MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 50 N HYP A 9 4.395 -14.306 2.481 1.00 80.38 N
HETATM 51 CA HYP A 9 3.900 -15.345 1.670 1.00 84.49 C
HETATM 52 C HYP A 9 2.674 -15.957 2.125 1.00 80.29 C
HETATM 53 O HYP A 9 2.567 -16.276 3.345 1.00 81.30 O
HETATM 54 CB HYP A 9 5.105 -16.294 1.518 1.00 81.04 C
HETATM 55 CG HYP A 9 6.297 -15.345 1.652 1.00 79.11 C
HETATM 56 CD HYP A 9 5.804 -14.360 2.681 1.00 80.47 C
HETATM 57 OD1 HYP A 9 6.565 -14.641 0.468 1.00 76.46 O
ATOM 58 N GLY A 10 1.575 -15.977 1.308 1.00 82.50 N
ATOM 59 CA GLY A 10 0.295 -16.556 1.631 1.00 79.30 C
ATOM 60 C GLY A 10 -0.674 -15.630 2.332 1.00 78.96 C
ATOM 61 O GLY A 10 -1.810 -16.011 2.585 1.00 76.32 O
ATOM 62 N LEU A 11 -0.266 -14.406 2.658 1.00 79.44 N
ATOM 63 CA LEU A 11 -1.115 -13.442 3.342 1.00 80.38 C
ATOM 64 C LEU A 11 -1.120 -12.130 2.569 1.00 79.24 C
ATOM 65 O LEU A 11 -0.061 -11.655 2.162 1.00 77.22 O
ATOM 66 CB LEU A 11 -0.620 -13.171 4.759 1.00 76.21 C
ATOM 67 CG LEU A 11 -0.593 -14.351 5.723 1.00 70.31 C
ATOM 68 CD1 LEU A 11 0.044 -13.931 7.031 1.00 68.04 C
ATOM 69 CD2 LEU A 11 -1.997 -14.883 5.956 1.00 66.89 C
ATOM 70 N PRO A 12 -2.288 -11.510 2.366 1.00 74.84 N
ATOM 71 CA PRO A 12 -2.315 -10.221 1.688 1.00 74.60 C
ATOM 72 C PRO A 12 -1.790 -9.126 2.606 1.00 74.65 C
ATOM 73 O PRO A 12 -1.881 -9.230 3.831 1.00 69.94 O
ATOM 74 CB PRO A 12 -3.794 -10.014 1.361 1.00 70.62 C
ATOM 75 CG PRO A 12 -4.495 -10.757 2.443 1.00 68.28 C
ATOM 76 CD PRO A 12 -3.641 -11.975 2.692 1.00 66.21 C
ATOM 77 N GLY A 13 -1.243 -8.096 2.000 1.00 85.66 N
ATOM 78 CA GLY A 13 -0.766 -6.975 2.786 1.00 82.57 C
ATOM 79 C GLY A 13 -1.929 -6.135 3.262 1.00 83.08 C
ATOM 80 O GLY A 13 -3.059 -6.287 2.787 1.00 82.69 O
ATOM 81 N PRO A 14 -1.684 -5.237 4.209 1.00 79.63 N
ATOM 82 CA PRO A 14 -2.748 -4.368 4.695 1.00 80.07 C
ATOM 83 C PRO A 14 -3.010 -3.257 3.693 1.00 79.92 C
ATOM 84 O PRO A 14 -2.197 -2.988 2.818 1.00 77.97 O
ATOM 85 CB PRO A 14 -2.168 -3.813 5.996 1.00 77.02 C
ATOM 86 CG PRO A 14 -0.707 -3.756 5.717 1.00 75.97 C
ATOM 87 CD PRO A 14 -0.423 -5.000 4.914 1.00 75.67 C
HETATM 88 N HYP A 15 -4.128 -2.619 3.832 1.00 81.38 N
HETATM 89 CA HYP A 15 -4.421 -1.450 3.037 1.00 80.65 C
HETATM 90 C HYP A 15 -3.386 -0.381 3.284 1.00 82.55 C
HETATM 91 O HYP A 15 -2.799 -0.318 4.390 1.00 81.92 O
HETATM 92 CB HYP A 15 -5.804 -1.100 3.561 1.00 77.83 C
HETATM 93 CG HYP A 15 -6.381 -2.442 3.949 1.00 77.85 C
HETATM 94 CD HYP A 15 -5.222 -3.128 4.590 1.00 82.69 C
HETATM 95 OD1 HYP A 15 -6.799 -3.178 2.826 1.00 79.52 O
ATOM 96 N GLY A 16 -3.127 0.405 2.295 1.00 83.54 N
ATOM 97 CA GLY A 16 -2.174 1.469 2.441 1.00 81.79 C
ATOM 98 C GLY A 16 -2.711 2.562 3.339 1.00 82.73 C
ATOM 99 O GLY A 16 -3.868 2.519 3.772 1.00 82.73 O
ATOM 100 N PRO A 17 -1.880 3.565 3.620 1.00 77.62 N
ATOM 101 CA PRO A 17 -2.327 4.666 4.465 1.00 77.76 C
ATOM 102 C PRO A 17 -3.362 5.514 3.744 1.00 77.42 C
ATOM 103 O PRO A 17 -3.493 5.452 2.526 1.00 76.72 O
ATOM 104 CB PRO A 17 -1.042 5.441 4.732 1.00 76.01 C
ATOM 105 CG PRO A 17 -0.185 5.138 3.563 1.00 75.10 C
ATOM 106 CD PRO A 17 -0.492 3.709 3.203 1.00 74.96 C
HETATM 107 N HYP A 18 -4.089 6.306 4.480 1.00 77.85 N
HETATM 108 CA HYP A 18 -5.037 7.210 3.881 1.00 79.47 C
HETATM 109 C HYP A 18 -4.395 8.139 2.886 1.00 78.35 C
HETATM 110 O HYP A 18 -3.203 8.497 3.039 1.00 81.71 O
HETATM 111 CB HYP A 18 -5.593 7.885 5.095 1.00 74.95 C
HETATM 112 CG HYP A 18 -5.500 6.862 6.192 1.00 75.52 C
HETATM 113 CD HYP A 18 -4.180 6.207 5.918 1.00 82.42 C
HETATM 114 OD1 HYP A 18 -6.518 5.889 6.118 1.00 78.70 O
ATOM 115 N GLY A 19 -5.121 8.514 1.876 1.00 77.42 N
ATOM 116 CA GLY A 19 -4.634 9.438 0.892 1.00 74.56 C
ATOM 117 C GLY A 19 -4.419 10.812 1.496 1.00 74.52 C
ATOM 118 O GLY A 19 -4.727 11.046 2.668 1.00 75.39 O
ATOM 119 N PRO A 20 -3.903 11.733 0.692 1.00 69.41 N
ATOM 120 CA PRO A 20 -3.658 13.072 1.203 1.00 70.78 C
ATOM 121 C PRO A 20 -4.951 13.799 1.511 1.00 70.21 C
ATOM 122 O PRO A 20 -6.010 13.458 0.990 1.00 71.21 O
ATOM 123 CB PRO A 20 -2.881 13.741 0.063 1.00 68.21 C
ATOM 124 CG PRO A 20 -3.328 13.004 -1.150 1.00 65.46 C
ATOM 125 CD PRO A 20 -3.516 11.581 -0.699 1.00 65.35 C
HETATM 126 N HYP A 21 -4.888 14.822 2.331 1.00 74.96 N
HETATM 127 CA HYP A 21 -6.026 15.605 2.644 1.00 79.79 C
HETATM 128 C HYP A 21 -6.610 16.314 1.446 1.00 74.99 C
HETATM 129 O HYP A 21 -5.838 16.677 0.511 1.00 80.13 O
HETATM 130 CB HYP A 21 -5.424 16.649 3.613 1.00 75.62 C
HETATM 131 CG HYP A 21 -4.208 15.984 4.226 1.00 72.72 C
HETATM 132 CD HYP A 21 -3.676 15.176 3.077 1.00 78.48 C
HETATM 133 OD1 HYP A 21 -4.601 15.099 5.271 1.00 79.47 O
ATOM 134 N GLY A 22 -7.895 16.437 1.377 1.00 72.94 N
ATOM 135 CA GLY A 22 -8.539 17.158 0.313 1.00 70.48 C
ATOM 136 C GLY A 22 -8.249 18.645 0.437 1.00 68.70 C
ATOM 137 O GLY A 22 -7.660 19.095 1.424 1.00 69.98 O
ATOM 138 N PRO A 23 -8.666 19.431 -0.544 1.00 73.13 N
ATOM 139 CA PRO A 23 -8.431 20.867 -0.491 1.00 75.58 C
ATOM 140 C PRO A 23 -9.311 21.517 0.553 1.00 74.84 C
ATOM 141 O PRO A 23 -10.380 21.011 0.883 1.00 72.71 O
ATOM 142 CB PRO A 23 -8.771 21.336 -1.901 1.00 70.69 C
ATOM 143 CG PRO A 23 -9.778 20.346 -2.362 1.00 65.50 C
ATOM 144 CD PRO A 23 -9.347 19.034 -1.770 1.00 67.19 C
HETATM 145 N HYP A 24 -8.902 22.686 1.044 1.00 76.79 N
HETATM 146 CA HYP A 24 -9.795 23.360 1.993 1.00 79.91 C
HETATM 147 C HYP A 24 -10.992 23.831 1.189 1.00 74.86 C
HETATM 148 O HYP A 24 -10.909 24.753 0.377 1.00 80.69 O
HETATM 149 CB HYP A 24 -8.937 24.616 2.402 1.00 77.10 C

HETATM 50 N HYP A 9 4.395 -14.306 2.481 1.00 80.38 N

HETATM 51 CA HYP A 9 3.900 -15.345 1.670 1.00 84.49 C

HETATM 52 C HYP A 9 2.674 -15.957 2.125 1.00 80.29 C

HETATM 53 O HYP A 9 2.567 -16.276 3.345 1.00 81.30 O

HETATM 54 CB HYP A 9 5.105 -16.294 1.518 1.00 81.04 C

HETATM 55 CG HYP A 9 6.297 -15.345 1.652 1.00 79.11 C

HETATM 56 CD HYP A 9 5.804 -14.360 2.681 1.00 80.47 C

HETATM 57 OD1 HYP A 9 6.565 -14.641 0.468 1.00 76.46 O

ATOM 58 N GLY A 10 1.575 -15.977 1.308 1.00 82.50 N

ATOM 59 CA GLY A 10 0.295 -16.556 1.631 1.00 79.30 C

ATOM 60 C GLY A 10 -0.674 -15.630 2.332 1.00 78.96 C

ATOM 61 O GLY A 10 -1.810 -16.011 2.585 1.00 76.32 O

ATOM 62 N LEU A 11 -0.266 -14.406 2.658 1.00 79.44 N

ATOM 63 CA LEU A 11 -1.115 -13.442 3.342 1.00 80.38 C

ATOM 64 C LEU A 11 -1.120 -12.130 2.569 1.00 79.24 C

ATOM 65 O LEU A 11 -0.061 -11.655 2.162 1.00 77.22 O

ATOM 66 CB LEU A 11 -0.620 -13.171 4.759 1.00 76.21 C

ATOM 67 CG LEU A 11 -0.593 -14.351 5.723 1.00 70.31 C

ATOM 68 CD1 LEU A 11 0.044 -13.931 7.031 1.00 68.04 C

ATOM 69 CD2 LEU A 11 -1.997 -14.883 5.956 1.00 66.89 C

ATOM 70 N PRO A 12 -2.288 -11.510 2.366 1.00 74.84 N

ATOM 71 CA PRO A 12 -2.315 -10.221 1.688 1.00 74.60 C

ATOM 72 C PRO A 12 -1.790 -9.126 2.606 1.00 74.65 C

ATOM 73 O PRO A 12 -1.881 -9.230 3.831 1.00 69.94 O

ATOM 74 CB PRO A 12 -3.794 -10.014 1.361 1.00 70.62 C

ATOM 75 CG PRO A 12 -4.495 -10.757 2.443 1.00 68.28 C

ATOM 76 CD PRO A 12 -3.641 -11.975 2.692 1.00 66.21 C

ATOM 77 N GLY A 13 -1.243 -8.096 2.000 1.00 85.66 N

ATOM 78 CA GLY A 13 -0.766 -6.975 2.786 1.00 82.57 C

ATOM 79 C GLY A 13 -1.929 -6.135 3.262 1.00 83.08 C

ATOM 80 O GLY A 13 -3.059 -6.287 2.787 1.00 82.69 O

ATOM 81 N PRO A 14 -1.684 -5.237 4.209 1.00 79.63 N

ATOM 82 CA PRO A 14 -2.748 -4.368 4.695 1.00 80.07 C

ATOM 83 C PRO A 14 -3.010 -3.257 3.693 1.00 79.92 C

ATOM 84 O PRO A 14 -2.197 -2.988 2.818 1.00 77.97 O

ATOM 85 CB PRO A 14 -2.168 -3.813 5.996 1.00 77.02 C

ATOM 86 CG PRO A 14 -0.707 -3.756 5.717 1.00 75.97 C

ATOM 87 CD PRO A 14 -0.423 -5.000 4.914 1.00 75.67 C

HETATM 88 N HYP A 15 -4.128 -2.619 3.832 1.00 81.38 N

HETATM 89 CA HYP A 15 -4.421 -1.450 3.037 1.00 80.65 C

HETATM 90 C HYP A 15 -3.386 -0.381 3.284 1.00 82.55 C

HETATM 91 O HYP A 15 -2.799 -0.318 4.390 1.00 81.92 O

HETATM 92 CB HYP A 15 -5.804 -1.100 3.561 1.00 77.83 C

HETATM 93 CG HYP A 15 -6.381 -2.442 3.949 1.00 77.85 C

HETATM 94 CD HYP A 15 -5.222 -3.128 4.590 1.00 82.69 C

HETATM 95 OD1 HYP A 15 -6.799 -3.178 2.826 1.00 79.52 O

ATOM 96 N GLY A 16 -3.127 0.405 2.295 1.00 83.54 N

ATOM 97 CA GLY A 16 -2.174 1.469 2.441 1.00 81.79 C

ATOM 98 C GLY A 16 -2.711 2.562 3.339 1.00 82.73 C

ATOM 99 O GLY A 16 -3.868 2.519 3.772 1.00 82.73 O

ATOM 100 N PRO A 17 -1.880 3.565 3.620 1.00 77.62 N

ATOM 101 CA PRO A 17 -2.327 4.666 4.465 1.00 77.76 C

ATOM 102 C PRO A 17 -3.362 5.514 3.744 1.00 77.42 C

ATOM 103 O PRO A 17 -3.493 5.452 2.526 1.00 76.72 O

ATOM 104 CB PRO A 17 -1.042 5.441 4.732 1.00 76.01 C

ATOM 105 CG PRO A 17 -0.185 5.138 3.563 1.00 75.10 C

ATOM 106 CD PRO A 17 -0.492 3.709 3.203 1.00 74.96 C

HETATM 107 N HYP A 18 -4.089 6.306 4.480 1.00 77.85 N

HETATM 108 CA HYP A 18 -5.037 7.210 3.881 1.00 79.47 C

HETATM 109 C HYP A 18 -4.395 8.139 2.886 1.00 78.35 C

HETATM 110 O HYP A 18 -3.203 8.497 3.039 1.00 81.71 O

HETATM 111 CB HYP A 18 -5.593 7.885 5.095 1.00 74.95 C

HETATM 112 CG HYP A 18 -5.500 6.862 6.192 1.00 75.52 C

HETATM 113 CD HYP A 18 -4.180 6.207 5.918 1.00 82.42 C

HETATM 114 OD1 HYP A 18 -6.518 5.889 6.118 1.00 78.70 O

ATOM 115 N GLY A 19 -5.121 8.514 1.876 1.00 77.42 N

ATOM 116 CA GLY A 19 -4.634 9.438 0.892 1.00 74.56 C

ATOM 117 C GLY A 19 -4.419 10.812 1.496 1.00 74.52 C

ATOM 118 O GLY A 19 -4.727 11.046 2.668 1.00 75.39 O

ATOM 119 N PRO A 20 -3.903 11.733 0.692 1.00 69.41 N

ATOM 120 CA PRO A 20 -3.658 13.072 1.203 1.00 70.78 C

ATOM 121 C PRO A 20 -4.951 13.799 1.511 1.00 70.21 C

ATOM 122 O PRO A 20 -6.010 13.458 0.990 1.00 71.21 O

ATOM 123 CB PRO A 20 -2.881 13.741 0.063 1.00 68.21 C

ATOM 124 CG PRO A 20 -3.328 13.004 -1.150 1.00 65.46 C

ATOM 125 CD PRO A 20 -3.516 11.581 -0.699 1.00 65.35 C

HETATM 126 N HYP A 21 -4.888 14.822 2.331 1.00 74.96 N

HETATM 127 CA HYP A 21 -6.026 15.605 2.644 1.00 79.79 C

HETATM 128 C HYP A 21 -6.610 16.314 1.446 1.00 74.99 C

HETATM 129 O HYP A 21 -5.838 16.677 0.511 1.00 80.13 O

HETATM 130 CB HYP A 21 -5.424 16.649 3.613 1.00 75.62 C

HETATM 131 CG HYP A 21 -4.208 15.984 4.226 1.00 72.72 C

HETATM 132 CD HYP A 21 -3.676 15.176 3.077 1.00 78.48 C

HETATM 133 OD1 HYP A 21 -4.601 15.099 5.271 1.00 79.47 O

ATOM 134 N GLY A 22 -7.895 16.437 1.377 1.00 72.94 N

ATOM 135 CA GLY A 22 -8.539 17.158 0.313 1.00 70.48 C

ATOM 136 C GLY A 22 -8.249 18.645 0.437 1.00 68.70 C

ATOM 137 O GLY A 22 -7.660 19.095 1.424 1.00 69.98 O

ATOM 138 N PRO A 23 -8.666 19.431 -0.544 1.00 73.13 N

ATOM 139 CA PRO A 23 -8.431 20.867 -0.491 1.00 75.58 C

ATOM 140 C PRO A 23 -9.311 21.517 0.553 1.00 74.84 C

ATOM 141 O PRO A 23 -10.380 21.011 0.883 1.00 72.71 O

ATOM 142 CB PRO A 23 -8.771 21.336 -1.901 1.00 70.69 C

ATOM 143 CG PRO A 23 -9.778 20.346 -2.362 1.00 65.50 C

ATOM 144 CD PRO A 23 -9.347 19.034 -1.770 1.00 67.19 C

HETATM 145 N HYP A 24 -8.902 22.686 1.044 1.00 76.79 N

HETATM 146 CA HYP A 24 -9.795 23.360 1.993 1.00 79.91 C

HETATM 147 C HYP A 24 -10.992 23.831 1.189 1.00 74.86 C

HETATM 148 O HYP A 24 -10.909 24.753 0.377 1.00 80.69 O

HETATM 149 CB HYP A 24 -8.937 24.616 2.402 1.00 77.10 C