MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

text stringlengths 6 81
ATOM 58 O GLN A 9 38.314 -11.815 -90.549 1.00 61.60 O
ATOM 59 CB GLN A 9 40.598 -9.770 -90.007 1.00 69.33 C
ATOM 60 CG GLN A 9 40.726 -9.719 -88.472 1.00 65.52 C
ATOM 61 CD GLN A 9 40.887 -8.301 -87.935 1.00 61.71 C
ATOM 62 OE1 GLN A 9 40.971 -7.312 -88.642 1.00 60.43 O
ATOM 63 NE2 GLN A 9 40.978 -8.134 -86.630 1.00 56.41 N
ATOM 64 N GLY A 10 39.671 -13.034 -89.264 1.00 64.49 N
ATOM 65 CA GLY A 10 38.620 -13.920 -88.768 1.00 64.95 C
ATOM 66 C GLY A 10 37.509 -13.150 -88.051 1.00 64.70 C
ATOM 67 O GLY A 10 37.771 -12.086 -87.475 1.00 62.96 O
ATOM 68 N PRO A 11 36.271 -13.663 -88.078 1.00 59.09 N
ATOM 69 CA PRO A 11 35.144 -13.005 -87.439 1.00 62.90 C
ATOM 70 C PRO A 11 35.386 -12.831 -85.937 1.00 59.60 C
ATOM 71 O PRO A 11 35.989 -13.686 -85.287 1.00 58.40 O
ATOM 72 CB PRO A 11 33.916 -13.873 -87.737 1.00 63.47 C
ATOM 73 CG PRO A 11 34.508 -15.260 -87.962 1.00 61.55 C
ATOM 74 CD PRO A 11 35.856 -14.954 -88.613 1.00 63.32 C
ATOM 75 N THR A 12 34.887 -11.730 -85.379 1.00 68.29 N
ATOM 76 CA THR A 12 34.920 -11.467 -83.940 1.00 70.20 C
ATOM 77 C THR A 12 34.180 -12.588 -83.201 1.00 66.66 C
ATOM 78 O THR A 12 33.069 -12.951 -83.572 1.00 62.82 O
ATOM 79 CB THR A 12 34.290 -10.106 -83.616 1.00 68.65 C
ATOM 80 OG1 THR A 12 34.907 -9.099 -84.391 1.00 64.36 O
ATOM 81 CG2 THR A 12 34.446 -9.696 -82.155 1.00 64.17 C
ATOM 82 N GLY A 13 34.786 -13.139 -82.157 1.00 62.75 N
ATOM 83 CA GLY A 13 34.181 -14.192 -81.350 1.00 62.94 C
ATOM 84 C GLY A 13 32.871 -13.741 -80.689 1.00 62.84 C
ATOM 85 O GLY A 13 32.695 -12.545 -80.430 1.00 60.67 O
ATOM 86 N PRO A 14 31.951 -14.662 -80.397 1.00 62.95 N
ATOM 87 CA PRO A 14 30.692 -14.341 -79.750 1.00 64.70 C
ATOM 88 C PRO A 14 30.930 -13.710 -78.366 1.00 61.93 C
ATOM 89 O PRO A 14 31.891 -14.043 -77.673 1.00 60.45 O
ATOM 90 CB PRO A 14 29.919 -15.657 -79.661 1.00 64.44 C
ATOM 91 CG PRO A 14 31.012 -16.713 -79.653 1.00 62.93 C
ATOM 92 CD PRO A 14 32.090 -16.109 -80.558 1.00 64.64 C
ATOM 93 N THR A 15 30.019 -12.836 -77.952 1.00 67.66 N
ATOM 94 CA THR A 15 30.025 -12.240 -76.608 1.00 68.44 C
ATOM 95 C THR A 15 29.960 -13.339 -75.554 1.00 65.58 C
ATOM 96 O THR A 15 29.139 -14.250 -75.656 1.00 62.09 O
ATOM 97 CB THR A 15 28.843 -11.276 -76.433 1.00 66.77 C
ATOM 98 OG1 THR A 15 28.816 -10.345 -77.500 1.00 62.15 O
ATOM 99 CG2 THR A 15 28.890 -10.485 -75.137 1.00 62.47 C
ATOM 100 N GLY A 16 30.807 -13.257 -74.538 1.00 61.26 N
ATOM 101 CA GLY A 16 30.797 -14.206 -73.427 1.00 61.42 C
ATOM 102 C GLY A 16 29.447 -14.233 -72.696 1.00 61.50 C
ATOM 103 O GLY A 16 28.741 -13.222 -72.667 1.00 59.47 O
ATOM 104 N PRO A 17 29.073 -15.363 -72.075 1.00 61.98 N
ATOM 105 CA PRO A 17 27.834 -15.472 -71.320 1.00 63.60 C
ATOM 106 C PRO A 17 27.827 -14.491 -70.132 1.00 61.15 C
ATOM 107 O PRO A 17 28.880 -14.153 -69.584 1.00 59.98 O
ATOM 108 CB PRO A 17 27.753 -16.931 -70.863 1.00 63.71 C
ATOM 109 CG PRO A 17 29.214 -17.371 -70.812 1.00 62.22 C
ATOM 110 CD PRO A 17 29.850 -16.595 -71.968 1.00 64.16 C
ATOM 111 N ALA A 18 26.635 -14.068 -69.704 1.00 65.68 N
ATOM 112 CA ALA A 18 26.483 -13.245 -68.509 1.00 67.32 C
ATOM 113 C ALA A 18 27.049 -13.948 -67.268 1.00 65.96 C
ATOM 114 O ALA A 18 26.918 -15.165 -67.116 1.00 62.81 O
ATOM 115 CB ALA A 18 24.999 -12.890 -68.318 1.00 65.56 C
ATOM 116 N GLY A 19 27.673 -13.176 -66.394 1.00 60.06 N
ATOM 117 CA GLY A 19 28.201 -13.687 -65.137 1.00 60.95 C
ATOM 118 C GLY A 19 27.106 -14.297 -64.248 1.00 61.82 C
ATOM 119 O GLY A 19 25.934 -13.938 -64.368 1.00 59.92 O
ATOM 120 N PRO A 20 27.464 -15.218 -63.355 1.00 61.69 N
ATOM 121 CA PRO A 20 26.512 -15.808 -62.425 1.00 63.76 C
ATOM 122 C PRO A 20 25.878 -14.741 -61.530 1.00 62.88 C
ATOM 123 O PRO A 20 26.494 -13.718 -61.220 1.00 61.49 O
ATOM 124 CB PRO A 20 27.304 -16.845 -61.621 1.00 63.05 C
ATOM 125 CG PRO A 20 28.728 -16.312 -61.663 1.00 60.93 C
ATOM 126 CD PRO A 20 28.821 -15.665 -63.046 1.00 62.42 C
ATOM 127 N ARG A 21 24.623 -14.978 -61.070 1.00 61.66 N
ATOM 128 CA ARG A 21 23.931 -14.113 -60.108 1.00 65.16 C
ATOM 129 C ARG A 21 24.726 -14.029 -58.806 1.00 63.39 C
ATOM 130 O ARG A 21 25.249 -15.035 -58.331 1.00 60.38 O
ATOM 131 CB ARG A 21 22.509 -14.636 -59.893 1.00 63.76 C
ATOM 132 CG ARG A 21 21.632 -13.642 -59.110 1.00 59.66 C
ATOM 133 CD ARG A 21 20.199 -14.173 -59.009 1.00 60.27 C
ATOM 134 NE ARG A 21 19.309 -13.183 -58.365 1.00 57.63 N
ATOM 135 CZ ARG A 21 18.036 -13.339 -58.065 1.00 51.53 C
ATOM 136 NH1 ARG A 21 17.408 -14.456 -58.306 1.00 51.43 N
ATOM 137 NH2 ARG A 21 17.364 -12.379 -57.513 1.00 50.01 N
ATOM 138 N GLY A 22 24.813 -12.826 -58.223 1.00 58.76 N
ATOM 139 CA GLY A 22 25.428 -12.615 -56.919 1.00 58.96 C
ATOM 140 C GLY A 22 24.733 -13.425 -55.815 1.00 59.60 C
ATOM 141 O GLY A 22 23.548 -13.743 -55.915 1.00 57.25 O
ATOM 142 N LEU A 23 25.498 -13.760 -54.773 1.00 59.92 N
ATOM 143 CA LEU A 23 24.952 -14.458 -53.601 1.00 63.05 C
ATOM 144 C LEU A 23 23.927 -13.571 -52.882 1.00 63.12 C
ATOM 145 O LEU A 23 24.051 -12.350 -52.875 1.00 61.38 O
ATOM 146 CB LEU A 23 26.093 -14.870 -52.644 1.00 61.43 C
ATOM 147 CG LEU A 23 27.091 -15.892 -53.231 1.00 57.44 C
ATOM 148 CD1 LEU A 23 28.227 -16.142 -52.243 1.00 55.34 C
ATOM 149 CD2 LEU A 23 26.434 -17.235 -53.554 1.00 53.95 C
ATOM 150 N GLN A 24 22.929 -14.211 -52.266 1.00 62.21 N
ATOM 151 CA GLN A 24 21.963 -13.519 -51.426 1.00 65.31 C
ATOM 152 C GLN A 24 22.675 -12.815 -50.259 1.00 63.15 C
ATOM 153 O GLN A 24 23.609 -13.372 -49.681 1.00 59.98 O
ATOM 154 CB GLN A 24 20.912 -14.527 -50.940 1.00 64.77 C
ATOM 155 CG GLN A 24 19.729 -13.876 -50.190 1.00 61.84 C
ATOM 156 CD GLN A 24 18.611 -14.868 -49.869 1.00 60.51 C
ATOM 157 OE1 GLN A 24 18.688 -16.047 -50.168 1.00 58.96 O

ATOM 58 O GLN A 9 38.314 -11.815 -90.549 1.00 61.60 O

ATOM 59 CB GLN A 9 40.598 -9.770 -90.007 1.00 69.33 C

ATOM 60 CG GLN A 9 40.726 -9.719 -88.472 1.00 65.52 C

ATOM 61 CD GLN A 9 40.887 -8.301 -87.935 1.00 61.71 C

ATOM 62 OE1 GLN A 9 40.971 -7.312 -88.642 1.00 60.43 O

ATOM 63 NE2 GLN A 9 40.978 -8.134 -86.630 1.00 56.41 N

ATOM 64 N GLY A 10 39.671 -13.034 -89.264 1.00 64.49 N

ATOM 65 CA GLY A 10 38.620 -13.920 -88.768 1.00 64.95 C

ATOM 66 C GLY A 10 37.509 -13.150 -88.051 1.00 64.70 C

ATOM 67 O GLY A 10 37.771 -12.086 -87.475 1.00 62.96 O

ATOM 68 N PRO A 11 36.271 -13.663 -88.078 1.00 59.09 N

ATOM 69 CA PRO A 11 35.144 -13.005 -87.439 1.00 62.90 C

ATOM 70 C PRO A 11 35.386 -12.831 -85.937 1.00 59.60 C

ATOM 71 O PRO A 11 35.989 -13.686 -85.287 1.00 58.40 O

ATOM 72 CB PRO A 11 33.916 -13.873 -87.737 1.00 63.47 C

ATOM 73 CG PRO A 11 34.508 -15.260 -87.962 1.00 61.55 C

ATOM 74 CD PRO A 11 35.856 -14.954 -88.613 1.00 63.32 C

ATOM 75 N THR A 12 34.887 -11.730 -85.379 1.00 68.29 N

ATOM 76 CA THR A 12 34.920 -11.467 -83.940 1.00 70.20 C

ATOM 77 C THR A 12 34.180 -12.588 -83.201 1.00 66.66 C

ATOM 78 O THR A 12 33.069 -12.951 -83.572 1.00 62.82 O

ATOM 79 CB THR A 12 34.290 -10.106 -83.616 1.00 68.65 C

ATOM 80 OG1 THR A 12 34.907 -9.099 -84.391 1.00 64.36 O

ATOM 81 CG2 THR A 12 34.446 -9.696 -82.155 1.00 64.17 C

ATOM 82 N GLY A 13 34.786 -13.139 -82.157 1.00 62.75 N

ATOM 83 CA GLY A 13 34.181 -14.192 -81.350 1.00 62.94 C

ATOM 84 C GLY A 13 32.871 -13.741 -80.689 1.00 62.84 C

ATOM 85 O GLY A 13 32.695 -12.545 -80.430 1.00 60.67 O

ATOM 86 N PRO A 14 31.951 -14.662 -80.397 1.00 62.95 N

ATOM 87 CA PRO A 14 30.692 -14.341 -79.750 1.00 64.70 C

ATOM 88 C PRO A 14 30.930 -13.710 -78.366 1.00 61.93 C

ATOM 89 O PRO A 14 31.891 -14.043 -77.673 1.00 60.45 O

ATOM 90 CB PRO A 14 29.919 -15.657 -79.661 1.00 64.44 C

ATOM 91 CG PRO A 14 31.012 -16.713 -79.653 1.00 62.93 C

ATOM 92 CD PRO A 14 32.090 -16.109 -80.558 1.00 64.64 C

ATOM 93 N THR A 15 30.019 -12.836 -77.952 1.00 67.66 N

ATOM 94 CA THR A 15 30.025 -12.240 -76.608 1.00 68.44 C

ATOM 95 C THR A 15 29.960 -13.339 -75.554 1.00 65.58 C

ATOM 96 O THR A 15 29.139 -14.250 -75.656 1.00 62.09 O

ATOM 97 CB THR A 15 28.843 -11.276 -76.433 1.00 66.77 C

ATOM 98 OG1 THR A 15 28.816 -10.345 -77.500 1.00 62.15 O

ATOM 99 CG2 THR A 15 28.890 -10.485 -75.137 1.00 62.47 C

ATOM 100 N GLY A 16 30.807 -13.257 -74.538 1.00 61.26 N

ATOM 101 CA GLY A 16 30.797 -14.206 -73.427 1.00 61.42 C

ATOM 102 C GLY A 16 29.447 -14.233 -72.696 1.00 61.50 C

ATOM 103 O GLY A 16 28.741 -13.222 -72.667 1.00 59.47 O

ATOM 104 N PRO A 17 29.073 -15.363 -72.075 1.00 61.98 N

ATOM 105 CA PRO A 17 27.834 -15.472 -71.320 1.00 63.60 C

ATOM 106 C PRO A 17 27.827 -14.491 -70.132 1.00 61.15 C

ATOM 107 O PRO A 17 28.880 -14.153 -69.584 1.00 59.98 O

ATOM 108 CB PRO A 17 27.753 -16.931 -70.863 1.00 63.71 C

ATOM 109 CG PRO A 17 29.214 -17.371 -70.812 1.00 62.22 C

ATOM 110 CD PRO A 17 29.850 -16.595 -71.968 1.00 64.16 C

ATOM 111 N ALA A 18 26.635 -14.068 -69.704 1.00 65.68 N

ATOM 112 CA ALA A 18 26.483 -13.245 -68.509 1.00 67.32 C

ATOM 113 C ALA A 18 27.049 -13.948 -67.268 1.00 65.96 C

ATOM 114 O ALA A 18 26.918 -15.165 -67.116 1.00 62.81 O

ATOM 115 CB ALA A 18 24.999 -12.890 -68.318 1.00 65.56 C

ATOM 116 N GLY A 19 27.673 -13.176 -66.394 1.00 60.06 N

ATOM 117 CA GLY A 19 28.201 -13.687 -65.137 1.00 60.95 C

ATOM 118 C GLY A 19 27.106 -14.297 -64.248 1.00 61.82 C

ATOM 119 O GLY A 19 25.934 -13.938 -64.368 1.00 59.92 O

ATOM 120 N PRO A 20 27.464 -15.218 -63.355 1.00 61.69 N

ATOM 121 CA PRO A 20 26.512 -15.808 -62.425 1.00 63.76 C

ATOM 122 C PRO A 20 25.878 -14.741 -61.530 1.00 62.88 C

ATOM 123 O PRO A 20 26.494 -13.718 -61.220 1.00 61.49 O

ATOM 124 CB PRO A 20 27.304 -16.845 -61.621 1.00 63.05 C

ATOM 125 CG PRO A 20 28.728 -16.312 -61.663 1.00 60.93 C

ATOM 126 CD PRO A 20 28.821 -15.665 -63.046 1.00 62.42 C

ATOM 127 N ARG A 21 24.623 -14.978 -61.070 1.00 61.66 N

ATOM 128 CA ARG A 21 23.931 -14.113 -60.108 1.00 65.16 C

ATOM 129 C ARG A 21 24.726 -14.029 -58.806 1.00 63.39 C

ATOM 130 O ARG A 21 25.249 -15.035 -58.331 1.00 60.38 O

ATOM 131 CB ARG A 21 22.509 -14.636 -59.893 1.00 63.76 C

ATOM 132 CG ARG A 21 21.632 -13.642 -59.110 1.00 59.66 C

ATOM 133 CD ARG A 21 20.199 -14.173 -59.009 1.00 60.27 C

ATOM 134 NE ARG A 21 19.309 -13.183 -58.365 1.00 57.63 N

ATOM 135 CZ ARG A 21 18.036 -13.339 -58.065 1.00 51.53 C

ATOM 136 NH1 ARG A 21 17.408 -14.456 -58.306 1.00 51.43 N

ATOM 137 NH2 ARG A 21 17.364 -12.379 -57.513 1.00 50.01 N

ATOM 138 N GLY A 22 24.813 -12.826 -58.223 1.00 58.76 N

ATOM 139 CA GLY A 22 25.428 -12.615 -56.919 1.00 58.96 C

ATOM 140 C GLY A 22 24.733 -13.425 -55.815 1.00 59.60 C

ATOM 141 O GLY A 22 23.548 -13.743 -55.915 1.00 57.25 O

ATOM 142 N LEU A 23 25.498 -13.760 -54.773 1.00 59.92 N

ATOM 143 CA LEU A 23 24.952 -14.458 -53.601 1.00 63.05 C

ATOM 144 C LEU A 23 23.927 -13.571 -52.882 1.00 63.12 C

ATOM 145 O LEU A 23 24.051 -12.350 -52.875 1.00 61.38 O

ATOM 146 CB LEU A 23 26.093 -14.870 -52.644 1.00 61.43 C

ATOM 147 CG LEU A 23 27.091 -15.892 -53.231 1.00 57.44 C

ATOM 148 CD1 LEU A 23 28.227 -16.142 -52.243 1.00 55.34 C

ATOM 149 CD2 LEU A 23 26.434 -17.235 -53.554 1.00 53.95 C

ATOM 150 N GLN A 24 22.929 -14.211 -52.266 1.00 62.21 N

ATOM 151 CA GLN A 24 21.963 -13.519 -51.426 1.00 65.31 C

ATOM 152 C GLN A 24 22.675 -12.815 -50.259 1.00 63.15 C

ATOM 153 O GLN A 24 23.609 -13.372 -49.681 1.00 59.98 O

ATOM 154 CB GLN A 24 20.912 -14.527 -50.940 1.00 64.77 C

ATOM 155 CG GLN A 24 19.729 -13.876 -50.190 1.00 61.84 C

ATOM 156 CD GLN A 24 18.611 -14.868 -49.869 1.00 60.51 C

ATOM 157 OE1 GLN A 24 18.688 -16.047 -50.168 1.00 58.96 O