MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

text stringlengths 6 81
HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C
HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C
HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O
ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N
ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C
ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C
ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O
ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N
ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C
ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C
ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O
ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C
ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C
ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C
HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N
HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C
HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C
HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O
HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C
HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C
HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C
HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O
ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N
ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C
ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C
ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O
ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N
ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C
ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C
ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O
ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C
ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O
HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N
HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C
HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C
HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O
HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C
HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C
HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C
HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O
ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N
ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C
ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C
ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O
ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N
ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C
ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C
ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O
ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C
ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C
ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C
HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N
HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C
HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C
HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O
HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C
HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C
HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C
HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O
ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N
ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C
ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C
ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O
ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N
ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C
ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C
ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O
ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C
ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C
ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C
HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N
HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C
HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C
HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O
HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C
HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C
HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C
HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O
ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N
ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C
ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C
ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O
ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N
ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C
ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C
ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O
ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C
ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C
ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C
HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N
HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C
HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C
HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O
HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C
HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C
HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C
HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O
ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N
ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C
ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C

HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C

HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C

HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O

ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N

ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C

ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C

ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O

ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N

ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C

ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C

ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O

ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C

ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C

ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C

HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N

HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C

HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C

HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O

HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C

HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C

HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C

HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O

ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N

ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C

ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C

ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O

ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N

ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C

ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C

ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O

ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C

ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O

HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N

HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C

HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C

HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O

HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C

HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C

HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C

HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O

ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N

ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C

ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C

ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O

ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N

ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C

ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C

ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O

ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C

ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C

ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C

HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N

HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C

HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C

HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O

HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C

HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C

HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C

HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O

ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N

ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C

ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C

ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O

ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N

ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C

ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C

ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O

ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C

ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C

ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C

HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N

HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C

HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C

HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O

HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C

HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C

HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C

HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O

ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N

ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C

ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C

ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O

ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N

ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C

ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C

ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O

ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C

ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C

ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C

HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N

HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C

HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C

HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O

HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C

HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C

HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C

HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O

ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N

ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C

ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C