + }, + "ABL_BOSUTINIB": { + "pdb_id": "3UE4", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "DB8", + "cocrystal_het": "DB8", + "common_name": "Bosutinib", + "target_drug": "Bosutinib", + "pocket_rule": "cocrystal_ligand:DB8", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct ABL-bosutinib cocrystal anchor. Recommended to keep ABL first for benchmark consistency before adding SRC as a separate entry." + }, + "DDR1_PONATINIB": { + "pdb_id": "3ZOS", + "allowed": true, + "state": "bound", + "family": "kinase", + "het_id": "0LI", + "cocrystal_het": "0LI", + "common_name": "Ponatinib", + "target_drug": "Ponatinib", + "pocket_rule": "cocrystal_ligand:0LI", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DDR1-ponatinib cocrystal anchor. Recommended as the clearest direct anchor for ponatinib before expanding to ABL/SRC variants." + }, + "PDE4D_CILOMILAST": { + "pdb_id": "1XOM", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "CIO", + "cocrystal_het": "CIO", + "common_name": "Cilomilast", + "target_drug": "Cilomilast", + "pocket_rule": "cocrystal_ligand:CIO", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct PDE4D-cilomilast cocrystal anchor. Good PDE4 family benchmark with clear pocket logic and low stereochemical burden." + }, + "PDE4D_ROFLUMILAST": { + "pdb_id": "3G4L", + "allowed": true, + "state": "bound", + "family": "phosphodiesterase", + "het_id": "ROF", + "cocrystal_het": "ROF", + "common_name": "Roflumilast", + "target_drug": "Roflumilast", + "pocket_rule": "cocrystal_ligand:ROF", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct PDE4D-roflumilast cocrystal anchor. Recommended as a clean paired benchmark with cilomilast in the PDE4 family." + }, + "DPP4_ALOGLIPTIN": { + "drug_id": 23, + "drug_name": "Alogliptin", + "pdb_id": "2ONC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "DPP4", + "het_id": "SY1", + "cocrystal_het": "SY1", + "common_name": "Alogliptin", + "target_drug": "Alogliptin", + "pocket_rule": "cocrystal_ligand:SY1", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-alogliptin cocrystal anchor. Production index should use SY1 for 2ONC because the pocket ligand was resolved and selected as SY1 chain A." + }, + "DPP4_LINAGLIPTIN": { + "pdb_id": "2RGU", + "allowed": true, + "state": "bound", + "family": "serine_protease", + "het_id": "356", + "cocrystal_het": "356", + "common_name": "Linagliptin", + "target_drug": "Linagliptin", + "pocket_rule": "cocrystal_ligand:356", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-linagliptin cocrystal anchor. Good paired DPP4 benchmark with alogliptin." + }, + "TUBULIN": { + "pdb_id": "1SA0", + "allowed": true, + "state": "bound", + "family": "tubulin", + "common_name": "Tubulin", + "target_drug": "CustomLigand", + "pocket_rule": "auto_detect", + "override": {}, + "notes": "1SA0 α/β-tubulin；結構含 GTP/MG（核苷酸位）。自設小分子 docking 用 auto_detect 定口袋；M3 Engine B Stage 15 需勾選 GTP/MG 保留或移除。" + }, + "AMPK_METFORMIN_PROXY": { + "drug_id": 25, + "drug_name": "Metformin", + "pdb_id": "4CFE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "AMPK", + "het_id": "992", + "cocrystal_het": "992", + "common_name": "Metformin", + "target_drug": "Metformin", + "pocket_rule": "surrogate_activator_ligand:992", + "anchor_mode": "proxy", + "override": {}, + "notes": "無 metformin–AMPK 直接共晶時採用之 proxy：human AMPK（4CFE）ADaM 小分子活化劑口袋，共晶配體 CCD 992（非 metformin）。Metformin 主要經 lysosomal/Complex I 路徑調控 AMPK，本條目僅供結構化 docking 探索，勿當 direct benchmark。" + }, + "SITAGLIPTIN_DPP4": { + "drug_id": 26, + "drug_name": "Sitagliptin", + "pdb_id": "1X70", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "DPP4", + "het_id": "715", + "cocrystal_het": "715", + "common_name": "Sitagliptin", + "target_drug": "Sitagliptin", + "pocket_rule": "cocrystal_ligand:715", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-sitagliptin cocrystal anchor (1X70). Third DPP4 gliptin benchmark alongside alogliptin and linagliptin." + }, + "ATORVASTATIN_HMGCR_PROXY": { + "drug_id": 27, + "drug_name": "Atorvastatin", + "pdb_id": "1HWK", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "117", + "cocrystal_het": "117", + "common_name": "Atorvastatin", + "target_drug": "Atorvastatin", + "pocket_rule": "cocrystal_ligand:117", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct HMG-CoA reductase–atorvastatin cocrystal (1HWK). Index key retains _PROXY suffix from early catalog naming; anchor is direct." + }, + "ASPIRIN_COX2": { + "drug_id": 28, + "drug_name": "Aspirin", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Aspirin", + "target_drug": "Aspirin", + "pocket_rule": "cocrystal_ligand:TLF", + "anchor_mode": "direct", + "override": {}, + "notes": "COX-2 NSAID pocket via 5IKT flurbiprofen (TLF) template; dock aspirin into the same pocket as Ibuprofen (COX2 entry)." + }, + "OMEPRAZOLE_CYP2C19": { + "drug_id": 29, + "drug_name": "Omeprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Omeprazole", + "target_drug": "Omeprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 active site (4GQS). Co-crystal ligand 0XV is a benzofuran inhibitor, not omeprazole; omeprazole is a CYP2C19 substrate—use pocket template only." + }, + "AMLODIPINE_CACNA1C_PROXY": { + "drug_id": 30, + "drug_name": "Amlodipine", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Amlodipine", + "target_drug": "Amlodipine", + "pocket_rule": "cocrystal_ligand:6UB", + "anchor_mode": "direct", + "override": {}, + "notes": "Human Cav1.2 (CACNA1C) cryo-EM structure 8WE8 with amlodipine (6UB) in the DHP blocker site. Index key retains _PROXY from early catalog; anchor is direct." + }, + "LOSARTAN_AT1R_PROXY": { + "drug_id": 31, + "drug_name": "Losartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Losartan", + "target_drug": "Losartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); co-crystal OLM is olmesartan, not losartan" + }, + "ROSUVASTATIN_HMGCR": { + "drug_id": 32, + "drug_name": "Rosuvastatin", + "pdb_id": "3B7Q", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "6PL", + "cocrystal_het": "6PL", + "common_name": "Rosuvastatin", + "target_drug": "Rosuvastatin", + "pocket_rule": "cocrystal_ligand:6PL", + "anchor_mode": "direct", + "override": {}, + "notes": "HMG-CoA reductase rosuvastatin analog (3B7Q/6PL)" + }, + "SIMVASTATIN_HMGCR": { + "drug_id": 33, + "drug_name": "Simvastatin", + "pdb_id": "1HW9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "SIM", + "cocrystal_het": "SIM", + "common_name": "Simvastatin", + "target_drug": "Simvastatin", + "pocket_rule": "cocrystal_ligand:SIM", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct HMGCR-simvastatin (1HW9/SIM)" + }, + "PIOGLITAZONE_PPARgamma_PROXY": { + "drug_id": 34, + "drug_name": "Pioglitazone", + "pdb_id": "2PRG", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARG", + "het_id": "BRL", + "cocrystal_het": "BRL", + "common_name": "Pioglitazone", + "target_drug": "Pioglitazone", + "pocket_rule": "surrogate_tzd_ligand:BRL", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARgamma TZD scaffold (2PRG/BRL), not pioglitazone co-crystal" + }, + "EMPAGLIFLOZIN_SGLT2": { + "drug_id": 35, + "drug_name": "Empagliflozin", + "pdb_id": "7VSI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SGLT2", + "het_id": "7R3", + "cocrystal_het": "7R3", + "common_name": "Empagliflozin", + "target_drug": "Empagliflozin", + "pocket_rule": "cocrystal_ligand:7R3", + "anchor_mode": "direct", + "override": {}, + "notes": "SGLT2 inhibitor bound state (7VSI/7R3)" + }, + "SAXAGLIPTIN_DPP4": { + "drug_id": 36, + "drug_name": "Saxagliptin", + "pdb_id": "3C43", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "DPP4", + "het_id": "315", + "cocrystal_het": "315", + "common_name": "Saxagliptin", + "target_drug": "Saxagliptin", + "pocket_rule": "cocrystal_ligand:315", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct DPP4-saxagliptin analog (3C43/315)" + }, + "LANSOPRAZOLE_CYP2C19": { + "drug_id": 37, + "drug_name": "Lansoprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Lansoprazole", + "target_drug": "Lansoprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 template; 0XV is inhibitor not lansoprazole" + }, + "METOPROLOL_ADRB1_PROXY": { + "drug_id": 38, + "drug_name": "Metoprolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Metoprolol", + "target_drug": "Metoprolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate" + }, + "FENOFIBRATE_PPARalpha": { + "drug_id": 39, + "drug_name": "Fenofibrate", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Fenofibrate", + "target_drug": "Fenofibrate", + "pocket_rule": "cocrystal_ligand:544", + "anchor_mode": "direct", + "override": {}, + "notes": "PPARalpha fenofibric acid analog (1K74/544)" + }, + "HYDROCHLOROTHIAZIDE_CA2_PROXY": { + "drug_id": 40, + "drug_name": "Hydrochlorothiazide", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloenzyme", + "target": "CA2", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Hydrochlorothiazide", + "target_drug": "Hydrochlorothiazide", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "CA2 pocket template via acetazolamide; thiazide mechanism differs" + }, + "DICLOFENAC_COX2": { + "drug_id": 41, + "drug_name": "Diclofenac", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Diclofenac", + "target_drug": "Diclofenac", + "pocket_rule": "cocrystal_ligand:ID8", + "anchor_mode": "direct", + "override": {}, + "notes": "COX-2 diclofenac analog co-crystal (5IKR/ID8)" + }, + "NAPROXEN_COX2": { + "drug_id": 42, + "drug_name": "Naproxen", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Naproxen", + "target_drug": "Naproxen", + "pocket_rule": "cocrystal_ligand:TLF", + "anchor_mode": "direct", + "override": {}, + "notes": "NSAID pocket via 5IKT/TLF template; naproxen is not co-crystal ligand" + }, + "MELOXICAM_COX2_PROXY": { + "drug_id": 43, + "drug_name": "Meloxicam", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Meloxicam", + "target_drug": "Meloxicam", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + "HYDROXYCHLOROQUINE_LYSO_PROXY": { + "drug_id": 44, + "drug_name": "Hydroxychloroquine", + "pdb_id": "4MLN", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane", + "target": "LYSOSOMAL", + "het_id": "ODV", + "cocrystal_het": "ODV", + "common_name": "Hydroxychloroquine", + "target_drug": "Hydroxychloroquine", + "pocket_rule": "surrogate_lysosomal_ligand:ODV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory lysosomal/endosomal template; not direct HCQ co-crystal" + }, + "MONTELUKAST_CYSLT1_PROXY": { + "drug_id": 45, + "drug_name": "Montelukast", + "pdb_id": "6RZ4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "CYSLT1", + "het_id": "KNT", + "cocrystal_het": "KNT", + "common_name": "Montelukast", + "target_drug": "Montelukast", + "pocket_rule": "surrogate_cyslt_ligand:KNT", + "anchor_mode": "proxy", + "override": {}, + "notes": "CysLT receptor; KNT is pranlukast surrogate (6RZ4)" + }, + "ALBUTEROL_ADRB2_PROXY": { + "drug_id": 46, + "drug_name": "Albuterol", + "pdb_id": "2Y00", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB2", + "het_id": "Y00", + "cocrystal_het": "Y00", + "common_name": "Albuterol", + "target_drug": "Albuterol", + "pocket_rule": "surrogate_beta2_ligand:Y00", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-2 receptor; Y00 is dobutamine surrogate (2Y00)" + }, + "CIPROFLOXACIN_GYRASE": { + "drug_id": 47, + "drug_name": "Ciprofloxacin", + "pdb_id": "2XCT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "DNA_GYRASE", + "het_id": "CPF", + "cocrystal_het": "CPF", + "common_name": "Ciprofloxacin", + "target_drug": "Ciprofloxacin", + "pocket_rule": "cocrystal_ligand:CPF", + "anchor_mode": "direct", + "override": {}, + "notes": "DNA gyrase-ciprofloxacin (2XCT/CPF)" + }, + "PREDNISONE_NR3C1_PROXY": { + "drug_id": 48, + "drug_name": "Prednisone", + "pdb_id": "1M2Z", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "NR3C1", + "het_id": "DEX", + "cocrystal_het": "DEX", + "common_name": "Prednisone", + "target_drug": "Prednisone", + "pocket_rule": "surrogate_glucocorticoid_ligand:DEX", + "anchor_mode": "proxy", + "override": {}, + "notes": "Glucocorticoid receptor; DEX is dexamethasone surrogate" + }, + "ACETAMINOPHEN_COX2_PROXY": { + "drug_id": 49, + "drug_name": "Acetaminophen", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Acetaminophen", + "target_drug": "Acetaminophen", + "pocket_rule": "surrogate_nsaid_ligand:TLF", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX pocket template via 5IKT/TLF; acetaminophen COX mechanism debated" + }, + "FLUOXETINE_SERT_PROXY": { + "drug_id": 50, + "drug_name": "Fluoxetine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Fluoxetine", + "target_drug": "Fluoxetine", + "pocket_rule": "surrogate_ssri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template; 8PR is paroxetine surrogate (5I6X)" + }, + "DASATINIB_ABL": { + "drug_id": 51, + "drug_name": "Dasatinib", + "pdb_id": "2GQG", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ABL", + "het_id": "1N1", + "cocrystal_het": "1N1", + "common_name": "Dasatinib", + "target_drug": "Dasatinib", + "pocket_rule": "cocrystal_ligand:1N1", + "anchor_mode": "direct", + "override": {}, + "notes": "ABL-dasatinib co-crystal (2GQG/1N1)" + }, + "SUNITINIB_VEGFR2": { + "drug_id": 52, + "drug_name": "Sunitinib", + "pdb_id": "3G5E", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "Q74", + "cocrystal_het": "Q74", + "common_name": "Sunitinib", + "target_drug": "Sunitinib", + "pocket_rule": "cocrystal_ligand:Q74", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-sunitinib analog (3G5E/Q74)" + }, + "LAPATINIB_EGFR": { + "drug_id": 53, + "drug_name": "Lapatinib", + "pdb_id": "1XKK", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "FMM", + "cocrystal_het": "FMM", + "common_name": "Lapatinib", + "target_drug": "Lapatinib", + "pocket_rule": "cocrystal_ligand:FMM", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-lapatinib (1XKK/FMM)" + }, + "PALBOCICLIB_CDK6": { + "drug_id": 54, + "drug_name": "Palbociclib", + "pdb_id": "5L2I", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "CDK6", + "het_id": "LQQ", + "cocrystal_het": "LQQ", + "common_name": "Palbociclib", + "target_drug": "Palbociclib", + "pocket_rule": "cocrystal_ligand:LQQ", + "anchor_mode": "direct", + "override": {}, + "notes": "CDK6-palbociclib (5L2I/LQQ)" + }, + "TRAMETINIB_MEK1": { + "drug_id": 55, + "drug_name": "Trametinib", + "pdb_id": "7JUX", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MEK1", + "het_id": "QOM", + "cocrystal_het": "QOM", + "common_name": "Trametinib", + "target_drug": "Trametinib", + "pocket_rule": "cocrystal_ligand:QOM", + "anchor_mode": "direct", + "override": {}, + "notes": "MEK1-trametinib (7JUX/QOM)" + }, + "LETROZOLE_CYP19": { + "drug_id": 56, + "drug_name": "Letrozole", + "pdb_id": "1E3Q", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP19A1", + "het_id": "EBW", + "cocrystal_het": "EBW", + "common_name": "Letrozole", + "target_drug": "Letrozole", + "pocket_rule": "cocrystal_ligand:EBW", + "anchor_mode": "direct", + "override": {}, + "notes": "Aromatase-letrozole analog (1E3Q/EBW)" + }, + "ANASTROZOLE_CYP19": { + "drug_id": 57, + "drug_name": "Anastrozole", + "pdb_id": "3S7S", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP19A1", + "het_id": "EXM", + "cocrystal_het": "EXM", + "common_name": "Anastrozole", + "target_drug": "Anastrozole", + "pocket_rule": "cocrystal_ligand:EXM", + "anchor_mode": "direct", + "override": {}, + "notes": "Aromatase-anastrozole (3S7S/EXM)" + }, + "VENETOCLAX_BCL2": { + "drug_id": 58, + "drug_name": "Venetoclax", + "pdb_id": "6O0K", + "allowed": true, + "status": "active", + "state": "bound", + "family": "apoptosis_regulator", + "target": "BCL2", + "het_id": "LBM", + "cocrystal_het": "LBM", + "common_name": "Venetoclax", + "target_drug": "Venetoclax", + "pocket_rule": "cocrystal_ligand:LBM", + "anchor_mode": "direct", + "override": {}, + "notes": "BCL2-venetoclax (6O0K/LBM)" + }, + "DABRAFENIB_BRAF": { + "drug_id": 59, + "drug_name": "Dabrafenib", + "pdb_id": "4XV2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BRAF", + "het_id": "P06", + "cocrystal_het": "P06", + "common_name": "Dabrafenib", + "target_drug": "Dabrafenib", + "pocket_rule": "cocrystal_ligand:P06", + "anchor_mode": "direct", + "override": {}, + "notes": "BRAF-dabrafenib (4XV2/P06)" + }, + "CARVEDILOL_ADRB1_PROXY": { + "drug_id": 60, + "drug_name": "Carvedilol", + "pdb_id": "2Y03", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "5FW", + "cocrystal_het": "5FW", + "common_name": "Carvedilol", + "target_drug": "Carvedilol", + "pocket_rule": "surrogate_beta1_ligand:5FW", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 receptor; 5FW is isoproterenol surrogate (2Y03)" + }, + "GLIPIZIDE_KATP_PROXY": { + "drug_id": 61, + "drug_name": "Glipizide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Glipizide", + "target_drug": "Glipizide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ)" + }, + "REPAGLINIDE_KATP": { + "drug_id": 62, + "drug_name": "Repaglinide", + "pdb_id": "3VE0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "KATP", + "het_id": "REP", + "cocrystal_het": "REP", + "common_name": "Repaglinide", + "target_drug": "Repaglinide", + "pocket_rule": "cocrystal_ligand:REP", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct KATP-repaglinide co-crystal (3VE0/REP)" + }, + "CANAGLIFLOZIN_SGLT2": { + "drug_id": 63, + "drug_name": "Canagliflozin", + "pdb_id": "7VSL", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SGLT2", + "het_id": "5ZI", + "cocrystal_het": "5ZI", + "common_name": "Canagliflozin", + "target_drug": "Canagliflozin", + "pocket_rule": "cocrystal_ligand:5ZI", + "anchor_mode": "direct", + "override": {}, + "notes": "SGLT2-canagliflozin bound state (7VSL/5ZI)" + }, + "DAPAGLIFLOZIN_SGLT2": { + "drug_id": 64, + "drug_name": "Dapagliflozin", + "pdb_id": "6VBL", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SGLT2", + "het_id": "DAP", + "cocrystal_het": "DAP", + "common_name": "Dapagliflozin", + "target_drug": "Dapagliflozin", + "pocket_rule": "cocrystal_ligand:DAP", + "anchor_mode": "direct", + "override": {}, + "notes": "SGLT2-dapagliflozin co-crystal (6VBL/DAP)" + }, + "EZETIMIBE_NPC1L1": { + "drug_id": 65, + "drug_name": "Ezetimibe", + "pdb_id": "3QNT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "NPC1L1", + "het_id": "EZE", + "cocrystal_het": "EZE", + "common_name": "Ezetimibe", + "target_drug": "Ezetimibe", + "pocket_rule": "cocrystal_ligand:EZE", + "anchor_mode": "direct", + "override": {}, + "notes": "NPC1L1-ezetimibe co-crystal (3QNT/EZE)" + }, + "PRAVASTATIN_HMGCR_PROXY": { + "drug_id": 66, + "drug_name": "Pravastatin", + "pdb_id": "1HW9", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "SIM", + "cocrystal_het": "SIM", + "common_name": "Pravastatin", + "target_drug": "Pravastatin", + "pocket_rule": "surrogate_statin_ligand:SIM", + "anchor_mode": "proxy", + "override": {}, + "notes": "HMGCR statin pocket via simvastatin site (1HW9/SIM); pravastatin not co-crystal ligand" + }, + "LOVASTATIN_HMGCR": { + "drug_id": 67, + "drug_name": "Lovastatin", + "pdb_id": "1HW8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "HMGCR", + "het_id": "MVA", + "cocrystal_het": "MVA", + "common_name": "Lovastatin", + "target_drug": "Lovastatin", + "pocket_rule": "cocrystal_ligand:MVA", + "anchor_mode": "direct", + "override": {}, + "notes": "HMGCR-mevastatin/lovastatin family co-crystal (1HW8/MVA)" + }, + "VALSARTAN_AT1R_PROXY": { + "drug_id": 68, + "drug_name": "Valsartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Valsartan", + "target_drug": "Valsartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); OLM is olmesartan surrogate, not valsartan" + }, + "SPIRONOLACTONE_NR3C2": { + "drug_id": 69, + "drug_name": "Spironolactone", + "pdb_id": "2AA2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "NR3C2", + "het_id": "SPI", + "cocrystal_het": "SPI", + "common_name": "Spironolactone", + "target_drug": "Spironolactone", + "pocket_rule": "cocrystal_ligand:SPI", + "anchor_mode": "direct", + "override": {}, + "notes": "Mineralocorticoid receptor-spironolactone (2AA2/SPI)" + }, + "PROPRANOLOL_ADRB1_PROXY": { + "drug_id": 70, + "drug_name": "Propranolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Propranolol", + "target_drug": "Propranolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02)" + }, + "INDOMETHACIN_COX2_PROXY": { + "drug_id": 71, + "drug_name": "Indomethacin", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Indomethacin", + "target_drug": "Indomethacin", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + "KETOROLAC_COX2": { + "drug_id": 72, + "drug_name": "Ketorolac", + "pdb_id": "1Q4G", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "KRL", + "cocrystal_het": "KRL", + "common_name": "Ketorolac", + "target_drug": "Ketorolac", + "pocket_rule": "cocrystal_ligand:KRL", + "anchor_mode": "direct", + "override": {}, + "notes": "COX-2-ketorolac co-crystal (1Q4G/KRL)" + }, + "PIROXICAM_COX2_PROXY": { + "drug_id": 73, + "drug_name": "Piroxicam", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Piroxicam", + "target_drug": "Piroxicam", + "pocket_rule": "surrogate_nsaid_ligand:TLF", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX pocket via flurbiprofen template (5IKT/TLF)" + }, + "AZITHROMYCIN_RIBOSOME": { + "drug_id": 74, + "drug_name": "Azithromycin", + "pdb_id": "1YII", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "AZI", + "cocrystal_het": "AZI", + "common_name": "Azithromycin", + "target_drug": "Azithromycin", + "pocket_rule": "cocrystal_ligand:AZI", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-azithromycin (1YII/AZI)" + }, + "AMOXICILLIN_PBP_PROXY": { + "drug_id": 75, + "drug_name": "Amoxicillin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Amoxicillin", + "target_drug": "Amoxicillin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "Penicillin-binding protein template; PG2 is penicillin G surrogate (1PWP)" + }, + "DOXYCYCLINE_RIBOSOME": { + "drug_id": 76, + "drug_name": "Doxycycline", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Doxycycline", + "target_drug": "Doxycycline", + "pocket_rule": "cocrystal_ligand:DOX", + "anchor_mode": "direct", + "override": {}, + "notes": "30S ribosome-doxycycline (1HNW/DOX)" + }, + "LEVOFLOXACIN_GYRASE": { + "drug_id": 77, + "drug_name": "Levofloxacin", + "pdb_id": "2XCT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "DNA_GYRASE", + "het_id": "CPF", + "cocrystal_het": "CPF", + "common_name": "Levofloxacin", + "target_drug": "Levofloxacin", + "pocket_rule": "surrogate_fluoroquinolone_ligand:CPF", + "anchor_mode": "proxy", + "override": {}, + "notes": "DNA gyrase fluoroquinolone pocket via ciprofloxacin (2XCT/CPF)" + }, + "TRIMETHOPRIM_DHFR": { + "drug_id": 78, + "drug_name": "Trimethoprim", + "pdb_id": "2W9G", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "DHFR", + "het_id": "TMP", + "cocrystal_het": "TMP", + "common_name": "Trimethoprim", + "target_drug": "Trimethoprim", + "pocket_rule": "cocrystal_ligand:TMP", + "anchor_mode": "direct", + "override": {}, + "notes": "DHFR-trimethoprim co-crystal (2W9G/TMP)" + }, + "SERTRALINE_SERT_PROXY": { + "drug_id": 79, + "drug_name": "Sertraline", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Sertraline", + "target_drug": "Sertraline", + "pocket_rule": "surrogate_ssri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template; 8PR is paroxetine surrogate (5I6X)" + }, + "PAROXETINE_SERT": { + "drug_id": 80, + "drug_name": "Paroxetine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Paroxetine", + "target_drug": "Paroxetine", + "pocket_rule": "cocrystal_ligand:8PR", + "anchor_mode": "direct", + "override": {}, + "notes": "Direct SERT-paroxetine co-crystal (5I6X/8PR)" + }, + "OSIMERTINIB_EGFR": { + "drug_id": 81, + "drug_name": "Osimertinib", + "pdb_id": "5XGN", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "OSS", + "cocrystal_het": "OSS", + "common_name": "Osimertinib", + "target_drug": "Osimertinib", + "pocket_rule": "cocrystal_ligand:OSS", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-osimertinib co-crystal (5XGN/OSS)" + }, + "AFATINIB_EGFR": { + "drug_id": 82, + "drug_name": "Afatinib", + "pdb_id": "4G5J", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "AFT", + "cocrystal_het": "AFT", + "common_name": "Afatinib", + "target_drug": "Afatinib", + "pocket_rule": "cocrystal_ligand:AFT", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-afatinib co-crystal (4G5J/AFT)" + }, + "SORAFENIB_BRAF": { + "drug_id": 83, + "drug_name": "Sorafenib", + "pdb_id": "3OG7", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BRAF", + "het_id": "SOR", + "cocrystal_het": "SOR", + "common_name": "Sorafenib", + "target_drug": "Sorafenib", + "pocket_rule": "cocrystal_ligand:SOR", + "anchor_mode": "direct", + "override": {}, + "notes": "BRAF-sorafenib co-crystal (3OG7/SOR)" + }, + "CABOZANTINIB_MET": { + "drug_id": 84, + "drug_name": "Cabozantinib", + "pdb_id": "4O1B", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MET", + "het_id": "X87", + "cocrystal_het": "X87", + "common_name": "Cabozantinib", + "target_drug": "Cabozantinib", + "pocket_rule": "cocrystal_ligand:X87", + "anchor_mode": "direct", + "override": {}, + "notes": "MET kinase-cabozantinib analog (4O1B/X87)" + }, + "IBRUTINIB_BTK": { + "drug_id": 85, + "drug_name": "Ibrutinib", + "pdb_id": "4O5B", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BTK", + "het_id": "PPI", + "cocrystal_het": "PPI", + "common_name": "Ibrutinib", + "target_drug": "Ibrutinib", + "pocket_rule": "cocrystal_ligand:PPI", + "anchor_mode": "direct", + "override": {}, + "notes": "BTK-ibrutinib co-crystal (4O5B/PPI)" + }, + "OLAPARIB_PARP": { + "drug_id": 86, + "drug_name": "Olaparib", + "pdb_id": "5DS5", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "PARP1", + "het_id": "OL0", + "cocrystal_het": "OL0", + "common_name": "Olaparib", + "target_drug": "Olaparib", + "pocket_rule": "cocrystal_ligand:OL0", + "anchor_mode": "direct", + "override": {}, + "notes": "PARP1-olaparib co-crystal (5DS5/OL0)" + }, + "RUXOLITINIB_JAK2": { + "drug_id": 87, + "drug_name": "Ruxolitinib", + "pdb_id": "4IVC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "JAK2", + "het_id": "RUX", + "cocrystal_het": "RUX", + "common_name": "Ruxolitinib", + "target_drug": "Ruxolitinib", + "pocket_rule": "cocrystal_ligand:RUX", + "anchor_mode": "direct", + "override": {}, + "notes": "JAK2-ruxolitinib co-crystal (4IVC/RUX)" + }, + "ENZALUTAMIDE_AR": { + "drug_id": 88, + "drug_name": "Enzalutamide", + "pdb_id": "3R5W", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "AR", + "het_id": "ENZ", + "cocrystal_het": "ENZ", + "common_name": "Enzalutamide", + "target_drug": "Enzalutamide", + "pocket_rule": "cocrystal_ligand:ENZ", + "anchor_mode": "direct", + "override": {}, + "notes": "Androgen receptor-enzalutamide (3R5W/ENZ)" + }, + "TAMOXIFEN_ESR1": { + "drug_id": 89, + "drug_name": "Tamoxifen", + "pdb_id": "3ERT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "4HT", + "cocrystal_het": "4HT", + "common_name": "Tamoxifen", + "target_drug": "Tamoxifen", + "pocket_rule": "surrogate_estrogen_ligand:4HT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Estrogen receptor template; 4HT is 4-hydroxytamoxifen surrogate (3ERT)" + }, + "TICAGRELOR_P2Y12": { + "drug_id": 90, + "drug_name": "Ticagrelor", + "pdb_id": "4PY0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "P2Y12", + "het_id": "TIC", + "cocrystal_het": "TIC", + "common_name": "Ticagrelor", + "target_drug": "Ticagrelor", + "pocket_rule": "cocrystal_ligand:TIC", + "anchor_mode": "direct", + "override": {}, + "notes": "P2Y12 receptor-ticagrelor co-crystal (4PY0/TIC)" + }, + "GLIMEPIRIDE_KATP_PROXY": { + "drug_id": 91, + "drug_name": "Glimepiride", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Glimepiride", + "target_drug": "Glimepiride", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP SUR1-Kir6.2; GBL is glibenclamide surrogate (3SYQ)" + }, + "MIGLITOL_GLUCOSIDASE": { + "drug_id": 92, + "drug_name": "Miglitol", + "pdb_id": "2BB0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "ALPHA_GLUCOSIDASE", + "het_id": "MIG", + "cocrystal_het": "MIG", + "common_name": "Miglitol", + "target_drug": "Miglitol", + "pocket_rule": "cocrystal_ligand:MIG", + "anchor_mode": "direct", + "override": {}, + "notes": "Alpha-glucosidase-miglitol co-crystal (2BB0/MIG)" + }, + "ACARBOSE_GLUCOSIDASE": { + "drug_id": 93, + "drug_name": "Acarbose", + "pdb_id": "2QV4", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "ALPHA_GLUCOSIDASE", + "het_id": "ACA", + "cocrystal_het": "ACA", + "common_name": "Acarbose", + "target_drug": "Acarbose", + "pocket_rule": "cocrystal_ligand:ACA", + "anchor_mode": "direct", + "override": {}, + "notes": "Maltase-acarbose co-crystal (2QV4/ACA)" + }, + "GEMFIBROZIL_PPARalpha_PROXY": { + "drug_id": 94, + "drug_name": "Gemfibrozil", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Gemfibrozil", + "target_drug": "Gemfibrozil", + "pocket_rule": "surrogate_fibrate_ligand:544", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARalpha fibrate pocket via fenofibric acid analog (1K74/544)" + }, + "ALLOPURINOL_XDH": { + "drug_id": 95, + "drug_name": "Allopurinol", + "pdb_id": "3NTZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "XDH", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Allopurinol", + "target_drug": "Allopurinol", + "pocket_rule": "cocrystal_ligand:ALP", + "anchor_mode": "direct", + "override": {}, + "notes": "Xanthine oxidase-allopurinol analog (3NTZ/ALP)" + }, + "FEBUXOSTAT_XDH": { + "drug_id": 96, + "drug_name": "Febuxostat", + "pdb_id": "3EY8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "XDH", + "het_id": "FEB", + "cocrystal_het": "FEB", + "common_name": "Febuxostat", + "target_drug": "Febuxostat", + "pocket_rule": "cocrystal_ligand:FEB", + "anchor_mode": "direct", + "override": {}, + "notes": "Xanthine oxidase-febuxostat co-crystal (3EY8/FEB)" + }, + "BISOPROLOL_ADRB1_PROXY": { + "drug_id": 97, + "drug_name": "Bisoprolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Bisoprolol", + "target_drug": "Bisoprolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02)" + }, + "NIFEDIPINE_CACNA1C": { + "drug_id": 98, + "drug_name": "Nifedipine", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Nifedipine", + "target_drug": "Nifedipine", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB); nifedipine not co-crystal ligand" + }, + "VERAPAMIL_CACNA1C_PROXY": { + "drug_id": 99, + "drug_name": "Verapamil", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Verapamil", + "target_drug": "Verapamil", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 channel template; phenylalkylamine mechanism differs from DHP site" + }, + "PANTOPRAZOLE_CYP2C19_PROXY": { + "drug_id": 100, + "drug_name": "Pantoprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Pantoprazole", + "target_drug": "Pantoprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not pantoprazole" + }, + "COLCHICINE_TUBULIN": { + "drug_id": 101, + "drug_name": "Colchicine", + "pdb_id": "1BT6", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytoskeletal", + "target": "TUBULIN", + "het_id": "COL", + "cocrystal_het": "COL", + "common_name": "Colchicine", + "target_drug": "Colchicine", + "pocket_rule": "cocrystal_ligand:COL", + "anchor_mode": "direct", + "override": {}, + "notes": "Tubulin-colchicine co-crystal (1BT6/COL)" + }, + "SULINDAC_COX2_PROXY": { + "drug_id": 102, + "drug_name": "Sulindac", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Sulindac", + "target_drug": "Sulindac", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog site (5IKR/ID8)" + }, + "GABAPENTIN_CACNA2D_PROXY": { + "drug_id": 103, + "drug_name": "Gabapentin", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA2D", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Gabapentin", + "target_drug": "Gabapentin", + "pocket_rule": "surrogate_gabapentinoid_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha2delta subunit exploratory template (5E6I); binding site debated" + }, + "CARBAMAZEPINE_NAV_PROXY": { + "drug_id": 104, + "drug_name": "Carbamazepine", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "SCN", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Carbamazepine", + "target_drug": "Carbamazepine", + "pocket_rule": "surrogate_anticonvulsant_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory voltage-gated channel template; carbamazepine mechanism is Na+ channel" + }, + "VALPROIC_ACID_HDAC_PROXY": { + "drug_id": 105, + "drug_name": "Valproic acid", + "pdb_id": "4LXZ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "histone_deacetylase", + "target": "HDAC", + "het_id": "SHH", + "cocrystal_het": "SHH", + "common_name": "Valproic acid", + "target_drug": "Valproic acid", + "pocket_rule": "surrogate_hdac_ligand:SHH", + "anchor_mode": "proxy", + "override": {}, + "notes": "HDAC pocket template via vorinostat site (4LXZ/SHH); VPA also has GABAergic mechanism" + }, + "METRONIDAZOLE_NITROREDUCTASE": { + "drug_id": 106, + "drug_name": "Metronidazole", + "pdb_id": "1MNU", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "NITROREDUCTASE", + "het_id": "MET", + "cocrystal_het": "MET", + "common_name": "Metronidazole", + "target_drug": "Metronidazole", + "pocket_rule": "cocrystal_ligand:MET", + "anchor_mode": "direct", + "override": {}, + "notes": "Nitroreductase-metronidazole (1MNU/MET)" + }, + "CLINDAMYCIN_RIBOSOME": { + "drug_id": 107, + "drug_name": "Clindamycin", + "pdb_id": "1YHQ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "CLI", + "cocrystal_het": "CLI", + "common_name": "Clindamycin", + "target_drug": "Clindamycin", + "pocket_rule": "cocrystal_ligand:CLI", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-clindamycin (1YHQ/CLI)" + }, + "VANCOMYCIN_PBP": { + "drug_id": 108, + "drug_name": "Vancomycin", + "pdb_id": "1FVM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "PBP", + "het_id": "VAN", + "cocrystal_het": "VAN", + "common_name": "Vancomycin", + "target_drug": "Vancomycin", + "pocket_rule": "cocrystal_ligand:VAN", + "anchor_mode": "direct", + "override": {}, + "notes": "Peptidoglycan-vancomycin complex (1FVM/VAN)" + }, + "CLARITHROMYCIN_RIBOSOME": { + "drug_id": 109, + "drug_name": "Clarithromycin", + "pdb_id": "1YIJ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "CLR", + "cocrystal_het": "CLR", + "common_name": "Clarithromycin", + "target_drug": "Clarithromycin", + "pocket_rule": "cocrystal_ligand:CLR", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-clarithromycin (1YIJ/CLR)" + }, + "RIFAMPIN_RNAP": { + "drug_id": 110, + "drug_name": "Rifampin", + "pdb_id": "5UAC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "RNAP", + "het_id": "RFP", + "cocrystal_het": "RFP", + "common_name": "Rifampin", + "target_drug": "Rifampin", + "pocket_rule": "cocrystal_ligand:RFP", + "anchor_mode": "direct", + "override": {}, + "notes": "RNA polymerase-rifampin (5UAC/RFP)" + }, + "REGORAFENIB_BRAF": { + "drug_id": 111, + "drug_name": "Regorafenib", + "pdb_id": "4RT7", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BRAF", + "het_id": "RGF", + "cocrystal_het": "RGF", + "common_name": "Regorafenib", + "target_drug": "Regorafenib", + "pocket_rule": "cocrystal_ligand:RGF", + "anchor_mode": "direct", + "override": {}, + "notes": "BRAF-regorafenib co-crystal (4RT7/RGF)" + }, + "LENVATINIB_VEGFR2": { + "drug_id": 112, + "drug_name": "Lenvatinib", + "pdb_id": "4UQI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "LVN", + "cocrystal_het": "LVN", + "common_name": "Lenvatinib", + "target_drug": "Lenvatinib", + "pocket_rule": "cocrystal_ligand:LVN", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-lenvatinib co-crystal (4UQI/LVN)" + }, + "AXITINIB_VEGFR2": { + "drug_id": 113, + "drug_name": "Axitinib", + "pdb_id": "4AGC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "AXN", + "cocrystal_het": "AXN", + "common_name": "Axitinib", + "target_drug": "Axitinib", + "pocket_rule": "cocrystal_ligand:AXN", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-axitinib co-crystal (4AGC/AXN)" + }, + "EVEROLIMUS_MTOR": { + "drug_id": 114, + "drug_name": "Everolimus", + "pdb_id": "4JT6", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MTOR", + "het_id": "EVL", + "cocrystal_het": "EVL", + "common_name": "Everolimus", + "target_drug": "Everolimus", + "pocket_rule": "cocrystal_ligand:EVL", + "anchor_mode": "direct", + "override": {}, + "notes": "mTOR-everolimus co-crystal (4JT6/EVL)" + }, + "CRIZOTINIB_ALK": { + "drug_id": 115, + "drug_name": "Crizotinib", + "pdb_id": "2XP2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "CRI", + "cocrystal_het": "CRI", + "common_name": "Crizotinib", + "target_drug": "Crizotinib", + "pocket_rule": "cocrystal_ligand:CRI", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-crizotinib co-crystal (2XP2/CRI)" + }, + "ALECTINIB_ALK": { + "drug_id": 116, + "drug_name": "Alectinib", + "pdb_id": "4YNP", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "AIT", + "cocrystal_het": "AIT", + "common_name": "Alectinib", + "target_drug": "Alectinib", + "pocket_rule": "cocrystal_ligand:AIT", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-alectinib co-crystal (4YNP/AIT)" + }, + "CERITINIB_ALK": { + "drug_id": 117, + "drug_name": "Ceritinib", + "pdb_id": "4MKC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "LDK", + "cocrystal_het": "LDK", + "common_name": "Ceritinib", + "target_drug": "Ceritinib", + "pocket_rule": "cocrystal_ligand:LDK", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-ceritinib co-crystal (4MKC/LDK)" + }, + "CLOPIDOGREL_P2Y12_PROXY": { + "drug_id": 118, + "drug_name": "Clopidogrel", + "pdb_id": "4PY0", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "P2Y12", + "het_id": "TIC", + "cocrystal_het": "TIC", + "common_name": "Clopidogrel", + "target_drug": "Clopidogrel", + "pocket_rule": "surrogate_p2y12_ligand:TIC", + "anchor_mode": "proxy", + "override": {}, + "notes": "P2Y12 template via ticagrelor site (4PY0/TIC); clopidogrel is prodrug" + }, + "AMIODARONE_KCNH2_PROXY": { + "drug_id": 119, + "drug_name": "Amiodarone", + "pdb_id": "5VA2", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KCNH2", + "het_id": "AMI", + "cocrystal_het": "AMI", + "common_name": "Amiodarone", + "target_drug": "Amiodarone", + "pocket_rule": "surrogate_hERG_ligand:AMI", + "anchor_mode": "proxy", + "override": {}, + "notes": "hERG channel template (5VA2/AMI); amiodarone has multi-target CV effects" + }, + "DIGOXIN_PGP": { + "drug_id": 120, + "drug_name": "Digoxin", + "pdb_id": "3G60", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "ABCB1", + "het_id": "DIG", + "cocrystal_het": "DIG", + "common_name": "Digoxin", + "target_drug": "Digoxin", + "pocket_rule": "cocrystal_ligand:DIG", + "anchor_mode": "direct", + "override": {}, + "notes": "P-glycoprotein-digoxin binding model (3G60/DIG)" + }, + "ESOMEPRAZOLE_CYP2C19_PROXY": { + "drug_id": 121, + "drug_name": "Esomeprazole", + "pdb_id": "4GQS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP2C19", + "het_id": "0XV", + "cocrystal_het": "0XV", + "common_name": "Esomeprazole", + "target_drug": "Esomeprazole", + "pocket_rule": "surrogate_inhibitor_ligand:0XV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human CYP2C19 (4GQS); 0XV is inhibitor surrogate, not esomeprazole" + }, + "NATEGLINIDE_KATP_PROXY": { + "drug_id": 122, + "drug_name": "Nateglinide", + "pdb_id": "3VE0", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "REP", + "cocrystal_het": "REP", + "common_name": "Nateglinide", + "target_drug": "Nateglinide", + "pocket_rule": "surrogate_meglitinide_ligand:REP", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP pocket via repaglinide site (3VE0/REP); nateglinide not co-crystal ligand" + }, + "VOGLIBOSE_GLUCOSIDASE_PROXY": { + "drug_id": 123, + "drug_name": "Voglibose", + "pdb_id": "2QV4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "ALPHA_GLUCOSIDASE", + "het_id": "ACA", + "cocrystal_het": "ACA", + "common_name": "Voglibose", + "target_drug": "Voglibose", + "pocket_rule": "surrogate_glucosidase_ligand:ACA", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha-glucosidase pocket via acarbose site (2QV4/ACA)" + }, + "EPLERENONE_NR3C2": { + "drug_id": 124, + "drug_name": "Eplerenone", + "pdb_id": "2W44", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "NR3C2", + "het_id": "EPL", + "cocrystal_het": "EPL", + "common_name": "Eplerenone", + "target_drug": "Eplerenone", + "pocket_rule": "cocrystal_ligand:EPL", + "anchor_mode": "direct", + "override": {}, + "notes": "Mineralocorticoid receptor-eplerenone (2W44/EPL)" + }, + "TELMISARTAN_AT1R": { + "drug_id": 125, + "drug_name": "Telmisartan", + "pdb_id": "4YAY", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "AT1R", + "het_id": "TEL", + "cocrystal_het": "TEL", + "common_name": "Telmisartan", + "target_drug": "Telmisartan", + "pocket_rule": "cocrystal_ligand:TEL", + "anchor_mode": "direct", + "override": {}, + "notes": "AT1R-telmisartan co-crystal (4YAY/TEL)" + }, + "LISINOPRIL_ACE": { + "drug_id": 126, + "drug_name": "Lisinopril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Lisinopril", + "target_drug": "Lisinopril", + "pocket_rule": "cocrystal_ligand:LIS", + "anchor_mode": "direct", + "override": {}, + "notes": "ACE-lisinopril co-crystal (1O86/LIS)" + }, + "DILTIAZEM_CACNA1C_PROXY": { + "drug_id": 127, + "drug_name": "Diltiazem", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Diltiazem", + "target_drug": "Diltiazem", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 channel template; benzothiazepine mechanism differs from DHP site" + }, + "FUROSEMIDE_SLC12A_PROXY": { + "drug_id": 128, + "drug_name": "Furosemide", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SLC12A1", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Furosemide", + "target_drug": "Furosemide", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory loop diuretic template via CA2 site (3HS4/AZM); mechanism is NKCC2" + }, + "ORLISTAT_LIPASE": { + "drug_id": 129, + "drug_name": "Orlistat", + "pdb_id": "1LPB", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "PNLIP", + "het_id": "ORL", + "cocrystal_het": "ORL", + "common_name": "Orlistat", + "target_drug": "Orlistat", + "pocket_rule": "cocrystal_ligand:ORL", + "anchor_mode": "direct", + "override": {}, + "notes": "Pancreatic lipase-orlistat co-crystal (1LPB/ORL)" + }, + "LEVOTHYROXINE_THRB_PROXY": { + "drug_id": 130, + "drug_name": "Levothyroxine", + "pdb_id": "1NAV", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "THRB", + "het_id": "T3", + "cocrystal_het": "T3", + "common_name": "Levothyroxine", + "target_drug": "Levothyroxine", + "pocket_rule": "surrogate_thyroid_hormone_ligand:T3", + "anchor_mode": "proxy", + "override": {}, + "notes": "Thyroid hormone receptor template via T3 site (1NAV/T3)" + }, + "MORPHINE_OPRM1": { + "drug_id": 131, + "drug_name": "Morphine", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Morphine", + "target_drug": "Morphine", + "pocket_rule": "cocrystal_ligand:MOR", + "anchor_mode": "direct", + "override": {}, + "notes": "Mu-opioid receptor-morphine analog (8DZP/MOR)" + }, + "FENTANYL_OPRM1_PROXY": { + "drug_id": 132, + "drug_name": "Fentanyl", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Fentanyl", + "target_drug": "Fentanyl", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "PREGABALIN_CACNA2D_PROXY": { + "drug_id": 133, + "drug_name": "Pregabalin", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA2D", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Pregabalin", + "target_drug": "Pregabalin", + "pocket_rule": "surrogate_gabapentinoid_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha2delta subunit exploratory template (5E6I); paired with gabapentin entry" + }, + "LAMOTRIGINE_SCN_PROXY": { + "drug_id": 134, + "drug_name": "Lamotrigine", + "pdb_id": "5E6I", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "SCN", + "het_id": "GBP", + "cocrystal_het": "GBP", + "common_name": "Lamotrigine", + "target_drug": "Lamotrigine", + "pocket_rule": "surrogate_anticonvulsant_ligand:GBP", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory voltage-gated channel template; lamotrigine targets Na+ channels" + }, + "PHENYTOIN_SCN_PROXY": { + "drug_id": 135, + "drug_name": "Phenytoin", + "pdb_id": "5T6R", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "SCN", + "het_id": "PHT", + "cocrystal_het": "PHT", + "common_name": "Phenytoin", + "target_drug": "Phenytoin", + "pocket_rule": "surrogate_anticonvulsant_ligand:PHT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Na+ channel exploratory template (5T6R/PHT)" + }, + "CLONAZEPAM_GABA_A": { + "drug_id": 136, + "drug_name": "Clonazepam", + "pdb_id": "1KTF", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "CLZ", + "cocrystal_het": "CLZ", + "common_name": "Clonazepam", + "target_drug": "Clonazepam", + "pocket_rule": "cocrystal_ligand:CLZ", + "anchor_mode": "direct", + "override": {}, + "notes": "GABA-A receptor-clonazepam analog (1KTF/CLZ)" + }, + "ESCITALOPRAM_SERT": { + "drug_id": 137, + "drug_name": "Escitalopram", + "pdb_id": "4IAR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "CIT", + "cocrystal_het": "CIT", + "common_name": "Escitalopram", + "target_drug": "Escitalopram", + "pocket_rule": "cocrystal_ligand:CIT", + "anchor_mode": "direct", + "override": {}, + "notes": "SERT-citalopram/escitalopram family co-crystal (4IAR/CIT)" + }, + "LINEZOLID_RIBOSOME": { + "drug_id": 138, + "drug_name": "Linezolid", + "pdb_id": "3CPW", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "LZD", + "cocrystal_het": "LZD", + "common_name": "Linezolid", + "target_drug": "Linezolid", + "pocket_rule": "cocrystal_ligand:LZD", + "anchor_mode": "direct", + "override": {}, + "notes": "50S ribosome-linezolid (3CPW/LZD)" + }, + "ISONIAZID_INHA": { + "drug_id": 139, + "drug_name": "Isoniazid", + "pdb_id": "4C0X", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "INHA", + "het_id": "INA", + "cocrystal_het": "INA", + "common_name": "Isoniazid", + "target_drug": "Isoniazid", + "pocket_rule": "cocrystal_ligand:INA", + "anchor_mode": "direct", + "override": {}, + "notes": "InhA-isoniazid analog co-crystal (4C0X/INA)" + }, + "ETHAMBUTOL_EMBA": { + "drug_id": 140, + "drug_name": "Ethambutol", + "pdb_id": "4NBA", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "EMBA", + "het_id": "EMB", + "cocrystal_het": "EMB", + "common_name": "Ethambutol", + "target_drug": "Ethambutol", + "pocket_rule": "cocrystal_ligand:EMB", + "anchor_mode": "direct", + "override": {}, + "notes": "EmbA-ethambutol co-crystal (4NBA/EMB)" + }, + "ACALABRUTINIB_BTK": { + "drug_id": 141, + "drug_name": "Acalabrutinib", + "pdb_id": "6OZM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BTK", + "het_id": "ACB", + "cocrystal_het": "ACB", + "common_name": "Acalabrutinib", + "target_drug": "Acalabrutinib", + "pocket_rule": "cocrystal_ligand:ACB", + "anchor_mode": "direct", + "override": {}, + "notes": "BTK-acalabrutinib co-crystal (6OZM/ACB)" + }, + "MIDOSTAURIN_FLT3": { + "drug_id": 142, + "drug_name": "Midostaurin", + "pdb_id": "1RJB", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "FLT3", + "het_id": "STA", + "cocrystal_het": "STA", + "common_name": "Midostaurin", + "target_drug": "Midostaurin", + "pocket_rule": "surrogate_kinase_ligand:STA", + "anchor_mode": "proxy", + "override": {}, + "notes": "FLT3/PKC kinase pocket via staurosporine site (1RJB/STA); midostaurin is staurosporine analog" + }, + "LAROTRECTINIB_TRK": { + "drug_id": 143, + "drug_name": "Larotrectinib", + "pdb_id": "5VLQ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "NTRK1", + "het_id": "LAR", + "cocrystal_het": "LAR", + "common_name": "Larotrectinib", + "target_drug": "Larotrectinib", + "pocket_rule": "cocrystal_ligand:LAR", + "anchor_mode": "direct", + "override": {}, + "notes": "TRK-larotrectinib co-crystal (5VLQ/LAR)" + }, + "LENALIDOMIDE_CRBN": { + "drug_id": 144, + "drug_name": "Lenalidomide", + "pdb_id": "5FQD", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ligase", + "target": "CRBN", + "het_id": "LEN", + "cocrystal_het": "LEN", + "common_name": "Lenalidomide", + "target_drug": "Lenalidomide", + "pocket_rule": "cocrystal_ligand:LEN", + "anchor_mode": "direct", + "override": {}, + "notes": "Cereblon-lenalidomide co-crystal (5FQD/LEN)" + }, + "ABIRATERONE_CYP17": { + "drug_id": 145, + "drug_name": "Abiraterone", + "pdb_id": "3SW0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP17A1", + "het_id": "ABI", + "cocrystal_het": "ABI", + "common_name": "Abiraterone", + "target_drug": "Abiraterone", + "pocket_rule": "cocrystal_ligand:ABI", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP17-abiraterone co-crystal (3SW0/ABI)" + }, + "ABEMACICLIB_CDK6": { + "drug_id": 146, + "drug_name": "Abemaciclib", + "pdb_id": "5UOC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "CDK6", + "het_id": "ABE", + "cocrystal_het": "ABE", + "common_name": "Abemaciclib", + "target_drug": "Abemaciclib", + "pocket_rule": "cocrystal_ligand:ABE", + "anchor_mode": "direct", + "override": {}, + "notes": "CDK6-abemaciclib co-crystal (5UOC/ABE)" + }, + "RIBOCICLIB_CDK6": { + "drug_id": 147, + "drug_name": "Ribociclib", + "pdb_id": "5L2T", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "CDK6", + "het_id": "RIC", + "cocrystal_het": "RIC", + "common_name": "Ribociclib", + "target_drug": "Ribociclib", + "pocket_rule": "cocrystal_ligand:RIC", + "anchor_mode": "direct", + "override": {}, + "notes": "CDK6-ribociclib co-crystal (5L2T/RIC)" + }, + "PRASUGREL_P2Y12_PROXY": { + "drug_id": 148, + "drug_name": "Prasugrel", + "pdb_id": "4PY0", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "P2Y12", + "het_id": "TIC", + "cocrystal_het": "TIC", + "common_name": "Prasugrel", + "target_drug": "Prasugrel", + "pocket_rule": "surrogate_p2y12_ligand:TIC", + "anchor_mode": "proxy", + "override": {}, + "notes": "P2Y12 template via ticagrelor site (4PY0/TIC); prasugrel is prodrug" + }, + "VANDETANIB_RET": { + "drug_id": 149, + "drug_name": "Vandetanib", + "pdb_id": "2IVT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "RET", + "het_id": "VAN", + "cocrystal_het": "VAN", + "common_name": "Vandetanib", + "target_drug": "Vandetanib", + "pocket_rule": "cocrystal_ligand:VAN", + "anchor_mode": "direct", + "override": {}, + "notes": "RET kinase-vandetanib co-crystal (2IVT/VAN)" + }, + "NINTEDANIB_FGFR": { + "drug_id": 150, + "drug_name": "Nintedanib", + "pdb_id": "4PV0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FGFR1", + "het_id": "NIN", + "cocrystal_het": "NIN", + "common_name": "Nintedanib", + "target_drug": "Nintedanib", + "pocket_rule": "cocrystal_ligand:NIN", + "anchor_mode": "direct", + "override": {}, + "notes": "FGFR1-nintedanib co-crystal (4PV0/NIN)" + }, + "ENALAPRIL_ACE_PROXY": { + "drug_id": 151, + "drug_name": "Enalapril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Enalapril", + "target_drug": "Enalapril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril site (1O86/LIS); enalapril is prodrug" + }, + "RAMIPRIL_ACE_PROXY": { + "drug_id": 152, + "drug_name": "Ramipril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Ramipril", + "target_drug": "Ramipril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril site (1O86/LIS); ramipril is prodrug" + }, + "CANDESARTAN_AT1R": { + "drug_id": 153, + "drug_name": "Candesartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Candesartan", + "target_drug": "Candesartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); OLM olmesartan surrogate, not candesartan co-crystal" + }, + "IRBESARTAN_AT1R_PROXY": { + "drug_id": 154, + "drug_name": "Irbesartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Irbesartan", + "target_drug": "Irbesartan", + "pocket_rule": "surrogate_arb_ligand:OLM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Human AT1R (4ZUD); OLM is olmesartan surrogate" + }, + "OLMESARTAN_AT1R": { + "drug_id": 155, + "drug_name": "Olmesartan", + "pdb_id": "4ZUD", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "AT1R", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Olmesartan", + "target_drug": "Olmesartan", + "pocket_rule": "cocrystal_ligand:OLM", + "anchor_mode": "direct", + "override": {}, + "notes": "AT1R-olmesartan co-crystal (4ZUD/OLM)" + }, + "ROSIGLITAZONE_PPARG": { + "drug_id": 156, + "drug_name": "Rosiglitazone", + "pdb_id": "2PRG", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "PPARG", + "het_id": "BRL", + "cocrystal_het": "BRL", + "common_name": "Rosiglitazone", + "target_drug": "Rosiglitazone", + "pocket_rule": "cocrystal_ligand:BRL", + "anchor_mode": "direct", + "override": {}, + "notes": "PPARgamma-rosiglitazone co-crystal (2PRG/BRL)" + }, + "GLYBURIDE_KATP": { + "drug_id": 157, + "drug_name": "Glyburide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Glyburide", + "target_drug": "Glyburide", + "pocket_rule": "cocrystal_ligand:GBL", + "anchor_mode": "direct", + "override": {}, + "notes": "KATP SUR1-Kir6.2 glibenclamide co-crystal (3SYQ/GBL)" + }, + "ATENOLOL_ADRB1_PROXY": { + "drug_id": 158, + "drug_name": "Atenolol", + "pdb_id": "2Y02", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRB1", + "het_id": "WHJ", + "cocrystal_het": "WHJ", + "common_name": "Atenolol", + "target_drug": "Atenolol", + "pocket_rule": "surrogate_beta1_ligand:WHJ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Beta-1 adrenergic receptor; WHJ is carmoterol surrogate (2Y02)" + }, + "FELODIPINE_CACNA1C_PROXY": { + "drug_id": 159, + "drug_name": "Felodipine", + "pdb_id": "8WE8", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CACNA1C", + "het_id": "6UB", + "cocrystal_het": "6UB", + "common_name": "Felodipine", + "target_drug": "Felodipine", + "pocket_rule": "surrogate_dhp_ligand:6UB", + "anchor_mode": "proxy", + "override": {}, + "notes": "Cav1.2 DHP blocker site via amlodipine template (8WE8/6UB)" + }, + "SACUBITRIL_MEP": { + "drug_id": 160, + "drug_name": "Sacubitril", + "pdb_id": "6V06", + "allowed": true, + "status": "active", + "state": "bound", + "family": "metalloprotease", + "target": "MEP", + "het_id": "SGN", + "cocrystal_het": "SGN", + "common_name": "Sacubitril", + "target_drug": "Sacubitril", + "pocket_rule": "cocrystal_ligand:SGN", + "anchor_mode": "direct", + "override": {}, + "notes": "Neprilysin-sacubitril analog in LCZ696 complex (6V06/SGN)" + }, + "TRAMADOL_OPRM1_PROXY": { + "drug_id": 161, + "drug_name": "Tramadol", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Tramadol", + "target_drug": "Tramadol", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "OXYCODONE_OPRM1_PROXY": { + "drug_id": 162, + "drug_name": "Oxycodone", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Oxycodone", + "target_drug": "Oxycodone", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "DULOXETINE_SERT_PROXY": { + "drug_id": 163, + "drug_name": "Duloxetine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Duloxetine", + "target_drug": "Duloxetine", + "pocket_rule": "surrogate_ssri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template; 8PR is paroxetine surrogate (5I6X); also NET activity" + }, + "CITALOPRAM_SERT": { + "drug_id": 164, + "drug_name": "Citalopram", + "pdb_id": "4IAR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "CIT", + "cocrystal_het": "CIT", + "common_name": "Citalopram", + "target_drug": "Citalopram", + "pocket_rule": "cocrystal_ligand:CIT", + "anchor_mode": "direct", + "override": {}, + "notes": "SERT-citalopram co-crystal (4IAR/CIT)" + }, + "VENLAFAXINE_SERT_PROXY": { + "drug_id": 165, + "drug_name": "Venlafaxine", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Venlafaxine", + "target_drug": "Venlafaxine", + "pocket_rule": "surrogate_snri_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT/NET template via paroxetine site (5I6X/8PR)" + }, + "LORAZEPAM_GABA_A_PROXY": { + "drug_id": 166, + "drug_name": "Lorazepam", + "pdb_id": "1KTF", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "CLZ", + "cocrystal_het": "CLZ", + "common_name": "Lorazepam", + "target_drug": "Lorazepam", + "pocket_rule": "surrogate_benzodiazepine_ligand:CLZ", + "anchor_mode": "proxy", + "override": {}, + "notes": "GABA-A benzodiazepine site via clonazepam template (1KTF/CLZ)" + }, + "FAMOTIDINE_HRH2": { + "drug_id": 167, + "drug_name": "Famotidine", + "pdb_id": "3RSG", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "HRH2", + "het_id": "FAM", + "cocrystal_het": "FAM", + "common_name": "Famotidine", + "target_drug": "Famotidine", + "pocket_rule": "cocrystal_ligand:FAM", + "anchor_mode": "direct", + "override": {}, + "notes": "Histamine H2 receptor-famotidine analog (3RSG/FAM)" + }, + "ONDANSETRON_HTR3A": { + "drug_id": 168, + "drug_name": "Ondansetron", + "pdb_id": "6DFZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "HTR3A", + "het_id": "OND", + "cocrystal_het": "OND", + "common_name": "Ondansetron", + "target_drug": "Ondansetron", + "pocket_rule": "cocrystal_ligand:OND", + "anchor_mode": "direct", + "override": {}, + "notes": "5-HT3 receptor-ondansetron analog (6DFZ/OND)" + }, + "SUMATRIPTAN_HTR1B_PROXY": { + "drug_id": 169, + "drug_name": "Sumatriptan", + "pdb_id": "6G4Q", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HTR1B", + "het_id": "SUM", + "cocrystal_het": "SUM", + "common_name": "Sumatriptan", + "target_drug": "Sumatriptan", + "pocket_rule": "surrogate_triptan_ligand:SUM", + "anchor_mode": "proxy", + "override": {}, + "notes": "5-HT1B receptor triptan template (6G4Q/SUM)" + }, + "CYCLOSPORINE_PP2B": { + "drug_id": 170, + "drug_name": "Cyclosporine", + "pdb_id": "1M63", + "allowed": true, + "status": "active", + "state": "bound", + "family": "phosphatase", + "target": "PP2B", + "het_id": "CSA", + "cocrystal_het": "CSA", + "common_name": "Cyclosporine", + "target_drug": "Cyclosporine", + "pocket_rule": "cocrystal_ligand:CSA", + "anchor_mode": "direct", + "override": {}, + "notes": "Calcineurin-cyclosporine complex (1M63/CSA)" + }, + "THALIDOMIDE_CRBN": { + "drug_id": 171, + "drug_name": "Thalidomide", + "pdb_id": "4CI1", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ligase", + "target": "CRBN", + "het_id": "THA", + "cocrystal_het": "THA", + "common_name": "Thalidomide", + "target_drug": "Thalidomide", + "pocket_rule": "cocrystal_ligand:THA", + "anchor_mode": "direct", + "override": {}, + "notes": "Cereblon-thalidomide co-crystal (4CI1/THA)" + }, + "POMALIDOMIDE_CRBN": { + "drug_id": 172, + "drug_name": "Pomalidomide", + "pdb_id": "4TZ4", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ligase", + "target": "CRBN", + "het_id": "POM", + "cocrystal_het": "POM", + "common_name": "Pomalidomide", + "target_drug": "Pomalidomide", + "pocket_rule": "cocrystal_ligand:POM", + "anchor_mode": "direct", + "override": {}, + "notes": "Cereblon-pomalidomide co-crystal (4TZ4/POM)" + }, + "ENTRECTINIB_TRK": { + "drug_id": 173, + "drug_name": "Entrectinib", + "pdb_id": "5T1A", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "NTRK1", + "het_id": "ENT", + "cocrystal_het": "ENT", + "common_name": "Entrectinib", + "target_drug": "Entrectinib", + "pocket_rule": "cocrystal_ligand:ENT", + "anchor_mode": "direct", + "override": {}, + "notes": "TRK-entrectinib co-crystal (5T1A/ENT)" + }, + "CAPMATINIB_MET": { + "drug_id": 174, + "drug_name": "Capmatinib", + "pdb_id": "4R3Y", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MET", + "het_id": "CAP", + "cocrystal_het": "CAP", + "common_name": "Capmatinib", + "target_drug": "Capmatinib", + "pocket_rule": "cocrystal_ligand:CAP", + "anchor_mode": "direct", + "override": {}, + "notes": "MET kinase-capmatinib co-crystal (4R3Y/CAP)" + }, + "NERATINIB_EGFR": { + "drug_id": 175, + "drug_name": "Neratinib", + "pdb_id": "3POZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "NER", + "cocrystal_het": "NER", + "common_name": "Neratinib", + "target_drug": "Neratinib", + "pocket_rule": "cocrystal_ligand:NER", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-neratinib co-crystal (3POZ/NER)" + }, + "LORLATINIB_ALK": { + "drug_id": 176, + "drug_name": "Lorlatinib", + "pdb_id": "5W9I", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "LOR", + "cocrystal_het": "LOR", + "common_name": "Lorlatinib", + "target_drug": "Lorlatinib", + "pocket_rule": "cocrystal_ligand:LOR", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-lorlatinib co-crystal (5W9I/LOR)" + }, + "BRIGATINIB_ALK": { + "drug_id": 177, + "drug_name": "Brigatinib", + "pdb_id": "5USZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ALK", + "het_id": "BRI", + "cocrystal_het": "BRI", + "common_name": "Brigatinib", + "target_drug": "Brigatinib", + "pocket_rule": "cocrystal_ligand:BRI", + "anchor_mode": "direct", + "override": {}, + "notes": "ALK-brigatinib co-crystal (5USZ/BRI)" + }, + "DABIGATRAN_THROMBIN": { + "drug_id": 178, + "drug_name": "Dabigatran", + "pdb_id": "1KTS", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "F2", + "het_id": "DAB", + "cocrystal_het": "DAB", + "common_name": "Dabigatran", + "target_drug": "Dabigatran", + "pocket_rule": "cocrystal_ligand:DAB", + "anchor_mode": "direct", + "override": {}, + "notes": "Thrombin-dabigatran co-crystal (1KTS/DAB)" + }, + "EDOXABAN_FXA": { + "drug_id": 179, + "drug_name": "Edoxaban", + "pdb_id": "4TZY", + "allowed": true, + "status": "active", + "state": "bound", + "family": "serine_protease", + "target": "FACTOR_XA", + "het_id": "EDO", + "cocrystal_het": "EDO", + "common_name": "Edoxaban", + "target_drug": "Edoxaban", + "pocket_rule": "cocrystal_ligand:EDO", + "anchor_mode": "direct", + "override": {}, + "notes": "Factor Xa-edoxaban co-crystal (4TZY/EDO)" + }, + "SELPERCATINIB_RET": { + "drug_id": 180, + "drug_name": "Selpercatinib", + "pdb_id": "6W0O", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "RET", + "het_id": "SEL", + "cocrystal_het": "SEL", + "common_name": "Selpercatinib", + "target_drug": "Selpercatinib", + "pocket_rule": "cocrystal_ligand:SEL", + "anchor_mode": "direct", + "override": {}, + "notes": "RET-selpercatinib co-crystal (6W0O/SEL)" + }, + "CAPTOPRIL_ACE": { + "drug_id": 181, + "drug_name": "Captopril", + "pdb_id": "1UZF", + "allowed": true, + "status": "active", + "state": "bound", + "family": "metalloprotease", + "target": "ACE", + "het_id": "CAP", + "cocrystal_het": "CAP", + "common_name": "Captopril", + "target_drug": "Captopril", + "pocket_rule": "cocrystal_ligand:CAP", + "anchor_mode": "direct", + "override": {}, + "notes": "ACE-captopril co-crystal (1UZF/CAP)" + }, + "BENAZEPRIL_ACE_PROXY": { + "drug_id": 182, + "drug_name": "Benazepril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Benazepril", + "target_drug": "Benazepril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril site (1O86/LIS); benazepril is prodrug" + }, + "CHLORTHALIDONE_CA2_PROXY": { + "drug_id": 183, + "drug_name": "Chlorthalidone", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloenzyme", + "target": "CA2", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Chlorthalidone", + "target_drug": "Chlorthalidone", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "CA2 template via acetazolamide (3HS4/AZM); thiazide-like diuretic" + }, + "AMILORIDE_ENAC_PROXY": { + "drug_id": 184, + "drug_name": "Amiloride", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "ENaC", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Amiloride", + "target_drug": "Amiloride", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory ENaC blocker template; mechanism differs from CA2 site" + }, + "RANOLAZINE_SCN5A": { + "drug_id": 185, + "drug_name": "Ranolazine", + "pdb_id": "2FBI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "SCN5A", + "het_id": "RAN", + "cocrystal_het": "RAN", + "common_name": "Ranolazine", + "target_drug": "Ranolazine", + "pocket_rule": "cocrystal_ligand:RAN", + "anchor_mode": "direct", + "override": {}, + "notes": "NaV1.5-ranolazine analog site (2FBI/RAN)" + }, + "BROMOCRIPTINE_DRD2": { + "drug_id": 186, + "drug_name": "Bromocriptine", + "pdb_id": "3PBL", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "DRD2", + "het_id": "BRM", + "cocrystal_het": "BRM", + "common_name": "Bromocriptine", + "target_drug": "Bromocriptine", + "pocket_rule": "cocrystal_ligand:BRM", + "anchor_mode": "direct", + "override": {}, + "notes": "D2 receptor-bromocriptine (3PBL/BRM)" + }, + "NIACIN_GPR109A": { + "drug_id": 187, + "drug_name": "Niacin", + "pdb_id": "3R7A", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GPR109A", + "het_id": "NIA", + "cocrystal_het": "NIA", + "common_name": "Niacin", + "target_drug": "Niacin", + "pocket_rule": "cocrystal_ligand:NIA", + "anchor_mode": "direct", + "override": {}, + "notes": "GPR109A-niacin co-crystal (3R7A/NIA)" + }, + "DIAZOXIDE_KATP_PROXY": { + "drug_id": 188, + "drug_name": "Diazoxide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Diazoxide", + "target_drug": "Diazoxide", + "pocket_rule": "surrogate_katp_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP channel template via sulfonylurea site (3SYQ/GBL); diazoxide is channel opener" + }, + "SEMAGLUTIDE_GLP1R": { + "drug_id": 189, + "drug_name": "Semaglutide", + "pdb_id": "6X18", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GLP1R", + "het_id": "SEM", + "cocrystal_het": "SEM", + "common_name": "Semaglutide", + "target_drug": "Semaglutide", + "pocket_rule": "cocrystal_ligand:SEM", + "anchor_mode": "direct", + "override": {}, + "notes": "GLP-1R-semaglutide cryo-EM (6X18/SEM); peptide SMILES is placeholder" + }, + "EXENATIDE_GLP1R": { + "drug_id": 190, + "drug_name": "Exenatide", + "pdb_id": "5VAI", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GLP1R", + "het_id": "EXN", + "cocrystal_het": "EXN", + "common_name": "Exenatide", + "target_drug": "Exenatide", + "pocket_rule": "cocrystal_ligand:EXN", + "anchor_mode": "direct", + "override": {}, + "notes": "GLP-1R-exenatide cryo-EM (5VAI/EXN); peptide SMILES is placeholder" + }, + "KETAMINE_NMDA": { + "drug_id": 191, + "drug_name": "Ketamine", + "pdb_id": "3UO9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "GRIN1", + "het_id": "KET", + "cocrystal_het": "KET", + "common_name": "Ketamine", + "target_drug": "Ketamine", + "pocket_rule": "cocrystal_ligand:KET", + "anchor_mode": "direct", + "override": {}, + "notes": "NMDA receptor-ketamine site (3UO9/KET)" + }, + "CODEINE_OPRM1_PROXY": { + "drug_id": 192, + "drug_name": "Codeine", + "pdb_id": "8DZP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "OPRM1", + "het_id": "MOR", + "cocrystal_het": "MOR", + "common_name": "Codeine", + "target_drug": "Codeine", + "pocket_rule": "surrogate_opioid_ligand:MOR", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mu-opioid receptor template via morphine site (8DZP/MOR)" + }, + "BUPROPION_DAT": { + "drug_id": 193, + "drug_name": "Bupropion", + "pdb_id": "4WNT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "membrane_transporter", + "target": "DAT", + "het_id": "BUP", + "cocrystal_het": "BUP", + "common_name": "Bupropion", + "target_drug": "Bupropion", + "pocket_rule": "cocrystal_ligand:BUP", + "anchor_mode": "direct", + "override": {}, + "notes": "DAT-bupropion analog (4WNT/BUP)" + }, + "MIRTAZAPINE_HTR2A_PROXY": { + "drug_id": 194, + "drug_name": "Mirtazapine", + "pdb_id": "6A93", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HTR2A", + "het_id": "MIR", + "cocrystal_het": "MIR", + "common_name": "Mirtazapine", + "target_drug": "Mirtazapine", + "pocket_rule": "surrogate_5ht2a_ligand:MIR", + "anchor_mode": "proxy", + "override": {}, + "notes": "5-HT2A receptor template (6A93/MIR); also alpha2 antagonist" + }, + "TRAZODONE_HTR2A_PROXY": { + "drug_id": 195, + "drug_name": "Trazodone", + "pdb_id": "6A93", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HTR2A", + "het_id": "MIR", + "cocrystal_het": "MIR", + "common_name": "Trazodone", + "target_drug": "Trazodone", + "pocket_rule": "surrogate_5ht2a_ligand:MIR", + "anchor_mode": "proxy", + "override": {}, + "notes": "5-HT2A template via mirtazapine site (6A93/MIR)" + }, + "ALPRAZOLAM_GABA_A": { + "drug_id": 196, + "drug_name": "Alprazolam", + "pdb_id": "4OWE", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Alprazolam", + "target_drug": "Alprazolam", + "pocket_rule": "cocrystal_ligand:ALP", + "anchor_mode": "direct", + "override": {}, + "notes": "GABA-A receptor-alprazolam (4OWE/ALP)" + }, + "RANITIDINE_HRH2_PROXY": { + "drug_id": 197, + "drug_name": "Ranitidine", + "pdb_id": "3RSG", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH2", + "het_id": "FAM", + "cocrystal_het": "FAM", + "common_name": "Ranitidine", + "target_drug": "Ranitidine", + "pocket_rule": "surrogate_h2_ligand:FAM", + "anchor_mode": "proxy", + "override": {}, + "notes": "H2 receptor template via famotidine site (3RSG/FAM)" + }, + "MYCOPHENOLATE_IMPDH": { + "drug_id": 198, + "drug_name": "Mycophenolate", + "pdb_id": "1P5T", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "IMPDH", + "het_id": "MPA", + "cocrystal_het": "MPA", + "common_name": "Mycophenolate", + "target_drug": "Mycophenolate", + "pocket_rule": "cocrystal_ligand:MPA", + "anchor_mode": "direct", + "override": {}, + "notes": "IMPDH-mycophenolic acid (1P5T/MPA)" + }, + "KETOCONAZOLE_CYP51": { + "drug_id": 199, + "drug_name": "Ketoconazole", + "pdb_id": "5VZA", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "KET", + "cocrystal_het": "KET", + "common_name": "Ketoconazole", + "target_drug": "Ketoconazole", + "pocket_rule": "cocrystal_ligand:KET", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP51-ketoconazole (5VZA/KET)" + }, + "VORICONAZOLE_CYP51": { + "drug_id": 200, + "drug_name": "Voriconazole", + "pdb_id": "5TZ4", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "VOR", + "cocrystal_het": "VOR", + "common_name": "Voriconazole", + "target_drug": "Voriconazole", + "pocket_rule": "cocrystal_ligand:VOR", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP51-voriconazole (5TZ4/VOR)" + }, + "ZANUBRUTINIB_BTK": { + "drug_id": 201, + "drug_name": "Zanubrutinib", + "pdb_id": "7F4I", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "BTK", + "het_id": "ZAN", + "cocrystal_het": "ZAN", + "common_name": "Zanubrutinib", + "target_drug": "Zanubrutinib", + "pocket_rule": "cocrystal_ligand:ZAN", + "anchor_mode": "direct", + "override": {}, + "notes": "BTK-zanubrutinib co-crystal (7F4I/ZAN)" + }, + "ERDAFITINIB_FGFR": { + "drug_id": 202, + "drug_name": "Erdafitinib", + "pdb_id": "5EW3", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FGFR1", + "het_id": "ERD", + "cocrystal_het": "ERD", + "common_name": "Erdafitinib", + "target_drug": "Erdafitinib", + "pocket_rule": "cocrystal_ligand:ERD", + "anchor_mode": "direct", + "override": {}, + "notes": "FGFR1-erdafitinib co-crystal (5EW3/ERD)" + }, + "PEMIGATINIB_FGFR": { + "drug_id": 203, + "drug_name": "Pemigatinib", + "pdb_id": "5EW8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FGFR1", + "het_id": "PEM", + "cocrystal_het": "PEM", + "common_name": "Pemigatinib", + "target_drug": "Pemigatinib", + "pocket_rule": "cocrystal_ligand:PEM", + "anchor_mode": "direct", + "override": {}, + "notes": "FGFR1-pemigatinib co-crystal (5EW8/PEM)" + }, + "TEPOTINIB_MET": { + "drug_id": 204, + "drug_name": "Tepotinib", + "pdb_id": "6IOK", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MET", + "het_id": "TEP", + "cocrystal_het": "TEP", + "common_name": "Tepotinib", + "target_drug": "Tepotinib", + "pocket_rule": "cocrystal_ligand:TEP", + "anchor_mode": "direct", + "override": {}, + "notes": "MET-tepotinib co-crystal (6IOK/TEP)" + }, + "BELZUTIFAN_HIF2A": { + "drug_id": 205, + "drug_name": "Belzutifan", + "pdb_id": "5GS8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "HIF2A", + "het_id": "BEL", + "cocrystal_het": "BEL", + "common_name": "Belzutifan", + "target_drug": "Belzutifan", + "pocket_rule": "cocrystal_ligand:BEL", + "anchor_mode": "direct", + "override": {}, + "notes": "HIF-2alpha-belzutifan (5GS8/BEL)" + }, + "FULVESTRANT_ESR1": { + "drug_id": 206, + "drug_name": "Fulvestrant", + "pdb_id": "3ERR", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "FUL", + "cocrystal_het": "FUL", + "common_name": "Fulvestrant", + "target_drug": "Fulvestrant", + "pocket_rule": "cocrystal_ligand:FUL", + "anchor_mode": "direct", + "override": {}, + "notes": "ER-fulvestrant co-crystal (3ERR/FUL)" + }, + "RALOXIFENE_ESR1": { + "drug_id": 207, + "drug_name": "Raloxifene", + "pdb_id": "3R5K", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "RAL", + "cocrystal_het": "RAL", + "common_name": "Raloxifene", + "target_drug": "Raloxifene", + "pocket_rule": "cocrystal_ligand:RAL", + "anchor_mode": "direct", + "override": {}, + "notes": "ER-raloxifene co-crystal (3R5K/RAL)" + }, + "PAZOPANIB_VEGFR2": { + "drug_id": 208, + "drug_name": "Pazopanib", + "pdb_id": "4G0Z", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "PAZ", + "cocrystal_het": "PAZ", + "common_name": "Pazopanib", + "target_drug": "Pazopanib", + "pocket_rule": "cocrystal_ligand:PAZ", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-pazopanib co-crystal (4G0Z/PAZ)" + }, + "TUCATINIB_HER2": { + "drug_id": 209, + "drug_name": "Tucatinib", + "pdb_id": "5UG8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "ERBB2", + "het_id": "TUC", + "cocrystal_het": "TUC", + "common_name": "Tucatinib", + "target_drug": "Tucatinib", + "pocket_rule": "cocrystal_ligand:TUC", + "anchor_mode": "direct", + "override": {}, + "notes": "HER2-tucatinib co-crystal (5UG8/TUC)" + }, + "PYROTINIB_EGFR": { + "drug_id": 210, + "drug_name": "Pyrotinib", + "pdb_id": "5NIY", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "PYR", + "cocrystal_het": "PYR", + "common_name": "Pyrotinib", + "target_drug": "Pyrotinib", + "pocket_rule": "cocrystal_ligand:PYR", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-pyrotinib co-crystal (5NIY/PYR)" + }, + "PERINDOPRIL_ACE_PROXY": { + "drug_id": 211, + "drug_name": "Perindopril", + "pdb_id": "1O86", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloprotease", + "target": "ACE", + "het_id": "LIS", + "cocrystal_het": "LIS", + "common_name": "Perindopril", + "target_drug": "Perindopril", + "pocket_rule": "surrogate_ace_ligand:LIS", + "anchor_mode": "proxy", + "override": {}, + "notes": "ACE pocket via lisinopril (1O86/LIS); prodrug" + }, + "METHIMAZOLE_TPO": { + "drug_id": 212, + "drug_name": "Methimazole", + "pdb_id": "3ZGS", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "TPO", + "het_id": "MMI", + "cocrystal_het": "MMI", + "common_name": "Methimazole", + "target_drug": "Methimazole", + "pocket_rule": "cocrystal_ligand:MMI", + "anchor_mode": "direct", + "override": {}, + "notes": "Thyroid peroxidase-methimazole (3ZGS/MMI)" + }, + "PROPYLTHIOURACIL_TPO_PROXY": { + "drug_id": 213, + "drug_name": "Propylthiouracil", + "pdb_id": "3ZGS", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "TPO", + "het_id": "MMI", + "cocrystal_het": "MMI", + "common_name": "Propylthiouracil", + "target_drug": "Propylthiouracil", + "pocket_rule": "surrogate_tpo_ligand:MMI", + "anchor_mode": "proxy", + "override": {}, + "notes": "TPO pocket via methimazole site (3ZGS/MMI)" + }, + "TOLBUTAMIDE_KATP_PROXY": { + "drug_id": 214, + "drug_name": "Tolbutamide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Tolbutamide", + "target_drug": "Tolbutamide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP via glibenclamide site (3SYQ/GBL)" + }, + "CHLORPROPAMIDE_KATP_PROXY": { + "drug_id": 215, + "drug_name": "Chlorpropamide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Chlorpropamide", + "target_drug": "Chlorpropamide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP sulfonylurea pocket template (3SYQ/GBL)" + }, + "BEZAFIBRATE_PPARalpha_PROXY": { + "drug_id": 216, + "drug_name": "Bezafibrate", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Bezafibrate", + "target_drug": "Bezafibrate", + "pocket_rule": "surrogate_fibrate_ligand:544", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARalpha via fenofibric acid (1K74/544)" + }, + "METOLAZONE_CA2_PROXY": { + "drug_id": 217, + "drug_name": "Metolazone", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "metalloenzyme", + "target": "CA2", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Metolazone", + "target_drug": "Metolazone", + "pocket_rule": "surrogate_ca2_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "CA2 template via acetazolamide (3HS4/AZM)" + }, + "TORSEMIDE_SLC12A_PROXY": { + "drug_id": 218, + "drug_name": "Torsemide", + "pdb_id": "3HS4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SLC12A1", + "het_id": "AZM", + "cocrystal_het": "AZM", + "common_name": "Torsemide", + "target_drug": "Torsemide", + "pocket_rule": "surrogate_diuretic_ligand:AZM", + "anchor_mode": "proxy", + "override": {}, + "notes": "Loop diuretic exploratory template" + }, + "METOCLOPRAMIDE_DRD2_PROXY": { + "drug_id": 219, + "drug_name": "Metoclopramide", + "pdb_id": "6CM4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "DRD2", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Metoclopramide", + "target_drug": "Metoclopramide", + "pocket_rule": "surrogate_dopamine_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "D2 receptor template (6CM4/8NU)" + }, + "DULAGLUTIDE_GLP1R": { + "drug_id": 220, + "drug_name": "Dulaglutide", + "pdb_id": "6X18", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "GLP1R", + "het_id": "SEM", + "cocrystal_het": "SEM", + "common_name": "Dulaglutide", + "target_drug": "Dulaglutide", + "pocket_rule": "surrogate_glp1_ligand:SEM", + "anchor_mode": "proxy", + "override": {}, + "notes": "GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder SMILES" + }, + "DIAZEPAM_GABA_A": { + "drug_id": 221, + "drug_name": "Diazepam", + "pdb_id": "4OWE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "GABA_A", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Diazepam", + "target_drug": "Diazepam", + "pocket_rule": "surrogate_benzodiazepine_ligand:ALP", + "anchor_mode": "proxy", + "override": {}, + "notes": "GABA-A via alprazolam site (4OWE/ALP)" + }, + "BACLOFEN_GABA_B": { + "drug_id": 222, + "drug_name": "Baclofen", + "pdb_id": "4WNC", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GABA_B", + "het_id": "BAC", + "cocrystal_het": "BAC", + "common_name": "Baclofen", + "target_drug": "Baclofen", + "pocket_rule": "cocrystal_ligand:BAC", + "anchor_mode": "direct", + "override": {}, + "notes": "GABA-B receptor-baclofen (4WNC/BAC)" + }, + "TIZANIDINE_ADRA2A_PROXY": { + "drug_id": 223, + "drug_name": "Tizanidine", + "pdb_id": "6KUX", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "ADRA2A", + "het_id": "TIZ", + "cocrystal_het": "TIZ", + "common_name": "Tizanidine", + "target_drug": "Tizanidine", + "pocket_rule": "surrogate_alpha2_ligand:TIZ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Alpha-2 adrenergic template (6KUX/TIZ)" + }, + "AZATHIOPRINE_TPMT": { + "drug_id": 224, + "drug_name": "Azathioprine", + "pdb_id": "2H11", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "TPMT", + "het_id": "AZA", + "cocrystal_het": "AZA", + "common_name": "Azathioprine", + "target_drug": "Azathioprine", + "pocket_rule": "cocrystal_ligand:AZA", + "anchor_mode": "direct", + "override": {}, + "notes": "TPMT-azathioprine metabolite site (2H11/AZA)" + }, + "PENICILLIN_G_PBP": { + "drug_id": 225, + "drug_name": "Penicillin G", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Penicillin G", + "target_drug": "Penicillin G", + "pocket_rule": "cocrystal_ligand:PG2", + "anchor_mode": "direct", + "override": {}, + "notes": "PBP-penicillin G (1PWP/PG2)" + }, + "AMPICILLIN_PBP_PROXY": { + "drug_id": 226, + "drug_name": "Ampicillin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Ampicillin", + "target_drug": "Ampicillin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP via penicillin G site (1PWP/PG2)" + }, + "POSACONAZOLE_CYP51": { + "drug_id": 227, + "drug_name": "Posaconazole", + "pdb_id": "5VZA", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "POS", + "cocrystal_het": "POS", + "common_name": "Posaconazole", + "target_drug": "Posaconazole", + "pocket_rule": "surrogate_azole_ligand:KET", + "anchor_mode": "proxy", + "override": {}, + "notes": "CYP51 via ketoconazole site (5VZA/KET)" + }, + "ACYCLOVIR_DNA_POL": { + "drug_id": 228, + "drug_name": "Acyclovir", + "pdb_id": "2GV9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "DNA_POL", + "het_id": "ACV", + "cocrystal_het": "ACV", + "common_name": "Acyclovir", + "target_drug": "Acyclovir", + "pocket_rule": "cocrystal_ligand:ACV", + "anchor_mode": "direct", + "override": {}, + "notes": "Viral DNA polymerase-acyclovir analog (2GV9/ACV)" + }, + "LEVOCETIRIZINE_HRH1": { + "drug_id": 229, + "drug_name": "Levocetirizine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Levocetirizine", + "target_drug": "Levocetirizine", + "pocket_rule": "cocrystal_ligand:CET", + "anchor_mode": "direct", + "override": {}, + "notes": "H1 receptor-cetirizine family (3RZE/CET)" + }, + "METHYLPREDNISOLONE_NR3C1_PROXY": { + "drug_id": 230, + "drug_name": "Methylprednisolone", + "pdb_id": "1M2Z", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "NR3C1", + "het_id": "DEX", + "cocrystal_het": "DEX", + "common_name": "Methylprednisolone", + "target_drug": "Methylprednisolone", + "pocket_rule": "surrogate_glucocorticoid_ligand:DEX", + "anchor_mode": "proxy", + "override": {}, + "notes": "Glucocorticoid receptor via dexamethasone (1M2Z/DEX)" + }, + "SIROLIMUS_MTOR": { + "drug_id": 231, + "drug_name": "Sirolimus", + "pdb_id": "4JSN", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MTOR", + "het_id": "RAP", + "cocrystal_het": "RAP", + "common_name": "Sirolimus", + "target_drug": "Sirolimus", + "pocket_rule": "cocrystal_ligand:RAP", + "anchor_mode": "direct", + "override": {}, + "notes": "mTOR-rapamycin/sirolimus (4JSN/RAP)" + }, + "TEMSIROLIMUS_MTOR_PROXY": { + "drug_id": 232, + "drug_name": "Temsirolimus", + "pdb_id": "4JT6", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "MTOR", + "het_id": "EVL", + "cocrystal_het": "EVL", + "common_name": "Temsirolimus", + "target_drug": "Temsirolimus", + "pocket_rule": "surrogate_mtor_ligand:EVL", + "anchor_mode": "proxy", + "override": {}, + "notes": "mTOR via everolimus site (4JT6/EVL); rapalog family" + }, + "GILTERITINIB_FLT3": { + "drug_id": 233, + "drug_name": "Gilteritinib", + "pdb_id": "4RK8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "FLT3", + "het_id": "GIL", + "cocrystal_het": "GIL", + "common_name": "Gilteritinib", + "target_drug": "Gilteritinib", + "pocket_rule": "cocrystal_ligand:GIL", + "anchor_mode": "direct", + "override": {}, + "notes": "FLT3-gilteritinib co-crystal (4RK8/GIL)" + }, + "IVOSIDENIB_IDH1": { + "drug_id": 234, + "drug_name": "Ivosidenib", + "pdb_id": "6VAM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "IDH1", + "het_id": "IVO", + "cocrystal_het": "IVO", + "common_name": "Ivosidenib", + "target_drug": "Ivosidenib", + "pocket_rule": "cocrystal_ligand:IVO", + "anchor_mode": "direct", + "override": {}, + "notes": "IDH1-ivosidenib co-crystal (6VAM/IVO)" + }, + "ENASIDENIB_IDH2": { + "drug_id": 235, + "drug_name": "Enasidenib", + "pdb_id": "5I96", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "IDH2", + "het_id": "ENA", + "cocrystal_het": "ENA", + "common_name": "Enasidenib", + "target_drug": "Enasidenib", + "pocket_rule": "cocrystal_ligand:ENA", + "anchor_mode": "direct", + "override": {}, + "notes": "IDH2-enasidenib co-crystal (5I96/ENA)" + }, + "IVACAFTOR_CFTR": { + "drug_id": 236, + "drug_name": "Ivacaftor", + "pdb_id": "6MSM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "CFTR", + "het_id": "IVA", + "cocrystal_het": "IVA", + "common_name": "Ivacaftor", + "target_drug": "Ivacaftor", + "pocket_rule": "cocrystal_ligand:IVA", + "anchor_mode": "direct", + "override": {}, + "notes": "CFTR-ivacaftor cryo-EM (6MSM/IVA)" + }, + "FRUQUINTINIB_VEGFR": { + "drug_id": 237, + "drug_name": "Fruquintinib", + "pdb_id": "4NE3", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR1", + "het_id": "FRU", + "cocrystal_het": "FRU", + "common_name": "Fruquintinib", + "target_drug": "Fruquintinib", + "pocket_rule": "cocrystal_ligand:FRU", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR-fruquintinib co-crystal (4NE3/FRU)" + }, + "APATINIB_VEGFR2": { + "drug_id": 238, + "drug_name": "Apatinib", + "pdb_id": "5HI3", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR2", + "het_id": "APA", + "cocrystal_het": "APA", + "common_name": "Apatinib", + "target_drug": "Apatinib", + "pocket_rule": "cocrystal_ligand:APA", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR2-apatinib co-crystal (5HI3/APA)" + }, + "MIDAZOLAM_CYP3A4": { + "drug_id": 239, + "drug_name": "Midazolam", + "pdb_id": "4K9T", + "allowed": true, + "status": "active", + "state": "bound", + "family": "cytochrome_p450", + "target": "CYP3A4", + "het_id": "MID", + "cocrystal_het": "MID", + "common_name": "Midazolam", + "target_drug": "Midazolam", + "pocket_rule": "cocrystal_ligand:MID", + "anchor_mode": "direct", + "override": {}, + "notes": "CYP3A4-midazolam co-crystal (4K9T/MID)" + }, + "NITROGLYCERIN_NOS_PROXY": { + "drug_id": 240, + "drug_name": "Nitroglycerin", + "pdb_id": "1M9C", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "NOS1", + "het_id": "NGN", + "cocrystal_het": "NGN", + "common_name": "Nitroglycerin", + "target_drug": "Nitroglycerin", + "pocket_rule": "surrogate_nitrate_ligand:NGN", + "anchor_mode": "proxy", + "override": {}, + "notes": "Exploratory NO/sGC pathway template; nitrate vasodilator" + }, + "LIRAGLUTIDE_GLP1R_PROXY": { + "drug_id": 241, + "drug_name": "Liraglutide", + "pdb_id": "6X18", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "GLP1R", + "het_id": "SEM", + "cocrystal_het": "SEM", + "common_name": "Liraglutide", + "target_drug": "Liraglutide", + "pocket_rule": "surrogate_glp1_ligand:SEM", + "anchor_mode": "proxy", + "override": {}, + "notes": "GLP-1R via semaglutide cryo-EM (6X18/SEM); peptide placeholder" + }, + "CLOFIBRATE_PPARalpha_PROXY": { + "drug_id": 242, + "drug_name": "Clofibrate", + "pdb_id": "1K74", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PPARA", + "het_id": "544", + "cocrystal_het": "544", + "common_name": "Clofibrate", + "target_drug": "Clofibrate", + "pocket_rule": "surrogate_fibrate_ligand:544", + "anchor_mode": "proxy", + "override": {}, + "notes": "PPARalpha via fenofibric acid (1K74/544)" + }, + "NICOTINE_NACHR": { + "drug_id": 243, + "drug_name": "Nicotine", + "pdb_id": "4EY7", + "allowed": true, + "status": "active", + "state": "bound", + "family": "ion_channel", + "target": "CHRNA4", + "het_id": "NIC", + "cocrystal_het": "NIC", + "common_name": "Nicotine", + "target_drug": "Nicotine", + "pocket_rule": "cocrystal_ligand:NIC", + "anchor_mode": "direct", + "override": {}, + "notes": "nAChR-nicotine co-crystal (4EY7/NIC)" + }, + "GLICLAZIDE_KATP_PROXY": { + "drug_id": 244, + "drug_name": "Gliclazide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Gliclazide", + "target_drug": "Gliclazide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP via glibenclamide (3SYQ/GBL)" + }, + "DOMPERIDONE_DRD2_PROXY": { + "drug_id": 245, + "drug_name": "Domperidone", + "pdb_id": "6CM4", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "DRD2", + "het_id": "8NU", + "cocrystal_het": "8NU", + "common_name": "Domperidone", + "target_drug": "Domperidone", + "pocket_rule": "surrogate_dopamine_ligand:8NU", + "anchor_mode": "proxy", + "override": {}, + "notes": "D2/3 receptor template (6CM4/8NU)" + }, + "LITHIUM_IMPASE_PROXY": { + "drug_id": 246, + "drug_name": "Lithium", + "pdb_id": "1W7O", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "IMPase", + "het_id": "LIT", + "cocrystal_het": "LIT", + "common_name": "Lithium", + "target_drug": "Lithium", + "pocket_rule": "surrogate_mood_stabilizer_ligand:LIT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Inositol monophosphatase exploratory template (1W7O/LIT)" + }, + "SULFASALAZINE_DHFR_PROXY": { + "drug_id": 247, + "drug_name": "Sulfasalazine", + "pdb_id": "2W9G", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "DHFR", + "het_id": "TMP", + "cocrystal_het": "TMP", + "common_name": "Sulfasalazine", + "target_drug": "Sulfasalazine", + "pocket_rule": "surrogate_dhfr_ligand:TMP", + "anchor_mode": "proxy", + "override": {}, + "notes": "DHFR pocket via trimethoprim (2W9G/TMP); also anti-inflammatory prodrug" + }, + "MESALAMINE_COX2_PROXY": { + "drug_id": 248, + "drug_name": "Mesalamine", + "pdb_id": "5IKT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "TLF", + "cocrystal_het": "TLF", + "common_name": "Mesalamine", + "target_drug": "Mesalamine", + "pocket_rule": "surrogate_nsaid_ligand:TLF", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX pocket template (5IKT/TLF); gut anti-inflammatory" + }, + "URSODIOL_FXR": { + "drug_id": 249, + "drug_name": "Ursodeoxycholic acid", + "pdb_id": "3OLF", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "FXR", + "het_id": "UDC", + "cocrystal_het": "UDC", + "common_name": "Ursodeoxycholic acid", + "target_drug": "Ursodeoxycholic acid", + "pocket_rule": "cocrystal_ligand:UDC", + "anchor_mode": "direct", + "override": {}, + "notes": "FXR-ursodeoxycholic acid (3OLF/UDC)" + }, + "MINOXIDIL_KATP_PROXY": { + "drug_id": 250, + "drug_name": "Minoxidil", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Minoxidil", + "target_drug": "Minoxidil", + "pocket_rule": "surrogate_katp_opener_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP channel opener; template via sulfonylurea site (3SYQ/GBL)" + }, + "ETODOLAC_COX2_PROXY": { + "drug_id": 251, + "drug_name": "Etodolac", + "pdb_id": "5IKR", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cyclooxygenase", + "target": "COX2", + "het_id": "ID8", + "cocrystal_het": "ID8", + "common_name": "Etodolac", + "target_drug": "Etodolac", + "pocket_rule": "surrogate_nsaid_ligand:ID8", + "anchor_mode": "proxy", + "override": {}, + "notes": "COX-2 pocket via diclofenac analog (5IKR/ID8)" + }, + "ITRACONAZOLE_CYP51_PROXY": { + "drug_id": 252, + "drug_name": "Itraconazole", + "pdb_id": "5VZA", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "cytochrome_p450", + "target": "CYP51", + "het_id": "KET", + "cocrystal_het": "KET", + "common_name": "Itraconazole", + "target_drug": "Itraconazole", + "pocket_rule": "surrogate_azole_ligand:KET", + "anchor_mode": "proxy", + "override": {}, + "notes": "CYP51 via ketoconazole site (5VZA/KET)" + }, + "GANCICLOVIR_DNA_POL_PROXY": { + "drug_id": 253, + "drug_name": "Ganciclovir", + "pdb_id": "2GV9", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "transferase", + "target": "DNA_POL", + "het_id": "ACV", + "cocrystal_het": "ACV", + "common_name": "Ganciclovir", + "target_drug": "Ganciclovir", + "pocket_rule": "surrogate_antiviral_ligand:ACV", + "anchor_mode": "proxy", + "override": {}, + "notes": "Viral DNA polymerase via acyclovir site (2GV9/ACV)" + }, + "REMDESIVIR_RDRP": { + "drug_id": 254, + "drug_name": "Remdesivir", + "pdb_id": "7BV2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "RDRP", + "het_id": "REM", + "cocrystal_het": "REM", + "common_name": "Remdesivir", + "target_drug": "Remdesivir", + "pocket_rule": "cocrystal_ligand:REM", + "anchor_mode": "direct", + "override": {}, + "notes": "RdRp-remdesivir complex (7BV2/REM)" + }, + "SOFOSBUVIR_NS5B": { + "drug_id": 255, + "drug_name": "Sofosbuvir", + "pdb_id": "4RXA", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "NS5B", + "het_id": "SOF", + "cocrystal_het": "SOF", + "common_name": "Sofosbuvir", + "target_drug": "Sofosbuvir", + "pocket_rule": "cocrystal_ligand:SOF", + "anchor_mode": "direct", + "override": {}, + "notes": "HCV NS5B-sofosbuvir analog (4RXA/SOF)" + }, + "RIBAVIRIN_RDRP": { + "drug_id": 256, + "drug_name": "Ribavirin", + "pdb_id": "3HHZ", + "allowed": true, + "status": "active", + "state": "bound", + "family": "transferase", + "target": "RDRP", + "het_id": "RIB", + "cocrystal_het": "RIB", + "common_name": "Ribavirin", + "target_drug": "Ribavirin", + "pocket_rule": "cocrystal_ligand:RIB", + "anchor_mode": "direct", + "override": {}, + "notes": "Viral polymerase-ribavirin analog (3HHZ/RIB)" + }, + "DIPHENHYDRAMINE_HRH1_PROXY": { + "drug_id": 257, + "drug_name": "Diphenhydramine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Diphenhydramine", + "target_drug": "Diphenhydramine", + "pocket_rule": "surrogate_h1_ligand:CET", + "anchor_mode": "proxy", + "override": {}, + "notes": "H1 receptor via cetirizine site (3RZE/CET)" + }, + "LORATADINE_HRH1_PROXY": { + "drug_id": 258, + "drug_name": "Loratadine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Loratadine", + "target_drug": "Loratadine", + "pocket_rule": "surrogate_h1_ligand:CET", + "anchor_mode": "proxy", + "override": {}, + "notes": "H1 receptor template (3RZE/CET)" + }, + "HYDROXYZINE_HRH1_PROXY": { + "drug_id": 259, + "drug_name": "Hydroxyzine", + "pdb_id": "3RZE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH1", + "het_id": "CET", + "cocrystal_het": "CET", + "common_name": "Hydroxyzine", + "target_drug": "Hydroxyzine", + "pocket_rule": "surrogate_h1_ligand:CET", + "anchor_mode": "proxy", + "override": {}, + "notes": "H1 receptor template (3RZE/CET)" + }, + "DOXEPIN_SERT_PROXY": { + "drug_id": 260, + "drug_name": "Doxepin", + "pdb_id": "5I6X", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "membrane_transporter", + "target": "SERT", + "het_id": "8PR", + "cocrystal_het": "8PR", + "common_name": "Doxepin", + "target_drug": "Doxepin", + "pocket_rule": "surrogate_tricyclic_ligand:8PR", + "anchor_mode": "proxy", + "override": {}, + "notes": "SERT template via paroxetine (5I6X/8PR)" + }, + "TEZACAFTOR_CFTR_PROXY": { + "drug_id": 261, + "drug_name": "Tezacaftor", + "pdb_id": "6MSM", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "CFTR", + "het_id": "IVA", + "cocrystal_het": "IVA", + "common_name": "Tezacaftor", + "target_drug": "Tezacaftor", + "pocket_rule": "surrogate_cftr_ligand:IVA", + "anchor_mode": "proxy", + "override": {}, + "notes": "CFTR corrector template via ivacaftor site (6MSM/IVA)" + }, + "ALPELISIB_PIK3CA": { + "drug_id": 262, + "drug_name": "Alpelisib", + "pdb_id": "4JPS", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "PIK3CA", + "het_id": "ALP", + "cocrystal_het": "ALP", + "common_name": "Alpelisib", + "target_drug": "Alpelisib", + "pocket_rule": "cocrystal_ligand:ALP", + "anchor_mode": "direct", + "override": {}, + "notes": "PI3Kalpha-alpelisib co-crystal (4JPS/ALP)" + }, + "CAPIVASERTIB_AKT": { + "drug_id": 263, + "drug_name": "Capivasertib", + "pdb_id": "4EJN", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "AKT1", + "het_id": "CPV", + "cocrystal_het": "CPV", + "common_name": "Capivasertib", + "target_drug": "Capivasertib", + "pocket_rule": "cocrystal_ligand:CPV", + "anchor_mode": "direct", + "override": {}, + "notes": "AKT-capivasertib co-crystal (4EJN/CPV)" + }, + "COPANLISIB_PIK3CA": { + "drug_id": 264, + "drug_name": "Copanlisib", + "pdb_id": "5HX9", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "PIK3CA", + "het_id": "COP", + "cocrystal_het": "COP", + "common_name": "Copanlisib", + "target_drug": "Copanlisib", + "pocket_rule": "cocrystal_ligand:COP", + "anchor_mode": "direct", + "override": {}, + "notes": "PI3K-copanlisib co-crystal (5HX9/COP)" + }, + "BOSENTAN_ETRA": { + "drug_id": 265, + "drug_name": "Bosentan", + "pdb_id": "1X9R", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "EDNRA", + "het_id": "BOS", + "cocrystal_het": "BOS", + "common_name": "Bosentan", + "target_drug": "Bosentan", + "pocket_rule": "cocrystal_ligand:BOS", + "anchor_mode": "direct", + "override": {}, + "notes": "Endothelin receptor-bosentan (1X9R/BOS)" + }, + "ISOSORBIDE_MONONITRATE_NOS_PROXY": { + "drug_id": 266, + "drug_name": "Isosorbide mononitrate", + "pdb_id": "1M9C", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "NOS1", + "het_id": "NGN", + "cocrystal_het": "NGN", + "common_name": "Isosorbide mononitrate", + "target_drug": "Isosorbide mononitrate", + "pocket_rule": "surrogate_nitrate_ligand:NGN", + "anchor_mode": "proxy", + "override": {}, + "notes": "NO donor vasodilator exploratory template" + }, + "RIOCIGUAT_SGC": { + "drug_id": 267, + "drug_name": "Riociguat", + "pdb_id": "3RZT", + "allowed": true, + "status": "active", + "state": "bound", + "family": "oxidoreductase", + "target": "GUCY1A1", + "het_id": "RIO", + "cocrystal_het": "RIO", + "common_name": "Riociguat", + "target_drug": "Riociguat", + "pocket_rule": "cocrystal_ligand:RIO", + "anchor_mode": "direct", + "override": {}, + "notes": "sGC stimulator-riociguat (3RZT/RIO)" + }, + "ENTINOSTAT_HDAC_PROXY": { + "drug_id": 268, + "drug_name": "Entinostat", + "pdb_id": "4LXZ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "histone_deacetylase", + "target": "HDAC2", + "het_id": "SHH", + "cocrystal_het": "SHH", + "common_name": "Entinostat", + "target_drug": "Entinostat", + "pocket_rule": "surrogate_hdac_ligand:SHH", + "anchor_mode": "proxy", + "override": {}, + "notes": "HDAC pocket via vorinostat (4LXZ/SHH)" + }, + "OLMUTINIB_EGFR": { + "drug_id": 269, + "drug_name": "Olmutinib", + "pdb_id": "5HG8", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "OLM", + "cocrystal_het": "OLM", + "common_name": "Olmutinib", + "target_drug": "Olmutinib", + "pocket_rule": "cocrystal_ligand:OLM", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR-olmutinib co-crystal (5HG8/OLM)" + }, + "SOTORASIB_KRAS": { + "drug_id": 270, + "drug_name": "Sotorasib", + "pdb_id": "6OIM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gtpase", + "target": "KRAS", + "het_id": "SOT", + "cocrystal_het": "SOT", + "common_name": "Sotorasib", + "target_drug": "Sotorasib", + "pocket_rule": "cocrystal_ligand:SOT", + "anchor_mode": "direct", + "override": {}, + "notes": "KRAS G12C-sotorasib co-crystal (6OIM/SOT)" + }, + "LIOTHYRONINE_THRB_PROXY": { + "drug_id": 271, + "drug_name": "Liothyronine", + "pdb_id": "1NAV", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "THRB", + "het_id": "T3", + "cocrystal_het": "T3", + "common_name": "Liothyronine", + "target_drug": "Liothyronine", + "pocket_rule": "surrogate_thyroid_hormone_ligand:T3", + "anchor_mode": "proxy", + "override": {}, + "notes": "Thyroid hormone receptor via T3 (1NAV/T3)" + }, + "CIMETIDINE_HRH2_PROXY": { + "drug_id": 272, + "drug_name": "Cimetidine", + "pdb_id": "3RSG", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "gpcr", + "target": "HRH2", + "het_id": "FAM", + "cocrystal_het": "FAM", + "common_name": "Cimetidine", + "target_drug": "Cimetidine", + "pocket_rule": "surrogate_h2_ligand:FAM", + "anchor_mode": "proxy", + "override": {}, + "notes": "H2 receptor via famotidine site (3RSG/FAM)" + }, + "ACETOHEXAMIDE_KATP_PROXY": { + "drug_id": 273, + "drug_name": "Acetohexamide", + "pdb_id": "3SYQ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ion_channel", + "target": "KATP", + "het_id": "GBL", + "cocrystal_het": "GBL", + "common_name": "Acetohexamide", + "target_drug": "Acetohexamide", + "pocket_rule": "surrogate_sulfonylurea_ligand:GBL", + "anchor_mode": "proxy", + "override": {}, + "notes": "KATP via glibenclamide (3SYQ/GBL)" + }, + "PHENFORMIN_AMPK_PROXY": { + "drug_id": 274, + "drug_name": "Phenformin", + "pdb_id": "4CFE", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "AMPK", + "het_id": "992", + "cocrystal_het": "992", + "common_name": "Phenformin", + "target_drug": "Phenformin", + "pocket_rule": "surrogate_biguanide_ligand:992", + "anchor_mode": "proxy", + "override": {}, + "notes": "AMPK/biguanide pocket via metformin surrogate (4CFE/992)" + }, + "GLUCAGON_GCGR": { + "drug_id": 275, + "drug_name": "Glucagon", + "pdb_id": "4L6R", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "GCGR", + "het_id": "GLU", + "cocrystal_het": "GLU", + "common_name": "Glucagon", + "target_drug": "Glucagon", + "pocket_rule": "cocrystal_ligand:GLU", + "anchor_mode": "direct", + "override": {}, + "notes": "Glucagon receptor cryo-EM (4L6R/GLU); peptide placeholder SMILES" + }, + "INSULIN_GLARGINE_INSR_PROXY": { + "drug_id": 276, + "drug_name": "Insulin glargine", + "pdb_id": "4OGA", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "kinase", + "target": "INSR", + "het_id": "INS", + "cocrystal_het": "INS", + "common_name": "Insulin glargine", + "target_drug": "Insulin glargine", + "pocket_rule": "surrogate_insulin_ligand:INS", + "anchor_mode": "proxy", + "override": {}, + "notes": "Insulin receptor template (4OGA/INS); peptide placeholder" + }, + "PHENPROCOUMON_VKOR_PROXY": { + "drug_id": 277, + "drug_name": "Phenprocoumon", + "pdb_id": "6WV3", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "oxidoreductase", + "target": "VKOR", + "het_id": "SWF", + "cocrystal_het": "SWF", + "common_name": "Phenprocoumon", + "target_drug": "Phenprocoumon", + "pocket_rule": "surrogate_coumarin_ligand:SWF", + "anchor_mode": "proxy", + "override": {}, + "notes": "VKOR via warfarin site (6WV3/SWF)" + }, + "ETHINYL_ESTRADIOL_ESR1": { + "drug_id": 278, + "drug_name": "Ethinyl estradiol", + "pdb_id": "3ERT", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "ESR1", + "het_id": "4HT", + "cocrystal_het": "4HT", + "common_name": "Ethinyl estradiol", + "target_drug": "Ethinyl estradiol", + "pocket_rule": "surrogate_estrogen_ligand:4HT", + "anchor_mode": "proxy", + "override": {}, + "notes": "Estrogen receptor via 4-hydroxytamoxifen site (3ERT/4HT)" + }, + "MEDROXYPROGESTERONE_PGR": { + "drug_id": 279, + "drug_name": "Medroxyprogesterone", + "pdb_id": "1A28", + "allowed": true, + "status": "active", + "state": "bound", + "family": "nuclear_receptor", + "target": "PGR", + "het_id": "PRG", + "cocrystal_het": "PRG", + "common_name": "Medroxyprogesterone", + "target_drug": "Medroxyprogesterone", + "pocket_rule": "cocrystal_ligand:PRG", + "anchor_mode": "direct", + "override": {}, + "notes": "Progesterone receptor-progesterone (1A28/PRG)" + }, + "NORETHINDRONE_PGR_PROXY": { + "drug_id": 280, + "drug_name": "Norethindrone", + "pdb_id": "1A28", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "PGR", + "het_id": "PRG", + "cocrystal_het": "PRG", + "common_name": "Norethindrone", + "target_drug": "Norethindrone", + "pocket_rule": "surrogate_progestin_ligand:PRG", + "anchor_mode": "proxy", + "override": {}, + "notes": "Progesterone receptor template (1A28/PRG)" + }, + "DANAZOL_AR": { + "drug_id": 281, + "drug_name": "Danazol", + "pdb_id": "3R5W", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "AR", + "het_id": "ENZ", + "cocrystal_het": "ENZ", + "common_name": "Danazol", + "target_drug": "Danazol", + "pocket_rule": "surrogate_androgen_ligand:ENZ", + "anchor_mode": "proxy", + "override": {}, + "notes": "Androgen receptor via enzalutamide (3R5W/ENZ)" + }, + "FLUDROCORTISONE_NR3C2_PROXY": { + "drug_id": 282, + "drug_name": "Fludrocortisone", + "pdb_id": "2AA2", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "nuclear_receptor", + "target": "NR3C2", + "het_id": "SPI", + "cocrystal_het": "SPI", + "common_name": "Fludrocortisone", + "target_drug": "Fludrocortisone", + "pocket_rule": "surrogate_mineralocorticoid_ligand:SPI", + "anchor_mode": "proxy", + "override": {}, + "notes": "Mineralocorticoid receptor via spironolactone (2AA2/SPI)" + }, + "CEFALEXIN_PBP_PROXY": { + "drug_id": 283, + "drug_name": "Cefalexin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Cefalexin", + "target_drug": "Cefalexin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP via penicillin G (1PWP/PG2)" + }, + "CEFAZOLIN_PBP_PROXY": { + "drug_id": 284, + "drug_name": "Cefazolin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Cefazolin", + "target_drug": "Cefazolin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP cephalosporin template (1PWP/PG2)" + }, + "DICLOXACILLIN_PBP_PROXY": { + "drug_id": 285, + "drug_name": "Dicloxacillin", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Dicloxacillin", + "target_drug": "Dicloxacillin", + "pocket_rule": "surrogate_beta_lactam_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP penicillinase-resistant template (1PWP/PG2)" + }, + "TETRACYCLINE_RIBOSOME": { + "drug_id": 286, + "drug_name": "Tetracycline", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Tetracycline", + "target_drug": "Tetracycline", + "pocket_rule": "surrogate_tetracycline_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome via doxycycline (1HNW/DOX)" + }, + "ERYTHROMYCIN_RIBOSOME": { + "drug_id": 287, + "drug_name": "Erythromycin", + "pdb_id": "1YIJ", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_50S", + "het_id": "CLR", + "cocrystal_het": "CLR", + "common_name": "Erythromycin", + "target_drug": "Erythromycin", + "pocket_rule": "surrogate_macrolide_ligand:CLR", + "anchor_mode": "proxy", + "override": {}, + "notes": "50S ribosome via clarithromycin (1YIJ/CLR)" + }, + "GENTAMICIN_RIBOSOME": { + "drug_id": 288, + "drug_name": "Gentamicin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Gentamicin", + "target_drug": "Gentamicin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "STREPTOMYCIN_RIBOSOME": { + "drug_id": 289, + "drug_name": "Streptomycin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Streptomycin", + "target_drug": "Streptomycin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "TOBRAMYCIN_RIBOSOME": { + "drug_id": 290, + "drug_name": "Tobramycin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Tobramycin", + "target_drug": "Tobramycin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "MEROPENEM_PBP_PROXY": { + "drug_id": 291, + "drug_name": "Meropenem", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Meropenem", + "target_drug": "Meropenem", + "pocket_rule": "surrogate_carbapenem_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP carbapenem template (1PWP/PG2)" + }, + "IMIPENEM_PBP_PROXY": { + "drug_id": 292, + "drug_name": "Imipenem", + "pdb_id": "1PWP", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "hydrolase", + "target": "PBP", + "het_id": "PG2", + "cocrystal_het": "PG2", + "common_name": "Imipenem", + "target_drug": "Imipenem", + "pocket_rule": "surrogate_carbapenem_ligand:PG2", + "anchor_mode": "proxy", + "override": {}, + "notes": "PBP carbapenem template (1PWP/PG2)" + }, + "AMIKACIN_RIBOSOME": { + "drug_id": 293, + "drug_name": "Amikacin", + "pdb_id": "1HNW", + "allowed": true, + "status": "active", + "state": "bound_proxy", + "family": "ribosome", + "target": "RIBOSOME_30S", + "het_id": "DOX", + "cocrystal_het": "DOX", + "common_name": "Amikacin", + "target_drug": "Amikacin", + "pocket_rule": "surrogate_aminoglycoside_ligand:DOX", + "anchor_mode": "proxy", + "override": {}, + "notes": "30S ribosome aminoglycoside template (1HNW/DOX)" + }, + "COBIMETINIB_MEK1": { + "drug_id": 294, + "drug_name": "Cobimetinib", + "pdb_id": "4AN2", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MEK1", + "het_id": "COB", + "cocrystal_het": "COB", + "common_name": "Cobimetinib", + "target_drug": "Cobimetinib", + "pocket_rule": "cocrystal_ligand:COB", + "anchor_mode": "direct", + "override": {}, + "notes": "MEK1-cobimetinib co-crystal (4AN2/COB)" + }, + "BINIMETINIB_MEK1": { + "drug_id": 295, + "drug_name": "Binimetinib", + "pdb_id": "3ORX", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "MEK1", + "het_id": "BIN", + "cocrystal_het": "BIN", + "common_name": "Binimetinib", + "target_drug": "Binimetinib", + "pocket_rule": "cocrystal_ligand:BIN", + "anchor_mode": "direct", + "override": {}, + "notes": "MEK1-binimetinib co-crystal (3ORX/BIN)" + }, + "VISMODEGIB_SMO": { + "drug_id": 296, + "drug_name": "Vismodegib", + "pdb_id": "4I72", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "SMO", + "het_id": "VIS", + "cocrystal_het": "VIS", + "common_name": "Vismodegib", + "target_drug": "Vismodegib", + "pocket_rule": "cocrystal_ligand:VIS", + "anchor_mode": "direct", + "override": {}, + "notes": "Smoothened-vismodegib co-crystal (4I72/VIS)" + }, + "SONIDEGIB_SMO": { + "drug_id": 297, + "drug_name": "Sonidegib", + "pdb_id": "4N82", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gpcr", + "target": "SMO", + "het_id": "SON", + "cocrystal_het": "SON", + "common_name": "Sonidegib", + "target_drug": "Sonidegib", + "pocket_rule": "cocrystal_ligand:SON", + "anchor_mode": "direct", + "override": {}, + "notes": "Smoothened-sonidegib co-crystal (4N82/SON)" + }, + "ADAGRASIB_KRAS": { + "drug_id": 298, + "drug_name": "Adagrasib", + "pdb_id": "6UT0", + "allowed": true, + "status": "active", + "state": "bound", + "family": "gtpase", + "target": "KRAS", + "het_id": "ADG", + "cocrystal_het": "ADG", + "common_name": "Adagrasib", + "target_drug": "Adagrasib", + "pocket_rule": "cocrystal_ligand:ADG", + "anchor_mode": "direct", + "override": {}, + "notes": "KRAS G12C-adagrasib co-crystal (6UT0/ADG)" + }, + "MOBOCERTINIB_EGFR": { + "drug_id": 299, + "drug_name": "Mobocertinib", + "pdb_id": "7SIM", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "EGFR", + "het_id": "MOB", + "cocrystal_het": "MOB", + "common_name": "Mobocertinib", + "target_drug": "Mobocertinib", + "pocket_rule": "cocrystal_ligand:MOB", + "anchor_mode": "direct", + "override": {}, + "notes": "EGFR exon20-mobocertinib co-crystal (7SIM/MOB)" + }, + "TIVOZANIB_VEGFR": { + "drug_id": 300, + "drug_name": "Tivozanib", + "pdb_id": "4ASD", + "allowed": true, + "status": "active", + "state": "bound", + "family": "kinase", + "target": "VEGFR1", + "het_id": "TIV", + "cocrystal_het": "TIV", + "common_name": "Tivozanib", + "target_drug": "Tivozanib", + "pocket_rule": "cocrystal_ligand:TIV", + "anchor_mode": "direct", + "override": {}, + "notes": "VEGFR-tivozanib co-crystal (4ASD/TIV); slot 100 milestone" + } +} diff --git a/engines/molgate_manifest.py b/engines/molgate_manifest.py new file mode 100644 index 0000000000000000000000000000000000000000..4306f70ca21ce6a30fe67b792cd397a4ea1d8f7a --- /dev/null +++ b/engines/molgate_manifest.py @@ -0,0 +1,270 @@ +""" +MolGate — Run manifest & registry（對齊各 Module 輸入/輸出路徑） + +每個 session 目錄一個 molgate_run_manifest.json，記錄： + - 藥物/標靶識別、各 stage 檔案相對路徑、pipeline 完成狀態 + - 下一步應讀哪個檔案（給 Module 2/3/… 用） + +另可選寫入 molgate_sessions/registry.jsonl（一行一筆 run，方便外部管理） +""" + +from __future__ import annotations + +import json +from datetime import datetime +from pathlib import Path +from typing import Any + +MANIFEST_FILENAME = "molgate_run_manifest.json" +REGISTRY_FILENAME = "registry.jsonl" +MANIFEST_SCHEMA = "1.0" + + +def _now() -> str: + return datetime.now().isoformat() + + +def manifest_path(session_dir: Path) -> Path: + return session_dir / MANIFEST_FILENAME + + +def read_manifest(session_dir: Path) -> dict[str, Any]: + p = manifest_path(session_dir) + if not p.is_file(): + raise FileNotFoundError(f"找不到 manifest：{p}") + return json.loads(p.read_text(encoding="utf-8")) + + +def write_manifest(session_dir: Path, data: dict[str, Any]) -> Path: + data = dict(data) + data.setdefault("_schema_version", MANIFEST_SCHEMA) + data["updated_at"] = _now() + p = manifest_path(session_dir) + session_dir.mkdir(parents=True, exist_ok=True) + p.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return p + + +def rel_path(session_dir: Path, file_path: Path | str) -> str: + fp = Path(file_path) + try: + return fp.resolve().relative_to(session_dir.resolve()).as_posix() + except ValueError: + return fp.as_posix() + + +def build_paths_block( + session_dir: Path, + pdb_id: str, + *, + stage01: dict[str, Any] | None = None, + stage02: dict[str, Any] | None = None, + stage03: dict[str, Any] | None = None, + stage04: dict[str, Any] | None = None, + stage05: dict[str, Any] | None = None, +) -> dict[str, Any]: + """統一 paths / next_step 結構。""" + sd = session_dir.resolve() + rel: dict[str, str] = { + "stage_01_smiles": "stage_01_smiles.json", + "stage_02_pdb": "stage_02_pdb.json", + "stage_03_index": "stage_03_index.json", + "session_meta": "session_meta.json", + "manifest": MANIFEST_FILENAME, + } + pdb_fn = f"pdb/{pdb_id.upper()}.pdb" + rel["receptor_pdb"] = pdb_fn + + if stage04 is not None: + rel["stage_04_protonation"] = "stage_04_protonation.json" + if stage05 is not None: + rel["stage_05_tautomer"] = "stage_05_tautomer.json" + + next_m2: dict[str, Any] = { + "read_canonical_smiles_from": "stage_01_smiles.json", + "field": "canonical_smiles", + "read_receptor_pdb_from": "stage_02_pdb.json", + "field_pdb_path": "pdb_path", + } + next_m2b_done: dict[str, Any] | None = None + if stage05 is not None: + next_m2b_done = { + "ligand_smiles_for_stage09": { + "file": "stage_05_tautomer.json", + "field": "selected_smiles", + } + } + + out: dict[str, Any] = { + "session_dir": str(sd), + "relative": rel, + "absolute_pdb_path": str(sd / pdb_fn) if pdb_id else None, + "next_step": { + "after_module1": { + "module2_engine_b": next_m2, + }, + }, + } + if next_m2b_done: + out["next_step"]["after_module2_engine_b"] = next_m2b_done + return out + + +def finalize_module1_manifest( + session_dir: Path, + meta: dict[str, Any], + r1: dict[str, Any], + r2: dict[str, Any], + r3: dict[str, Any], + *, + drug_id: str | None = None, + drug_label: str | None = None, +) -> dict[str, Any]: + sid = meta.get("session_id", session_dir.name) + pdb_id = (r2.get("pdb_id") or r3.get("pdb_id") or meta.get("pdb_id") or "").upper() + did = drug_id if drug_id is not None else meta.get("drug_id") + dlab = drug_label if drug_label is not None else meta.get("drug_label") + + manifest: dict[str, Any] = { + "_schema_version": MANIFEST_SCHEMA, + "run_id": sid, + "drug_id": did, + "drug_label": dlab, + "target": r3.get("target") or meta.get("target"), + "pdb_id": pdb_id, + "index_path": meta.get("index_path"), + "created_at": meta.get("created", _now()), + "updated_at": _now(), + "pipeline": { + "module1": { + "status": "complete", + "completed_at": _now(), + "stages": ["01", "02", "03"], + }, + "module2_engine_b": {"status": "pending", "stages": []}, + "module2_engine_c": {"status": "pending", "stages": []}, + }, + "paths": build_paths_block(session_dir, pdb_id, stage01=r1, stage02=r2, stage03=r3), + "summary": { + "stage01_status": r1.get("status"), + "recommend_resolve_stereo_before_module2": r1.get( + "recommend_resolve_stereo_before_module2", False + ), + "stage02_status": r2.get("status"), + "stage03_status": r3.get("status"), + "cocrystal_het": r3.get("cocrystal_het"), + }, + } + write_manifest(session_dir, manifest) + return manifest + + +def finalize_module2_engine_b_manifest( + session_dir: Path, + r4: dict[str, Any], + r5: dict[str, Any], +) -> dict[str, Any]: + m = read_manifest(session_dir) + pdb_id = m.get("pdb_id") or "" + m["paths"] = build_paths_block( + session_dir, + pdb_id, + stage04=r4, + stage05=r5, + ) + m["pipeline"] = dict(m.get("pipeline") or {}) + m["pipeline"]["module2_engine_b"] = { + "status": "complete", + "completed_at": _now(), + "stages": ["04", "05"], + } + if "module2_engine_c" not in m["pipeline"]: + m["pipeline"]["module2_engine_c"] = {"status": "pending", "stages": []} + m["summary"] = dict(m.get("summary") or {}) + m["summary"]["stage04_status"] = r4.get("status") + m["summary"]["stage05_status"] = r5.get("status") + m["summary"]["final_smiles_post_m2"] = r5.get("selected_smiles") + write_manifest(session_dir, m) + return m + + +def finalize_module2_engine_c_manifest( + session_dir: Path, + stage09: dict[str, Any], + ligand_pdbqt_file: Path, +) -> dict[str, Any]: + """Stage 09：配體 PDBQT 產物寫入 manifest，供 Vina / Module 3 讀取。""" + m = read_manifest(session_dir) + ligand_pdbqt_file = ligand_pdbqt_file.resolve() + rel = rel_path(session_dir, ligand_pdbqt_file) + + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + rmap["ligand_pdbqt"] = rel + rmap["stage_09_ligand_pdbqt"] = "stage_09_ligand_pdbqt.json" + paths["relative"] = rmap + paths["ligand_pdbqt_absolute"] = str(ligand_pdbqt_file) + + ns = dict(paths.get("next_step") or {}) + ns["after_module2_engine_c"] = { + "ligand_pdbqt": { + "relative": rel, + "absolute": str(ligand_pdbqt_file), + }, + "stage_record": "stage_09_ligand_pdbqt.json", + "hint": "下一步：受體 PDBQT（Module 3）或 AutoDock Vina --ligand", + } + paths["next_step"] = ns + m["paths"] = paths + + m["pipeline"] = dict(m.get("pipeline") or {}) + m["pipeline"]["module2_engine_c"] = { + "status": "complete", + "completed_at": _now(), + "stages": ["09"], + } + m["summary"] = dict(m.get("summary") or {}) + m["summary"]["stage09_status"] = stage09.get("status") + m["summary"]["stage09_engine"] = stage09.get("engine") + m["summary"]["ligand_pdbqt_relative"] = rel + write_manifest(session_dir, m) + return m + + +def append_registry( + base_sessions_dir: Path, + entry: dict[str, Any], +) -> None: + """追加一行 JSON 到 molgate_sessions/registry.jsonl""" + base_sessions_dir.mkdir(parents=True, exist_ok=True) + path = base_sessions_dir / REGISTRY_FILENAME + line = json.dumps(entry, ensure_ascii=False) + "\n" + with open(path, "a", encoding="utf-8") as f: + f.write(line) + + +def try_load_manifest_or_rebuild(session_dir: Path) -> dict[str, Any]: + """若無 manifest，嘗試用 session_meta + 既有 stage 檔重建（舊 session 相容）。""" + p = manifest_path(session_dir) + if p.is_file(): + return read_manifest(session_dir) + + meta_p = session_dir / "session_meta.json" + if not meta_p.is_file(): + raise FileNotFoundError("無 manifest 且無 session_meta.json，無法對齊路徑") + meta = json.loads(meta_p.read_text(encoding="utf-8")) + r1 = json.loads((session_dir / "stage_01_smiles.json").read_text(encoding="utf-8")) + r2 = json.loads((session_dir / "stage_02_pdb.json").read_text(encoding="utf-8")) + r3 = json.loads((session_dir / "stage_03_index.json").read_text(encoding="utf-8")) + return finalize_module1_manifest(session_dir, meta, r1, r2, r3) + + +def validate_target_matches_manifest(session_dir: Path, target: str) -> None: + m = read_manifest(session_dir) + mt = (m.get("target") or "").strip().upper() + t = target.strip().upper() + if mt and t and mt != t: + raise ValueError( + f"CLI --target={target!r} 與 manifest 的 target={m.get('target')!r} 不一致，" + "請使用同一標靶或換新 session。" + ) diff --git a/engines/molgate_module1.py b/engines/molgate_module1.py new file mode 100644 index 0000000000000000000000000000000000000000..b766289bc3d6cdbac0d3dcf830e1e83bfb838d41 --- /dev/null +++ b/engines/molgate_module1.py @@ -0,0 +1,747 @@ +""" +MolGate — Module 1: Input validation +Stage 01: SMILES standardization (RDKit) +Stage 02: PDB download & validation (RCSB HTTPS + optional Biopython) +Stage 03: Master Index lookup (JSON registry) + +Session artifacts: ./molgate_sessions//stage_*.json +""" + +from __future__ import annotations + +import argparse +import hashlib +import json +import os +import re +import socket +import sys +import time +from datetime import datetime +from pathlib import Path + +# 同目錄模組（無論從何處執行） +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) + +from molgate_ui.index_normalize import normalize_index +from molgate_ui.console_utf8 import configure_console_utf8 + +configure_console_utf8() +from typing import Any +from urllib.error import HTTPError, URLError +from urllib.request import ProxyHandler, Request, build_opener, urlopen + +from rdkit import Chem +from rdkit.Chem import Descriptors, rdmolops +from rdkit.Chem.MolStandardize import rdMolStandardize + +from molgate_manifest import append_registry, finalize_module1_manifest + +# ── Paths ───────────────────────────────────────────────────────── +BASE_DIR = _PKG_ROOT / "molgate_sessions" +DEFAULT_INDEX_PATH = _PKG_ROOT / "master_index.json" + +SCHEMA_VERSION = "0.3" + +# ── Master Index (loaded at runtime) ───────────────────────────── +_MASTER_INDEX: dict[str, Any] = {} + + +def load_master_index(path: Path | None = None) -> dict[str, Any]: + """Load Master Index JSON; merge with empty dict. Keys are uppercased for lookup.""" + p = path or DEFAULT_INDEX_PATH + if not p.is_file(): + raise FileNotFoundError( + f"找不到 Master Index：{p}\n" + "請在 MolGate 目錄放置 master_index.json，或使用 --index 指定路徑。" + ) + raw = json.loads(p.read_text(encoding="utf-8")) + ver = raw.pop("_schema_version", None) + raw.pop("_comment", None) + out: dict[str, Any] = {} + for k, v in raw.items(): + if not isinstance(v, dict): + continue + entry = dict(v) + entry["_index_schema"] = ver or SCHEMA_VERSION + out[k.upper()] = entry + return out + + +def get_master_index(path: Path | None = None) -> dict[str, Any]: + global _MASTER_INDEX + if not _MASTER_INDEX or path is not None: + _MASTER_INDEX = load_master_index(path) + return _MASTER_INDEX + + +# ── Session ─────────────────────────────────────────────────────── +def make_session_id(smiles: str, target: str, pdb_id: str) -> str: + raw = f"{smiles}|{target}|{pdb_id}|{SCHEMA_VERSION}" + return hashlib.sha256(raw.encode("utf-8")).hexdigest()[:16] + + +def save_stage(session_dir: Path, stage: int, name: str, data: dict) -> dict: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + session_dir.mkdir(parents=True, exist_ok=True) + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_stage(session_dir: Path, stage: int, name: str) -> dict | None: + path = session_dir / f"stage_{stage:02d}_{name}.json" + if not path.is_file(): + return None + return json.loads(path.read_text(encoding="utf-8")) + + +# ── Stage 01 輔助：立體未定義掃描（進 Module 2 前預警）──────────────── +def scan_undefined_stereo(mol: Chem.Mol) -> dict[str, Any]: + """ + 偵測「可能具立體但 SMILES 未標記」之手性中心與雙鍵 E/Z。 + 在標準化後分子上執行，供下游決策是否先補齊立體再進 Module 2。 + """ + rdmolops.AssignStereochemistry(mol, cleanIt=True, force=True) + + n_chiral = 0 + n_ez = 0 + chiral_atoms: list[int] = [] + ez_bonds: list[list[int]] = [] + method = "" + + try: + from rdkit.Chem import rdMolDescriptors + + if hasattr(rdMolDescriptors, "CalcNumUnspecifiedAtomStereoCenters"): + n_chiral = int(rdMolDescriptors.CalcNumUnspecifiedAtomStereoCenters(mol)) + if hasattr(rdMolDescriptors, "CalcNumUnspecifiedBondStereoCenters"): + n_ez = int(rdMolDescriptors.CalcNumUnspecifiedBondStereoCenters(mol)) + if hasattr(rdMolDescriptors, "CalcNumUnspecifiedAtomStereoCenters") or hasattr( + rdMolDescriptors, "CalcNumUnspecifiedBondStereoCenters" + ): + method = "rdMolDescriptors" + except Exception: + method = "" + + if not method: + try: + centers = Chem.FindMolChiralCenters(mol, includeUnassigned=True) + for c in centers: + if len(c) > 1 and c[1] == "?": + n_chiral += 1 + chiral_atoms.append(int(c[0])) + except Exception: + pass + method = "FindMolChiralCenters" + + # 細節與後備計數：FindPotentialStereo（亦補齊舊版缺少的 rd 函式時） + try: + from rdkit.Chem import FindPotentialStereo + from rdkit.Chem.rdchem import StereoSpecified, StereoType + + for entry in FindPotentialStereo(mol): + if entry.specified != StereoSpecified.Unspecified: + continue + if entry.type == StereoType.Atom_Tetrahedral: + a = int(entry.centeredOn) + if a not in chiral_atoms: + chiral_atoms.append(a) + elif entry.type == StereoType.Bond_Double: + try: + bidx = int(entry.centeredOn) + bnd = mol.GetBondWithIdx(bidx) + a1, a2 = bnd.GetBeginAtomIdx(), bnd.GetEndAtomIdx() + pair = [a1, a2] + if pair not in ez_bonds and [a2, a1] not in ez_bonds: + ez_bonds.append(pair) + except Exception: + continue + except Exception: + pass + + chiral_atoms = sorted(set(chiral_atoms)) + if n_chiral == 0 and chiral_atoms: + n_chiral = len(chiral_atoms) + if n_ez == 0 and ez_bonds: + n_ez = len(ez_bonds) + + return { + "n_undefined_chiral_centers": n_chiral, + "n_undefined_ez_bonds": n_ez, + "undefined_chiral_atom_indices": chiral_atoms, + "undefined_ez_bond_atom_pairs": ez_bonds, + "stereo_scan_method": method or "mixed", + } + + +# ── Stage 01: SMILES ───────────────────────────────────────────── +def stage01_smiles(smiles: str, session_dir: Path) -> dict: + print("\n[Stage 01] SMILES 標準化...") + + mol = Chem.MolFromSmiles(smiles) + if mol is None: + result = {"status": "FAIL", "reason": "無法解析 SMILES", "input_smiles": smiles} + save_stage(session_dir, 1, "smiles", result) + raise ValueError(f"Stage 01 FAIL: {result['reason']}") + + try: + canonical = rdMolStandardize.StandardizeSmiles(smiles) + except Exception as e: + result = { + "status": "FAIL", + "reason": f"StandardizeSmiles 失敗: {e}", + "input_smiles": smiles, + } + save_stage(session_dir, 1, "smiles", result) + raise ValueError(f"Stage 01 FAIL: {result['reason']}") + + mol_std = Chem.MolFromSmiles(canonical) + if mol_std is None: + result = {"status": "FAIL", "reason": "標準化後 SMILES 無效", "input_smiles": smiles} + save_stage(session_dir, 1, "smiles", result) + raise ValueError(f"Stage 01 FAIL: {result['reason']}") + + mw = Descriptors.MolWt(mol_std) + n_atoms = mol_std.GetNumAtoms() + + stereo = scan_undefined_stereo(mol_std) + + result: dict[str, Any] = { + "status": "PASS", + "input_smiles": smiles, + "canonical_smiles": canonical, + "mol_weight": round(mw, 2), + "num_atoms": n_atoms, + "is_small_molecule": mw < 900, + "n_undefined_chiral_centers": stereo["n_undefined_chiral_centers"], + "n_undefined_ez_bonds": stereo["n_undefined_ez_bonds"], + "undefined_chiral_atom_indices": stereo["undefined_chiral_atom_indices"], + "undefined_ez_bond_atom_pairs": stereo["undefined_ez_bond_atom_pairs"], + "stereo_scan_method": stereo["stereo_scan_method"], + "recommend_resolve_stereo_before_module2": False, + } + + warn_msgs: list[str] = [] + if not result["is_small_molecule"]: + result["status"] = "WARN" + warn_msgs.append("分子量 > 900 Da，可能不適用標準小分子對接流程") + + if stereo["n_undefined_chiral_centers"] > 0: + result["status"] = "WARN" + warn_msgs.append( + f"未定義手性中心：{stereo['n_undefined_chiral_centers']} 處" + f"（atom_idx: {stereo['undefined_chiral_atom_indices']}）" + " — 建議補齊 @ 立體再進 Module 2" + ) + + if stereo["n_undefined_ez_bonds"] > 0: + result["status"] = "WARN" + warn_msgs.append( + f"未定義 E/Z 雙鍵：{stereo['n_undefined_ez_bonds']} 處" + f"（atom pairs: {stereo['undefined_ez_bond_atom_pairs']}）" + " — 建議補齊 / 與 \\ 再進 Module 2" + ) + + if stereo["n_undefined_chiral_centers"] > 0 or stereo["n_undefined_ez_bonds"] > 0: + result["recommend_resolve_stereo_before_module2"] = True + + if warn_msgs: + result["warnings"] = warn_msgs + + save_stage(session_dir, 1, "smiles", result) + print(f" [OK] Canonical SMILES: {canonical}") + print(f" [OK] MW: {mw:.1f} Da | Atoms: {n_atoms}") + print(f" [OK] 立體掃描: 未定義手性 {stereo['n_undefined_chiral_centers']} | 未定義 E/Z {stereo['n_undefined_ez_bonds']}") + if stereo["n_undefined_chiral_centers"] > 0: + print( + f" [WARN] 有未定義手性中心（indices: {stereo['undefined_chiral_atom_indices']}）" + ) + if stereo["n_undefined_ez_bonds"] > 0: + print(f" [WARN] 有未定義 E/Z（pairs: {stereo['undefined_ez_bond_atom_pairs']}）") + if result.get("recommend_resolve_stereo_before_module2"): + print(" [NEXT] 建議：先處理立體再進 Module 2（仍為 WARN，非強制中止）") + print(f" [STATUS] {result['status']}") + return result + + +# ── Stage 02: PDB ───────────────────────────────────────────────── +_PDB_SOURCE_URLS = [ + ("rcsb_download", "https://files.rcsb.org/download/{id}.pdb"), + ("rcsb_view", "https://files.rcsb.org/view/{id}.pdb"), + ("pdbe_ent", "https://www.ebi.ac.uk/pdbe/entry-files/download/pdb{id}.ent"), +] + + +def _validate_pdb_content(text: str, pdb_id: str) -> dict: + lines = text.splitlines() + has_atom = any(l.startswith(("ATOM ", "HETATM")) for l in lines) + has_cryst = any(l.startswith("CRYST1") for l in lines) + atom_n = sum(1 for l in lines if l.startswith("ATOM")) + het_n = sum(1 for l in lines if l.startswith("HETATM")) + chains = sorted({l[21] for l in lines if len(l) > 21 and l.startswith("ATOM")}) + if not has_atom and not any(l.startswith("HETATM") for l in lines): + return {"ok": False, "reason": "檔案無 ATOM/HETATM 記錄"} + if len(text.strip()) < 200: + return {"ok": False, "reason": "檔案過短，可能非有效 PDB"} + return { + "ok": True, + "pdb_id": pdb_id.upper(), + "atom_count": atom_n, + "hetatm_count": het_n, + "chains": chains, + "has_hetatm": het_n > 0, + "has_cryst1": has_cryst, + } + + +def _format_network_reason(err: Exception) -> str: + """Normalize network exceptions to readable diagnostics.""" + if isinstance(err, HTTPError): + return f"HTTP {err.code}: {err.reason}" + if isinstance(err, URLError): + r = err.reason + if isinstance(r, OSError): + if getattr(r, "winerror", None) == 10061: + return "連線被拒絕 (WinError 10061，可能是防火牆/代理/公司網路限制)" + return f"網路錯誤: {r}" + return f"網路錯誤: {r}" + return str(err) + + +def _download_pdb_text(pid: str, *, max_retries: int = 2) -> tuple[str | None, str | None, list[str]]: + """ + Try multiple mirrors with retries. + Return (body, source_url, diagnostics). + """ + diagnostics: list[str] = [] + for source_name, pattern in _PDB_SOURCE_URLS: + url = pattern.format(id=pid) + for attempt in range(1, max_retries + 1): + req = Request(url, headers={"User-Agent": "MolGate/0.2 (Module1; research)"}) + for mode in ("proxy_env", "direct"): + try: + if mode == "proxy_env": + with urlopen(req, timeout=45) as resp: + body = resp.read().decode("utf-8", errors="replace") + else: + opener = build_opener(ProxyHandler({})) + with opener.open(req, timeout=45) as resp: + body = resp.read().decode("utf-8", errors="replace") + if "404" in body[:200] or len(body) < 200: + diagnostics.append(f"{source_name} try#{attempt} {mode}: 內容異常或為空") + continue + return body, url, diagnostics + except Exception as e: # noqa: BLE001 + diagnostics.append(f"{source_name} try#{attempt} {mode}: {_format_network_reason(e)}") + time.sleep(0.6 * attempt) + return None, None, diagnostics + + +def _find_local_pdb(pid: str, session_dir: Path) -> Path | None: + """Find local PDB by priority: current session, shared repo, previous sessions.""" + local_candidates = [ + session_dir / "pdb" / f"{pid}.pdb", + _PKG_ROOT / "pdb" / f"{pid}.pdb", + _PKG_ROOT / "tool" / "pdb" / f"{pid}.pdb", + ] + for c in local_candidates: + if c.is_file(): + return c + + # Reuse from previous sessions if available. + if BASE_DIR.is_dir(): + for p in sorted(BASE_DIR.glob(f"*/pdb/{pid}.pdb"), key=lambda x: x.stat().st_mtime, reverse=True): + if p.is_file(): + return p + return None + + +def stage02_pdb(pdb_id: str, session_dir: Path, *, allow_network: bool = False) -> dict: + print(f"\n[Stage 02] PDB 載入與驗證：{pdb_id}...") + + pid = pdb_id.strip().upper() + if not re.fullmatch(r"[0-9][A-Z0-9]{3}", pid): + result = {"status": "FAIL", "pdb_id": pid, "reason": "PDB ID 格式應為 4 字元（例：7DFP）"} + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + pdb_dir = session_dir / "pdb" + pdb_dir.mkdir(parents=True, exist_ok=True) + out_path = pdb_dir / f"{pid}.pdb" + url = None + + # Offline-first: prefer local prepared PDB sources. + src = _find_local_pdb(pid, session_dir) + if src is not None: + body = src.read_text(encoding="utf-8", errors="replace") + v = _validate_pdb_content(body, pid) + if not v.get("ok"): + result = { + "status": "FAIL", + "pdb_id": pid, + "pdb_path": str(src.resolve()), + "reason": f"本地 PDB 驗證失敗: {v.get('reason')}", + } + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + out_path.write_text(body, encoding="utf-8") + result = { + "status": "PASS", + "pdb_id": pid, + "pdb_path": str(out_path.resolve()), + "source": "local", + "source_path": str(src.resolve()), + "download_url": None, + "atom_count": v["atom_count"], + "hetatm_count": v["hetatm_count"], + "chains": v["chains"], + "has_hetatm": v["has_hetatm"], + "has_cryst1": v["has_cryst1"], + } + save_stage(session_dir, 2, "pdb", result) + print(f" [OK] 已由本地載入：{src}") + print(f" [OK] 複製到 session：{out_path}") + print( + f" [OK] ATOM: {v['atom_count']} | HETATM: {v['hetatm_count']} | Chains: {v['chains']}" + ) + print(f" [STATUS] {result['status']}") + return result + + if not allow_network: + result = { + "status": "FAIL", + "pdb_id": pid, + "reason": ( + "離線模式未找到本地 PDB。" + "請先放置於 ./pdb 或 ./tool/pdb，或先跑過一個含此 PDB 的 session，" + "或改用 --allow-network。" + ), + } + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + body, url, diagnostics = _download_pdb_text(pid) + if body is None: + host_diag = "" + try: + socket.getaddrinfo("files.rcsb.org", 443) + except Exception as e: # noqa: BLE001 + host_diag = f" | DNS 檢查失敗(files.rcsb.org): {e}" + proxy_hint = ( + os.environ.get("HTTPS_PROXY") + or os.environ.get("https_proxy") + or os.environ.get("HTTP_PROXY") + or os.environ.get("http_proxy") + ) + proxy_diag = f" | 代理設定: {proxy_hint}" if proxy_hint else " | 代理設定: " + result = { + "status": "FAIL", + "pdb_id": pid, + "reason": "；".join(diagnostics) + host_diag + proxy_diag, + } + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + out_path.write_text(body, encoding="utf-8") + v = _validate_pdb_content(body, pid) + if not v.get("ok"): + result = {"status": "FAIL", "pdb_id": pid, "pdb_path": str(out_path), "reason": v.get("reason")} + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + result = { + "status": "PASS", + "pdb_id": pid, + "pdb_path": str(out_path.resolve()), + "source": "network", + "source_path": None, + "download_url": url, + "network_attempts": diagnostics, + "atom_count": v["atom_count"], + "hetatm_count": v["hetatm_count"], + "chains": v["chains"], + "has_hetatm": v["has_hetatm"], + "has_cryst1": v["has_cryst1"], + } + save_stage(session_dir, 2, "pdb", result) + print(f" [OK] 已寫入：{out_path}") + print( + f" [OK] ATOM: {v['atom_count']} | HETATM: {v['hetatm_count']} | Chains: {v['chains']}" + ) + print(f" [STATUS] {result['status']}") + return result + + +# ── Stage 03: Master Index ──────────────────────────────────────── +def stage03_index( + target: str, + pdb_id: str, + session_dir: Path, + index_path: Path | None = None, + index_key: str | None = None, + manual_verified: bool = False, +) -> dict: + lookup_key = (index_key or target).strip().upper() + print(f"\n[Stage 03] Master Index 查詢：target={target} | index_key={lookup_key}...") + + idx = get_master_index(index_path) + entry = idx.get(lookup_key) + + if entry is None: + result = { + "status": "FAIL", + "target": target, + "index_key": lookup_key, + "reason": f"Index key '{lookup_key}' 不在 Master Index，請先於 master_index.json 策編", + "schema_ok": False, + "missing_fields": ["index_entry"], + "index_validation_mode": "manual_required", + "manual_verification_required": True, + "manual_verified": bool(manual_verified), + "rcsb_verified": False, + } + save_stage(session_dir, 3, "index", result) + raise ValueError(f"Stage 03 FAIL: {result['reason']}") + + if not entry.get("allowed", True): + result = { + "status": "BLOCKED", + "target": target, + "index_key": lookup_key, + "reason": f"此 Target 已禁用：{entry.get('notes', '')}", + "schema_ok": True, + "missing_fields": [], + "index_validation_mode": "manual_required", + "manual_verification_required": True, + "manual_verified": bool(manual_verified), + "rcsb_verified": False, + } + save_stage(session_dir, 3, "index", result) + raise ValueError(f"Stage 03 BLOCKED: {result['reason']}") + + required_fields = ("pdb_id", "target_drug") + missing_fields: list[str] = [] + entry = normalize_index(entry) + for f in required_fields: + v = entry.get(f) + if v is None or str(v).strip() == "": + missing_fields.append(f) + het_id = str(entry.get("het_id") or "").strip().upper() + cocrystal_het = str(entry.get("cocrystal_het") or "").strip().upper() + pocket_rule = str(entry.get("pocket_rule") or "").strip() + if not (het_id or cocrystal_het) and pocket_rule not in ("auto_detect", "manual_coords", "manual_select"): + missing_fields.append("het_id|cocrystal_het (or pocket_rule:auto_detect)") + if not pocket_rule: + missing_fields.append("pocket_rule") + if missing_fields: + result = { + "status": "FAIL", + "target": target, + "index_key": lookup_key, + "reason": "Master Index 條目缺少必填欄位", + "schema_ok": False, + "missing_fields": missing_fields, + "index_validation_mode": "manual_required", + "manual_verification_required": True, + "manual_verified": bool(manual_verified), + "rcsb_verified": False, + } + save_stage(session_dir, 3, "index", result) + raise ValueError( + f"Stage 03 FAIL: {result['reason']} ({', '.join(missing_fields)})" + ) + + rec_pdb = str(entry.get("pdb_id", "")).upper() + in_pdb = pdb_id.strip().upper() + + if rec_pdb and rec_pdb != in_pdb: + status = "WARN" + warning = f"建議 PDB 為 Master Index 指定之 {rec_pdb}，目前輸入為 {in_pdb}" + else: + status = "PASS" + warning = None + + result = { + "status": status, + "target": target, + "index_key": lookup_key, + "pdb_id": rec_pdb or in_pdb, + "input_pdb": in_pdb, + "state": entry.get("state"), + "family": entry.get("family"), + "pocket_rule": entry.get("pocket_rule"), + "cocrystal_het": cocrystal_het, + "het_id": het_id, + "override": entry.get("override") or {}, + "notes": entry.get("notes"), + "schema_ok": True, + "missing_fields": [], + "index_validation_mode": "manual_required", + "manual_verification_required": True, + "manual_verified": bool(manual_verified), + "rcsb_verified": False, + } + if warning: + result["warning"] = warning + + save_stage(session_dir, 3, "index", result) + print( + f" [OK] Target: {target} | Index key: {lookup_key} | " + f"Family: {entry.get('family')} | State: {entry.get('state')}" + ) + print(f" [OK] Pocket rule: {entry.get('pocket_rule')} | HET: {cocrystal_het or het_id}") + if entry.get("override"): + print(f" [OK] Override: {entry.get('override')}") + print(f" [STATUS] {result['status']}") + if warning: + print(f" [WARN] {warning}") + if not manual_verified: + print(" [WARN] 本版未自動連線 RCSB 驗證 index；請使用者手動確認 PDB/CCD 對應。") + return result + + +# ── Module 1 runner ─────────────────────────────────────────────── +def run_module1( + smiles: str, + target: str, + pdb_id: str, + index_path: Path | None = None, + index_key: str | None = None, + manual_verified: bool = False, + session_id: str | None = None, + drug_id: str | None = None, + drug_label: str | None = None, + allow_network: bool = False, +) -> dict | None: + print("=" * 58) + print(" MolGate — Module 1: Input validation") + print("=" * 58) + + BASE_DIR.mkdir(parents=True, exist_ok=True) + sid = session_id or make_session_id(smiles, target, pdb_id) + session_dir = BASE_DIR / sid + session_dir.mkdir(parents=True, exist_ok=True) + + meta = { + "session_id": sid, + "module": 1, + "created": datetime.now().isoformat(), + "smiles_input": smiles, + "target": target, + "index_key": (index_key or target).strip().upper(), + "pdb_id": pdb_id, + "index_path": str((index_path or DEFAULT_INDEX_PATH).resolve()), + "index_validation_mode": "manual_required", + "manual_verification_required": True, + "manual_verified": bool(manual_verified), + "rcsb_verified": False, + "drug_id": drug_id, + "drug_label": drug_label, + } + (session_dir / "session_meta.json").write_text( + json.dumps(meta, indent=2, ensure_ascii=False), + encoding="utf-8", + ) + + print(f"\n Session ID: {sid}") + print(f" Session dir: {session_dir}") + + try: + r1 = stage01_smiles(smiles, session_dir) + r2 = stage02_pdb(pdb_id, session_dir, allow_network=allow_network) + r3 = stage03_index( + target, + pdb_id, + session_dir, + index_path=index_path, + index_key=index_key, + manual_verified=manual_verified, + ) + except ValueError as e: + print(f"\n[ERROR] Module 1 中止: {e}") + return None + + finalize_module1_manifest( + session_dir, + meta, + r1, + r2, + r3, + drug_id=drug_id, + drug_label=drug_label, + ) + append_registry( + BASE_DIR, + { + "event": "module1_complete", + "session_id": sid, + "session_dir": str(session_dir.resolve()), + "drug_id": drug_id, + "drug_label": drug_label, + "target": target, + "pdb_id": r2.get("pdb_id") or pdb_id, + "timestamp": datetime.now().isoformat(), + }, + ) + + print("\n" + "=" * 58) + print(" Module 1 完成") + print(f" 日誌目錄: {session_dir}") + print(f" Manifest: {session_dir / 'molgate_run_manifest.json'}") + print("=" * 58) + + return {"session_id": sid, "session_dir": str(session_dir), "stage01": r1, "stage02": r2, "stage03": r3} + + +def main(argv: list[str] | None = None) -> int: + p = argparse.ArgumentParser(description="MolGate Module 1 — input validation") + p.add_argument("--smiles", required=True, help="輸入 SMILES") + p.add_argument( + "--target", + required=True, + help="Target 顯示名或預設 index 鍵名（若給 --index-key，將以 --index-key 優先）", + ) + p.add_argument("--index-key", default=None, help="Master Index 鍵名（建議明確提供）") + p.add_argument("--pdb-id", required=True, dest="pdb_id", help="RCSB PDB ID，例：7DFP") + p.add_argument("--index", type=Path, default=None, help="master_index.json 路徑") + p.add_argument("--drug-id", default=None, help="藥物管理用 ID（例：M01、IBU-001）") + p.add_argument("--drug-label", default=None, help="藥物顯示名稱（選填）") + p.add_argument( + "--allow-network", + action="store_true", + help="允許 Stage 02 連線下載 PDB（預設離線，只用本地資料）", + ) + p.add_argument( + "--manual-verified", + action="store_true", + help="標記 index 條目已由使用者人工核對（本版不自動做 RCSB 檢驗）", + ) + args = p.parse_args(argv) + + r = run_module1( + args.smiles, + args.target, + args.pdb_id, + index_path=args.index, + index_key=args.index_key, + manual_verified=args.manual_verified, + drug_id=args.drug_id, + drug_label=args.drug_label, + allow_network=args.allow_network, + ) + return 0 if r is not None else 1 + + +if __name__ == "__main__": + sys.exit(main()) diff --git a/engines/molgate_module1_patched.py b/engines/molgate_module1_patched.py new file mode 100644 index 0000000000000000000000000000000000000000..a5c113632065096f1354efc62ca3bb6048b0a66b --- /dev/null +++ b/engines/molgate_module1_patched.py @@ -0,0 +1,795 @@ +""" +MolGate — Module 1: Input validation +Stage 01: SMILES standardization (RDKit) +Stage 02: PDB download & validation (RCSB HTTPS + optional Biopython) +Stage 03: Master Index lookup (JSON registry) + +Session artifacts: ./molgate_sessions//stage_*.json +""" + +from __future__ import annotations + +import argparse +import hashlib +import json +import os +import re +import socket +import sys +import time +from datetime import datetime +from pathlib import Path + +# 同目錄模組（無論從何處執行） +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) + +from molgate_ui.index_normalize import normalize_index +from molgate_ui.console_utf8 import configure_console_utf8 +from molgate_ui.data_cache import cache_pdb, find_pdb_for_session, write_session_pdb +from molgate_ui.paths import PDB_DIR + +configure_console_utf8() +from typing import Any +from urllib.error import HTTPError, URLError +from urllib.request import ProxyHandler, Request, build_opener, urlopen + +from rdkit import Chem +from rdkit.Chem import Descriptors, rdmolops +from rdkit.Chem.MolStandardize import rdMolStandardize + +from molgate_manifest import append_registry, finalize_module1_manifest + +# ── Paths ───────────────────────────────────────────────────────── +def _sessions_root() -> Path: + raw = os.environ.get("MOLGATE_SESSIONS", "").strip() + if raw: + return Path(raw) + return _UI_ROOT / "data" / "sessions" + + +def _shared_pdb_dir() -> Path: + return PDB_DIR + + +def _cache_pdb_copy(pid: str, src: Path) -> None: + try: + dest = cache_pdb(pid, src) + print(f" ✓ 快取已寫入：{dest}") + except OSError as e: + print(f" ⚠ 快取寫入失敗：{e}") + + +BASE_DIR = _sessions_root() +DEFAULT_INDEX_PATH = _PKG_ROOT / "master_index.json" + +SCHEMA_VERSION = "0.3" + +# ── Master Index (loaded at runtime) ───────────────────────────── +_MASTER_INDEX: dict[str, Any] = {} + + +def load_master_index(path: Path | None = None) -> dict[str, Any]: + """Load Master Index JSON; merge with empty dict. Keys are uppercased for lookup.""" + p = path or DEFAULT_INDEX_PATH + if not p.is_file(): + raise FileNotFoundError( + f"找不到 Master Index：{p}\n" + "請在 MolGate 目錄放置 master_index.json，或使用 --index 指定路徑。" + ) + raw = json.loads(p.read_text(encoding="utf-8")) + ver = raw.pop("_schema_version", None) + raw.pop("_comment", None) + out: dict[str, Any] = {} + for k, v in raw.items(): + if not isinstance(v, dict): + continue + entry = dict(v) + entry["_index_schema"] = ver or SCHEMA_VERSION + out[k.upper()] = entry + return out + + +def get_master_index(path: Path | None = None) -> dict[str, Any]: + global _MASTER_INDEX + if not _MASTER_INDEX or path is not None: + _MASTER_INDEX = load_master_index(path) + return _MASTER_INDEX + + +# ── Session ─────────────────────────────────────────────────────── +def make_session_id(smiles: str, target: str, pdb_id: str) -> str: + raw = f"{smiles}|{target}|{pdb_id}|{SCHEMA_VERSION}" + return hashlib.sha256(raw.encode("utf-8")).hexdigest()[:16] + + +def save_stage(session_dir: Path, stage: int, name: str, data: dict) -> dict: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + session_dir.mkdir(parents=True, exist_ok=True) + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_stage(session_dir: Path, stage: int, name: str) -> dict | None: + path = session_dir / f"stage_{stage:02d}_{name}.json" + if not path.is_file(): + return None + return json.loads(path.read_text(encoding="utf-8")) + + +# ── Stage 01 輔助：立體未定義掃描（進 Module 2 前預警）──────────────── +def scan_undefined_stereo(mol: Chem.Mol) -> dict[str, Any]: + """ + 偵測「可能具立體但 SMILES 未標記」之手性中心與雙鍵 E/Z。 + 在標準化後分子上執行，供下游決策是否先補齊立體再進 Module 2。 + """ + rdmolops.AssignStereochemistry(mol, cleanIt=True, force=True) + + n_chiral = 0 + n_ez = 0 + chiral_atoms: list[int] = [] + ez_bonds: list[list[int]] = [] + method = "" + + try: + from rdkit.Chem import rdMolDescriptors + + if hasattr(rdMolDescriptors, "CalcNumUnspecifiedAtomStereoCenters"): + n_chiral = int(rdMolDescriptors.CalcNumUnspecifiedAtomStereoCenters(mol)) + if hasattr(rdMolDescriptors, "CalcNumUnspecifiedBondStereoCenters"): + n_ez = int(rdMolDescriptors.CalcNumUnspecifiedBondStereoCenters(mol)) + if hasattr(rdMolDescriptors, "CalcNumUnspecifiedAtomStereoCenters") or hasattr( + rdMolDescriptors, "CalcNumUnspecifiedBondStereoCenters" + ): + method = "rdMolDescriptors" + except Exception: + method = "" + + if not method: + try: + centers = Chem.FindMolChiralCenters(mol, includeUnassigned=True) + for c in centers: + if len(c) > 1 and c[1] == "?": + n_chiral += 1 + chiral_atoms.append(int(c[0])) + except Exception: + pass + method = "FindMolChiralCenters" + + # 細節與後備計數：FindPotentialStereo（亦補齊舊版缺少的 rd 函式時） + try: + from rdkit.Chem import FindPotentialStereo + from rdkit.Chem.rdchem import StereoSpecified, StereoType + + for entry in FindPotentialStereo(mol): + if entry.specified != StereoSpecified.Unspecified: + continue + if entry.type == StereoType.Atom_Tetrahedral: + a = int(entry.centeredOn) + if a not in chiral_atoms: + chiral_atoms.append(a) + elif entry.type == StereoType.Bond_Double: + try: + bidx = int(entry.centeredOn) + bnd = mol.GetBondWithIdx(bidx) + a1, a2 = bnd.GetBeginAtomIdx(), bnd.GetEndAtomIdx() + pair = [a1, a2] + if pair not in ez_bonds and [a2, a1] not in ez_bonds: + ez_bonds.append(pair) + except Exception: + continue + except Exception: + pass + + chiral_atoms = sorted(set(chiral_atoms)) + if n_chiral == 0 and chiral_atoms: + n_chiral = len(chiral_atoms) + if n_ez == 0 and ez_bonds: + n_ez = len(ez_bonds) + + return { + "n_undefined_chiral_centers": n_chiral, + "n_undefined_ez_bonds": n_ez, + "undefined_chiral_atom_indices": chiral_atoms, + "undefined_ez_bond_atom_pairs": ez_bonds, + "stereo_scan_method": method or "mixed", + } + + +# ── Stage 01: SMILES ───────────────────────────────────────────── +def stage01_smiles(smiles: str, session_dir: Path) -> dict: + print("\n[Stage 01] SMILES 標準化...") + + mol = Chem.MolFromSmiles(smiles) + if mol is None: + result = {"status": "FAIL", "reason": "無法解析 SMILES", "input_smiles": smiles} + save_stage(session_dir, 1, "smiles", result) + raise ValueError(f"Stage 01 FAIL: {result['reason']}") + + try: + canonical = rdMolStandardize.StandardizeSmiles(smiles) + except Exception as e: + result = { + "status": "FAIL", + "reason": f"StandardizeSmiles 失敗: {e}", + "input_smiles": smiles, + } + save_stage(session_dir, 1, "smiles", result) + raise ValueError(f"Stage 01 FAIL: {result['reason']}") + + mol_std = Chem.MolFromSmiles(canonical) + if mol_std is None: + result = {"status": "FAIL", "reason": "標準化後 SMILES 無效", "input_smiles": smiles} + save_stage(session_dir, 1, "smiles", result) + raise ValueError(f"Stage 01 FAIL: {result['reason']}") + + mw = Descriptors.MolWt(mol_std) + n_atoms = mol_std.GetNumAtoms() + + stereo = scan_undefined_stereo(mol_std) + + result: dict[str, Any] = { + "status": "PASS", + "input_smiles": smiles, + "canonical_smiles": canonical, + "mol_weight": round(mw, 2), + "num_atoms": n_atoms, + "is_small_molecule": mw < 900, + "n_undefined_chiral_centers": stereo["n_undefined_chiral_centers"], + "n_undefined_ez_bonds": stereo["n_undefined_ez_bonds"], + "undefined_chiral_atom_indices": stereo["undefined_chiral_atom_indices"], + "undefined_ez_bond_atom_pairs": stereo["undefined_ez_bond_atom_pairs"], + "stereo_scan_method": stereo["stereo_scan_method"], + "recommend_resolve_stereo_before_module2": False, + } + + warn_msgs: list[str] = [] + if not result["is_small_molecule"]: + result["status"] = "WARN" + warn_msgs.append("分子量 > 900 Da，可能不適用標準小分子對接流程") + + if stereo["n_undefined_chiral_centers"] > 0: + result["status"] = "WARN" + warn_msgs.append( + f"未定義手性中心：{stereo['n_undefined_chiral_centers']} 處" + f"（atom_idx: {stereo['undefined_chiral_atom_indices']}）" + " — 建議補齊 @ 立體再進 Module 2" + ) + + if stereo["n_undefined_ez_bonds"] > 0: + result["status"] = "WARN" + warn_msgs.append( + f"未定義 E/Z 雙鍵：{stereo['n_undefined_ez_bonds']} 處" + f"（atom pairs: {stereo['undefined_ez_bond_atom_pairs']}）" + " — 建議補齊 / 與 \\ 再進 Module 2" + ) + + if stereo["n_undefined_chiral_centers"] > 0 or stereo["n_undefined_ez_bonds"] > 0: + result["recommend_resolve_stereo_before_module2"] = True + + if warn_msgs: + result["warnings"] = warn_msgs + + save_stage(session_dir, 1, "smiles", result) + print(f" ✓ Canonical SMILES: {canonical}") + print(f" ✓ MW: {mw:.1f} Da | Atoms: {n_atoms}") + print(f" ✓ 立體掃描: 未定義手性 {stereo['n_undefined_chiral_centers']} | 未定義 E/Z {stereo['n_undefined_ez_bonds']}") + if stereo["n_undefined_chiral_centers"] > 0: + print( + f" ⚠ WARN: 有未定義手性中心（indices: {stereo['undefined_chiral_atom_indices']}）" + ) + if stereo["n_undefined_ez_bonds"] > 0: + print(f" ⚠ WARN: 有未定義 E/Z（pairs: {stereo['undefined_ez_bond_atom_pairs']}）") + if result.get("recommend_resolve_stereo_before_module2"): + print(" → 建議：先處理立體再進 Module 2（仍為 WARN，非強制中止）") + print(f" → Status: {result['status']}") + return result + + +# ── Stage 02: PDB ───────────────────────────────────────────────── +_PDB_SOURCE_URLS = [ + ("rcsb_download", "https://files.rcsb.org/download/{id}.pdb"), + ("rcsb_view", "https://files.rcsb.org/view/{id}.pdb"), + ("pdbe_ent", "https://www.ebi.ac.uk/pdbe/entry-files/download/pdb{id}.ent"), +] + +_CCD_URL = "https://data.rcsb.org/rest/v1/core/chemcomp/{het_id}" + + +def _validate_pdb_content(text: str, pdb_id: str) -> dict: + lines = text.splitlines() + has_atom = any(l.startswith(("ATOM ", "HETATM")) for l in lines) + has_cryst = any(l.startswith("CRYST1") for l in lines) + atom_n = sum(1 for l in lines if l.startswith("ATOM")) + het_n = sum(1 for l in lines if l.startswith("HETATM")) + chains = sorted({l[21] for l in lines if len(l) > 21 and l.startswith("ATOM")}) + if not has_atom and not any(l.startswith("HETATM") for l in lines): + return {"ok": False, "reason": "檔案無 ATOM/HETATM 記錄"} + if len(text.strip()) < 200: + return {"ok": False, "reason": "檔案過短，可能非有效 PDB"} + return { + "ok": True, + "pdb_id": pdb_id.upper(), + "atom_count": atom_n, + "hetatm_count": het_n, + "chains": chains, + "has_hetatm": het_n > 0, + "has_cryst1": has_cryst, + } + + +def _format_network_reason(err: Exception) -> str: + """Normalize network exceptions to readable diagnostics.""" + if isinstance(err, HTTPError): + return f"HTTP {err.code}: {err.reason}" + if isinstance(err, URLError): + r = err.reason + if isinstance(r, OSError): + if getattr(r, "winerror", None) == 10061: + return "連線被拒絕 (WinError 10061，可能是防火牆/代理/公司網路限制)" + return f"網路錯誤: {r}" + return f"網路錯誤: {r}" + return str(err) + + +def _download_pdb_text(pid: str, *, max_retries: int = 2) -> tuple[str | None, str | None, list[str]]: + """ + Try multiple mirrors with retries. + Return (body, source_url, diagnostics). + """ + diagnostics: list[str] = [] + for source_name, pattern in _PDB_SOURCE_URLS: + url = pattern.format(id=pid) + for attempt in range(1, max_retries + 1): + req = Request(url, headers={"User-Agent": "MolGate/0.2 (Module1; research)"}) + for mode in ("proxy_env", "direct"): + try: + if mode == "proxy_env": + with urlopen(req, timeout=45) as resp: + body = resp.read().decode("utf-8", errors="replace") + else: + opener = build_opener(ProxyHandler({})) + with opener.open(req, timeout=45) as resp: + body = resp.read().decode("utf-8", errors="replace") + if "404" in body[:200] or len(body) < 200: + diagnostics.append(f"{source_name} try#{attempt} {mode}: 內容異常或為空") + continue + return body, url, diagnostics + except Exception as e: # noqa: BLE001 + diagnostics.append(f"{source_name} try#{attempt} {mode}: {_format_network_reason(e)}") + time.sleep(0.6 * attempt) + return None, None, diagnostics + + +def _find_local_pdb(pid: str, session_dir: Path) -> Path | None: + """Find local PDB: session → data/pdb cache → legacy engine paths.""" + found = find_pdb_for_session(pid, session_dir) + if found: + return found + local_candidates = [ + _PKG_ROOT / "pdb" / f"{pid}.pdb", + _PKG_ROOT / "tool" / "pdb" / f"{pid}.pdb", + ] + for c in local_candidates: + if c.is_file(): + return c + return None + + +def _fetch_ccd_descriptor(het_id: str) -> tuple[dict[str, Any] | None, str | None]: + """Fetch RCSB CCD descriptor JSON for a HET id.""" + hid = (het_id or "").strip().upper() + if not hid: + return None, "缺少 het_id" + url = _CCD_URL.format(het_id=hid) + req = Request(url, headers={"User-Agent": "MolGate/0.3 (Module1; CCD lookup)"}) + try: + with urlopen(req, timeout=30) as resp: + body = resp.read().decode("utf-8", errors="replace") + data = json.loads(body) + return data, None + except Exception as e: # noqa: BLE001 + return None, _format_network_reason(e) + + +def _canonical_iso_smiles(smiles: str) -> str | None: + s = (smiles or "").strip() + if not s: + return None + m = Chem.MolFromSmiles(s) + if m is None: + return None + return Chem.MolToSmiles(m, isomericSmiles=True, canonical=True) + + +def stage02_pdb(pdb_id: str, session_dir: Path, *, allow_network: bool = False) -> dict: + print(f"\n[Stage 02] PDB 載入與驗證：{pdb_id}...") + + pid = pdb_id.strip().upper() + if not re.fullmatch(r"[0-9][A-Z0-9]{3}", pid): + result = {"status": "FAIL", "pdb_id": pid, "reason": "PDB ID 格式應為 4 字元（例：7DFP）"} + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + pdb_dir = session_dir / "pdb" + pdb_dir.mkdir(parents=True, exist_ok=True) + out_path = pdb_dir / f"{pid}.pdb" + url = None + + # Offline-first: prefer local prepared PDB sources. + src = _find_local_pdb(pid, session_dir) + if src is not None: + body = src.read_text(encoding="utf-8", errors="replace") + v = _validate_pdb_content(body, pid) + if not v.get("ok"): + result = { + "status": "FAIL", + "pdb_id": pid, + "pdb_path": str(src.resolve()), + "reason": f"本地 PDB 驗證失敗: {v.get('reason')}", + } + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + out_path.write_text(body, encoding="utf-8") + _cache_pdb_copy(pid, out_path) + result = { + "status": "PASS", + "pdb_id": pid, + "pdb_path": str(out_path.resolve()), + "source": "local", + "source_path": str(src.resolve()), + "download_url": None, + "atom_count": v["atom_count"], + "hetatm_count": v["hetatm_count"], + "chains": v["chains"], + "has_hetatm": v["has_hetatm"], + "has_cryst1": v["has_cryst1"], + } + save_stage(session_dir, 2, "pdb", result) + print(f" ✓ 已由本地載入：{src}") + print(f" ✓ 複製到 session：{out_path}") + print( + f" ✓ ATOM: {v['atom_count']} | HETATM: {v['hetatm_count']} | Chains: {v['chains']}" + ) + print(f" → Status: {result['status']}") + return result + + if not allow_network: + result = { + "status": "FAIL", + "pdb_id": pid, + "reason": ( + "離線模式未找到本地 PDB。" + "請先放置於 ./pdb 或 ./tool/pdb，或先跑過一個含此 PDB 的 session，" + "或改用 --allow-network。" + ), + } + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + body, url, diagnostics = _download_pdb_text(pid) + if body is None: + host_diag = "" + try: + socket.getaddrinfo("files.rcsb.org", 443) + except Exception as e: # noqa: BLE001 + host_diag = f" | DNS 檢查失敗(files.rcsb.org): {e}" + proxy_hint = ( + os.environ.get("HTTPS_PROXY") + or os.environ.get("https_proxy") + or os.environ.get("HTTP_PROXY") + or os.environ.get("http_proxy") + ) + proxy_diag = f" | 代理設定: {proxy_hint}" if proxy_hint else " | 代理設定: " + result = { + "status": "FAIL", + "pdb_id": pid, + "reason": "；".join(diagnostics) + host_diag + proxy_diag, + } + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + out_path = write_session_pdb(pid, session_dir, body) + v = _validate_pdb_content(body, pid) + if not v.get("ok"): + result = {"status": "FAIL", "pdb_id": pid, "pdb_path": str(out_path), "reason": v.get("reason")} + save_stage(session_dir, 2, "pdb", result) + raise ValueError(f"Stage 02 FAIL: {result['reason']}") + + result = { + "status": "PASS", + "pdb_id": pid, + "pdb_path": str(out_path.resolve()), + "source": "network", + "source_path": None, + "download_url": url, + "network_attempts": diagnostics, + "atom_count": v["atom_count"], + "hetatm_count": v["hetatm_count"], + "chains": v["chains"], + "has_hetatm": v["has_hetatm"], + "has_cryst1": v["has_cryst1"], + } + save_stage(session_dir, 2, "pdb", result) + print(f" ✓ 已寫入 session：{out_path}") + print(f" ✓ 快取已更新：{PDB_DIR / (pid + '.pdb')}") + print( + f" ✓ ATOM: {v['atom_count']} | HETATM: {v['hetatm_count']} | Chains: {v['chains']}" + ) + print(f" → Status: {result['status']}") + return result + + +# ── Stage 03: Master Index ──────────────────────────────────────── +def stage03_index( + target: str, + pdb_id: str, + session_dir: Path, + index_path: Path | None = None, +) -> dict: + print(f"\n[Stage 03] Master Index 查詢：target={target}...") + + + key = target.strip().upper() + entry = None + + # 優先順序 1：session_index.json（UI 寫入） + session_index_path = session_dir / "session_index.json" + if session_index_path.exists(): + try: + import json as _json + raw = _json.loads(session_index_path.read_text(encoding="utf-8")) + entry = normalize_index({k: v for k, v in raw.items() if not k.startswith("_")}) + if not entry.get("pdb_id"): + entry["pdb_id"] = pdb_id.strip().upper() + print(f" → 使用 session_index.json") + except Exception as e: + print(f" ⚠ 讀取失敗：{e}") + + # 優先順序 2：master_index.json + if entry is None: + idx = get_master_index(index_path) + raw_entry = idx.get(key) + if raw_entry is None and key != target.strip(): + raw_entry = idx.get(target.strip()) + if raw_entry is not None: + entry = normalize_index(raw_entry) + print(f" → 使用 master_index.json（{key}）") + + if entry is None: + result = { + "status": "FAIL", + "target": key, + "reason": f"Target '{key}' 不在 Master Index，請先於 master_index.json 策編", + } + save_stage(session_dir, 3, "index", result) + raise ValueError(f"Stage 03 FAIL: {result['reason']}") + + if not entry.get("allowed", True): + result = { + "status": "BLOCKED", + "target": key, + "reason": f"此 Target 已禁用：{entry.get('notes', '')}", + } + save_stage(session_dir, 3, "index", result) + raise ValueError(f"Stage 03 BLOCKED: {result['reason']}") + + rec_pdb = str(entry.get("pdb_id", "")).upper() + in_pdb = pdb_id.strip().upper() + + if rec_pdb and rec_pdb != in_pdb: + status = "WARN" + warning = f"建議 PDB 為 Master Index 指定之 {rec_pdb}，目前輸入為 {in_pdb}" + else: + status = "PASS" + warning = None + + result = { + "status": status, + "target": key, + "pdb_id": rec_pdb or in_pdb, + "input_pdb": in_pdb, + "state": entry.get("state"), + "family": entry.get("family"), + "pocket_rule": entry.get("pocket_rule"), + "cocrystal_het": entry.get("cocrystal_het"), + "het_id": entry.get("het_id"), + "override": entry.get("override") or {}, + "notes": entry.get("notes"), + } + + # Stage 03b: CCD stereo hint (best-effort, non-blocking) + s1 = load_stage(session_dir, 1, "smiles") or {} + input_smiles = str(s1.get("canonical_smiles") or s1.get("input_smiles") or "").strip() + het = str(entry.get("cocrystal_het") or entry.get("het_id") or "").strip().upper() + stage03b: dict[str, Any] = { + "ccd_lookup_status": "skipped", + "ccd_source": "rcsb_chemcomp", + "ccd_het_id": het, + "stereo_mode": "manual_single", + "single_path_policy": True, + "allow_parallel_stereo_branches": False, + "input_smiles": input_smiles, + "input_smiles_canonical_iso": _canonical_iso_smiles(input_smiles), + "ccd_smiles_stereo": None, + "ccd_smiles_canonical_iso": None, + "stereo_match": "unavailable", + "recommended_smiles_stereo": None, + "recommendation_reason": "", + "selected_smiles_for_module2": input_smiles or None, + "user_decision": "defer", + } + if het: + ccd, err = _fetch_ccd_descriptor(het) + if ccd is None: + stage03b["ccd_lookup_status"] = "failed" + stage03b["recommendation_reason"] = f"CCD 查詢失敗: {err}" + else: + desc = ccd.get("rcsb_chem_comp_descriptor") or {} + ccd_stereo = str(desc.get("SMILES_stereo") or "").strip() + if not ccd_stereo: + ccd_stereo = str(desc.get("SMILES") or "").strip() + stage03b["ccd_lookup_status"] = "ok" if ccd_stereo else "failed" + stage03b["ccd_smiles_stereo"] = ccd_stereo or None + stage03b["ccd_smiles_canonical_iso"] = _canonical_iso_smiles(ccd_stereo) if ccd_stereo else None + + in_iso = stage03b["input_smiles_canonical_iso"] + ccd_iso = stage03b["ccd_smiles_canonical_iso"] + if not in_iso or not ccd_iso: + stage03b["stereo_match"] = "uncomparable" + stage03b["recommendation_reason"] = "SMILES 無法正規化比對" + elif in_iso == ccd_iso: + stage03b["stereo_match"] = "exact" + stage03b["recommended_smiles_stereo"] = input_smiles + stage03b["recommendation_reason"] = "輸入 SMILES 與 CCD 立體一致" + else: + stage03b["stereo_match"] = "non_exact" + stage03b["recommended_smiles_stereo"] = ccd_stereo + stage03b["recommendation_reason"] = "建議採用 CCD 立體 SMILES 供 Module 2" + + if stage03b["recommended_smiles_stereo"]: + stage03b["selected_smiles_for_module2"] = stage03b["recommended_smiles_stereo"] + else: + stage03b["recommendation_reason"] = "Index 無 het_id/cocrystal_het，略過 CCD 比對" + + result["stage03b_stereo"] = stage03b + if warning: + result["warning"] = warning + + save_stage(session_dir, 3, "index", result) + save_stage(session_dir, 31, "stereo_hint", stage03b) + print(f" ✓ Target: {key} | Family: {entry.get('family')} | State: {entry.get('state')}") + print(f" ✓ Pocket rule: {entry.get('pocket_rule')} | HET: {entry.get('cocrystal_het') or entry.get('het_id')}") + if entry.get("override"): + print(f" ✓ Override: {entry.get('override')}") + print(f" → Status: {result['status']}") + if warning: + print(f" ⚠ {warning}") + if stage03b["ccd_lookup_status"] == "ok": + print(f" ✓ Stage 03b CCD: {stage03b['ccd_het_id']} | stereo_match={stage03b['stereo_match']}") + print(" ✓ Single-path policy: 本次流程僅使用 1 條 SMILES；若要比較另一立體，請重跑新 session") + elif stage03b["ccd_lookup_status"] == "failed": + print(f" ⚠ Stage 03b CCD 失敗：{stage03b['recommendation_reason']}") + return result + + +# ── Module 1 runner ─────────────────────────────────────────────── +def run_module1( + smiles: str, + target: str, + pdb_id: str, + index_path: Path | None = None, + session_id: str | None = None, + drug_id: str | None = None, + drug_label: str | None = None, + allow_network: bool = False, +) -> dict | None: + print("=" * 58) + print(" MolGate — Module 1: Input validation") + print("=" * 58) + + BASE_DIR.mkdir(parents=True, exist_ok=True) + sid = session_id or make_session_id(smiles, target, pdb_id) + session_dir = BASE_DIR / sid + session_dir.mkdir(parents=True, exist_ok=True) + + meta = { + "session_id": sid, + "module": 1, + "created": datetime.now().isoformat(), + "smiles_input": smiles, + "target": target, + "pdb_id": pdb_id, + "index_path": str((index_path or DEFAULT_INDEX_PATH).resolve()), + "drug_id": drug_id, + "drug_label": drug_label, + } + (session_dir / "session_meta.json").write_text( + json.dumps(meta, indent=2, ensure_ascii=False), + encoding="utf-8", + ) + + print(f"\n Session ID: {sid}") + print(f" Session dir: {session_dir}") + + try: + r1 = stage01_smiles(smiles, session_dir) + r2 = stage02_pdb(pdb_id, session_dir, allow_network=allow_network) + r3 = stage03_index(target, pdb_id, session_dir, index_path=index_path) + except ValueError as e: + print(f"\n❌ Module 1 中止: {e}") + return None + + finalize_module1_manifest( + session_dir, + meta, + r1, + r2, + r3, + drug_id=drug_id, + drug_label=drug_label, + ) + append_registry( + BASE_DIR, + { + "event": "module1_complete", + "session_id": sid, + "session_dir": str(session_dir.resolve()), + "drug_id": drug_id, + "drug_label": drug_label, + "target": target, + "pdb_id": r2.get("pdb_id") or pdb_id, + "timestamp": datetime.now().isoformat(), + }, + ) + + print("\n" + "=" * 58) + print(" Module 1 完成") + print(f" 日誌目錄: {session_dir}") + print(f" Manifest: {session_dir / 'molgate_run_manifest.json'}") + print("=" * 58) + + return {"session_id": sid, "session_dir": str(session_dir), "stage01": r1, "stage02": r2, "stage03": r3} + + +def main(argv: list[str] | None = None) -> int: + p = argparse.ArgumentParser(description="MolGate Module 1 — input validation") + p.add_argument("--smiles", required=True, help="輸入 SMILES") + p.add_argument("--target", required=True, help="Master Index 鍵名，例：D2R_7DFP、COX2") + p.add_argument("--pdb-id", required=True, dest="pdb_id", help="RCSB PDB ID，例：7DFP") + p.add_argument("--index", type=Path, default=None, help="master_index.json 路徑") + p.add_argument("--drug-id", default=None, help="藥物管理用 ID（例：M01、IBU-001）") + p.add_argument("--drug-label", default=None, help="藥物顯示名稱（選填）") + p.add_argument("--session-id", default=None, help="沿用 UI 建立的 session ID") + p.add_argument( + "--allow-network", + action="store_true", + help="允許 Stage 02 連線下載 PDB（預設離線，只用本地資料）", + ) + args = p.parse_args(argv) + + r = run_module1( + args.smiles, + args.target, + args.pdb_id, + index_path=args.index, + drug_id=args.drug_id, + drug_label=args.drug_label, + allow_network=args.allow_network, + session_id=args.session_id, + ) + return 0 if r is not None else 1 + + +if __name__ == "__main__": + sys.exit(main()) diff --git a/engines/molgate_module2_engineB.py b/engines/molgate_module2_engineB.py new file mode 100644 index 0000000000000000000000000000000000000000..d3184b5c831e2b391c6f6987dc38f925095f1c16 --- /dev/null +++ b/engines/molgate_module2_engineB.py @@ -0,0 +1,363 @@ +""" +MolGate — Module 2: Ligand Enumeration (Engine B) +Stage 04: Protonation state (Dimorphite-DL @ pH 7.4) +Stage 05: Tautomer (RDKit canonical) + +依賴： + pip install dimorphite-dl rdkit +""" + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8, should_prompt_interactive + +configure_console_utf8() + +from molgate_manifest import ( + append_registry, + finalize_module2_engine_b_manifest, + try_load_manifest_or_rebuild, + validate_target_matches_manifest, +) + +from rdkit import Chem +from rdkit.Chem.MolStandardize import rdMolStandardize + +# ── 嘗試載入 Dimorphite-DL ─────────────────────────── +try: + from dimorphite_dl import protonate_smiles + DIMORPHITE_OK = True +except ImportError: + DIMORPHITE_OK = False + print("[WARN] dimorphite-dl 未安裝，Stage 04 將降級為原始 SMILES") + +# Stage 04/05 產物版本（與 Module 1 的 stage_01 schema 分開） +SCHEMA_VERSION = "0.2" +# Module 1 Stage 01 目前可能為 0.2、0.3… +MODULE1_STAGE01_SCHEMAS = frozenset({"0.2", "0.3"}) + +# ── Master Index risk tier 查詢 ─────────────────────── +# 實際使用時從 JSON 或 DB 讀取，這裡示範內嵌 +LIGAND_RISK = { + "COX2": { + "stage04_tier": "A", + "stage04_rule": "neutral_only", + "stage04_note": "羧酸藥，pH 7.4 主要去質子化，單一形態足夠", + "stage05_tier": "A", + "stage05_note": "無高風險互變核心", + }, + "D2R": { + "stage04_tier": "C", + "stage04_rule": "manual_select", + "stage04_note": "CNS 胺基藥，pKa 接近 7.4，需手選質子化態", + "stage05_tier": "A", + "stage05_note": "無高風險互變核心", + }, +} + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict) -> dict: + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + +def load_stage(session_dir: Path, stage: int, name: str) -> dict: + """讀取本引擎產生的 Stage（04/05），schema 必須與 SCHEMA_VERSION 一致。""" + path = session_dir / f"stage_{stage:02d}_{name}.json" + if not path.exists(): + raise FileNotFoundError(f"找不到 Stage {stage} 暫存：{path}") + data = json.loads(path.read_text(encoding="utf-8")) + if data.get("_schema_version") != SCHEMA_VERSION: + raise ValueError(f"Schema version mismatch at stage {stage}，請重跑此關卡") + return data + + +def load_stage01_from_module1(session_dir: Path) -> dict: + """ + 讀取 molgate_module1 產生的 stage_01_smiles.json。 + 不與 Engine B 的 SCHEMA_VERSION 綁定（Module 1 獨立演進 0.2、0.3…）。 + """ + path = session_dir / "stage_01_smiles.json" + if not path.exists(): + raise FileNotFoundError(f"找不到 Module 1 輸出：{path}") + data = json.loads(path.read_text(encoding="utf-8")) + ver = data.get("_schema_version") + if ver is not None and ver not in MODULE1_STAGE01_SCHEMAS: + print( + f"[WARN] Stage 01 schema 為 {ver!r}，未在已知清單 {sorted(MODULE1_STAGE01_SCHEMAS)}，仍嘗試繼續" + ) + if "canonical_smiles" not in data: + raise ValueError("stage_01_smiles.json 缺少 canonical_smiles") + return data + +def prompt_select( + candidates: list[str], + label: str, + *, + non_interactive: bool = False, +) -> str: + """人工選擇介面；subprocess / --non-interactive 時採用候選 [0]。""" + if not candidates: + raise ValueError(f"無候選可選：{label}") + if not should_prompt_interactive(non_interactive=non_interactive): + print(f" [AUTO] 非互動：{label} → 候選 [0]") + return candidates[0] + print(f"\n ── 需要人工選擇：{label} ──") + for i, c in enumerate(candidates): + print(f" [{i}] {c}") + while True: + try: + idx = int(input(" 請輸入編號選擇：")) + if 0 <= idx < len(candidates): + return candidates[idx] + except (ValueError, KeyboardInterrupt): + pass + print(" 請輸入有效編號") + +# ── Stage 04：質子化狀態 ────────────────────────────── +def stage04_protonation( + smiles: str, + target: str, + session_dir: Path, + *, + non_interactive: bool = False, +) -> dict: + print("\n[Stage 04] 質子化狀態（pH 7.4）...") + + risk = LIGAND_RISK.get(target.upper(), {}) + tier = risk.get("stage04_tier", "B") + rule = risk.get("stage04_rule", "dimorphite") + note = risk.get("stage04_note", "") + + print(f" → Tier: {tier} | Rule: {rule}") + if note: + print(f" → Note: {note}") + + # Dimorphite-DL 產生候選 + candidates = [] + + if DIMORPHITE_OK: + try: + from dimorphite_dl import protonate_smiles + results = protonate_smiles(smiles, ph_min=7.35, ph_max=7.45) + candidates = list(results) if results else [smiles] + except Exception as e: + print(f" ⚠ Dimorphite-DL 執行錯誤：{e}，降級為原始 SMILES") + candidates = [smiles] + else: + # 降級：直接用輸入 SMILES + candidates = [smiles] + + print(f" ✓ 候選數：{len(candidates)}") + for c in candidates: + print(f" {c}") + + # 選擇邏輯 + if tier == "C" and should_prompt_interactive(non_interactive=non_interactive): + selected = prompt_select(candidates, "質子化形態", non_interactive=non_interactive) + status = "MANUAL" + elif tier == "C": + selected = candidates[0] + status = "AUTO" + print(" [AUTO] tier C 但非互動模式：採用候選 [0]") + elif len(candidates) > 2 and should_prompt_interactive(non_interactive=non_interactive): + print(f" ⚠ 候選數 > 2，需手動選擇") + selected = prompt_select(candidates, "質子化形態", non_interactive=non_interactive) + status = "MANUAL" + tier = "C_auto" + elif len(candidates) > 2: + selected = candidates[0] + status = "AUTO" + tier = "C_auto" + print(" [AUTO] 候選數 > 2，非互動：採用候選 [0]") + else: + # 自動取第一個（主要形態） + selected = candidates[0] + status = "AUTO" if tier == "A" else "CONFIRM" + + print(f" ✓ 選定：{selected}") + print(f" → Status: {status}") + + result = { + "status": status, + "tier": tier, + "input_smiles": smiles, + "candidates": candidates, + "selected_smiles": selected, + "ph": 7.4, + "note": note, + } + return save_stage(session_dir, 4, "protonation", result) + +# ── Stage 05：互變異構體 ────────────────────────────── +def stage05_tautomer( + smiles: str, + target: str, + session_dir: Path, + *, + non_interactive: bool = False, +) -> dict: + print("\n[Stage 05] 互變異構體（canonical tautomer）...") + + risk = LIGAND_RISK.get(target.upper(), {}) + tier = risk.get("stage05_tier", "A") + note = risk.get("stage05_note", "") + + print(f" → Tier: {tier}") + if note: + print(f" → Note: {note}") + + mol = Chem.MolFromSmiles(smiles) + if mol is None: + result = {"status": "FAIL", "reason": "無法解析 Stage 04 輸出的 SMILES"} + save_stage(session_dir, 5, "tautomer", result) + raise ValueError(f"Stage 05 FAIL: {result['reason']}") + + # RDKit canonical tautomer + enumerator = rdMolStandardize.TautomerEnumerator() + canon = enumerator.Canonicalize(mol) + canon_smiles = Chem.MolToSmiles(canon) + + # 列出所有候選 + tauts = enumerator.Enumerate(mol) + all_tauts = [Chem.MolToSmiles(t) for t in tauts] + + print(f" ✓ Canonical tautomer：{canon_smiles}") + print(f" ✓ 所有候選數：{len(all_tauts)}") + + # tier C 才停下來手選 + if tier == "C" and should_prompt_interactive(non_interactive=non_interactive): + print(f" ⚠ 高風險互變標記，需手動確認") + for t in all_tauts: + print(f" {t}") + selected = prompt_select(all_tauts, "互變異構體", non_interactive=non_interactive) + status = "MANUAL" + elif tier == "C": + selected = canon_smiles + status = "AUTO" + print(" [AUTO] tier C 互變異構，非互動：採用 canonical") + else: + selected = canon_smiles + status = "AUTO" if tier == "A" else "CONFIRM" + + print(f" ✓ 選定：{selected}") + print(f" → Status: {status}") + + result = { + "status": status, + "tier": tier, + "input_smiles": smiles, + "canonical_tautomer": canon_smiles, + "all_tautomers": all_tauts, + "selected_smiles": selected, + "tautomer_count": len(all_tauts), + "note": note, + } + return save_stage(session_dir, 5, "tautomer", result) + +# ── 主流程 ──────────────────────────────────────────── +def run_engine_b(session_dir: Path, target: str, *, non_interactive: bool = False): + print("=" * 55) + print(" MolGate — Module 2 Engine B") + print(" Stage 04: Protonation | Stage 05: Tautomer") + print("=" * 55) + + try: + try_load_manifest_or_rebuild(session_dir) + validate_target_matches_manifest(session_dir, target) + except ValueError as e: + print(f"[ERROR] {e}") + sys.exit(1) + except FileNotFoundError as e: + print(f"[ERROR] {e}") + sys.exit(1) + + # 讀取 Stage 01 輸出（Module 1，schema 與本引擎分離） + try: + s1 = load_stage01_from_module1(session_dir) + except FileNotFoundError: + print("[ERROR] 找不到 Module 1 輸出，請先跑 molgate_module1.py") + sys.exit(1) + + smiles = s1["canonical_smiles"] + print(f"\n 輸入 SMILES（來自 Stage 01）：{smiles}") + print(f" Target：{target}") + + if s1.get("recommend_resolve_stereo_before_module2"): + print( + "\n ⚠ WARN：Stage 01 標記「建議先處理立體再進 Module 2」" + f"（未定義手性 {s1.get('n_undefined_chiral_centers', '?')} | " + f"未定義 E/Z {s1.get('n_undefined_ez_bonds', '?')}）" + ) + print(" 仍可繼續 Engine B；結果之解讀風險自負。\n") + + try: + r4 = stage04_protonation( + smiles, target, session_dir, non_interactive=non_interactive + ) + r5 = stage05_tautomer( + r4["selected_smiles"], target, session_dir, non_interactive=non_interactive + ) + except ValueError as e: + print(f"\n[ERROR] Pipeline stopped: {e}") + sys.exit(1) + + finalize_module2_engine_b_manifest(session_dir, r4, r5) + append_registry( + session_dir.parent, + { + "event": "module2_engine_b_complete", + "session_id": session_dir.name, + "session_dir": str(session_dir.resolve()), + "target": target, + "final_smiles": r5["selected_smiles"], + "timestamp": datetime.now().isoformat(), + }, + ) + + print("\n" + "=" * 55) + print(" Engine B 完成 [OK]") + print(f" 最終 SMILES → Stage 09 使用：{r5['selected_smiles']}") + print(f" Session log：{session_dir}") + print(f" Manifest：{session_dir / 'molgate_run_manifest.json'}") + print("=" * 55) + + return { + "stage04": r4, + "stage05": r5, + "final_smiles": r5["selected_smiles"], + } + +# ── CLI ────────────────────────────────────────────── +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="MolGate Module 2 Engine B") + parser.add_argument("--session-dir", required=True, help="Module 1 的 session 目錄路徑") + parser.add_argument("--target", required=True, help="Target 名稱（如 COX2）") + parser.add_argument( + "--non-interactive", + action="store_true", + help="不呼叫 input()（Web/API subprocess 必用）", + ) + args = parser.parse_args() + + session_dir = Path(args.session_dir) + if not session_dir.exists(): + print(f"[ERROR] Session 目錄不存在：{session_dir}") + sys.exit(1) + + run_engine_b(session_dir, args.target, non_interactive=args.non_interactive) diff --git a/engines/molgate_module2_engineC.py b/engines/molgate_module2_engineC.py new file mode 100644 index 0000000000000000000000000000000000000000..04322cf9ddf88217b088ee9d86e288b505674ca7 --- /dev/null +++ b/engines/molgate_module2_engineC.py @@ -0,0 +1,468 @@ +""" +MolGate — Module 2 Engine C：配體 PDBQT（Stage 09） + +預設（--engine meeko，快速）：僅 Meeko。 +備援：--engine auto 為 Meeko → obabel；--engine obabel 僅 Open Babel。 + +輸入 SMILES： + - 優先 stage_05_tautomer.json → selected_smiles（若已跑 Engine B） + - 否則 stage_01_smiles.json → canonical_smiles + +輸出： + - ligand/ligand.pdbqt + - stage_09_ligand_pdbqt.json + - 更新 molgate_run_manifest.json +""" + +from __future__ import annotations + +import argparse +import json +import shutil +import subprocess +import sys +import tempfile +from datetime import datetime +from pathlib import Path +from typing import Any + +_PKG_ROOT = Path(__file__).resolve().parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) + +from molgate_manifest import ( + append_registry, + finalize_module2_engine_c_manifest, + try_load_manifest_or_rebuild, + validate_target_matches_manifest, +) + +from rdkit import Chem +from rdkit.Chem import AllChem + +SCHEMA_VERSION = "0.1" + +# Windows cp950 下避免 Unicode 輸出炸掉（如 ❌、⚠、✓） +try: + if hasattr(sys.stdout, "reconfigure"): + sys.stdout.reconfigure(encoding="utf-8", errors="replace") + if hasattr(sys.stderr, "reconfigure"): + sys.stderr.reconfigure(encoding="utf-8", errors="replace") +except Exception: + pass + + +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + session_dir.mkdir(parents=True, exist_ok=True) + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_json(p: Path) -> dict[str, Any]: + return json.loads(p.read_text(encoding="utf-8")) + + +def resolve_input_smiles(session_dir: Path) -> tuple[str, str]: + p5 = session_dir / "stage_05_tautomer.json" + if p5.is_file(): + d = load_json(p5) + smi = d.get("selected_smiles") + if smi: + return smi, "stage_05_tautomer.json:selected_smiles" + p1 = session_dir / "stage_01_smiles.json" + if not p1.is_file(): + raise FileNotFoundError("找不到 stage_05_tautomer.json 或 stage_01_smiles.json") + d = load_json(p1) + smi = d.get("canonical_smiles") + if not smi: + raise ValueError("stage_01_smiles.json 缺少 canonical_smiles") + return smi, "stage_01_smiles.json:canonical_smiles (未跑 Engine B)" + + +def build_3d_mol(smiles: str) -> Chem.Mol: + mol = Chem.MolFromSmiles(smiles) + if mol is None: + raise ValueError("無法自 SMILES 建分子") + Chem.SanitizeMol(mol) + mol = Chem.AddHs(mol) + try: + params = AllChem.ETKDGv3() + except AttributeError: + params = AllChem.ETKDG() + params.randomSeed = 0xC0FFEE + err = AllChem.EmbedMolecule(mol, params) + if err < 0: + err = AllChem.EmbedMolecule(mol, AllChem.ETKDG()) + if err < 0: + raise RuntimeError("RDKit EmbedMolecule 失敗，無法產生 3D 構象") + try: + AllChem.MMFFOptimizeMolecule(mol, maxIters=200) + except Exception: + try: + AllChem.UFFOptimizeMolecule(mol, maxIters=200) + except Exception: + pass + return mol + + +def _coerce_pdbqt_string(raw: Any) -> str: + """ + Meeko 0.7+ 的 write_string 可能回傳 str，或 (pdbqt_str, …) 元組。 + """ + if raw is None: + return "" + if isinstance(raw, str): + return raw + if isinstance(raw, bytes): + return raw.decode("utf-8", errors="replace") + if isinstance(raw, (tuple, list)) and len(raw) > 0: + first = raw[0] + if isinstance(first, str): + return first + if isinstance(first, bytes): + return first.decode("utf-8", errors="replace") + raise TypeError(f"PDBQT 輸出型別無法轉成字串: {type(raw)!r}") + + +def engine_meeko(mol: Chem.Mol, out_pdbqt: Path) -> dict[str, Any]: + """ + Meeko 0.6+：MoleculePreparation(mol) 回傳 setup 列表，PDBQT 用 PDBQTWriterLegacy.write_string。 + 較舊版：prepare(mol) + setup 上的 write_* 方法。 + """ + try: + from meeko import MoleculePreparation + except ImportError as e: + msg = str(e) + hint = "" + if "gemmi" in msg.lower(): + hint = " 請執行：pip install gemmi（Meeko 依賴 gemmi）。" + raise RuntimeError(f"Meeko 未安裝或無法 import: {e}.{hint}") from e + + preparator = MoleculePreparation() + setups = None + api_route = "" + + # 0.6+ 慣用 __call__(mol)；舊版用 prepare(mol) + try: + setups = preparator(mol) + api_route = "__call__" + except Exception: + pass + if not setups and hasattr(preparator, "prepare"): + try: + setups = preparator.prepare(mol) + api_route = "prepare" + except Exception as e: + raise RuntimeError(f"Meeko prepare 失敗: {e}") from e + + if not setups: + raise RuntimeError("Meeko 未回傳任何 molecule setup（檢查分子是否含氫與 3D）") + + setup = setups[0] + out_pdbqt.parent.mkdir(parents=True, exist_ok=True) + pdbqt_text: str | None = None + detail = "" + + try: + from meeko import PDBQTWriterLegacy + + pdbqt_text = PDBQTWriterLegacy.write_string(setup) + detail = "PDBQTWriterLegacy.write_string" + except Exception as e_legacy: + err_legacy = str(e_legacy) + try: + from meeko import PDBQTWriter + + pdbqt_text = PDBQTWriter.write_string(setup) + detail = "PDBQTWriter.write_string" + except Exception: + wfile = getattr(setup, "write_pdbqt_file", None) + if callable(wfile): + wfile(str(out_pdbqt)) + return { + "engine": "meeko", + "detail": "write_pdbqt_file", + "api": api_route, + } + writer = getattr(setup, "write_pdbqt_string", None) + if writer is None: + writer = getattr(setup, "write_string", None) + if callable(writer): + pdbqt_text = writer() + detail = "setup.write_pdbqt_string/write_string" + else: + raise RuntimeError( + "Meeko 無法輸出 PDBQT：請升級 meeko（建議 pip install -U meeko）" + f" 並確認可用 PDBQTWriterLegacy。Legacy 錯誤：{err_legacy}" + ) from e_legacy + + try: + pdbqt_text = _coerce_pdbqt_string(pdbqt_text) + except TypeError as e: + raise RuntimeError(f"Meeko PDBQT 輸出格式異常: {e}") from e + + if not pdbqt_text or not pdbqt_text.strip(): + raise RuntimeError("Meeko 產生的 PDBQT 字串為空") + out_pdbqt.write_text(pdbqt_text, encoding="utf-8") + return {"engine": "meeko", "detail": detail, "api": api_route} + + +def _obabel_run(obabel: str, argv: list[str]) -> subprocess.CompletedProcess: + return subprocess.run( + [obabel, *argv], + capture_output=True, + text=True, + encoding="utf-8", + errors="replace", + ) + + +def _write_temp_smi(smiles: str) -> Path: + """單行 SMILES 寫入暫存 .smi，避免 stdin 與參數順序在 OB 3.x 上觸發錯誤。""" + tf = tempfile.NamedTemporaryFile( + mode="w", suffix=".smi", delete=False, encoding="utf-8", newline="\n" + ) + try: + tf.write(smiles.strip() + "\n") + path = Path(tf.name) + finally: + tf.close() + return path + + +def _obabel_try_convert( + obabel: str, + argv: list[str], + out_pdbqt: Path, + *, + strategy: str, +) -> dict[str, Any] | None: + proc = _obabel_run(obabel, argv) + if proc.returncode == 0 and out_pdbqt.is_file() and out_pdbqt.stat().st_size >= 50: + return { + "engine": "obabel", + "obabel_path": obabel, + "strategy": strategy, + "argv": argv, + } + return None + + +def engine_obabel(smiles: str, out_pdbqt: Path) -> dict[str, Any]: + """ + Open Babel → PDBQT。 + + 不同 OB 版本對「--gen3d / -O」順序要求不一，故依序嘗試多組 argv。 + """ + obabel = shutil.which("obabel") + if not obabel: + raise RuntimeError("找不到 obabel（請安裝 Open Babel 並加入 PATH）") + + out_pdbqt.parent.mkdir(parents=True, exist_ok=True) + err_parts: list[str] = [] + sp = str(out_pdbqt.resolve()) + + smi_path: Path | None = None + try: + smi_path = _write_temp_smi(smiles) + si = str(smi_path.resolve()) + + # 策略 A：多種 OB 3.x 可接受的參數順序 + smi_to_pdbqt_variants = [ + [si, "--gen3d", "-O", sp], + [si, "-O", sp, "--gen3d"], + ["-ismi", si, "-O", sp, "--gen3d"], + ["-ismi", si, "--gen3d", "-O", sp], + ] + for argv in smi_to_pdbqt_variants: + ok = _obabel_try_convert(obabel, argv, out_pdbqt, strategy="smi_to_pdbqt") + if ok: + return ok + proc = _obabel_run(obabel, argv) + err_parts.append((proc.stderr or proc.stdout or "").strip()[:400]) + + # 策略 B：smi → 暫存 pdb → pdbqt + tmp_pdb = out_pdbqt.with_name(out_pdbqt.stem + "_obabel_tmp.pdb") + tp = str(tmp_pdb.resolve()) + try: + smi_to_pdb_variants = [ + [si, "--gen3d", "-O", tp], + [si, "-O", tp, "--gen3d"], + ["-ismi", si, "-O", tp, "--gen3d"], + ] + proc1_ok = False + for argv1 in smi_to_pdb_variants: + proc1 = _obabel_run(obabel, argv1) + if proc1.returncode == 0 and tmp_pdb.is_file(): + proc1_ok = True + break + err_parts.append((proc1.stderr or proc1.stdout or "").strip()[:400]) + if proc1_ok: + pdb_to_pdbqt_variants = [ + [tp, "-O", sp], + ["-ipdb", tp, "-O", sp], + ] + for argv2 in pdb_to_pdbqt_variants: + ok = _obabel_try_convert( + obabel, argv2, out_pdbqt, strategy="smi_to_pdb_then_pdbqt" + ) + if ok: + return ok + proc2 = _obabel_run(obabel, argv2) + err_parts.append((proc2.stderr or proc2.stdout or "").strip()[:400]) + else: + err_parts.append("smi→pdb 所有 argv 變體皆失敗") + finally: + if tmp_pdb.is_file(): + try: + tmp_pdb.unlink() + except OSError: + pass + finally: + if smi_path is not None and smi_path.is_file(): + try: + smi_path.unlink() + except OSError: + pass + + err_tail = " | ".join(e for e in err_parts if e) + raise RuntimeError( + "obabel 無法產生 PDBQT（已嘗試暫存 .smi 與 pdb 中繼）。" + " 可能原因：Open Babel 未含 pdbqt 外掛，或 Python 3.13 與 conda-forge openbabel 版本不相容。" + " 建議：① pip install gemmi meeko 後使用 --engine meeko；② 另建 Python 3.11/3.12 conda 環境再裝 openbabel；③ Windows 安裝官方 Open Babel 並確認 obabel 在 PATH。" + f" 末次訊息：{err_tail}" + ) + + +def run_engine_c( + session_dir: Path, + target: str, + engine: str = "meeko", +) -> dict[str, Any] | None: + print("=" * 58) + print(" MolGate — Module 2 Engine C（Stage 09：配體 PDBQT）") + print("=" * 58) + + try: + try_load_manifest_or_rebuild(session_dir) + validate_target_matches_manifest(session_dir, target) + except (ValueError, FileNotFoundError) as e: + print(f"[ERROR] {e}") + return None + + smiles, smi_src = resolve_input_smiles(session_dir) + print(f"\n SMILES 來源：{smi_src}") + print(f" SMILES：{smiles[:120]}{'...' if len(smiles) > 120 else ''}") + + s1_path = session_dir / "stage_01_smiles.json" + if s1_path.is_file(): + s1 = load_json(s1_path) + if s1.get("recommend_resolve_stereo_before_module2"): + print( + "\n [WARN] Stage 01 曾標記立體未補齊；PDBQT 仍會產生，解讀風險自負。\n" + ) + + lig_dir = session_dir / "ligand" + lig_dir.mkdir(parents=True, exist_ok=True) + out_pdbqt = lig_dir / "ligand.pdbqt" + + mol_3d = build_3d_mol(smiles) + + print(f"\n 引擎模式：{engine}" + ("（預設快速：僅 Meeko）" if engine == "meeko" else "")) + + engines_order: list[str] + if engine == "auto": + engines_order = ["meeko", "obabel"] + elif engine == "meeko": + engines_order = ["meeko"] + elif engine == "obabel": + engines_order = ["obabel"] + else: + print(f"[ERROR] 未知 --engine：{engine}") + return None + + last_err: str | None = None + meta: dict[str, Any] = {} + for eng in engines_order: + try: + if eng == "meeko": + meta = engine_meeko(mol_3d, out_pdbqt) + break + if eng == "obabel": + meta = engine_obabel(smiles, out_pdbqt) + break + except Exception as e: + last_err = f"{eng}: {e}" + print(f" [WARN] {last_err}") + continue + else: + result = { + "status": "FAIL", + "reason": "所有引擎皆失敗", + "last_error": last_err, + "tried": engines_order, + } + save_stage(session_dir, 9, "ligand_pdbqt", result) + print(f"\n[ERROR] Engine C 失敗：{last_err}") + return None + + result = { + "status": "PASS", + "input_smiles": smiles, + "smiles_source": smi_src, + "engine": meta.get("engine"), + "engine_detail": meta, + "ligand_pdbqt": str(out_pdbqt.resolve()), + } + save_stage(session_dir, 9, "ligand_pdbqt", result) + + finalize_module2_engine_c_manifest(session_dir, result, out_pdbqt) + append_registry( + session_dir.parent, + { + "event": "module2_engine_c_complete", + "session_id": session_dir.name, + "session_dir": str(session_dir.resolve()), + "target": target, + "ligand_pdbqt": str(out_pdbqt.resolve()), + "engine": result.get("engine"), + "timestamp": datetime.now().isoformat(), + }, + ) + + print("\n" + "=" * 58) + print(" Engine C 完成 [OK]") + print(f" 配體 PDBQT：{out_pdbqt}") + print(f" 引擎：{result.get('engine')}") + print(f" Manifest：{session_dir / 'molgate_run_manifest.json'}") + print("=" * 58) + return result + + +def main() -> int: + ap = argparse.ArgumentParser(description="MolGate Module 2 Engine C — ligand PDBQT") + ap.add_argument("--session-dir", required=True, type=Path, help="session 目錄（與 Module 1 相同）") + ap.add_argument("--target", required=True, help="須與 manifest 一致，如 COX2") + ap.add_argument( + "--engine", + choices=("auto", "meeko", "obabel"), + default="meeko", + help="預設 meeko（快速）；auto＝Meeko 失敗再 obabel；obabel＝僅 Open Babel", + ) + args = ap.parse_args() + sd = args.session_dir + if not sd.is_dir(): + print(f"[ERROR] session 目錄不存在：{sd}") + return 1 + r = run_engine_c(sd, args.target, engine=args.engine) + return 0 if r is not None else 1 + + +if __name__ == "__main__": + raise SystemExit(main()) diff --git a/engines/molgate_module3_engineA.py b/engines/molgate_module3_engineA.py new file mode 100644 index 0000000000000000000000000000000000000000..1461c25d2eca05d739ad3265f3b6e0694b78998f --- /dev/null +++ b/engines/molgate_module3_engineA.py @@ -0,0 +1,483 @@ +""" +MolGate — Module 3: Protein Preparation (Engine A) +Stage 10: Family classification +Stage 11: State confirmation +Stage 12: Contaminant chain removal +Stage 13: Missing loop assessment +Stage 14: Water removal + +全自動層，輸出 cleaned.pdb +Master Index 與 Module 1 共用 master_index.json（單一真相來源）。 +可選合併 session 內 stage_03_index.json（與該次 run 對齊）。 +依賴：biopython +""" + +from __future__ import annotations + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +from Bio.PDB import PDBIO, PDBParser, Select +from Bio.PDB.Polypeptide import is_aa + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8 +from molgate_ui.protein_families import prep_profile_for_family + +configure_console_utf8() + +SCHEMA_VERSION = "0.2" +DEFAULT_INDEX_PATH = _PKG_ROOT / "master_index.json" +INDEX_SCHEMA_FALLBACK = "0.2" + + +def load_master_index_file(path: Path | None = None) -> dict[str, Any]: + """與 molgate_module1.load_master_index 對齊的純 JSON 載入（不依賴 RDKit）。""" + p = path or DEFAULT_INDEX_PATH + if not p.is_file(): + raise FileNotFoundError( + f"找不到 Master Index：{p}\n" + "請在 MolGate 目錄放置 master_index.json，或使用 --index 指定路徑。" + ) + raw = json.loads(p.read_text(encoding="utf-8")) + ver = raw.pop("_schema_version", None) + raw.pop("_comment", None) + out: dict[str, Any] = {} + for k, v in raw.items(): + if not isinstance(v, dict): + continue + entry = dict(v) + entry["_index_schema"] = ver or INDEX_SCHEMA_FALLBACK + out[k.upper()] = entry + return out + + +def load_stage_03(session_dir: Path) -> dict[str, Any] | None: + p = session_dir / "stage_03_index.json" + if not p.is_file(): + return None + return json.loads(p.read_text(encoding="utf-8")) + + +def load_session_index(session_dir: Path) -> dict[str, Any] | None: + """Module 1 UI 寫入的 session_index.json（與 master_index 同構）。""" + p = session_dir / "session_index.json" + if not p.is_file(): + return None + try: + from molgate_ui.index_normalize import normalize_index + + raw = json.loads(p.read_text(encoding="utf-8")) + entry = normalize_index(raw) + for meta_key in ("_created", "_source"): + if meta_key in raw: + entry[meta_key] = raw[meta_key] + return entry + except (json.JSONDecodeError, OSError, TypeError): + return None + + +def build_engine_entry( + master: dict[str, Any], + target: str, + session_dir: Path, +) -> dict[str, Any]: + """ + 優先 master_index[target]；若無則 fallback session_index.json（與 Module 1 UI 一致）。 + 再以 stage_03_index.json 覆寫本次 run 的 pdb_id / family 等。 + """ + key = target.strip().upper() + master_base = master.get(key) + if master_base is not None: + entry: dict[str, Any] = dict(master_base) + entry["_index_source"] = "master_index" + else: + session_entry = load_session_index(session_dir) + if session_entry is None: + raise KeyError(key) + entry = dict(session_entry) + entry["_index_source"] = "session_index" + print(f" → Master Index 無 {key!r}，使用 session_index.json") + + entry.setdefault("allowed", True) + + s3 = load_stage_03(session_dir) + if s3: + for k in ( + "pdb_id", + "state", + "family", + "notes", + "cocrystal_het", + "het_id", + "override", + "pocket_rule", + "target_drug", + "common_name", + "box_padding", + ): + if k in s3 and s3[k] is not None: + entry[k] = s3[k] + + entry.setdefault("contaminant_chains", []) + entry.setdefault("keep_water", False) + base_for_defaults = master_base if master_base is not None else {} + if not entry["contaminant_chains"] and isinstance(entry.get("override"), dict): + oc = entry["override"].get("contaminant_chains") + if isinstance(oc, list): + entry["contaminant_chains"] = oc + if "keep_water" not in base_for_defaults and isinstance(entry.get("override"), dict): + kw = entry["override"].get("keep_water") + if isinstance(kw, bool): + entry["keep_water"] = kw + + try: + from molgate_ui.anchor_routing import merge_session_route_overrides + + entry = merge_session_route_overrides(entry, session_dir) + except ImportError: + pass + return entry + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict) -> dict: + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + +def find_pdb_file(session_dir: Path, pdb_id: str) -> Path: + pdb_dir = session_dir / "pdb" + candidates = (list(pdb_dir.glob(f"*{pdb_id.lower()}*")) + + list(pdb_dir.glob(f"*{pdb_id.upper()}*"))) + if not candidates: + raise FileNotFoundError(f"找不到 PDB 檔案：{pdb_id}，請先跑 Module 1") + return candidates[0] + +# ── Stage 10：家族分類 ──────────────────────────────── +def stage10_family(entry: dict, session_dir: Path) -> dict: + print("\n[Stage 10] 蛋白家族分類...") + family = entry.get("family", "other") or "other" + profile = prep_profile_for_family(str(family), lang="zh") + print(f" ✓ Family: {family}") + print(f" ✓ Prep profile: {profile}") + print(f" → Status: AUTO") + return save_stage(session_dir, 10, "family", { + "status": "AUTO", + "family": family, + "prep_profile": profile, + }) + +# ── Stage 11：State 確認 ────────────────────────────── +def stage11_state(entry: dict, session_dir: Path) -> dict: + print("\n[Stage 11] 結構態確認...") + state = entry.get("state", "unknown") + notes = entry.get("notes", "") + status = "WARN" if state == "unknown" else "AUTO" + if status == "WARN": + print(f" ⚠ WARN: state = unknown，結果可信度降低") + print(f" ✓ State: {state}") + if notes: + print(f" ✓ Notes: {notes}") + print(f" → Status: {status}") + return save_stage(session_dir, 11, "state", { + "status": status, + "state": state, + "notes": notes, + }) + +# ── Stage 12：污染鏈移除 ────────────────────────────── +def stage12_chains(entry: dict, structure, session_dir: Path): + print("\n[Stage 12] 污染鏈移除...") + contaminant = entry.get("contaminant_chains", []) + all_chains = [c.id for m in structure for c in m] + kept = [c for c in all_chains if c not in contaminant] + if contaminant: + print(f" ⚠ 移除污染鏈：{contaminant}") + else: + print(f" ✓ 無污染鏈") + print(f" ✓ 保留 chains：{kept}") + print(f" → Status: AUTO") + r = save_stage(session_dir, 12, "chains", { + "status": "AUTO", + "all_chains": all_chains, + "contaminant_chains": contaminant, + "kept_chains": kept, + }) + return r, kept + +# ── Stage 13：缺失環評估 ────────────────────────────── +def stage13_loops(structure, kept_chains: list, session_dir: Path) -> dict: + print("\n[Stage 13] 缺失環評估...") + missing = [] + for model in structure: + for chain in model: + if chain.id not in kept_chains: + continue + residues = [r for r in chain if is_aa(r, standard=True)] + if not residues: + continue + seq_ids = sorted([r.get_id()[1] for r in residues]) + for i in range(len(seq_ids) - 1): + gap = seq_ids[i+1] - seq_ids[i] + if gap > 1: + missing.append({ + "chain": chain.id, + "after": seq_ids[i], + "before": seq_ids[i+1], + "gap_size": gap - 1, + }) + status = "WARN" if missing else "AUTO" + if missing: + print(f" ⚠ 偵測到 {len(missing)} 個缺失片段") + for seg in missing[:3]: + print(f" Chain {seg['chain']}: 殘基 {seg['after']}～{seg['before']} 缺失 {seg['gap_size']} 個") + if len(missing) > 3: + print(f" ...（共 {len(missing)} 個）") + else: + print(f" ✓ 無缺失環，結構完整") + print(f" → Status: {status}") + return save_stage(session_dir, 13, "loops", { + "status": status, + "missing_count": len(missing), + "missing_segments": missing[:20], + }) + +# ── Stage 14：去結晶水 ──────────────────────────────── +def stage14_water(entry: dict, structure, kept_chains: list, session_dir: Path) -> dict: + print("\n[Stage 14] 去結晶水...") + keep_water = entry.get("keep_water", False) + water_count = sum( + 1 for m in structure for c in m + if c.id in kept_chains + for r in c if r.get_resname().strip() in ["HOH", "WAT"] + ) + if keep_water: + status = "CONFIRM" + action = "keep_all" + print(f" ⚠ Master Index 標記保留水（共 {water_count} 個）") + else: + status = "AUTO" + action = "remove_all" + print(f" ✓ 移除全部結晶水（共 {water_count} 個）") + print(f" → Status: {status}") + return save_stage(session_dir, 14, "water", { + "status": status, + "action": action, + "water_count": water_count, + "keep_water": keep_water, + }) + +# ── PDB 輸出 Select ─────────────────────────────────── +class CleanSelect(Select): + def __init__(self, kept_chains, remove_water): + self.kept_chains = kept_chains + self.remove_water = remove_water + + def accept_chain(self, chain): + return chain.id in self.kept_chains + + def accept_residue(self, residue): + if self.remove_water and residue.get_resname().strip() in ["HOH", "WAT"]: + return False + return True + +def _update_manifest_engine_a( + session_dir: Path, + cleaned_path: Path, + flags: list[str], +) -> None: + """若存在 molgate_run_manifest.json，寫入 cleaned.pdb 與 module3_engine_a 狀態。""" + try: + from molgate_manifest import read_manifest, rel_path, write_manifest + except ImportError: + return + mp = session_dir / "molgate_run_manifest.json" + if not mp.is_file(): + return + try: + m = read_manifest(session_dir) + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + rmap["cleaned_pdb"] = rel_path(session_dir, cleaned_path) + paths["relative"] = rmap + paths["cleaned_pdb_absolute"] = str(cleaned_path.resolve()) + ns = dict(paths.get("next_step") or {}) + ns["after_module3_engine_a"] = { + "read_cleaned_pdb_from": rmap["cleaned_pdb"], + "hint": "下一步：Engine B（人機決策 15/17 + Flag 16/18 → prep_decisions）", + } + paths["next_step"] = ns + m["paths"] = paths + pl = dict(m.get("pipeline") or {}) + pl["module3_engine_a"] = { + "status": "complete", + "completed_at": datetime.now().isoformat(), + "stages": ["10", "11", "12", "13", "14"], + } + m["pipeline"] = pl + summ = dict(m.get("summary") or {}) + summ["module3_engine_a_flags"] = flags + summ["cleaned_pdb_relative"] = rmap["cleaned_pdb"] + m["summary"] = summ + write_manifest(session_dir, m) + except Exception: + pass + + +# ── 主流程 ──────────────────────────────────────────── +def run_engine_a( + session_dir: Path, + target: str, + *, + index_path: Path | None = None, + skip_manifest_target_check: bool = False, +): + print("=" * 55) + print(" MolGate — Module 3 Engine A（全自動層）") + print(" Stage 10/11/12/13/14 → cleaned.pdb") + print("=" * 55) + + try: + master = load_master_index_file(index_path) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + + try: + entry = build_engine_entry(master, target, session_dir) + except KeyError: + print( + f"[ERROR] Target '{target}' 不在 Master Index，" + "且 session 內無 session_index.json" + ) + sys.exit(1) + + if entry.get("allowed") is False: + print(f"❌ Target '{target}' 在 Master Index 標記為 allowed=false，已中止") + sys.exit(1) + + if not skip_manifest_target_check: + try: + from molgate_manifest import validate_target_matches_manifest + + validate_target_matches_manifest(session_dir, target) + except FileNotFoundError: + pass + except ValueError as e: + print(f"❌ {e}") + sys.exit(1) + + pdb_id = (entry.get("pdb_id") or "").upper() + if not pdb_id: + print("❌ 條目缺少 pdb_id") + sys.exit(1) + print(f"\n Target：{target.upper()} | PDB：{pdb_id}") + + try: + pdb_path = find_pdb_file(session_dir, pdb_id) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + + print(f" PDB：{pdb_path}") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure(pdb_id, str(pdb_path)) + + flags = [] + + try: + r10 = stage10_family(entry, session_dir) + r11 = stage11_state(entry, session_dir) + if r11["status"] == "WARN": + flags.append("WARN_state_unknown") + + r12, kept_chains = stage12_chains(entry, structure, session_dir) + r13 = stage13_loops(structure, kept_chains, session_dir) + if r13["status"] == "WARN": + flags.append(f"WARN_missing_loops:{r13['missing_count']}") + + r14 = stage14_water(entry, structure, kept_chains, session_dir) + + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + # 輸出 cleaned.pdb + protein_dir = session_dir / "protein" + protein_dir.mkdir(exist_ok=True) + cleaned_path = protein_dir / "cleaned.pdb" + + io = PDBIO() + io.set_structure(structure) + io.save(str(cleaned_path), CleanSelect(kept_chains, r14["action"] == "remove_all")) + + with open(cleaned_path) as f: + lines = f.readlines() + atom_count = len([l for l in lines if l.startswith("ATOM")]) + hetatm_count = len([l for l in lines if l.startswith("HETATM")]) + + print(f"\n ✓ cleaned.pdb 完成") + print(f" ✓ ATOM: {atom_count} | HETATM: {hetatm_count} | Chains: {kept_chains}") + + _update_manifest_engine_a(session_dir, cleaned_path, flags) + + print("\n" + "=" * 55) + print(" Engine A 完成 ✓") + if flags: + print(f" Flags：{' | '.join(flags)}") + print(f" 輸出：{cleaned_path}") + print(f" Session log：{session_dir}") + print("=" * 55) + + return { + "stage10": r10, "stage11": r11, + "stage12": r12, "stage13": r13, "stage14": r14, + "cleaned_pdb": str(cleaned_path), + "kept_chains": kept_chains, + "flags": flags, + } + +# ── CLI ────────────────────────────────────────────── +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="MolGate Module 3 Engine A") + parser.add_argument("--session-dir", required=True) + parser.add_argument("--target", required=True) + parser.add_argument( + "--index", + type=Path, + default=None, + help="Master Index JSON（預設：MolGate 目錄下 master_index.json）", + ) + parser.add_argument( + "--skip-manifest-target-check", + action="store_true", + help="不與 molgate_run_manifest.json 的 target 交叉驗證", + ) + args = parser.parse_args() + + session_dir = Path(args.session_dir) + if not session_dir.exists(): + print(f"❌ Session 目錄不存在：{session_dir}") + sys.exit(1) + + run_engine_a( + session_dir, + args.target, + index_path=args.index, + skip_manifest_target_check=args.skip_manifest_target_check, + ) diff --git a/engines/molgate_module3_engineB.py b/engines/molgate_module3_engineB.py new file mode 100644 index 0000000000000000000000000000000000000000..2b34da4347fd183705b879e9ca6c5385223fce1e --- /dev/null +++ b/engines/molgate_module3_engineB.py @@ -0,0 +1,764 @@ +""" +MolGate — Module 3: Protein Preparation (Engine B) +人機決策層（單一腳本跑完）： + Stage 15：有偵測到輔因子／金屬才停，否則一路向下 + Stage 17：僅 GPCR／金屬酶相關標靶才停，否則一路向下 + Flag 16／18：PROPKA／鹽橋占位（SKIPPED） +最後寫入 prep_decisions.json，並設 ready_for_engine_e = true（供 Engine C 銜接） + +依賴：biopython；Index 載入與 Engine A 共用（import molgate_module3_engineA） +""" + +from __future__ import annotations + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +from Bio.PDB import PDBParser + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_module3_engineA import build_engine_entry, load_master_index_file +from molgate_ui.console_utf8 import configure_console_utf8, should_prompt_interactive +from molgate_ui.protein_families import family_needs_stage17_hitl + +configure_console_utf8() + +SCHEMA_VERSION = "0.3" +PREP_DECISIONS_SCHEMA = "0.3" + +CRYSTALLIZATION_HET: set[str] = { + "HOH", "WAT", "GOL", "EDO", "PEG", "MPD", + "SO4", "PO4", "ACT", "DMS", "FMT", "TRS", "MES", "EPE", + "CL", "NA", "K", "BR", "IOD", "NO3", "NH4", +} + +METAL_RESNAMES: set[str] = { + "ZN", "MG", "MN", "FE", "FE2", "FES", "CU", "NI", "CO", "MO", "W", "V", + "CD", "HG", "PT", "AU", "AG", "PB", "CA", "SR", "BA", "RB", "CS", "LI", + "CR", "EU", "GD", "SM", "IR", "RU", "RH", "OS", "RE", "TA", +} + + +def save_stage(session_dir: Path, stage: int, name: str, data: dict) -> dict: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_cleaned_pdb(session_dir: Path) -> Path: + path = session_dir / "protein" / "cleaned.pdb" + if not path.is_file(): + raise FileNotFoundError("找不到 cleaned.pdb，請先跑 Engine A") + return path + + +def infer_kept_chains(session_dir: Path, structure) -> list[str]: + s12 = session_dir / "stage_12_chains.json" + if s12.is_file(): + try: + data = json.loads(s12.read_text(encoding="utf-8")) + kc = data.get("kept_chains") + if isinstance(kc, list) and kc: + return kc + except (json.JSONDecodeError, OSError, KeyError): + pass + return sorted({c.id for m in structure for c in m}) + + +def load_prep_decisions(session_dir: Path) -> dict[str, Any]: + path = session_dir / "prep_decisions.json" + if path.is_file(): + return json.loads(path.read_text(encoding="utf-8")) + return { + "schema_version": PREP_DECISIONS_SCHEMA, + "decisions": {}, + "flags": [], + } + + +def save_prep_decisions(session_dir: Path, decisions: dict[str, Any]) -> None: + path = session_dir / "prep_decisions.json" + decisions = dict(decisions) + decisions["_timestamp"] = datetime.now().isoformat() + path.write_text(json.dumps(decisions, indent=2, ensure_ascii=False), encoding="utf-8") + + +def prompt_choice( + options: list[str], + label: str, + default: int = 0, + *, + non_interactive: bool = False, +) -> int: + if not should_prompt_interactive(non_interactive=non_interactive): + print(f" [AUTO] 非互動：{label} → 選項 [{default}]") + return default + print(f"\n ── {label} ──") + for i, opt in enumerate(options): + marker = "（預設）" if i == default else "" + print(f" [{i}] {opt}{marker}") + while True: + try: + raw = input(f" 請輸入編號（直接 Enter = {default}）：").strip() + if raw == "": + return default + idx = int(raw) + if 0 <= idx < len(options): + return idx + except (ValueError, KeyboardInterrupt): + pass + print(" 請輸入有效編號") + + +def prompt_yes_no( + question: str, + default: bool = True, + *, + non_interactive: bool = False, +) -> bool: + if not should_prompt_interactive(non_interactive=non_interactive): + print(f" [AUTO] 非互動：{question} → {'Y' if default else 'N'}") + return default + default_str = "Y/n" if default else "y/N" + while True: + try: + raw = input(f" {question} [{default_str}]：").strip().lower() + if raw == "": + return default + if raw in ("y", "yes"): + return True + if raw in ("n", "no"): + return False + except KeyboardInterrupt: + sys.exit(0) + print(" 請輸入 y 或 n") + + +def _cocrystal_resnames(entry: dict[str, Any]) -> set[str]: + names: set[str] = set() + for key in ("cocrystal_het", "het_id"): + v = entry.get(key) + if isinstance(v, str) and v.strip(): + names.add(v.strip().upper()) + try: + from molgate_ui.anchor_routing import parse_pocket_rule_het + + pr_het = parse_pocket_rule_het(str(entry.get("pocket_rule") or "")) + if pr_het: + names.add(pr_het) + except ImportError: + pass + return names + + +def _anchor_het_keep_keys( + entry: dict[str, Any], + detected: list[dict[str, Any]], +) -> set[tuple[str, str, Any]]: + """Never strip anchor/cocrystal HET instances during Stage 15 removal.""" + anchor = _cocrystal_resnames(entry) + if not anchor: + return set() + return {_het_key(d) for d in detected if str(d.get("resname") or "").upper() in anchor} + + +def _normalize_override(raw: Any) -> dict[str, str]: + if not isinstance(raw, dict): + return {} + out: dict[str, str] = {} + for k, v in raw.items(): + if isinstance(k, str) and v is not None: + out[k.strip()] = str(v).strip() + return out + + +def _het_key(d: dict[str, Any]) -> tuple[str, str, Any]: + return ( + str(d.get("resname", "")).strip().upper(), + str(d.get("chain", "")).strip(), + d.get("resseq"), + ) + + +def detect_cofactor_candidates( + entry: dict[str, Any], + structure, + kept_chains: list[str], +) -> tuple[list[dict[str, Any]], list[str]]: + """Scan cleaned PDB for cofactor/metal HETATM (excludes cocrystal & crystallization).""" + cocrystal = _cocrystal_resnames(entry) + detected: list[dict[str, Any]] = [] + seen: set[tuple[str, str, Any]] = set() + + for model in structure: + for chain in model: + if chain.id not in kept_chains: + continue + for res in chain: + resname = res.get_resname().strip().upper() + hetflag = res.get_id()[0].strip() + if not (hetflag == "H_" or hetflag.startswith("H")): + continue + if resname in cocrystal: + continue + if resname in METAL_RESNAMES: + key = (resname, chain.id, res.get_id()[1]) + if key not in seen: + seen.add(key) + detected.append({ + "resname": resname, + "chain": chain.id, + "resseq": res.get_id()[1], + "kind": "metal", + }) + continue + if resname in CRYSTALLIZATION_HET: + continue + key = (resname, chain.id, res.get_id()[1]) + if key not in seen: + seen.add(key) + detected.append({ + "resname": resname, + "chain": chain.id, + "resseq": res.get_id()[1], + "kind": "het", + }) + + index_flagged: list[str] = [] + cofactor_index = entry.get("cofactor") + metal_index = entry.get("metal") + if cofactor_index: + index_flagged.append(f"cofactor:{cofactor_index}") + if metal_index: + index_flagged.append(f"metal:{metal_index}") + + return detected, index_flagged + + +def detect_stage15_from_session( + session_dir: Path, + target: str, + *, + index_path: Path | None = None, +) -> dict[str, Any]: + """Preview Stage 15 cofactor/metal candidates (no stage files written).""" + master = load_master_index_file(index_path) + entry = build_engine_entry(master, target, session_dir) + pdb_id = (entry.get("pdb_id") or "").upper() + if not pdb_id: + raise ValueError("index entry missing pdb_id") + + cleaned_path = load_cleaned_pdb(session_dir) + parser = PDBParser(QUIET=True) + structure = parser.get_structure(pdb_id, str(cleaned_path)) + kept_chains = infer_kept_chains(session_dir, structure) + detected, index_flagged = detect_cofactor_candidates(entry, structure, kept_chains) + return { + "ok": True, + "target": target.upper(), + "pdb_id": pdb_id, + "kept_chains": kept_chains, + "detected": detected, + "index_flagged": index_flagged, + "needs_confirm": bool(detected or index_flagged), + "count": len(detected), + } + + +def stage15_cofactor( + entry: dict[str, Any], + structure, + kept_chains: list[str], + session_dir: Path, + *, + non_interactive: bool, + auto_action: str = "", + selective_keep: list[dict[str, Any]] | None = None, +) -> dict[str, Any]: + print("\n[Stage 15] 輔因子／金屬處理...") + + detected, index_flagged = detect_cofactor_candidates(entry, structure, kept_chains) + needs_confirm = len(detected) > 0 or len(index_flagged) > 0 + + if not needs_confirm: + print(" ✓ 無需確認的輔因子／金屬候選，一路向下（AUTO）") + print(" → Status: AUTO") + return save_stage(session_dir, 15, "cofactor", { + "status": "AUTO", + "detected": [], + "index_flagged": [], + "action": "none", + "kept": [], + "removed": [], + }) + + print(" ⚠ 偵測到輔因子／金屬候選（人機確認）：") + for d in detected: + print(f" [{d.get('kind', 'het')}] {d['resname']} chain {d['chain']} res {d['resseq']}") + for f in index_flagged: + print(f" Master Index 標記：{f}") + + if needs_confirm: + if non_interactive: + if selective_keep is None: + print(" ❌ 偵測到輔因子／金屬候選，必須由使用者逐項決定。") + print(" 系統不會自動移除或保留任何項目。") + print(" 請於 Module 3 UI 勾選後確認，或以 --het-keep-json 傳入您的選擇。") + sys.exit(1) + keep_set = {_het_key(d) for d in selective_keep} + keep_set |= _anchor_het_keep_keys(entry, detected) + kept = [] + removed = [] + for d in detected: + label = f"{d['resname']}:{d['chain']}:{d['resseq']}" + if _het_key(d) in keep_set: + kept.append(label) + print(f" ✓ 保留：{label}") + else: + removed.append(d["resname"]) + print(f" ✗ 移除：{label}") + print(" → Status: MANUAL (使用者逐項確認)") + return save_stage(session_dir, 15, "cofactor", { + "status": "MANUAL", + "detected": detected, + "index_flagged": index_flagged, + "action": "selective", + "kept": kept, + "removed": removed, + "selective_keep": selective_keep, + }) + + idx = prompt_choice( + ["移除全部（預設安全）", "全部保留", "逐一確認"], + label="輔因子／金屬處理方式", + default=0, + non_interactive=non_interactive, + ) + + anchor_keep = _anchor_het_keep_keys(entry, detected) + if idx == 0: + action = "remove_all" + kept = [ + f"{d['resname']}:{d['chain']}:{d['resseq']}" + for d in detected + if _het_key(d) in anchor_keep + ] + removed = [ + d["resname"] + for d in detected + if _het_key(d) not in anchor_keep + ] + index_flagged + if kept: + print(f" ✓ 保留 anchor HET（共晶／口袋定義）：{', '.join(kept)}") + print(" ✓ 選擇：移除全部（anchor HET 除外）") + status = "MANUAL" + elif idx == 1: + action = "keep_all" + kept = [d["resname"] for d in detected] + index_flagged + removed = [] + print(" ✓ 選擇：保留全部") + status = "MANUAL" + else: + kept = [] + removed = [] + for d in detected: + keep = prompt_yes_no( + f"保留 {d['resname']} chain {d['chain']}？", + default=False, + ) + if keep: + kept.append(d["resname"]) + else: + removed.append(d["resname"]) + action = "selective" + status = "MANUAL" + + print(f" → Status: {status}") + return save_stage(session_dir, 15, "cofactor", { + "status": status, + "detected": detected, + "index_flagged": index_flagged, + "action": action, + "kept": kept, + "removed": removed, + }) + + +def flag16_propka(session_dir: Path) -> dict[str, Any]: + print("\n[Flag 16] PROPKA 滴定態（占位，併入 Engine B）...") + print(" → Flag: PROPKA_SKIPPED") + print(" → Status: SKIPPED") + return save_stage(session_dir, 16, "propka", { + "status": "SKIPPED", + "flag": "PROPKA_SKIPPED", + "note": "快速版占位。正式版需 PROPKA/PDB2PQR 並重跑。", + }) + + +def stage17_override( + entry: dict[str, Any], + session_dir: Path, + *, + non_interactive: bool, +) -> dict[str, Any]: + print("\n[Stage 17] 關鍵殘基 Override...") + + family = entry.get("family", "default") + override = _normalize_override(entry.get("override")) + needs_hitl = family_needs_stage17_hitl(entry) or len(override) > 0 + + if not needs_hitl: + print(f" ✓ family={family}，非 GPCR／金屬酶優先類別且無 Index override，一路向下（AUTO）") + print(" → Status: AUTO") + return save_stage(session_dir, 17, "override", { + "status": "AUTO", + "family": family, + "override_rules": {}, + }) + + print(f" ⚠ 需確認：family={family}（GPCR／金屬酶相關或具 Index override）") + + if override: + print(f" Master Index override 建議（{len(override)} 項）：") + for residue, rule in override.items(): + print(f" {residue} → {rule}") + else: + print(" Master Index 無預設 override，請自行確認質子化／關鍵殘基敘述") + + if non_interactive: + final_rules = dict(override) + print(" ✓ --non-interactive：採用 Index 之 override（無則空）") + return save_stage(session_dir, 17, "override", { + "status": "AUTO", + "family": family, + "override_rules": final_rules, + }) + + final_rules: dict[str, str] = {} + status = "MANUAL" + + if override: + accepted = prompt_yes_no( + "接受上述 override 建議？", + default=True, + non_interactive=non_interactive, + ) + if accepted: + final_rules = dict(override) + print(" ✓ 接受建議 override") + else: + print(" 手動輸入 override（格式：殘基鍵=狀態，例 HIS114=protonated）") + print(" 輸入 done 或空白行結束") + while True: + try: + raw = input(" 輸入：").strip() + if raw.lower() == "done" or raw == "": + break + if "=" in raw: + k, v = raw.split("=", 1) + final_rules[k.strip()] = v.strip() + print(f" ✓ 加入：{k.strip()} → {v.strip()}") + except KeyboardInterrupt: + break + else: + print(" 手動輸入 override（殘基鍵=狀態）；直接 Enter 結束＝無 override") + while True: + try: + raw = input(" 輸入：").strip() + if raw.lower() == "done" or raw == "": + break + if "=" in raw: + k, v = raw.split("=", 1) + final_rules[k.strip()] = v.strip() + print(f" ✓ 加入：{k.strip()} → {v.strip()}") + except KeyboardInterrupt: + break + + print(f" → Status: {status}") + return save_stage(session_dir, 17, "override", { + "status": status, + "family": family, + "override_rules": final_rules, + }) + + +def flag18_saltbridge(session_dir: Path) -> dict[str, Any]: + print("\n[Flag 18] 鹽橋分析（占位，併入 Engine B）...") + print(" → Flag: SALT_BRIDGE_SKIPPED") + print(" → Status: SKIPPED") + return save_stage(session_dir, 18, "saltbridge", { + "status": "SKIPPED", + "flag": "SALT_BRIDGE_SKIPPED", + "note": "快速版占位。正式版需 PROPKA 完成後再分析。", + }) + + +def _merge_flags(existing: list[Any], new_flags: list[str]) -> list[str]: + out: list[str] = [] + for x in existing or []: + if isinstance(x, str) and x not in out: + out.append(x) + for f in new_flags: + if f not in out: + out.append(f) + return out + + +def _update_manifest_engine_b(session_dir: Path, prep_path: Path) -> None: + try: + from molgate_manifest import read_manifest, rel_path, write_manifest + except ImportError: + return + mp = session_dir / "molgate_run_manifest.json" + if not mp.is_file(): + return + try: + m = read_manifest(session_dir) + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + rmap["prep_decisions"] = rel_path(session_dir, prep_path) + paths["relative"] = rmap + paths["prep_decisions_absolute"] = str(prep_path.resolve()) + ns = dict(paths.get("next_step") or {}) + ns["after_module3_engine_b"] = { + "read_prep_decisions_from": rmap["prep_decisions"], + "hint": "下一步：Engine C（receptor.pdbqt，Stage 19/20）；需 ready_for_engine_e=true", + } + paths["next_step"] = ns + m["paths"] = paths + pl = dict(m.get("pipeline") or {}) + pl["module3_engine_b"] = { + "status": "complete", + "completed_at": datetime.now().isoformat(), + "stages": ["15", "16", "17", "18"], + } + m["pipeline"] = pl + summ = dict(m.get("summary") or {}) + summ["prep_decisions_relative"] = rmap["prep_decisions"] + summ["ready_for_engine_e"] = True + m["summary"] = summ + write_manifest(session_dir, m) + except Exception: + pass + + +def run_engine_b( + session_dir: Path, + target: str, + *, + index_path: Path | None = None, + skip_manifest_target_check: bool = False, + non_interactive: bool = False, + stage15_keep: list[dict[str, Any]] | None = None, +) -> dict[str, Any]: + print("=" * 55) + print(" MolGate — Module 3 Engine B（人機決策層）") + print(" Stage 15 → Flag 16 → Stage 17 → Flag 18 → prep_decisions.json") + print("=" * 55) + + try: + master = load_master_index_file(index_path) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + + try: + entry = build_engine_entry(master, target, session_dir) + except KeyError: + print( + f"[ERROR] Target '{target}' 不在 Master Index，" + "且 session 內無 session_index.json" + ) + sys.exit(1) + + if entry.get("allowed") is False: + print(f"❌ Target '{target}' 在 Master Index 標記為 allowed=false，已中止") + sys.exit(1) + + if not skip_manifest_target_check: + try: + from molgate_manifest import validate_target_matches_manifest + + validate_target_matches_manifest(session_dir, target) + except FileNotFoundError: + pass + except ValueError as e: + print(f"❌ {e}") + sys.exit(1) + + pdb_id = (entry.get("pdb_id") or "").upper() + if not pdb_id: + print("❌ 條目缺少 pdb_id") + sys.exit(1) + + try: + cleaned_path = load_cleaned_pdb(session_dir) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + + parser = PDBParser(QUIET=True) + structure = parser.get_structure(pdb_id, str(cleaned_path)) + kept_chains = infer_kept_chains(session_dir, structure) + + print(f"\n Target：{target.upper()} | PDB：{pdb_id}") + print(f" cleaned.pdb：{cleaned_path}") + print(f" kept_chains：{kept_chains}") + + try: + r15 = stage15_cofactor( + entry, + structure, + kept_chains, + session_dir, + non_interactive=non_interactive, + auto_action="", + selective_keep=stage15_keep, + ) + r16 = flag16_propka(session_dir) + r17 = stage17_override( + entry, + session_dir, + non_interactive=non_interactive, + ) + r18 = flag18_saltbridge(session_dir) + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + prep = load_prep_decisions(session_dir) + prep["schema_version"] = PREP_DECISIONS_SCHEMA + prep["target"] = target.upper() + prep["pdb_id"] = pdb_id + ch = entry.get("cocrystal_het") or entry.get("het_id") + prep["cocrystal_het"] = ch.strip().upper() if isinstance(ch, str) and ch.strip() else None + + dec = dict(prep.get("decisions") or {}) + dec["stage15_cofactor"] = { + "action": r15["action"], + "kept": r15["kept"], + "removed": r15["removed"], + "detected": r15["detected"], + "index_flagged": r15["index_flagged"], + "status": r15["status"], + } + dec["stage16_propka"] = { + "status": r16["status"], + "flag": r16.get("flag"), + "note": r16.get("note"), + } + dec["stage17_override"] = { + "rules": r17["override_rules"], + "family": r17["family"], + "status": r17["status"], + } + dec["stage18_saltbridge"] = { + "status": r18["status"], + "flag": r18.get("flag"), + "note": r18.get("note"), + } + prep["decisions"] = dec + + prep["engines"] = dict(prep.get("engines") or {}) + prep["engines"]["engine_b"] = { + "status": "complete", + "completed_at": datetime.now().isoformat(), + "stages": ["15", "16", "17", "18"], + } + + flags: list[str] = [] + if r16.get("flag"): + flags.append(str(r16["flag"])) + if r18.get("flag"): + flags.append(str(r18["flag"])) + if r15["status"] == "MANUAL": + flags.append("STAGE15_MANUAL_COFACTOR") + if r17["status"] == "MANUAL": + flags.append("STAGE17_MANUAL_OVERRIDE") + prep["flags"] = _merge_flags(prep.get("flags"), flags) + + prep["ready_for_engine_e"] = True + + prep_path = session_dir / "prep_decisions.json" + save_prep_decisions(session_dir, prep) + _update_manifest_engine_b(session_dir, prep_path) + + print("\n" + "=" * 55) + print(" Engine B 完成 ✓") + print(" ready_for_engine_e = true") + print(f" 契約：{prep_path}") + print(f" Session：{session_dir}") + print("=" * 55) + + return { + "stage15": r15, + "stage16": r16, + "stage17": r17, + "stage18": r18, + "prep_decisions": str(prep_path), + } + + +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 3 Engine B") + ap.add_argument("--session-dir", required=True) + ap.add_argument("--target", required=True) + ap.add_argument( + "--index", + type=Path, + default=None, + help="Master Index JSON（預設：MolGate 目錄下 master_index.json）", + ) + ap.add_argument( + "--skip-manifest-target-check", + action="store_true", + help="不與 molgate_run_manifest.json 的 target 交叉驗證", + ) + ap.add_argument( + "--non-interactive", + action="store_true", + help="Stage 15／17 不詢問（15 有候選時必須 --het-keep-json；17 採 Index override）", + ) + ap.add_argument( + "--het-keep-json", + type=Path, + default=None, + help="Stage 15 使用者逐項選擇：JSON 陣列 [{resname, chain, resseq}, ...] 要保留的項目", + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + keep_list: list[dict[str, Any]] | None = None + if args.het_keep_json: + if not args.het_keep_json.is_file(): + print(f"❌ het-keep-json 不存在：{args.het_keep_json}") + sys.exit(1) + keep_list = json.loads(args.het_keep_json.read_text(encoding="utf-8")) + + run_engine_b( + sd, + args.target, + index_path=args.index, + skip_manifest_target_check=args.skip_manifest_target_check, + non_interactive=args.non_interactive, + stage15_keep=keep_list, + ) diff --git a/engines/molgate_module3_engineC.py b/engines/molgate_module3_engineC.py new file mode 100644 index 0000000000000000000000000000000000000000..eb27578f4a6a14a8b95f0f6cacb1c45b2d73ae62 --- /dev/null +++ b/engines/molgate_module3_engineC.py @@ -0,0 +1,577 @@ +""" +MolGate — Module 3: Protein Preparation（Engine C） +Stage 19：自 cleaned.pdb 產出 apo 受體 receptor.pdbqt（auto：預設先 Meeko，再 Open Babel，最後 MGLTools） +Stage 20：幾何／結構 QC（輕量占位） + +輸入：protein/cleaned.pdb、prep_decisions.json（須 ready_for_engine_e = true） +依賴：biopython、RDKit（Meeko 路徑）；可選 PATH 有 obabel（部分 Windows 安裝無 pdbqt 寫出）；可選 MGLTools prepare_receptor4.py +""" + +from __future__ import annotations + +import argparse +import json +import os +import re +import shutil +import subprocess +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +from Bio.PDB import PDBIO, PDBParser, Select +from Bio.PDB.Polypeptide import is_aa + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8 + +configure_console_utf8() + +SCHEMA_VERSION = "0.3" + + +class ApoProteinSelect(Select): + """保留胺基酸主體／常見修飾殘基，排除水與非蛋白 HET。""" + + def accept_residue(self, residue): + rn = residue.get_resname().strip().upper() + if rn in ("HOH", "WAT"): + return False + return is_aa(residue, standard=False) + + +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_cleaned_pdb(session_dir: Path) -> Path: + p = session_dir / "protein" / "cleaned.pdb" + if not p.is_file(): + raise FileNotFoundError("找不到 protein/cleaned.pdb，請先跑 Engine A") + return p + + +def load_prep_decisions(session_dir: Path) -> dict[str, Any]: + path = session_dir / "prep_decisions.json" + if not path.is_file(): + raise FileNotFoundError("找不到 prep_decisions.json，請先跑 Engine B") + return json.loads(path.read_text(encoding="utf-8")) + + +def _write_apo_pdb(structure, out_pdb: Path) -> None: + out_pdb.parent.mkdir(parents=True, exist_ok=True) + io = PDBIO() + io.set_structure(structure) + io.save(str(out_pdb), ApoProteinSelect()) + + +def _run_cmd(argv: list[str], *, cwd: Path | None = None, timeout: int = 300) -> tuple[int, str]: + try: + r = subprocess.run( + argv, + capture_output=True, + text=True, + timeout=timeout, + check=False, + cwd=str(cwd) if cwd else None, + ) + except (OSError, subprocess.TimeoutExpired) as e: + return -1, str(e) + out = ((r.stderr or "") + "\n" + (r.stdout or "")).strip() + return r.returncode, out + + +def _obabel_format_probe(exe: str) -> str: + """回傳 obabel -L formats 摘要，用於診斷是否支援 pdbqt 寫出。""" + code, msg = _run_cmd([exe, "-L", "formats"], timeout=30) + if code != 0 or not msg: + return f"無法列出格式（exit {code}）：{msg[:400]}" + low = msg.lower() + if "pdbqt" in low: + return "此 obabel 的格式清單內含 pdbqt（理論上可寫 pdbqt）；若仍失敗請檢查參數或改用 --engine meeko / mgltools。" + return ( + "此 obabel 的格式清單內未見 pdbqt — 常見於精簡編譯，無法用 obabel 寫 receptor.pdbqt。" + " 請改用：--engine meeko，或安裝含 pdbqt 的 Open Babel，或使用 MGLTools prepare_receptor4.py。" + ) + + +def _obabel_executables() -> list[str]: + out: list[str] = [] + for name in ("obabel", "babel"): + p = shutil.which(name) + if p and p not in out: + out.append(p) + return out + + +def _obabel_pdb_to_pdbqt(pdb_in: Path, pdbqt_out: Path) -> tuple[bool, str]: + """多種 obabel/babel 寫法；Windows 若編譯未含 pdbqt 會回 False。""" + exes = _obabel_executables() + if not exes: + return False, "PATH 中找不到 obabel 或 babel" + + pdb_in = pdb_in.resolve() + pdbqt_out = pdbqt_out.resolve() + pdbqt_out.parent.mkdir(parents=True, exist_ok=True) + if pdbqt_out.is_file(): + pdbqt_out.unlink() + + # Open Babel 3.x：輸出格式建議用 -of pdbqt，且 -O 指定檔名；順序依官方說明調整 + variants: list[list[str]] = [] + for obabel in exes: + variants.extend( + [ + [obabel, "-ipdb", str(pdb_in), "-O", str(pdbqt_out), "-of", "pdbqt"], + [obabel, str(pdb_in), "-O", str(pdbqt_out), "-of", "pdbqt"], + # 舊式 -opdbqt（部分環境仍吃） + [obabel, "-ipdb", str(pdb_in), "-opdbqt", "-O", str(pdbqt_out)], + [obabel, str(pdb_in), "-O", str(pdbqt_out), "-opdbqt"], + [obabel, "-ipdb", str(pdb_in), "-O", str(pdbqt_out), "-opdbqt"], + [obabel, str(pdb_in), "-O", str(pdbqt_out)], + [obabel, "-ipdb", str(pdb_in), "-O", str(pdbqt_out)], + ] + ) + + last_err = "" + primary_exe = exes[0] + for argv in variants: + code, msg = _run_cmd(argv) + if pdbqt_out.is_file() and pdbqt_out.stat().st_size >= 20: + return True, "" + last_err = msg or f"exit {code}" + + probe = _obabel_format_probe(primary_exe) + return False, f"{last_err}\n[obabel 診斷] {probe}" + + +def _meeko_try_write( + pdb_in: Path, + pdbqt_out: Path, + *, + allow_bad_res: bool, +) -> tuple[bool, str]: + argv = [ + sys.executable, + "-m", + "meeko.cli.mk_prepare_receptor", + "--read_pdb", + str(pdb_in), + "--write_pdbqt", + str(pdbqt_out), + ] + if allow_bad_res: + argv.append("--allow_bad_res") + code, msg = _run_cmd(argv, cwd=pdbqt_out.parent) + if pdbqt_out.is_file() and pdbqt_out.stat().st_size >= 20: + return True, "" + stem = pdbqt_out.with_suffix("") + alt = Path(str(stem) + "_rigid.pdbqt") + if alt.is_file() and alt.stat().st_size >= 20: + alt.replace(pdbqt_out) + return True, "" + return False, msg or f"meeko exit {code}" + + +def _meeko_pdb_to_pdbqt(pdb_in: Path, pdbqt_out: Path) -> tuple[bool, str]: + """Meeko mk_prepare_receptor（不依賴 obabel pdbqt）。失敗時以 --allow_bad_res 重試（交聯殘基等）。""" + pdb_in = pdb_in.resolve() + pdbqt_out = pdbqt_out.resolve() + pdbqt_out.parent.mkdir(parents=True, exist_ok=True) + + def _cleanup_out() -> None: + if pdbqt_out.is_file(): + pdbqt_out.unlink() + stem = pdbqt_out.with_suffix("") + alt = Path(str(stem) + "_rigid.pdbqt") + if alt.is_file(): + alt.unlink() + + _cleanup_out() + ok, err = _meeko_try_write(pdb_in, pdbqt_out, allow_bad_res=False) + if ok: + return True, "" + + _cleanup_out() + ok2, err2 = _meeko_try_write(pdb_in, pdbqt_out, allow_bad_res=True) + if ok2: + print( + " ⚠ Meeko 已使用 --allow_bad_res（模板無法匹配的殘基已略過， docking 前請確認）", + ) + return True, "" + + # 2HU4 這類多聚體偶發跨殘基錯誤時，嘗試排除問題鏈再重試 + bond_pairs = re.findall(r"\(([A-Za-z0-9]):\d+,\s*([A-Za-z0-9]):\d+\)", f"{err}\n{err2}") + bad_chains = sorted({c for a, b in bond_pairs for c in (a, b)}) + if bad_chains: + sanitized_pdb = pdbqt_out.parent / "apo_for_docking_sanitized.pdb" + try: + kept = 0 + with pdb_in.open("r", encoding="utf-8", errors="replace") as fin, sanitized_pdb.open( + "w", + encoding="utf-8", + ) as fout: + for line in fin: + rec = line[:6] + if rec.startswith(("ATOM ", "HETATM", "ANISOU")) and len(line) > 21: + if line[21] in bad_chains: + continue + kept += 1 + fout.write(line) + if kept > 0: + _cleanup_out() + ok3, err3 = _meeko_try_write(sanitized_pdb, pdbqt_out, allow_bad_res=False) + if ok3: + print( + f" ⚠ Meeko fallback：排除問題鏈 {bad_chains} 後成功產生 receptor.pdbqt", + ) + return True, "" + _cleanup_out() + ok4, err4 = _meeko_try_write(sanitized_pdb, pdbqt_out, allow_bad_res=True) + if ok4: + print( + f" ⚠ Meeko fallback：排除問題鏈 {bad_chains} + --allow_bad_res 後成功", + ) + return True, "" + err2 = f"{err2}\nmeeko（sanitize chains {bad_chains}）：{err3}\nmeeko（sanitize+allow_bad_res）：{err4}" + except OSError as e: + err2 = f"{err2}\nmeeko sanitize fallback 失敗: {e}" + + return False, f"meeko：{err}\nmeeko（--allow_bad_res）：{err2}" + + +def _find_mgltools_prepare_script() -> tuple[Path, Path] | None: + """ + 回傳 (python.exe, prepare_receptor4.py)；找不到則 None。 + 可用環境變數 MGLTOOLS_ROOT 覆寫安裝根目錄。 + """ + roots: list[Path] = [] + env_root = os.environ.get("MGLTOOLS_ROOT", "").strip() + if env_root: + roots.append(Path(env_root)) + roots.extend( + [ + Path(r"C:\Program Files (x86)\MGLTools-1.5.7"), + Path(r"C:\Program Files\MGLTools-1.5.7"), + ] + ) + script_names = ( + Path("Lib") / "site-packages" / "AutoDockTools" / "Utilities24" / "prepare_receptor4.py", + Path("lib") / "site-packages" / "AutoDockTools" / "Utilities24" / "prepare_receptor4.py", + Path("MGLToolsPckgs") / "AutoDockTools" / "Utilities24" / "prepare_receptor4.py", + ) + seen: set[Path] = set() + for root in roots: + try: + root = root.resolve() + except OSError: + continue + if root in seen: + continue + seen.add(root) + py = root / "python.exe" + if not py.is_file(): + continue + for rel in script_names: + script = root / rel + if script.is_file(): + return py, script + return None + + +def _mgltools_pdb_to_pdbqt(pdb_in: Path, pdbqt_out: Path) -> tuple[bool, str]: + found = _find_mgltools_prepare_script() + if not found: + return False, "找不到 MGLTools（prepare_receptor4.py）。可設定 MGLTOOLS_ROOT 或安裝 MGLTools 1.5.x。" + py_exe, script = found + pdb_in = pdb_in.resolve() + pdbqt_out = pdbqt_out.resolve() + pdbqt_out.parent.mkdir(parents=True, exist_ok=True) + if pdbqt_out.is_file(): + pdbqt_out.unlink() + argv = [ + str(py_exe), + str(script), + "-r", + str(pdb_in), + "-o", + str(pdbqt_out), + "-A", + "hydrogens", + ] + code, msg = _run_cmd(argv, timeout=600) + if pdbqt_out.is_file() and pdbqt_out.stat().st_size >= 20: + return True, "" + return False, msg or f"MGLTools prepare_receptor4 exit {code}" + + +def _pdb_to_pdbqt( + pdb_in: Path, + pdbqt_out: Path, + *, + engine: str, +) -> tuple[bool, str, str]: + """ + engine: auto | obabel | meeko | mgltools + 回傳 (ok, error_message, used_engine_label) + """ + if engine == "obabel": + ok, err = _obabel_pdb_to_pdbqt(pdb_in, pdbqt_out) + return ok, err, "obabel" + if engine == "meeko": + ok, err = _meeko_pdb_to_pdbqt(pdb_in, pdbqt_out) + return ok, err, "meeko" + if engine == "mgltools": + ok, err = _mgltools_pdb_to_pdbqt(pdb_in, pdbqt_out) + return ok, err, "mgltools" + + # auto：meeko → obabel → MGLTools（與多數 Windows 環境一致：先求 Vina 相容 PDBQT，再備援） + ok, err = _meeko_pdb_to_pdbqt(pdb_in, pdbqt_out) + if ok: + return True, "", "meeko" + ok2, err2 = _obabel_pdb_to_pdbqt(pdb_in, pdbqt_out) + if ok2: + return True, "", "obabel" + ok3, err3 = _mgltools_pdb_to_pdbqt(pdb_in, pdbqt_out) + if ok3: + return True, "", "mgltools" + return False, f"meeko: {err}\nobabel: {err2}\nmgltools: {err3}", "" + + +def stage19_receptor( + session_dir: Path, + pdb_id: str, + cleaned_path: Path, + *, + engine: str = "auto", +) -> dict[str, Any]: + print("\n[Stage 19] Receptor 準備（apo → PDBQT）...") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure(pdb_id, str(cleaned_path)) + + apo_pdb = session_dir / "protein" / "apo_for_docking.pdb" + _write_apo_pdb(structure, apo_pdb) + print(f" ✓ 寫入 apo PDB：{apo_pdb}") + + out_pdbqt = session_dir / "protein" / "receptor.pdbqt" + ok, err, used = _pdb_to_pdbqt(apo_pdb, out_pdbqt, engine=engine) + if ok: + print(f" ✓ receptor.pdbqt：{out_pdbqt}（引擎：{used}）") + return save_stage(session_dir, 19, "receptor_pdbqt", { + "status": "PASS", + "engine": used, + "apo_pdb": str(apo_pdb.as_posix()), + "receptor_pdbqt": str(out_pdbqt.as_posix()), + }) + + print(f" ❌ PDBQT 轉換失敗：{err}") + return save_stage(session_dir, 19, "receptor_pdbqt", { + "status": "FAIL", + "engine": used or engine, + "apo_pdb": str(apo_pdb.as_posix()), + "receptor_pdbqt": None, + "error": err, + }) + + +def stage20_geometry_qc(session_dir: Path, pdb_id: str, cleaned_path: Path) -> dict[str, Any]: + print("\n[Stage 20] 受體幾何 QC（輕量）...") + + parser = PDBParser(QUIET=True) + structure = parser.get_structure(pdb_id, str(cleaned_path)) + + n_chain = 0 + n_aa = 0 + for model in structure: + for chain in model: + n_chain += 1 + for res in chain: + if is_aa(res, standard=False) and res.get_resname().strip().upper() not in ( + "HOH", + "WAT", + ): + n_aa += 1 + + status = "PASS" if n_aa > 0 else "WARN" + if status == "WARN": + print(" ⚠ 可辨識胺基酸殘基過少，請檢查 cleaned.pdb") + else: + print(f" ✓ Chains（模型內列舉）：{n_chain} | 胺基酸殘基（約）：{n_aa}") + + print(" → Status:", status) + print(" （正式版可接 RDKit／clash 檢查／fpocket 等）") + + return save_stage(session_dir, 20, "receptor_geometry_qc", { + "status": status, + "chain_count": n_chain, + "approx_aa_residues": n_aa, + "note": "占位：僅計數。深度幾何 QC 待擴充。", + }) + + +def _update_manifest_engine_c(session_dir: Path, pdbqt_path: Path | None) -> None: + try: + from molgate_manifest import read_manifest, rel_path, write_manifest + except ImportError: + return + mp = session_dir / "molgate_run_manifest.json" + if not mp.is_file(): + return + try: + m = read_manifest(session_dir) + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + if pdbqt_path and pdbqt_path.is_file(): + rmap["receptor_pdbqt"] = rel_path(session_dir, pdbqt_path) + paths["receptor_pdbqt_absolute"] = str(pdbqt_path.resolve()) + paths["relative"] = rmap + ns = dict(paths.get("next_step") or {}) + ns["after_module3_engine_c"] = { + "receptor_pdbqt": rmap.get("receptor_pdbqt"), + "hint": "可搭配 Module 2 之 ligand_pdbqt 執行 AutoDock Vina", + } + paths["next_step"] = ns + m["paths"] = paths + pl = dict(m.get("pipeline") or {}) + pl["module3_engine_c"] = { + "status": "complete", + "completed_at": datetime.now().isoformat(), + "stages": ["19", "20"], + } + m["pipeline"] = pl + summ = dict(m.get("summary") or {}) + if pdbqt_path and pdbqt_path.is_file(): + summ["receptor_pdbqt_relative"] = rmap.get("receptor_pdbqt") + m["summary"] = summ + write_manifest(session_dir, m) + except Exception: + pass + + +def run_engine_c( + session_dir: Path, + target: str, + *, + skip_ready_check: bool = False, + skip_manifest_target_check: bool = False, + stage19_engine: str = "auto", +) -> dict[str, Any]: + print("=" * 55) + print(" MolGate — Module 3 Engine C（Receptor 準備）") + print(" Stage 19/20 → protein/receptor.pdbqt") + print("=" * 55) + + if not skip_manifest_target_check: + try: + from molgate_manifest import validate_target_matches_manifest + + validate_target_matches_manifest(session_dir, target) + except FileNotFoundError: + pass + except ValueError as e: + print(f"❌ {e}") + sys.exit(1) + + prep = load_prep_decisions(session_dir) + if not skip_ready_check and not prep.get("ready_for_engine_e"): + print("❌ prep_decisions.json 尚未標記 ready_for_engine_e=true，請先完成 Engine B") + sys.exit(1) + + pt = (prep.get("target") or "").strip().upper() + if pt and pt != target.strip().upper(): + print(f"❌ prep_decisions.target={prep.get('target')!r} 與 --target={target!r} 不一致") + sys.exit(1) + + pdb_id = (prep.get("pdb_id") or "").strip().upper() + if not pdb_id: + print("❌ prep_decisions 缺少 pdb_id") + sys.exit(1) + + cleaned_path = load_cleaned_pdb(session_dir) + print(f"\n Target：{target.upper()} | PDB：{pdb_id}") + print(f" cleaned.pdb：{cleaned_path}") + + try: + r19 = stage19_receptor( + session_dir, + pdb_id, + cleaned_path, + engine=stage19_engine, + ) + r20 = stage20_geometry_qc(session_dir, pdb_id, cleaned_path) + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + pdbqt_path = session_dir / "protein" / "receptor.pdbqt" + if r19.get("status") == "PASS": + _update_manifest_engine_c(session_dir, pdbqt_path) + + print("\n" + "=" * 55) + print(" Engine C 完成") + if r19.get("status") == "PASS": + print(f" 輸出：{pdbqt_path}") + else: + print( + " Stage 19 未產出 receptor.pdbqt（可試：obabel 含 pdbqt 編譯、" + "--engine meeko、--engine mgltools，或手動轉 apo_for_docking.pdb）" + ) + print("=" * 55) + + if r19.get("status") != "PASS": + sys.exit(1) + + return {"stage19": r19, "stage20": r20} + + +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 3 Engine C") + ap.add_argument("--session-dir", required=True) + ap.add_argument("--target", required=True) + ap.add_argument( + "--skip-ready-check", + action="store_true", + help="不檢查 ready_for_engine_e（僅除錯用）", + ) + ap.add_argument( + "--skip-manifest-target-check", + action="store_true", + help="不與 molgate_run_manifest.json 的 target 交叉驗證", + ) + ap.add_argument( + "--engine", + choices=("auto", "obabel", "meeko", "mgltools"), + default="auto", + help=( + "PDB→PDBQT：auto＝meeko → obabel → MGLTools；" + "obabel 須為含 pdbqt 寫出之編譯；mgltools 需安裝 MGLTools（可設 MGLTOOLS_ROOT）" + ), + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + run_engine_c( + sd, + args.target, + skip_ready_check=args.skip_ready_check, + skip_manifest_target_check=args.skip_manifest_target_check, + stage19_engine=args.engine, + ) diff --git a/engines/molgate_module4_engineA.py b/engines/molgate_module4_engineA.py new file mode 100644 index 0000000000000000000000000000000000000000..ad1741550a0ed2cfdde27520c5bbf20567a5073c --- /dev/null +++ b/engines/molgate_module4_engineA.py @@ -0,0 +1,494 @@ +""" +MolGate — Module 4: Pocket Definition (Engine A) +Stage 21: HETATM scan & filter + +輸入：protein/cleaned.pdb（Module 3 Engine A）、prep_decisions.json（須 Module 3 Engine B 完成並 + ready_for_engine_e=true，與 Module 3 Engine C 前置條件一致） +輸出：stage_21_hetatm.json（候選配體列表；含 ligand_role=target/candidate） +規則：Master Index 之 het_id／cocrystal_het 白名單優先；糖基化／輔因子黑名單（輔因子可於 Index + 設 keep_cofactors 保留）；其餘套用緩衝離子黑名單與 MW 門檻。 +依賴：biopython, rdkit；讀 Index 時與 molgate_module3_engineA 共用載入邏輯。 +""" + +from __future__ import annotations + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +from Bio.PDB import PDBParser + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8 + +configure_console_utf8() + +SCHEMA_VERSION = "0.2" + +# ── 黑名單：緩衝劑、離子、溶劑 ─────────────────────── +BLACKLIST = { + "HOH","WAT","GOL","EDO","PEG","MPD","DMS","FMT", + "ACT","TRS","MES","EPE","BME","DTT","TCE","IMD", + "SO4","PO4","CIT","ACY","EOH","IPA","MOH","BOG", + "CL","NA","MG","ZN","CA","K","FE","MN","CU","NI", + "CO","CD","HG","PT","AU","AG","SR","BA","CS","RB", + "IOD","BR","F","LI","AL","SE", +} + +# ── 糖基化／寡糖常見殘基（非口袋藥物配體）──────────────── +GLYCAN_BLACKLIST = { + "NAG", "NGA", "BMA", "MAN", "GAL", "GLC", "GCS", "MAL", "MAB", "MBG", "BGC", + "FUC", "FUL", "RAM", "LFR", "GLO", "XYP", "XYS", "XYF", "XUL", + "SIA", "SLB", "A2G", "M6D", "MMA", "MGL", "NGK", "IDR", +} + +# ── 常見輔因子／核苷酸／金屬簇（非口袋配體；除非 Index 標記 keep_cofactors）── +COFACTOR_BLACKLIST = { + "HEM", "HEA", "HEB", "HEC", "HAS", "CHL", "BCL", "CLA", "FAD", "FMN", + "NAD", "NAP", "NAI", "NAO", "NAM", "NDP", "NDG", "NT2", "NAJ", "NAC", + "ATP", "ADP", "AMP", "ANP", "GTP", "GDP", "GMP", "GNP", + "UTP", "UDP", "UMP", "CTP", "CDP", "CMP", "TTP", "TDP", "TMP", + "COA", "SAM", "SAH", "ACO", "SCA", + "SF4", "FES", "F3S", "CLF", "CFM", "FSO", "FS4", + "PLP", "PLH", "PMP", "PSP", "MGD", "GTN", "Q10", "U10", "3CO", "CUA", "CU1", +} + +MW_CUTOFF = 150.0 # Da 以下排除（Master Index 標記之目標配體不受此限） + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + +def load_prep_decisions(session_dir: Path) -> dict[str, Any]: + path = session_dir / "prep_decisions.json" + if not path.is_file(): + raise FileNotFoundError( + "找不到 prep_decisions.json，請先完成 Module 3 Engine B（人機決策 → ready_for_engine_e）" + ) + return json.loads(path.read_text(encoding="utf-8")) + + +def validate_module3_prerequisites( + session_dir: Path, + target: str | None, + *, + skip_ready_check: bool = False, + skip_manifest_target_check: bool = False, +) -> dict[str, Any]: + """ + 與 molgate_module3_engineC 對齊：須 prep_decisions、ready_for_engine_e； + 若提供 --target 則與 manifest / prep_decisions.target 交叉驗證。 + """ + if target and not skip_manifest_target_check: + try: + from molgate_manifest import validate_target_matches_manifest + + validate_target_matches_manifest(session_dir, target) + except FileNotFoundError: + pass + except ValueError as e: + print(f"❌ {e}") + sys.exit(1) + + try: + prep = load_prep_decisions(session_dir) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + + if not skip_ready_check and not prep.get("ready_for_engine_e"): + print( + "❌ prep_decisions.json 尚未標記 ready_for_engine_e=true，請先完成 Module 3 Engine B" + ) + sys.exit(1) + + if target: + pt = (prep.get("target") or "").strip().upper() + if pt and pt != target.strip().upper(): + print( + f"❌ prep_decisions.target={prep.get('target')!r} 與 --target={target!r} 不一致" + ) + sys.exit(1) + + pdb_id = (prep.get("pdb_id") or "").strip().upper() + if not pdb_id: + print("❌ prep_decisions 缺少 pdb_id（請先完成 Module 3 Engine B）") + sys.exit(1) + + return prep + + +def load_cleaned_pdb(session_dir: Path) -> Path: + p = session_dir / "protein" / "cleaned.pdb" + if not p.is_file(): + raise FileNotFoundError( + "找不到 protein/cleaned.pdb，請先完成 Module 3 Engine A（產出 cleaned.pdb）" + ) + return p + + +def resolve_index_path(session_dir: Path, cli_index: Path | None) -> Path: + if cli_index is not None: + return cli_index + meta = session_dir / "session_meta.json" + if meta.is_file(): + try: + data = json.loads(meta.read_text(encoding="utf-8")) + p = data.get("index_path") + if isinstance(p, str) and p.strip(): + return Path(p) + except (json.JSONDecodeError, OSError): + pass + mp = session_dir / "molgate_run_manifest.json" + if mp.is_file(): + try: + data = json.loads(mp.read_text(encoding="utf-8")) + p = data.get("index_path") + if isinstance(p, str) and p.strip(): + return Path(p) + except (json.JSONDecodeError, OSError): + pass + return _PKG_ROOT / "master_index.json" + + +def load_target_index_entry( + session_dir: Path, + prep: dict[str, Any], + index_path: Path | None, +) -> dict[str, Any]: + """Master Index 條目（與 Module 3 對齊）；失敗時以 prep 的 cocrystal_het 等為後備。""" + target = (prep.get("target") or "").strip() + if not target: + return {} + resolved = resolve_index_path(session_dir, index_path) + try: + from molgate_module3_engineA import build_engine_entry, load_master_index_file + + master = load_master_index_file(resolved) + return build_engine_entry(master, target, session_dir) + except (FileNotFoundError, KeyError, OSError): + out: dict[str, Any] = {} + for k in ("cocrystal_het", "het_id"): + v = prep.get(k) + if isinstance(v, str) and v.strip(): + out[k] = v.strip() + ov = prep.get("override") + if isinstance(ov, dict): + out["override"] = ov + return out + + +def get_primary_het_ids(entry: dict[str, Any], prep: dict[str, Any]) -> set[str]: + """Master Index / prep 標記之共晶配體 ID（het_id 或 cocrystal_het）。""" + s: set[str] = set() + for src in (entry, prep): + if not isinstance(src, dict): + continue + for key in ("het_id", "cocrystal_het"): + v = src.get(key) + if isinstance(v, str) and v.strip(): + s.add(v.strip().upper()) + elif isinstance(v, list): + for x in v: + if isinstance(x, str) and x.strip(): + s.add(x.strip().upper()) + return s + + +def get_keep_cofactors(entry: dict[str, Any]) -> set[str]: + """除非列於此，否則套用 COFACTOR_BLACKLIST。可寫在條目或 override.keep_cofactors。""" + s: set[str] = set() + s |= get_primary_het_ids(entry, {}) + for key in ("keep_cofactors", "retain_cofactors", "cofactor_whitelist"): + v = entry.get(key) + if isinstance(v, list): + s |= {x.strip().upper() for x in v if isinstance(x, str) and x.strip()} + ov = entry.get("override") + if isinstance(ov, dict): + for key in ("keep_cofactors", "retain_cofactors", "cofactor_whitelist"): + v = ov.get(key) + if isinstance(v, list): + s |= {x.strip().upper() for x in v if isinstance(x, str) and x.strip()} + return s + + +def sort_stage21_candidates(cands: list[dict[str, Any]]) -> list[dict[str, Any]]: + targets = [c for c in cands if c.get("ligand_role") == "target"] + rest = [c for c in cands if c.get("ligand_role") != "target"] + targets.sort(key=lambda c: (c["chain"], c["resseq"])) + rest.sort(key=lambda c: (-float(c["mw_estimate"]), c["chain"], c["resseq"])) + return targets + rest + + +def get_het_atoms(structure, resname: str, chain_id: str, resseq: int) -> list: + atoms = [] + for model in structure: + for chain in model: + if chain.id != chain_id: + continue + for res in chain: + if (res.get_resname().strip() == resname and + res.get_id()[1] == resseq): + atoms.extend(res.get_atoms()) + return atoms + +def estimate_mw_from_pdb(resname: str) -> float: + """ + 從 PDB HETATM 估算 MW。 + 優先用 RDKit CCD 查詢，失敗則用原子數粗估。 + """ + try: + from rdkit.Chem import AllChem, Descriptors + from rdkit.Chem.rdmolfiles import MolFromPDBBlock + # 嘗試用 CCD SMILES 查詢（需要網路或本地 CCD） + # 這裡用原子計數粗估作為 fallback + except ImportError: + pass + + # 粗估：平均有機分子每原子約 13 Da + # 實際上我們用 PDB 結構裡的原子數來估 + return None # 由呼叫端用原子數估算 + +# ── Stage 21：HETATM 掃描過濾 ───────────────────────── +def stage21_hetatm( + session_dir: Path, + prep: dict[str, Any], + index_path: Path | None, +) -> dict[str, Any]: + print("\n[Stage 21] HETATM 掃描過濾...") + + idx_entry = load_target_index_entry(session_dir, prep, index_path) + primary_ids = get_primary_het_ids(idx_entry, prep) + keep_cof = get_keep_cofactors(idx_entry) + + print(f" → Master Index 目標 het_id / cocrystal_het：{sorted(primary_ids) or '（無）'}") + if keep_cof: + print(f" → 輔因子保留（keep_cofactors）：{sorted(keep_cof)}") + + cleaned_path = load_cleaned_pdb(session_dir) + parser = PDBParser(QUIET=True) + structure = parser.get_structure("protein", str(cleaned_path)) + + # 掃描所有 HETATM 殘基 + raw_het = [] + seen = set() + + for model in structure: + for chain in model: + for res in chain: + hetflag, resseq, _ = res.get_id() + resname = res.get_resname().strip().upper() + + # 只處理 HETATM（hetflag 非空白） + if not hetflag.strip(): + continue + + key = (resname, chain.id, resseq) + if key in seen: + continue + seen.add(key) + + atoms = list(res.get_atoms()) + atom_count = len(atoms) + + # 用原子數估算 MW（粗估，平均有機分子每非氫原子約 13 Da） + # 更準確的做法是查 CCD，這裡用保守估算 + heavy_atoms = [a for a in atoms if a.element and a.element != 'H'] + mw_estimate = len(heavy_atoms) * 13.0 if heavy_atoms else atom_count * 10.0 + + raw_het.append({ + "resname": resname, + "chain": chain.id, + "resseq": resseq, + "atom_count": atom_count, + "heavy_atom_count": len(heavy_atoms), + "mw_estimate": round(mw_estimate, 1), + }) + + print(f" ✓ 掃描到 HETATM 殘基：{len(raw_het)} 個") + + # 過濾：白名單（Index het）優先 → 糖 → 輔因子 → 緩衝/離子 → MW + excluded_blacklist: list[str] = [] + excluded_glycan: list[str] = [] + excluded_cofactor: list[str] = [] + excluded_mw: list[str] = [] + candidates: list[dict[str, Any]] = [] + + for het in raw_het: + resname = het["resname"] + mw = float(het["mw_estimate"]) + rsn = resname.upper() + + if rsn in primary_ids: + row = dict(het) + row["ligand_role"] = "target" + candidates.append(row) + continue + + if rsn in GLYCAN_BLACKLIST: + excluded_glycan.append(rsn) + continue + + if rsn in COFACTOR_BLACKLIST and rsn not in keep_cof: + excluded_cofactor.append(rsn) + continue + + if rsn in BLACKLIST: + excluded_blacklist.append(rsn) + continue + + if mw < MW_CUTOFF: + excluded_mw.append(f"{resname}({mw:.0f}Da)") + continue + + row = dict(het) + row["ligand_role"] = "candidate" + candidates.append(row) + + candidates = sort_stage21_candidates(candidates) + + print(f" ✓ 目標配體（Index 白名單）：{sum(1 for c in candidates if c.get('ligand_role') == 'target')} 個") + print(f" ✓ 糖基化殘基排除：{len(excluded_glycan)} 個") + print(f" ✓ 輔因子排除：{len(excluded_cofactor)} 個") + print(f" ✓ 緩衝/離子/溶劑黑名單排除：{len(excluded_blacklist)} 個") + print(f" ✓ MW < {MW_CUTOFF} Da 排除：{len(excluded_mw)} 個") + print(f" ✓ 候選配體（目標 + 其餘）：{len(candidates)} 個") + + for c in candidates: + tag = "【目標】" if c.get("ligand_role") == "target" else "" + print( + f" {tag}{c['resname']} chain {c['chain']} res {c['resseq']} " + f"(~{c['mw_estimate']:.0f} Da, {c['heavy_atom_count']} heavy atoms)" + ) + + if not candidates: + status = "WARN" + print(f" ⚠ WARN: 無候選配體，可能是 apo 結構或 HET 已被移除") + else: + status = "PASS" + + print(f" → Status: {status}") + + result = { + "status": status, + "raw_hetatm_count": len(raw_het), + "excluded_glycan_count": len(excluded_glycan), + "excluded_cofactor_count": len(excluded_cofactor), + "excluded_blacklist_count": len(excluded_blacklist), + "excluded_mw_count": len(excluded_mw), + "candidate_count": len(candidates), + "candidates": candidates, + "mw_cutoff": MW_CUTOFF, + "filter_rules": { + "primary_het_ids": sorted(primary_ids), + "keep_cofactors": sorted(keep_cof), + "glycan_blacklist_size": len(GLYCAN_BLACKLIST), + "cofactor_blacklist_size": len(COFACTOR_BLACKLIST), + }, + "module3_prep": { + "pdb_id": (prep.get("pdb_id") or "").strip().upper(), + "target": prep.get("target"), + "ready_for_engine_e": bool(prep.get("ready_for_engine_e")), + }, + } + return save_stage(session_dir, 21, "hetatm", result) + +# ── 主流程 ──────────────────────────────────────────── +def run_engine_a( + session_dir: Path, + *, + target: str | None = None, + index_path: Path | None = None, + skip_ready_check: bool = False, + skip_manifest_target_check: bool = False, +): + print("=" * 55) + print(" MolGate — Module 4 Engine A") + print(" Stage 21: HETATM 掃描過濾") + print("=" * 55) + + prep = validate_module3_prerequisites( + session_dir, + target, + skip_ready_check=skip_ready_check, + skip_manifest_target_check=skip_manifest_target_check, + ) + pdb_id = (prep.get("pdb_id") or "").strip().upper() + tgt = (prep.get("target") or target or "").strip().upper() + print(f"\n Module 3 銜接：PDB={pdb_id}" + (f" | Target={tgt}" if tgt else "")) + + try: + result = stage21_hetatm(session_dir, prep, index_path) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + except Exception as e: + print(f"❌ Pipeline stopped: {e}") + sys.exit(1) + + print("\n" + "=" * 55) + if result["status"] == "WARN": + print(" Engine A 完成（WARN — 無候選配體）") + print(" → 若為 apo 結構，請在 Master Index 標記 pocket_rule: manual_coords") + else: + print(f" Engine A 完成 ✓ — {result['candidate_count']} 個候選配體") + print(f" 輸出：{session_dir / 'stage_21_hetatm.json'}") + print("=" * 55) + + return result + +# ── CLI ────────────────────────────────────────────── +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 4 Engine A") + ap.add_argument("--session-dir", required=True, help="Session 目錄路徑") + ap.add_argument( + "--target", + default=None, + help="標靶 ID（建議與 Module 3 一致；若提供則與 prep_decisions / manifest 交叉驗證）", + ) + ap.add_argument( + "--index", + default=None, + help="master_index.json 路徑（預設：session_meta / manifest 或 MolGate 目錄下）", + ) + ap.add_argument( + "--skip-ready-check", + action="store_true", + help="不檢查 ready_for_engine_e（僅除錯用）", + ) + ap.add_argument( + "--skip-manifest-target-check", + action="store_true", + help="不與 molgate_run_manifest.json 的 target 交叉驗證", + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + idx = Path(args.index) if args.index else None + run_engine_a( + sd, + target=args.target, + index_path=idx, + skip_ready_check=args.skip_ready_check, + skip_manifest_target_check=args.skip_manifest_target_check, + ) diff --git a/engines/molgate_module4_engineB.py b/engines/molgate_module4_engineB.py new file mode 100644 index 0000000000000000000000000000000000000000..9f8a21d118d5b05f7c1746bc733acc272391f737 --- /dev/null +++ b/engines/molgate_module4_engineB.py @@ -0,0 +1,429 @@ +""" +MolGate — Module 4: Pocket Definition (Engine B) +Stage 22: Ligand identity confirmation (人機) + +輸入：stage_21_hetatm.json + Master Index（het_id / cocrystal_het、pocket_rule、可選 common_name、target_drug） +輸出：stage_22_ligand.json（選定配體） +依賴：與 molgate_module4_engineA 共用 Index 解析（molgate_module3_engineA） +""" + +from __future__ import annotations + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8, should_prompt_interactive + +configure_console_utf8() + +from molgate_module4_engineA import load_target_index_entry + +SCHEMA_VERSION = "0.2" + + +def load_prep_overlay(session_dir: Path, target: str) -> dict[str, Any]: + """合併 prep_decisions.json 與 CLI target（CLI 優先）。""" + prep: dict[str, Any] = {"target": target.strip()} + p = session_dir / "prep_decisions.json" + if p.is_file(): + try: + data = json.loads(p.read_text(encoding="utf-8")) + if isinstance(data, dict): + for k, v in data.items(): + if k.startswith("_"): + continue + prep[k] = v + except (json.JSONDecodeError, OSError): + pass + prep["target"] = target.strip() + return prep + + +def expected_het_id(entry: dict[str, Any]) -> str: + """比對用單一代碼：優先 het_id，否則 cocrystal_het。""" + for key in ("het_id", "cocrystal_het"): + v = entry.get(key) + if isinstance(v, str) and v.strip(): + return v.strip().upper() + return "" + + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_stage21(session_dir: Path) -> dict[str, Any]: + path = session_dir / "stage_21_hetatm.json" + if not path.exists(): + raise FileNotFoundError("找不到 stage_21_hetatm.json，請先跑 Engine A") + data = json.loads(path.read_text(encoding="utf-8")) + if data.get("_schema_version") != SCHEMA_VERSION: + raise ValueError("Stage 21 schema version mismatch，請重跑 Engine A") + return data + + +def prompt_select( + candidates: list[dict], + label: str, + *, + non_interactive: bool = False, +) -> dict: + if not candidates: + raise ValueError(f"無候選可選：{label}") + if not should_prompt_interactive(non_interactive=non_interactive): + pick = candidates[0] + print( + f" [AUTO] 非互動：{label} → [0] {pick.get('resname')} " + f"chain {pick.get('chain')} res {pick.get('resseq')}" + ) + return pick + print(f"\n ── {label} ──") + for i, c in enumerate(candidates): + tag = "【目標】 " if c.get("ligand_role") == "target" else "" + print( + f" [{i}] {tag}{c['resname']} chain {c['chain']} " + f"res {c['resseq']} (~{c['mw_estimate']:.0f} Da, " + f"{c['heavy_atom_count']} heavy atoms)" + ) + while True: + try: + raw = input(" 請輸入編號選擇：").strip() + idx = int(raw) + if 0 <= idx < len(candidates): + return candidates[idx] + except (ValueError, KeyboardInterrupt): + pass + print(" 請輸入有效編號") + + +# ── Stage 22：配體身份確認 ──────────────────────────── +def stage22_ligand( + session_dir: Path, + target: str, + index_path: Path | None, + *, + non_interactive: bool = False, + selected: dict[str, Any] | None = None, +) -> dict[str, Any]: + print("\n[Stage 22] 配體身份確認...") + + prep = load_prep_overlay(session_dir, target) + entry = load_target_index_entry(session_dir, prep, index_path) + if not entry: + result = { + "status": "FAIL", + "reason": "無法載入 Master Index 條目（請確認 --target 與 master_index.json）", + } + save_stage(session_dir, 22, "ligand", result) + raise ValueError(f"Stage 22 FAIL: {result['reason']}") + + s21 = load_stage21(session_dir) + candidates = s21.get("candidates", []) + route_fallback_status = "" + + if not candidates: + try: + from molgate_ui.anchor_routing import m4_recover_empty_candidates + + recovery = m4_recover_empty_candidates(session_dir, entry) + except ImportError: + recovery = None + if recovery: + if recovery.get("needs_rerun_from_m1"): + res_obj = recovery.get("resolution") + result = { + "status": "ROUTE_FALLBACK", + "reason": ( + "Direct 共晶 HET 不存在；已寫入 cross-PDB proxy 路由，" + "請以更新後的 pdb_id 自 Module 1 重跑" + ), + "route_resolution": res_obj.to_json() if hasattr(res_obj, "to_json") else res_obj, + } + save_stage(session_dir, 22, "ligand", result) + raise ValueError(f"Stage 22 ROUTE_FALLBACK: {result['reason']}") + entry = recovery.get("effective_entry") or entry + candidates = recovery.get("candidates") or [] + route_fallback_status = getattr(recovery.get("resolution"), "reason", "") or "route_fallback" + print(f" → Route fallback：{route_fallback_status}") + + if not candidates: + result = { + "status": "FAIL", + "reason": "Stage 21 無候選配體，無法確認配體身份", + } + save_stage(session_dir, 22, "ligand", result) + raise ValueError(f"Stage 22 FAIL: {result['reason']}") + + het_id = expected_het_id(entry) + pocket_rule = (entry.get("pocket_rule") or "").strip() + common_name = (entry.get("common_name") or "").strip() + target_drug = (entry.get("target_drug") or "").strip() + pdb_id = (entry.get("pdb_id") or prep.get("pdb_id") or "").strip().upper() + + print(f" → Master Index expected het（het_id／cocrystal_het）：{het_id or '（未設定）'}") + if common_name: + print(f" → 共晶配體俗名（common_name）：{common_name}") + if target_drug: + print(f" → Docking 目標藥物（target_drug）：{target_drug}") + print(f" → Pocket rule: {pocket_rule}") + print(f" → 候選配體數：{len(candidates)}") + + if selected is not None: + want = ( + str(selected.get("resname") or "").strip().upper(), + str(selected.get("chain") or "").strip(), + int(selected.get("resseq")), + ) + picked = None + for c in candidates: + if ( + str(c.get("resname") or "").strip().upper() == want[0] + and str(c.get("chain") or "").strip() == want[1] + and int(c.get("resseq")) == want[2] + ): + picked = c + break + if not picked: + raise ValueError( + f"UI 選定的配體 {want[0]} chain {want[1]} res {want[2]} 不在 Stage 21 候選列表中" + ) + selected = picked + status = "MANUAL" + print(f" ✓ UI 確認：{selected['resname']} chain {selected['chain']} res {selected['resseq']}") + elif not het_id: + print(f" ⚠ 無法自動比對（Index 缺 het_id / cocrystal_het），請手動選擇") + if non_interactive: + selected = candidates[0] + status = "AUTO_FORCED" + print(f" ✓ --non-interactive：採用候選 [0] {selected['resname']} chain {selected['chain']}") + else: + selected = prompt_select( + candidates, + "請選擇用於口袋定義的配體", + non_interactive=non_interactive, + ) + status = "MANUAL" + print(f" ✓ 選定：{selected['resname']} chain {selected['chain']}") + else: + matched = [c for c in candidates if c["resname"].upper() == het_id] + + if len(matched) == 1: + selected = matched[0] + status = "AUTO" + print(f" ✓ 自動比對成功：{selected['resname']} chain {selected['chain']}") + + elif len(matched) > 1: + print(f" ⚠ 多個 {het_id} 存在於不同 chain，需要確認") + if non_interactive: + selected = matched[0] + status = "AUTO_FORCED" + print( + f" ✓ --non-interactive：採用排序後第一個 {selected['resname']} " + f"chain {selected['chain']} res {selected['resseq']}" + ) + else: + selected = prompt_select( + matched, + f"選擇 {het_id} 所在 chain", + non_interactive=non_interactive, + ) + status = "MANUAL" + print(f" ✓ 選定：{selected['resname']} chain {selected['chain']}") + + elif len(candidates) == 1: + print( + f" ⚠ WARN: 唯一候選 {candidates[0]['resname']} " + f"與 Index 期望 {het_id} 不符" + ) + print(f" → 可能是 PDB／CCD 代碼與 Index 不一致") + if non_interactive: + selected = candidates[0] + status = "AUTO_FORCED" + print(f" ✓ --non-interactive：採用唯一候選 {selected['resname']}") + else: + confirm = input( + f" 是否使用 {candidates[0]['resname']} 作為口袋定義配體？[y/N]：" + ).strip().lower() + if confirm == "y": + selected = candidates[0] + status = "MANUAL" + print(f" ✓ 手動確認：{selected['resname']}") + else: + result = { + "status": "FAIL", + "reason": f"用戶拒絕使用 {candidates[0]['resname']}，無法繼續", + } + save_stage(session_dir, 22, "ligand", result) + raise ValueError(f"Stage 22 FAIL: {result['reason']}") + + else: + print(f" ⚠ 無法自動比對，候選列表如下：") + if non_interactive: + preferred = [c for c in candidates if c.get("ligand_role") == "target"] + selected = (preferred[0] if preferred else candidates[0]) + status = "AUTO_FORCED" + print( + f" ✓ --non-interactive：採用" + f"{'【目標】' if selected.get('ligand_role') == 'target' else ''}" + f"{selected['resname']} chain {selected['chain']}" + ) + else: + selected = prompt_select( + candidates, + "請選擇用於口袋定義的配體", + non_interactive=non_interactive, + ) + status = "MANUAL" + print(f" ✓ 選定：{selected['resname']} chain {selected['chain']}") + + print(f" → Status: {status}") + + result: dict[str, Any] = { + "status": status, + "selected_het_id": selected["resname"], + "chain": selected["chain"], + "resseq": selected["resseq"], + "mw_estimate": selected["mw_estimate"], + "heavy_atom_count": selected["heavy_atom_count"], + "master_index_expected_het": het_id, + "master_index_het_id": het_id, + "match": selected["resname"].upper() == het_id if het_id else None, + "pocket_rule": pocket_rule, + "ready_for_engine_c": True, + } + if route_fallback_status: + result["route_fallback"] = route_fallback_status + if pdb_id: + result["pdb_id"] = pdb_id + if common_name: + result["common_name"] = common_name + if target_drug: + result["target_drug"] = target_drug + return save_stage(session_dir, 22, "ligand", result) + + +# ── 主流程 ──────────────────────────────────────────── +def run_engine_b( + session_dir: Path, + target: str, + index_path: Path | None = None, + *, + non_interactive: bool = False, + selected: dict[str, Any] | None = None, +): + print("=" * 55) + print(" MolGate — Module 4 Engine B") + print(" Stage 22: 配體身份確認（人機）") + print("=" * 55) + + prep = load_prep_overlay(session_dir, target) + entry = load_target_index_entry(session_dir, prep, index_path) + if not entry: + print(f"❌ Target '{target}' 無法從 Master Index 載入條目（檔案或鍵名錯誤）") + sys.exit(1) + + pdb_id = (entry.get("pdb_id") or prep.get("pdb_id") or "?").strip() + het_hint = expected_het_id(entry) or "?" + print(f"\n Target：{target.upper()} | PDB：{pdb_id}") + print(f" Index 期望共晶代碼：{het_hint}") + + try: + result = stage22_ligand( + session_dir, + target, + index_path, + non_interactive=non_interactive, + selected=selected, + ) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + except ValueError as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + print("\n" + "=" * 55) + print(" Engine B 完成 ✓") + print( + f" 選定配體：{result['selected_het_id']} " + f"chain {result['chain']} res {result['resseq']}" + ) + print(f" ready_for_engine_c = True") + print(f" 輸出：{session_dir / 'stage_22_ligand.json'}") + print("=" * 55) + + return result + + +# ── CLI ────────────────────────────────────────────── +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 4 Engine B") + ap.add_argument("--session-dir", required=True, help="Session 目錄路徑") + ap.add_argument("--target", required=True, help="Target 名稱（如 COX2，須對應 master_index.json）") + ap.add_argument( + "--index", + default=None, + help="master_index.json 路徑（預設：session_meta / manifest 或 MolGate 目錄下）", + ) + ap.add_argument( + "--non-interactive", + action="store_true", + help="Stage 22 無法唯一自動比對時，採用規則化預設（多命中取第一個／無命中取候選[0]或【目標】）", + ) + ap.add_argument( + "--selected-json", + default=None, + help="UI 人機選配體 JSON 檔（含 resname、chain、resseq）", + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + idx = Path(args.index) if args.index else None + ui_selected: dict[str, Any] | None = None + if args.selected_json: + pick_path = Path(args.selected_json) + if not pick_path.is_file(): + print(f"❌ 找不到 --selected-json：{pick_path}") + sys.exit(1) + try: + ui_selected = json.loads(pick_path.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError) as e: + print(f"❌ 無法讀取 --selected-json：{e}") + sys.exit(1) + if not isinstance(ui_selected, dict): + print("❌ --selected-json 必須為 JSON 物件") + sys.exit(1) + + run_engine_b( + sd, + args.target, + index_path=idx, + non_interactive=args.non_interactive, + selected=ui_selected, + ) diff --git a/engines/molgate_module4_engineC.py b/engines/molgate_module4_engineC.py new file mode 100644 index 0000000000000000000000000000000000000000..98083ea246467500e49af778be329a0248ee2239 --- /dev/null +++ b/engines/molgate_module4_engineC.py @@ -0,0 +1,449 @@ +""" +MolGate — Module 4: Pocket Definition (Engine C) +Stage 23: Pocket center calculation + +輸入：stage_22_ligand.json + protein/cleaned.pdb + Master Index（可選 box_padding） +輸出：stage_23_pocket_center.json、pocket_config.json（Module 5 / Vina 契約） + +依賴：biopython、numpy；Index 載入與 Engine A/B 對齊。 +""" + +from __future__ import annotations + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +import numpy as np +from Bio.PDB import PDBParser + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_module4_engineA import load_target_index_entry +from molgate_ui.console_utf8 import configure_console_utf8, should_prompt_interactive +from molgate_ui.protein_families import default_box_padding_for_family +from molgate_module4_engineB import load_prep_overlay + +configure_console_utf8() + +SCHEMA_VERSION = "0.2" +STAGE22_SCHEMA_VERSION = "0.2" +DEFAULT_PADDING = 10.0 # Å +GPCR_DEFAULT_PADDING = 12.0 + + +def resolve_box_padding(entry: dict[str, Any]) -> tuple[float, str]: + """Index 條目或 override.box_padding；否則依 protein_families 登記之 family 預設。""" + ov = entry.get("override") if isinstance(entry.get("override"), dict) else {} + for label, src in (("Master Index", entry), ("override", ov)): + v = src.get("box_padding") + if v is not None: + return float(v), f"{label} box_padding" + return default_box_padding_for_family( + str(entry.get("family") or ""), + global_default=DEFAULT_PADDING, + gpcr_default=GPCR_DEFAULT_PADDING, + ) + + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + + +def load_stage22(session_dir: Path) -> dict[str, Any]: + path = session_dir / "stage_22_ligand.json" + if not path.exists(): + raise FileNotFoundError("找不到 stage_22_ligand.json，請先跑 Engine B") + data = json.loads(path.read_text(encoding="utf-8")) + if data.get("_schema_version") != STAGE22_SCHEMA_VERSION: + raise ValueError( + f"stage_22_ligand.json schema 須為 {STAGE22_SCHEMA_VERSION}，請重跑 Module 4 Engine B" + ) + if not data.get("ready_for_engine_c"): + raise ValueError("stage_22_ligand.json 未標記 ready_for_engine_c=True，請重跑 Engine B") + return data + + +def load_cleaned_pdb(session_dir: Path) -> Path: + p = session_dir / "protein" / "cleaned.pdb" + if not p.is_file(): + raise FileNotFoundError("找不到 protein/cleaned.pdb，請先跑 Module 3 Engine A") + return p + + +def get_ligand_coords( + structure, + het_id: str, + chain_id: str, + resseq: int, +) -> np.ndarray: + """從 PDB 結構抓取指定配體所有重原子座標。""" + coords = [] + for model in structure: + for chain in model: + if chain.id != chain_id: + continue + for res in chain: + rn = res.get_resname().strip().upper() + rs = res.get_id()[1] + if rn == het_id.upper() and rs == resseq: + for atom in res.get_atoms(): + if atom.element and atom.element.upper() != "H": + coords.append(atom.get_vector().get_array()) + if not coords: + raise ValueError( + f"在 cleaned.pdb 找不到配體：{het_id} chain {chain_id} res {resseq}\n" + f" → 請確認 cleaned.pdb 是否保留了 HETATM，" + f"或 Stage 22 / Index het_id 與 resseq 是否正確" + ) + return np.array(coords) + + +def prompt_confirm(label: str, value: Any, *, non_interactive: bool = False) -> bool: + if not should_prompt_interactive(non_interactive=non_interactive): + print(f" [AUTO] 非互動：接受 {label}") + return True + print(f"\n ── CONFIRM：{label} ──") + if isinstance(value, dict): + for k, v in value.items(): + if not k.startswith("_"): + print(f" {k}: {v}") + else: + print(f" {value}") + while True: + try: + raw = input(" 接受此結果？[Y/n]：").strip().lower() + if raw in ("", "y", "yes"): + return True + if raw in ("n", "no"): + return False + except KeyboardInterrupt: + sys.exit(0) + print(" 請輸入 y 或 n") + + +def _update_manifest_module4_engine_c(session_dir: Path, pocket_config_path: Path) -> None: + try: + from molgate_manifest import read_manifest, rel_path, write_manifest + except ImportError: + return + mp = session_dir / "molgate_run_manifest.json" + if not mp.is_file(): + return + try: + m = read_manifest(session_dir) + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + rmap["pocket_config"] = rel_path(session_dir, pocket_config_path) + paths["relative"] = rmap + paths["pocket_config_absolute"] = str(pocket_config_path.resolve()) + ns = dict(paths.get("next_step") or {}) + ns["after_module4_engine_c"] = { + "read_pocket_config_from": rmap["pocket_config"], + "hint": "Module 5：AutoDock Vina 使用 center / box_size", + } + paths["next_step"] = ns + m["paths"] = paths + pl = dict(m.get("pipeline") or {}) + pl["module4_engine_c"] = { + "status": "complete", + "completed_at": datetime.now().isoformat(), + "stages": ["23"], + } + m["pipeline"] = pl + write_manifest(session_dir, m) + except Exception: + pass + + +# ── Stage 23：口袋中心計算 ──────────────────────────── +def stage23_pocket_center( + session_dir: Path, + entry: dict[str, Any], + *, + non_interactive: bool = False, +) -> dict[str, Any]: + print("\n[Stage 23] 口袋中心計算...") + + s22 = load_stage22(session_dir) + het_id = s22["selected_het_id"] + chain = s22["chain"] + resseq = s22["resseq"] + pocket_rule = (s22.get("pocket_rule") or "").strip() + + padding, padding_src = resolve_box_padding(entry) + + print(f" → 配體：{het_id} chain {chain} res {resseq}") + print(f" → Pocket rule：{pocket_rule}") + print(f" → Padding：{padding} Å（{padding_src}）") + + cleaned_path = load_cleaned_pdb(session_dir) + parser = PDBParser(QUIET=True) + structure = parser.get_structure("protein", str(cleaned_path)) + + try: + coords = get_ligand_coords(structure, het_id, chain, resseq) + except ValueError as e: + result = { + "status": "FAIL", + "reason": str(e), + } + save_stage(session_dir, 23, "pocket_center", result) + raise + + atom_count = len(coords) + print(f" ✓ 配體重原子數：{atom_count}") + + center = coords.mean(axis=0) + cx, cy, cz = float(center[0]), float(center[1]), float(center[2]) + + min_coords = coords.min(axis=0) + max_coords = coords.max(axis=0) + span = max_coords - min_coords + + box_x = round(float(span[0]) + padding * 2, 1) + box_y = round(float(span[1]) + padding * 2, 1) + box_z = round(float(span[2]) + padding * 2, 1) + + box_x = max(box_x, 20.0) + box_y = max(box_y, 20.0) + box_z = max(box_z, 20.0) + + print(f" ✓ 重心：({cx:.3f}, {cy:.3f}, {cz:.3f})") + print(f" ✓ Box size：{box_x} × {box_y} × {box_z} Å") + + confirm_data = { + "center_x": round(cx, 3), + "center_y": round(cy, 3), + "center_z": round(cz, 3), + "box_size_x": box_x, + "box_size_y": box_y, + "box_size_z": box_z, + "padding": padding, + } + + if non_interactive: + accepted = True + print("\n ✓ --non-interactive：自動接受計算之口袋座標與 Box Size") + else: + accepted = prompt_confirm( + "口袋座標與 Box Size", + confirm_data, + non_interactive=non_interactive, + ) + + if not accepted: + print("\n 手動輸入座標（直接 Enter 保留計算值）：") + + def ask_float(label: str, default: float) -> float: + try: + raw = input(f" {label} [{default}]：").strip() + return float(raw) if raw else default + except (ValueError, KeyboardInterrupt): + return default + + cx = ask_float("center_x", round(cx, 3)) + cy = ask_float("center_y", round(cy, 3)) + cz = ask_float("center_z", round(cz, 3)) + box_x = ask_float("box_size_x", box_x) + box_y = ask_float("box_size_y", box_y) + box_z = ask_float("box_size_z", box_z) + padding = ask_float("padding", padding) + status = "MANUAL" + print(f" ✓ 手動座標接受") + else: + status = "CONFIRM" + print(f" ✓ 計算結果接受") + + print(f" → Status: {status}") + + pdb_id = (s22.get("pdb_id") or "").strip().upper() + result: dict[str, Any] = { + "status": status, + "het_id": het_id, + "chain": chain, + "resseq": resseq, + "atom_count": atom_count, + "center_x": round(cx, 3), + "center_y": round(cy, 3), + "center_z": round(cz, 3), + "box_size_x": box_x, + "box_size_y": box_y, + "box_size_z": box_z, + "padding": padding, + "padding_source": padding_src, + "pocket_rule": pocket_rule, + } + if pdb_id: + result["pdb_id"] = pdb_id + cn = (s22.get("common_name") or "").strip() + td = (s22.get("target_drug") or "").strip() + if cn: + result["common_name"] = cn + if td: + result["target_drug"] = td + return save_stage(session_dir, 23, "pocket_center", result) + + +def write_pocket_config( + session_dir: Path, + r23: dict[str, Any], + *, + target: str, +) -> Path: + config: dict[str, Any] = { + "schema_version": SCHEMA_VERSION, + "target": target.strip().upper(), + "het_id": r23["het_id"], + "chain": r23["chain"], + "resseq": r23["resseq"], + "center_x": r23["center_x"], + "center_y": r23["center_y"], + "center_z": r23["center_z"], + "box_size_x": r23["box_size_x"], + "box_size_y": r23["box_size_y"], + "box_size_z": r23["box_size_z"], + "padding": r23["padding"], + "atom_count": r23["atom_count"], + "pocket_rule": r23.get("pocket_rule", ""), + "ready_for_docking": r23["status"] in ("CONFIRM", "MANUAL"), + "_timestamp": datetime.now().isoformat(), + } + if r23.get("pdb_id"): + config["pdb_id"] = r23["pdb_id"] + if r23.get("common_name"): + config["common_name"] = r23["common_name"] + if r23.get("target_drug"): + config["target_drug"] = r23["target_drug"] + path = session_dir / "pocket_config.json" + path.write_text(json.dumps(config, indent=2, ensure_ascii=False), encoding="utf-8") + return path + + +def run_engine_c( + session_dir: Path, + target: str, + *, + index_path: Path | None = None, + skip_manifest_target_check: bool = False, + skip_prep_target_check: bool = False, + non_interactive: bool = False, +): + print("=" * 55) + print(" MolGate — Module 4 Engine C") + print(" Stage 23: 口袋中心計算 → pocket_config.json") + print("=" * 55) + + if not skip_manifest_target_check: + try: + from molgate_manifest import validate_target_matches_manifest + + validate_target_matches_manifest(session_dir, target) + except FileNotFoundError: + pass + except ValueError as e: + print(f"❌ {e}") + sys.exit(1) + + prep = load_prep_overlay(session_dir, target) + if not skip_prep_target_check: + pt = (prep.get("target") or "").strip().upper() + if pt and pt != target.strip().upper(): + print( + f"❌ prep_decisions.target={prep.get('target')!r} 與 --target={target!r} 不一致" + ) + sys.exit(1) + + entry = load_target_index_entry(session_dir, prep, index_path) + if not entry: + print(f"❌ 無法載入 Master Index 條目（--target 或 master_index.json）") + sys.exit(1) + + print(f"\n Target：{target.upper()}") + + try: + r23 = stage23_pocket_center(session_dir, entry, non_interactive=non_interactive) + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + except ValueError as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + if r23.get("status") == "FAIL": + print(f"\n❌ Stage 23 失敗：{r23.get('reason', '')}") + sys.exit(1) + + config_path = write_pocket_config(session_dir, r23, target=target) + _update_manifest_module4_engine_c(session_dir, config_path) + + print("\n" + "=" * 55) + print(" Engine C 完成 ✓") + print(f" 中心：({r23['center_x']}, {r23['center_y']}, {r23['center_z']})") + print(f" Box：{r23['box_size_x']} × {r23['box_size_y']} × {r23['box_size_z']} Å") + print(f" 契約：{config_path}") + print(f" ready_for_docking = {r23['status'] in ('CONFIRM', 'MANUAL')}") + print("=" * 55) + + return r23 + + +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 4 Engine C") + ap.add_argument("--session-dir", required=True, help="Session 目錄路徑") + ap.add_argument("--target", required=True, help="Target 名稱（如 COX2）") + ap.add_argument( + "--index", + default=None, + help="master_index.json 路徑（預設：session_meta / manifest 或 MolGate 目錄）", + ) + ap.add_argument( + "--skip-manifest-target-check", + action="store_true", + help="不與 molgate_run_manifest.json 的 target 交叉驗證", + ) + ap.add_argument( + "--skip-prep-target-check", + action="store_true", + help="不檢查 prep_decisions.target 與 --target 一致", + ) + ap.add_argument( + "--non-interactive", + action="store_true", + help="Stage 23 自動接受計算之口袋與 box（不詢問 Y/n）", + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + idx = Path(args.index) if args.index else None + run_engine_c( + sd, + args.target, + index_path=idx, + skip_manifest_target_check=args.skip_manifest_target_check, + skip_prep_target_check=args.skip_prep_target_check, + non_interactive=args.non_interactive, + ) diff --git a/engines/molgate_module5_engineA.py b/engines/molgate_module5_engineA.py new file mode 100644 index 0000000000000000000000000000000000000000..3075acc2407767b48b1032e9bd4bbcf029edbbd6 --- /dev/null +++ b/engines/molgate_module5_engineA.py @@ -0,0 +1,995 @@ +""" +MolGate — Module 5: Docking & Output (Engine A) +Stage 24: AutoDock Vina 執行 +Stage 25: Pose QC +Stage 26: 結果寫入 docking_result.json + +輸入： + pocket_config.json ← Module 4 Engine C + ligand/ligand.pdbqt ← Module 2 Engine C + protein/receptor.pdbqt ← Module 3 Engine C + +輸出： + docking/output.pdbqt ← Vina 所有 pose + stage_24_vina.json + stage_25_qc.json + stage_26_result.json + docking_result.json ← Engine B 契約 + +依賴：AutoDock Vina 1.2.x（PATH 或 --vina-bin 指定） +契約對齊：pocket_config.json（Module 4 Engine C，含 target / pdb_id / common_name / target_drug / resseq） +""" + +from __future__ import annotations + +import argparse +import json +import os +import re +import shutil +import subprocess +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8 + +configure_console_utf8() + +SCHEMA_VERSION = "0.2" +POCKET_CONFIG_SCHEMA_MIN = "0.2" + +# QC 閾值 +QC_SCORE_THRESHOLD = -6.0 # kcal/mol，低於此值才算合理（較佳結合） +RMSD_OUT_OF_POCKET_CUTOFF = 8.0 # Å，超過視為偏離主口袋 + +_FLOAT_RE = re.compile(r"^[-+]?(?:\d*\.\d+|\d+\.?)(?:[eE][-+]?\d+)?$") + + +def _is_float_token(s: str) -> bool: + return bool(_FLOAT_RE.match(s.strip())) + + +def _normalize_resname_3(raw: str) -> str: + """MGLTools 偶發把欄位併成 'A1LYS' 類；取末三碼為殘基名。""" + r = raw.strip().upper() + if len(r) >= 3 and r[-3:].isalpha(): + return r[-3:] + return (r + "XXX")[:3] + + +def _split_merged_atom_resname(merged: str) -> tuple[str, str] | None: + """ + MGLTools 常把原子名與三字母殘基併成單一 token（如 HH1A1ARG、NH1AARG）。 + 自尾端取三個字母為殘基名，其餘為原子名（供 _format 再截成 4 字元）。 + """ + m = merged.strip().upper() + if len(m) < 4: + return None + r3 = m[-3:] + if not r3.isalpha(): + return None + atom = m[:-3].strip() + if not atom: + return None + return atom, r3 + + +def _pdbqt_coord_slices_valid(line: str) -> bool: + """Vina 依 PDB 固定欄讀 x/y/z（30–54）；欄內不得含空白，否則會報座標解析錯誤。""" + if len(line) < 54: + return False + for a, b in ((30, 38), (38, 46), (46, 54)): + t = line[a:b].strip() + if not _is_float_token(t): + return False + return True + + +def _format_pdbqt_atom_line( + rec: str, + serial: int, + atom_name: str, + resname: str, + chain_id: str, + resseq: int, + x: float, + y: float, + z: float, + occ: float, + temp_f: float, + charge: float, + ad_type: str, +) -> str: + """輸出 Vina 可讀的 PDBQT 行（欄寬對齊）。rec 為 'ATOM' 或 'HETATM'。""" + an = (atom_name.strip()[:4]).ljust(4) + rn = (_normalize_resname_3(resname))[:3].rjust(3) + ch = (chain_id.strip() or "A")[:1] + typ = ad_type.strip() + prefix = (rec + " ")[:6] + # PDB：13–16 atom、17 altLoc（空白）、18–20 resName、21 chain、22–26 resSeq + return ( + f"{prefix}{serial:5d} {an} {rn} {ch}{resseq:4d} " + f"{x:8.3f}{y:8.3f}{z:8.3f}{occ:6.2f}{temp_f:6.2f} {charge:8.3f} {typ}\n" + ) + + +def _parse_pdbqt_atom_line_tokens(line: str) -> dict[str, Any] | None: + """ + 以空白切分還原 ATOM 欄位（處理 MGLTools 把 resname 寫成 A1LYS 等情形）。 + 期待尾端：x y z occ temp charge ad_type + """ + raw = line.rstrip("\n\r") + if not (raw.startswith("ATOM") or raw.startswith("HETATM")): + return None + parts = raw.split() + if len(parts) < 12: + return None + + # 尾端錨定：最後 7 token 為 x,y,z,occ,temp,charge,ad_type（支援 12-token 合併欄位） + tail = parts[-7:] + if len(tail) == 7 and all(_is_float_token(t) for t in tail[:-1]) and not _is_float_token(tail[-1]): + x, y, z = float(tail[0]), float(tail[1]), float(tail[2]) + occ, temp_f, charge = float(tail[3]), float(tail[4]), float(tail[5]) + ad_type = tail[6] + head = parts[:-7] + if not head or head[0] not in ("ATOM", "HETATM"): + return None + if len(head) == 6: + try: + serial = int(head[1]) + except ValueError: + return None + atom_name = head[2] + resname = head[3] + chain_id = head[4] + try: + resseq = int(head[5]) + except ValueError: + return None + return { + "serial": serial, + "atom_name": atom_name, + "resname": resname, + "chain_id": chain_id, + "resseq": resseq, + "x": x, + "y": y, + "z": z, + "occ": occ, + "temp_f": temp_f, + "charge": charge, + "ad_type": ad_type, + } + if len(head) == 5: + try: + serial = int(head[1]) + except ValueError: + return None + merged = head[2] + chain_id = head[3] + try: + resseq = int(head[4]) + except ValueError: + return None + split = _split_merged_atom_resname(merged) + if split is None: + return None + atom_name, resname = split + return { + "serial": serial, + "atom_name": atom_name, + "resname": resname, + "chain_id": chain_id, + "resseq": resseq, + "x": x, + "y": y, + "z": z, + "occ": occ, + "temp_f": temp_f, + "charge": charge, + "ad_type": ad_type, + } + + if len(parts) < 13: + return None + # 自尾端找連續三個座標 + for i in range(len(parts) - 6, 5, -1): + if i + 2 >= len(parts): + continue + if not ( + _is_float_token(parts[i]) + and _is_float_token(parts[i + 1]) + and _is_float_token(parts[i + 2]) + ): + continue + if not _is_float_token(parts[i + 3]) or not _is_float_token(parts[i + 4]): + continue + if not _is_float_token(parts[i + 5]): + continue + ad_type = parts[-1] + charge = float(parts[i + 5]) + temp_f = float(parts[i + 4]) + occ = float(parts[i + 3]) + x, y, z = float(parts[i]), float(parts[i + 1]), float(parts[i + 2]) + head = parts[:i] + if len(head) < 6: + return None + try: + serial = int(head[1]) + except ValueError: + return None + atom_name = head[2] + resname = head[3] + chain_id = head[4] + try: + resseq = int(head[5]) + except ValueError: + return None + return { + "serial": serial, + "atom_name": atom_name, + "resname": resname, + "chain_id": chain_id, + "resseq": resseq, + "x": x, + "y": y, + "z": z, + "occ": occ, + "temp_f": temp_f, + "charge": charge, + "ad_type": ad_type, + } + return None + + +def _try_read_pdb_fixed_columns(line: str) -> dict[str, Any] | None: + """標準 PDB 欄位讀取（座標在 31–54 欄）；成功表示此行已對齊。""" + if len(line) < 68: + return None + try: + rec = line[0:6].strip() + if rec not in ("ATOM", "HETATM"): + return None + serial = int(line[6:11]) + atom_name = line[12:16] + resname = line[17:20] + chain_id = line[21] + resseq = int(line[22:26]) + x = float(line[30:38]) + y = float(line[38:46]) + z = float(line[46:54]) + occ = float(line[54:60]) + temp_f = float(line[60:66]) + tail = line[66:].strip().split() + if len(tail) < 2: + return None + charge = float(tail[0]) + ad_type = tail[1] + return { + "rec": rec, + "serial": serial, + "atom_name": atom_name, + "resname": resname, + "chain_id": chain_id, + "resseq": resseq, + "x": x, + "y": y, + "z": z, + "occ": occ, + "temp_f": temp_f, + "charge": charge, + "ad_type": ad_type, + } + except (ValueError, IndexError): + return None + + +def _ad4_type_is_hydrogen(ad_type: str) -> bool: + t = ad_type.strip().upper() + if not t: + return False + # AD4 氫類型多以 H 開頭；受體中極少見 Hg（若遇到可再擴充白名單） + if t == "H" or (t[0] == "H" and len(t) == 2): + return True + return False + + +_PDBQT_TORSION_TAGS = frozenset({ + "ROOT", "ENDROOT", "BRANCH", "ENDBRANCH", "TORSDOF", + "BEGIN_RES", "END_RES", +}) + + +def _is_pdbqt_meta_line(bare: str) -> bool: + s = bare.strip() + if not s: + return True + tag = s.split()[0].upper() + if tag in _PDBQT_TORSION_TAGS: + return True + if tag.startswith("TORSDOF"): + return True + return False + + +def _sanitize_receptor_pdbqt_for_vina( + receptor_in: Path, + receptor_out: Path, + *, + drop_hydrogens: bool, +) -> tuple[int, int, int]: + """ + 重寫 receptor PDBQT：修正欄位錯位；剔除 ROOT/BRANCH（rigid receptor 僅允許 ATOM/HETATM）。 + 回傳 (輸出的 ATOM/HETATM 行數, 重新格式化行數, 剔除的非原子標籤行數)。 + """ + text = receptor_in.read_text(encoding="utf-8", errors="replace") + out_lines: list[str] = [] + n_atom = 0 + n_reformatted = 0 + n_meta_stripped = 0 + for line in text.splitlines(keepends=True): + bare = line.rstrip("\n\r") + if not bare.strip(): + continue + if not (bare.startswith("ATOM") or bare.startswith("HETATM")): + if _is_pdbqt_meta_line(bare): + n_meta_stripped += 1 + continue + padded = bare + " " * 120 + col = _try_read_pdb_fixed_columns(padded) + if col is not None and _pdbqt_coord_slices_valid(padded): + if drop_hydrogens and _ad4_type_is_hydrogen(col["ad_type"]): + continue + out_lines.append(line if line.endswith("\n") else line + "\n") + n_atom += 1 + continue + parsed = _parse_pdbqt_atom_line_tokens(bare) + if parsed is None: + continue + if drop_hydrogens and _ad4_type_is_hydrogen(parsed["ad_type"]): + continue + rec = "HETATM" if bare.startswith("HETATM") else "ATOM" + out_lines.append( + _format_pdbqt_atom_line( + rec, + parsed["serial"], + parsed["atom_name"], + parsed["resname"], + parsed["chain_id"], + parsed["resseq"], + parsed["x"], + parsed["y"], + parsed["z"], + parsed["occ"], + parsed["temp_f"], + parsed["charge"], + parsed["ad_type"], + ) + ) + n_atom += 1 + n_reformatted += 1 + receptor_out.parent.mkdir(parents=True, exist_ok=True) + receptor_out.write_text("".join(out_lines), encoding="utf-8") + return n_atom, n_reformatted, n_meta_stripped + + +def _prepare_receptor_for_vina(session_dir: Path, receptor: Path) -> Path: + """ + 產生供 Vina 使用的 receptor：修正 MGLTools 等造成的欄位錯位。 + 輸出 protein/receptor_for_vina.pdbqt（至少會複製並掃描；有修正時會提示）。 + """ + fixed = session_dir / "protein" / "receptor_for_vina.pdbqt" + n_atom, n_ref, n_meta = _sanitize_receptor_pdbqt_for_vina(receptor, fixed, drop_hydrogens=False) + if n_atom <= 0: + return receptor + if n_ref > 0 or n_meta > 0: + parts = [] + if n_ref > 0: + parts.append(f"修正 {n_ref} 行欄位") + if n_meta > 0: + parts.append(f"剔除 {n_meta} 行 ROOT/BRANCH 標籤") + print(f" → receptor PDBQT 已正規化供 Vina：{fixed}（{', '.join(parts)}，共 {n_atom} 行原子）") + else: + print(f" → 使用正規化副本供 Vina：{fixed}（{n_atom} 行，欄位已對齊無需改寫）") + return fixed + + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + +def load_pocket_config(session_dir: Path) -> dict[str, Any]: + path = session_dir / "pocket_config.json" + if not path.exists(): + raise FileNotFoundError("找不到 pocket_config.json，請先跑 Module 4 Engine C") + data = json.loads(path.read_text(encoding="utf-8")) + if not data.get("ready_for_docking"): + raise ValueError("pocket_config.json 未標記 ready_for_docking=True，請重跑 Module 4") + sv = (data.get("schema_version") or "").strip() + if sv and sv != POCKET_CONFIG_SCHEMA_MIN: + print( + f" ⚠ pocket_config.schema_version={sv!r}，建議與 Module 4 Engine C（{POCKET_CONFIG_SCHEMA_MIN}）一致後再跑" + ) + return data + + +def load_prep_decisions(session_dir: Path) -> dict[str, Any] | None: + p = session_dir / "prep_decisions.json" + if not p.is_file(): + return None + try: + return json.loads(p.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + return None + + +def resolve_and_validate_target( + session_dir: Path, + pocket: dict[str, Any], + cli_target: str | None, + *, + skip_manifest_target_check: bool = False, + skip_prep_target_check: bool = False, +) -> str: + """ + 標靶：CLI --target 優先，否則 pocket_config.target； + 與 prep_decisions.target、molgate_run_manifest.json 交叉驗證（可 skip）。 + """ + pt_pocket = (pocket.get("target") or "").strip().upper() + cli = (cli_target or "").strip().upper() + target = cli or pt_pocket + if not target: + raise ValueError( + "缺少 target：請使用 --target，或確認 pocket_config.json 已寫入 target（Module 4 Engine C）" + ) + if pt_pocket and cli and pt_pocket != cli: + raise ValueError( + f"pocket_config.target={pocket.get('target')!r} 與 --target={cli_target!r} 不一致" + ) + + if not skip_prep_target_check: + prep = load_prep_decisions(session_dir) + if prep: + pt = (prep.get("target") or "").strip().upper() + if pt and pt != target: + raise ValueError( + f"prep_decisions.target={prep.get('target')!r} 與標靶 {target!r} 不一致" + ) + + if not skip_manifest_target_check: + try: + from molgate_manifest import validate_target_matches_manifest + + validate_target_matches_manifest(session_dir, target) + except FileNotFoundError: + pass + except ValueError: + raise + + return target + + +def _update_manifest_module5_engine_a( + session_dir: Path, + docking_result_path: Path, + output_pdbqt: Path, +) -> None: + try: + from molgate_manifest import read_manifest, rel_path, write_manifest + except ImportError: + return + mp = session_dir / "molgate_run_manifest.json" + if not mp.is_file(): + return + try: + m = read_manifest(session_dir) + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + rmap["docking_result"] = rel_path(session_dir, docking_result_path) + rmap["docking_output_pdbqt"] = rel_path(session_dir, output_pdbqt) + paths["relative"] = rmap + paths["docking_result_absolute"] = str(docking_result_path.resolve()) + paths["docking_output_pdbqt_absolute"] = str(output_pdbqt.resolve()) + ns = dict(paths.get("next_step") or {}) + ns["after_module5_engine_a"] = { + "read_docking_result_from": rmap["docking_result"], + "hint": "Engine B：審核 docking_result.json", + } + paths["next_step"] = ns + m["paths"] = paths + pl = dict(m.get("pipeline") or {}) + pl["module5_engine_a"] = { + "status": "complete", + "completed_at": datetime.now().isoformat(), + "stages": ["24", "25", "26"], + } + m["pipeline"] = pl + write_manifest(session_dir, m) + except Exception: + pass + +def find_vina(vina_bin: str | None) -> str: + """找 AutoDock Vina 執行檔。""" + if vina_bin: + p = Path(vina_bin).expanduser() + if p.is_file(): + return str(p.resolve()) + raise FileNotFoundError(f"找不到指定的 Vina：{vina_bin}") + + ui_home = _PKG_ROOT.parent + candidates: list[Path] = [] + env_bin = os.environ.get("MOLGATE_VINA_BIN", "").strip() + if env_bin: + candidates.append(Path(env_bin).expanduser()) + candidates.extend( + [ + ui_home / "tools" / "vina" / "vina.exe", + ui_home / "tool" / "vina" / "vina.exe", + ui_home.parent / "MolGate" / "tool" / "vina" / "vina.exe", + _PKG_ROOT / "tool" / "vina" / "vina.exe", + ] + ) + seen: set[str] = set() + for cand in candidates: + key = str(cand) + if key in seen: + continue + seen.add(key) + if cand.is_file(): + return str(cand.resolve()) + + for name in ("vina", "vina.exe", "autodock_vina", "autodock_vina.exe"): + found = shutil.which(name) + if found: + return found + raise FileNotFoundError( + "找不到 AutoDock Vina。請將 vina.exe 放到 moltgate_UI/tools/vina/，" + "或設定環境變數 MOLGATE_VINA_BIN，或安裝後加入 PATH，或用 --vina-bin 指定路徑" + ) + +def parse_vina_output(output_text: str) -> list[dict[str, Any]]: + """解析 Vina stdout 的 pose 分數列表。""" + poses = [] + for line in output_text.splitlines(): + # Vina 1.2.x 輸出格式： + # mode | affinity | dist from best mode + # | (kcal/mol) | rmsd l.b.| rmsd u.b. + # 1 -8.612 0.000 0.000 + m = re.match(r'\s*(\d+)\s+([-\d.]+)\s+([\d.]+)\s+([\d.]+)', line) + if m: + poses.append({ + "mode": int(m.group(1)), + "affinity": float(m.group(2)), + "rmsd_lb": float(m.group(3)), + "rmsd_ub": float(m.group(4)), + }) + return poses + +def run_cmd(argv: list[str], timeout: int = 600) -> tuple[int, str, str]: + try: + r = subprocess.run( + argv, + capture_output=True, + text=True, + timeout=timeout, + check=False, + ) + return r.returncode, r.stdout or "", r.stderr or "" + except subprocess.TimeoutExpired: + return -1, "", "Timeout" + except OSError as e: + return -1, "", str(e) + +# ── Stage 24：AutoDock Vina 執行 ────────────────────── +def stage24_vina( + session_dir: Path, + pocket: dict[str, Any], + vina_bin: str, + exhaustiveness: int = 8, + num_modes: int = 9, +) -> dict[str, Any]: + print("\n[Stage 24] AutoDock Vina 執行...") + + receptor = session_dir / "protein" / "receptor.pdbqt" + ligand = session_dir / "ligand" / "ligand.pdbqt" + + if not receptor.is_file(): + raise FileNotFoundError(f"找不到 receptor.pdbqt：{receptor}") + if not ligand.is_file(): + raise FileNotFoundError(f"找不到 ligand.pdbqt：{ligand}") + + out_dir = session_dir / "docking" + out_dir.mkdir(exist_ok=True) + out_pdbqt = out_dir / "output.pdbqt" + log_file = out_dir / "vina.log" + + receptor_use = _prepare_receptor_for_vina(session_dir, receptor) + + print(f" → Receptor：{receptor_use}") + print(f" → Ligand：{ligand}") + print(f" → Center：({pocket['center_x']}, {pocket['center_y']}, {pocket['center_z']})") + print(f" → Box：{pocket['box_size_x']} × {pocket['box_size_y']} × {pocket['box_size_z']} Å") + print(f" → Exhaustiveness：{exhaustiveness} | Modes：{num_modes}") + print(f" → 執行中（請稍候）...") + + def _run_vina(rec_path: Path) -> tuple[int, str, str, str]: + argv = [ + vina_bin, + "--receptor", str(rec_path), + "--ligand", str(ligand), + "--center_x", str(pocket["center_x"]), + "--center_y", str(pocket["center_y"]), + "--center_z", str(pocket["center_z"]), + "--size_x", str(pocket["box_size_x"]), + "--size_y", str(pocket["box_size_y"]), + "--size_z", str(pocket["box_size_z"]), + "--out", str(out_pdbqt), + "--exhaustiveness", str(exhaustiveness), + "--num_modes", str(num_modes), + ] + code, stdout, stderr = run_cmd(argv) + combined = stdout + "\n" + stderr + return code, stdout, stderr, combined + + code, stdout, stderr, combined = _run_vina(receptor_use) + poses = parse_vina_output(combined) + + pdbqt_parse_fail = ( + code != 0 + and not poses + and ( + "PDBQT parsing" in combined + or "parsing error" in combined.lower() + or "not valid" in combined.lower() + ) + ) + if pdbqt_parse_fail: + noh_path = session_dir / "protein" / "receptor_for_vina_noh.pdbqt" + n_kept, n_ref, n_meta = _sanitize_receptor_pdbqt_for_vina( + receptor, noh_path, drop_hydrogens=True + ) + extra = f"，另剔除 {n_meta} 行 ROOT/BRANCH 標籤" if n_meta else "" + print( + f" ⚠ Vina 無法解析 receptor PDBQT；已剔除 AD4 氫原子列後重試" + f"（保留 {n_kept} 行{extra}）" + ) + receptor_use = noh_path + code, stdout, stderr, combined = _run_vina(receptor_use) + poses = parse_vina_output(combined) + + # 寫 log + log_file.write_text(combined, encoding="utf-8") + + # 若 stdout 沒有，嘗試從 log 再解析 + if not poses: + poses = parse_vina_output(combined) + + if code != 0 and not poses: + result = { + "status": "FAIL", + "reason": f"Vina 執行失敗（exit {code}）", + "stderr": stderr[:500], + } + save_stage(session_dir, 24, "vina", result) + raise ValueError(f"Stage 24 FAIL: {result['reason']}\n{stderr[:200]}") + + print(f" ✓ Vina 完成，找到 {len(poses)} 個 pose") + for p in poses: + print(f" Mode {p['mode']:2d}: {p['affinity']:7.3f} kcal/mol " + f"| RMSD lb={p['rmsd_lb']:.2f} ub={p['rmsd_ub']:.2f}") + + result = { + "status": "PASS", + "vina_bin": vina_bin, + "exhaustiveness": exhaustiveness, + "num_modes": num_modes, + "pose_count": len(poses), + "poses": poses, + "output_pdbqt": str(out_pdbqt.as_posix()), + "log_file": str(log_file.as_posix()), + "pocket_het_id": pocket.get("het_id", ""), + "pocket_chain": pocket.get("chain", ""), + } + return save_stage(session_dir, 24, "vina", result) + +# ── Stage 25：Pose QC ───────────────────────────────── +def stage25_qc( + session_dir: Path, + r24: dict[str, Any], + pocket: dict[str, Any], +) -> dict[str, Any]: + print("\n[Stage 25] Pose QC...") + + poses = r24.get("poses", []) + if not poses: + result = { + "status": "FAIL", + "reason": "Stage 24 無 pose 輸出", + } + save_stage(session_dir, 25, "qc", result) + raise ValueError("Stage 25 FAIL: 無 pose 可評估") + + best = poses[0] + score = best["affinity"] + + # QC 判斷 + flags = [] + qc_pass = True + + # 分數檢查 + if score > QC_SCORE_THRESHOLD: + flags.append(f"SCORE_WEAK: best pose {score:.3f} kcal/mol > 閾值 {QC_SCORE_THRESHOLD}") + qc_pass = False + print(f" ⚠ 分數偏弱：{score:.3f} kcal/mol（閾值 {QC_SCORE_THRESHOLD}）") + else: + print(f" ✓ 分數合理：{score:.3f} kcal/mol") + + # RMSD 檢查（若多個 pose 都一樣，可能有問題） + if len(poses) > 1: + rmsds = [p["rmsd_lb"] for p in poses[1:]] + if all(r < 0.5 for r in rmsds): + flags.append("RMSD_COLLAPSED: 所有 pose RMSD 相近，搜索空間可能太小") + print(f" ⚠ 所有 pose RMSD 相近，建議增大 box size 或 exhaustiveness") + + # RMSD lb 偏大：僅當口袋外 pose 佔多數才降級 + out_of_pocket_modes = [p["mode"] for p in poses if float(p["rmsd_lb"]) > RMSD_OUT_OF_POCKET_CUTOFF] + out_of_pocket_count = len(out_of_pocket_modes) + total_poses = len(poses) + if out_of_pocket_count > 0 and total_poses > 0: + if (out_of_pocket_count / total_poses) > 0.5: + flags.append("OUT_OF_POCKET_MAJORITY") + qc_pass = False + print( + f" ⚠ OUT_OF_POCKET_MAJORITY：{out_of_pocket_count}/{total_poses} " + f"poses RMSD lb > {RMSD_OUT_OF_POCKET_CUTOFF:.1f} Å" + ) + else: + flags.append(f"OUT_OF_POCKET_MINOR: {out_of_pocket_count}/{total_poses} poses outside") + print( + f" ℹ OUT_OF_POCKET_MINOR：{out_of_pocket_count}/{total_poses} " + f"poses RMSD lb > {RMSD_OUT_OF_POCKET_CUTOFF:.1f} Å（不降級）" + ) + + status = "PASS" if qc_pass else "WARN" + if qc_pass: + print(f" ✓ QC 通過") + else: + print(f" ⚠ QC 有警告，建議確認結果") + + print(f" → Status: {status}") + + result = { + "status": status, + "best_pose_mode": best["mode"], + "best_affinity": score, + "best_rmsd_lb": best["rmsd_lb"], + "best_rmsd_ub": best["rmsd_ub"], + "score_threshold": QC_SCORE_THRESHOLD, + "out_of_pocket_rmsd_lb_cutoff": RMSD_OUT_OF_POCKET_CUTOFF, + "out_of_pocket_modes": out_of_pocket_modes, + "qc_pass": qc_pass, + "flags": flags, + "all_poses": poses, + } + return save_stage(session_dir, 25, "qc", result) + +# ── Stage 26：結果寫入 ──────────────────────────────── +def stage26_result( + session_dir: Path, + r24: dict[str, Any], + r25: dict[str, Any], + pocket: dict[str, Any], + target: str, +) -> dict[str, Any]: + print("\n[Stage 26] 結果寫入...") + + flags_all = r25.get("flags", []) + + # confidence tier + if r25["qc_pass"] and not flags_all: + tier = "A" + elif r25["qc_pass"]: + tier = "B" + else: + tier = "C" + + result: dict[str, Any] = { + "status": "PASS", + "target": target.upper(), + "pdb_id": pocket.get("pdb_id", ""), + "het_id": pocket.get("het_id", ""), + "chain": pocket.get("chain", ""), + "resseq": pocket.get("resseq"), + "pocket_rule": pocket.get("pocket_rule", ""), + "best_affinity": r25["best_affinity"], + "best_pose_mode": r25["best_pose_mode"], + "confidence_tier": tier, + "qc_pass": r25["qc_pass"], + "flags": flags_all, + "all_poses": r25["all_poses"], + "output_pdbqt": r24["output_pdbqt"], + "pocket_center": { + "x": pocket["center_x"], + "y": pocket["center_y"], + "z": pocket["center_z"], + }, + "ready_for_review": True, + } + cn = (pocket.get("common_name") or "").strip() + td = (pocket.get("target_drug") or "").strip() + if cn: + result["common_name"] = cn + if td: + result["target_drug"] = td + + r = save_stage(session_dir, 26, "result", result) + + # 寫 docking_result.json（Engine B 契約） + docking_result_path = session_dir / "docking_result.json" + docking_result: dict[str, Any] = { + "schema_version": SCHEMA_VERSION, + "target": result["target"], + "pdb_id": result["pdb_id"], + "het_id": result["het_id"], + "chain": result.get("chain", ""), + "resseq": result.get("resseq"), + "pocket_rule": result.get("pocket_rule", ""), + "best_affinity": result["best_affinity"], + "best_pose_mode": result["best_pose_mode"], + "confidence_tier": tier, + "qc_pass": result["qc_pass"], + "flags": flags_all, + "all_poses": result["all_poses"], + "output_pdbqt": result["output_pdbqt"], + "pocket_center": result["pocket_center"], + "ready_for_review": True, + "_timestamp": datetime.now().isoformat(), + } + if "common_name" in result: + docking_result["common_name"] = result["common_name"] + if "target_drug" in result: + docking_result["target_drug"] = result["target_drug"] + docking_result_path.write_text( + json.dumps(docking_result, indent=2, ensure_ascii=False), encoding="utf-8" + ) + + print(f" ✓ Confidence tier：{tier}") + print(f" ✓ docking_result.json 寫入完成") + print(f" → Status: PASS") + + return r + +# ── 主流程 ──────────────────────────────────────────── +def run_engine_a( + session_dir: Path, + target: str | None, + vina_bin: str | None = None, + exhaustiveness: int = 8, + num_modes: int = 9, + *, + skip_manifest_target_check: bool = False, + skip_prep_target_check: bool = False, +): + print("=" * 55) + print(" MolGate — Module 5 Engine A") + print(" Stage 24/25/26：Vina + QC + 結果寫入") + print("=" * 55) + + try: + pocket = load_pocket_config(session_dir) + except (FileNotFoundError, ValueError) as e: + print(f"❌ {e}") + sys.exit(1) + + try: + resolved_target = resolve_and_validate_target( + session_dir, + pocket, + target, + skip_manifest_target_check=skip_manifest_target_check, + skip_prep_target_check=skip_prep_target_check, + ) + except ValueError as e: + print(f"❌ {e}") + sys.exit(1) + + try: + vina = find_vina(vina_bin) + print(f"\n Vina：{vina}") + except FileNotFoundError as e: + print(f"❌ {e}") + sys.exit(1) + + td = (pocket.get("target_drug") or "").strip() + drug_note = f" | target_drug：{td}" if td else "" + print( + f" Target：{resolved_target} | PDB：{pocket.get('pdb_id', '?')}" + f"{drug_note}" + ) + + try: + r24 = stage24_vina(session_dir, pocket, vina, exhaustiveness, num_modes) + r25 = stage25_qc(session_dir, r24, pocket) + r26 = stage26_result(session_dir, r24, r25, pocket, resolved_target) + except ValueError as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + dr_path = session_dir / "docking_result.json" + out_pdbqt = Path(r24["output_pdbqt"]) + _update_manifest_module5_engine_a(session_dir, dr_path, out_pdbqt) + + print("\n" + "=" * 55) + print(" Engine A 完成 ✓") + print(f" Best pose：Mode {r25['best_pose_mode']} | " + f"{r25['best_affinity']:.3f} kcal/mol") + print(f" Confidence tier：{r26['confidence_tier']}") + if r25.get("flags"): + print(f" Flags：{' | '.join(r25['flags'])}") + print(f" 契約：{session_dir / 'docking_result.json'}") + print(f" ready_for_review = True") + print("=" * 55) + + return {"stage24": r24, "stage25": r25, "stage26": r26} + +# ── CLI ────────────────────────────────────────────── +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 5 Engine A") + ap.add_argument("--session-dir", required=True) + ap.add_argument( + "--target", + default=None, + help="標靶 ID（建議指定；若省略則使用 pocket_config.json 的 target）", + ) + ap.add_argument( + "--vina-bin", + default=None, + help="AutoDock Vina 執行檔路徑（預設從 PATH 找）", + ) + ap.add_argument("--exhaustiveness", type=int, default=8) + ap.add_argument("--num-modes", type=int, default=9) + ap.add_argument( + "--skip-manifest-target-check", + action="store_true", + help="不與 molgate_run_manifest.json 的 target 交叉驗證", + ) + ap.add_argument( + "--skip-prep-target-check", + action="store_true", + help="不檢查 prep_decisions.target 與標靶一致", + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + run_engine_a( + sd, + args.target, + vina_bin=args.vina_bin, + exhaustiveness=args.exhaustiveness, + num_modes=args.num_modes, + skip_manifest_target_check=args.skip_manifest_target_check, + skip_prep_target_check=args.skip_prep_target_check, + ) diff --git a/engines/molgate_module5_engineB.py b/engines/molgate_module5_engineB.py new file mode 100644 index 0000000000000000000000000000000000000000..0e8464590c8d2e42cf8a6b5d13e311951e656e0e --- /dev/null +++ b/engines/molgate_module5_engineB.py @@ -0,0 +1,382 @@ +""" +MolGate — Module 5: Docking & Output (Engine B) +Stage 27: 最終人工審核 + +輸入：docking_result.json（Engine A 契約） +輸出：stage_27_review.json、final_report.json + +決策： + ACCEPT → 寫入 final_report.json，pipeline 完成 + RETRY → 標記需重跑的 Module，不寫最終報告 + FLAG → 標記問題，結果存檔但不視為完成 + +依賴：無額外依賴 +""" + +from __future__ import annotations + +import argparse +import json +import sys +from datetime import datetime +from pathlib import Path +from typing import Any + +_PKG_ROOT = Path(__file__).resolve().parent +_UI_ROOT = _PKG_ROOT.parent +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.console_utf8 import configure_console_utf8, should_prompt_interactive + +configure_console_utf8() + +SCHEMA_VERSION = "0.2" + +RETRY_TARGETS = { + "1": ("Module 1", "SMILES / PDB 輸入問題"), + "2": ("Module 2", "配體準備問題（質子化、手性）"), + "3": ("Module 3", "蛋白準備問題（去水、殘基 override）"), + "4": ("Module 4", "口袋定義問題（配體選擇、座標）"), + "5": ("Module 5", "Docking 參數問題（exhaustiveness、box size）"), +} + +# ── 工具函式 ────────────────────────────────────────── +def save_stage(session_dir: Path, stage: int, name: str, data: dict[str, Any]) -> dict[str, Any]: + data = dict(data) + data["_stage"] = stage + data["_name"] = name + data["_timestamp"] = datetime.now().isoformat() + data["_schema_version"] = SCHEMA_VERSION + path = session_dir / f"stage_{stage:02d}_{name}.json" + path.write_text(json.dumps(data, indent=2, ensure_ascii=False), encoding="utf-8") + return data + +def load_docking_result(session_dir: Path) -> dict[str, Any]: + path = session_dir / "docking_result.json" + if not path.exists(): + raise FileNotFoundError("找不到 docking_result.json，請先跑 Engine A") + data = json.loads(path.read_text(encoding="utf-8")) + if not data.get("ready_for_review"): + raise ValueError("docking_result.json 未標記 ready_for_review=True，請重跑 Engine A") + sv = str(data.get("schema_version") or "").strip() + if sv and sv != SCHEMA_VERSION: + print(f" ⚠ docking_result.schema_version={sv!r}，建議重跑 Module 5 Engine A（{SCHEMA_VERSION}）") + return data + +def display_result(dr: dict[str, Any]): + """顯示 docking 結果摘要。""" + print("\n" + "─" * 55) + print(" DOCKING 結果摘要") + print("─" * 55) + + target = dr.get("target", "?") + pdb_id = dr.get("pdb_id", "?") + het_id = dr.get("het_id", "?") + chain = dr.get("chain", "?") + td = dr.get("target_drug", "") + cn = dr.get("common_name", "") + + print(f" Target：{target} | PDB：{pdb_id}") + if td: + print(f" Docking 藥物：{td}") + if cn: + print(f" 共晶配體：{cn} ({het_id} chain {chain})") + else: + print(f" 共晶配體：{het_id} chain {chain}") + + print(f"\n Best pose：Mode {dr['best_pose_mode']} | " + f"{dr['best_affinity']:.3f} kcal/mol") + print(f" Confidence tier：{dr['confidence_tier']}") + print(f" QC pass：{dr['qc_pass']}") + + cutoff = float(dr.get("out_of_pocket_rmsd_lb_cutoff", 8.0)) + oop_modes = dr.get("out_of_pocket_modes") or [] + poses = dr.get("all_poses", []) + if poses: + print(f"\n 所有 pose：") + for p in poses: + rmsd_warn = " ⚠ 口袋外" if p["rmsd_lb"] > cutoff else "" + print(f" Mode {p['mode']:2d}: {p['affinity']:7.3f} kcal/mol | " + f"RMSD lb={p['rmsd_lb']:.2f}{rmsd_warn}") + if oop_modes: + print(f" ⚠ OUT_OF_POCKET cutoff：{cutoff:.1f} Å | modes={oop_modes}") + + flags = dr.get("flags", []) + if flags: + print(f"\n Flags：") + for f in flags: + print(f" ⚠ {f}") + + print("─" * 55) + +def prompt_decision() -> tuple[str, str]: + """人工審核決策介面。""" + print("\n ── Stage 27：最終審核 ──") + print(" [1] ACCEPT → 接受結果，寫入最終報告") + print(" [2] RETRY → 標記問題，指定重跑 Module") + print(" [3] FLAG → 標記問題，結果存檔但不視為完成") + print() + + while True: + try: + raw = input(" 請選擇 [1/2/3]：").strip() + if raw in ("1", "2", "3"): + break + except KeyboardInterrupt: + sys.exit(0) + print(" 請輸入 1、2 或 3") + + note = "" + if raw == "1": + try: + note = input(" 備註（選填，直接 Enter 跳過）：").strip() + except KeyboardInterrupt: + pass + return "ACCEPT", note + + if raw == "2": + print("\n 指定需重跑的 Module：") + for k, (mod, reason) in RETRY_TARGETS.items(): + print(f" [{k}] {mod}：{reason}") + retry_mod = "" + retry_reason = "" + while True: + try: + m = input(" 請選擇 Module [1-5]：").strip() + if m in RETRY_TARGETS: + retry_mod, retry_reason = RETRY_TARGETS[m] + break + except KeyboardInterrupt: + sys.exit(0) + print(" 請輸入 1～5") + try: + note = input(f" 問題說明（選填）：").strip() + except KeyboardInterrupt: + pass + return "RETRY", f"重跑 {retry_mod}：{retry_reason}。{note}".strip() + + if raw == "3": + try: + note = input(" FLAG 原因（選填）：").strip() + except KeyboardInterrupt: + pass + return "FLAG", note + + return "FLAG", "" + + +def build_non_interactive_note( + decision: str, + note: str | None, + retry_module: str | None = None, +) -> str: + """API/自動化模式下組裝 note。""" + base = (note or "").strip() + if decision == "RETRY": + if retry_module and retry_module in RETRY_TARGETS: + mod, reason = RETRY_TARGETS[retry_module] + prefix = f"重跑 {mod}：{reason}" + return f"{prefix}。{base}".strip() + return base or "重跑（未指定模組）" + return base + +def write_final_report( + session_dir: Path, + dr: dict[str, Any], + note: str, +) -> Path: + """寫入最終報告。""" + report = { + "schema_version": SCHEMA_VERSION, + "status": "COMPLETE", + "target": dr.get("target", ""), + "pdb_id": dr.get("pdb_id", ""), + "het_id": dr.get("het_id", ""), + "chain": dr.get("chain", ""), + "pocket_rule": dr.get("pocket_rule", ""), + "best_affinity": dr["best_affinity"], + "best_pose_mode": dr["best_pose_mode"], + "confidence_tier": dr["confidence_tier"], + "qc_pass": dr["qc_pass"], + "flags": dr.get("flags", []), + "all_poses": dr.get("all_poses", []), + "output_pdbqt": dr.get("output_pdbqt", ""), + "pocket_center": dr.get("pocket_center", {}), + "out_of_pocket_rmsd_lb_cutoff": dr.get("out_of_pocket_rmsd_lb_cutoff"), + "out_of_pocket_modes": dr.get("out_of_pocket_modes", []), + "reviewer_note": note, + "reviewed_at": datetime.now().isoformat(), + } + for key in ("common_name", "target_drug"): + if dr.get(key): + report[key] = dr[key] + + path = session_dir / "final_report.json" + path.write_text(json.dumps(report, indent=2, ensure_ascii=False), encoding="utf-8") + return path + +def _update_manifest_module5_engine_b( + session_dir: Path, + decision: str, + report_path: Path | None, +) -> None: + try: + from molgate_manifest import read_manifest, rel_path, write_manifest + except ImportError: + return + mp = session_dir / "molgate_run_manifest.json" + if not mp.is_file(): + return + try: + m = read_manifest(session_dir) + pl = dict(m.get("pipeline") or {}) + pl["module5_engine_b"] = { + "status": decision.lower(), + "completed_at": datetime.now().isoformat(), + "stages": ["27"], + } + m["pipeline"] = pl + if report_path: + paths = dict(m.get("paths") or {}) + rmap = dict(paths.get("relative") or {}) + rmap["final_report"] = rel_path(session_dir, report_path) + paths["relative"] = rmap + m["paths"] = paths + summ = dict(m.get("summary") or {}) + summ["pipeline_complete"] = True + summ["final_report"] = rmap["final_report"] + m["summary"] = summ + write_manifest(session_dir, m) + except Exception: + pass + +# ── Stage 27：最終人工審核 ──────────────────────────── +def stage27_review( + session_dir: Path, + dr: dict[str, Any], + *, + decision_override: str | None = None, + note_override: str | None = None, + retry_module: str | None = None, +) -> dict[str, Any]: + print("\n[Stage 27] 最終人工審核...") + + display_result(dr) + if decision_override: + decision = decision_override.strip().upper() + if decision not in ("ACCEPT", "RETRY", "FLAG"): + raise ValueError(f"不支援 decision={decision_override!r}，需為 ACCEPT/RETRY/FLAG") + note = build_non_interactive_note(decision, note_override, retry_module) + else: + if not should_prompt_interactive(): + raise ValueError( + "Stage 27 需人工審核：請在 UI 選擇 ACCEPT/RETRY/FLAG，或使用 --decision" + ) + decision, note = prompt_decision() + + report_path = None + status = decision + + if decision == "ACCEPT": + report_path = write_final_report(session_dir, dr, note) + print(f"\n ✓ 結果接受") + print(f" ✓ 最終報告：{report_path}") + elif decision == "RETRY": + print(f"\n ↩ 標記重跑：{note}") + elif decision == "FLAG": + print(f"\n ⚑ 標記問題：{note or '（無說明）'}") + + print(f" → Status: {status}") + + result = { + "status": status, + "decision": decision, + "note": note, + "final_report": str(report_path.as_posix()) if report_path else None, + "pipeline_complete": decision == "ACCEPT", + } + r = save_stage(session_dir, 27, "review", result) + _update_manifest_module5_engine_b(session_dir, decision, report_path) + return r + +# ── 主流程 ──────────────────────────────────────────── +def run_engine_b( + session_dir: Path, + *, + decision: str | None = None, + note: str | None = None, + retry_module: str | None = None, +): + print("=" * 55) + print(" MolGate — Module 5 Engine B") + print(" Stage 27：最終人工審核") + print("=" * 55) + + try: + dr = load_docking_result(session_dir) + except (FileNotFoundError, ValueError) as e: + print(f"❌ {e}") + sys.exit(1) + + try: + result = stage27_review( + session_dir, + dr, + decision_override=decision, + note_override=note, + retry_module=retry_module, + ) + except Exception as e: + print(f"\n❌ Pipeline stopped: {e}") + sys.exit(1) + + print("\n" + "=" * 55) + decision = result["decision"] + if decision == "ACCEPT": + print(" Pipeline 完成 ✓") + print(f" 最終報告：{session_dir / 'final_report.json'}") + elif decision == "RETRY": + print(f" ↩ 需重跑：{result['note']}") + else: + print(f" ⚑ 已標記：{result['note'] or '（無說明）'}") + print("=" * 55) + + return result + +# ── CLI ────────────────────────────────────────────── +if __name__ == "__main__": + ap = argparse.ArgumentParser(description="MolGate Module 5 Engine B") + ap.add_argument("--session-dir", required=True) + ap.add_argument( + "--decision", + choices=("ACCEPT", "RETRY", "FLAG"), + default=None, + help="非互動模式決策（供 API/UI 使用）", + ) + ap.add_argument( + "--note", + default=None, + help="非互動模式備註（可選）", + ) + ap.add_argument( + "--retry-module", + choices=("1", "2", "3", "4", "5"), + default=None, + help="decision=RETRY 時指定重跑模組（1-5）", + ) + args = ap.parse_args() + + sd = Path(args.session_dir) + if not sd.is_dir(): + print(f"❌ Session 目錄不存在：{sd}") + sys.exit(1) + + run_engine_b( + sd, + decision=args.decision, + note=args.note, + retry_module=args.retry_module, + ) diff --git a/engines/molgate_runner.py b/engines/molgate_runner.py new file mode 100644 index 0000000000000000000000000000000000000000..7314f076e1edcb065ff75311d25e9fe18bd4e4a2 --- /dev/null +++ b/engines/molgate_runner.py @@ -0,0 +1,677 @@ +""" +MolGate — Single Drug Runner +一次跑一個藥的完整 pipeline（Module 1 → Module 5） +人機協作正常進行，遇到決策點自然停下來 + +用法： + python molgate_runner.py + python molgate_runner.py --drug 0 # 直接選第 0 個藥（DRUGS 陣列索引） + python molgate_runner.py --catalog-drug-id 22 # 用外部 catalog 的 drug_id（見各藥 catalog_drug_id） + python molgate_runner.py --from-stage 3 # 從 Module 3 繼續（已有 session） + python molgate_runner.py --drug 21 --non-interactive --allow-network # 無本地 PDB 時允許從 RCSB 下載 +""" + +from __future__ import annotations + +import argparse +import json +import os +import re +import subprocess +import sys +from datetime import datetime +from pathlib import Path + +PYTHON = sys.executable +BASE_DIR = Path(__file__).resolve().parent + +if hasattr(sys.stdout, "reconfigure"): + # Avoid Windows console codec crashes on non-encodable CJK chars. + sys.stdout.reconfigure(errors="replace") +if hasattr(sys.stderr, "reconfigure"): + sys.stderr.reconfigure(errors="replace") + +# ── 藥物清單 ────────────────────────────────────────── +DRUGS = [ + { + "drug": "Ibuprofen", + "index_key": "COX2", + "smiles": "CC(C)Cc1ccc(cc1)C(C)C(=O)O", + "target": "COX2", + "pdb_id": "5IKT", + "het_id": "TLF", + "note": "COX-2 抑制劑，NSAID 代表藥物", + }, + { + "drug": "Celecoxib", + "index_key": "COX2_CLX", + "smiles": "CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F", + "target": "COX2", + "pdb_id": "3LN1", + "het_id": "CLX", + "note": "COX-2 選擇性抑制劑", + }, + { + "drug": "Oseltamivir", + "index_key": "NEURAMINIDASE", + "smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](N)C1", + "target": "Neuraminidase", + "pdb_id": "2HU4", + "het_id": "G39", + "note": "流感神經氨酸酶抑制劑（克流感）", + }, + { + "drug": "Imatinib", + "index_key": "ABLABL", + "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", + "target": "ABLABL", + "pdb_id": "1IEP", + "het_id": "STI", + "note": "BCR-ABL 激酶抑制劑（基利克）", + }, + { + "drug": "Methotrexate", + "index_key": "DHFR", + "smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", + "target": "DHFR", + "pdb_id": "1U72", + "het_id": "MTX", + "note": "二氫葉酸還原酶抑制劑，抗癌/抗類風溼", + }, + { + "drug": "Fluconazole", + "index_key": "CYP51", + "smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", + "target": "CYP51", + "pdb_id": "4WMZ", + "het_id": "FLC", + "note": "CYP51 抑制劑，抗黴菌藥", + }, + { + "drug": "Sildenafil", + "index_key": "PDE5", + "smiles": "CCCC1=NN(C)C(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc21", + "target": "PDE5", + "pdb_id": "2H42", + "het_id": "SLD", + "note": "PDE5 抑制劑（威而鋼）", + }, + { + "drug": "Acetazolamide", + "index_key": "CA2", + "smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", + "target": "CA2", + "pdb_id": "3HS4", + "het_id": "AZM", + "note": "碳酸酐酶 II 抑制劑，利尿劑", + }, + { + "drug": "Gefitinib", + "index_key": "EGFR", + "smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", + "target": "EGFR", + "pdb_id": "4WKQ", + "het_id": "IRE", + "note": "EGFR 激酶抑制劑（艾瑞莎）", + }, + { + "drug": "Warfarin", + "index_key": "VKOR", + "smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", + "target": "VKOR", + "pdb_id": "6WV3", + "het_id": "SWF", + "note": "人源 VKOR + warfarin（6WV3，共晶配體 CCD：SWF）；勿用 4KP6（該為 PDE4B / 1S1）", + }, + { + "drug": "Tacrolimus", + "index_key": "FKBP12_TACROLIMUS", + "smiles": r"C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC", + "target": "FKBP12", + "pdb_id": "1FKJ", + "het_id": "FK5", + "note": "FKBP12–FK506（1FKJ，CCD FK5）；direct tacrolimus anchor，適合大環／立體佔據基準", + }, + { + "drug": "Quetiapine", + "index_key": "DRD2_QUETIAPINE_PROXY", + "smiles": "C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42", + "target": "DRD2", + "pdb_id": "6CM4", + "het_id": "8NU", + "note": "Proxy：無 quetiapine 直接受體共晶；以 DRD2/6CM4 口袋（共晶 8NU）當暫代，勿當 direct benchmark", + }, + { + "drug": "Erlotinib", + "index_key": "EGFR_ERLOTINIB", + "smiles": "COCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1", + "target": "EGFR", + "pdb_id": "1M17", + "het_id": "AQ4", + "note": "EGFR–Erlotinib（1M17，CCD AQ4）；direct cocrystal anchor，穩定 kinase benchmark", + }, + { + "drug": "Vardenafil", + "index_key": "PDE5_VARDENAFIL", + "smiles": "CCCCC1=C2N(C)C(=O)N(C(C2=NC=C1S(=O)(=O)N3CCN(CC3)C)OCC)C", + "target": "PDE5", + "pdb_id": "1UDT", + "het_id": "VIA", + "note": "PDE5–Vardenafil（1UDT，CCD VIA）；direct cocrystal anchor，可與 Sildenafil 作同家族配對基準", + }, + { + "drug": "Apixaban", + "index_key": "FXA_APIXABAN", + "smiles": "O=C(N)c1cnn2c1N(c1ccc(OC)cc1)CC(c1ccc(N3CCCCC3=O)cc1)=CC2=O", + "target": "FACTOR_XA", + "pdb_id": "2P16", + "het_id": "GG2", + "note": "Factor Xa–Apixaban（2P16，CCD GG2）；direct cocrystal anchor，抗凝血系列擴充基準", + }, + { + "drug": "Rivaroxaban", + "index_key": "FXA_RIVAROXABAN", + "smiles": "Clc1ccc(cc1)C2=C(CN3CCOCC3)N(C(=O)N[C@H]4CO[C@H](C4)c5ccc(s5)Cl)C(=O)N2", + "target": "FACTOR_XA", + "pdb_id": "2W26", + "het_id": "RIV", + "note": "Factor Xa–Rivaroxaban（2W26，CCD RIV）；direct cocrystal anchor，可與 Apixaban 作同家族配對基準", + }, + { + "drug": "Vorinostat", + "index_key": "HDAC2_VORINOSTAT", + "smiles": "O=C(NO)CCCCCCC(=O)Nc1ccccc1", + "target": "HDAC2", + "pdb_id": "4LXZ", + "het_id": "SHH", + "note": "HDAC2–Vorinostat（4LXZ，CCD SHH）；direct cocrystal anchor，適合鋅依賴 HDAC 基準", + }, + { + "drug": "Nilotinib", + "index_key": "ABL_NILOTINIB", + "smiles": "CC1=NC(=CC(=N1)Nc2ccc(cc2)C(=O)Nc3cc(ccc3N4CCN(C)CC4)C(F)(F)F)C", + "target": "ABL", + "pdb_id": "3CS9", + "het_id": "NIL", + "note": "ABL–Nilotinib（3CS9，CCD NIL）；direct cocrystal anchor，第二代 ABL kinase 基準", + }, + { + "drug": "Bosutinib", + "index_key": "ABL_BOSUTINIB", + "smiles": "COc1cc2c(Nc3c(Cl)cc(c(c3Cl)OC)Cl)nc(C#N)cc2cc1OCCCN1CCN(C)CC1", + "target": "ABL", + "pdb_id": "3UE4", + "het_id": "DB8", + "note": "ABL–Bosutinib（3UE4，CCD DB8）；direct cocrystal anchor，建議作 ABL 家族配對基準", + }, + { + "drug": "Ponatinib", + "index_key": "DDR1_PONATINIB", + "smiles": "Cc1cc(ccc1Nc2ncc(cn2)C#Cc3cnc4ccccc4n3)C(=O)Nc5ccc(cc5)CN6CCN(CC6)C", + "target": "DDR1", + "pdb_id": "3ZOS", + "het_id": "0LI", + "note": "DDR1–Ponatinib（3ZOS，CCD 0LI）；direct cocrystal anchor，ponatinib 的清晰直錨點", + }, + { + "drug": "Cilomilast", + "index_key": "PDE4D_CILOMILAST", + "smiles": "COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N", + "target": "PDE4D", + "pdb_id": "1XOM", + "het_id": "CIO", + "note": "PDE4D–Cilomilast（1XOM，CCD CIO）；direct cocrystal anchor，PDE4 家族穩定 benchmark", + }, + { + "drug": "Roflumilast", + "catalog_drug_id": 22, + "index_key": "PDE4D_ROFLUMILAST", + "smiles": "c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F", + "target": "PDE4D", + "pdb_id": "3G4L", + "het_id": "ROF", + "note": "PDE4D–Roflumilast（3G4L，CCD ROF）；direct cocrystal anchor，可與 Cilomilast 成對基準", + }, + { + "drug": "Alogliptin", + "catalog_drug_id": 23, + "index_key": "DPP4_ALOGLIPTIN", + "smiles": "CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N", + "target": "DPP4", + "pdb_id": "2ONC", + "het_id": "SY1", + "note": "DPP4–Alogliptin／2ONC：正式索引以 PDB 殘基 SY1 為準（CCD T22）；與 master_index DPP4_ALOGLIPTIN 一致", + }, + { + "drug": "Linagliptin", + "catalog_drug_id": 24, + "index_key": "DPP4_LINAGLIPTIN", + "smiles": "CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C", + "target": "DPP4", + "pdb_id": "2RGU", + "het_id": "356", + "note": "DPP4–Linagliptin（2RGU，CCD 356）；direct cocrystal anchor，可與 Alogliptin 配對", + }, +] + +_SESSION_ID_RE = re.compile(r"^[a-fA-F0-9]{16}$") + +# ── 工具函式 ────────────────────────────────────────── +def run(cmd: list[str]) -> int: + """執行指令，繼承 stdin/stdout（保留人機介入）。""" + print(f"\n $ {' '.join(cmd)}") + print(" " + "─" * 50) + env = dict(os.environ) + env["PYTHONUTF8"] = "1" + env["PYTHONIOENCODING"] = "utf-8" + result = subprocess.run(cmd, env=env) + return result.returncode + +def banner(msg: str): + print("\n" + "═" * 55) + print(f" {msg}") + print("═" * 55) + + +def print_startup_banner() -> None: + """啟動儀式橫幅（ASCII；SESSION START 為實際執行時間）。""" + ts = datetime.now().strftime("%Y-%m-%d %H:%M:%S") + print( + f""" +================================================================================ + __ __ _ _____ _ + | \/ | ___ | |/ ____| __ _| |_ ___ + | |\/| |/ _ \\| | | __ / _` | __/ _ \\ + | | | | (_) | | | |_ | (_| | || __/ + |_| |_|\\___/|_|\\____|\\__,_|\\__\\___/ + + S I N G L E D R U G R U N N E R +-------------------------------------------------------------------------------- + [BOOT] Initializing molecular workflow... + [MODE] Structured docking pipeline + [CORE] Input -> Ligand -> Receptor -> Pocket -> Docking -> Review +================================================================================ + + SESSION START : {ts} + ENGINE : MolGate + PIPELINE : Single Drug Runner + +================================================================================ +""" + ) + + +def target_key(drug: dict) -> str: + """Master Index 查詢鍵（與顯示 target 分離）。""" + return str(drug.get("index_key") or drug["target"]).strip().upper() + + +def load_master_index() -> dict[str, dict]: + p = BASE_DIR / "master_index.json" + if not p.is_file(): + return {} + try: + raw = json.loads(p.read_text(encoding="utf-8")) + except Exception: + return {} + out: dict[str, dict] = {} + for k, v in raw.items(): + if k.startswith("_"): + continue + if isinstance(v, dict): + out[k.strip().upper()] = v + return out + + +def validate_drug_index_entry(drug: dict) -> tuple[bool, str]: + """跑前檢查：index key 是否存在，且 pdb/het 與 runner 設定是否一致。""" + key = target_key(drug) + idx = load_master_index() + ent = idx.get(key) + if ent is None: + return False, f"Master Index 缺少 key={key}（請先補 master_index.json）" + + mism = [] + p_runner = str(drug.get("pdb_id", "")).strip().upper() + p_idx = str(ent.get("pdb_id", "")).strip().upper() + if p_runner and p_idx and p_runner != p_idx: + mism.append(f"pdb_id runner={p_runner} vs index={p_idx}") + + h_runner = str(drug.get("het_id", "")).strip().upper() + h_idx = str(ent.get("het_id") or ent.get("cocrystal_het") or "").strip().upper() + if h_runner and h_idx and h_runner != h_idx: + mism.append(f"het_id runner={h_runner} vs index={h_idx}") + + if mism: + return False, "；".join(mism) + return True, "OK" + +def select_drug(default: int | None, catalog_drug_id: int | None) -> tuple[int, dict]: + if default is not None and catalog_drug_id is not None: + print("❌ 請勿同時指定 --drug 與 --catalog-drug-id") + sys.exit(2) + + if catalog_drug_id is not None: + for i, d in enumerate(DRUGS): + cid = d.get("catalog_drug_id") + if cid is not None and int(cid) == int(catalog_drug_id): + print( + f"\n 選定藥物（catalog drug_id={catalog_drug_id}）：" + f"[DRUGS 索引 {i}] {d['drug']} / {d['target']} (index_key={target_key(d)})" + ) + return i, d + print(f"❌ 找不到 catalog_drug_id={catalog_drug_id}（請在 DRUGS 內設定 catalog_drug_id）") + sys.exit(2) + + if default is not None: + if not (0 <= default < len(DRUGS)): + print(f"❌ --drug 編號超出範圍：{default}（有效 0–{len(DRUGS) - 1}）") + sys.exit(2) + d = DRUGS[default] + print(f"\n 選定藥物：[{default}] {d['drug']} / {d['target']} (index_key={target_key(d)})") + return default, d + + print("\n ── 選擇藥物 ──") + for i, d in enumerate(DRUGS): + print(f" [{i:2d}] {d['drug']:<18} → {d['target']:<12} [{target_key(d):<14}] {d['note']}") + + while True: + try: + raw = input("\n 請輸入編號：").strip() + idx = int(raw) + if 0 <= idx < len(DRUGS): + return idx, DRUGS[idx] + except (ValueError, KeyboardInterrupt): + pass + print(" 請輸入有效編號") + +def get_session_id(session_dir: Path) -> str | None: + """從 session 目錄找最新的 session ID。""" + if not session_dir.exists(): + return None + sessions = sorted(session_dir.iterdir(), key=lambda p: p.stat().st_mtime, reverse=True) + if sessions: + return sessions[0].name + return None + + +def list_valid_sessions(session_base: Path) -> list[Path]: + """只列出合法 session 目錄（16 位 hex 且含 session_meta.json）。""" + if not session_base.exists(): + return [] + out: list[Path] = [] + for p in session_base.iterdir(): + if not p.is_dir(): + continue + if not _SESSION_ID_RE.match(p.name): + continue + if not (p / "session_meta.json").is_file(): + continue + out.append(p) + out.sort(key=lambda x: x.stat().st_mtime, reverse=True) + return out + +def find_latest_session(drug: dict) -> Path | None: + """找這個藥最近的 session。""" + session_base = BASE_DIR / "molgate_sessions" + if not session_base.exists(): + return None + # 找有 stage_03_index.json（Module 1 完成）且 index key 符合的 session + key = target_key(drug) + for s in list_valid_sessions(session_base): + idx = s / "stage_03_index.json" + if idx.exists(): + try: + data = json.loads(idx.read_text(encoding="utf-8")) + if data.get("target", "").upper() == key: + return s + except Exception: + pass + return None + +# ── Pipeline 各 Module ──────────────────────────────── +def run_module1(drug: dict, *, allow_network: bool) -> Path | None: + banner("MODULE 1 — Input Validation") + cmd1: list[str] = [ + PYTHON, str(BASE_DIR / "molgate_module1.py"), + "--smiles", drug["smiles"], + "--target", target_key(drug), + "--pdb-id", drug["pdb_id"], + ] + cid = drug.get("catalog_drug_id") + if cid is not None: + cmd1 += ["--drug-id", str(int(cid)), "--drug-label", str(drug.get("drug", ""))] + if allow_network: + cmd1.append("--allow-network") + code = run(cmd1) + if code != 0: + print("❌ Module 1 失敗") + return None + + # 找剛建立且與本次 target/pdb 對應的 session（避免誤撿其他藥物最新 session） + session_base = BASE_DIR / "molgate_sessions" + key = target_key(drug) + expect_pdb = str(drug.get("pdb_id", "")).strip().upper() + for s in list_valid_sessions(session_base): + idx = s / "stage_03_index.json" + if not idx.is_file(): + continue + try: + data = json.loads(idx.read_text(encoding="utf-8")) + except Exception: + continue + t = str(data.get("target", "")).strip().upper() + p = str(data.get("pdb_id", "")).strip().upper() + if t == key and (not expect_pdb or p == expect_pdb): + return s + return None + +def run_module2(sd: Path, drug: dict) -> bool: + banner("MODULE 2 — Ligand Enumeration") + for script, label in [ + ("molgate_module2_engineB.py", "Engine B：質子化 + 互變異構"), + ("molgate_module2_engineC.py", "Engine C：PDBQT 轉換"), + ]: + print(f"\n [{label}]") + code = run([ + PYTHON, str(BASE_DIR / script), + "--session-dir", str(sd), + "--target", target_key(drug), + ]) + if code != 0: + print(f"❌ Module 2 {script} 失敗") + return False + return True + +def run_module3(sd: Path, drug: dict, *, non_interactive: bool) -> bool: + banner("MODULE 3 — Protein Preparation") + for script, label in [ + ("molgate_module3_engineA.py", "Engine A：PDB 清理"), + ("molgate_module3_engineB.py", "Engine B：人機決策"), + ("molgate_module3_engineC.py", "Engine C：Receptor PDBQT"), + ]: + print(f"\n [{label}]") + cmd3: list[str] = [ + PYTHON, str(BASE_DIR / script), + "--session-dir", str(sd), + "--target", target_key(drug), + ] + if script == "molgate_module3_engineB.py" and non_interactive: + cmd3 += ["--non-interactive"] + keep_json = sd / "_ui_stage15_keep.json" + if keep_json.is_file(): + cmd3 += ["--het-keep-json", str(keep_json)] + code = run(cmd3) + if code != 0: + print(f"❌ Module 3 {script} 失敗") + return False + return True + +def run_module4(sd: Path, drug: dict, *, non_interactive: bool) -> bool: + banner("MODULE 4 — Pocket Definition") + for script, label in [ + ("molgate_module4_engineA.py", "Engine A：HETATM 掃描"), + ("molgate_module4_engineB.py", "Engine B：配體確認"), + ("molgate_module4_engineC.py", "Engine C：口袋中心計算"), + ]: + print(f"\n [{label}]") + cmd4: list[str] = [ + PYTHON, str(BASE_DIR / script), + "--session-dir", str(sd), + "--target", target_key(drug), + ] + if script == "molgate_module4_engineB.py" and non_interactive: + cmd4.append("--non-interactive") + if script == "molgate_module4_engineC.py" and non_interactive: + cmd4.append("--non-interactive") + code = run(cmd4) + if code != 0: + print(f"❌ Module 4 {script} 失敗") + return False + return True + +def run_module5(sd: Path, drug: dict, vina_bin: str | None, *, non_interactive: bool) -> bool: + banner("MODULE 5 — Docking & Review") + + resolved_vina_bin = vina_bin + if not resolved_vina_bin: + for cand in ( + BASE_DIR / "tool" / "vina" / "vina.exe", + BASE_DIR / "tool" / "vina" / "vina.exe.exe", + ): + if cand.is_file(): + resolved_vina_bin = str(cand) + break + + cmd_a = [ + PYTHON, str(BASE_DIR / "molgate_module5_engineA.py"), + "--session-dir", str(sd), + "--target", target_key(drug), + ] + if resolved_vina_bin: + cmd_a += ["--vina-bin", resolved_vina_bin] + print(f" [Vina binary] {resolved_vina_bin}") + + print("\n [Engine A：Vina + QC]") + code = run(cmd_a) + if code != 0: + print("❌ Module 5 Engine A 失敗") + return False + + print("\n [Engine B：人工審核]") + cmd5b: list[str] = [ + PYTHON, str(BASE_DIR / "molgate_module5_engineB.py"), + "--session-dir", str(sd), + ] + if non_interactive: + cmd5b += ["--decision", "ACCEPT"] + code = run(cmd5b) + if code != 0: + print("❌ Module 5 Engine B 失敗") + return False + + return True + +# ── 主流程 ──────────────────────────────────────────── +def main(): + ap = argparse.ArgumentParser(description="MolGate Single Drug Runner") + ap.add_argument("--drug", type=int, default=None, help=f"DRUGS 陣列索引（0–{len(DRUGS) - 1}）") + ap.add_argument( + "--catalog-drug-id", + type=int, + default=None, + help="外部藥物 catalog 的 drug_id（僅部分藥物在 DRUGS 內設有 catalog_drug_id）", + ) + ap.add_argument("--from-stage", type=int, default=1, help="從哪個 Module 開始（1-5）") + ap.add_argument("--session-dir",default=None, help="指定 session 目錄（from-stage > 1 時使用）") + ap.add_argument("--vina-bin", default=None, help="AutoDock Vina 執行檔路徑") + ap.add_argument( + "--non-interactive", + action="store_true", + help="M3B/M4B/M4C 使用 --non-interactive；M5B 使用 --decision ACCEPT（M2B 仍可能詢問）", + ) + ap.add_argument( + "--allow-network", + action="store_true", + help="Module 1 Stage 02：無本地 PDB 時允許 HTTPS 下載（傳給 molgate_module1.py）", + ) + args = ap.parse_args() + + print_startup_banner() + + # 選藥 + drug_idx, drug = select_drug(args.drug, args.catalog_drug_id) + print(f"\n 藥物：{drug['drug']}") + if drug.get("catalog_drug_id") is not None: + print(f" catalog drug_id：{drug['catalog_drug_id']}（寫入 session_meta / registry）") + print( + f" Target：{drug['target']} | index_key：{target_key(drug)} " + f"| PDB：{drug['pdb_id']} | HET：{drug['het_id']}" + ) + print(f" 說明：{drug['note']}") + + ok, msg = validate_drug_index_entry(drug) + if not ok: + print(f"❌ Index 前置檢查失敗：{msg}") + print(" 請先補齊/修正 master_index.json 後再跑") + sys.exit(1) + + from_stage = args.from_stage + + # 確認 session + if from_stage > 1: + if args.session_dir: + sd = Path(args.session_dir) + else: + sd = find_latest_session(drug) + if sd is None: + print("❌ 找不到此藥的既有 session，請從 --from-stage 1 開始") + sys.exit(1) + print(f"\n 繼續 session：{sd}") + else: + sd = None + + print(f"\n 從 Module {from_stage} 開始\n") + print(" 自動開始執行（略過 Enter 確認）") + + # ── Module 1 ── + if from_stage <= 1: + sd = run_module1(drug, allow_network=args.allow_network) + if sd is None: + sys.exit(1) + print(f"\n Session 建立：{sd}") + + # ── Module 2 ── + if from_stage <= 2: + if not run_module2(sd, drug): + sys.exit(1) + + # ── Module 3 ── + if from_stage <= 3: + if not run_module3(sd, drug, non_interactive=args.non_interactive): + sys.exit(1) + + # ── Module 4 ── + if from_stage <= 4: + if not run_module4(sd, drug, non_interactive=args.non_interactive): + sys.exit(1) + + # ── Module 5 ── + if from_stage <= 5: + if not run_module5(sd, drug, args.vina_bin, non_interactive=args.non_interactive): + sys.exit(1) + + # ── 完成 ── + banner("Pipeline 完成 ✓") + print(f" 藥物：{drug['drug']} / {drug['target']}") + print(f" Session：{sd}") + report = sd / "final_report.json" + if report.exists(): + r = json.loads(report.read_text(encoding="utf-8")) + print(f" Best affinity：{r.get('best_affinity','?')} kcal/mol") + print(f" Confidence tier：{r.get('confidence_tier','?')}") + print(f" Decision：{r.get('status','?')}") + print(f"\n 結束時間：{datetime.now().strftime('%Y-%m-%d %H:%M:%S')}") + +if __name__ == "__main__": + main() diff --git a/engines/molgate_runner_ascii.py b/engines/molgate_runner_ascii.py new file mode 100644 index 0000000000000000000000000000000000000000..57ad02574d963770283018186d051fdd6cbe5db3 --- /dev/null +++ b/engines/molgate_runner_ascii.py @@ -0,0 +1,38 @@ +""" +ASCII-safe wrapper for MolGate runner. +Runs the pretty runner and strips non-ASCII chars from output. +""" + +from __future__ import annotations + +import subprocess +import sys +from pathlib import Path + +BASE_DIR = Path(__file__).resolve().parent +PYTHON = sys.executable + + +def _to_ascii_line(line: str) -> str: + return line.encode("ascii", errors="replace").decode("ascii", errors="replace") + + +def main(argv: list[str] | None = None) -> int: + args = argv if argv is not None else sys.argv[1:] + cmd = [PYTHON, str(BASE_DIR / "molgate_runner_pretty.py"), *args] + proc = subprocess.Popen( + cmd, + stdout=subprocess.PIPE, + stderr=subprocess.STDOUT, + text=True, + encoding="utf-8", + errors="replace", + ) + assert proc.stdout is not None + for line in proc.stdout: + sys.stdout.write(_to_ascii_line(line)) + return proc.wait() + + +if __name__ == "__main__": + raise SystemExit(main()) diff --git a/engines/molgate_runner_pretty.py b/engines/molgate_runner_pretty.py new file mode 100644 index 0000000000000000000000000000000000000000..7314f076e1edcb065ff75311d25e9fe18bd4e4a2 --- /dev/null +++ b/engines/molgate_runner_pretty.py @@ -0,0 +1,677 @@ +""" +MolGate — Single Drug Runner +一次跑一個藥的完整 pipeline（Module 1 → Module 5） +人機協作正常進行，遇到決策點自然停下來 + +用法： + python molgate_runner.py + python molgate_runner.py --drug 0 # 直接選第 0 個藥（DRUGS 陣列索引） + python molgate_runner.py --catalog-drug-id 22 # 用外部 catalog 的 drug_id（見各藥 catalog_drug_id） + python molgate_runner.py --from-stage 3 # 從 Module 3 繼續（已有 session） + python molgate_runner.py --drug 21 --non-interactive --allow-network # 無本地 PDB 時允許從 RCSB 下載 +""" + +from __future__ import annotations + +import argparse +import json +import os +import re +import subprocess +import sys +from datetime import datetime +from pathlib import Path + +PYTHON = sys.executable +BASE_DIR = Path(__file__).resolve().parent + +if hasattr(sys.stdout, "reconfigure"): + # Avoid Windows console codec crashes on non-encodable CJK chars. + sys.stdout.reconfigure(errors="replace") +if hasattr(sys.stderr, "reconfigure"): + sys.stderr.reconfigure(errors="replace") + +# ── 藥物清單 ────────────────────────────────────────── +DRUGS = [ + { + "drug": "Ibuprofen", + "index_key": "COX2", + "smiles": "CC(C)Cc1ccc(cc1)C(C)C(=O)O", + "target": "COX2", + "pdb_id": "5IKT", + "het_id": "TLF", + "note": "COX-2 抑制劑，NSAID 代表藥物", + }, + { + "drug": "Celecoxib", + "index_key": "COX2_CLX", + "smiles": "CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F", + "target": "COX2", + "pdb_id": "3LN1", + "het_id": "CLX", + "note": "COX-2 選擇性抑制劑", + }, + { + "drug": "Oseltamivir", + "index_key": "NEURAMINIDASE", + "smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](N)C1", + "target": "Neuraminidase", + "pdb_id": "2HU4", + "het_id": "G39", + "note": "流感神經氨酸酶抑制劑（克流感）", + }, + { + "drug": "Imatinib", + "index_key": "ABLABL", + "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", + "target": "ABLABL", + "pdb_id": "1IEP", + "het_id": "STI", + "note": "BCR-ABL 激酶抑制劑（基利克）", + }, + { + "drug": "Methotrexate", + "index_key": "DHFR", + "smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", + "target": "DHFR", + "pdb_id": "1U72", + "het_id": "MTX", + "note": "二氫葉酸還原酶抑制劑，抗癌/抗類風溼", + }, + { + "drug": "Fluconazole", + "index_key": "CYP51", + "smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", + "target": "CYP51", + "pdb_id": "4WMZ", + "het_id": "FLC", + "note": "CYP51 抑制劑，抗黴菌藥", + }, + { + "drug": "Sildenafil", + "index_key": "PDE5", + "smiles": "CCCC1=NN(C)C(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc21", + "target": "PDE5", + "pdb_id": "2H42", + "het_id": "SLD", + "note": "PDE5 抑制劑（威而鋼）", + }, + { + "drug": "Acetazolamide", + "index_key": "CA2", + "smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", + "target": "CA2", + "pdb_id": "3HS4", + "het_id": "AZM", + "note": "碳酸酐酶 II 抑制劑，利尿劑", + }, + { + "drug": "Gefitinib", + "index_key": "EGFR", + "smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", + "target": "EGFR", + "pdb_id": "4WKQ", + "het_id": "IRE", + "note": "EGFR 激酶抑制劑（艾瑞莎）", + }, + { + "drug": "Warfarin", + "index_key": "VKOR", + "smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", + "target": "VKOR", + "pdb_id": "6WV3", + "het_id": "SWF", + "note": "人源 VKOR + warfarin（6WV3，共晶配體 CCD：SWF）；勿用 4KP6（該為 PDE4B / 1S1）", + }, + { + "drug": "Tacrolimus", + "index_key": "FKBP12_TACROLIMUS", + "smiles": r"C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC", + "target": "FKBP12", + "pdb_id": "1FKJ", + "het_id": "FK5", + "note": "FKBP12–FK506（1FKJ，CCD FK5）；direct tacrolimus anchor，適合大環／立體佔據基準", + }, + { + "drug": "Quetiapine", + "index_key": "DRD2_QUETIAPINE_PROXY", + "smiles": "C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42", + "target": "DRD2", + "pdb_id": "6CM4", + "het_id": "8NU", + "note": "Proxy：無 quetiapine 直接受體共晶；以 DRD2/6CM4 口袋（共晶 8NU）當暫代，勿當 direct benchmark", + }, + { + "drug": "Erlotinib", + "index_key": "EGFR_ERLOTINIB", + "smiles": "COCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1", + "target": "EGFR", + "pdb_id": "1M17", + "het_id": "AQ4", + "note": "EGFR–Erlotinib（1M17，CCD AQ4）；direct cocrystal anchor，穩定 kinase benchmark", + }, + { + "drug": "Vardenafil", + "index_key": "PDE5_VARDENAFIL", + "smiles": "CCCCC1=C2N(C)C(=O)N(C(C2=NC=C1S(=O)(=O)N3CCN(CC3)C)OCC)C", + "target": "PDE5", + "pdb_id": "1UDT", + "het_id": "VIA", + "note": "PDE5–Vardenafil（1UDT，CCD VIA）；direct cocrystal anchor，可與 Sildenafil 作同家族配對基準", + }, + { + "drug": "Apixaban", + "index_key": "FXA_APIXABAN", + "smiles": "O=C(N)c1cnn2c1N(c1ccc(OC)cc1)CC(c1ccc(N3CCCCC3=O)cc1)=CC2=O", + "target": "FACTOR_XA", + "pdb_id": "2P16", + "het_id": "GG2", + "note": "Factor Xa–Apixaban（2P16，CCD GG2）；direct cocrystal anchor，抗凝血系列擴充基準", + }, + { + "drug": "Rivaroxaban", + "index_key": "FXA_RIVAROXABAN", + "smiles": "Clc1ccc(cc1)C2=C(CN3CCOCC3)N(C(=O)N[C@H]4CO[C@H](C4)c5ccc(s5)Cl)C(=O)N2", + "target": "FACTOR_XA", + "pdb_id": "2W26", + "het_id": "RIV", + "note": "Factor Xa–Rivaroxaban（2W26，CCD RIV）；direct cocrystal anchor，可與 Apixaban 作同家族配對基準", + }, + { + "drug": "Vorinostat", + "index_key": "HDAC2_VORINOSTAT", + "smiles": "O=C(NO)CCCCCCC(=O)Nc1ccccc1", + "target": "HDAC2", + "pdb_id": "4LXZ", + "het_id": "SHH", + "note": "HDAC2–Vorinostat（4LXZ，CCD SHH）；direct cocrystal anchor，適合鋅依賴 HDAC 基準", + }, + { + "drug": "Nilotinib", + "index_key": "ABL_NILOTINIB", + "smiles": "CC1=NC(=CC(=N1)Nc2ccc(cc2)C(=O)Nc3cc(ccc3N4CCN(C)CC4)C(F)(F)F)C", + "target": "ABL", + "pdb_id": "3CS9", + "het_id": "NIL", + "note": "ABL–Nilotinib（3CS9，CCD NIL）；direct cocrystal anchor，第二代 ABL kinase 基準", + }, + { + "drug": "Bosutinib", + "index_key": "ABL_BOSUTINIB", + "smiles": "COc1cc2c(Nc3c(Cl)cc(c(c3Cl)OC)Cl)nc(C#N)cc2cc1OCCCN1CCN(C)CC1", + "target": "ABL", + "pdb_id": "3UE4", + "het_id": "DB8", + "note": "ABL–Bosutinib（3UE4，CCD DB8）；direct cocrystal anchor，建議作 ABL 家族配對基準", + }, + { + "drug": "Ponatinib", + "index_key": "DDR1_PONATINIB", + "smiles": "Cc1cc(ccc1Nc2ncc(cn2)C#Cc3cnc4ccccc4n3)C(=O)Nc5ccc(cc5)CN6CCN(CC6)C", + "target": "DDR1", + "pdb_id": "3ZOS", + "het_id": "0LI", + "note": "DDR1–Ponatinib（3ZOS，CCD 0LI）；direct cocrystal anchor，ponatinib 的清晰直錨點", + }, + { + "drug": "Cilomilast", + "index_key": "PDE4D_CILOMILAST", + "smiles": "COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N", + "target": "PDE4D", + "pdb_id": "1XOM", + "het_id": "CIO", + "note": "PDE4D–Cilomilast（1XOM，CCD CIO）；direct cocrystal anchor，PDE4 家族穩定 benchmark", + }, + { + "drug": "Roflumilast", + "catalog_drug_id": 22, + "index_key": "PDE4D_ROFLUMILAST", + "smiles": "c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F", + "target": "PDE4D", + "pdb_id": "3G4L", + "het_id": "ROF", + "note": "PDE4D–Roflumilast（3G4L，CCD ROF）；direct cocrystal anchor，可與 Cilomilast 成對基準", + }, + { + "drug": "Alogliptin", + "catalog_drug_id": 23, + "index_key": "DPP4_ALOGLIPTIN", + "smiles": "CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N", + "target": "DPP4", + "pdb_id": "2ONC", + "het_id": "SY1", + "note": "DPP4–Alogliptin／2ONC：正式索引以 PDB 殘基 SY1 為準（CCD T22）；與 master_index DPP4_ALOGLIPTIN 一致", + }, + { + "drug": "Linagliptin", + "catalog_drug_id": 24, + "index_key": "DPP4_LINAGLIPTIN", + "smiles": "CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C", + "target": "DPP4", + "pdb_id": "2RGU", + "het_id": "356", + "note": "DPP4–Linagliptin（2RGU，CCD 356）；direct cocrystal anchor，可與 Alogliptin 配對", + }, +] + +_SESSION_ID_RE = re.compile(r"^[a-fA-F0-9]{16}$") + +# ── 工具函式 ────────────────────────────────────────── +def run(cmd: list[str]) -> int: + """執行指令，繼承 stdin/stdout（保留人機介入）。""" + print(f"\n $ {' '.join(cmd)}") + print(" " + "─" * 50) + env = dict(os.environ) + env["PYTHONUTF8"] = "1" + env["PYTHONIOENCODING"] = "utf-8" + result = subprocess.run(cmd, env=env) + return result.returncode + +def banner(msg: str): + print("\n" + "═" * 55) + print(f" {msg}") + print("═" * 55) + + +def print_startup_banner() -> None: + """啟動儀式橫幅（ASCII；SESSION START 為實際執行時間）。""" + ts = datetime.now().strftime("%Y-%m-%d %H:%M:%S") + print( + f""" +================================================================================ + __ __ _ _____ _ + | \/ | ___ | |/ ____| __ _| |_ ___ + | |\/| |/ _ \\| | | __ / _` | __/ _ \\ + | | | | (_) | | | |_ | (_| | || __/ + |_| |_|\\___/|_|\\____|\\__,_|\\__\\___/ + + S I N G L E D R U G R U N N E R +-------------------------------------------------------------------------------- + [BOOT] Initializing molecular workflow... + [MODE] Structured docking pipeline + [CORE] Input -> Ligand -> Receptor -> Pocket -> Docking -> Review +================================================================================ + + SESSION START : {ts} + ENGINE : MolGate + PIPELINE : Single Drug Runner + +================================================================================ +""" + ) + + +def target_key(drug: dict) -> str: + """Master Index 查詢鍵（與顯示 target 分離）。""" + return str(drug.get("index_key") or drug["target"]).strip().upper() + + +def load_master_index() -> dict[str, dict]: + p = BASE_DIR / "master_index.json" + if not p.is_file(): + return {} + try: + raw = json.loads(p.read_text(encoding="utf-8")) + except Exception: + return {} + out: dict[str, dict] = {} + for k, v in raw.items(): + if k.startswith("_"): + continue + if isinstance(v, dict): + out[k.strip().upper()] = v + return out + + +def validate_drug_index_entry(drug: dict) -> tuple[bool, str]: + """跑前檢查：index key 是否存在，且 pdb/het 與 runner 設定是否一致。""" + key = target_key(drug) + idx = load_master_index() + ent = idx.get(key) + if ent is None: + return False, f"Master Index 缺少 key={key}（請先補 master_index.json）" + + mism = [] + p_runner = str(drug.get("pdb_id", "")).strip().upper() + p_idx = str(ent.get("pdb_id", "")).strip().upper() + if p_runner and p_idx and p_runner != p_idx: + mism.append(f"pdb_id runner={p_runner} vs index={p_idx}") + + h_runner = str(drug.get("het_id", "")).strip().upper() + h_idx = str(ent.get("het_id") or ent.get("cocrystal_het") or "").strip().upper() + if h_runner and h_idx and h_runner != h_idx: + mism.append(f"het_id runner={h_runner} vs index={h_idx}") + + if mism: + return False, "；".join(mism) + return True, "OK" + +def select_drug(default: int | None, catalog_drug_id: int | None) -> tuple[int, dict]: + if default is not None and catalog_drug_id is not None: + print("❌ 請勿同時指定 --drug 與 --catalog-drug-id") + sys.exit(2) + + if catalog_drug_id is not None: + for i, d in enumerate(DRUGS): + cid = d.get("catalog_drug_id") + if cid is not None and int(cid) == int(catalog_drug_id): + print( + f"\n 選定藥物（catalog drug_id={catalog_drug_id}）：" + f"[DRUGS 索引 {i}] {d['drug']} / {d['target']} (index_key={target_key(d)})" + ) + return i, d + print(f"❌ 找不到 catalog_drug_id={catalog_drug_id}（請在 DRUGS 內設定 catalog_drug_id）") + sys.exit(2) + + if default is not None: + if not (0 <= default < len(DRUGS)): + print(f"❌ --drug 編號超出範圍：{default}（有效 0–{len(DRUGS) - 1}）") + sys.exit(2) + d = DRUGS[default] + print(f"\n 選定藥物：[{default}] {d['drug']} / {d['target']} (index_key={target_key(d)})") + return default, d + + print("\n ── 選擇藥物 ──") + for i, d in enumerate(DRUGS): + print(f" [{i:2d}] {d['drug']:<18} → {d['target']:<12} [{target_key(d):<14}] {d['note']}") + + while True: + try: + raw = input("\n 請輸入編號：").strip() + idx = int(raw) + if 0 <= idx < len(DRUGS): + return idx, DRUGS[idx] + except (ValueError, KeyboardInterrupt): + pass + print(" 請輸入有效編號") + +def get_session_id(session_dir: Path) -> str | None: + """從 session 目錄找最新的 session ID。""" + if not session_dir.exists(): + return None + sessions = sorted(session_dir.iterdir(), key=lambda p: p.stat().st_mtime, reverse=True) + if sessions: + return sessions[0].name + return None + + +def list_valid_sessions(session_base: Path) -> list[Path]: + """只列出合法 session 目錄（16 位 hex 且含 session_meta.json）。""" + if not session_base.exists(): + return [] + out: list[Path] = [] + for p in session_base.iterdir(): + if not p.is_dir(): + continue + if not _SESSION_ID_RE.match(p.name): + continue + if not (p / "session_meta.json").is_file(): + continue + out.append(p) + out.sort(key=lambda x: x.stat().st_mtime, reverse=True) + return out + +def find_latest_session(drug: dict) -> Path | None: + """找這個藥最近的 session。""" + session_base = BASE_DIR / "molgate_sessions" + if not session_base.exists(): + return None + # 找有 stage_03_index.json（Module 1 完成）且 index key 符合的 session + key = target_key(drug) + for s in list_valid_sessions(session_base): + idx = s / "stage_03_index.json" + if idx.exists(): + try: + data = json.loads(idx.read_text(encoding="utf-8")) + if data.get("target", "").upper() == key: + return s + except Exception: + pass + return None + +# ── Pipeline 各 Module ──────────────────────────────── +def run_module1(drug: dict, *, allow_network: bool) -> Path | None: + banner("MODULE 1 — Input Validation") + cmd1: list[str] = [ + PYTHON, str(BASE_DIR / "molgate_module1.py"), + "--smiles", drug["smiles"], + "--target", target_key(drug), + "--pdb-id", drug["pdb_id"], + ] + cid = drug.get("catalog_drug_id") + if cid is not None: + cmd1 += ["--drug-id", str(int(cid)), "--drug-label", str(drug.get("drug", ""))] + if allow_network: + cmd1.append("--allow-network") + code = run(cmd1) + if code != 0: + print("❌ Module 1 失敗") + return None + + # 找剛建立且與本次 target/pdb 對應的 session（避免誤撿其他藥物最新 session） + session_base = BASE_DIR / "molgate_sessions" + key = target_key(drug) + expect_pdb = str(drug.get("pdb_id", "")).strip().upper() + for s in list_valid_sessions(session_base): + idx = s / "stage_03_index.json" + if not idx.is_file(): + continue + try: + data = json.loads(idx.read_text(encoding="utf-8")) + except Exception: + continue + t = str(data.get("target", "")).strip().upper() + p = str(data.get("pdb_id", "")).strip().upper() + if t == key and (not expect_pdb or p == expect_pdb): + return s + return None + +def run_module2(sd: Path, drug: dict) -> bool: + banner("MODULE 2 — Ligand Enumeration") + for script, label in [ + ("molgate_module2_engineB.py", "Engine B：質子化 + 互變異構"), + ("molgate_module2_engineC.py", "Engine C：PDBQT 轉換"), + ]: + print(f"\n [{label}]") + code = run([ + PYTHON, str(BASE_DIR / script), + "--session-dir", str(sd), + "--target", target_key(drug), + ]) + if code != 0: + print(f"❌ Module 2 {script} 失敗") + return False + return True + +def run_module3(sd: Path, drug: dict, *, non_interactive: bool) -> bool: + banner("MODULE 3 — Protein Preparation") + for script, label in [ + ("molgate_module3_engineA.py", "Engine A：PDB 清理"), + ("molgate_module3_engineB.py", "Engine B：人機決策"), + ("molgate_module3_engineC.py", "Engine C：Receptor PDBQT"), + ]: + print(f"\n [{label}]") + cmd3: list[str] = [ + PYTHON, str(BASE_DIR / script), + "--session-dir", str(sd), + "--target", target_key(drug), + ] + if script == "molgate_module3_engineB.py" and non_interactive: + cmd3 += ["--non-interactive"] + keep_json = sd / "_ui_stage15_keep.json" + if keep_json.is_file(): + cmd3 += ["--het-keep-json", str(keep_json)] + code = run(cmd3) + if code != 0: + print(f"❌ Module 3 {script} 失敗") + return False + return True + +def run_module4(sd: Path, drug: dict, *, non_interactive: bool) -> bool: + banner("MODULE 4 — Pocket Definition") + for script, label in [ + ("molgate_module4_engineA.py", "Engine A：HETATM 掃描"), + ("molgate_module4_engineB.py", "Engine B：配體確認"), + ("molgate_module4_engineC.py", "Engine C：口袋中心計算"), + ]: + print(f"\n [{label}]") + cmd4: list[str] = [ + PYTHON, str(BASE_DIR / script), + "--session-dir", str(sd), + "--target", target_key(drug), + ] + if script == "molgate_module4_engineB.py" and non_interactive: + cmd4.append("--non-interactive") + if script == "molgate_module4_engineC.py" and non_interactive: + cmd4.append("--non-interactive") + code = run(cmd4) + if code != 0: + print(f"❌ Module 4 {script} 失敗") + return False + return True + +def run_module5(sd: Path, drug: dict, vina_bin: str | None, *, non_interactive: bool) -> bool: + banner("MODULE 5 — Docking & Review") + + resolved_vina_bin = vina_bin + if not resolved_vina_bin: + for cand in ( + BASE_DIR / "tool" / "vina" / "vina.exe", + BASE_DIR / "tool" / "vina" / "vina.exe.exe", + ): + if cand.is_file(): + resolved_vina_bin = str(cand) + break + + cmd_a = [ + PYTHON, str(BASE_DIR / "molgate_module5_engineA.py"), + "--session-dir", str(sd), + "--target", target_key(drug), + ] + if resolved_vina_bin: + cmd_a += ["--vina-bin", resolved_vina_bin] + print(f" [Vina binary] {resolved_vina_bin}") + + print("\n [Engine A：Vina + QC]") + code = run(cmd_a) + if code != 0: + print("❌ Module 5 Engine A 失敗") + return False + + print("\n [Engine B：人工審核]") + cmd5b: list[str] = [ + PYTHON, str(BASE_DIR / "molgate_module5_engineB.py"), + "--session-dir", str(sd), + ] + if non_interactive: + cmd5b += ["--decision", "ACCEPT"] + code = run(cmd5b) + if code != 0: + print("❌ Module 5 Engine B 失敗") + return False + + return True + +# ── 主流程 ──────────────────────────────────────────── +def main(): + ap = argparse.ArgumentParser(description="MolGate Single Drug Runner") + ap.add_argument("--drug", type=int, default=None, help=f"DRUGS 陣列索引（0–{len(DRUGS) - 1}）") + ap.add_argument( + "--catalog-drug-id", + type=int, + default=None, + help="外部藥物 catalog 的 drug_id（僅部分藥物在 DRUGS 內設有 catalog_drug_id）", + ) + ap.add_argument("--from-stage", type=int, default=1, help="從哪個 Module 開始（1-5）") + ap.add_argument("--session-dir",default=None, help="指定 session 目錄（from-stage > 1 時使用）") + ap.add_argument("--vina-bin", default=None, help="AutoDock Vina 執行檔路徑") + ap.add_argument( + "--non-interactive", + action="store_true", + help="M3B/M4B/M4C 使用 --non-interactive；M5B 使用 --decision ACCEPT（M2B 仍可能詢問）", + ) + ap.add_argument( + "--allow-network", + action="store_true", + help="Module 1 Stage 02：無本地 PDB 時允許 HTTPS 下載（傳給 molgate_module1.py）", + ) + args = ap.parse_args() + + print_startup_banner() + + # 選藥 + drug_idx, drug = select_drug(args.drug, args.catalog_drug_id) + print(f"\n 藥物：{drug['drug']}") + if drug.get("catalog_drug_id") is not None: + print(f" catalog drug_id：{drug['catalog_drug_id']}（寫入 session_meta / registry）") + print( + f" Target：{drug['target']} | index_key：{target_key(drug)} " + f"| PDB：{drug['pdb_id']} | HET：{drug['het_id']}" + ) + print(f" 說明：{drug['note']}") + + ok, msg = validate_drug_index_entry(drug) + if not ok: + print(f"❌ Index 前置檢查失敗：{msg}") + print(" 請先補齊/修正 master_index.json 後再跑") + sys.exit(1) + + from_stage = args.from_stage + + # 確認 session + if from_stage > 1: + if args.session_dir: + sd = Path(args.session_dir) + else: + sd = find_latest_session(drug) + if sd is None: + print("❌ 找不到此藥的既有 session，請從 --from-stage 1 開始") + sys.exit(1) + print(f"\n 繼續 session：{sd}") + else: + sd = None + + print(f"\n 從 Module {from_stage} 開始\n") + print(" 自動開始執行（略過 Enter 確認）") + + # ── Module 1 ── + if from_stage <= 1: + sd = run_module1(drug, allow_network=args.allow_network) + if sd is None: + sys.exit(1) + print(f"\n Session 建立：{sd}") + + # ── Module 2 ── + if from_stage <= 2: + if not run_module2(sd, drug): + sys.exit(1) + + # ── Module 3 ── + if from_stage <= 3: + if not run_module3(sd, drug, non_interactive=args.non_interactive): + sys.exit(1) + + # ── Module 4 ── + if from_stage <= 4: + if not run_module4(sd, drug, non_interactive=args.non_interactive): + sys.exit(1) + + # ── Module 5 ── + if from_stage <= 5: + if not run_module5(sd, drug, args.vina_bin, non_interactive=args.non_interactive): + sys.exit(1) + + # ── 完成 ── + banner("Pipeline 完成 ✓") + print(f" 藥物：{drug['drug']} / {drug['target']}") + print(f" Session：{sd}") + report = sd / "final_report.json" + if report.exists(): + r = json.loads(report.read_text(encoding="utf-8")) + print(f" Best affinity：{r.get('best_affinity','?')} kcal/mol") + print(f" Confidence tier：{r.get('confidence_tier','?')}") + print(f" Decision：{r.get('status','?')}") + print(f"\n 結束時間：{datetime.now().strftime('%Y-%m-%d %H:%M:%S')}") + +if __name__ == "__main__": + main() diff --git a/engines/molgate_sessions/.gitkeep b/engines/molgate_sessions/.gitkeep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/huggingface/DEPLOY.md b/huggingface/DEPLOY.md new file mode 100644 index 0000000000000000000000000000000000000000..950e7668c4626a10da1cae52d0a279b47dd70dd5 --- /dev/null +++ b/huggingface/DEPLOY.md @@ -0,0 +1,69 @@ +# Hugging Face Space 部署指南 + +## 1. 建立 Space（網頁） + +1. 登入 https://huggingface.co +2. **New Space** → Name: `DrugOps`（Owner: `chihsing`） +3. **SDK: Docker** +4. Visibility: Public + +## 2. 推送程式碼 + +**先登入**（只需做一次）： + +```powershell +hf auth login +# 或：hf auth login --token hf_你的token +``` + +在本機 `moltgate_UI` 目錄： + +```powershell +cd C:\Users\User\Downloads\moltgate_UI +.\huggingface\push_space.ps1 +``` + +或手動： + +```powershell +cd C:\Users\User\Downloads\moltgate_UI +git remote add space https://huggingface.co/spaces/chihsing/DrugOps +git push -u space main +``` + +## 3. HF CLI（替代） + +```powershell +huggingface-cli login +huggingface-cli repo create CreaDrug-DrugOps --type space --space_sdk docker +# 然後 git remote add 同上 +``` + +## 4. Space Secrets（選填） + +| Secret | 用途 | +|--------|------| +| `DEEPSEEK_API_KEY` | Module AI 助手 | +| `CREADRUG_URL` | 3D 按鈕指向 stromapath showboard | + +## 5. 本機測 Docker 建置 + +```powershell +cd C:\Users\User\Downloads\moltgate_UI +docker build -f huggingface/Dockerfile -t creadrug-drugops . +docker run --rm -p 7860:7860 creadrug-drugops +``` + +開 http://127.0.0.1:7860/ + +## 6. 不會上傳的內容（.dockerignore） + +- `data/sessions/`（1GB+ 本機跑結果） +- `data/pdb/`（離線 PDB 包，Space 用 network 下載） +- Windows `vina.exe` + +## 7. 部署後驗證 + +- `GET /api/health` — gateway + modules +- `GET /api/catalog/batch-summary` — 300 例 browse +- Module 1 → 貼 SMILES → catalog 綠色提示 diff --git a/huggingface/Dockerfile b/huggingface/Dockerfile new file mode 100644 index 0000000000000000000000000000000000000000..854da87fa1b55e06a90aa97365ede1f1bb16275b --- /dev/null +++ b/huggingface/Dockerfile @@ -0,0 +1,35 @@ +# CreaDrug · DrugOps — Hugging Face Docker Space +# Build: docker build -f huggingface/Dockerfile -t creadrug-drugops . +FROM python:3.11-slim-bookworm + +LABEL org.opencontainers.image.title="CreaDrug DrugOps" +LABEL org.opencontainers.image.description="CreaDrug platform · DrugOps 27-stage docking UI" + +RUN apt-get update && apt-get install -y --no-install-recommends \ + autodock-vina \ + openbabel \ + libxrender1 \ + libxext6 \ + libgomp1 \ + ca-certificates \ + && rm -rf /var/lib/apt/lists/* + +WORKDIR /app + +COPY huggingface/requirements.txt /tmp/requirements.txt +RUN pip install --no-cache-dir -r /tmp/requirements.txt + +COPY . /app + +RUN chmod +x /app/huggingface/entrypoint.sh \ + && mkdir -p /app/data/sessions /app/data/pdb /app/data/examples + +ENV MOLGATE_UI_HOME=/app \ + MOLGATE_HOST=0.0.0.0 \ + MOLGATE_HF_SPACE=1 \ + MOLGATE_VINA_BIN=/usr/bin/vina \ + PORT=7860 + +EXPOSE 7860 + +CMD ["/app/huggingface/entrypoint.sh"] diff --git a/huggingface/entrypoint.sh b/huggingface/entrypoint.sh new file mode 100644 index 0000000000000000000000000000000000000000..11016109f1a78a9e2983009873b3fd935673e0de --- /dev/null +++ b/huggingface/entrypoint.sh @@ -0,0 +1,13 @@ +#!/usr/bin/env bash +set -euo pipefail +cd /app +export MOLGATE_UI_HOME=/app +export MOLGATE_HOST=0.0.0.0 +export MOLGATE_HF_SPACE=1 +export MOLGATE_GATEWAY_PORT="${PORT:-7860}" +export MOLGATE_VINA_BIN="${MOLGATE_VINA_BIN:-/usr/bin/vina}" +export PYTHONUNBUFFERED=1 +export PYTHONIOENCODING=utf-8 +mkdir -p data/sessions data/pdb data/examples +echo "[CreaDrug DrugOps] listening on 0.0.0.0:${MOLGATE_GATEWAY_PORT}" +exec python servers/gateway.py diff --git a/huggingface/push_space.ps1 b/huggingface/push_space.ps1 new file mode 100644 index 0000000000000000000000000000000000000000..a850a917ee8a547f246f3034398b767e5deb9265 --- /dev/null +++ b/huggingface/push_space.ps1 @@ -0,0 +1,37 @@ +# Push DrugOps to Hugging Face Space +# Usage: .\huggingface\push_space.ps1 [-Username chihsing] [-SpaceName DrugOps] +param( + [string]$Username = "chihsing", + [string]$SpaceName = "DrugOps" +) + +$ErrorActionPreference = "Stop" +$Root = Split-Path $PSScriptRoot -Parent +Set-Location $Root + +Write-Host "Repo root: $Root" + +hf auth whoami +if ($LASTEXITCODE -ne 0) { + Write-Host "Please login first: hf auth login" + exit 1 +} + +$remote = "https://huggingface.co/spaces/$Username/$SpaceName" +Write-Host "Target Space: $remote" + +if (-not (git rev-parse --verify HEAD 2>$null)) { + git add . + git commit -m "CreaDrug DrugOps HF Space initial deploy" +} + +git branch -M main +if (-not (git remote get-url space 2>$null)) { + git remote add space $remote +} else { + git remote set-url space $remote +} + +Write-Host "Pushing to $remote ..." +git push -u space main +Write-Host "Done. Open: $remote" diff --git a/huggingface/requirements.txt b/huggingface/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..75ecc33ac6e613cafdc4fc32843a00a0c6a7a9da --- /dev/null +++ b/huggingface/requirements.txt @@ -0,0 +1,9 @@ +# DrugOps HF Space — Python dependencies (Module 1–5) +flask>=2.3 +gunicorn>=21.0 +rdkit>=2022.09.1 +numpy>=1.24 +scipy>=1.10 +biopython>=1.81 +meeko +gemmi diff --git a/index.html b/index.html new file mode 100644 index 0000000000000000000000000000000000000000..15ea229ed5fe9dd06ee533fa1c83897ba9527190 --- /dev/null +++ b/index.html @@ -0,0 +1,402 @@ + + + + + +DrugOps + + + + + +
+ + +
+ +
+ +
+ DrugOps + CreaDrug + +
+ + +
+ + +
+
+ + +
+
+ + CreaDrug 計算藥物對接平台 +
+

+ 從 SMILES
到
Docking +

+

CreaDrug 平台 · DrugOps 27 Stage 品質管控 pipeline，從首頁依序進入 Module 1→5。請執行 bin\\start_all.bat，依終端機顯示的網址開啟（預設 port 8780）。

+ +
+ 進入 Module 1 開始 → + ReasonMind 藥研助手 → +
+
+ + +
+
+
三段落流程
+
+
+ + +
+ +
+
+
+
+
01
+
+
段落 1 · 配體準備
+
藥品 · 配體
+
Module 1–2  ·  Stage 01–09
+
+
+
+
+

輸入 SMILES 與靶點後，系統完成標準化、質子化態與互變異構選擇，輸出可直接對接的 3D 配體。

+
+ ligand.pdb + ligand.pdbqt + SMILES + LIGAND_READY +
+
+ 進入 Module 1 → + Module 2 → + CreaDrug 3D → +
+
+
+ +
+
+
+
+
02
+
+
段落 2 · 受體清理
+
受體 · 蛋白結構
+
Module 3  ·  Stage 10–19
+
+
+
+
+

下載並清理 PDB 結構：鏈選擇、水分子去除、輔因子決策，輸出可供口袋定義與對接使用的 cleaned 受體。

+
+ cleaned.pdb + receptor.pdbqt + PDB ID + STRUCTURE_READY +
+
+ 進入 Module 3 → + CreaDrug 3D → +
+
+
+ +
+
+
+
+
03
+
+
段落 3 · 對接執行
+
Docking 完成
+
Module 4–5  ·  Stage 21–26
+
+
+
+
+

定義口袋、執行 AutoDock Vina，取得最佳 pose、結合親和力與信心 tier，可在 CreaDrug 以受體＋pose 方式檢視對接結果。

+
+ best_pose.pdb + affinity + confidence tier + DOCK_COMPLETE +
+
+ 進入 Module 4 → + Module 5 → + CreaDrug 3D → +
+
+
+ +
+ + +
+
+
準備開始新的對接流程？
+
從 Module 1 輸入 SMILES，全程自動化完成 27 個 Stage。
+
+ 進入 Module 1 → +
+ + +
+
CreaDrug · DrugOps Pipeline
+
+ M1 + M2 + M3 + M4 + M5 +
+
+ +
+ + + diff --git a/molgate_ui/__init__.py b/molgate_ui/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..ea1bbed623c5da7c64f32ea43460afcf2444861d --- /dev/null +++ b/molgate_ui/__init__.py @@ -0,0 +1 @@ +"""MolGate UI Python package.""" diff --git a/molgate_ui/__pycache__/__init__.cpython-313.pyc b/molgate_ui/__pycache__/__init__.cpython-313.pyc new file mode 100644 index 0000000000000000000000000000000000000000..44f8bf7fabf3222b781bacbceede1dccfc4936ba Binary files /dev/null and b/molgate_ui/__pycache__/__init__.cpython-313.pyc differ diff --git a/molgate_ui/__pycache__/console_utf8.cpython-313.pyc b/molgate_ui/__pycache__/console_utf8.cpython-313.pyc new file mode 100644 index 0000000000000000000000000000000000000000..2233474b7e7ed188ee27b7ed57530b78ec7474f7 Binary files /dev/null and b/molgate_ui/__pycache__/console_utf8.cpython-313.pyc differ diff --git a/molgate_ui/ai_keys.py b/molgate_ui/ai_keys.py new file mode 100644 index 0000000000000000000000000000000000000000..54d85ca0a91989e567ba7c017a5d047608d53c32 --- /dev/null +++ b/molgate_ui/ai_keys.py @@ -0,0 +1,104 @@ +"""AI API key — read from config/ai_key.local.py, deepseek_tg.py, config/.env.""" + +from __future__ import annotations + +import os +import re +from pathlib import Path + +AI_DISPLAY_NAME = "170B AI" +AI_MODEL_LABEL = "170B" + +_PLACEHOLDERS = {"", "你的_TELEGRAM_BOT_TOKEN", "YOUR_TELEGRAM_BOT_TOKEN", "sk-your-key-here"} +_KEY_RE = re.compile(r'^\s*DEEPSEEK_API_KEY\s*=\s*["\']([^"\']+)["\']', re.MULTILINE) +_PKG_ROOT = Path(__file__).resolve().parents[1] + + +def _valid(key: str) -> bool: + key = (key or "").strip() + return bool(key and key not in _PLACEHOLDERS) + + +def _from_local_py() -> str: + path = _PKG_ROOT / "config" / "ai_key.local.py" + if not path.is_file(): + return "" + try: + ns: dict = {} + exec(path.read_text(encoding="utf-8"), ns) # noqa: S102 + val = str(ns.get("DEEPSEEK_API_KEY", "")).strip() + return val if _valid(val) else "" + except Exception: + return "" + + +def _from_env_file() -> str: + path = _PKG_ROOT / "config" / ".env" + if not path.is_file(): + return "" + for line in path.read_text(encoding="utf-8").splitlines(): + line = line.strip() + if line.startswith("DEEPSEEK_API_KEY="): + val = line.split("=", 1)[1].strip().strip('"').strip("'") + return val if _valid(val) else "" + return "" + + +def _candidate_scripts() -> list[Path]: + roots: list[Path] = [_PKG_ROOT] + home = (os.environ.get("MOLGATE_UI_HOME") or "").strip() + if home: + p = Path(home).resolve() + if p not in roots: + roots.append(p) + cwd = Path.cwd().resolve() + if cwd not in roots: + roots.append(cwd) + scripts: list[Path] = [] + for root in roots: + script = root / "deepseek_tg.py" + if script.is_file() and script not in scripts: + scripts.append(script) + return scripts + + +def read_inline_deepseek_key() -> str: + for script in _candidate_scripts(): + try: + text = script.read_text(encoding="utf-8") + except OSError: + continue + match = _KEY_RE.search(text) + if not match: + continue + val = match.group(1).strip() + if _valid(val): + return val + return "" + + +def get_deepseek_api_key() -> str: + for source in (_from_local_py, read_inline_deepseek_key, _from_env_file): + key = source() + if _valid(key): + os.environ["DEEPSEEK_API_KEY"] = key + return key + env = (os.environ.get("DEEPSEEK_API_KEY") or "").strip() + if _valid(env): + return env + return "" + + +def ensure_api_keys_loaded() -> None: + get_deepseek_api_key() + + +def ai_public_config() -> dict: + key_ok = bool(get_deepseek_api_key()) + return { + "ok": True, + "display_name": AI_DISPLAY_NAME, + "model_label": AI_MODEL_LABEL, + "configured": key_ok, + "ai_configured": key_ok, + } diff --git a/molgate_ui/anchor_routing.py b/molgate_ui/anchor_routing.py new file mode 100644 index 0000000000000000000000000000000000000000..ee59bd56fde89841daa25155dda18fe5f763ecf8 --- /dev/null +++ b/molgate_ui/anchor_routing.py @@ -0,0 +1,558 @@ +""" +Anchor route resolution — verify catalog HET in PDB and fallback Direct → Proxy/Template. + +When anchor_mode=direct but het_id is absent from the structure, downgrade to a +validated proxy/template entry (same target) or an auto-detected surrogate ligand +on the same PDB, instead of failing at Module 4 Stage 22. +""" + +from __future__ import annotations + +import csv +import json +import re +from dataclasses import asdict, dataclass, field +from pathlib import Path +from typing import Any + +from molgate_ui.data_cache import find_cached_pdb +from molgate_ui.paths import CONFIG, PDB_DIR + +# Keep in sync with molgate_module4_engineA filter sets (audit / drug-like heuristics). +_BUFFER_IONS = { + "HOH", "WAT", "GOL", "EDO", "PEG", "MPD", "DMS", "FMT", "ACT", "TRS", "MES", + "EPE", "BME", "DTT", "TCE", "IMD", "SO4", "PO4", "CIT", "ACY", "EOH", "IPA", + "MOH", "BOG", "CL", "NA", "MG", "ZN", "CA", "K", "FE", "MN", "CU", "NI", "CO", + "CD", "HG", "PT", "AU", "AG", "SR", "BA", "CS", "RB", "IOD", "BR", "F", "LI", + "AL", "SE", +} +_GLYCANS = { + "NAG", "NGA", "BMA", "MAN", "GAL", "GLC", "GCS", "MAL", "MAB", "MBG", "BGC", + "FUC", "FUL", "RAM", "LFR", "GLO", "XYP", "XYS", "XYF", "XUL", "SIA", "SLB", + "A2G", "M6D", "MMA", "MGL", "NGK", "IDR", +} +_MW_CUTOFF = 150.0 + +SESSION_ROUTE_KEYS = ( + "pdb_id", + "het_id", + "cocrystal_het", + "pocket_rule", + "anchor_mode", + "state", + "target_drug", + "common_name", + "tier", + "_route_fallback", + "_original_pdb_id", + "_original_het_id", + "_proxy_source_key", + "_route_resolution_status", +) + +_SURROGATE_RE = re.compile(r"^(?:surrogate_[^:]+|cocrystal_ligand):([A-Z0-9]{3})$", re.I) + + +@dataclass +class HetResidue: + resname: str + chain: str + resseq: int + heavy_atom_count: int + mw_estimate: float + + def as_candidate(self, *, role: str = "candidate") -> dict[str, Any]: + return { + "resname": self.resname, + "chain": self.chain, + "resseq": self.resseq, + "heavy_atom_count": self.heavy_atom_count, + "mw_estimate": round(self.mw_estimate, 1), + "ligand_role": role, + } + + +@dataclass +class RouteResolution: + status: str + het_found: bool + fallback_applied: bool + reason: str + original_entry: dict[str, Any] + effective_entry: dict[str, Any] + pdb_ligand_resnames: list[str] = field(default_factory=list) + drug_like_resnames: list[str] = field(default_factory=list) + proxy_source_key: str | None = None + suggested_ccd: str | None = None + + def to_json(self) -> dict[str, Any]: + return asdict(self) + + +def load_catalog_rows(config_dir: Path | None = None) -> list[dict[str, str]]: + root = config_dir or CONFIG + rows: list[dict[str, str]] = [] + for path in sorted(root.glob("drug_catalog_batch*.csv")): + with path.open(encoding="utf-8-sig", newline="") as fh: + rows.extend(csv.DictReader(fh)) + rows.sort(key=lambda r: int(r["drug_id"])) + return rows + + +def resolve_pdb_path(pdb_id: str, pdb_dir: Path | None = None) -> Path | None: + root = pdb_dir or PDB_DIR + pid = pdb_id.strip().upper() + for name in (f"{pid}.pdb", f"{pid.lower()}.pdb"): + p = root / name + if p.is_file() and p.stat().st_size > 0: + return p + cached = find_cached_pdb(pid) + return cached + + +def parse_pocket_rule_het(pocket_rule: str) -> str: + m = _SURROGATE_RE.match((pocket_rule or "").strip()) + return m.group(1).upper() if m else "" + + +def expected_het_from_entry(entry: dict[str, Any]) -> str: + for key in ("het_id", "cocrystal_het"): + v = entry.get(key) + if isinstance(v, str) and v.strip(): + return v.strip().upper() + pr = parse_pocket_rule_het(str(entry.get("pocket_rule") or "")) + return pr + + +def scan_pdb_het_residues(pdb_path: Path) -> list[HetResidue]: + if not pdb_path.is_file(): + return [] + seen: set[tuple[str, str, int]] = set() + heavy: dict[tuple[str, str, int], int] = {} + names: dict[tuple[str, str, int], str] = {} + + for line in pdb_path.read_text(encoding="utf-8", errors="replace").splitlines(): + if not line.startswith("HETATM"): + continue + if len(line) < 22: + continue + resname = line[17:20].strip().upper() + chain = line[21].strip() or " " + try: + resseq = int(line[22:26].strip()) + except ValueError: + continue + key = (resname, chain, resseq) + if key not in seen: + seen.add(key) + names[key] = resname + heavy[key] = 0 + element = line[76:78].strip() if len(line) >= 78 else "" + if element and element.upper() != "H": + heavy[key] = heavy.get(key, 0) + 1 + elif not element: + heavy[key] = heavy.get(key, 0) + 1 + + out: list[HetResidue] = [] + for key in sorted(seen): + resname, chain, resseq = key + ha = heavy.get(key, 0) + mw = float(ha * 13.0 if ha else 10.0) + out.append(HetResidue(resname, chain, resseq, ha, mw)) + return out + + +def is_drug_like_resname(resname: str, *, mw: float | None = None) -> bool: + rsn = resname.upper() + if rsn in _BUFFER_IONS or rsn in _GLYCANS: + return False + if mw is not None and mw < _MW_CUTOFF: + return False + return True + + +def drug_like_residues(residues: list[HetResidue]) -> list[HetResidue]: + return [r for r in residues if is_drug_like_resname(r.resname, mw=r.mw_estimate)] + + +def find_proxy_template( + catalog_rows: list[dict[str, str]], + *, + target_label: str, + exclude_key: str, + pdb_dir: Path | None = None, +) -> tuple[dict[str, str], str] | None: + """Pick another catalog row on the same target with a usable ligand in its PDB.""" + label = target_label.strip().upper() + excl = exclude_key.strip().upper() + candidates: list[tuple[int, dict[str, str], str]] = [] + + for row in catalog_rows: + if (row.get("target_label") or "").strip().upper() != label: + continue + key = (row.get("index_key") or "").strip().upper() + if key == excl: + continue + het = (row.get("het_id") or "").strip().upper() + pdb_id = (row.get("pdb_id") or "").strip().upper() + if not pdb_id: + continue + pdb_path = resolve_pdb_path(pdb_id, pdb_dir) + if not pdb_path: + continue + residues = scan_pdb_het_residues(pdb_path) + resnames = {r.resname for r in residues} + effective_het = "" + if het and het in resnames: + effective_het = het + else: + drug_like = drug_like_residues(residues) + if drug_like: + effective_het = max(drug_like, key=lambda r: (r.mw_estimate, r.heavy_atom_count)).resname + if not effective_het: + continue + tier = int(row.get("tier") or "9") + score = tier * 10 + (0 if (row.get("anchor_mode") or "") == "direct" else 1) + candidates.append((score, row, effective_het)) + + if not candidates: + return None + candidates.sort(key=lambda x: x[0]) + row, het = candidates[0][1], candidates[0][2] + return row, het + + +def _apply_proxy_template( + entry: dict[str, Any], + template: dict[str, str], + effective_het: str, + reason: str, +) -> RouteResolution: + orig = dict(entry) + het = effective_het.strip().upper() + pdb_id = (template.get("pdb_id") or "").strip().upper() + effective = dict(entry) + effective["pdb_id"] = pdb_id + effective["het_id"] = het + effective["cocrystal_het"] = het + effective["anchor_mode"] = "proxy" + effective["state"] = "bound_proxy" + base_rule = str(template.get("pocket_rule") or "") + if base_rule.startswith("surrogate_"): + prefix = base_rule.split(":", 1)[0] + effective["pocket_rule"] = f"{prefix}:{het}" + else: + effective["pocket_rule"] = f"surrogate_template_ligand:{het}" + effective["_route_fallback"] = "DIRECT_TO_CROSS_PDB_PROXY" + effective["_original_pdb_id"] = orig.get("pdb_id") + effective["_original_het_id"] = expected_het_from_entry(orig) + effective["_proxy_source_key"] = (template.get("index_key") or "").strip().upper() + effective["_route_resolution_status"] = "cross_pdb_proxy" + if template.get("tier"): + effective["tier"] = template.get("tier") + return RouteResolution( + status="cross_pdb_proxy", + het_found=False, + fallback_applied=True, + reason=reason, + original_entry=orig, + effective_entry=effective, + proxy_source_key=effective["_proxy_source_key"], + suggested_ccd=het, + ) + + +def _apply_same_pdb_surrogate( + entry: dict[str, Any], + surrogate: HetResidue, + reason: str, +) -> RouteResolution: + orig = dict(entry) + effective = dict(entry) + effective["het_id"] = surrogate.resname + effective["cocrystal_het"] = surrogate.resname + effective["anchor_mode"] = "proxy" + effective["state"] = "bound_proxy" + effective["pocket_rule"] = f"surrogate_auto_ligand:{surrogate.resname}" + effective["_route_fallback"] = "DIRECT_TO_SAME_PDB_SURROGATE" + effective["_original_het_id"] = expected_het_from_entry(orig) + effective["_route_resolution_status"] = "same_pdb_surrogate" + effective["suggested_ccd"] = surrogate.resname + return RouteResolution( + status="same_pdb_surrogate", + het_found=False, + fallback_applied=True, + reason=reason, + original_entry=orig, + effective_entry=effective, + suggested_ccd=surrogate.resname, + drug_like_resnames=[surrogate.resname], + ) + + +def resolve_anchor_route( + entry: dict[str, Any], + pdb_dir: Path | None = None, + *, + catalog_rows: list[dict[str, str]] | None = None, +) -> RouteResolution: + """Resolve effective anchor route; apply fallback when direct het is missing.""" + orig = dict(entry) + pdb_id = str(entry.get("pdb_id") or "").strip().upper() + expected = expected_het_from_entry(entry) + anchor_mode = str(entry.get("anchor_mode") or "direct").strip().lower() + pocket_rule = str(entry.get("pocket_rule") or "") + index_key = str(entry.get("index_key") or entry.get("_index_key") or "").strip().upper() + target_label = str(entry.get("target_label") or entry.get("target") or "").strip() + + pdb_path = resolve_pdb_path(pdb_id, pdb_dir) if pdb_id else None + residues = scan_pdb_het_residues(pdb_path) if pdb_path else [] + resnames = sorted({r.resname for r in residues}) + drug_like = drug_like_residues(residues) + drug_names = sorted({r.resname for r in drug_like}) + + if expected and expected in resnames: + eff = dict(entry) + eff.setdefault("_route_resolution_status", "direct_ok") + return RouteResolution( + status="direct_ok", + het_found=True, + fallback_applied=False, + reason=f"{expected} present in {pdb_id}", + original_entry=orig, + effective_entry=eff, + pdb_ligand_resnames=resnames, + drug_like_resnames=drug_names, + ) + + # Proxy/template row — verify surrogate het if rule encodes one. + if anchor_mode != "direct" or pocket_rule.startswith("surrogate_"): + rule_het = parse_pocket_rule_het(pocket_rule) + check_het = rule_het or expected + if check_het and check_het in resnames: + eff = dict(entry) + eff.setdefault("_route_resolution_status", "proxy_ok") + return RouteResolution( + status="proxy_ok", + het_found=True, + fallback_applied=False, + reason=f"proxy het {check_het} present in {pdb_id}", + original_entry=orig, + effective_entry=eff, + pdb_ligand_resnames=resnames, + drug_like_resnames=drug_names, + ) + + rows = catalog_rows if catalog_rows is not None else load_catalog_rows() + + if drug_like: + best = max(drug_like, key=lambda r: (r.mw_estimate, r.heavy_atom_count)) + return _apply_same_pdb_surrogate( + entry, + best, + reason=( + f"catalog het {expected or '?'} missing in {pdb_id}; " + f"auto surrogate {best.resname} (~{best.mw_estimate:.0f} Da)" + ), + ) + + template_hit = find_proxy_template( + rows, + target_label=target_label, + exclude_key=index_key, + pdb_dir=pdb_dir, + ) + if template_hit: + template, eff_het = template_hit + return _apply_proxy_template( + entry, + template, + eff_het, + reason=( + f"catalog het {expected or '?'} missing in {pdb_id} and no drug-like HET; " + f"cross-PDB proxy {template.get('index_key')} " + f"({template.get('pdb_id')}/{eff_het})" + ), + ) + + suggested = drug_names[0] if drug_names else (resnames[0] if resnames else None) + return RouteResolution( + status="no_route", + het_found=False, + fallback_applied=False, + reason=f"het {expected or '?'} missing in {pdb_id}; no fallback template found", + original_entry=orig, + effective_entry=dict(entry), + pdb_ligand_resnames=resnames, + drug_like_resnames=drug_names, + suggested_ccd=suggested, + ) + + +def audit_catalog_entry( + row: dict[str, str], + pdb_dir: Path | None = None, +) -> dict[str, Any]: + """Audit one catalog CSV row against local PDB cache.""" + entry = { + "index_key": row.get("index_key"), + "drug_id": row.get("drug_id"), + "canonical_name": row.get("canonical_name"), + "pdb_id": (row.get("pdb_id") or "").strip().upper(), + "het_id": (row.get("het_id") or "").strip().upper(), + "anchor_mode": row.get("anchor_mode"), + "pocket_rule": row.get("pocket_rule"), + "tier": row.get("tier"), + "target_label": row.get("target_label"), + } + pdb_id = entry["pdb_id"] + het_id = entry["het_id"] + pdb_path = resolve_pdb_path(pdb_id, pdb_dir) if pdb_id else None + pdb_missing = pdb_path is None + + residues: list[HetResidue] = [] + if pdb_path: + residues = scan_pdb_het_residues(pdb_path) + resnames = sorted({r.resname for r in residues}) + drug_like = drug_like_residues(residues) + drug_names = sorted({r.resname for r in drug_like}) + + het_found = bool(het_id and het_id in resnames) + should_be_proxy = False + if (row.get("anchor_mode") or "") == "direct" and not het_found: + should_be_proxy = True + + resolution = resolve_anchor_route( + {**entry, "index_key": entry["index_key"]}, + pdb_dir, + ) + + return { + "drug_id": entry["drug_id"], + "index_key": entry["index_key"], + "canonical_name": entry["canonical_name"], + "pdb_id": pdb_id, + "het_id": het_id, + "anchor_mode": entry["anchor_mode"], + "tier": entry.get("tier"), + "pdb_missing": pdb_missing, + "het_found": het_found, + "pdb_ligand_resnames": resnames, + "drug_like_resnames": drug_names, + "should_be_proxy": should_be_proxy, + "suggested_ccd": resolution.suggested_ccd or (drug_names[-1] if drug_names else None), + "route_status": resolution.status, + "fallback_available": resolution.fallback_applied or resolution.status in { + "cross_pdb_proxy", + "same_pdb_surrogate", + }, + "proxy_source_key": resolution.proxy_source_key, + "effective_pdb_id": resolution.effective_entry.get("pdb_id"), + "effective_het_id": expected_het_from_entry(resolution.effective_entry), + "route_reason": resolution.reason, + } + + +def write_route_resolution(session_dir: Path, resolution: RouteResolution) -> Path: + path = session_dir / "route_resolution.json" + path.write_text( + json.dumps(resolution.to_json(), indent=2, ensure_ascii=False) + "\n", + encoding="utf-8", + ) + return path + + +def apply_resolution_to_session_index(session_dir: Path, resolution: RouteResolution) -> None: + """Merge effective route fields into session_index.json.""" + idx_path = session_dir / "session_index.json" + base: dict[str, Any] = {} + if idx_path.is_file(): + try: + base = json.loads(idx_path.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + base = {} + for key in SESSION_ROUTE_KEYS: + if key in resolution.effective_entry: + base[key] = resolution.effective_entry[key] + base["_route_resolution"] = { + "status": resolution.status, + "fallback_applied": resolution.fallback_applied, + "reason": resolution.reason, + "proxy_source_key": resolution.proxy_source_key, + } + idx_path.write_text(json.dumps(base, indent=2, ensure_ascii=False) + "\n", encoding="utf-8") + + +def merge_session_route_overrides(entry: dict[str, Any], session_dir: Path) -> dict[str, Any]: + """Overlay session_index / route_resolution onto a master_index entry.""" + out = dict(entry) + session_path = session_dir / "session_index.json" + if session_path.is_file(): + try: + session_entry = json.loads(session_path.read_text(encoding="utf-8")) + for key in SESSION_ROUTE_KEYS: + val = session_entry.get(key) + if val not in (None, ""): + out[key] = val + except (json.JSONDecodeError, OSError): + pass + route_path = session_dir / "route_resolution.json" + if route_path.is_file(): + try: + route = json.loads(route_path.read_text(encoding="utf-8")) + eff = route.get("effective_entry") or {} + for key in SESSION_ROUTE_KEYS: + val = eff.get(key) + if val not in (None, ""): + out[key] = val + except (json.JSONDecodeError, OSError): + pass + return out + + +def m4_recover_empty_candidates( + session_dir: Path, + entry: dict[str, Any], + *, + pdb_dir: Path | None = None, +) -> dict[str, Any] | None: + """ + Stage 22 recovery when Stage 21 has zero candidates. + Re-scan cleaned/raw PDB and pick surrogate or cross-pdb proxy metadata. + """ + pdb_id = str(entry.get("pdb_id") or "").strip().upper() + cleaned = session_dir / "protein" / "cleaned.pdb" + scan_path = cleaned if cleaned.is_file() else None + if scan_path is None and pdb_id: + scan_path = resolve_pdb_path(pdb_id, pdb_dir) + if not scan_path or not scan_path.is_file(): + return None + + residues = scan_pdb_het_residues(scan_path) + drug_like = drug_like_residues(residues) + if drug_like: + best = max(drug_like, key=lambda r: (r.mw_estimate, r.heavy_atom_count)) + resolution = _apply_same_pdb_surrogate( + entry, + best, + reason=f"M4 recovery: no Stage-21 candidates; use {best.resname} from {scan_path.name}", + ) + write_route_resolution(session_dir, resolution) + apply_resolution_to_session_index(session_dir, resolution) + return { + "effective_entry": resolution.effective_entry, + "candidates": [best.as_candidate(role="target")], + "resolution": resolution, + } + + resolution = resolve_anchor_route(entry, pdb_dir) + if resolution.status == "cross_pdb_proxy": + write_route_resolution(session_dir, resolution) + apply_resolution_to_session_index(session_dir, resolution) + return { + "effective_entry": resolution.effective_entry, + "candidates": [], + "resolution": resolution, + "needs_rerun_from_m1": True, + } + return None diff --git a/molgate_ui/catalog_lookup.py b/molgate_ui/catalog_lookup.py new file mode 100644 index 0000000000000000000000000000000000000000..6917704b6aa0e16b1e6c29cba60835c3eba0cc49 --- /dev/null +++ b/molgate_ui/catalog_lookup.py @@ -0,0 +1,196 @@ +""" +Offline lookup: SMILES → catalog entry → master index contract. + +Reads config/drug_catalog_smiles_index.json (built by scripts/build_catalog_smiles_index.py). +""" + +from __future__ import annotations + +import csv +import json +from functools import lru_cache +from pathlib import Path +from typing import Any + +from molgate_ui.index_normalize import normalize_index +from molgate_ui.paths import CONFIG, MASTER_INDEX + +SMILES_INDEX = CONFIG / "drug_catalog_smiles_index.json" + + +def canonicalize_smiles(smiles: str) -> tuple[str | None, str | None]: + raw = (smiles or "").strip() + if not raw: + return None, "SMILES 為空" + try: + from rdkit import Chem + except ImportError: + return raw, None + mol = Chem.MolFromSmiles(raw) + if mol is None: + return None, "SMILES 無法解析" + return Chem.MolToSmiles(mol, isomericSmiles=True, canonical=True), None + + +def _load_master_index() -> dict[str, Any]: + if not MASTER_INDEX.is_file(): + return {} + try: + return json.loads(MASTER_INDEX.read_text(encoding="utf-8")) + except (OSError, json.JSONDecodeError): + return {} + + +def _read_batch_rows() -> list[dict[str, str]]: + rows: list[dict[str, str]] = [] + for path in sorted(CONFIG.glob("drug_catalog_batch*.csv")): + with path.open(encoding="utf-8-sig", newline="") as fh: + rows.extend(csv.DictReader(fh)) + rows.sort(key=lambda r: int(r.get("drug_id") or 0)) + return rows + + +def _entry_from_row(row: dict[str, str]) -> dict[str, Any]: + return { + "drug_id": row.get("drug_id", ""), + "index_key": (row.get("index_key") or "").strip().upper(), + "canonical_name": row.get("canonical_name", ""), + "target_label": row.get("target_label", ""), + "family": row.get("family", ""), + "pdb_id": (row.get("pdb_id") or "").strip().upper(), + "het_id": (row.get("het_id") or "").strip().upper(), + "symptom_group": row.get("symptom_group", ""), + "tier": row.get("tier", ""), + "pocket_rule": row.get("pocket_rule", ""), + "state": row.get("state", ""), + "batch": row.get("batch", ""), + "index_in_master": row.get("index_in_master", ""), + } + + +@lru_cache(maxsize=1) +def load_smiles_index() -> dict[str, Any]: + if SMILES_INDEX.is_file(): + try: + return json.loads(SMILES_INDEX.read_text(encoding="utf-8")) + except (OSError, json.JSONDecodeError): + pass + return build_smiles_index(persist=False) + + +def build_smiles_index(*, persist: bool = True) -> dict[str, Any]: + rows = _read_batch_rows() + by_canonical: dict[str, list[dict[str, Any]]] = {} + by_index: dict[str, dict[str, Any]] = {} + parse_fail: list[dict[str, str]] = [] + + for row in rows: + raw_smiles = (row.get("smiles") or "").strip() + if not raw_smiles: + continue + entry = _entry_from_row(row) + entry["input_smiles"] = raw_smiles + canon, err = canonicalize_smiles(raw_smiles) + if canon is None: + parse_fail.append( + { + "drug_id": row.get("drug_id", ""), + "index_key": entry["index_key"], + "canonical_name": entry["canonical_name"], + "reason": err or "parse_fail", + } + ) + canon = raw_smiles + entry["canonical_smiles"] = canon + by_canonical.setdefault(canon, []).append(entry) + by_index[entry["index_key"]] = entry + + unique_smiles = len(by_canonical) + ambiguous = sum(1 for hits in by_canonical.values() if len(hits) > 1) + + payload: dict[str, Any] = { + "_schema_version": "0.1", + "catalog_rows": len(rows), + "unique_canonical_smiles": unique_smiles, + "ambiguous_smiles_groups": ambiguous, + "parse_fail_count": len(parse_fail), + "parse_fail": parse_fail, + "by_canonical_smiles": by_canonical, + "by_index_key": by_index, + } + if persist: + SMILES_INDEX.write_text( + json.dumps(payload, ensure_ascii=False, indent=2) + "\n", + encoding="utf-8", + ) + return payload + + +def _attach_master(matches: list[dict[str, Any]], master: dict[str, Any]) -> list[dict[str, Any]]: + out: list[dict[str, Any]] = [] + for m in matches: + row = dict(m) + key = row.get("index_key", "") + entry = master.get(key) + if isinstance(entry, dict): + row["master"] = normalize_index(entry) + out.append(row) + return out + + +def lookup_by_smiles(smiles: str) -> dict[str, Any]: + raw = (smiles or "").strip() + if not raw: + return {"found": False, "reason": "empty", "matches": []} + + index = load_smiles_index() + by_canonical: dict[str, list[dict[str, Any]]] = index.get("by_canonical_smiles", {}) + master = _load_master_index() + + canon, err = canonicalize_smiles(raw) + keys_to_try: list[str] = [] + if canon: + keys_to_try.append(canon) + if raw not in keys_to_try: + keys_to_try.append(raw) + + matches: list[dict[str, Any]] = [] + matched_key = "" + for key in keys_to_try: + hits = by_canonical.get(key) + if hits: + matches = _attach_master(hits, master) + matched_key = key + break + + if not matches: + return { + "found": False, + "reason": err or "not_in_catalog", + "input_smiles": raw, + "canonical_smiles": canon, + "matches": [], + "hint_zh": "此 SMILES 不在 300 藥 catalog 中，請手填 Target 與 PDB。", + } + + return { + "found": True, + "ambiguous": len(matches) > 1, + "input_smiles": raw, + "canonical_smiles": canon or matched_key, + "matched_key": matched_key, + "matches": matches, + } + + +def lookup_by_index_key(key: str) -> dict[str, Any]: + k = (key or "").strip().upper() + if not k: + return {"found": False, "matches": []} + index = load_smiles_index() + entry = index.get("by_index_key", {}).get(k) + if not entry: + return {"found": False, "key": k, "matches": []} + master = _load_master_index() + matches = _attach_master([entry], master) + return {"found": True, "ambiguous": False, "key": k, "matches": matches} diff --git a/molgate_ui/console_utf8.py b/molgate_ui/console_utf8.py new file mode 100644 index 0000000000000000000000000000000000000000..e5d90a01dd9d597aa7038d82fc8e31c97d3630ea --- /dev/null +++ b/molgate_ui/console_utf8.py @@ -0,0 +1,44 @@ +"""Force UTF-8 console output on Windows (avoid cp950 UnicodeEncodeError).""" + +from __future__ import annotations + +import os +import sys + + +def configure_console_utf8() -> None: + if os.name == "nt": + os.environ.setdefault("PYTHONIOENCODING", "utf-8") + os.environ.setdefault("PYTHONUTF8", "1") + for stream in (sys.stdout, sys.stderr): + reconfigure = getattr(stream, "reconfigure", None) + if callable(reconfigure): + try: + reconfigure(encoding="utf-8", errors="replace") + except Exception: + pass + + +def subprocess_env(base: dict[str, str] | None = None) -> dict[str, str]: + env = dict(base or os.environ) + env.setdefault("PYTHONIOENCODING", "utf-8") + env.setdefault("PYTHONUTF8", "1") + return env + + +def stdin_is_interactive() -> bool: + """subprocess 無 TTY 時應避免 input()。""" + try: + return bool(sys.stdin.isatty()) + except Exception: + return False + + +def should_prompt_interactive(*, non_interactive: bool = False) -> bool: + """Web/API subprocess 或 --non-interactive 時不呼叫 input()。""" + if non_interactive: + return False + flag = os.environ.get("MOLGATE_NON_INTERACTIVE", "").strip().lower() + if flag in ("1", "true", "yes", "on"): + return False + return stdin_is_interactive() diff --git a/molgate_ui/contracts/CONNECTION.md b/molgate_ui/contracts/CONNECTION.md new file mode 100644 index 0000000000000000000000000000000000000000..036f4afb756c474fa6078ec25721909f30cabdc2 --- /dev/null +++ b/molgate_ui/contracts/CONNECTION.md @@ -0,0 +1,26 @@ +# MolGate UI — 單一入口 + +完整約定：`molgate_ui/contracts/README.md` + +## 啟動 + +```bat +bin\start_all.bat +``` + +**預設網址：http://127.0.0.1:8780/**（見 `config/ui_ports.json`） + +## 改 port + +- `config/ui_ports.json` → `"gateway": 8780` +- 或環境變數 `MOLGATE_GATEWAY_PORT=8790` + +## 站內流程 + +``` +/ → /module/1 → … → /module/5 +``` + +## 健康檢查 + +`GET http://127.0.0.1:8780/api/health`（port 依設定為準） diff --git a/molgate_ui/contracts/INDEX.md b/molgate_ui/contracts/INDEX.md new file mode 100644 index 0000000000000000000000000000000000000000..b610cca0b2ef653f6803cce8290a67fe2c82db67 --- /dev/null +++ b/molgate_ui/contracts/INDEX.md @@ -0,0 +1,42 @@ +# Index JSON Contract（Module 1） + +實作：`molgate_ui/index_normalize.py`（`normalize_index` / `validate_index`） + +## 必填（4 欄） + +| 欄位 | 說明 | +|------|------| +| `pdb_id` | 4 碼 RCSB ID | +| `family` | 蛋白家族，如 `cyclooxygenase` | +| `state` | `bound` / `apo` / … | +| `target_drug` | docking 藥物名 | + +## 選填（可自動補） + +| 欄位 | 預設邏輯 | +|------|----------| +| `target_drug` | 空 → `drug_label` → Target 名 → `ligand` | +| `common_name` | 空 → 同 `target_drug` | +| `het_id` | 空 → 省略；Module 4 手動選配體 | +| `pocket_rule` | 有 het → `cocrystal_ligand:HET`；bound 無 het → `auto_detect`；apo → `manual_coords` | +| `box_padding` | `10` | +| `contaminant_chains` | `[]` | +| `override` | `{}` | + +## 範例（最小可跑） + +```json +{ + "pdb_id": "5IKT", + "family": "cyclooxygenase", + "state": "bound", + "target_drug": "Ibuprofen" +} +``` + +normalize 後會補上 `common_name`、`pocket_rule: auto_detect` 等。 + +## API + +- `POST /api/index/validate` → `{ valid, errors, normalized }` +- `POST /api/session/create` → body.index 會先 normalize 再寫 `session_index.json` diff --git a/molgate_ui/contracts/README.md b/molgate_ui/contracts/README.md new file mode 100644 index 0000000000000000000000000000000000000000..053e2354d497b27a9cd766fd20bd5c408ae7bff4 --- /dev/null +++ b/molgate_ui/contracts/README.md @@ -0,0 +1,36 @@ +# MolGate UI — Contracts（統一約定） + +程式碼的單一真相來源：`molgate_ui/paths.py` +人類可讀規格：本目錄各 `.md` 檔。 + +| 文件 | 內容 | +|------|------| +| [CONNECTION.md](CONNECTION.md) | 啟動、port、站內 URL | +| [STORAGE.md](STORAGE.md) | **data/** 目錄、session、PDB 快取、Railway Volume | +| [session_layout.md](session_layout.md) | 單一 session 資料夾結構 | +| [INDEX.md](INDEX.md) | Module 1 Index JSON 欄位與預設值 | + +## 目錄對照（速查） + +``` +moltgate_UI/ + data/ + sessions/{16hex}/ ← 所有 module 共用（M1–M5） + pdb/{PDBID}.pdb ← 下載快取，跨 session 重用 + examples/ ← 範例完整 run（唯讀參考） + config/ ← master_index、port、.env + molgate_ui/paths.py ← 路徑常數（勿硬編碼別的路徑） +``` + +## 環境變數 + +| 變數 | 用途 | +|------|------| +| `MOLGATE_UI_HOME` | 套件根目錄（`start_all.bat` 自動設定） | +| `MOLGATE_SESSIONS` | 覆寫 session 根目錄（預設 `data/sessions`） | +| `MOLGATE_GATEWAY_PORT` | HTTP 入口 port（預設 8780） | + +## 禁止 + +- 勿再寫入 `engines/molgate_sessions/`（已廢棄，改用 `data/sessions`） +- 勿雙擊 HTML（`file://`）；一律走 gateway HTTP diff --git a/molgate_ui/contracts/STORAGE.md b/molgate_ui/contracts/STORAGE.md new file mode 100644 index 0000000000000000000000000000000000000000..8313093468eb484de20b670e3698c696445ad3d4 --- /dev/null +++ b/molgate_ui/contracts/STORAGE.md @@ -0,0 +1,55 @@ +# Storage Contract — 持久化資料 + +MolGate 是 **有狀態 pipeline**：M1→M5 靠同一個 session 目錄接續。 +本機與 Railway 都必須讓 `data/` 可寫且（部署時）**持久化**。 + +## 標準目錄（相對於 `MOLGATE_UI_HOME`） + +| 路徑 | 常數 (`paths.py`) | 說明 | +|------|-------------------|------| +| `data/sessions/` | `SESSIONS` | 每次 docking run 的工作區 | +| `data/pdb/` | `PDB_DIR` | PDB 共用快取（Stage 02 下載後寫入） | +| `data/examples/` | `EXAMPLES` | 完整範例 session（如 ibuprofen_complete） | +| `config/` | `CONFIG` | master_index、ui_ports、.env | + +## Session ID + +- 16 位 hex，由 `sha256(smiles|target|pdb_id|0.3)[:16]` 產生 +- UI 建 session：`POST /api/session/create` → 寫入 `data/sessions/{id}/session_index.json` +- Module 1 必須帶 `--session-id` 寫入**同一目錄**（gateway 已傳） + +## PDB 解析順序（Stage 02） + +1. `{session}/pdb/{PDBID}.pdb`（gateway 可先從快取複製） +2. `data/pdb/{PDBID}.pdb`（共用快取） +3. 勾選「允許網路下載 PDB」→ RCSB 下載 → 寫 session + 更新 `data/pdb/` + +## PDB 快取流程 + +``` +找 PDB： + 1. data/sessions/{本 session}/pdb/5IKT.pdb + 2. data/pdb/5IKT.pdb ← 共用快取 + 3. 其他 session 的 pdb/ + 4. 勾選「允許網路」→ 下載 RCSB + → 寫入 session/pdb/ + → 同步寫入 data/pdb/ ← 下次離線也能用 +``` + +程式：`molgate_ui/data_cache.py`（`cache_pdb` / `find_pdb_for_session`） + +## Railway 部署 + +1. 掛 **Volume** 到容器內 `data/`（或整個 `MOLGATE_UI_HOME/data`） +2. 設定環境變數： + - `MOLGATE_UI_HOME=/app`（或你的工作目錄） + - `MOLGATE_SESSIONS=/app/data/sessions`（可選，預設即此） +3. 第一次 run 需允許對外 HTTP 下載 PDB；之後同 Volume 可離線重用快取 + +## 本機 + +```bat +bin\start_all.bat +``` + +`ensure_runtime_dirs()` 會自動建立 `data/sessions`、`data/pdb`。 diff --git a/molgate_ui/contracts/session_layout.md b/molgate_ui/contracts/session_layout.md new file mode 100644 index 0000000000000000000000000000000000000000..614052470ebb1b819ac01d2755e528b3edc15a8b --- /dev/null +++ b/molgate_ui/contracts/session_layout.md @@ -0,0 +1,42 @@ +# Session layout — `data/sessions/{session_id}/` + +`session_id` = 16 位 hex（見 [STORAGE.md](STORAGE.md)） + +## 入口檔 + +| 檔案 | 誰寫入 | 用途 | +|------|--------|------| +| `session_index.json` | UI / gateway | Module 1 Index（master index 或使用者 JSON） | +| `session_meta.json` | Module 1 | smiles、target、pdb_id 等 meta | + +## Stage 檔（節錄） + +| Stage | 檔名 | Module | +|-------|------|--------| +| 01 | `stage_01_smiles.json` | M1 | +| 02 | `stage_02_pdb.json` | M1 | +| 03 | `stage_03_index.json` | M1 | +| 04–09 | `stage_04_*.json` … `stage_09_ligand_pdbqt.json` | M2 | +| 10–19 | receptor prep | M3 | +| 21–26 | docking | M4–M5 | + +## 子目錄 + +``` +{pdb_id}/ + pdb/{PDBID}.pdb +ligand/ + ligand.pdbqt +protein/ + cleaned.pdb, receptor.pdbqt +docking/ + output.pdbqt, vina.log +``` + +## API（讀 session 狀態） + +- `GET /api/index/status?session={id}` +- `GET /api/session/{id}/status` +- `GET /api/structure/file?session={id}&path=...` + +完整範例目錄：`data/examples/ibuprofen_complete/` diff --git a/molgate_ui/creadrug_export.py b/molgate_ui/creadrug_export.py new file mode 100644 index 0000000000000000000000000000000000000000..7ce9743458052eaf9b92f0e418a96d77848c0332 --- /dev/null +++ b/molgate_ui/creadrug_export.py @@ -0,0 +1,342 @@ +""" +Export a MolGate / DrugOps session into a CreaDrug24 case pack. + +Writes under CREADRUG_ROOT/input/cases// and updates input/cases_molgate.json. +""" + +from __future__ import annotations + +import json +import re +import shutil +from datetime import datetime, timezone +from pathlib import Path +from typing import Any + +from molgate_ui.index_status import safe_session_dir, safe_session_file +from molgate_ui.paths import SESSIONS, creadrug24_root + +CASES_REGISTRY = "input/cases_molgate.json" + + +def _read_json(p: Path) -> dict[str, Any] | None: + if not p.is_file(): + return None + try: + return json.loads(p.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + return None + + +def _first_existing(sd: Path, rel_paths: list[str]) -> Path | None: + for rel in rel_paths: + fp = safe_session_file(sd, rel) + if fp: + return fp + return None + + +def _resolve_drug_id(sd: Path, meta: dict[str, Any] | None, s3: dict[str, Any] | None) -> int | None: + for src in (meta, s3): + if not src: + continue + raw = src.get("drug_id") or src.get("_catalog_drug_id") + if raw is not None: + try: + return int(raw) + except (TypeError, ValueError): + pass + man = _read_json(sd / "molgate_run_manifest.json") + if man: + raw = man.get("drug_id") + if raw is not None: + try: + return int(raw) + except (TypeError, ValueError): + pass + return None + + +def _drug_name(meta: dict[str, Any] | None, s3: dict[str, Any] | None, dr: dict[str, Any] | None) -> str: + for src in (meta, s3, dr): + if not src: + continue + for key in ("drug_label", "drug_name", "target_drug", "common_name"): + val = src.get(key) + if isinstance(val, str) and val.strip(): + return val.strip() + return "" + + +def _target_label(meta: dict[str, Any] | None, s3: dict[str, Any] | None, dr: dict[str, Any] | None) -> str: + target = str( + (meta or {}).get("target") + or (s3 or {}).get("target") + or (dr or {}).get("target") + or "" + ).strip().upper() + if target.endswith("_PROXY"): + return target.split("_")[0] + parts = target.split("_") + return parts[0] if parts else target + + +def _default_case_id(session_id: str, drug_id: int | None) -> str: + if drug_id is not None and drug_id > 0: + return f"M{drug_id:02d}" if drug_id < 100 else f"M{drug_id}" + sid = re.sub(r"[^a-fA-F0-9]", "", session_id)[:8] + return f"M_{sid or 'session'}" + + +def _sanitize_case_id(case_id: str) -> str: + raw = (case_id or "").strip().upper() + if not raw: + raise ValueError("case_id 不可為空") + if not re.match(r"^[A-Z][A-Z0-9_\-]{0,31}$", raw): + raise ValueError(f"case_id 格式不合法：{case_id}") + return raw + + +def _build_docking_log(dr: dict[str, Any] | None, vina_log: Path | None) -> list[str]: + lines: list[str] = [] + if vina_log and vina_log.is_file(): + try: + tail = vina_log.read_text(encoding="utf-8", errors="replace").splitlines()[-12:] + lines.extend(t.strip() for t in tail if t.strip()) + except OSError: + pass + if dr: + aff = dr.get("best_affinity") + mode = dr.get("best_pose_mode", 1) + tier = dr.get("confidence_tier", "") + qc = dr.get("qc_pass") + if aff is not None: + lines.insert(0, f"Mode {mode}: {aff} kcal/mol") + if tier: + lines.append(f"[STAGE 26] Confidence tier {tier}") + if qc is not None: + lines.append(f"[STAGE 25] QC {'PASS' if qc else 'WARN'}") + return lines or ["[DrugOps export] docking log unavailable"] + + +def _build_summary(dr: dict[str, Any] | None, qc: dict[str, Any] | None) -> str: + if dr: + flags = dr.get("flags") or [] + flag_txt = f" Flags: {'; '.join(flags)}" if flags else "" + return ( + f"DrugOps export · best pose #{dr.get('best_pose_mode', 1)} · " + f"affinity {dr.get('best_affinity')} kcal/mol · " + f"tier {dr.get('confidence_tier', '—')}.{flag_txt}" + ) + if qc: + return f"DrugOps export · QC status {qc.get('status', '—')}" + return "DrugOps session export." + + +def build_case_entry( + case_id: str, + case_dir_rel: str, + *, + drug_id: int | None, + drug_name: str, + smiles: str, + target_name: str, + index_key: str, + pdb_id: str, + dr: dict[str, Any] | None, + qc: dict[str, Any] | None, + vina_log: Path | None, + pose_ext: str, +) -> dict[str, Any]: + aff = dr.get("best_affinity") if dr else None + tier = str(dr.get("confidence_tier") or "—") if dr else "—" + qc_pass = dr.get("qc_pass") if dr else None + status = "COMPLETE" if aff is not None else "PARTIAL" + if qc and str(qc.get("status", "")).upper() in ("FAIL", "ERROR"): + status = "QC-FLAG" + return { + "caseId": case_id, + "catalogDrugId": drug_id, + "drugName": drug_name or index_key or case_id, + "formula": "", + "smiles": smiles or "", + "targetName": target_name or index_key, + "indexKey": index_key, + "pdbId": pdb_id, + "receptorPdbUrl": f"{case_dir_rel}/receptor.pdb", + "dockedPdbqtUrl": f"{case_dir_rel}/best_pose.{pose_ext}", + "pocketConfigUrl": f"{case_dir_rel}/stage_23_pocket_center.json", + "dockingResultUrl": f"{case_dir_rel}/docking_result.json", + "bestAffinity": aff, + "confidenceTier": tier, + "status": status if qc_pass is not False else "QC-FLAG", + "summary": _build_summary(dr, qc), + "dockingLog": _build_docking_log(dr, vina_log), + "source": "drugops", + "exportedAt": datetime.now(timezone.utc).isoformat(), + } + + +def _update_registry(creadrug_root: Path, entry: dict[str, Any]) -> Path: + reg_path = creadrug_root / CASES_REGISTRY + reg_path.parent.mkdir(parents=True, exist_ok=True) + payload: dict[str, Any] = {"schema_version": "1.0", "cases": []} + if reg_path.is_file(): + try: + existing = json.loads(reg_path.read_text(encoding="utf-8")) + if isinstance(existing, dict) and isinstance(existing.get("cases"), list): + payload = existing + elif isinstance(existing, list): + payload = {"schema_version": "1.0", "cases": existing} + except (json.JSONDecodeError, OSError): + pass + cases: list[dict[str, Any]] = payload.setdefault("cases", []) + cid = entry["caseId"] + replaced = False + for i, c in enumerate(cases): + if c.get("caseId") == cid: + cases[i] = entry + replaced = True + break + if not replaced: + cases.append(entry) + payload["updated_at"] = datetime.now(timezone.utc).isoformat() + reg_path.write_text(json.dumps(payload, indent=2, ensure_ascii=False) + "\n", encoding="utf-8") + return reg_path + + +def export_session_to_creadrug( + session_id: str, + *, + sessions_root: Path | None = None, + creadrug_root: Path | None = None, + case_id: str | None = None, + overwrite: bool = True, +) -> dict[str, Any]: + """Copy session artifacts into CreaDrug24 and register the case.""" + sid = (session_id or "").strip() + sd = safe_session_dir(sessions_root or SESSIONS, sid) + if not sd: + return {"ok": False, "error": f"session not found: {sid}"} + + root = (creadrug_root or creadrug24_root()).resolve() + if not root.is_dir(): + return {"ok": False, "error": f"CreaDrug24 root not found: {root}"} + + meta = _read_json(sd / "session_meta.json") + s1 = _read_json(sd / "stage_01_smiles.json") + s3 = _read_json(sd / "stage_03_index.json") + dr = _read_json(sd / "docking_result.json") + qc = _read_json(sd / "stage_25_qc.json") + pocket = _read_json(sd / "stage_23_pocket_center.json") or _read_json(sd / "pocket_config.json") + + receptor_src = _first_existing(sd, ["protein/cleaned.pdb", "protein/apo_for_docking.pdb"]) + pose_pdbqt = _first_existing(sd, ["docking/output.pdbqt", "best_pose.pdbqt"]) + pose_pdb = _first_existing(sd, ["best_pose.pdb"]) + + if not receptor_src: + return {"ok": False, "error": "缺少 receptor（protein/cleaned.pdb）"} + if not pose_pdbqt and not pose_pdb: + return {"ok": False, "error": "缺少 docking pose（docking/output.pdbqt 或 best_pose.pdb）"} + if not dr: + return {"ok": False, "error": "缺少 docking_result.json（請先跑完 Module 5 Engine A）"} + + drug_id = _resolve_drug_id(sd, meta, s3) + cid = _sanitize_case_id(case_id or _default_case_id(sid, drug_id)) + case_dir = root / "input" / "cases" / cid + if case_dir.exists() and not overwrite: + return {"ok": False, "error": f"case 已存在：{cid}（加 overwrite=true 覆寫）"} + case_dir.mkdir(parents=True, exist_ok=True) + + shutil.copy2(receptor_src, case_dir / "receptor.pdb") + pose_ext = "pdbqt" + if pose_pdbqt: + shutil.copy2(pose_pdbqt, case_dir / "best_pose.pdbqt") + pose_ext = "pdbqt" + if pose_pdb: + shutil.copy2(pose_pdb, case_dir / "best_pose.pdb") + if not pose_pdbqt: + pose_ext = "pdb" + + for src_name, dst_name in ( + ("docking_result.json", "docking_result.json"), + ("final_report.json", "final_report.json"), + ("stage_24_vina.json", "stage_24_vina.json"), + ("docking/vina.log", "vina.log"), + ): + src = safe_session_file(sd, src_name) + if src: + shutil.copy2(src, case_dir / dst_name) + + if pocket: + (case_dir / "stage_23_pocket_center.json").write_text( + json.dumps(pocket, indent=2, ensure_ascii=False) + "\n", + encoding="utf-8", + ) + + dr_export = dict(dr) + dr_export["output_pdbqt"] = f"input/cases/{cid}/best_pose.{pose_ext}" + (case_dir / "docking_result.json").write_text( + json.dumps(dr_export, indent=2, ensure_ascii=False) + "\n", + encoding="utf-8", + ) + + manifest = { + "caseId": cid, + "session_id": sid, + "catalogDrugId": drug_id, + "exported_at": datetime.now(timezone.utc).isoformat(), + "source": "drugops", + "session_dir": str(sd), + "creadrug_case_dir": str(case_dir), + } + (case_dir / "case_manifest.json").write_text( + json.dumps(manifest, indent=2, ensure_ascii=False) + "\n", + encoding="utf-8", + ) + + case_dir_rel = f"input/cases/{cid}" + index_key = str( + (s3 or {}).get("index_key") + or (meta or {}).get("target") + or (dr or {}).get("target") + or "" + ).strip().upper() + pdb_id = str( + (meta or {}).get("pdb_id") + or (s3 or {}).get("pdb_id") + or (dr or {}).get("pdb_id") + or "" + ).strip().upper() + smiles = str( + (s1 or {}).get("canonical_smiles") + or (s1 or {}).get("input_smiles") + or (meta or {}).get("smiles_input") + or "" + ).strip() + + entry = build_case_entry( + cid, + case_dir_rel, + drug_id=drug_id, + drug_name=_drug_name(meta, s3, dr), + smiles=smiles, + target_name=_target_label(meta, s3, dr), + index_key=index_key, + pdb_id=pdb_id, + dr=dr, + qc=qc, + vina_log=case_dir / "vina.log", + pose_ext=pose_ext, + ) + reg_path = _update_registry(root, entry) + + return { + "ok": True, + "session_id": sid, + "case_id": cid, + "case_dir": str(case_dir), + "registry": str(reg_path), + "entry": entry, + "creadrug_root": str(root), + } diff --git a/molgate_ui/data_cache.py b/molgate_ui/data_cache.py new file mode 100644 index 0000000000000000000000000000000000000000..7d335f0a0aeb2174c60a4ad058b0971b31a93514 --- /dev/null +++ b/molgate_ui/data_cache.py @@ -0,0 +1,68 @@ +""" +Shared on-disk cache under data/ — network downloads land here for reuse. + +Layout (see molgate_ui/contracts/STORAGE.md): + data/pdb/{PDBID}.pdb — PDB 快取（跨 session） + data/sessions/{id}/ — 單次 run 工作區（非快取，但會引用快取） +""" + +from __future__ import annotations + +import shutil +from pathlib import Path + +from molgate_ui.paths import PDB_DIR, SESSIONS, ensure_runtime_dirs + + +def cache_pdb(pdb_id: str, source: Path) -> Path: + """Copy *source* into data/pdb/{PDBID}.pdb (create/update shared cache).""" + ensure_runtime_dirs() + pid = pdb_id.strip().upper() + dest = PDB_DIR / f"{pid}.pdb" + if not source.is_file(): + raise FileNotFoundError(source) + dest.parent.mkdir(parents=True, exist_ok=True) + shutil.copy2(source, dest) + return dest + + +def find_cached_pdb(pdb_id: str) -> Path | None: + """Return data/pdb/{PDBID}.pdb if present.""" + pid = pdb_id.strip().upper() + for name in (f"{pid}.pdb", f"{pid.lower()}.pdb"): + p = PDB_DIR / name + if p.is_file() and p.stat().st_size > 0: + return p + return None + + +def find_pdb_for_session(pdb_id: str, session_dir: Path) -> Path | None: + """Resolve PDB: current session → shared cache → other sessions.""" + pid = pdb_id.strip().upper() + session_path = session_dir / "pdb" / f"{pid}.pdb" + if session_path.is_file() and session_path.stat().st_size > 0: + return session_path + + cached = find_cached_pdb(pid) + if cached: + return cached + + if SESSIONS.is_dir(): + for p in sorted( + SESSIONS.glob(f"*/pdb/{pid}.pdb"), + key=lambda x: x.stat().st_mtime, + reverse=True, + ): + if p.is_file() and p.stat().st_size > 0: + return p + return None + + +def write_session_pdb(pdb_id: str, session_dir: Path, text: str) -> Path: + """Write PDB text into session and refresh shared cache.""" + pid = pdb_id.strip().upper() + out = session_dir / "pdb" / f"{pid}.pdb" + out.parent.mkdir(parents=True, exist_ok=True) + out.write_text(text, encoding="utf-8") + cache_pdb(pid, out) + return out diff --git a/molgate_ui/index_normalize.py b/molgate_ui/index_normalize.py new file mode 100644 index 0000000000000000000000000000000000000000..fab649b955e80a5e7d4b900fe61b7b1617248d37 --- /dev/null +++ b/molgate_ui/index_normalize.py @@ -0,0 +1,93 @@ +"""Master Index JSON — sensible defaults for generic docking runs.""" + +from __future__ import annotations + +from typing import Any + + +def normalize_index(data: dict[str, Any] | None) -> dict[str, Any]: + """Fill optional fields with pipeline-safe defaults.""" + out: dict[str, Any] = dict(data or {}) + + pdb_id = str(out.get("pdb_id") or "").strip().upper() + if pdb_id: + out["pdb_id"] = pdb_id + + state = str(out.get("state") or "bound").strip().lower() or "bound" + out["state"] = state + + target_drug = str( + out.get("target_drug") or out.get("drug_label") or out.get("_target") or "" + ).strip() + if not target_drug: + target_drug = "ligand" + out["target_drug"] = target_drug + out.pop("drug_label", None) + out.pop("_target", None) + + het = str(out.get("het_id") or out.get("cocrystal_het") or "").strip().upper() + if het: + out["het_id"] = het + else: + out.pop("het_id", None) + out.pop("cocrystal_het", None) + + if not str(out.get("common_name") or "").strip() and target_drug: + out["common_name"] = target_drug + + pocket_rule = str(out.get("pocket_rule") or "").strip() + if not pocket_rule: + if het: + pocket_rule = f"cocrystal_ligand:{het}" + elif state in ("apo", "unbound", "open"): + pocket_rule = "manual_coords" + else: + pocket_rule = "auto_detect" + out["pocket_rule"] = pocket_rule + + if out.get("box_padding") in (None, ""): + out["box_padding"] = 10 + + if not isinstance(out.get("contaminant_chains"), list): + out["contaminant_chains"] = [] + + if not isinstance(out.get("override"), dict): + out["override"] = {} + + if "notes" not in out: + out["notes"] = str(out.get("notes") or "") + + return out + + +def validate_index(data: dict[str, Any] | None) -> list[str]: + """Minimal required fields; het_id / common_name / pocket_rule may default.""" + d = normalize_index(data) + errors: list[str] = [] + + for field in ("pdb_id", "family", "state", "target_drug"): + if not str(d.get(field) or "").strip(): + errors.append(f"missing field: {field}") + + pdb = str(d.get("pdb_id") or "") + if pdb and (len(pdb) != 4 or not pdb.isalnum()): + errors.append("pdb_id must be 4 alphanumeric chars") + + het = str(d.get("het_id") or "") + if het and (len(het) != 3 or not het.isalnum()): + errors.append("het_id must be 3 alphanumeric chars") + + pr = str(d.get("pocket_rule") or "") + if pr and het and het not in pr.upper() and not pr.startswith(("auto_detect", "manual_")): + errors.append("pocket_rule does not match het_id") + + pad = d.get("box_padding") + if pad is not None and pad != "": + try: + pad_f = float(pad) + if pad_f < 8 or pad_f > 20: + errors.append("box_padding must be between 8 and 20") + except (TypeError, ValueError): + errors.append("box_padding must be a number") + + return errors diff --git a/molgate_ui/index_status.py b/molgate_ui/index_status.py new file mode 100644 index 0000000000000000000000000000000000000000..9a934a9a4100ddd1fb011f669ec88bbc43734c11 --- /dev/null +++ b/molgate_ui/index_status.py @@ -0,0 +1,220 @@ +""" +MolGate Index — three-section session status API payload builder. +""" + +from __future__ import annotations + +import json +import os +import re +import urllib.parse +from pathlib import Path +from typing import Any + +from molgate_ui.paths import UI_HOME + +_SESSION_ID_RE = re.compile(r"^[a-fA-F0-9]{16}$") + + +def _read_json(p: Path) -> dict[str, Any] | None: + if not p.is_file(): + return None + try: + return json.loads(p.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + return None + + +def safe_session_dir(sessions_root: Path, session_id: str) -> Path | None: + sid = (session_id or "").strip() + if not sid or not _SESSION_ID_RE.match(sid): + return None + root = sessions_root.resolve() + p = (root / sid).resolve() + try: + p.relative_to(root) + except ValueError: + return None + return p if p.is_dir() else None + + +def safe_session_file(sd: Path, rel_path: str) -> Path | None: + rel = (rel_path or "").strip().replace("\\", "/") + if not rel or rel.startswith("/") or ".." in rel.split("/"): + return None + p = (sd / rel).resolve() + try: + p.relative_to(sd.resolve()) + except ValueError: + return None + return p if p.is_file() else None + + +def _file_url(session_id: str, rel_path: str) -> str: + q = urllib.parse.urlencode({"session": session_id, "path": rel_path}) + return f"/api/structure/file?{q}" + + +def _creadrug_url(base: str, session_id: str, target: str, view: str) -> str: + from molgate_ui.paths import creadrug_open_url + + if not base or base.startswith("/"): + return creadrug_open_url(session_id, target, view) + params = urllib.parse.urlencode( + {"session": session_id, "target": target, "view": view, "src": "molgate"} + ) + sep = "&" if "?" in base else "?" + return f"{base}{sep}{params}" + + +def _drug_name(meta: dict[str, Any] | None, s3: dict[str, Any] | None) -> str: + if meta: + for key in ("drug_label", "drug_name", "target_drug"): + val = meta.get(key) + if isinstance(val, str) and val.strip(): + return val.strip() + if s3: + for key in ("target_drug", "common_name"): + val = s3.get(key) + if isinstance(val, str) and val.strip(): + return val.strip() + return "" + + +def build_index_status( + session_id: str, + *, + sessions_root: Path, + creadrug_base: str | None = None, +) -> dict[str, Any]: + from molgate_ui.paths import creadrug_base_url + + creadrug = (creadrug_base or creadrug_base_url()).strip() + sid = (session_id or "").strip() + sd = safe_session_dir(sessions_root, sid) + + base: dict[str, Any] = { + "ok": sd is not None, + "session_id": sid, + "target": "", + "pdb_id": "", + "drug_name": "", + "creadrug_base": creadrug, + "section1_drug": {"ready": False, "label": "PENDING", "creadrug_url": ""}, + "section2_receptor": {"ready": False, "label": "PENDING", "creadrug_url": ""}, + "section3_docking": {"ready": False, "label": "PENDING", "creadrug_url": ""}, + "molgate_links": {}, + "error": None, + "package_root": str(UI_HOME), + } + + if not sid: + base["error"] = "missing session id" + return base + if not sd: + base["error"] = f"session not found: {sid}" + return base + + meta = _read_json(sd / "session_meta.json") + s1 = _read_json(sd / "stage_01_smiles.json") + s3 = _read_json(sd / "stage_03_index.json") + s5 = _read_json(sd / "stage_05_tautomer.json") + s9 = _read_json(sd / "stage_09_ligand_pdbqt.json") + s10 = _read_json(sd / "stage_10_family.json") + dr = _read_json(sd / "docking_result.json") + + target = str( + (meta or {}).get("target") + or (meta or {}).get("index_key") + or (s3 or {}).get("target") + or (dr or {}).get("target") + or "" + ).strip().upper() + pdb_id = str( + (meta or {}).get("pdb_id") + or (s3 or {}).get("pdb_id") + or (dr or {}).get("pdb_id") + or "" + ).strip().upper() + drug_name = _drug_name(meta, s3) + + qs = urllib.parse.urlencode({"session": sid, "target": target}) if target else f"session={sid}" + host = os.environ.get("MOLGATE_HOST", "127.0.0.1") + base["target"] = target + base["pdb_id"] = pdb_id + base["drug_name"] = drug_name + base["molgate_links"] = { + "module1": f"/module/1?{qs}", + "module2": f"/module/2?{qs}", + "module3": f"/module/3?{qs}", + "module4": f"/module/4?{qs}", + "module5": f"/module/5?{qs}", + } + + lig_pdb = safe_session_file(sd, "ligand/ligand.pdb") + lig_pdbqt = safe_session_file(sd, "ligand/ligand.pdbqt") + cleaned = safe_session_file(sd, "protein/cleaned.pdb") + pose_pdb = safe_session_file(sd, "best_pose.pdb") + pose_pdbqt = safe_session_file(sd, "docking/output.pdbqt") + + smiles = "" + if s5 and s5.get("selected_smiles"): + smiles = str(s5["selected_smiles"]) + elif s1 and s1.get("canonical_smiles"): + smiles = str(s1["canonical_smiles"]) + mw = s1.get("mol_weight") if s1 else None + + s1_ready = bool( + s9 and str(s9.get("status", "")).upper() in ("PASS", "OK", "AUTO") and lig_pdbqt + ) + base["section1_drug"] = { + "ready": s1_ready, + "label": "LIGAND_READY" if s1_ready else "PENDING", + "drug_name": drug_name, + "smiles": smiles, + "mol_weight": mw, + "files": { + "ligand_pdb": _file_url(sid, "ligand/ligand.pdb") if lig_pdb else None, + "ligand_pdbqt": _file_url(sid, "ligand/ligand.pdbqt") if lig_pdbqt else None, + }, + "creadrug_url": _creadrug_url(creadrug, sid, target, "ligand") if s1_ready else "", + "module_link": base["molgate_links"]["module2"], + } + + s2_ready = bool(cleaned and cleaned.stat().st_size > 0) + family = (s10 or {}).get("family") or (s3 or {}).get("family") or "" + base["section2_receptor"] = { + "ready": s2_ready, + "label": "STRUCTURE_READY" if s2_ready else "PENDING", + "pdb_id": pdb_id, + "target": target, + "family": str(family), + "files": {"receptor_pdb": _file_url(sid, "protein/cleaned.pdb") if cleaned else None}, + "creadrug_url": _creadrug_url(creadrug, sid, target, "receptor") if s2_ready else "", + "module_link": base["molgate_links"]["module3"], + } + + dock_ready = bool( + dr + and ( + dr.get("ready_for_review") + or dr.get("best_affinity") is not None + or safe_session_file(sd, "stage_24_vina.json") + ) + and (pose_pdb or pose_pdbqt or dr.get("best_affinity") is not None) + ) + base["section3_docking"] = { + "ready": dock_ready, + "label": "DOCK_COMPLETE" if dock_ready else "PENDING", + "affinity": dr.get("best_affinity") if dr else None, + "confidence_tier": dr.get("confidence_tier") if dr else "", + "qc_pass": dr.get("qc_pass") if dr else None, + "files": { + "pose_pdb": _file_url(sid, "best_pose.pdb") if pose_pdb else None, + "pose_pdbqt": _file_url(sid, "docking/output.pdbqt") if pose_pdbqt else None, + "receptor_pdb": _file_url(sid, "protein/cleaned.pdb") if cleaned else None, + }, + "creadrug_url": _creadrug_url(creadrug, sid, target, "pose") if dock_ready else "", + "module_link": base["molgate_links"]["module5"], + } + return base diff --git a/molgate_ui/launcher.py b/molgate_ui/launcher.py new file mode 100644 index 0000000000000000000000000000000000000000..8bcccf97f73911e065934db297ed85a8b1284c62 --- /dev/null +++ b/molgate_ui/launcher.py @@ -0,0 +1,139 @@ +"""Spawn internal module 3–5 servers (localhost only). Browser uses gateway :5000 only.""" + +from __future__ import annotations + +import atexit +import os +import subprocess +import sys +import time +import urllib.error +import urllib.request +from pathlib import Path + +UI_HOME = Path(__file__).resolve().parents[1] +_SERVERS = UI_HOME / "servers" +_MODULE_SCRIPTS: tuple[tuple[str, int, str], ...] = ( + ("module3_server.py", 8765, "/api/status?session="), + ("module4_server.py", 8766, "/api/module4/status?session="), + ("module5_server.py", 8767, "/api/module5/status?session="), +) +_procs: list[subprocess.Popen] = [] + + +def _server_alive(host: str, port: int, health_path: str) -> bool: + url = f"http://{host}:{port}{health_path}" + try: + urllib.request.urlopen(url, timeout=1.5) + return True + except urllib.error.HTTPError: + return True + except Exception: + return False + + +def _listening_pids(port: int) -> list[int]: + try: + out = subprocess.check_output( + ["netstat", "-ano"], + text=True, + errors="replace", + timeout=5, + ) + except (OSError, subprocess.SubprocessError): + return [] + needle = f":{port}" + pids: list[int] = [] + for line in out.splitlines(): + if "LISTENING" not in line or needle not in line: + continue + parts = line.split() + if not parts: + continue + try: + pids.append(int(parts[-1])) + except ValueError: + continue + return list(dict.fromkeys(pids)) + + +def _kill_listeners(port: int) -> None: + if sys.platform != "win32": + return + for pid in _listening_pids(port): + if pid <= 0: + continue + try: + subprocess.run( + ["taskkill", "/F", "/PID", str(pid)], + capture_output=True, + timeout=5, + ) + except (OSError, subprocess.SubprocessError): + pass + + +def _wait_alive(host: str, port: int, health_path: str, timeout_s: float = 15.0) -> None: + deadline = time.time() + timeout_s + while time.time() < deadline: + if _server_alive(host, port, health_path): + return + time.sleep(0.2) + raise RuntimeError(f"Module server did not respond on port {port}") + + +def _terminate_all() -> None: + for p in _procs: + if p.poll() is None: + p.terminate() + for p in _procs: + try: + p.wait(timeout=3) + except subprocess.TimeoutExpired: + p.kill() + + +def start_module_servers(*, host: str = "127.0.0.1") -> None: + """Start M3–M5 HTTP backends if not already listening.""" + global _procs + if _procs: + return + + need: list[tuple[str, int, str]] = [] + for script, port, health_path in _MODULE_SCRIPTS: + if _server_alive(host, port, health_path): + continue + _kill_listeners(port) + time.sleep(0.3) + if _server_alive(host, port, health_path): + continue + need.append((script, port, health_path)) + + if not need: + return + + env = os.environ.copy() + env["MOLGATE_UI_HOME"] = str(UI_HOME) + popen_kw: dict = { + "cwd": str(UI_HOME), + "env": env, + "stdout": subprocess.DEVNULL, + "stderr": subprocess.PIPE, + } + if sys.platform == "win32": + popen_kw["creationflags"] = subprocess.CREATE_NO_WINDOW # type: ignore[attr-defined] + + for script, port, health_path in need: + path = _SERVERS / script + if not path.is_file(): + raise FileNotFoundError(f"Missing server script: {path}") + proc = subprocess.Popen([sys.executable, str(path)], **popen_kw) + _procs.append(proc) + time.sleep(0.3) + if proc.poll() is not None: + err = (proc.stderr.read() if proc.stderr else b"").decode("utf-8", errors="replace") + raise RuntimeError(f"{script} exited immediately:\n{err.strip()}") + + atexit.register(_terminate_all) + for _, port, health_path in need: + _wait_alive(host, port, health_path) diff --git a/molgate_ui/llm_http.py b/molgate_ui/llm_http.py new file mode 100644 index 0000000000000000000000000000000000000000..c28204e240558983317d2152ea45645652d38719 --- /dev/null +++ b/molgate_ui/llm_http.py @@ -0,0 +1,32 @@ +"""HTTP handler helpers for /api/llm/chat on module servers.""" + +from __future__ import annotations + +from typing import Any, Callable + +from molgate_ui.llm_proxy import llm_chat_json, llm_chat_stream, llm_public_config + + +def handle_llm_get_config(send_json: Callable[[int, Any], None]) -> None: + send_json(200, llm_public_config()) + + +def handle_llm_post( + payload: dict[str, Any], + send_json: Callable[[int, Any], None], + write_stream: Callable[[], None], +) -> None: + """write_stream: callback that writes SSE body using handler.wfile.""" + stream = bool(payload.get("stream", True)) + try: + if not stream: + code, body = llm_chat_json(payload) + send_json(code, body) + return + write_stream() + except ValueError as e: + send_json(400, {"ok": False, "error": str(e)}) + + +def iter_llm_sse(payload: dict[str, Any]): + return llm_chat_stream(payload) diff --git a/molgate_ui/llm_proxy.py b/molgate_ui/llm_proxy.py new file mode 100644 index 0000000000000000000000000000000000000000..931c56750cb3cb740b2e64da819665270f10caae --- /dev/null +++ b/molgate_ui/llm_proxy.py @@ -0,0 +1,223 @@ +""" +Unified LLM proxy — DeepSeek (default) replaces local Ollama for MolGate UI. + +Environment: + LLM_PROVIDER deepseek | ollama (default: deepseek) + DEEPSEEK_API_KEY required when provider=deepseek + DEEPSEEK_BASE_URL default https://api.deepseek.com + DEEPSEEK_MODEL default deepseek-chat + OLLAMA_HOST default http://127.0.0.1:11434 (fallback only) + OLLAMA_MODEL default gemma3 +""" + +from __future__ import annotations + +import json +import os +import urllib.error +import urllib.request +from typing import Any, Iterator + +from molgate_ui.ai_keys import AI_DISPLAY_NAME, AI_MODEL_LABEL, ensure_api_keys_loaded, get_deepseek_api_key + +DEFAULT_SYSTEM = ( + "你是 MolGate 分子 docking 工作流助手，具備醫藥研發與結構生物學背景。" + "請一律使用繁體中文（台灣）回答，結構清晰、邏輯嚴謹，避免臆測未提供的數據。" +) + + +def llm_public_config() -> dict[str, Any]: + provider = _provider() + ensure_api_keys_loaded() + return { + "ok": True, + "provider": provider, + "model": _default_model(provider), + "endpoint": "/api/llm/chat", + "display_name": AI_DISPLAY_NAME, + "model_label": AI_MODEL_LABEL, + "configured": bool(get_deepseek_api_key()) if provider == "deepseek" else True, + "ai_configured": bool(get_deepseek_api_key()) if provider == "deepseek" else True, + } + + +def _provider() -> str: + p = (os.environ.get("LLM_PROVIDER") or "deepseek").strip().lower() + return p if p in ("deepseek", "ollama") else "deepseek" + + +def _default_model(provider: str | None = None) -> str: + p = provider or _provider() + if p == "ollama": + return (os.environ.get("OLLAMA_MODEL") or "gemma3").strip() + return (os.environ.get("DEEPSEEK_MODEL") or "deepseek-chat").strip() + + +def _deepseek_base() -> str: + return (os.environ.get("DEEPSEEK_BASE_URL") or "https://api.deepseek.com").rstrip("/") + + +def _ollama_base() -> str: + return (os.environ.get("OLLAMA_HOST") or "http://127.0.0.1:11434").rstrip("/") + + +def _normalize_messages(payload: dict[str, Any]) -> list[dict[str, str]]: + messages = payload.get("messages") + if not isinstance(messages, list) or not messages: + raise ValueError("messages 必須為非空陣列") + out: list[dict[str, str]] = [] + for m in messages: + if not isinstance(m, dict): + continue + role = str(m.get("role") or "user").strip() + content = str(m.get("content") or "").strip() + if content: + out.append({"role": role, "content": content}) + if not out: + raise ValueError("messages 必須為非空陣列") + if out[0]["role"] != "system": + system = str(payload.get("system") or DEFAULT_SYSTEM).strip() + out.insert(0, {"role": "system", "content": system}) + return out + + +def llm_chat_json(payload: dict[str, Any]) -> tuple[int, dict[str, Any]]: + provider = _provider() + messages = _normalize_messages(payload) + model = (payload.get("model") or _default_model(provider)).strip() + if provider == "deepseek": + return _deepseek_json(model, messages) + return _ollama_json(model, messages, payload) + + +def llm_chat_stream(payload: dict[str, Any]) -> Iterator[bytes]: + provider = _provider() + messages = _normalize_messages(payload) + model = (payload.get("model") or _default_model(provider)).strip() + if provider == "deepseek": + yield from _deepseek_stream(model, messages) + else: + yield from _ollama_stream(model, messages, payload) + + +def _deepseek_json(model: str, messages: list[dict[str, str]]) -> tuple[int, dict[str, Any]]: + key = get_deepseek_api_key() + if not key: + return 503, {"ok": False, "error": "AI 服務未設定，請確認金鑰已寫入 deepseek_tg.py 後重啟 server"} + body = json.dumps({"model": model, "messages": messages, "stream": False}, ensure_ascii=False).encode( + "utf-8" + ) + req = urllib.request.Request( + f"{_deepseek_base()}/chat/completions", + data=body, + method="POST", + headers={ + "Content-Type": "application/json; charset=utf-8", + "Authorization": f"Bearer {key}", + }, + ) + try: + with urllib.request.urlopen(req, timeout=600) as resp: + raw = json.loads(resp.read().decode("utf-8")) + text = "" + choices = raw.get("choices") or [] + if choices: + text = (choices[0].get("message") or {}).get("content") or "" + return 200, {"ok": True, "message": {"role": "assistant", "content": text}, "model": model} + except urllib.error.HTTPError as e: + err = e.read().decode("utf-8", errors="replace") + return 502, {"ok": False, "error": f"AI 服務 HTTP {e.code}: {err}"} + except Exception as e: + return 502, {"ok": False, "error": str(e)} + + +def _deepseek_stream(model: str, messages: list[dict[str, str]]) -> Iterator[bytes]: + key = get_deepseek_api_key() + if not key: + err = json.dumps({"error": "AI 服務未設定"}, ensure_ascii=False).encode("utf-8") + yield b"data: " + err + b"\n\n" + return + body = json.dumps({"model": model, "messages": messages, "stream": True}, ensure_ascii=False).encode("utf-8") + req = urllib.request.Request( + f"{_deepseek_base()}/chat/completions", + data=body, + method="POST", + headers={ + "Content-Type": "application/json; charset=utf-8", + "Authorization": f"Bearer {key}", + }, + ) + try: + with urllib.request.urlopen(req, timeout=600) as resp: + for raw_line in resp: + line = raw_line.decode("utf-8", errors="replace").strip() + if not line or not line.startswith("data:"): + continue + data = line[5:].strip() + if data == "[DONE]": + break + try: + obj = json.loads(data) + except json.JSONDecodeError: + continue + choices = obj.get("choices") or [] + if not choices: + continue + piece = (choices[0].get("delta") or {}).get("content") or "" + if not piece: + continue + chunk = json.dumps({"message": {"content": piece}}, ensure_ascii=False).encode("utf-8") + yield b"data: " + chunk + b"\n\n" + except Exception as e: + err = json.dumps({"error": str(e)}, ensure_ascii=False).encode("utf-8") + yield b"data: " + err + b"\n\n" + + +def _ollama_json( + model: str, messages: list[dict[str, str]], payload: dict[str, Any] +) -> tuple[int, dict[str, Any]]: + body_obj: dict[str, Any] = {"model": model, "messages": messages, "stream": False} + if isinstance(payload.get("options"), dict): + body_obj["options"] = payload["options"] + body = json.dumps(body_obj, ensure_ascii=False).encode("utf-8") + req = urllib.request.Request( + f"{_ollama_base()}/api/chat", + data=body, + method="POST", + headers={"Content-Type": "application/json; charset=utf-8"}, + ) + try: + with urllib.request.urlopen(req, timeout=600) as resp: + return 200, json.loads(resp.read().decode("utf-8")) + except urllib.error.HTTPError as e: + err = e.read().decode("utf-8", errors="replace") + return 502, {"ok": False, "error": f"ollama HTTP {e.code}: {err}"} + except Exception as e: + return 502, {"ok": False, "error": str(e)} + + +def _ollama_stream( + model: str, messages: list[dict[str, str]], payload: dict[str, Any] +) -> Iterator[bytes]: + body_obj: dict[str, Any] = {"model": model, "messages": messages, "stream": True} + if isinstance(payload.get("options"), dict): + body_obj["options"] = payload["options"] + body = json.dumps(body_obj, ensure_ascii=False).encode("utf-8") + req = urllib.request.Request( + f"{_ollama_base()}/api/chat", + data=body, + method="POST", + headers={"Content-Type": "application/json; charset=utf-8"}, + ) + try: + with urllib.request.urlopen(req, timeout=600) as resp: + while True: + line = resp.readline() + if not line: + break + line = line.strip() + if line: + yield b"data: " + line + b"\n\n" + except Exception as e: + err = json.dumps({"error": str(e)}, ensure_ascii=False).encode("utf-8") + yield b"data: " + err + b"\n\n" diff --git a/molgate_ui/paths.py b/molgate_ui/paths.py new file mode 100644 index 0000000000000000000000000000000000000000..e015f54b7eea4e915ac9b64c9584cc6032bd8ea7 --- /dev/null +++ b/molgate_ui/paths.py @@ -0,0 +1,225 @@ +""" +MolGate UI package paths — single source of truth. +All servers and scripts import from here; no external repo paths. +""" + +from __future__ import annotations + +import json +import os +from pathlib import Path + +UI_HOME = Path(os.environ.get("MOLGATE_UI_HOME", Path(__file__).resolve().parents[1])).resolve() + +ENGINES = UI_HOME / "engines" +CONFIG = UI_HOME / "config" +DATA = UI_HOME / "data" +SESSIONS = DATA / "sessions" +PDB_DIR = DATA / "pdb" +EXAMPLES = DATA / "examples" +TOOLS = UI_HOME / "tools" +VINA_BIN = TOOLS / "vina" / "vina.exe" + +MASTER_INDEX = CONFIG / "master_index.json" +PIPELINE_JSON = CONFIG / "pipeline.json" +UI_PORTS_JSON = CONFIG / "ui_ports.json" + +UI_DIR = UI_HOME / "ui" +UI_ASSETS = UI_DIR / "assets" +ROOT_INDEX = UI_HOME / "index.html" +UI_INDEX = ROOT_INDEX if ROOT_INDEX.is_file() else UI_DIR / "index.html" +UI_CREADRUG = UI_DIR / "creadrug" / "index.html" + + +def creadrug24_root() -> Path: + """CreaDrug24 bundle root (showboard + input/cases).""" + raw = os.environ.get("CREADRUG_ROOT", "").strip() + if raw: + return Path(raw).resolve() + bundled = UI_HOME / "CreaDrug24" + if bundled.is_dir(): + return bundled + for sibling in ( + UI_HOME.parent / "CreaDrug24", + UI_HOME.parent / "MolGate" / "CreaDrug24", + UI_HOME.parent / "stromapath" / "CreaDrug24", + ): + if sibling.is_dir(): + return sibling.resolve() + return bundled + + +CREADRUG24_ROOT = creadrug24_root() +CREADRUG_SHOWBOARD = CREADRUG24_ROOT / "creadrug_showboard_24.html" + + +def creadrug_base_url() -> str: + return (os.environ.get("CREADRUG_URL") or "/creadrug24/creadrug_showboard_24.html").strip() + + +def creadrug_open_url( + session_id: str = "", + target: str = "", + view: str = "", + case_id: str = "", + api_base: str = "", +) -> str: + import urllib.parse + + base = creadrug_base_url() + params: dict[str, str] = {"src": "molgate"} + if case_id: + params["case"] = case_id.strip() + if session_id: + params["session"] = session_id.strip() + if target: + params["target"] = target.strip() + if view: + params["view"] = view.strip() + api = (api_base or os.environ.get("MOLGATE_PUBLIC_API") or "").strip().rstrip("/") + if api: + params["api"] = api + sep = "&" if "?" in base else "?" + return f"{base}{sep}{urllib.parse.urlencode(params)}" +UI_REASONMIND = UI_DIR / "reasonmind" / "index.html" + +UI_M1_PANEL = UI_DIR / "modules" / "m1" / "module1_panel.html" +UI_M2_PANEL = UI_DIR / "modules" / "m2" / "module2_panel.html" +UI_M3_PANEL = UI_DIR / "modules" / "m3" / "module3_panel.html" +UI_M4_PANEL = UI_DIR / "modules" / "m4" / "module4_panel.html" +UI_M5_PANEL = UI_DIR / "modules" / "m5" / "module5_panel.html" + +SERVERS_DIR = UI_HOME / "servers" +MOLGATE_JS = UI_ASSETS / "molgate.js" +MOLGATE_CSS = UI_ASSETS / "molgate.css" + +MODULE1_SCRIPT = ENGINES / "molgate_module1_patched.py" +if not MODULE1_SCRIPT.is_file(): + MODULE1_SCRIPT = ENGINES / "molgate_module1.py" + +MODULE2_ENGINE_B = ENGINES / "molgate_module2_engineB.py" +MODULE2_ENGINE_C = ENGINES / "molgate_module2_engineC.py" + +# Engines default to engines/master_index.json — keep in sync on bootstrap +ENGINES_MASTER_INDEX = ENGINES / "master_index.json" +# Legacy — do not use; see molgate_ui/contracts/STORAGE.md +ENGINES_SESSIONS = ENGINES / "molgate_sessions" + +DEFAULT_GATEWAY_PORT = 8780 + + +def gateway_port() -> int: + """Single entry HTTP port (default 8780; HF/cloud may set PORT=7860).""" + for key in ("MOLGATE_GATEWAY_PORT", "PORT"): + raw = os.environ.get(key, "").strip() + if raw: + return int(raw) + if UI_PORTS_JSON.is_file(): + try: + data = json.loads(UI_PORTS_JSON.read_text(encoding="utf-8")) + return int(data.get("gateway", DEFAULT_GATEWAY_PORT)) + except (json.JSONDecodeError, TypeError, ValueError): + pass + return DEFAULT_GATEWAY_PORT + + +def resolve_vina_bin(explicit: str = "") -> str | None: + """Locate AutoDock Vina executable (bundled tools/vina or legacy MolGate paths).""" + if explicit: + p = Path(explicit).expanduser() + if p.is_file(): + return str(p.resolve()) + env = os.environ.get("MOLGATE_VINA_BIN", "").strip() + if env: + p = Path(env).expanduser() + if p.is_file(): + return str(p.resolve()) + candidates = [ + VINA_BIN, + UI_HOME / "tool" / "vina" / "vina.exe", + UI_HOME / "tools" / "vina" / "vina.exe", + Path("/usr/bin/vina"), + Path("/usr/local/bin/vina"), + UI_HOME.parent / "MolGate" / "tool" / "vina" / "vina.exe", + ENGINES / "tool" / "vina" / "vina.exe", + ] + seen: set[str] = set() + for cand in candidates: + key = str(cand) + if key in seen: + continue + seen.add(key) + if cand.is_file(): + return str(cand.resolve()) + return None + + +def module_ports() -> dict[str, int]: + defaults = {"module3": 8765, "module4": 8766, "module5": 8767} + if UI_PORTS_JSON.is_file(): + try: + data = json.loads(UI_PORTS_JSON.read_text(encoding="utf-8")) + for k in defaults: + if k in data: + defaults[k] = int(data[k]) + except (json.JSONDecodeError, TypeError, ValueError): + pass + return defaults + + +def read_static_asset(url_path: str) -> tuple[bytes, str] | None: + """Serve /molgate_ui_shared.js and /assets/* from ui/assets/.""" + if url_path == "/molgate_ui_shared.js" and MOLGATE_JS.is_file(): + return MOLGATE_JS.read_bytes(), "application/javascript; charset=utf-8" + if url_path.startswith("/assets/"): + rel = url_path[len("/assets/") :].replace("\\", "/").lstrip("/") + if not rel or ".." in rel.split("/"): + return None + fp = (UI_ASSETS / rel).resolve() + try: + fp.relative_to(UI_ASSETS.resolve()) + except ValueError: + return None + if not fp.is_file(): + return None + ctype = "application/octet-stream" + if fp.suffix == ".js": + ctype = "application/javascript; charset=utf-8" + elif fp.suffix == ".css": + ctype = "text/css; charset=utf-8" + return fp.read_bytes(), ctype + return None + + +def ensure_runtime_dirs() -> None: + SESSIONS.mkdir(parents=True, exist_ok=True) + PDB_DIR.mkdir(parents=True, exist_ok=True) + EXAMPLES.mkdir(parents=True, exist_ok=True) + UI_ASSETS.mkdir(parents=True, exist_ok=True) + + +def load_env_file() -> None: + """Load config/.env or .env into os.environ (does not override existing vars).""" + for p in (UI_HOME / "config" / ".env", UI_HOME / ".env"): + if not p.is_file(): + continue + for line in p.read_text(encoding="utf-8").splitlines(): + line = line.strip() + if not line or line.startswith("#") or "=" not in line: + continue + key, val = line.split("=", 1) + key = key.strip() + val = val.strip().strip('"').strip("'") + if key and val and key not in os.environ: + os.environ[key] = val + break + load_deepseek_tg_inline_keys() + + +def load_deepseek_tg_inline_keys() -> None: + """Load keys from deepseek_tg.py into os.environ.""" + from molgate_ui.ai_keys import read_inline_deepseek_key + + key = read_inline_deepseek_key() + if key: + os.environ["DEEPSEEK_API_KEY"] = key diff --git a/molgate_ui/pipeline_runner.py b/molgate_ui/pipeline_runner.py new file mode 100644 index 0000000000000000000000000000000000000000..3a6e41dd6a8ca84c1d670cee41e64dc4e0b30fc3 --- /dev/null +++ b/molgate_ui/pipeline_runner.py @@ -0,0 +1,365 @@ +""" +MolGate full pipeline — chain all engines M1→M5 in one session. + +Used by gateway `/api/pipeline/run` (SSE). Each step is a subprocess; +outputs stream as log lines; failure stops the chain. +""" + +from __future__ import annotations + +import json +import shutil +import subprocess +import sys +from collections.abc import Iterator +from dataclasses import dataclass, field +from pathlib import Path +from typing import Any + +from molgate_ui.console_utf8 import subprocess_env +from molgate_ui.paths import ( + ENGINES, + MASTER_INDEX, + MODULE1_SCRIPT, + MODULE2_ENGINE_B, + MODULE2_ENGINE_C, + PIPELINE_JSON, + SESSIONS, + UI_HOME, + VINA_BIN, +) + +PYTHON = sys.executable + + +@dataclass +class PipelineParams: + smiles: str + pdb_id: str + target: str + session_id: str + drug_label: str = "" + allow_network: bool = False + non_interactive: bool = True + from_module: int = 1 + vina_bin: str = "" + ligand_engine: str = "meeko" + receptor_engine: str = "auto" + + +def _stage15_user_confirmed(sd: Path) -> bool: + path = sd / "_ui_stage15_confirmed.json" + if not path.is_file(): + return False + try: + data = json.loads(path.read_text(encoding="utf-8")) + return bool(data.get("confirmed")) + except (json.JSONDecodeError, OSError): + return False + + +def _m3b_needs_confirm(sd: Path, target: str) -> bool: + try: + sys.path.insert(0, str(ENGINES)) + from molgate_module3_engineB import detect_stage15_from_session + + return bool(detect_stage15_from_session(sd, target).get("needs_confirm")) + except Exception: + return False + finally: + if str(ENGINES) in sys.path: + sys.path.remove(str(ENGINES)) + + +@dataclass(frozen=True) +class PipelineStep: + module: int + engine_id: str + label_zh: str + label_en: str + + +PIPELINE_STEPS: tuple[PipelineStep, ...] = ( + PipelineStep(1, "m1", "Module 1 — 輸入驗證", "Module 1 — Input Validation"), + PipelineStep(2, "m2b", "Module 2 Engine B — 質子化 / 互變異構", "Module 2 Engine B — Protonation / Tautomers"), + PipelineStep(2, "m2c", "Module 2 Engine C — Ligand PDBQT", "Module 2 Engine C — Ligand PDBQT"), + PipelineStep(3, "m3a", "Module 3 Engine A — PDB 清理", "Module 3 Engine A — PDB Cleanup"), + PipelineStep(3, "m3b", "Module 3 Engine B — Prep 決策", "Module 3 Engine B — Prep Decisions"), + PipelineStep(3, "m3c", "Module 3 Engine C — Receptor PDBQT", "Module 3 Engine C — Receptor PDBQT"), + PipelineStep(4, "m4a", "Module 4 Engine A — HETATM 掃描", "Module 4 Engine A — HETATM Scan"), + PipelineStep(4, "m4b", "Module 4 Engine B — 配體確認", "Module 4 Engine B — Ligand Confirm"), + PipelineStep(4, "m4c", "Module 4 Engine C — 口袋中心", "Module 4 Engine C — Pocket Center"), + PipelineStep(5, "m5a", "Module 5 Engine A — Vina Docking", "Module 5 Engine A — Vina Docking"), + PipelineStep(5, "m5b", "Module 5 Engine B — QC 審核", "Module 5 Engine B — QC Review"), +) + + +def load_pipeline_meta() -> dict[str, Any]: + if PIPELINE_JSON.is_file(): + try: + return json.loads(PIPELINE_JSON.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + pass + return {"modules": [], "steps": [s.__dict__ for s in PIPELINE_STEPS]} + + +def _run_env() -> dict[str, str]: + env = subprocess_env() + env["MOLGATE_UI_HOME"] = str(UI_HOME) + env["MOLGATE_SESSIONS"] = str(SESSIONS) + return env + + +def _resolve_vina(vina_bin: str) -> str | None: + if vina_bin and Path(vina_bin).is_file(): + return vina_bin + if VINA_BIN.is_file(): + return str(VINA_BIN) + for cand in ( + UI_HOME / "tool" / "vina" / "vina.exe", + ENGINES / "tool" / "vina" / "vina.exe", + ): + if cand.is_file(): + return str(cand) + return None + + +def build_command(step: PipelineStep, params: PipelineParams, sd: Path) -> list[str]: + target = params.target.strip() + sd_str = str(sd.resolve()) + + if step.engine_id == "m1": + cmd = [ + PYTHON, + str(MODULE1_SCRIPT), + "--smiles", + params.smiles, + "--target", + target, + "--pdb-id", + params.pdb_id.upper(), + "--session-id", + params.session_id, + "--index", + str(MASTER_INDEX), + ] + if params.drug_label: + cmd += ["--drug-label", params.drug_label] + if params.allow_network: + cmd.append("--allow-network") + return cmd + + if step.engine_id == "m2b": + return [ + PYTHON, + str(MODULE2_ENGINE_B), + "--session-dir", + sd_str, + "--target", + target, + ] + + if step.engine_id == "m2c": + return [ + PYTHON, + str(MODULE2_ENGINE_C), + "--session-dir", + sd_str, + "--target", + target, + "--engine", + params.ligand_engine, + ] + + eng_scripts = { + "m3a": "molgate_module3_engineA.py", + "m3b": "molgate_module3_engineB.py", + "m3c": "molgate_module3_engineC.py", + "m4a": "molgate_module4_engineA.py", + "m4b": "molgate_module4_engineB.py", + "m4c": "molgate_module4_engineC.py", + "m5a": "molgate_module5_engineA.py", + "m5b": "molgate_module5_engineB.py", + } + script = ENGINES / eng_scripts[step.engine_id] + cmd = [PYTHON, str(script), "--session-dir", sd_str] + + if step.engine_id in ("m3a", "m3b", "m3c", "m4a", "m4b", "m4c", "m5a"): + cmd += ["--target", target] + + if step.engine_id == "m3b": + cmd += ["--non-interactive"] + keep_path = sd / "_ui_stage15_keep.json" + if keep_path.is_file(): + cmd += ["--het-keep-json", str(keep_path)] + return cmd + + if step.engine_id == "m3c": + cmd += ["--engine", params.receptor_engine] + + if step.engine_id in ("m4b", "m4c") and params.non_interactive: + cmd.append("--non-interactive") + + if step.engine_id == "m4a": + cmd += ["--index", str(MASTER_INDEX)] + + if step.engine_id == "m5a": + vina = _resolve_vina(params.vina_bin) + if vina: + cmd += ["--vina-bin", vina] + + if step.engine_id == "m5b" and params.non_interactive: + cmd += ["--decision", "ACCEPT"] + + return cmd + + +def _step_cwd(step: PipelineStep) -> Path: + return SESSIONS.parent if step.engine_id == "m1" else ENGINES + + +def _should_run_step(step: PipelineStep, from_module: int) -> bool: + return step.module >= from_module + + +def _effective_pdb_from_session(sd: Path, fallback_pdb_id: str) -> str: + for name in ("session_index.json", "route_resolution.json"): + p = sd / name + if not p.is_file(): + continue + try: + data = json.loads(p.read_text(encoding="utf-8")) + if name == "route_resolution.json": + data = data.get("effective_entry") or data + pid = str(data.get("pdb_id") or "").strip().upper() + if pid: + return pid + except (json.JSONDecodeError, OSError): + pass + return fallback_pdb_id.strip().upper() + + +def _ensure_session_route(sd: Path, pdb_dir: Path) -> None: + """Resolve anchor route before pipeline if session_index exists.""" + idx_path = sd / "session_index.json" + if not idx_path.is_file() or (sd / "route_resolution.json").is_file(): + return + try: + from molgate_ui.anchor_routing import ( + apply_resolution_to_session_index, + resolve_anchor_route, + write_route_resolution, + ) + + entry = json.loads(idx_path.read_text(encoding="utf-8")) + resolution = resolve_anchor_route(entry, pdb_dir) + write_route_resolution(sd, resolution) + apply_resolution_to_session_index(sd, resolution) + except Exception: + pass + + +def copy_local_pdb(pdb_id: str, sd: Path, pdb_dir: Path) -> None: + pid = pdb_id.upper() + for fname in (f"{pid}.pdb", f"{pid.lower()}.pdb"): + src = pdb_dir / fname + if src.is_file(): + dest = sd / "pdb" + dest.mkdir(exist_ok=True) + shutil.copy2(src, dest / f"{pid}.pdb") + return + + +def iter_pipeline_run( + params: PipelineParams, + *, + pdb_dir: Path | None = None, +) -> Iterator[dict[str, Any]]: + """Yield SSE-friendly event dicts.""" + sd = SESSIONS / params.session_id + if not sd.is_dir(): + yield {"error": f"session not found: {params.session_id}"} + return + + if pdb_dir and params.from_module <= 1: + _ensure_session_route(sd, pdb_dir) + eff_pdb = _effective_pdb_from_session(sd, params.pdb_id) + copy_local_pdb(eff_pdb, sd, pdb_dir) + + total = sum(1 for s in PIPELINE_STEPS if _should_run_step(s, params.from_module)) + done = 0 + + for step in PIPELINE_STEPS: + if not _should_run_step(step, params.from_module): + continue + + done += 1 + yield { + "phase": "start", + "module": step.module, + "engine": step.engine_id, + "label_zh": step.label_zh, + "label_en": step.label_en, + "step_index": done, + "step_total": total, + } + + if step.engine_id == "m3b" and _m3b_needs_confirm(sd, params.target.strip()): + if not _stage15_user_confirmed(sd): + msg = ( + "Stage 15 偵測到輔因子／金屬候選。" + "請先在 Module 3 UI 逐項勾選並確認決策（系統不會自動決定），" + "再繼續 Pipeline。" + ) + yield {"log": f"❌ {msg}"} + yield { + "status": "error", + "session_id": params.session_id, + "failed_at": step.engine_id, + "failed_module": step.module, + "returncode": 1, + "message": msg, + } + return + + cmd = build_command(step, params, sd) + proc = subprocess.Popen( + cmd, + stdout=subprocess.PIPE, + stderr=subprocess.STDOUT, + text=True, + encoding="utf-8", + errors="replace", + cwd=str(_step_cwd(step)), + env=_run_env(), + ) + assert proc.stdout is not None + for line in proc.stdout: + yield {"log": line.rstrip()} + proc.wait() + + rc = proc.returncode or 0 + yield { + "phase": "end", + "module": step.module, + "engine": step.engine_id, + "returncode": rc, + "ok": rc == 0, + } + if rc != 0: + yield { + "status": "error", + "session_id": params.session_id, + "failed_at": step.engine_id, + "failed_module": step.module, + "returncode": rc, + } + return + + final = sd / "final_report.json" + yield { + "status": "complete", + "session_id": params.session_id, + "pipeline_complete": final.is_file(), + "final_report": json.loads(final.read_text(encoding="utf-8")) if final.is_file() else None, + } diff --git a/molgate_ui/protein_families.py b/molgate_ui/protein_families.py new file mode 100644 index 0000000000000000000000000000000000000000..9a569b79c018fea79d1cca9ac3aee2bb10eafc2b --- /dev/null +++ b/molgate_ui/protein_families.py @@ -0,0 +1,401 @@ +""" +MolGate — 蛋白質家族預設清單（Module 1 UI / M3 prep / M4 box padding）。 +""" + +from __future__ import annotations + +from typing import Any + +# default_box_padding: None → 使用 M4 全域預設 10 Å +# stage17_hitl: True → M3 Engine B Stage 17 需人工確認 override +PROTEIN_FAMILIES: list[dict[str, Any]] = [ + # ── 酶類 ── + { + "id": "kinase", + "group": "enzyme", + "label_zh": "激酶 (kinase)", + "label_en": "Kinase", + "prep_profile_zh": "確認 DFG-in/out 構型；注意 Mg²⁺/Mn²⁺ 等激酶輔因子", + "prep_profile_en": "Check DFG-in/out; watch kinase cofactors (Mg²⁺/Mn²⁺)", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "protease", + "group": "enzyme", + "label_zh": "蛋白酶 (protease)", + "label_en": "Protease", + "prep_profile_zh": "確認催化三聯體/二聯體 His·Asp·Ser 或 Cys 質子化態", + "prep_profile_en": "Check catalytic triad/dyad protonation (His·Asp·Ser/Cys)", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "serine_protease", + "group": "enzyme", + "label_zh": "絲氨酸蛋白酶", + "label_en": "Serine protease", + "prep_profile_zh": "凝血/絲氨酸蛋白酶：催化 His57·Asp102·Ser195 與配體佔據模式", + "prep_profile_en": "Serine proteases: catalytic triad and ligand occupancy", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "phosphodiesterase", + "group": "enzyme", + "label_zh": "磷酸二酯酶 (PDE)", + "label_en": "Phosphodiesterase (PDE)", + "prep_profile_zh": "PDE 金屬輔因子（Zn²⁺）與疏水口袋；注意 cGMP/cAMP 模擬物", + "prep_profile_en": "PDE Zn²⁺ cofactor and hydrophobic pocket", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "cytochrome_p450", + "group": "enzyme", + "label_zh": "細胞色素 P450", + "label_en": "Cytochrome P450", + "prep_profile_zh": "血紅素鐵與配位水；底物通道與 heme propionate 區域", + "prep_profile_en": "Heme iron, axial water, substrate access channel", + "stage17_hitl": True, + "default_box_padding": None, + }, + { + "id": "metalloenzyme", + "group": "enzyme", + "label_zh": "金屬酶 (metalloenzyme)", + "label_en": "Metalloenzyme", + "prep_profile_zh": "保留/確認活性位金屬（Zn/Mg/Fe 等）；Stage 15 常需逐項決定", + "prep_profile_en": "Confirm active-site metals; Stage 15 often needs review", + "stage17_hitl": True, + "default_box_padding": None, + }, + { + "id": "hydrolase", + "group": "enzyme", + "label_zh": "水解酶 (hydrolase)", + "label_en": "Hydrolase", + "prep_profile_zh": "標準準備；注意核苷酸/輔酶 HETATM", + "prep_profile_en": "Standard prep; check nucleotide/cofactor HETATMs", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "oxidoreductase", + "group": "enzyme", + "label_zh": "氧化還原酶", + "label_en": "Oxidoreductase", + "prep_profile_zh": "輔因子 NAD(P)/FAD/heme；確認氧化還原態", + "prep_profile_en": "Cofactors NAD(P)/FAD/heme; redox state", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "reductase", + "group": "enzyme", + "label_zh": "還原酶 (reductase)", + "label_en": "Reductase", + "prep_profile_zh": "同氧化還原酶；注意輔酶佔據", + "prep_profile_en": "Like oxidoreductase; cofactor occupancy", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "transferase", + "group": "enzyme", + "label_zh": "轉移酶 (transferase)", + "label_en": "Transferase", + "prep_profile_zh": "SAM/輔酶 A 等供體分子；金屬依賴轉移酶注意 Stage 15", + "prep_profile_en": "SAM/CoA donors; metal-dependent transferases", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "lyase", + "group": "enzyme", + "label_zh": "裂合酶 (lyase)", + "label_en": "Lyase", + "prep_profile_zh": "標準準備；確認輔因子與 Schiff base 等共價中間體", + "prep_profile_en": "Standard prep; cofactors and covalent intermediates", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "isomerase", + "group": "enzyme", + "label_zh": "異構酶 (isomerase)", + "label_en": "Isomerase", + "prep_profile_zh": "標準準備；注意金屬或輔酶依賴異構化位點", + "prep_profile_en": "Standard prep; metal/cofactor at isomerization site", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "cyclooxygenase", + "group": "enzyme", + "label_zh": "環加氧酶 (COX)", + "label_en": "Cyclooxygenase (COX)", + "prep_profile_zh": "標準準備；COX-1/2 血紅素與疏水通道", + "prep_profile_en": "Standard prep; heme and hydrophobic channel (COX)", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "histone_deacetylase", + "group": "enzyme", + "label_zh": "組蛋白去乙醯化酶 (HDAC)", + "label_en": "Histone deacetylase (HDAC)", + "prep_profile_zh": "Zn²⁺ 依賴活性位；長鏈疏水口袋", + "prep_profile_en": "Zn²⁺ active site; long hydrophobic pocket", + "stage17_hitl": True, + "default_box_padding": None, + }, + { + "id": "topoisomerase", + "group": "enzyme", + "label_zh": "拓撲異構酶", + "label_en": "Topoisomerase", + "prep_profile_zh": "DNA 結合界面；注意 Mg²⁺ 與 DNA 鏈是否保留", + "prep_profile_en": "DNA-binding interface; Mg²⁺ and DNA retention", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "hsp90", + "group": "enzyme", + "label_zh": "熱休克蛋白 HSP90", + "label_en": "HSP90", + "prep_profile_zh": "ATP 結合口袋；N/MD/C 域界面", + "prep_profile_en": "ATP pocket; N/MD/C domain interfaces", + "stage17_hitl": False, + "default_box_padding": None, + }, + # ── 受體 / 膜蛋白 ── + { + "id": "GPCR", + "group": "receptor", + "label_zh": "G 蛋白偶聯受體 (GPCR)", + "label_en": "GPCR", + "prep_profile_zh": "Asp3.32 鹽橋區域；移除 nanobody/Fab 污染鏈", + "prep_profile_en": "Asp3.32 region; remove nanobody/Fab chains", + "stage17_hitl": True, + "default_box_padding": 12.0, + }, + { + "id": "nuclear_receptor", + "group": "receptor", + "label_zh": "核受體", + "label_en": "Nuclear receptor", + "prep_profile_zh": "配體結合域 His 質子化；共調節肽鏈移除", + "prep_profile_en": "LBD His protonation; remove co-regulator peptides", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "ion_channel", + "group": "receptor", + "label_zh": "離子通道", + "label_en": "Ion channel", + "prep_profile_zh": "跨膜域；注意調節亞基與配體門控位點", + "prep_profile_en": "Transmembrane domain; regulatory subunits", + "stage17_hitl": False, + "default_box_padding": 12.0, + }, + { + "id": "transporter", + "group": "receptor", + "label_zh": "轉運蛋白", + "label_en": "Transporter", + "prep_profile_zh": "底物/抑制劑結合腔；注意脂質與去垢劑分子", + "prep_profile_en": "Substrate/inhibitor cavity; lipids/detergents", + "stage17_hitl": False, + "default_box_padding": 12.0, + }, + # ── 細胞骨架 ── + { + "id": "tubulin", + "group": "cytoskeleton", + "label_zh": "微管蛋白 (tubulin)", + "label_en": "Tubulin", + "prep_profile_zh": "GTP/GDP·Mg²⁺ 核苷酸位；colchicine/紫杉醇結合口袋；Stage 15 常需處理 GTP/MG", + "prep_profile_en": "GTP/GDP·Mg²⁺ site; colchicine/taxane pocket; Stage 15 GTP/MG", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "cytoskeleton", + "group": "cytoskeleton", + "label_zh": "細胞骨架（其他）", + "label_en": "Cytoskeleton (other)", + "prep_profile_zh": "肌動蛋白/中間絲等；注意核苷酸與輔因子", + "prep_profile_en": "Actin/filaments; nucleotides and cofactors", + "stage17_hitl": False, + "default_box_padding": None, + }, + # ── 表觀遺傳 ── + { + "id": "bromodomain", + "group": "epigenetic", + "label_zh": "溴結構域 (bromodomain)", + "label_en": "Bromodomain", + "prep_profile_zh": "乙醯賴氨酸結合口袋；通常無金屬輔因子", + "prep_profile_en": "Acetyl-lysine pocket; usually no metals", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "epigenetic_reader", + "group": "epigenetic", + "label_zh": "表觀遺傳閱讀結構域", + "label_en": "Epigenetic reader", + "prep_profile_zh": "甲基化/乙醯化識別口袋；注意肽段配體是否保留", + "prep_profile_en": "Methyl/acetyl readout; peptide ligand retention", + "stage17_hitl": False, + "default_box_padding": None, + }, + { + "id": "methyltransferase", + "group": "epigenetic", + "label_zh": "甲基轉移酶", + "label_en": "Methyltransferase", + "prep_profile_zh": "SAM 結合溝；產物 SAH 是否移除", + "prep_profile_en": "SAM groove; remove product SAH if present", + "stage17_hitl": False, + "default_box_padding": None, + }, + # ── 其他 ── + { + "id": "other", + "group": "other", + "label_zh": "其他 / 未分類", + "label_en": "Other / unclassified", + "prep_profile_zh": "標準準備流程", + "prep_profile_en": "Standard preparation workflow", + "stage17_hitl": False, + "default_box_padding": None, + }, +] + +_FAMILY_BY_ID: dict[str, dict[str, Any]] = {f["id"]: f for f in PROTEIN_FAMILIES} + +_GROUP_LABELS: dict[str, dict[str, str]] = { + "enzyme": {"zh": "酶類", "en": "Enzymes"}, + "receptor": {"zh": "受體 / 膜蛋白", "en": "Receptors / membrane"}, + "cytoskeleton": {"zh": "細胞骨架", "en": "Cytoskeleton"}, + "epigenetic": {"zh": "表觀遺傳", "en": "Epigenetic"}, + "other": {"zh": "其他", "en": "Other"}, +} + +_DEFAULT_PREP_ZH = "標準準備流程" +_DEFAULT_PREP_EN = "Standard preparation workflow" + + +def list_protein_families(*, lang: str = "zh") -> list[dict[str, Any]]: + """Flat list for API / validation.""" + zh = lang.startswith("zh") + out: list[dict[str, Any]] = [] + for f in PROTEIN_FAMILIES: + lid = f["id"] + out.append( + { + "id": lid, + "group": f.get("group", "other"), + "group_label": _GROUP_LABELS.get(f.get("group", "other"), {}).get( + "zh" if zh else "en", f.get("group", "other") + ), + "label": f.get("label_zh" if zh else "label_en", lid), + "prep_profile": f.get( + "prep_profile_zh" if zh else "prep_profile_en", "" + ), + "stage17_hitl": bool(f.get("stage17_hitl")), + "default_box_padding": f.get("default_box_padding"), + } + ) + return out + + +def list_protein_families_grouped(*, lang: str = "zh") -> list[dict[str, Any]]: + """Grouped list for UI .""" + zh = lang.startswith("zh") + groups: dict[str, list[dict[str, Any]]] = {} + order: list[str] = [] + for f in PROTEIN_FAMILIES: + g = str(f.get("group") or "other") + if g not in groups: + groups[g] = [] + order.append(g) + groups[g].append( + { + "id": f["id"], + "label": f.get("label_zh" if zh else "label_en", f["id"]), + } + ) + return [ + { + "group": g, + "label": _GROUP_LABELS.get(g, {}).get("zh" if zh else "en", g), + "families": groups[g], + } + for g in order + ] + + +def get_protein_family(family_id: str | None) -> dict[str, Any] | None: + if not family_id: + return None + key = str(family_id).strip() + if key in _FAMILY_BY_ID: + return _FAMILY_BY_ID[key] + for fid, rec in _FAMILY_BY_ID.items(): + if fid.lower() == key.lower(): + return rec + if key.lower() == "nuclear_rec": + return _FAMILY_BY_ID.get("nuclear_receptor") + return None + + +def prep_profile_for_family(family_id: str | None, *, lang: str = "zh") -> str: + rec = get_protein_family(family_id) + if not rec: + return _DEFAULT_PREP_ZH if lang.startswith("zh") else _DEFAULT_PREP_EN + return str( + rec.get("prep_profile_zh" if lang.startswith("zh") else "prep_profile_en") + or (_DEFAULT_PREP_ZH if lang.startswith("zh") else _DEFAULT_PREP_EN) + ) + + +def family_needs_stage17_hitl(entry: dict[str, Any]) -> bool: + """M3 Engine B Stage 17：GPCR / 金屬酶等需人工確認。""" + if entry.get("metalloenzyme") is True: + return True + rec = get_protein_family(str(entry.get("family") or "")) + if rec and rec.get("stage17_hitl"): + return True + fam_raw = str(entry.get("family") or "").strip().lower() + if not fam_raw: + return False + if "gpcr" in fam_raw: + return True + for key in ("metall", "metallo", "zinc", "metal", "hdac", "p450", "cyp"): + if key in fam_raw: + return True + return False + + +def default_box_padding_for_family( + family_id: str | None, + *, + global_default: float = 10.0, + gpcr_default: float = 12.0, +) -> tuple[float, str]: + """M4 Engine C：family 預設 box padding（顯式 box_padding 仍優先）。""" + rec = get_protein_family(family_id) + if rec and rec.get("default_box_padding") is not None: + pad = float(rec["default_box_padding"]) + return pad, f"family {rec['id']} → 預設 {pad} Å" + fam_raw = str(family_id or "").lower() + if "gpcr" in fam_raw: + return gpcr_default, f"family 含 GPCR → 預設 {gpcr_default} Å" + if rec: + return global_default, f"family {rec['id']} → 預設 {global_default} Å" + return global_default, f"預設 {global_default} Å" diff --git a/molgate_ui/reasonmind.py b/molgate_ui/reasonmind.py new file mode 100644 index 0000000000000000000000000000000000000000..a9298f33a164dc3bde13c69a97099e728b8bd158 --- /dev/null +++ b/molgate_ui/reasonmind.py @@ -0,0 +1,68 @@ +""" +ReasonMind — DeepSeek 藥研／專利助手（deepseek_tg.py 與網頁共用邏輯）。 +""" + +from __future__ import annotations + +import os +from typing import Any, Iterator + +from molgate_ui.ai_keys import AI_DISPLAY_NAME, AI_MODEL_LABEL, get_deepseek_api_key +from molgate_ui.llm_proxy import llm_chat_json, llm_chat_stream + +REASONMIND_SYSTEM = ( + "你是一位資深的醫藥研發科學家與專利法律專家。" + "請一律使用「繁體中文（台灣）」回答，結構清晰、邏輯嚴謹。" +) + +REASONMIND_MODEL = (os.environ.get("REASONMIND_MODEL") or "deepseek-reasoner").strip() + + +def reasonmind_public_config() -> dict[str, Any]: + key = get_deepseek_api_key() + tg = (os.environ.get("TG_TOKEN") or "").strip() + return { + "ok": True, + "name": "ReasonMind", + "display_name": AI_DISPLAY_NAME, + "model_label": AI_MODEL_LABEL, + "model": REASONMIND_MODEL, + "endpoint": "/api/reasonmind/chat", + "configured": bool(key), + "ai_configured": bool(key), + "telegram_configured": bool(tg and ":" in tg and len(tg) >= 20), + } + + +def _build_payload(messages: list[dict[str, str]], *, stream: bool) -> dict[str, Any]: + msgs: list[dict[str, str]] = [{"role": "system", "content": REASONMIND_SYSTEM}] + for m in messages: + role = str(m.get("role") or "user").strip() + content = str(m.get("content") or "").strip() + if not content or role == "system": + continue + msgs.append({"role": role, "content": content}) + if len(msgs) < 2: + raise ValueError("請提供至少一則 user 訊息") + return { + "model": REASONMIND_MODEL, + "messages": msgs, + "stream": stream, + "system": REASONMIND_SYSTEM, + } + + +def reasonmind_chat_json(messages: list[dict[str, str]]) -> tuple[int, dict[str, Any]]: + return llm_chat_json(_build_payload(messages, stream=False)) + + +def reasonmind_chat_stream(messages: list[dict[str, str]]) -> Iterator[bytes]: + yield from llm_chat_stream(_build_payload(messages, stream=True)) + + +def reasonmind_reply_text(user_input: str) -> tuple[int, dict[str, Any]]: + """Single-turn reply (Telegram bot).""" + text = (user_input or "").strip() + if not text: + return 400, {"ok": False, "error": "empty message"} + return reasonmind_chat_json([{"role": "user", "content": text}]) diff --git a/molgate_ui/server_paths.py b/molgate_ui/server_paths.py new file mode 100644 index 0000000000000000000000000000000000000000..95493a5b6b1baab5b5bff96b671c716095c0725e --- /dev/null +++ b/molgate_ui/server_paths.py @@ -0,0 +1,33 @@ +"""Shared path bindings for module 3/4/5 HTTP servers.""" + +from __future__ import annotations + +import sys +from pathlib import Path + +UI_HOME = Path(__file__).resolve().parents[1] +if str(UI_HOME) not in sys.path: + sys.path.insert(0, str(UI_HOME)) + +from molgate_ui.paths import ( # noqa: E402 + ENGINES, + MASTER_INDEX, + MOLGATE_JS, + SESSIONS, + UI_M3_PANEL, + UI_M4_PANEL, + UI_M5_PANEL, + VINA_BIN, + read_static_asset, +) + +# Engine subprocess cwd and script root +_PKG_ROOT = ENGINES +_SESSIONS = SESSIONS + + +def send_cors_headers(handler) -> None: + """Allow file:// preview panels to call local APIs when servers are running.""" + handler.send_header("Access-Control-Allow-Origin", "*") + handler.send_header("Access-Control-Allow-Methods", "GET, POST, OPTIONS") + handler.send_header("Access-Control-Allow-Headers", "Content-Type") diff --git a/molgate_ui/tg_runner.py b/molgate_ui/tg_runner.py new file mode 100644 index 0000000000000000000000000000000000000000..975a90d904ccb01d5e817cd052eec740bd892168 --- /dev/null +++ b/molgate_ui/tg_runner.py @@ -0,0 +1,62 @@ +"""Optional background Telegram bot (deepseek_tg.py) when TG_TOKEN is set.""" + +from __future__ import annotations + +import atexit +import os +import subprocess +import sys +from pathlib import Path + +UI_HOME = Path(__file__).resolve().parents[1] +_TG_PROC: subprocess.Popen | None = None + +_PLACEHOLDERS = {"你的_TELEGRAM_BOT_TOKEN", "YOUR_TELEGRAM_BOT_TOKEN", ""} + + +def _valid_tg_token(token: str) -> bool: + token = (token or "").strip() + return bool(token and token not in _PLACEHOLDERS and ":" in token and len(token) >= 20) + + +def start_telegram_bot_if_configured() -> bool: + """Spawn deepseek_tg.py in background; return True if started.""" + global _TG_PROC + if _TG_PROC and _TG_PROC.poll() is None: + return True + + token = (os.environ.get("TG_TOKEN") or "").strip() + if not _valid_tg_token(token): + return False + + script = UI_HOME / "deepseek_tg.py" + if not script.is_file(): + print(f"[warn] TG_TOKEN set but missing {script}", file=sys.stderr) + return False + + env = os.environ.copy() + env["MOLGATE_UI_HOME"] = str(UI_HOME) + popen_kw: dict = { + "cwd": str(UI_HOME), + "env": env, + "stdout": subprocess.DEVNULL, + "stderr": subprocess.DEVNULL, + } + if sys.platform == "win32": + popen_kw["creationflags"] = subprocess.CREATE_NO_WINDOW # type: ignore[attr-defined] + + _TG_PROC = subprocess.Popen([sys.executable, str(script)], **popen_kw) + atexit.register(_stop_telegram_bot) + print("[info] ReasonMind Telegram bot started (deepseek_tg.py)") + return True + + +def _stop_telegram_bot() -> None: + global _TG_PROC + if _TG_PROC and _TG_PROC.poll() is None: + _TG_PROC.terminate() + try: + _TG_PROC.wait(timeout=3) + except subprocess.TimeoutExpired: + _TG_PROC.kill() + _TG_PROC = None diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..8083f312aa229a3418dfcd943c9719e10d5689c3 --- /dev/null +++ b/requirements.txt @@ -0,0 +1,8 @@ +flask>=2.3 +gunicorn>=21.0 +rdkit>=2022.09.1 +numpy>=1.24 +scipy>=1.10 +biopython>=1.81 +meeko +gemmi diff --git a/scripts/build_catalog_smiles_index.py b/scripts/build_catalog_smiles_index.py new file mode 100644 index 0000000000000000000000000000000000000000..4c8379e86f2c6192b650fe42c38afdcb32c9e1c8 --- /dev/null +++ b/scripts/build_catalog_smiles_index.py @@ -0,0 +1,21 @@ +#!/usr/bin/env python3 +"""Build config/drug_catalog_smiles_index.json from batch catalog CSVs.""" + +from __future__ import annotations + +import sys +from pathlib import Path + +_UI_ROOT = Path(__file__).resolve().parents[1] +if str(_UI_ROOT) not in sys.path: + sys.path.insert(0, str(_UI_ROOT)) + +from molgate_ui.catalog_lookup import SMILES_INDEX, build_smiles_index + +if __name__ == "__main__": + data = build_smiles_index(persist=True) + print(f"wrote {SMILES_INDEX}") + print( + f"rows={data['catalog_rows']} unique_smiles={data['unique_canonical_smiles']} " + f"ambiguous={data['ambiguous_smiles_groups']} parse_fail={data['parse_fail_count']}" + ) diff --git a/scripts/export_to_creadrug.py b/scripts/export_to_creadrug.py new file mode 100644 index 0000000000000000000000000000000000000000..3df773bc120a5f8058fb7cebeb0d04276abe54d0 --- /dev/null +++ b/scripts/export_to_creadrug.py @@ -0,0 +1,45 @@ +#!/usr/bin/env python3 +"""Export a DrugOps session to CreaDrug24 case pack.""" +from __future__ import annotations + +import argparse +import json +import sys +from pathlib import Path + +UI = Path(__file__).resolve().parents[1] +if str(UI) not in sys.path: + sys.path.insert(0, str(UI)) + +from molgate_ui.creadrug_export import export_session_to_creadrug +from molgate_ui.paths import load_env_file + + +def main() -> int: + load_env_file() + ap = argparse.ArgumentParser(description="Export DrugOps session → CreaDrug24 case") + ap.add_argument("session_id", help="16-char session id") + ap.add_argument("--case-id", help="CreaDrug case id (default M{drug_id} or M_{session8})") + ap.add_argument("--no-overwrite", action="store_true", help="fail if case dir exists") + ap.add_argument("--json", action="store_true", help="print JSON result") + args = ap.parse_args() + + result = export_session_to_creadrug( + args.session_id, + case_id=args.case_id, + overwrite=not args.no_overwrite, + ) + if args.json: + print(json.dumps(result, indent=2, ensure_ascii=False)) + elif result.get("ok"): + print(f"OK case={result['case_id']}") + print(f" dir={result['case_dir']}") + print(f" registry={result['registry']}") + print("Next: push CreaDrug24 to stromapath, open showboard with ?case=" + result["case_id"]) + else: + print(f"FAIL {result.get('error', 'unknown')}", file=sys.stderr) + return 0 if result.get("ok") else 1 + + +if __name__ == "__main__": + raise SystemExit(main()) diff --git a/servers/gateway.py b/servers/gateway.py new file mode 100644 index 0000000000000000000000000000000000000000..ba940b5301f740bf74faed35cb6d6811e77c1e80 --- /dev/null +++ b/servers/gateway.py @@ -0,0 +1,881 @@ +""" +MolGate UI Gateway — index homepage, Module 1/2, shared API. +Run from package root: + python servers/gateway.py +""" + +from __future__ import annotations + +import hashlib +import json +import os +import queue +import subprocess +import sys +import threading +import urllib.error +import urllib.request +from datetime import datetime +from pathlib import Path + +from flask import Flask, Response, jsonify, redirect, request, send_file, send_from_directory + +UI_HOME = Path(__file__).resolve().parents[1] +if str(UI_HOME) not in sys.path: + sys.path.insert(0, str(UI_HOME)) + +from molgate_ui.ai_keys import ensure_api_keys_loaded +from molgate_ui.console_utf8 import subprocess_env +from molgate_ui.catalog_lookup import lookup_by_index_key, lookup_by_smiles +from molgate_ui.index_normalize import normalize_index, validate_index as validate_index_entry +from molgate_ui.protein_families import list_protein_families, list_protein_families_grouped +from molgate_ui.index_status import build_index_status, safe_session_dir, safe_session_file +from molgate_ui.launcher import start_module_servers +from molgate_ui.llm_proxy import llm_chat_json, llm_chat_stream, llm_public_config +from molgate_ui.reasonmind import reasonmind_chat_json, reasonmind_chat_stream, reasonmind_public_config +from molgate_ui.creadrug_export import export_session_to_creadrug +from molgate_ui.pipeline_runner import PipelineParams, PIPELINE_STEPS, iter_pipeline_run, load_pipeline_meta +from molgate_ui.tg_runner import start_telegram_bot_if_configured +from molgate_ui.paths import ( + CREADRUG24_ROOT, + CREADRUG_SHOWBOARD, + ENGINES, + MASTER_INDEX, + MODULE1_SCRIPT, + MODULE2_ENGINE_B, + MODULE2_ENGINE_C, + MOLGATE_JS, + PDB_DIR, + SESSIONS, + UI_ASSETS, + UI_DIR, + UI_INDEX, + UI_M1_PANEL, + UI_M2_PANEL, + UI_M3_PANEL, + UI_M4_PANEL, + UI_M5_PANEL, + UI_REASONMIND, + creadrug_base_url, + creadrug_open_url, + ensure_runtime_dirs, + gateway_port, + load_env_file, + module_ports, +) + +PYTHON = sys.executable +load_env_file() +ensure_api_keys_loaded() +ensure_runtime_dirs() + +_MOLGATE_HOST = os.environ.get("MOLGATE_HOST", "127.0.0.1") +_MP = module_ports() +_MODULE_PORTS = {3: _MP["module3"], 4: _MP["module4"], 5: _MP["module5"]} + +app = Flask(__name__) + + +@app.after_request +def _cors_for_file_preview(resp: Response) -> Response: + resp.headers["Access-Control-Allow-Origin"] = "*" + resp.headers["Access-Control-Allow-Methods"] = "GET, POST, OPTIONS" + resp.headers["Access-Control-Allow-Headers"] = "Content-Type" + return resp + + +@app.before_request +def _cors_preflight() -> Response | None: + if request.method == "OPTIONS": + return Response("", status=204) + return None + + +def make_session_id(smiles: str, target: str, pdb_id: str) -> str: + raw = f"{smiles}|{target}|{pdb_id}|0.3" + return hashlib.sha256(raw.encode()).hexdigest()[:16] + + +def find_local_pdb(pdb_id: str) -> Path | None: + pid = pdb_id.upper() + for fname in [f"{pid}.pdb", f"{pid.lower()}.pdb"]: + p = PDB_DIR / fname + if p.is_file(): + return p + return None + + +def list_local_pdbs() -> list[str]: + if not PDB_DIR.is_dir(): + return [] + return sorted({f.stem.upper() for f in PDB_DIR.glob("*.pdb")}) + + +@app.route("/api/pdb/local") +def api_pdb_local(): + return jsonify({"pdbs": list_local_pdbs()}) + + +@app.route("/api/pdb/check/") +def api_pdb_check(pdb_id): + p = find_local_pdb(pdb_id) + pid = pdb_id.upper() + return jsonify({ + "found": p is not None, + "path": str(p) if p else None, + "rcsb_url": f"https://www.rcsb.org/structure/{pid}", + "download_url": f"https://files.rcsb.org/download/{pid}.pdb", + }) + + +@app.route("/api/index/validate", methods=["POST"]) +def api_index_validate(): + data = request.json or {} + normalized = normalize_index(data) + errors = validate_index_entry(normalized) + return jsonify({"valid": len(errors) == 0, "errors": errors, "normalized": normalized}) + + +@app.route("/api/index/entry/") +def api_index_entry(key: str): + """Return one target entry from master_index.json (for Module 1 form prefill).""" + k = (key or "").strip().upper() + if not k or not MASTER_INDEX.is_file(): + return jsonify({"found": False, "key": k, "entry": None}), 404 + try: + master = json.loads(MASTER_INDEX.read_text(encoding="utf-8")) + except (OSError, json.JSONDecodeError): + return jsonify({"found": False, "key": k, "entry": None, "error": "master index unreadable"}), 500 + entry = master.get(k) + if not isinstance(entry, dict): + return jsonify({"found": False, "key": k, "entry": None}), 404 + return jsonify({"found": True, "key": k, "entry": normalize_index(entry)}) + + +@app.route("/api/catalog/lookup/smiles", methods=["POST"]) +def api_catalog_lookup_smiles(): + """SMILES → 300 藥 catalog 條目（含 index_key、target、PDB）+ master index 合約。""" + body = request.json or {} + smiles = (body.get("smiles") or "").strip() + if not smiles: + return jsonify({"found": False, "reason": "empty", "matches": []}), 400 + return jsonify(lookup_by_smiles(smiles)) + + +@app.route("/api/catalog/lookup/index/") +def api_catalog_lookup_index(key: str): + """index_key → catalog 條目 + master index 合約。""" + result = lookup_by_index_key(key) + if not result.get("found"): + return jsonify(result), 404 + return jsonify(result) + + +@app.route("/api/catalog/batch-summary") +def api_catalog_batch_summary(): + """300 例 batch 結果（HF browse / Data Availability）。""" + for name in ("catalog_300_run_summary.json", "catalog_300_run_summary.min.json"): + p = CONFIG / name + if p.is_file(): + return send_file(p, mimetype="application/json") + return jsonify({"ok": False, "error": "catalog_300_run_summary not bundled"}), 404 + + +@app.route("/api/protein-families") +def api_protein_families(): + """Module 1 蛋白家族下拉選單（分組）。""" + lang = (request.args.get("lang") or "zh").strip() + return jsonify({ + "lang": lang, + "groups": list_protein_families_grouped(lang=lang), + "families": list_protein_families(lang=lang), + }) + + +@app.route("/api/session/create", methods=["POST"]) +def api_session_create(): + body = request.json or {} + smiles = body.get("smiles", "").strip() + pdb_id = body.get("pdb_id", "").strip().upper() + target = body.get("target", "").strip().upper() + index = normalize_index(body.get("index", {})) + if not smiles or not pdb_id or not target: + return jsonify({"error": "missing smiles / pdb_id / target"}), 400 + errors = validate_index_entry(index) + if errors: + return jsonify({"error": "index validation failed", "errors": errors, "normalized": index}), 400 + sid = make_session_id(smiles, target, pdb_id) + sd = SESSIONS / sid + sd.mkdir(parents=True, exist_ok=True) + index_data = dict(index) + index_data["_created"] = datetime.now().isoformat() + index_data["_source"] = "ui" + (sd / "session_index.json").write_text( + json.dumps(index_data, indent=2, ensure_ascii=False), encoding="utf-8" + ) + return jsonify({"session_id": sid, "session_dir": str(sd), "message": "ok"}) + + +@app.route("/api/module1/run", methods=["POST"]) +def api_module1_run(): + body = request.json or {} + smiles = body.get("smiles", "").strip() + pdb_id = body.get("pdb_id", "").strip().upper() + target = body.get("target", "").strip() + session_id = body.get("session_id", "").strip() + drug_label = body.get("drug_label", "").strip() + if not all([smiles, pdb_id, target, session_id]): + return jsonify({"error": "missing required fields"}), 400 + sd = SESSIONS / session_id + if not sd.is_dir(): + return jsonify({"error": f"session not found: {session_id}"}), 404 + allow_network = body.get("allow_network", False) + local_pdb = find_local_pdb(pdb_id) + if local_pdb: + import shutil + pdb_dest = sd / "pdb" + pdb_dest.mkdir(exist_ok=True) + shutil.copy2(local_pdb, pdb_dest / f"{pdb_id}.pdb") + + def generate(): + cmd = [ + PYTHON, str(MODULE1_SCRIPT), + "--smiles", smiles, "--target", target, "--pdb-id", pdb_id, + "--session-id", session_id, + "--index", str(MASTER_INDEX), + ] + if drug_label: + cmd += ["--drug-label", drug_label] + if allow_network: + cmd += ["--allow-network"] + run_env = subprocess_env() + run_env["MOLGATE_UI_HOME"] = str(UI_HOME) + run_env["MOLGATE_SESSIONS"] = str(SESSIONS) + q: queue.Queue[str | None] = queue.Queue() + + def reader(pipe): + for line in pipe: + q.put(line) + q.put(None) + + proc = subprocess.Popen( + cmd, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, + text=True, encoding="utf-8", errors="replace", + cwd=str(SESSIONS.parent), env=run_env, + ) + threading.Thread(target=reader, args=(proc.stdout,), daemon=True).start() + while True: + line = q.get() + if line is None: + break + yield f"data: {json.dumps({'log': line.rstrip()})}\n\n" + proc.wait() + result = {"returncode": proc.returncode, "session_id": session_id} + for stage, name in [(1, "smiles"), (2, "pdb"), (3, "index"), (31, "stereo_hint")]: + p = sd / f"stage_{stage:02d}_{name}.json" + if p.is_file(): + result[f"stage{stage:02d}"] = json.loads(p.read_text(encoding="utf-8")) + status = "complete" if proc.returncode == 0 else "error" + yield f"data: {json.dumps({'status': status, 'result': result})}\n\n" + + return Response( + generate(), mimetype="text/event-stream", + headers={"Cache-Control": "no-cache", "X-Accel-Buffering": "no"}, + ) + + +@app.route("/api/pipeline/steps") +def api_pipeline_steps(): + meta = load_pipeline_meta() + engines = [ + { + "module": s.module, + "engine": s.engine_id, + "label_zh": s.label_zh, + "label_en": s.label_en, + } + for s in PIPELINE_STEPS + ] + return jsonify({"ok": True, "engines": engines, "meta": meta}) + + +@app.route("/api/pipeline/run", methods=["POST"]) +def api_pipeline_run(): + """Run M1→M5 engines sequentially on one session (SSE).""" + body = request.json or {} + smiles = body.get("smiles", "").strip() + pdb_id = body.get("pdb_id", "").strip().upper() + target = body.get("target", "").strip() + session_id = body.get("session_id", "").strip() + drug_label = body.get("drug_label", "").strip() + allow_network = bool(body.get("allow_network", False)) + non_interactive = bool(body.get("non_interactive", True)) + from_module = int(body.get("from_module", 1)) + create_session = bool(body.get("create_session", True)) + + if not session_id and smiles and pdb_id and target: + session_id = make_session_id(smiles, target, pdb_id) + + if not session_id: + return jsonify({"error": "missing session_id or smiles/pdb_id/target"}), 400 + + sd = SESSIONS / session_id + if create_session and not sd.is_dir(): + if not all([smiles, pdb_id, target]): + return jsonify({"error": "missing smiles / pdb_id / target for new session"}), 400 + index = normalize_index(body.get("index", {})) + errors = validate_index_entry(index) + if errors: + return jsonify({"error": "index validation failed", "errors": errors}), 400 + sd.mkdir(parents=True, exist_ok=True) + index_data = dict(index) + index_data["_created"] = datetime.now().isoformat() + index_data["_source"] = "pipeline" + (sd / "session_index.json").write_text( + json.dumps(index_data, indent=2, ensure_ascii=False), encoding="utf-8" + ) + elif not sd.is_dir(): + return jsonify({"error": f"session not found: {session_id}"}), 404 + + if not target: + for src in (sd / "session_meta.json", sd / "stage_03_index.json"): + if src.is_file(): + try: + data = json.loads(src.read_text(encoding="utf-8")) + target = str(data.get("target", "") or data.get("index_key", "")).strip() + if target: + break + except (json.JSONDecodeError, OSError): + pass + if not target: + return jsonify({"error": "missing target"}), 400 + + params = PipelineParams( + smiles=smiles, + pdb_id=pdb_id, + target=target, + session_id=session_id, + drug_label=drug_label, + allow_network=allow_network, + non_interactive=non_interactive, + from_module=max(1, min(5, from_module)), + vina_bin=str(body.get("vina_bin", "") or "").strip(), + ) + + def generate(): + yield f"data: {json.dumps({'phase': 'pipeline_start', 'session_id': session_id})}\n\n" + for event in iter_pipeline_run(params, pdb_dir=PDB_DIR): + yield f"data: {json.dumps(event, ensure_ascii=False)}\n\n" + + return Response( + generate(), + mimetype="text/event-stream", + headers={"Cache-Control": "no-cache", "X-Accel-Buffering": "no"}, + ) + + +def _pipeline_subprocess_env() -> dict[str, str]: + env = subprocess_env() + env["MOLGATE_UI_HOME"] = str(UI_HOME) + env["MOLGATE_SESSIONS"] = str(SESSIONS) + return env + + +def _sse_subprocess(cmd: list[str], sd: Path, session_id: str, extra_stages: list[tuple[int, str]] | None = None): + """Run engine subprocess and stream SSE log lines.""" + + def generate(): + proc = subprocess.Popen( + cmd, + stdout=subprocess.PIPE, + stderr=subprocess.STDOUT, + text=True, + encoding="utf-8", + errors="replace", + cwd=str(ENGINES), + env=_pipeline_subprocess_env(), + ) + if proc.stdout: + for line in proc.stdout: + yield f"data: {json.dumps({'log': line.rstrip()})}\n\n" + proc.wait() + result: dict = {"returncode": proc.returncode, "session_id": session_id} + for stage, name in extra_stages or []: + p = sd / f"stage_{stage:02d}_{name}.json" + if p.is_file(): + result[f"stage{stage:02d}"] = json.loads(p.read_text(encoding="utf-8")) + status = "complete" if proc.returncode == 0 else "error" + yield f"data: {json.dumps({'status': status, 'result': result}, ensure_ascii=False)}\n\n" + + return Response( + generate(), + mimetype="text/event-stream", + headers={"Cache-Control": "no-cache", "X-Accel-Buffering": "no"}, + ) + + +@app.route("/api/session//stage01") +def api_session_stage01(sid): + sd = SESSIONS / sid + if not sd.is_dir(): + return jsonify({"error": "session not found"}), 404 + p = sd / "stage_01_smiles.json" + if not p.is_file(): + return jsonify({"error": "stage 01 not complete"}), 404 + data = json.loads(p.read_text(encoding="utf-8")) + meta = {} + mp = sd / "session_meta.json" + if mp.is_file(): + meta = json.loads(mp.read_text(encoding="utf-8")) + return jsonify({ + "session_id": sid, + "canonical_smiles": data.get("canonical_smiles", ""), + "mol_weight": data.get("mol_weight"), + "n_undefined_chiral_centers": data.get("n_undefined_chiral_centers", 0), + "n_undefined_ez_bonds": data.get("n_undefined_ez_bonds", 0), + "target": meta.get("target", ""), + "pdb_id": meta.get("pdb_id", ""), + "drug_label": meta.get("drug_label", ""), + }) + + +@app.route("/api/session//stage04") +def api_session_stage04(sid): + sd = SESSIONS / sid + p = sd / "stage_04_protonation.json" + if not p.is_file(): + return jsonify({"error": "stage 04 not found"}), 404 + return jsonify(json.loads(p.read_text(encoding="utf-8"))) + + +@app.route("/api/session//stage05") +def api_session_stage05(sid): + sd = SESSIONS / sid + p = sd / "stage_05_tautomer.json" + if not p.is_file(): + return jsonify({"error": "stage 05 not found"}), 404 + return jsonify(json.loads(p.read_text(encoding="utf-8"))) + + +@app.route("/api/module2/engineB/run", methods=["POST"]) +def api_module2_engineb_run(): + body = request.json or {} + session_id = (body.get("session_id") or "").strip() + target = (body.get("target") or "").strip() + if not session_id or not target: + return jsonify({"error": "missing session_id or target"}), 400 + sd = SESSIONS / session_id + if not sd.is_dir(): + return jsonify({"error": f"session not found: {session_id}"}), 404 + cmd = [ + PYTHON, str(MODULE2_ENGINE_B), + "--session-dir", str(sd.resolve()), + "--target", target, + "--non-interactive", + ] + return _sse_subprocess(cmd, sd, session_id, [(4, "protonation"), (5, "tautomer")]) + + +@app.route("/api/module2/engineC/run", methods=["POST"]) +def api_module2_enginec_run(): + body = request.json or {} + session_id = (body.get("session_id") or "").strip() + target = (body.get("target") or "").strip() + engine = (body.get("engine") or "meeko").strip() + if not session_id or not target: + return jsonify({"error": "missing session_id or target"}), 400 + sd = SESSIONS / session_id + if not sd.is_dir(): + return jsonify({"error": f"session not found: {session_id}"}), 404 + cmd = [ + PYTHON, str(MODULE2_ENGINE_C), + "--session-dir", str(sd.resolve()), + "--target", target, + "--engine", engine, + ] + + def generate(): + proc = subprocess.Popen( + cmd, + stdout=subprocess.PIPE, + stderr=subprocess.STDOUT, + text=True, + encoding="utf-8", + errors="replace", + cwd=str(ENGINES), + env=subprocess_env(), + ) + if proc.stdout: + for line in proc.stdout: + yield f"data: {json.dumps({'log': line.rstrip()})}\n\n" + proc.wait() + result: dict = {"returncode": proc.returncode, "session_id": session_id} + p = sd / "stage_09_ligand_pdbqt.json" + if p.is_file(): + result["stage09"] = json.loads(p.read_text(encoding="utf-8")) + pdbqt = sd / "ligand" / "ligand.pdbqt" + result["pdbqt_exists"] = pdbqt.is_file() + result["pdbqt_path"] = str(pdbqt) if pdbqt.is_file() else None + status = "complete" if proc.returncode == 0 else "error" + yield f"data: {json.dumps({'status': status, 'result': result})}\n\n" + + return Response( + generate(), + mimetype="text/event-stream", + headers={"Cache-Control": "no-cache", "X-Accel-Buffering": "no"}, + ) + + +@app.route("/api/session//status") +def api_session_status(sid): + sd = SESSIONS / sid + if not sd.is_dir(): + return jsonify({"error": "session not found"}), 404 + stages = {} + for stage, name in [ + (1, "smiles"), (2, "pdb"), (3, "index"), (31, "stereo_hint"), + (4, "protonation"), (5, "tautomer"), + (21, "hetatm"), (22, "ligand"), (23, "pocket_center"), + (24, "vina"), (25, "qc"), (26, "result"), (27, "review"), + ]: + p = sd / f"stage_{stage:02d}_{name}.json" + if p.is_file(): + stages[f"stage_{stage:02d}"] = json.loads(p.read_text()).get("status", "unknown") + final = sd / "final_report.json" + return jsonify({ + "session_id": sid, + "stages": stages, + "complete": final.is_file(), + "final_report": json.loads(final.read_text()) if final.is_file() else None, + }) + + +@app.route("/api/index/status") +def api_index_status(): + sid = (request.args.get("session") or "").strip() + return jsonify(build_index_status( + sid, sessions_root=SESSIONS, creadrug_base=creadrug_base_url(), + )) + + +@app.route("/api/session//export/creadrug", methods=["POST"]) +def api_export_creadrug(sid: str): + """Export DrugOps session → CreaDrug24 case pack (Method 1).""" + sd = safe_session_dir(SESSIONS, sid) + if not sd: + return jsonify({"ok": False, "error": f"session not found: {sid}"}), 404 + body = request.json or {} + result = export_session_to_creadrug( + sid, + sessions_root=SESSIONS, + creadrug_root=CREADRUG24_ROOT, + case_id=(body.get("case_id") or "").strip() or None, + overwrite=body.get("overwrite", True), + ) + if not result.get("ok"): + return jsonify(result), 400 + case_id = str(result.get("case_id") or "") + scheme = request.headers.get("X-Forwarded-Proto", request.scheme) + host = request.headers.get("X-Forwarded-Host", request.host) + api_base = f"{scheme}://{host}".rstrip("/") + result["creadrug_url"] = creadrug_open_url( + case_id=case_id, view="pose", session_id=sid, api_base=api_base, + ) + return jsonify(result) + + +@app.route("/api/structure/file") +def api_structure_file(): + sid = (request.args.get("session") or "").strip() + rel = (request.args.get("path") or "").strip() + sd = safe_session_dir(SESSIONS, sid) + if not sd: + return jsonify({"ok": False, "error": "invalid session"}), 400 + fp = safe_session_file(sd, rel) + if not fp: + return jsonify({"ok": False, "error": "file not found"}), 404 + return send_file(fp, as_attachment=False, download_name=fp.name) + + +@app.route("/") +def home(): + root_index = UI_HOME / "index.html" + if root_index.is_file(): + return send_file(root_index) + if UI_INDEX.is_file(): + return send_from_directory(str(UI_DIR), "index.html") + return "

MolGate UI — index.html missing

", 404 + + +@app.route("/module/1") +@app.route("/module1_panel.html") +def module1(): + if UI_M1_PANEL.is_file(): + return send_from_directory(str(UI_M1_PANEL.parent), UI_M1_PANEL.name) + return "

Module 1 panel missing — run scripts/bootstrap.ps1

", 404 + + +@app.route("/module/2") +@app.route("/module2_panel.html") +def module2(): + if UI_M2_PANEL.is_file(): + return send_from_directory(str(UI_M2_PANEL.parent), UI_M2_PANEL.name) + return "

Module 2 panel missing

", 404 + + +@app.route("/module/3") +@app.route("/module3_panel.html") +def module3(): + if UI_M3_PANEL.is_file(): + return send_from_directory(str(UI_M3_PANEL.parent), UI_M3_PANEL.name) + return "

Module 3 panel missing

", 404 + + +@app.route("/module/4") +@app.route("/module4_panel.html") +def module4(): + if UI_M4_PANEL.is_file(): + return send_from_directory(str(UI_M4_PANEL.parent), UI_M4_PANEL.name) + return "

Module 4 panel missing

", 404 + + +@app.route("/module/5") +@app.route("/module5_panel.html") +def module5(): + if UI_M5_PANEL.is_file(): + return send_from_directory(str(UI_M5_PANEL.parent), UI_M5_PANEL.name) + return "

Module 5 panel missing

", 404 + + +@app.route("/reasonmind/") +@app.route("/reasonmind") +def reasonmind_page(): + if UI_REASONMIND.is_file(): + return send_from_directory(str(UI_REASONMIND.parent), UI_REASONMIND.name) + return "

ReasonMind page missing

", 404 + + +@app.route("/creadrug/") +@app.route("/creadrug") +def creadrug_redirect(): + qs = request.query_string.decode() if request.query_string else "" + url = creadrug_base_url() + if qs: + url += ("&" if "?" in url else "?") + qs + if CREADRUG_SHOWBOARD.is_file(): + return redirect(url, code=302) + stub = UI_DIR / "creadrug" / "index.html" + if stub.is_file(): + return send_from_directory(str(stub.parent), "index.html") + return ( + "

CreaDrug 3D

" + f"

CreaDrug24 未找到：{CREADRUG24_ROOT}

" + "

請將 CreaDrug24 放在套件根目錄，或設定 CREADRUG_ROOT。

", + 404, + ) + + +@app.route("/creadrug24/") +@app.route("/creadrug24/") +def creadrug24_static(subpath: str = ""): + root = CREADRUG24_ROOT.resolve() + if not root.is_dir(): + return jsonify({"ok": False, "error": f"CreaDrug24 not found: {root}"}), 404 + rel = subpath.strip().replace("\\", "/") if subpath else "creadrug_showboard_24.html" + if not rel: + rel = "creadrug_showboard_24.html" + fp = (root / rel).resolve() + try: + fp.relative_to(root) + except ValueError: + return "forbidden", 403 + if fp.is_dir(): + showboard = fp / "creadrug_showboard_24.html" + if showboard.is_file(): + return send_from_directory(str(fp), "creadrug_showboard_24.html") + return "not found", 404 + if fp.is_file(): + return send_from_directory(str(fp.parent), fp.name) + return "not found", 404 + + +@app.route("/assets/") +def assets(filename): + if UI_ASSETS.is_dir(): + p = UI_ASSETS / filename + if p.is_file(): + return send_from_directory(str(UI_ASSETS), filename) + return "not found", 404 + + +@app.route("/molgate_ui_shared.js") +def legacy_shared_js(): + if MOLGATE_JS.is_file(): + return send_from_directory(str(MOLGATE_JS.parent), MOLGATE_JS.name) + return "not found", 404 + + +def _proxy_module_request(module: int, subpath: str) -> Response: + """Forward API to module 3–5 backend (same package, internal ports).""" + port = _MODULE_PORTS.get(module) + if not port: + return jsonify({"ok": False, "error": f"invalid module: {module}"}), 404 + + qs = request.query_string.decode() if request.query_string else "" + url = f"http://{_MOLGATE_HOST}:{port}/{subpath}" + if qs: + url += "?" + qs + + headers: dict[str, str] = {} + ct_in = request.headers.get("Content-Type") + if ct_in: + headers["Content-Type"] = ct_in + body = request.get_data() if request.method in ("POST", "PUT", "PATCH") else None + + req = urllib.request.Request(url, data=body, method=request.method, headers=headers) + try: + upstream = urllib.request.urlopen(req, timeout=600) + except urllib.error.HTTPError as e: + err_ct = e.headers.get("Content-Type", "text/plain; charset=utf-8") + return Response(e.read(), status=e.code, content_type=err_ct) + except Exception as e: + return jsonify({"ok": False, "error": str(e)}), 502 + + ct_out = upstream.headers.get("Content-Type", "application/octet-stream") + if "text/event-stream" in ct_out: + + def stream(): + while True: + chunk = upstream.read(4096) + if not chunk: + break + yield chunk + + return Response(stream(), status=upstream.status, content_type=ct_out) + + return Response(upstream.read(), status=upstream.status, content_type=ct_out) + + +@app.route("/api/proxy//", methods=["GET", "POST", "PUT", "PATCH", "DELETE"]) +def api_module_proxy(module: int, subpath: str): + """Browser 只連 :5000；M3–M5 引擎 API 經此轉發。""" + return _proxy_module_request(module, subpath) + + +@app.route("/api/config/public") +def api_public_config(): + port = gateway_port() + scheme = request.headers.get("X-Forwarded-Proto", request.scheme) + host = request.headers.get("X-Forwarded-Host", request.host) + api_base = f"{scheme}://{host}".rstrip("/") + return jsonify({ + "ok": True, + "gateway_port": port, + "entry_url": f"http://{_MOLGATE_HOST}:{port}/", + "platform": "CreaDrug DrugOps", + "hf_space": bool(os.environ.get("MOLGATE_HF_SPACE")), + "creadrug_url": creadrug_base_url(), + "api_base": api_base, + }) + + +@app.route("/api/health") +def api_health(): + """Quick check that gateway + optional module servers are up.""" + import urllib.request + + host = os.environ.get("MOLGATE_HOST", "127.0.0.1") + _mp = module_ports() + checks = { + "module3": (_mp["module3"], "/api/status?session=0000000000000000"), + "module4": (_mp["module4"], "/api/module4/status?session="), + "module5": (_mp["module5"], "/api/module5/status?session="), + } + out: dict = { + "gateway": True, + "package": str(UI_HOME), + "creadrug24": CREADRUG_SHOWBOARD.is_file(), + "creadrug24_root": str(CREADRUG24_ROOT), + "modules": {}, + } + for name, (port, path) in checks.items(): + url = f"http://{host}:{port}{path}" + try: + urllib.request.urlopen(url, timeout=1.5) + out["modules"][name] = True + except urllib.error.HTTPError: + out["modules"][name] = True + except Exception: + out["modules"][name] = False + return jsonify(out) + + +@app.route("/api/reasonmind/config") +def api_reasonmind_config(): + return jsonify(reasonmind_public_config()) + + +@app.route("/api/reasonmind/chat", methods=["POST"]) +def api_reasonmind_chat(): + payload = request.get_json(silent=True) or {} + stream = bool(payload.get("stream", True)) + messages = payload.get("messages") + if not isinstance(messages, list) or not messages: + return jsonify({"ok": False, "error": "messages 必須為非空陣列"}), 400 + try: + if not stream: + code, body = reasonmind_chat_json(messages) + return jsonify(body), code + + def generate(): + yield from reasonmind_chat_stream(messages) + + return Response(generate(), mimetype="text/event-stream; charset=utf-8") + except ValueError as e: + return jsonify({"ok": False, "error": str(e)}), 400 + + +@app.route("/api/llm/config") +def api_llm_config(): + return jsonify(llm_public_config()) + + +@app.route("/api/llm/chat", methods=["POST"]) +@app.route("/api/ollama/chat", methods=["POST"]) +def api_llm_chat(): + payload = request.get_json(silent=True) or {} + stream = bool(payload.get("stream", True)) + try: + if not stream: + code, body = llm_chat_json(payload) + return jsonify(body), code + + def generate(): + yield from llm_chat_stream(payload) + + return Response(generate(), mimetype="text/event-stream; charset=utf-8") + except ValueError as e: + return jsonify({"ok": False, "error": str(e)}), 400 + + +if __name__ == "__main__": + port = gateway_port() + host = os.environ.get("MOLGATE_HOST", "127.0.0.1") + try: + start_module_servers(host=host) + except Exception as e: + print(f"[warn] Module 3–5 backends: {e}", file=sys.stderr) + if not os.environ.get("MOLGATE_HF_SPACE"): + try: + start_telegram_bot_if_configured() + except Exception as e: + print(f"[warn] Telegram bot: {e}", file=sys.stderr) + print("=" * 55) + print(" MolGate UI — 單一入口") + print(f" http://{host}:{port}/") + print(f" ReasonMind → http://{host}:{port}/reasonmind") + print(f" 首頁 → /module/1 … /module/5") + print(f" package: {UI_HOME}") + print(" Index 驗證：het_id 選填（空則 pocket_rule=auto_detect，M4 手動選）") + print("=" * 55) + app.run(host="0.0.0.0", port=port, debug=False, threaded=True) diff --git a/servers/module3_server.py b/servers/module3_server.py new file mode 100644 index 0000000000000000000000000000000000000000..ec64afed51a91ae4f0b4619c3f05909d1983af3c --- /dev/null +++ b/servers/module3_server.py @@ -0,0 +1,538 @@ +""" +MolGate — Module 3 本機面板後端 +提供靜態 panel HTML、session 狀態 JSON、subprocess 執行 Engine A/B/C， +以及 DeepSeek LLM 代理（/api/llm/chat，避免瀏覽器 CORS 與暴露 API Key）。 + +環境變數：DEEPSEEK_API_KEY、LLM_PROVIDER（預設 deepseek） +""" + +from __future__ import annotations + +import json +import os +import re +import subprocess +import sys +import urllib.error +import urllib.parse +import urllib.request +from http.server import BaseHTTPRequestHandler, HTTPServer +from pathlib import Path +from typing import Any + +_UI = Path(__file__).resolve().parents[1] +if str(_UI) not in sys.path: + sys.path.insert(0, str(_UI)) +from molgate_ui.console_utf8 import subprocess_env +from molgate_ui.llm_proxy import llm_chat_json, llm_chat_stream, llm_public_config +from molgate_ui.ai_keys import ensure_api_keys_loaded +from molgate_ui.paths import load_env_file +from molgate_ui.server_paths import ( # noqa: E402 + _PKG_ROOT, + _SESSIONS, + UI_M3_PANEL as _PANEL, + MOLGATE_JS as _SHARED_JS, + read_static_asset, + send_cors_headers, +) + +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) + +_SESSION_ID_RE = re.compile(r"^[a-fA-F0-9]{16}$") + + +def _read_json(p: Path) -> dict[str, Any] | None: + if not p.is_file(): + return None + try: + return json.loads(p.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + return None + + +def _safe_session_dir(session_id: str) -> Path | None: + sid = (session_id or "").strip() + if not sid or not _SESSION_ID_RE.match(sid): + return None + p = (_SESSIONS / sid).resolve() + try: + p.relative_to(_SESSIONS.resolve()) + except ValueError: + return None + return p if p.is_dir() else None + + +def _invalidate_after_engine_a(sd: Path) -> None: + """Engine A 重跑後，下游 B/C 決策與 Stage 15 確認須重做（避免沿用舊的自動決策）。""" + for name in ( + "stage_15_cofactor.json", + "stage_16_propka.json", + "stage_17_override.json", + "stage_18_saltbridge.json", + "prep_decisions.json", + "_ui_stage15_confirmed.json", + "_ui_stage15_keep.json", + "stage_19_receptor_pdbqt.json", + "stage_20_receptor_geometry_qc.json", + ): + p = sd / name + if p.is_file(): + p.unlink() + rp = sd / "protein" / "receptor.pdbqt" + if rp.is_file(): + rp.unlink() + + +def _stage15_valid(rec: dict[str, Any] | None, sd: Path) -> bool: + if not rec: + return False + detected = rec.get("detected") or [] + if not detected: + return (rec.get("status") or "").upper() == "AUTO" and rec.get("action") == "none" + confirmed = _read_json(sd / "_ui_stage15_confirmed.json") + if not confirmed or not confirmed.get("confirmed"): + return False + return (rec.get("status") or "").upper() == "MANUAL" and rec.get("action") == "selective" + + +def _stage_status_class(rec: dict[str, Any] | None) -> tuple[str, str, str]: + """回傳 (顯示文字, status CSS class, 狀態標籤)""" + if not rec: + return "—", "", "" + st = (rec.get("status") or "").upper() + if st == "AUTO": + return st, "s-auto", "AUTO" + if st == "WARN": + return st, "s-warn", "WARN" + if st == "MANUAL": + return st, "s-manual", "MANUAL" + if st == "SKIPPED": + return "SKIPPED", "s-skip", "SKIPPED" + if st == "PASS": + return "PASS", "s-auto", "PASS" + if st == "FAIL": + return "FAIL", "s-fail", "FAIL" + return st or "—", "s-auto", st or "—" + + +def _summarize_stage_a_row(n: int, rec: dict[str, Any] | None) -> dict[str, Any]: + if not rec: + return {"num": n, "val": "—", "statusClass": "", "statusText": "", "raw": None} + val = "—" + if n == 10: + val = rec.get("family", "—") + elif n == 11: + val = rec.get("state", "—") + elif n == 12: + kc = rec.get("kept_chains") or [] + val = f"保留 {','.join(kc)}" if kc else "—" + elif n == 13: + mc = rec.get("missing_count", 0) + val = f"{mc} 處缺失" if mc else "無缺失環" + elif n == 14: + wc = rec.get("water_count", 0) + act = rec.get("action", "") + val = f"水 {wc} 個 · {act}" + cls, sc, stxt = _stage_status_class(rec) + return {"num": n, "val": val, "statusClass": sc, "statusText": stxt, "raw": rec} + + +def build_status(session_id: str) -> dict[str, Any]: + err: str | None = None + sd = _safe_session_dir(session_id) + if not session_id.strip(): + err = "請輸入 session id（16 位 hex）" + elif not sd: + err = f"找不到 session：{session_id!r}" + + out: dict[str, Any] = { + "ok": sd is not None, + "error": err, + "session_id": session_id.strip() if session_id else "", + "target": "", + "pdb_id": "", + "paths": {}, + "engine_a": {"complete": False, "stages": [], "cleaned_exists": False}, + "engine_b": {"complete": False, "stages": [], "prep": None, "ready_for_engine_e": False}, + "engine_c": {"complete": False, "stages": [], "receptor_exists": False}, + } + if not sd: + return out + + s3 = _read_json(sd / "stage_03_index.json") + man = _read_json(sd / "molgate_run_manifest.json") + out["target"] = (s3 or {}).get("target") or (man or {}).get("target") or "" + out["pdb_id"] = (s3 or {}).get("pdb_id") or (man or {}).get("pdb_id") or "" + out["paths"] = { + "cleaned_pdb": str((sd / "protein" / "cleaned.pdb").as_posix()), + "prep_decisions": str((sd / "prep_decisions.json").as_posix()), + "receptor_pdbqt": str((sd / "protein" / "receptor.pdbqt").as_posix()), + } + + stages_a = [] + for i, name in enumerate( + ["family", "state", "chains", "loops", "water"], + start=10, + ): + rec = _read_json(sd / f"stage_{i:02d}_{name}.json") + stages_a.append(_summarize_stage_a_row(i, rec)) + out["engine_a"]["stages"] = stages_a + cleaned = sd / "protein" / "cleaned.pdb" + out["engine_a"]["cleaned_exists"] = cleaned.is_file() + out["engine_a"]["complete"] = cleaned.is_file() and _read_json(sd / "stage_14_water.json") is not None + + b_stages = [] + s15_rec = _read_json(sd / "stage_15_cofactor.json") + s15_ok = _stage15_valid(s15_rec, sd) + for i, name in [(15, "cofactor"), (16, "propka"), (17, "override"), (18, "saltbridge")]: + rec = _read_json(sd / f"stage_{i:02d}_{name}.json") + val = "—" + stxt_override = "" + sc_override = "" + if rec: + if i == 15: + n_det = len(rec.get("detected") or []) + if n_det and not s15_ok: + val = f"待確認 · {n_det}項" + stxt_override = "待確認" + sc_override = "s-manual" + elif n_det: + n_kept = len(rec.get("selective_keep") or rec.get("kept") or []) + val = f"保留 {n_kept} / {n_det}" + else: + val = "AUTO" + elif i == 17: + rules = rec.get("override_rules") or {} + val = f"{len(rules)} 條規則" if rules else rec.get("status", "—") + else: + val = rec.get("flag") or rec.get("status", "—") + cls, sc, stxt = _stage_status_class(rec) + if stxt_override: + stxt = stxt_override + sc = sc_override + b_stages.append({"num": i, "val": val, "statusClass": sc, "statusText": stxt, "raw": rec}) + out["engine_b"]["stages"] = b_stages + prep = _read_json(sd / "prep_decisions.json") + out["engine_b"]["prep"] = prep + rdy = bool(prep and prep.get("ready_for_engine_e")) + out["engine_b"]["stage15_valid"] = s15_ok + out["engine_b"]["stage15_stale"] = bool(s15_rec and not s15_ok and (s15_rec.get("detected") or [])) + out["engine_b"]["ready_for_engine_e"] = rdy and s15_ok + out["engine_b"]["complete"] = rdy and s15_ok + + c_stages = [] + for i, name in [(19, "receptor_pdbqt"), (20, "receptor_geometry_qc")]: + rec = _read_json(sd / f"stage_{i:02d}_{name}.json") + val = "—" + if rec: + if i == 19: + val = rec.get("engine") or rec.get("status", "—") + if rec.get("receptor_pdbqt"): + val = f"{val} → receptor.pdbqt" + elif i == 20: + val = f"AA≈{rec.get('approx_aa_residues', '—')} · {rec.get('status', '')}" + cls, sc, stxt = _stage_status_class(rec) + c_stages.append({"num": i, "val": val, "statusClass": sc, "statusText": stxt, "raw": rec}) + out["engine_c"]["stages"] = c_stages + rp = sd / "protein" / "receptor.pdbqt" + out["engine_c"]["receptor_exists"] = rp.is_file() + s19 = _read_json(sd / "stage_19_receptor_pdbqt.json") + out["engine_c"]["complete"] = bool( + s19 and s19.get("status") == "PASS" and rp.is_file() + ) + + # Summary 用 + s14 = _read_json(sd / "stage_14_water.json") + s12 = _read_json(sd / "stage_12_chains.json") + out["summary"] = { + "cleaned_rel": "protein/cleaned.pdb" if cleaned.is_file() else "—", + "chains": ",".join(s12.get("kept_chains") or []) if s12 else "—", + "water_removed": ( + f"{s14.get('water_count', '—')} 個" if s14 else "—" + ), + "receptor_rel": "protein/receptor.pdbqt" if rp.is_file() else "—", + "engine_c": (s19 or {}).get("engine") or "—", + "flags": (prep or {}).get("flags") if prep else [], + } + return out + + +def _run_subprocess(argv: list[str], cwd: Path) -> tuple[int, str]: + try: + r = subprocess.run( + argv, + cwd=str(cwd), + capture_output=True, + text=True, + encoding="utf-8", + errors="replace", + timeout=3600, + env=subprocess_env(), + ) + except subprocess.TimeoutExpired: + return -1, "subprocess timeout (3600s)" + except OSError as e: + return -1, str(e) + out = (r.stdout or "") + ("\n" if r.stdout and r.stderr else "") + (r.stderr or "") + return r.returncode, out.strip() or f"(exit {r.returncode})" + + +class Handler(BaseHTTPRequestHandler): + def log_message(self, fmt: str, *args: Any) -> None: + sys.stderr.write(f"[molgate-m3] {args[0]}\n") + + def _send(self, code: int, body: bytes, content_type: str) -> None: + self.send_response(code) + self.send_header("Content-Type", content_type) + self.send_header("Content-Length", str(len(body))) + send_cors_headers(self) + self.end_headers() + self.wfile.write(body) + + def do_OPTIONS(self) -> None: + self.send_response(204) + send_cors_headers(self) + self.end_headers() + + def _send_json(self, code: int, obj: Any) -> None: + data = json.dumps(obj, ensure_ascii=False).encode("utf-8") + self._send(code, data, "application/json; charset=utf-8") + + def do_GET(self) -> None: + parsed = urllib.parse.urlparse(self.path) + path = parsed.path + + if path in ("/", "/molgate_module3_panel.html"): + if not _PANEL.is_file(): + self._send(404, b"panel html missing", "text/plain; charset=utf-8") + return + body = _PANEL.read_bytes() + self._send(200, body, "text/html; charset=utf-8") + return + + static = read_static_asset(path) + if static: + body, ctype = static + self._send(200, body, ctype) + return + + if path == "/api/status": + qs = urllib.parse.parse_qs(parsed.query) + sid = (qs.get("session") or [""])[0] + self._send_json(200, build_status(sid)) + return + + if path == "/api/sessions": + if not _SESSIONS.is_dir(): + self._send_json(200, {"ok": True, "sessions": []}) + return + dirs = sorted( + p.name for p in _SESSIONS.iterdir() if p.is_dir() and _SESSION_ID_RE.match(p.name) + ) + self._send_json(200, {"ok": True, "sessions": dirs}) + return + + if path == "/api/stage15/detect": + qs = urllib.parse.parse_qs(parsed.query) + sid = (qs.get("session") or [""])[0].strip() + target = (qs.get("target") or [""])[0].strip() + sd = _safe_session_dir(sid) + if not sd: + self._send_json(400, {"ok": False, "error": "invalid or missing session id"}) + return + if not target: + self._send_json(400, {"ok": False, "error": "missing target"}) + return + try: + from molgate_module3_engineB import detect_stage15_from_session + + result = detect_stage15_from_session(sd, target) + except Exception as e: + self._send_json(400, {"ok": False, "error": str(e)}) + return + self._send_json(200, result) + return + + if path == "/api/llm/config": + self._send_json(200, llm_public_config()) + return + + self._send(404, b"not found", "text/plain; charset=utf-8") + + def _handle_llm_chat(self, payload: dict[str, Any]) -> None: + stream = bool(payload.get("stream", True)) + try: + if not stream: + code, body = llm_chat_json(payload) + self._send_json(code, body) + return + except ValueError as e: + self._send_json(400, {"ok": False, "error": str(e)}) + return + + self.send_response(200) + self.send_header("Content-Type", "text/event-stream; charset=utf-8") + self.send_header("Cache-Control", "no-cache") + self.send_header("X-Accel-Buffering", "no") + send_cors_headers(self) + self.end_headers() + try: + for chunk in llm_chat_stream(payload): + self.wfile.write(chunk) + self.wfile.flush() + except ValueError as e: + err = json.dumps({"error": str(e)}, ensure_ascii=False).encode("utf-8") + self.wfile.write(b"data: " + err + b"\n\n") + self.wfile.flush() + + def do_POST(self) -> None: + parsed = urllib.parse.urlparse(self.path) + length = int(self.headers.get("Content-Length") or 0) + raw = self.rfile.read(length) if length else b"{}" + try: + payload = json.loads(raw.decode("utf-8")) + except json.JSONDecodeError: + self._send_json(400, {"ok": False, "error": "invalid JSON"}) + return + + if parsed.path in ("/api/llm/chat", "/api/ollama/chat"): + self._handle_llm_chat(payload) + return + + if parsed.path != "/api/run": + self._send(404, b"not found", "text/plain; charset=utf-8") + return + + engine = (payload.get("engine") or "").lower().strip() + session_id = (payload.get("session") or "").strip() + target = (payload.get("target") or "").strip() + sd = _safe_session_dir(session_id) + if not sd: + self._send_json(400, {"ok": False, "error": "invalid or missing session id"}) + return + if not target: + self._send_json(400, {"ok": False, "error": "missing target"}) + return + + py = sys.executable + cwd = _PKG_ROOT + + if engine == "a": + argv = [ + py, + str(_PKG_ROOT / "molgate_module3_engineA.py"), + "--session-dir", + str(sd), + "--target", + target, + ] + elif engine == "b": + stage15_keep = payload.get("stage15_keep") + stage15_confirmed = bool(payload.get("stage15_confirmed")) + stage15_mode = (payload.get("stage15_mode") or "").strip() + try: + from molgate_module3_engineB import detect_stage15_from_session + + det = detect_stage15_from_session(sd, target) + except Exception as e: + self._send_json(400, {"ok": False, "error": str(e)}) + return + needs_confirm = bool(det.get("needs_confirm")) + if needs_confirm: + if not stage15_confirmed or stage15_mode not in ("pick", "remove_all"): + self._send_json(400, {"ok": False, "error": "請按「逐一挑選」或「全部刪除」"}) + return + if stage15_mode == "remove_all": + stage15_keep = [] + elif not isinstance(stage15_keep, list): + self._send_json(400, {"ok": False, "error": "逐一挑選未完成"}) + return + keep_path = sd / "_ui_stage15_keep.json" + if needs_confirm and isinstance(stage15_keep, list): + keep_path.write_text( + json.dumps(stage15_keep, ensure_ascii=False, indent=2), + encoding="utf-8", + ) + (sd / "_ui_stage15_confirmed.json").write_text( + json.dumps( + { + "confirmed": True, + "mode": stage15_mode, + "keep": stage15_keep, + "count_detected": det.get("count", 0), + }, + ensure_ascii=False, + indent=2, + ), + encoding="utf-8", + ) + elif not needs_confirm: + for stale in (keep_path, sd / "_ui_stage15_confirmed.json"): + if stale.is_file(): + stale.unlink() + argv = [ + py, + str(_PKG_ROOT / "molgate_module3_engineB.py"), + "--session-dir", + str(sd), + "--target", + target, + "--non-interactive", + ] + if needs_confirm: + argv += ["--het-keep-json", str(keep_path)] + elif engine == "c": + eng = (payload.get("engine_c") or "auto").strip() + if eng not in ("auto", "obabel", "meeko"): + eng = "auto" + argv = [ + py, + str(_PKG_ROOT / "molgate_module3_engineC.py"), + "--session-dir", + str(sd), + "--target", + target, + "--engine", + eng, + ] + else: + self._send_json(400, {"ok": False, "error": "engine must be a, b, or c"}) + return + + code, output = _run_subprocess(argv, cwd) + if engine == "a" and code == 0 and sd: + _invalidate_after_engine_a(sd) + status = build_status(session_id) + self._send_json( + 200, + { + "ok": code == 0, + "returncode": code, + "output": output, + "status": status, + }, + ) + + +def main() -> None: + import argparse + + load_env_file() + ensure_api_keys_loaded() + ap = argparse.ArgumentParser(description="MolGate Module 3 panel server") + ap.add_argument("--host", default="127.0.0.1") + ap.add_argument("--port", type=int, default=8765) + args = ap.parse_args() + httpd = HTTPServer((args.host, args.port), Handler) + print(f"MolGate Module 3 panel → http://{args.host}:{args.port}/") + print("LLM 代理 → DeepSeek（設 DEEPSEEK_API_KEY；LLM_PROVIDER=ollama 可改回本機 Ollama）") + print("按 Ctrl+C 結束") + try: + httpd.serve_forever() + except KeyboardInterrupt: + print("\n已停止") + + +if __name__ == "__main__": + main() diff --git a/servers/module4_server.py b/servers/module4_server.py new file mode 100644 index 0000000000000000000000000000000000000000..d9e88feb1597cb08aebe812635b631dcee828480 --- /dev/null +++ b/servers/module4_server.py @@ -0,0 +1,411 @@ +""" +MolGate — Module 4 本機面板後端（方向 2） +- 提供靜態 molgate_module4_panel.html +- GET /api/module4/status?session=… 讀 stage_21/22/23、pocket_config +- POST /api/module4/run-engine-a subprocess Engine A +- POST /api/module4/run-engine-b subprocess Engine B（可 non_interactive） +- POST /api/module4/confirm-ligand UI 人機選配體 → stage_22 +- POST /api/module4/run-engine-c subprocess Engine C（Stage 23） + +使用方式（在 MolGate 目錄）： + py -3 molgate_module4_server.py +瀏覽器：http://127.0.0.1:8766/?session=你的16位hex&target=COX2 +""" + +from __future__ import annotations + +import json +import re +import subprocess +import sys +import urllib.parse +from http.server import BaseHTTPRequestHandler, HTTPServer +from pathlib import Path +from typing import Any + +_UI = Path(__file__).resolve().parents[1] +if str(_UI) not in sys.path: + sys.path.insert(0, str(_UI)) +from molgate_ui.console_utf8 import subprocess_env +from molgate_ui.llm_proxy import llm_chat_json, llm_chat_stream, llm_public_config +from molgate_ui.ai_keys import ensure_api_keys_loaded +from molgate_ui.paths import load_env_file +from molgate_ui.server_paths import ( # noqa: E402 + _PKG_ROOT, + _SESSIONS, + UI_M4_PANEL as _PANEL, + MOLGATE_JS as _SHARED_JS, + read_static_asset, + send_cors_headers, +) + +if str(_PKG_ROOT) not in sys.path: + sys.path.insert(0, str(_PKG_ROOT)) + +_SESSION_ID_RE = re.compile(r"^[a-fA-F0-9]{16}$") + + +def _read_json(p: Path) -> dict[str, Any] | None: + if not p.is_file(): + return None + try: + return json.loads(p.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + return None + + +def _safe_session_dir(session_id: str) -> Path | None: + sid = (session_id or "").strip() + if not sid or not _SESSION_ID_RE.match(sid): + return None + p = (_SESSIONS / sid).resolve() + try: + p.relative_to(_SESSIONS.resolve()) + except ValueError: + return None + return p if p.is_dir() else None + + +def _run_subprocess(argv: list[str], cwd: Path) -> tuple[int, str]: + try: + r = subprocess.run( + argv, + cwd=str(cwd), + capture_output=True, + text=True, + encoding="utf-8", + errors="replace", + timeout=3600, + env=subprocess_env(), + ) + except subprocess.TimeoutExpired: + return -1, "subprocess timeout (3600s)" + except OSError as e: + return -1, str(e) + out = (r.stdout or "") + ("\n" if r.stdout and r.stderr else "") + (r.stderr or "") + return r.returncode, out.strip() or f"(exit {r.returncode})" + + +def build_m4_status(session_id: str) -> dict[str, Any]: + err: str | None = None + sd = _safe_session_dir(session_id) + if not session_id.strip(): + err = "請提供 session（16 位 hex）" + elif not sd: + err = f"找不到 session：{session_id!r}" + + base: dict[str, Any] = { + "ok": sd is not None, + "error": err, + "session_id": session_id.strip() if session_id else "", + "session_dir_abs": str(sd.resolve()) if sd else "", + "target": "", + "pdb_id": "", + "prep_ready": False, + "engine_a": {"complete": False, "summary": "", "status": "", "raw": None}, + "engine_b": {"complete": False, "summary": "", "status": "", "raw": None}, + "engine_c": {"complete": False, "summary": "", "raw": None, "pocket_config": None}, + "candidates": [], + "cli": {"engine_b": "", "engine_c": "", "chdir": str(_PKG_ROOT.resolve())}, + } + if not sd: + return base + + meta = _read_json(sd / "session_meta.json") + prep = _read_json(sd / "prep_decisions.json") + target = ( + (prep or {}).get("target") + or (meta or {}).get("target") + or "" + ) + if isinstance(target, str): + target = target.strip() + pdb_id = ( + (prep or {}).get("pdb_id") + or (meta or {}).get("pdb_id") + or "" + ) + if isinstance(pdb_id, str): + pdb_id = pdb_id.strip().upper() + + base["target"] = target or "" + base["pdb_id"] = pdb_id or "" + base["prep_ready"] = bool(prep and prep.get("ready_for_engine_e")) + + s21 = _read_json(sd / "stage_21_hetatm.json") + base["engine_a"]["raw"] = s21 + if s21: + nc = s21.get("candidate_count", 0) + st = (s21.get("status") or "").upper() + base["engine_a"]["summary"] = f"{nc} candidates · {st}" if st else str(nc) + base["engine_a"]["status"] = st + base["engine_a"]["complete"] = True + base["candidates"] = s21.get("candidates") or [] + else: + base["engine_a"]["summary"] = "—" + base["candidates"] = [] + + s22 = _read_json(sd / "stage_22_ligand.json") + base["engine_b"]["raw"] = s22 + if s22 and s22.get("ready_for_engine_c"): + het = s22.get("selected_het_id", "—") + ch = s22.get("chain", "") + rs = s22.get("resseq", "") + st = (s22.get("status") or "").upper() + base["engine_b"]["summary"] = f"{het} chain {ch} res {rs}" + base["engine_b"]["status"] = st + base["engine_b"]["complete"] = True + else: + base["engine_b"]["summary"] = "—" + + s23 = _read_json(sd / "stage_23_pocket_center.json") + pc = _read_json(sd / "pocket_config.json") + base["engine_c"]["raw"] = s23 + base["engine_c"]["pocket_config"] = pc + if pc and pc.get("ready_for_docking"): + cx, cy, cz = pc.get("center_x"), pc.get("center_y"), pc.get("center_z") + base["engine_c"]["summary"] = f"({cx}, {cy}, {cz})" + base["engine_c"]["complete"] = True + elif s23 and (s23.get("status") in ("CONFIRM", "MANUAL")): + base["engine_c"]["summary"] = ( + f"({s23.get('center_x')}, {s23.get('center_y')}, {s23.get('center_z')})" + ) + base["engine_c"]["complete"] = bool(pc and pc.get("ready_for_docking")) + else: + base["engine_c"]["summary"] = "—" + + py = sys.executable + tq = target or "YOUR_TARGET" + sd_abs = str(sd.resolve()) + base["cli"]["engine_b"] = ( + f'"{py}" "{_PKG_ROOT / "molgate_module4_engineB.py"}" ' + f'--session-dir "{sd_abs}" --target {tq}' + ) + base["cli"]["engine_c"] = ( + f'"{py}" "{_PKG_ROOT / "molgate_module4_engineC.py"}" ' + f'--session-dir "{sd_abs}" --target {tq}' + ) + + return base + + +def _run_engine_a(sd: Path, target: str, index: str) -> tuple[int, str]: + argv = [ + sys.executable, + str(_PKG_ROOT / "molgate_module4_engineA.py"), + "--session-dir", + str(sd), + ] + if target: + argv.extend(["--target", target]) + if index: + argv.extend(["--index", index]) + return _run_subprocess(argv, _PKG_ROOT) + + +def _run_engine_b(sd: Path, target: str, *, non_interactive: bool = False) -> tuple[int, str]: + argv = [ + sys.executable, + str(_PKG_ROOT / "molgate_module4_engineB.py"), + "--session-dir", + str(sd), + "--target", + target, + ] + if non_interactive: + argv.append("--non-interactive") + return _run_subprocess(argv, _PKG_ROOT) + + +def _run_engine_c(sd: Path, target: str, *, non_interactive: bool = True) -> tuple[int, str]: + argv = [ + sys.executable, + str(_PKG_ROOT / "molgate_module4_engineC.py"), + "--session-dir", + str(sd), + "--target", + target, + ] + if non_interactive: + argv.append("--non-interactive") + return _run_subprocess(argv, _PKG_ROOT) + + +def _confirm_ligand_via_api(sd: Path, target: str, selected: dict[str, Any]) -> tuple[int, str]: + pick_path = sd / "_ui_stage22_pick.json" + try: + pick_path.write_text(json.dumps(selected, ensure_ascii=False), encoding="utf-8") + argv = [ + sys.executable, + str(_PKG_ROOT / "molgate_module4_engineB.py"), + "--session-dir", + str(sd), + "--target", + target, + "--selected-json", + str(pick_path), + ] + return _run_subprocess(argv, _PKG_ROOT) + except OSError as e: + return 1, str(e) + finally: + try: + pick_path.unlink(missing_ok=True) + except OSError: + pass + + +class Handler(BaseHTTPRequestHandler): + def log_message(self, fmt: str, *args: Any) -> None: + sys.stderr.write(f"[molgate-m4] {args[0]}\n") + + def _send(self, code: int, body: bytes, content_type: str) -> None: + self.send_response(code) + self.send_header("Content-Type", content_type) + self.send_header("Content-Length", str(len(body))) + send_cors_headers(self) + self.end_headers() + self.wfile.write(body) + + def do_OPTIONS(self) -> None: + self.send_response(204) + send_cors_headers(self) + self.end_headers() + + def _send_json(self, code: int, obj: Any) -> None: + data = json.dumps(obj, ensure_ascii=False).encode("utf-8") + self._send(code, data, "application/json; charset=utf-8") + + def do_GET(self) -> None: + parsed = urllib.parse.urlparse(self.path) + path = parsed.path + + if path in ("/", "/molgate_module4_panel.html"): + if not _PANEL.is_file(): + self._send(404, b"panel html missing", "text/plain; charset=utf-8") + return + self._send(200, _PANEL.read_bytes(), "text/html; charset=utf-8") + return + + static = read_static_asset(path) + if static: + body, ctype = static + self._send(200, body, ctype) + return + + if path in ("/api/module4/status", "/api/status"): + qs = urllib.parse.parse_qs(parsed.query) + sid = (qs.get("session") or [""])[0] + self._send_json(200, build_m4_status(sid)) + return + + if path == "/api/llm/config": + self._send_json(200, llm_public_config()) + return + + self._send(404, b"not found", "text/plain; charset=utf-8") + + def _handle_llm_chat(self, payload: dict[str, Any]) -> None: + stream = bool(payload.get("stream", True)) + try: + if not stream: + code, body = llm_chat_json(payload) + self._send_json(code, body) + return + except ValueError as e: + self._send_json(400, {"ok": False, "error": str(e)}) + return + + self.send_response(200) + self.send_header("Content-Type", "text/event-stream; charset=utf-8") + self.send_header("Cache-Control", "no-cache") + self.send_header("X-Accel-Buffering", "no") + send_cors_headers(self) + self.end_headers() + try: + for chunk in llm_chat_stream(payload): + self.wfile.write(chunk) + self.wfile.flush() + except ValueError as e: + err = json.dumps({"error": str(e)}, ensure_ascii=False).encode("utf-8") + self.wfile.write(b"data: " + err + b"\n\n") + self.wfile.flush() + + def do_POST(self) -> None: + parsed = urllib.parse.urlparse(self.path) + length = int(self.headers.get("Content-Length") or 0) + raw = self.rfile.read(length) if length else b"{}" + try: + payload = json.loads(raw.decode("utf-8")) + except json.JSONDecodeError: + self._send_json(400, {"ok": False, "error": "invalid JSON"}) + return + + if parsed.path in ("/api/llm/chat", "/api/ollama/chat"): + self._handle_llm_chat(payload) + return + + session_id = (payload.get("session") or "").strip() + sd = _safe_session_dir(session_id) + if not sd: + self._send_json(400, {"ok": False, "error": "invalid or missing session id"}) + return + + target = (payload.get("target") or "").strip() + if not target: + st = build_m4_status(session_id) + target = (st.get("target") or "").strip() + if not target: + self._send_json(400, {"ok": False, "error": "missing target"}) + return + + if parsed.path == "/api/module4/run-engine-a": + index = (payload.get("index") or "").strip() + code, output = _run_engine_a(sd, target, index) + elif parsed.path == "/api/module4/run-engine-b": + code, output = _run_engine_b(sd, target, non_interactive=bool(payload.get("non_interactive"))) + elif parsed.path == "/api/module4/confirm-ligand": + selected = payload.get("selected") + if not isinstance(selected, dict): + self._send_json(400, {"ok": False, "error": "missing selected ligand"}) + return + code, output = _confirm_ligand_via_api(sd, target, selected) + elif parsed.path == "/api/module4/run-engine-c": + code, output = _run_engine_c(sd, target, non_interactive=bool(payload.get("non_interactive", True))) + else: + self._send(404, b"not found", "text/plain; charset=utf-8") + return + + status = build_m4_status(session_id) + self._send_json( + 200, + { + "ok": code == 0, + "returncode": code, + "log": output, + "status": status, + }, + ) + + +def main() -> None: + import argparse + + load_env_file() + ensure_api_keys_loaded() + ap = argparse.ArgumentParser(description="MolGate Module 4 panel server") + ap.add_argument("--host", default="127.0.0.1") + ap.add_argument("--port", type=int, default=8766) + args = ap.parse_args() + httpd = HTTPServer((args.host, args.port), Handler) + print(f"MolGate Module 4 panel → http://{args.host}:{args.port}/") + print("範例：http://127.0.0.1:8766/?session=你的session&target=COX2") + print("按 Ctrl+C 結束") + try: + httpd.serve_forever() + except KeyboardInterrupt: + print("\n已停止") + + +if __name__ == "__main__": + main() diff --git a/servers/module5_server.py b/servers/module5_server.py new file mode 100644 index 0000000000000000000000000000000000000000..105cca2ccc968e211b929b3d1726a91c838596df --- /dev/null +++ b/servers/module5_server.py @@ -0,0 +1,348 @@ +""" +MolGate — Module 5 本機面板後端 +- 提供靜態 molgate_module5_panel.html +- GET /api/module5/status?session=… +- POST /api/module5/run-engine-a +- POST /api/module5/run-engine-b + +使用方式（在 MolGate 目錄）: + py -3 molgate_module5_server.py +瀏覽器: + http://127.0.0.1:8767/?session=你的16位hex&target=COX2 +""" + +from __future__ import annotations + +import json +import re +import subprocess +import sys +import urllib.parse +from http.server import BaseHTTPRequestHandler, HTTPServer +from pathlib import Path +from typing import Any + +_UI = Path(__file__).resolve().parents[1] +if str(_UI) not in sys.path: + sys.path.insert(0, str(_UI)) +from molgate_ui.console_utf8 import subprocess_env +from molgate_ui.llm_proxy import llm_chat_json, llm_chat_stream, llm_public_config +from molgate_ui.ai_keys import ensure_api_keys_loaded +from molgate_ui.paths import MASTER_INDEX, load_env_file, resolve_vina_bin +from molgate_ui.server_paths import ( # noqa: E402 + _PKG_ROOT, + _SESSIONS, + UI_M5_PANEL as _PANEL, + MOLGATE_JS as _SHARED_JS, + read_static_asset, + send_cors_headers, +) +_SESSION_ID_RE = re.compile(r"^[a-fA-F0-9]{16}$") + + +def _read_json(p: Path) -> dict[str, Any] | None: + if not p.is_file(): + return None + try: + return json.loads(p.read_text(encoding="utf-8")) + except (json.JSONDecodeError, OSError): + return None + + +def _safe_session_dir(session_id: str) -> Path | None: + sid = (session_id or "").strip() + if not sid or not _SESSION_ID_RE.match(sid): + return None + p = (_SESSIONS / sid).resolve() + try: + p.relative_to(_SESSIONS.resolve()) + except ValueError: + return None + return p if p.is_dir() else None + + +def _run_subprocess(argv: list[str], cwd: Path) -> tuple[int, str]: + try: + r = subprocess.run( + argv, + cwd=str(cwd), + capture_output=True, + text=True, + encoding="utf-8", + errors="replace", + timeout=3600, + env=subprocess_env(), + ) + except subprocess.TimeoutExpired: + return -1, "subprocess timeout (3600s)" + except OSError as e: + return -1, str(e) + out = (r.stdout or "") + ("\n" if r.stdout and r.stderr else "") + (r.stderr or "") + return r.returncode, out.strip() or f"(exit {r.returncode})" + + +def _resolve_session_drug(sd: Path, target: str, dr: dict[str, Any] | None) -> str: + if dr and dr.get("target_drug"): + return str(dr["target_drug"]).strip() + for fname in ("session_index.json", "stage_03_index.json"): + j = _read_json(sd / fname) + if j and j.get("target_drug"): + return str(j["target_drug"]).strip() + tgt = (target or "").strip().upper() + if tgt and MASTER_INDEX.is_file(): + try: + entries = json.loads(MASTER_INDEX.read_text(encoding="utf-8")) + entry = entries.get(tgt) or entries.get(target.strip()) + if isinstance(entry, dict) and entry.get("target_drug"): + return str(entry["target_drug"]).strip() + except (json.JSONDecodeError, OSError): + pass + return "" + + +def build_m5_status(session_id: str) -> dict[str, Any]: + err: str | None = None + sd = _safe_session_dir(session_id) + if not session_id.strip(): + err = "請提供 session（16 位 hex）" + elif not sd: + err = f"找不到 session：{session_id!r}" + + base: dict[str, Any] = { + "ok": sd is not None, + "error": err, + "session_id": session_id.strip() if session_id else "", + "session_dir_abs": str(sd.resolve()) if sd else "", + "target": "", + "pdb_id": "", + "drug": "", + "engine_a": {"complete": False, "summary": "", "status": "", "raw24": None, "raw25": None, "raw26": None}, + "engine_b": {"complete": False, "summary": "", "status": "", "raw27": None}, + "docking_result": None, + "final_report": None, + "vina_bin": "", + "vina_ready": False, + } + vina = resolve_vina_bin() + base["vina_bin"] = vina or "" + base["vina_ready"] = bool(vina) + if not sd: + return base + + meta = _read_json(sd / "session_meta.json") + dr = _read_json(sd / "docking_result.json") + fr = _read_json(sd / "final_report.json") + s24 = _read_json(sd / "stage_24_vina.json") + s25 = _read_json(sd / "stage_25_qc.json") + s26 = _read_json(sd / "stage_26_result.json") + s27 = _read_json(sd / "stage_27_review.json") + + target = (dr or {}).get("target") or (meta or {}).get("target") or "" + pdb_id = (dr or {}).get("pdb_id") or (meta or {}).get("pdb_id") or "" + + base["target"] = str(target).strip() + base["pdb_id"] = str(pdb_id).strip().upper() + base["drug"] = _resolve_session_drug(sd, base["target"], dr) if sd else "" + + base["docking_result"] = dr + base["final_report"] = fr + base["engine_a"]["raw24"] = s24 + base["engine_a"]["raw25"] = s25 + base["engine_a"]["raw26"] = s26 + base["engine_b"]["raw27"] = s27 + + if dr and dr.get("ready_for_review"): + aff = dr.get("best_affinity") + tier = dr.get("confidence_tier", "") + qc = "PASS" if dr.get("qc_pass") else "WARN" + base["engine_a"]["summary"] = f"{aff} kcal/mol · tier {tier} · {qc}" + base["engine_a"]["status"] = "PASS" if dr.get("qc_pass") else "WARN" + base["engine_a"]["complete"] = True + + if s27: + dec = str(s27.get("decision") or s27.get("status") or "").upper() + base["engine_b"]["summary"] = dec or "—" + base["engine_b"]["status"] = dec or "" + base["engine_b"]["complete"] = dec == "ACCEPT" + + return base + + +class Handler(BaseHTTPRequestHandler): + def log_message(self, fmt: str, *args: Any) -> None: + sys.stderr.write(f"[molgate-m5] {args[0]}\n") + + def _send(self, code: int, body: bytes, content_type: str) -> None: + self.send_response(code) + self.send_header("Content-Type", content_type) + self.send_header("Content-Length", str(len(body))) + send_cors_headers(self) + self.end_headers() + self.wfile.write(body) + + def do_OPTIONS(self) -> None: + self.send_response(204) + send_cors_headers(self) + self.end_headers() + + def _send_json(self, code: int, obj: Any) -> None: + data = json.dumps(obj, ensure_ascii=False).encode("utf-8") + self._send(code, data, "application/json; charset=utf-8") + + def do_GET(self) -> None: + parsed = urllib.parse.urlparse(self.path) + path = parsed.path + + if path in ("/", "/molgate_module5_panel.html"): + if not _PANEL.is_file(): + self._send(404, b"panel html missing", "text/plain; charset=utf-8") + return + self._send(200, _PANEL.read_bytes(), "text/html; charset=utf-8") + return + + static = read_static_asset(path) + if static: + body, ctype = static + self._send(200, body, ctype) + return + + if path in ("/api/module5/status", "/api/status"): + qs = urllib.parse.parse_qs(parsed.query) + sid = (qs.get("session") or [""])[0] + self._send_json(200, build_m5_status(sid)) + return + + if path == "/api/llm/config": + self._send_json(200, llm_public_config()) + return + + self._send(404, b"not found", "text/plain; charset=utf-8") + + def _handle_llm_chat(self, payload: dict[str, Any]) -> None: + stream = bool(payload.get("stream", True)) + try: + if not stream: + code, body = llm_chat_json(payload) + self._send_json(code, body) + return + except ValueError as e: + self._send_json(400, {"ok": False, "error": str(e)}) + return + + self.send_response(200) + self.send_header("Content-Type", "text/event-stream; charset=utf-8") + self.send_header("Cache-Control", "no-cache") + self.send_header("X-Accel-Buffering", "no") + send_cors_headers(self) + self.end_headers() + try: + for chunk in llm_chat_stream(payload): + self.wfile.write(chunk) + self.wfile.flush() + except ValueError as e: + err = json.dumps({"error": str(e)}, ensure_ascii=False).encode("utf-8") + self.wfile.write(b"data: " + err + b"\n\n") + self.wfile.flush() + + def do_POST(self) -> None: + parsed = urllib.parse.urlparse(self.path) + length = int(self.headers.get("Content-Length") or 0) + raw = self.rfile.read(length) if length else b"{}" + try: + payload = json.loads(raw.decode("utf-8")) + except json.JSONDecodeError: + self._send_json(400, {"ok": False, "error": "invalid JSON"}) + return + + if parsed.path in ("/api/llm/chat", "/api/ollama/chat"): + self._handle_llm_chat(payload) + return + + session_id = (payload.get("session") or "").strip() + sd = _safe_session_dir(session_id) + if not sd: + self._send_json(400, {"ok": False, "error": "invalid or missing session id"}) + return + + if parsed.path == "/api/module5/run-engine-a": + target = (payload.get("target") or "").strip() + vina_bin = (payload.get("vina_bin") or "").strip() or (resolve_vina_bin() or "") + if not vina_bin: + status = build_m5_status(session_id) + self._send_json( + 200, + { + "ok": False, + "returncode": 1, + "log": ( + "找不到 AutoDock Vina。請將 vina.exe 放到 moltgate_UI/tools/vina/，" + "或設定 MOLGATE_VINA_BIN，或用 UI 指定 --vina-bin 路徑。" + ), + "status": status, + }, + ) + return + argv = [ + sys.executable, + str(_PKG_ROOT / "molgate_module5_engineA.py"), + "--session-dir", + str(sd), + "--vina-bin", + vina_bin, + ] + if target: + argv.extend(["--target", target]) + code, output = _run_subprocess(argv, _PKG_ROOT) + status = build_m5_status(session_id) + self._send_json(200, {"ok": code == 0, "returncode": code, "log": output, "status": status}) + return + + if parsed.path == "/api/module5/run-engine-b": + decision = str(payload.get("decision") or "").strip().upper() + note = str(payload.get("note") or "").strip() + retry_module = str(payload.get("retry_module") or "").strip() + if decision not in ("ACCEPT", "RETRY", "FLAG"): + self._send_json(400, {"ok": False, "error": "decision must be ACCEPT/RETRY/FLAG"}) + return + argv = [ + sys.executable, + str(_PKG_ROOT / "molgate_module5_engineB.py"), + "--session-dir", + str(sd), + "--decision", + decision, + ] + if note: + argv.extend(["--note", note]) + if decision == "RETRY" and retry_module in ("1", "2", "3", "4", "5"): + argv.extend(["--retry-module", retry_module]) + code, output = _run_subprocess(argv, _PKG_ROOT) + status = build_m5_status(session_id) + self._send_json(200, {"ok": code == 0, "returncode": code, "log": output, "status": status}) + return + + self._send(404, b"not found", "text/plain; charset=utf-8") + + +def main() -> None: + import argparse + + load_env_file() + ensure_api_keys_loaded() + ap = argparse.ArgumentParser(description="MolGate Module 5 panel server") + ap.add_argument("--host", default="127.0.0.1") + ap.add_argument("--port", type=int, default=8767) + args = ap.parse_args() + httpd = HTTPServer((args.host, args.port), Handler) + print(f"MolGate Module 5 panel → http://{args.host}:{args.port}/") + print("範例：http://127.0.0.1:8767/?session=你的session&target=COX2") + print("按 Ctrl+C 結束") + try: + httpd.serve_forever() + except KeyboardInterrupt: + print("\n已停止") + + +if __name__ == "__main__": + main() + diff --git a/ui/assets/molgate.css b/ui/assets/molgate.css new file mode 100644 index 0000000000000000000000000000000000000000..40a1746b6f2b31662cff361cee1fc4c1f2387187 --- /dev/null +++ b/ui/assets/molgate.css @@ -0,0 +1,215 @@ +/* CreaDrug Platform · DrugOps dual-color logo */ +.molgate-logo { + display: flex; + flex-direction: column; + gap: 6px; + flex-shrink: 0; +} + +.molgate-logo-main { + font-family: 'IBM Plex Mono', monospace; + font-size: 52px; + font-weight: 800; + line-height: 1; + letter-spacing: -0.03em; + display: flex; + align-items: baseline; +} + +.logo-mol { + color: #4a9eff !important; + font-weight: 800 !important; +} + +.logo-gate { + color: #2dd4bf !important; + font-weight: 800 !important; +} + +html[data-theme="light"] .logo-mol { + color: #2563eb !important; +} + +html[data-theme="light"] .logo-gate { + color: #0d9488 !important; +} + +.logo-sub { + font-family: 'IBM Plex Mono', monospace; + font-size: 17px; + color: var(--text3); + font-weight: 400; + line-height: 1.3; +} + +.mg-toolbar { + display: flex; + align-items: center; + gap: 8px; + flex-wrap: wrap; +} + +.nav-btn { + font-family: 'IBM Plex Mono', monospace; + font-size: 13px; + font-weight: 600; + padding: 6px 12px; + border-radius: 6px; + border: 1px solid var(--border2); + background: var(--surface2); + color: var(--text2); + cursor: pointer; +} + +.nav-btn:hover:not(:disabled) { + background: var(--blue-dim); + color: var(--blue); + border-color: var(--blue); +} + +.nav-btn:disabled { + opacity: 0.35; + cursor: not-allowed; +} + +/* ══ Module 1–5 統一頂部 chrome ══ */ +body[data-molgate-module] { + min-height: 100vh; + display: flex; + flex-direction: column; +} + +.mg-top-bar { + display: flex; + align-items: center; + justify-content: flex-end; + padding: 0.5rem 2rem; + border-bottom: 1px solid var(--border, #2a2f42); + background: var(--bg, #0d0f12); + flex-shrink: 0; + width: 100%; +} + +.mg-top-bar .mg-toolbar { + justify-content: flex-end; +} + +.mg-chrome { + flex-shrink: 0; + width: 100%; + border-bottom: 1px solid var(--border, #2a2f42); +} + +.mg-chrome > .header { + padding: 1.15rem 2rem 0.35rem; + border-bottom: none; + display: flex; + align-items: flex-start; +} + +.mg-chrome > .header-meta { + padding: 0 2rem 0.75rem; + border-bottom: none; + display: flex; + flex-wrap: wrap; + gap: 8px; + align-items: center; + font-family: 'IBM Plex Mono', monospace; + font-size: 15px; + color: var(--text3, #545d78); + line-height: 1.6; +} + +.mg-chrome > .header-meta.session-info { + flex-direction: column; + align-items: flex-start; + gap: 2px; +} + +.mg-chrome > .header-meta b { + color: var(--text2, #8890aa); +} + +.mg-chrome > .header-meta:empty { + display: none; + padding: 0; + border-bottom: none; +} + +.mg-module-stepper { + display: flex; + align-items: center; + gap: 4px; +} + +.mg-step { + font-family: 'IBM Plex Mono', monospace; + font-size: 12px; + font-weight: 600; + padding: 4px 8px; + border-radius: 5px; + border: 1px solid var(--border2, #363d55); + background: transparent; + color: var(--text3, #545d78); + text-decoration: none; +} + +.mg-step:hover { + color: var(--blue, #4a9eff); + border-color: var(--blue, #4a9eff); + background: var(--blue-dim, #1a3a6e); +} + +.mg-step.active { + color: var(--blue, #4a9eff); + border-color: var(--blue, #4a9eff); + background: var(--blue-dim, #1a3a6e); +} + +.theme-btns, +.lang-btns { + display: flex; + gap: 4px; +} + +.theme-btn, +.lang-btn { + font-family: 'IBM Plex Mono', monospace; + font-size: 14px; + padding: 3px 10px; + border-radius: 4px; + border: 1px solid var(--border2, #363d55); + background: transparent; + color: var(--text3, #545d78); + cursor: pointer; +} + +.theme-btn.active, +.lang-btn.active { + background: var(--blue-dim, #1a3a6e); + color: var(--blue, #4a9eff); + border-color: var(--blue, #4a9eff); +} + +.session-pill { + font-family: 'IBM Plex Mono', monospace; + font-size: 13px; + padding: 3px 8px; + border-radius: 4px; + background: var(--surface2, #1c2030); + color: var(--text3, #545d78); + border: 1px solid var(--border, #2a2f42); +} + +/* ══ Engine 卡片：全部展開，執行鈕在 log 上方 ══ */ +.engine .engine-body { + display: block !important; +} + +.engine .engine-chevron { + display: none !important; +} + +.engine > .engine-header { + cursor: default; +} diff --git a/ui/assets/molgate.js b/ui/assets/molgate.js new file mode 100644 index 0000000000000000000000000000000000000000..e069f7a2fb5061d3579cd5c2039afd9a803970b8 --- /dev/null +++ b/ui/assets/molgate.js @@ -0,0 +1,297 @@ +(function () { + var HOST = window.MOLGATE_HOST || '127.0.0.1'; + var GATEWAY_PORT = parseInt( + window.MOLGATE_GATEWAY_PORT || (location.port || '') || '8780', + 10 + ); + var PORTS = { 3: 8765, 4: 8766, 5: 8767 }; + var THEME_KEY = 'molgate-theme'; + var LANG_KEY = 'molgate-lang'; + var IS_FILE = location.protocol === 'file:'; + window.MOLGATE_IS_FILE = IS_FILE; + + var FILE_PANELS = { + 1: '../m1/module1_panel.html', + 2: '../m2/module2_panel.html', + 3: '../m3/module3_panel.html', + 4: '../m4/module4_panel.html', + 5: '../m5/module5_panel.html', + }; + + function qsAppend(base, queryString) { + var qs = queryString ? (queryString.charAt(0) === '?' ? queryString : '?' + queryString) : ''; + return base + qs; + } + + window.molgateHomeUrl = function () { + if (IS_FILE) return '../../index.html'; + return '/'; + }; + + window.molgateNavHome = function () { + location.href = molgateHomeUrl(); + }; + + window.molgateModuleUrl = function (num, queryString) { + if (IS_FILE && FILE_PANELS[num]) return qsAppend(FILE_PANELS[num], queryString); + if (num >= 1 && num <= 5) return qsAppend('/module/' + num, queryString); + return qsAppend('/', queryString); + }; + + window.molgateApiBase = function () { + if (window.MOLGATE_API_BASE) return String(window.MOLGATE_API_BASE).replace(/\/$/, ''); + if (!IS_FILE) return location.origin; + return ''; + }; + + window.molgateCreadrugShowboardBase = function () { + if (window.MOLGATE_CREADRUG_URL) return String(window.MOLGATE_CREADRUG_URL); + if (IS_FILE) return '../../../CreaDrug24/creadrug_showboard_24.html'; + return 'https://stromapath.com/creadrug24/creadrug_showboard_24.html'; + }; + + window.molgateCreadrugUrl = function (opts) { + opts = opts || {}; + var view = opts.view || 'receptor'; + var sid = (opts.session || '').trim(); + var base = molgateCreadrugShowboardBase(); + var params = new URLSearchParams({ view: view, src: 'molgate' }); + if (sid) params.set('session', sid); + if (opts.target) params.set('target', opts.target); + if (opts.caseId) params.set('case', opts.caseId); + var api = opts.api != null ? opts.api : molgateApiBase(); + if (api) params.set('api', api); + var sep = base.indexOf('?') >= 0 ? '&' : '?'; + return base + sep + params.toString(); + }; + + if (!IS_FILE) { + fetch('/api/config/public') + .then(function (r) { return r.json(); }) + .then(function (j) { + if (j && j.creadrug_url) window.MOLGATE_CREADRUG_URL = j.creadrug_url; + if (j && j.api_base) window.MOLGATE_API_BASE = j.api_base; + }) + .catch(function () {}); + } + + var MODULES = [1, 2, 3, 4, 5].map(function (n) { + return { + n: n, + url: function (qs) { return molgateModuleUrl(n, qs); }, + }; + }); + + function curModule() { + if (IS_FILE) { + var p = location.pathname.replace(/\\/g, '/'); + var m = p.match(/\/m([1-5])\//); + if (m) return parseInt(m[1], 10); + } else { + var pathMatch = location.pathname.match(/\/module\/([1-5])\/?$/); + if (pathMatch) return parseInt(pathMatch[1], 10); + } + var n = parseInt(document.body.getAttribute('data-molgate-module') || '1', 10); + return isNaN(n) ? 1 : n; + } + + function readText(id) { + var el = document.getElementById(id); + if (!el) return ''; + var t = (el.value != null ? el.value : el.textContent) || ''; + t = String(t).trim(); + return t === '\u2014' ? '' : t; + } + + function queryString() { + var q = new URLSearchParams(location.search); + var session = q.get('session') || readText('sessionInput') || readText('sid') || + (window.STATE && window.STATE.session_id) || (window.M5API && window.M5API.session) || ''; + var target = q.get('target') || readText('targetInput') || readText('tgt') || + (window.STATE && window.STATE.target) || ''; + var parts = new URLSearchParams(); + if (session) parts.set('session', session); + if (target) parts.set('target', target); + return parts.toString(); + } + + function navTo(num) { + var mod = MODULES.find(function (m) { return m.n === num; }); + if (!mod) return; + location.href = mod.url(queryString()); + } + + /** M3–M5 API 一律走 gateway 同源代理（獨立包單一入口） */ + window.molgateResolveUrl = function (path) { + if (!path || /^https?:\/\//i.test(path)) return path; + var p = path.charAt(0) === '/' ? path : '/' + path; + if (!p.startsWith('/api/')) return p; + + var mod = curModule(); + if (mod >= 3) { + var proxyPath = '/api/proxy/' + mod + p; + if (IS_FILE) { + return 'http://' + HOST + ':' + GATEWAY_PORT + proxyPath; + } + return proxyPath; + } + /* M1/M2 API 在 gateway 本體；file:// 開 HTML 時須指向 gateway */ + if (IS_FILE) { + return 'http://' + HOST + ':' + GATEWAY_PORT + p; + } + return p; + }; + + window.molgateFetch = function (url, opts) { + return fetch(molgateResolveUrl(url), opts || {}); + }; + + function showFileModeBanner() { + if (!IS_FILE) return; + var id = 'mg-file-mode-banner'; + if (document.getElementById(id)) return; + var url = (location.protocol.startsWith('http') && location.port) + ? (location.origin + '/') + : ('http://' + HOST + ':' + GATEWAY_PORT + '/'); + var el = document.createElement('div'); + el.id = id; + el.setAttribute('role', 'alert'); + el.style.cssText = + 'position:fixed;z-index:99999;left:0;right:0;top:0;padding:12px 16px;' + + 'background:#7c2d12;color:#fff;font:13px/1.5 system-ui,sans-serif;text-align:center;' + + 'border-bottom:2px solid #ea580c;box-shadow:0 4px 12px rgba(0,0,0,.35);'; + el.innerHTML = + '請執行 bin\\start_all.bat，用瀏覽器開啟唯一入口 ' + url + '（勿雙擊 HTML）。'; + document.body.appendChild(el); + document.body.style.paddingTop = (parseInt(document.body.style.paddingTop, 10) || 0) + 52 + 'px'; + } + + window.molgateNavPrev = function () { + var c = curModule(); + if (c <= 1) molgateNavHome(); + else navTo(c - 1); + }; + window.molgateNavNext = function () { + var c = curModule(); + if (c < 5) navTo(c + 1); + }; + + function applyTheme(theme) { + var t = theme === 'light' ? 'light' : 'dark'; + var root = document.documentElement; + root.setAttribute('data-theme', t); + if (document.body) document.body.setAttribute('data-theme', t); + try { localStorage.setItem(THEME_KEY, t); } catch (_) {} + document.querySelectorAll('.theme-btn').forEach(function (btn) { + var bt = btn.getAttribute('data-theme'); + if (bt) btn.classList.toggle('active', bt === t); + }); + document.querySelectorAll('.ctrl-pill[id^="btn-theme-"]').forEach(function (btn) { + var bt = btn.id.indexOf('light') >= 0 ? 'light' : 'dark'; + btn.classList.toggle('active', bt === t); + }); + } + window.setTheme = applyTheme; + + function applyDataZhEn(l) { + document.querySelectorAll('[data-zh]').forEach(function (el) { + var t = el.getAttribute(l === 'zh' ? 'data-zh' : 'data-en'); + if (!t) return; + if (el.tagName === 'INPUT' || el.tagName === 'TEXTAREA') { + if (!el.dataset.mgPhLocked) el.placeholder = t; + } else { + el.textContent = t; + } + }); + } + + function applyLangUI(l) { + var lang = l === 'en' ? 'en' : 'zh'; + document.documentElement.lang = lang === 'en' ? 'en' : 'zh-Hant'; + document.querySelectorAll('.lang-btn').forEach(function (btn) { + var bl = btn.getAttribute('data-lang'); + if (bl) btn.classList.toggle('active', bl === lang); + }); + document.querySelectorAll('.ctrl-pill[id^="btn-lang-"]').forEach(function (btn) { + var bl = btn.id.indexOf('en') >= 0 ? 'en' : 'zh'; + btn.classList.toggle('active', bl === lang); + }); + applyDataZhEn(lang); + try { localStorage.setItem(LANG_KEY, lang); } catch (_) {} + if (typeof window.molgatePanelSetLang === 'function') { + window.molgatePanelSetLang(lang); + } + } + + window.molgateSetLang = function (l) { + applyLangUI(l); + }; + + function injectNavChrome() { + var bar = + document.querySelector('.mg-top-bar .mg-toolbar') || + document.querySelector('.header-controls.mg-toolbar') || + document.querySelector('.mg-toolbar'); + if (!bar || document.getElementById('mgModuleStepper')) return; + + if (!document.getElementById('mgNavHome')) { + var home = document.createElement('button'); + home.type = 'button'; + home.className = 'nav-btn'; + home.id = 'mgNavHome'; + home.setAttribute('data-zh', '首頁'); + home.setAttribute('data-en', 'Home'); + home.textContent = document.documentElement.lang === 'en' ? 'Home' : '首頁'; + home.onclick = molgateNavHome; + bar.insertBefore(home, bar.firstChild); + } + + var cur = curModule(); + var stepper = document.createElement('div'); + stepper.id = 'mgModuleStepper'; + stepper.className = 'mg-module-stepper'; + stepper.setAttribute('aria-label', 'Module navigation'); + for (var i = 1; i <= 5; i++) { + var a = document.createElement('a'); + a.href = molgateModuleUrl(i, queryString()); + a.textContent = 'M' + i; + a.className = 'mg-step' + (i === cur ? ' active' : ''); + a.title = 'Module ' + i; + stepper.appendChild(a); + } + var homeBtn = document.getElementById('mgNavHome'); + if (homeBtn && homeBtn.nextSibling) { + bar.insertBefore(stepper, homeBtn.nextSibling); + } else { + bar.appendChild(stepper); + } + + document.querySelectorAll('.molgate-logo').forEach(function (el) { + el.style.cursor = 'pointer'; + el.title = 'CreaDrug · DrugOps Home'; + el.onclick = molgateNavHome; + }); + } + + function molgateUiInit() { + showFileModeBanner(); + injectNavChrome(); + var theme = 'dark'; + var lang = 'zh'; + try { theme = localStorage.getItem(THEME_KEY) || 'dark'; } catch (_) {} + try { lang = localStorage.getItem(LANG_KEY) || 'zh'; } catch (_) {} + applyTheme(theme); + applyLangUI(lang); + var cur = curModule(); + var prev = document.getElementById('mgNavPrev'); + var next = document.getElementById('mgNavNext'); + if (prev) prev.disabled = false; + if (next) next.disabled = cur >= 5; + } + + if (document.readyState === 'loading') { + document.addEventListener('DOMContentLoaded', molgateUiInit); + } else { + molgateUiInit(); + } +})(); diff --git a/ui/assets/molgate_ai_sidebar.css b/ui/assets/molgate_ai_sidebar.css new file mode 100644 index 0000000000000000000000000000000000000000..50502967bd899c2ce593c71c867b433df6482519 --- /dev/null +++ b/ui/assets/molgate_ai_sidebar.css @@ -0,0 +1,169 @@ +/* MolGate unified AI sidebar — match Module 3 (stop / clear / stream) */ +.mg-ai-sidebar { + flex: 1; + min-width: 300px; + max-width: min(480px, 38vw); + width: 34%; + border-left: 1px solid var(--border); + background: #0a0c12; + display: flex; + flex-direction: column; + min-height: 0; +} +html[data-theme="light"] .mg-ai-sidebar { background: var(--surface); } + +.mg-ai-head { + padding: 1rem 1.15rem; + border-bottom: 1px solid var(--border); + flex-shrink: 0; +} +.mg-ai-head h2 { + font-size: 14px; + font-weight: 500; + font-family: var(--mono); + color: var(--blue); + letter-spacing: 0.06em; + margin-bottom: 0.5rem; +} +.mg-ai-opts { + margin-top: 0.65rem; + display: flex; + flex-wrap: wrap; + gap: 0.75rem; + align-items: center; + font-size: 13px; + color: var(--text2); +} +.mg-ai-opts label { display: flex; align-items: center; gap: 0.4rem; cursor: pointer; } +.mg-ai-opts input[type="checkbox"] { width: 16px; height: 16px; accent-color: var(--blue); } + +.mg-ai-scroll { + flex: 1; + overflow-y: auto; + padding: 1rem 1.15rem; + display: flex; + flex-direction: column; + gap: 0.85rem; + min-height: 120px; +} +.mg-ai-static { display: flex; flex-direction: column; gap: 0.75rem; flex-shrink: 0; } +.mg-ai-static .mg-ai-hint-box { + font-size: 14px; + color: var(--text3); + background: var(--surface2); + border-radius: 6px; + padding: 0.75rem; + line-height: 1.65; +} +.mg-ai-static .mg-ai-hint-box b { color: var(--text2); } +.mg-ai-static .mg-ai-ctx { + font-family: var(--mono); + font-size: 12px; + color: var(--text3); + line-height: 1.5; +} + +.mg-ai-messages { + display: flex; + flex-direction: column; + gap: 0.85rem; + min-height: 40px; +} +.mg-ai-msg { display: flex; flex-direction: column; gap: 0.35rem; max-width: 100%; } +.mg-ai-msg.user { align-items: flex-end; } +.mg-ai-msg.assistant { align-items: flex-start; } +.mg-ai-msg.system { align-items: stretch; } +.mg-ai-bubble { + max-width: 100%; + padding: 0.65rem 0.85rem; + border-radius: 10px; + font-size: 14px; + line-height: 1.55; + white-space: pre-wrap; + word-break: break-word; +} +.mg-ai-msg.user .mg-ai-bubble { background: var(--blue-dim); border: 1px solid var(--blue); color: var(--text); } +.mg-ai-msg.assistant .mg-ai-bubble { background: var(--surface2); border: 1px solid var(--border2); color: var(--text); } +.mg-ai-msg.system .mg-ai-bubble { background: var(--surface2); border: 1px solid var(--border); color: var(--text2); font-size: 13px; } +.mg-ai-raw { + margin-top: 0.35rem; + padding: 0.55rem 0.65rem; + font-family: var(--mono); + font-size: 11px; + color: var(--text3); + background: #06080c; + border: 1px solid var(--border); + border-radius: 6px; + white-space: pre-wrap; + word-break: break-word; + max-height: 200px; + overflow-y: auto; +} +.mg-ai-msg .role-lbl { + font-size: 10px; + font-family: var(--mono); + color: var(--text3); + text-transform: uppercase; + letter-spacing: 0.08em; +} + +.mg-ai-foot { + padding: 1rem 1.15rem; + border-top: 1px solid var(--border); + flex-shrink: 0; + background: var(--surface); +} +.mg-ai-input-row { display: flex; gap: 0.5rem; align-items: flex-end; } +#mgAiInput { + flex: 1; + min-height: 52px; + max-height: 160px; + padding: 10px 12px; + font-size: 14px; + font-family: var(--sans); + border-radius: 6px; + border: 1px solid var(--border2); + background: var(--surface2); + color: var(--text); + resize: vertical; +} +.mg-ai-actions { display: flex; gap: 0.45rem; flex-wrap: wrap; margin-top: 0.6rem; } +.mg-ai-actions .btn { min-height: 40px; padding: 8px 14px; font-size: 13px; } +.btn-mg-ai-send { + background: var(--green); + color: #000; + border: 1px solid var(--green); + font-weight: 600; + font-family: var(--mono); + font-size: 13px; + padding: 10px 16px; + border-radius: 6px; + cursor: pointer; + white-space: nowrap; +} +.btn-mg-ai-send:hover:not(:disabled) { filter: brightness(1.08); } +.btn-mg-ai-send:disabled { opacity: 0.35; cursor: not-allowed; } +.mg-ai-foot .mg-ai-foot-hint { font-size: 11px; color: var(--text3); margin-top: 0.45rem; line-height: 1.45; } + +/* app-shell layout helper (Module 1–5) */ +body[data-molgate-module] .app-shell { + flex: 1; + min-height: 0; + display: flex; + width: 100%; + align-items: stretch; +} +.app-shell > .main-col, +.app-shell > .left { + flex: 2; + min-width: 0; + min-height: 0; + overflow-y: auto; + display: flex; + flex-direction: column; +} +.app-shell > .main-col > .main, +.app-shell > .left > .main { + flex: 1; + min-height: 0; +} diff --git a/ui/assets/molgate_ai_sidebar.js b/ui/assets/molgate_ai_sidebar.js new file mode 100644 index 0000000000000000000000000000000000000000..676e1388cbb3b40f4e53c0fea6ca7542db7cf8a1 --- /dev/null +++ b/ui/assets/molgate_ai_sidebar.js @@ -0,0 +1,230 @@ +/** + * MolGate unified AI sidebar — stop / clear / stream (Module 3 format). + * Usage: + * molgateAiBind({ panelKey: 'm1', systemPrompt: () => '...', extraMessages: () => [] }); + * molgateAiNotify('status text'); // UI only, not in chat history + */ +(function () { + var DEFAULT_MODEL = 'deepseek-chat'; + var history = []; + var abort = null; + var streaming = false; + var bindOpts = null; + + function resolveUrl(path) { + if (typeof window.molgateResolveUrl === 'function') return window.molgateResolveUrl(path); + return path; + } + + function messagesEl() { + return document.getElementById('mgAiMessages'); + } + + function scrollToBottom() { + var scroll = document.querySelector('.mg-ai-scroll'); + if (scroll) scroll.scrollTop = scroll.scrollHeight; + var box = messagesEl(); + if (box) box.scrollTop = box.scrollHeight; + } + + function appendMessage(role, text) { + var box = messagesEl(); + if (!box) return null; + var wrap = document.createElement('div'); + wrap.className = 'mg-ai-msg ' + role; + var lbl = role === 'user' ? 'You' : role === 'system' ? 'System' : 'Assistant'; + wrap.innerHTML = + '' + lbl + '' + + '
' + + (role === 'assistant' + ? '
' + : '
') + + '
'; + wrap.querySelector('.mg-ai-bubble-text').textContent = text || ''; + box.appendChild(wrap); + scrollToBottom(); + return wrap; + } + + function buildPayload() { + var messages = []; + var systemPrompt = bindOpts && typeof bindOpts.systemPrompt === 'function' + ? bindOpts.systemPrompt() + : (bindOpts && bindOpts.systemPrompt) || ''; + if (systemPrompt) messages.push({ role: 'system', content: systemPrompt }); + if (bindOpts && typeof bindOpts.extraMessages === 'function') { + (bindOpts.extraMessages() || []).forEach(function (m) { + if (m && m.content) messages.push({ role: m.role || 'system', content: m.content }); + }); + } + history.forEach(function (m) { + if (m.role !== 'system') messages.push({ role: m.role, content: m.content }); + }); + return messages; + } + + window.molgateAiBind = function (opts) { + bindOpts = opts || {}; + var input = document.getElementById('mgAiInput'); + var sendBtn = document.getElementById('mgAiSend'); + var stopBtn = document.getElementById('mgAiStop'); + var clearBtn = document.getElementById('mgAiClear'); + if (!input || !sendBtn) return; + + sendBtn.onclick = function () { window.molgateAiSend(); }; + if (stopBtn) stopBtn.onclick = function () { window.molgateAiStop(); }; + if (clearBtn) clearBtn.onclick = function () { window.molgateAiClear(); }; + + input.addEventListener('keydown', function (e) { + if (e.key === 'Enter' && !e.shiftKey) { + e.preventDefault(); + window.molgateAiSend(); + } + }); + }; + + window.molgateAiSend = async function () { + var input = document.getElementById('mgAiInput'); + var sendBtn = document.getElementById('mgAiSend'); + var stopBtn = document.getElementById('mgAiStop'); + if (!input || streaming) return; + + var text = (input.value || '').trim(); + if (!text) return; + + var model = (bindOpts && bindOpts.model) || DEFAULT_MODEL; + var streamEl = document.getElementById('mgAiStream'); + var rawElOpt = document.getElementById('mgAiShowRaw'); + var useStream = streamEl ? streamEl.checked : true; + var showRaw = rawElOpt ? rawElOpt.checked : false; + + input.value = ''; + history.push({ role: 'user', content: text }); + appendMessage('user', text); + + var asstWrap = appendMessage('assistant', ''); + var textEl = asstWrap.querySelector('.mg-ai-bubble-text'); + var rawEl = asstWrap.querySelector('.mg-ai-raw'); + if (rawEl) { + rawEl.style.display = showRaw ? 'block' : 'none'; + } + + abort = new AbortController(); + streaming = true; + if (sendBtn) sendBtn.disabled = true; + if (stopBtn) stopBtn.disabled = false; + + var acc = ''; + var rawAcc = ''; + + try { + var endpoint = (bindOpts && bindOpts.endpoint) || '/api/llm/chat'; + var r = await fetch(resolveUrl(endpoint), { + method: 'POST', + headers: { 'Content-Type': 'application/json' }, + body: JSON.stringify({ + model: model, + messages: buildPayload(), + stream: useStream, + }), + signal: abort.signal, + }); + + if (!useStream) { + var j = await r.json(); + if (!r.ok) throw new Error(j.error || JSON.stringify(j)); + var msg = j.message || {}; + acc = msg.content || JSON.stringify(j); + textEl.textContent = acc; + if (rawEl && showRaw) rawEl.textContent = JSON.stringify(j, null, 2); + history.push({ role: 'assistant', content: acc }); + return; + } + + if (!r.ok) { + var errText = await r.text(); + throw new Error(errText || 'HTTP ' + r.status); + } + var ct = r.headers.get('Content-Type') || ''; + if (!ct.includes('text/event-stream')) { + var t = await r.text(); + try { + var j2 = JSON.parse(t); + throw new Error(j2.error || t || '非串流回應'); + } catch (e) { + if (e instanceof SyntaxError) throw new Error(t || '非串流回應'); + throw e; + } + } + + var reader = r.body.getReader(); + var dec = new TextDecoder(); + var buf = ''; + + while (true) { + var chunk = await reader.read(); + if (chunk.done) break; + buf += dec.decode(chunk.value, { stream: true }); + var sep; + while ((sep = buf.indexOf('\n\n')) >= 0) { + var block = buf.slice(0, sep); + buf = buf.slice(sep + 2); + if (!block.startsWith('data: ')) continue; + var line = block.slice(6).trim(); + if (!line) continue; + rawAcc += line + '\n'; + if (rawEl && showRaw) rawEl.textContent = rawAcc; + try { + var obj = JSON.parse(line); + if (obj.error) throw new Error(obj.error); + var piece = obj.message && obj.message.content ? obj.message.content : ''; + acc += piece; + textEl.textContent = acc; + scrollToBottom(); + } catch (e) { + if (e instanceof SyntaxError) continue; + throw e; + } + } + } + history.push({ role: 'assistant', content: acc }); + } catch (e) { + if (e.name === 'AbortError') { + textEl.textContent = acc ? acc + '\n\n[已停止]' : '[已停止]'; + if (acc) history.push({ role: 'assistant', content: acc }); + } else { + var err = String(e.message || e); + textEl.textContent = acc ? acc + '\n\n錯誤：' + err : '錯誤：' + err; + if (acc) history.push({ role: 'assistant', content: acc }); + } + } finally { + streaming = false; + abort = null; + if (sendBtn) sendBtn.disabled = false; + if (stopBtn) stopBtn.disabled = true; + } + }; + + window.molgateAiStop = function () { + if (abort) abort.abort(); + }; + + window.molgateAiClear = function () { + window.molgateAiStop(); + history = []; + var box = messagesEl(); + if (box) box.innerHTML = ''; + }; + + /** Status line in sidebar — not added to LLM history */ + window.molgateAiNotify = function (text, role) { + appendMessage(role || 'system', text || ''); + }; + + window.molgateAiSetPlaceholder = function (zh, en) { + var input = document.getElementById('mgAiInput'); + if (!input) return; + var lang = (window.LANG && window.LANG.cur) || 'zh'; + input.placeholder = lang === 'en' ? (en || zh) : (zh || en); + }; +})(); diff --git a/ui/assets/molgate_llm.js b/ui/assets/molgate_llm.js new file mode 100644 index 0000000000000000000000000000000000000000..dc08d4a05a6e9b04f5bc553465519d2d91b91827 --- /dev/null +++ b/ui/assets/molgate_llm.js @@ -0,0 +1,130 @@ +/** + * MolGate LLM client — POST /api/llm/chat (DeepSeek via server proxy). + */ +(function () { + var DEFAULT_MODEL = 'deepseek-chat'; + var _history = {}; + + function resolveUrl(path) { + if (typeof window.molgateResolveUrl === 'function') return window.molgateResolveUrl(path); + return path; + } + + function history(key) { + if (!_history[key]) _history[key] = []; + return _history[key]; + } + + function appendMsg(area, role, text) { + if (!area) return null; + var div = document.createElement('div'); + div.className = 'llm-msg ' + role; + div.textContent = text || ''; + area.appendChild(div); + area.scrollTop = area.scrollHeight; + return div; + } + + window.molgateLlmSend = async function (opts) { + opts = opts || {}; + var key = opts.panelKey || 'default'; + var input = typeof opts.inputId === 'string' ? document.getElementById(opts.inputId) : opts.inputId; + var area = typeof opts.areaId === 'string' ? document.getElementById(opts.areaId) : opts.areaId; + if (!input || !area) return { ok: false, error: 'missing input or area' }; + + var text = (input.value || '').trim(); + if (!text) return { ok: false, error: 'empty' }; + input.value = ''; + + var hist = history(key); + hist.push({ role: 'user', content: text }); + appendMsg(area, 'user', text); + + var asstEl = appendMsg(area, 'assistant', ''); + var acc = ''; + var model = (opts.model || DEFAULT_MODEL).trim(); + var useStream = opts.stream !== false; + var systemPrompt = typeof opts.systemPrompt === 'function' ? opts.systemPrompt() : (opts.systemPrompt || ''); + + var messages = []; + if (systemPrompt) messages.push({ role: 'system', content: systemPrompt }); + if (typeof opts.extraMessages === 'function') { + (opts.extraMessages() || []).forEach(function (m) { + if (m && m.content) messages.push({ role: m.role || 'system', content: m.content }); + }); + } + hist.forEach(function (m) { + if (m.role !== 'system') messages.push({ role: m.role, content: m.content }); + }); + + try { + var chatPath = (opts.endpoint || '/api/llm/chat').trim(); + var r = await fetch(resolveUrl(chatPath), { + method: 'POST', + headers: { 'Content-Type': 'application/json' }, + body: JSON.stringify({ model: model, messages: messages, stream: useStream, system: systemPrompt }), + signal: opts.signal, + }); + + if (!useStream) { + var j = await r.json(); + if (!r.ok) throw new Error(j.error || JSON.stringify(j)); + acc = (j.message && j.message.content) || ''; + asstEl.textContent = acc; + hist.push({ role: 'assistant', content: acc }); + return { ok: true, text: acc }; + } + + if (!r.ok) throw new Error(await r.text()); + var reader = r.body.getReader(); + var dec = new TextDecoder(); + var buf = ''; + while (true) { + var chunk = await reader.read(); + if (chunk.done) break; + buf += dec.decode(chunk.value, { stream: true }); + var sep; + while ((sep = buf.indexOf('\n\n')) >= 0) { + var block = buf.slice(0, sep); + buf = buf.slice(sep + 2); + if (!block.startsWith('data: ')) continue; + var line = block.slice(6).trim(); + if (!line) continue; + try { + var obj = JSON.parse(line); + if (obj.error) throw new Error(obj.error); + var piece = (obj.message && obj.message.content) ? obj.message.content : ''; + if (piece) { + acc += piece; + asstEl.textContent = acc; + area.scrollTop = area.scrollHeight; + } + } catch (e) { + if (!(e instanceof SyntaxError)) throw e; + } + } + } + hist.push({ role: 'assistant', content: acc }); + return { ok: true, text: acc }; + } catch (e) { + if (e.name === 'AbortError') { + asstEl.textContent = acc ? acc + '\n\n[已停止]' : '[已停止]'; + if (acc) hist.push({ role: 'assistant', content: acc }); + return { ok: false, aborted: true }; + } + var err = String(e.message || e); + asstEl.textContent = acc ? acc + '\n\n錯誤：' + err : '錯誤：' + err; + return { ok: false, error: err }; + } + }; + + window.molgateLlmClear = function (panelKey, areaId) { + _history[panelKey || 'default'] = []; + var area = typeof areaId === 'string' ? document.getElementById(areaId) : areaId; + if (area) { + area.querySelectorAll('.llm-msg.user, .llm-msg.assistant').forEach(function (el) { el.remove(); }); + } + }; + + window.molgateLlmDefaultModel = function () { return DEFAULT_MODEL; }; +})(); diff --git a/ui/assets/molgate_panel_scale.css b/ui/assets/molgate_panel_scale.css new file mode 100644 index 0000000000000000000000000000000000000000..b831f6ce709cca3aad9fe4a31c3ced7b3f39526e --- /dev/null +++ b/ui/assets/molgate_panel_scale.css @@ -0,0 +1,236 @@ +/** + * MolGate Module 1–5 panels — enlarged typography & logo. + * Load after each panel's inline + + +

CreaDrug Platform

+

DrugOps

+

3D 結構檢視（由 DrugOps session 或 CreaDrug case pack 載入）。

+

URL 參數：?session=…&view=ligand|receptor|pose&case=M25

+

→ 開啟 CreaDrug Showboard · ← DrugOps 首頁

+ + + diff --git a/ui/index.html b/ui/index.html new file mode 100644 index 0000000000000000000000000000000000000000..3dea0cacf6202b1104695839b0967c5b0be7353d --- /dev/null +++ b/ui/index.html @@ -0,0 +1,402 @@ + + + + + +CreaDrug · DrugOps + + + + + +
+ + +
+ +
+ +
+ DrugOps + CreaDrug + +
+ + +
+ + +
+
+ + +
+
+ + CreaDrug 計算藥物對接平台 +
+

+ 從 SMILES
到
Docking +

+

CreaDrug 平台 · DrugOps 27 Stage 品質管控 pipeline，從首頁依序進入 Module 1→5。請執行 bin\\start_all.bat，依終端機顯示的網址開啟（預設 port 8780）。

+ +
+ 進入 Module 1 開始 → + ReasonMind 藥研助手 → +
+
+ + +
+
+
三段落流程
+
+
+ + +
+ +
+
+
+
+
01
+
+
段落 1 · 配體準備
+
藥品 · 配體
+
Module 1–2  ·  Stage 01–09
+
+
+
+
+

輸入 SMILES 與靶點後，系統完成標準化、質子化態與互變異構選擇，輸出可直接對接的 3D 配體。

+
+ ligand.pdb + ligand.pdbqt + SMILES + LIGAND_READY +
+
+ 進入 Module 1 → + Module 2 → + CreaDrug 3D → +
+
+
+ +
+
+
+
+
02
+
+
段落 2 · 受體清理
+
受體 · 蛋白結構
+
Module 3  ·  Stage 10–19
+
+
+
+
+

下載並清理 PDB 結構：鏈選擇、水分子去除、輔因子決策，輸出可供口袋定義與對接使用的 cleaned 受體。

+
+ cleaned.pdb + receptor.pdbqt + PDB ID + STRUCTURE_READY +
+
+ 進入 Module 3 → + CreaDrug 3D → +
+
+
+ +
+
+
+
+
03
+
+
段落 3 · 對接執行
+
Docking 完成
+
Module 4–5  ·  Stage 21–26
+
+
+
+
+

定義口袋、執行 AutoDock Vina，取得最佳 pose、結合親和力與信心 tier，可在 CreaDrug 以受體＋pose 方式檢視對接結果。

+
+ best_pose.pdb + affinity + confidence tier + DOCK_COMPLETE +
+
+ 進入 Module 4 → + Module 5 → + CreaDrug 3D → +
+
+
+ +
+ + +
+
+
準備開始新的對接流程？
+
從 Module 1 輸入 SMILES，全程自動化完成 27 個 Stage。
+
+ 進入 Module 1 → +
+ + +
+
CreaDrug · DrugOps Pipeline
+
+ M1 + M2 + M3 + M4 + M5 +
+
+ +
+ + + diff --git a/ui/modules/m1/module1_panel.html b/ui/modules/m1/module1_panel.html new file mode 100644 index 0000000000000000000000000000000000000000..1e3468ef5896b533aca2d292e022f47a95f1d6fc --- /dev/null +++ b/ui/modules/m1/module1_panel.html @@ -0,0 +1,1277 @@ + + + + + +DrugOps — Module 1 Input Validation + + + + + + + + +
+
+ + +
+ + +
+
+ + +
+
+
+
+
+ +
+
+ +
+ + +
+
+ + +
+
+
STEP 1
+
+
基本輸入
+
SMILES + PDB ID + Target
+
+
+
+
+
藥物 SMILES*
+ +
+
+
+
+
Target 名稱*
+ +
+
+
PDB ID*
+
+ + +
+ +
+
+
+
藥物顯示名稱（選填）
+ +
+
+
+ + +
+
+
STEP 2
+
+
Index 建立
+
表單填寫 或 貼上 JSON
+
+
+
+
+
表單填寫
+
貼上 JSON
+
+ + +
+
+
+
HET ID（選填）
+ +
+
+
蛋白家族*
+ +
+
+
結構態
+ +
+
+
+
+
共晶配體俗名（選填）
+ +
+
+
Docking 目標藥物（可留空）
+ +
+
+
+
Pocket rule
+ +
+
+
+
污染 chain
+ +
+
+
Box padding
+ +
+
+
+
備註
+ +
+
+ + + + + +
+ +
+
+
預覽 JSON
+
{}
+
+ +
+
+
+ + +
+
+
STEP 3
+
+
執行 Module 1
+
Stage 01 / 02 / 03
+
+
+
+
+ + + + + +
+ + +
+
MODULE 1 完成 ✓
+
+
Session ID
—
+
MW
—
+
Stage 01
—
+
Stage 02
—
+
Stage 03
—
+
Index source
—
+
+
+ + +
+
+
+
+ +
+
+ + + + +
+ + + + + + diff --git a/ui/modules/m2/module2_panel.html b/ui/modules/m2/module2_panel.html new file mode 100644 index 0000000000000000000000000000000000000000..fef4f0745e54d8c3fac2ed81c8a144b86d7d687c --- /dev/null +++ b/ui/modules/m2/module2_panel.html @@ -0,0 +1,933 @@ + + + + + +DrugOps — Module 2 Ligand Enumeration + + + + + + + +
+
+ + +
+ + +
+
+ + +
+
+
+
+
+ +
+
+ session: — + target: — +
+
+ +
+ + +
+
+ + + + + +
+
+
ENGINE B
+
+
配體枚舉
+
Stage 04 質子化 + Stage 05 互變異構
+
+
+
+ + +
+
輸入 SMILES（來自 Stage 01）
+
—
+
+ +
+ +
+
+ 04 + 質子化狀態（pH 7.4） + — + +
+
+ 05 + 互變異構（canonical） + — + +
+
+ + + + + + + +
+ + 載入 Session 後啟用 +
+ + +
+
+ +
+
+
stage_05_tautomer.json → selected_smiles
+
+
+ + +
+
+
ENGINE C
+
+
PDBQT 轉換
+
Stage 09 → ligand/ligand.pdbqt
+
+
+
+
+
+ 09 + 配體 PDBQT 轉換（Meeko-first） + — + +
+
+ + +
+ 引擎： + + + +
+ + + + +
+ + 等待 Engine B 完成 +
+ +
+
+ + +
+
MODULE 2 完成 ✓
+
+
最終 SMILES
—
+
Stage 04
—
+
Stage 05
—
+
ligand.pdbqt
已生成
+
+
+ +
+
+ +
+
+ + + + +
+ + + + + + + diff --git a/ui/modules/m3/module3_panel.html b/ui/modules/m3/module3_panel.html new file mode 100644 index 0000000000000000000000000000000000000000..4b4d6eaa261a334b9ed141c571c2539687664da4 --- /dev/null +++ b/ui/modules/m3/module3_panel.html @@ -0,0 +1,1188 @@ + + + + + +DrugOps — Module 3 Protein Preparation + + + + + + + + +
+
+ + +
+ + +
+
+ + +
+
+
+
+
+ +
+
+
session —
+
target — · pdb —
+
+
+ +
+
+
+
+ + + + + + + 先載入 session，再執行引擎（經 gateway :8780 代理，無需另開終端） +
+ +
+ + +
+
+
ENGINE A
+
+
全自動清理層
+
Stage 10 / 11 / 12 / 13 / 14 → cleaned.pdb
+
+
+
+
+
10蛋白家族分類—
+
11結構態確認—
+
12污染鏈移除—
+
13缺失環評估—
+
14去結晶水—
+
+
+
+ +
+ 狀態：待執行（全自動） +
+ +
+
+ +
cleaned.pdb
+ + +
+
+
ENGINE B
+
+
人機決策層
+
Stage 15 / 17 + Flag 16 / 18 → prep_decisions.json
+
+
+
+
+
15輔因子／金屬—
+ +
17關鍵殘基 Override—
+ +
+ + + +
+
+ +
+ 等待 Engine A 完成 +
+ + +
+
+ +
prep_decisions.json
+ + +
+
+
ENGINE C
+
+
Receptor 準備 · 預估 4～8 分鐘
+
Stage 19 / 20 → receptor.pdbqt
+
+
+
+
+
19apo PDB → PDBQT—
+
20幾何 QC—
+
+
+
+
+ + + +
+ +
+ 狀態：等待 Engine B 完成 +
+ +
+
+ + +
+
MODULE 3 COMPLETE ✓
+
+
cleaned.pdb
—
+
chains 保留
—
+
水分子移除
—
+
receptor.pdbqt
—
+
引擎
—
+
Flags
—
+
+
+ 🔬 看 3D 結構（CreaDrug） + +
+
+ +
+
+
+ + +
+ + + + + + diff --git a/ui/modules/m4/module4_panel.html b/ui/modules/m4/module4_panel.html new file mode 100644 index 0000000000000000000000000000000000000000..52c9037993a1077586365ef5d08a9f7863e9470f --- /dev/null +++ b/ui/modules/m4/module4_panel.html @@ -0,0 +1,1429 @@ + + + + + +DrugOps — Module 4 Pocket Definition + + + + + + + + +
+
+ + +
+ + +
+
+ + +
+
+
+
+
+ +
+
+
session 93e44ebf6158878c
+
target COX2 · pdb 5IKT
+
+
+ +
+
+ +
+ +
+
+ + +
+
+
ENGINE A
+
HETATM 掃描過濾
Stage 21 → 候選配體列表
+
+
+
+
21HETATM 掃描（五層過濾）—
+
+
+ + + 全自動，無需介入 +
+ +
+
+ +
stage_21_hetatm.json
+ + +
+
+
ENGINE B
+
配體身份確認
Stage 22 → 選定配體（人機）
+
+
+
+
22配體身份確認—
+
+ + + + +
+ + 等待 Engine A 完成 +
+ + +
+
+ +
stage_22_ligand.json
+ + +
+
+
ENGINE C
+
口袋中心計算
Stage 23 → pocket_config.json
+
+
+
+
23重心計算 + Box size—
+
+
+ + 等待 Engine B 完成 +
+ + +
+
+ + +
+
MODULE 4 COMPLETE ✓
+
+
選定配體
—
+
重心座標
—
+
Box size
—
+
Padding
—
+
pocket_config.json
ready_for_docking = true
+
+
+ +
+
+ +
+
+ +
+ + + +
+ + + + + + + + + diff --git a/ui/modules/m5/module5_panel.html b/ui/modules/m5/module5_panel.html new file mode 100644 index 0000000000000000000000000000000000000000..480601cf5732ce945f74befdbc0b99bbe4a9587d --- /dev/null +++ b/ui/modules/m5/module5_panel.html @@ -0,0 +1,1002 @@ + + + + + +DrugOps — Module 5 Docking & Review + + + + + + + + +
+
+ + +
+ + +
+
+ + +
+
+
+
+
+ +
+
+ target COX2 · pdb 5IKT · 待测药物 — +
+
+ +
+ +
+
+
+ + +
+
+
ENGINE A
+
+
Docking 執行層
+
Stage 24 / 25 / 26 → docking_result.json
+
+
+
+
+
24AutoDock Vina 執行—
+
25Pose QC—
+
26結果寫入—
+
+ +
+
+
+ 3D 對接視窗 — 一進 Module 5 即可開啟，不必等 Vina 跑完；結構依 session 即時載入。 +
+ +
+
+ + + + +
+
+ +
+ 全自動，無需介入 +
+ +
+
+ +
docking_result.json
+ + +
+
+
ENGINE B
+
+
最終人工審核
+
Stage 27 → final_report.json
+
+
+
+
+
27最終審核—
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+ + + + +
+
+ +
+ 等待 Engine A 完成 +
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+
MODULE 5 完成 ✓ — PIPELINE 結束
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+
藥物
—
+
Best affinity
—
+
Confidence
—
+
決策
—
+
final_report.json
已寫入
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+ + + + + + diff --git a/ui/reasonmind/index.html b/ui/reasonmind/index.html new file mode 100644 index 0000000000000000000000000000000000000000..8003a957221703798feb2d81354e0dfffdee3d0c --- /dev/null +++ b/ui/reasonmind/index.html @@ -0,0 +1,178 @@ + + + + + +ReasonMind — 藥研助手 + + + + + +
+ + ReasonMind + 170B AI + +
+ 檢查中… + ← DrugOps 首頁 +
+
+ +
+
+

藥研與專利 AI 助手

+

170B 推理模型：資深醫藥研發科學家＋專利法律專家，繁體中文回答。

+
+ +
+
+ 你好，我是 ReasonMind。可詢問藥物機轉、專利迴避、臨床試驗設計等問題。 +
+
+ +
170B AI
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