HEADER DWEYS REMARK 99 REMARK 99 MOE v2015.10 (Chemical Computing Group Inc.) Fri Jul 1 11:23:34 2016 ATOM 1 N ASP 283 59.575 -45.647 15.778 1.00 0.00 N1+ ATOM 2 CA ASP 283 60.177 -46.867 16.225 1.00 0.00 C ATOM 3 CB ASP 283 60.338 -47.890 15.084 1.00 0.00 C ATOM 4 CG ASP 283 58.962 -48.246 14.541 1.00 0.00 C ATOM 5 OD1 ASP 283 57.959 -47.676 15.046 1.00 0.00 O ATOM 6 OD2 ASP 283 58.899 -49.087 13.604 1.00 0.00 O1- ATOM 7 C ASP 283 61.562 -46.527 16.674 1.00 0.00 C ATOM 8 O ASP 283 62.165 -47.248 17.466 1.00 0.00 O ATOM 9 H1 ASP 283 60.148 -45.233 15.056 1.00 0.00 H ATOM 10 H2 ASP 283 59.498 -45.006 16.555 1.00 0.00 H ATOM 11 H3 ASP 283 58.656 -45.840 15.409 1.00 0.00 H ATOM 12 HA ASP 283 59.545 -47.296 17.002 1.00 0.00 H ATOM 13 HB2 ASP 283 60.825 -48.788 15.464 1.00 0.00 H ATOM 14 HB3 ASP 283 60.945 -47.457 14.288 1.00 0.00 H ATOM 15 N TRP 284 62.121 -45.430 16.130 1.00 0.00 N ATOM 16 CA TRP 284 63.496 -45.116 16.393 1.00 0.00 C ATOM 17 CB TRP 284 63.950 -43.830 15.684 1.00 0.00 C ATOM 18 CG TRP 284 65.397 -43.464 15.926 1.00 0.00 C ATOM 19 CD2 TRP 284 66.480 -43.880 15.077 1.00 0.00 C ATOM 20 CD1 TRP 284 65.953 -42.708 16.917 1.00 0.00 C ATOM 21 NE1 TRP 284 67.314 -42.626 16.739 1.00 0.00 N ATOM 22 CE2 TRP 284 67.652 -43.342 15.610 1.00 0.00 C ATOM 23 CE3 TRP 284 66.496 -44.643 13.947 1.00 0.00 C ATOM 24 CZ2 TRP 284 68.863 -43.561 15.017 1.00 0.00 C ATOM 25 CZ3 TRP 284 67.720 -44.866 13.352 1.00 0.00 C ATOM 26 CH2 TRP 284 68.880 -44.334 13.878 1.00 0.00 C ATOM 27 C TRP 284 63.754 -44.915 17.856 1.00 0.00 C ATOM 28 O TRP 284 64.483 -45.684 18.478 1.00 0.00 O ATOM 29 H TRP 284 61.572 -44.827 15.535 1.00 0.00 H ATOM 30 HA TRP 284 64.056 -45.972 16.016 1.00 0.00 H ATOM 31 HB2 TRP 284 63.806 -43.962 14.612 1.00 0.00 H ATOM 32 HB3 TRP 284 63.327 -43.008 16.035 1.00 0.00 H ATOM 33 HD1 TRP 284 65.404 -42.241 17.722 1.00 0.00 H ATOM 34 HE1 TRP 284 67.958 -42.126 17.335 1.00 0.00 H ATOM 35 HE3 TRP 284 65.588 -45.056 13.535 1.00 0.00 H ATOM 36 HZ2 TRP 284 69.771 -43.144 15.427 1.00 0.00 H ATOM 37 HZ3 TRP 284 67.772 -45.468 12.457 1.00 0.00 H ATOM 38 HH2 TRP 284 69.821 -44.528 13.385 1.00 0.00 H ATOM 39 N GLU 285 63.139 -43.877 18.445 1.00 0.00 N ATOM 40 CA GLU 285 63.362 -43.522 19.818 1.00 0.00 C ATOM 41 C GLU 285 62.703 -44.494 20.742 1.00 0.00 C ATOM 42 O GLU 285 63.185 -44.718 21.851 1.00 0.00 O ATOM 43 CB GLU 285 62.884 -42.065 20.036 1.00 0.00 C ATOM 44 CG GLU 285 63.234 -41.485 21.414 1.00 0.00 C ATOM 45 CD GLU 285 64.750 -41.364 21.615 1.00 0.00 C ATOM 46 OE1 GLU 285 65.349 -40.478 20.965 1.00 0.00 O ATOM 47 OE2 GLU 285 65.288 -42.168 22.406 1.00 0.00 O1- ATOM 48 H GLU 285 62.495 -43.322 17.900 1.00 0.00 H ATOM 49 HA GLU 285 64.426 -43.573 20.050 1.00 0.00 H ATOM 50 HB2 GLU 285 63.344 -41.436 19.274 1.00 0.00 H ATOM 51 HB3 GLU 285 61.800 -42.041 19.921 1.00 0.00 H ATOM 52 HG2 GLU 285 62.828 -42.139 22.185 1.00 0.00 H ATOM 53 HG3 GLU 285 62.786 -40.495 21.504 1.00 0.00 H ATOM 54 N TYR 286 61.574 -45.086 20.311 1.00 0.00 N ATOM 55 CA TYR 286 60.785 -45.915 21.180 1.00 0.00 C ATOM 56 CB TYR 286 59.308 -45.476 21.063 1.00 0.00 C ATOM 57 CG TYR 286 58.400 -46.146 22.031 1.00 0.00 C ATOM 58 CD1 TYR 286 58.620 -46.061 23.387 1.00 0.00 C ATOM 59 CD2 TYR 286 57.278 -46.797 21.577 1.00 0.00 C ATOM 60 CE1 TYR 286 57.758 -46.664 24.273 1.00 0.00 C ATOM 61 CE2 TYR 286 56.413 -47.399 22.457 1.00 0.00 C ATOM 62 CZ TYR 286 56.658 -47.341 23.807 1.00 0.00 C ATOM 63 OH TYR 286 55.768 -47.960 24.709 1.00 0.00 O ATOM 64 C TYR 286 60.954 -47.357 20.774 1.00 0.00 C ATOM 65 O TYR 286 60.313 -47.831 19.835 1.00 0.00 O ATOM 66 H TYR 286 61.275 -44.944 19.356 1.00 0.00 H ATOM 67 HA TYR 286 61.107 -45.812 22.217 1.00 0.00 H ATOM 68 HB2 TYR 286 59.256 -44.400 21.233 1.00 0.00 H ATOM 69 HB3 TYR 286 58.962 -45.702 20.055 1.00 0.00 H ATOM 70 HD1 TYR 286 59.477 -45.517 23.757 1.00 0.00 H ATOM 71 HD2 TYR 286 57.075 -46.836 20.517 1.00 0.00 H ATOM 72 HE1 TYR 286 57.947 -46.604 25.335 1.00 0.00 H ATOM 73 HE2 TYR 286 55.540 -47.918 22.088 1.00 0.00 H ATOM 74 HH TYR 286 55.018 -48.400 24.301 1.00 0.00 H ATOM 75 N SER 287 61.815 -48.091 21.521 1.00 0.00 N ATOM 76 CA SER 287 62.197 -49.454 21.248 1.00 0.00 C ATOM 77 CB SER 287 63.619 -49.778 21.751 1.00 0.00 C ATOM 78 OG SER 287 63.990 -51.107 21.416 1.00 0.00 O ATOM 79 C SER 287 61.248 -50.413 21.888 1.00 0.00 C ATOM 80 O SER 287 61.349 -51.734 21.604 1.00 0.00 O1- ATOM 81 O SER 287 60.380 -50.031 22.665 1.00 0.00 O ATOM 82 H SER 287 62.220 -47.648 22.334 1.00 0.00 H ATOM 83 HA SER 287 62.173 -49.561 20.164 1.00 0.00 H ATOM 84 HB2 SER 287 63.648 -49.663 22.835 1.00 0.00 H ATOM 85 HB3 SER 287 64.325 -49.085 21.293 1.00 0.00 H ATOM 86 HG SER 287 63.356 -51.699 21.829 1.00 0.00 H TER 87 SER 287 HETATM 88 C ROC B 505 63.691 -44.919 18.004 1.00 0.00 C HETATM 89 O ROC B 505 64.510 -45.643 18.551 1.00 0.00 O HETATM 90 N1 ROC B 505 62.231 -46.515 17.037 1.00 0.00 N HETATM 91 C2 ROC B 505 62.972 -45.394 16.820 1.00 0.00 C HETATM 92 C3 ROC B 505 62.981 -44.643 15.663 1.00 0.00 C HETATM 93 C4 ROC B 505 62.118 -45.060 14.659 1.00 0.00 C HETATM 94 C5 ROC B 505 60.368 -46.607 13.880 1.00 0.00 C HETATM 95 C6 ROC B 505 59.547 -47.707 14.110 1.00 0.00 C HETATM 96 C7 ROC B 505 59.628 -48.374 15.317 1.00 0.00 C HETATM 97 C8 ROC B 505 60.530 -47.945 16.289 1.00 0.00 C HETATM 98 C4A ROC B 505 61.275 -46.171 14.860 1.00 0.00 C HETATM 99 C8A ROC B 505 61.361 -46.858 16.085 1.00 0.00 C HETATM 100 N ROC B 505 63.167 -43.761 18.564 1.00 0.00 N HETATM 101 CA ROC B 505 63.619 -43.379 19.896 1.00 0.00 C HETATM 102 C1 ROC B 505 62.915 -44.275 20.897 1.00 0.00 C HETATM 103 O1 ROC B 505 63.336 -44.408 22.045 1.00 0.00 O HETATM 104 CB ROC B 505 63.363 -41.918 20.293 1.00 0.00 C HETATM 105 CG ROC B 505 64.591 -41.393 21.033 1.00 0.00 C HETATM 106 OD1 ROC B 505 65.160 -41.995 21.939 1.00 0.00 O HETATM 107 ND2 ROC B 505 65.136 -40.258 20.503 1.00 0.00 N HETATM 108 C9 ROC B 505 61.506 -46.710 22.322 1.00 0.00 C HETATM 109 O2 ROC B 505 62.873 -46.586 22.695 1.00 0.00 O HETATM 110 CA1 ROC B 505 60.887 -45.522 21.524 1.00 0.00 C HETATM 111 N2 ROC B 505 61.729 -44.872 20.524 1.00 0.00 N HETATM 112 CB1 ROC B 505 59.470 -45.763 20.976 1.00 0.00 C HETATM 113 CG1 ROC B 505 58.422 -46.221 21.957 1.00 0.00 C HETATM 114 CD1 ROC B 505 57.357 -46.984 21.480 1.00 0.00 C HETATM 115 CD2 ROC B 505 58.461 -45.919 23.317 1.00 0.00 C HETATM 116 CE1 ROC B 505 56.401 -47.492 22.348 1.00 0.00 C HETATM 117 CE2 ROC B 505 57.524 -46.450 24.192 1.00 0.00 C HETATM 118 CZ ROC B 505 56.496 -47.241 23.707 1.00 0.00 C HETATM 119 N11 ROC B 505 61.902 -48.837 20.738 1.00 0.00 N HETATM 120 CM ROC B 505 61.298 -48.163 21.893 1.00 0.00 C HETATM 121 C21 ROC B 505 62.204 -50.255 20.989 1.00 0.00 C HETATM 122 CC ROC B 505 61.097 -51.044 21.694 1.00 0.00 C HETATM 123 O3 ROC B 505 60.329 -50.573 22.523 1.00 0.00 O HETATM 124 C31 ROC B 505 63.526 -50.469 21.718 1.00 0.00 C HETATM 125 C3A ROC B 505 64.679 -49.996 20.840 1.00 0.00 C HETATM 126 C41 ROC B 505 66.022 -50.245 21.556 1.00 0.00 C HETATM 127 C51 ROC B 505 67.108 -49.295 21.070 1.00 0.00 C HETATM 128 C61 ROC B 505 66.732 -47.836 21.332 1.00 0.00 C HETATM 129 C71 ROC B 505 65.217 -47.599 21.368 1.00 0.00 C HETATM 130 C7A ROC B 505 64.485 -48.532 20.399 1.00 0.00 C HETATM 131 C81 ROC B 505 63.012 -48.146 20.084 1.00 0.00 C HETATM 132 N3 ROC B 505 61.110 -52.381 21.327 1.00 0.00 N HETATM 133 CD ROC B 505 60.202 -53.410 21.849 1.00 0.00 C HETATM 134 C11 ROC B 505 60.380 -53.580 23.366 1.00 0.00 C HETATM 135 C22 ROC B 505 58.739 -53.070 21.522 1.00 0.00 C HETATM 136 C32 ROC B 505 60.552 -54.747 21.169 1.00 0.00 C HETATM 137 H3 ROC B 505 63.602 -43.763 15.545 1.00 0.00 H HETATM 138 H4 ROC B 505 62.082 -44.503 13.725 1.00 0.00 H HETATM 139 H5 ROC B 505 60.296 -46.089 12.925 1.00 0.00 H HETATM 140 H6 ROC B 505 58.849 -48.036 13.344 1.00 0.00 H HETATM 141 H7 ROC B 505 58.993 -49.235 15.512 1.00 0.00 H HETATM 142 H8 ROC B 505 60.592 -48.487 17.231 1.00 0.00 H HETATM 143 H ROC B 505 62.467 -43.209 18.080 1.00 0.00 H HETATM 144 HA ROC B 505 64.689 -43.618 19.951 1.00 0.00 H HETATM 145 HB1 ROC B 505 62.497 -41.802 20.954 1.00 0.00 H HETATM 146 HB2 ROC B 505 63.187 -41.306 19.401 1.00 0.00 H HETATM 147 HD21 ROC B 505 65.992 -39.903 20.913 1.00 0.00 H HETATM 148 HD22 ROC B 505 64.736 -39.745 19.729 1.00 0.00 H HETATM 149 H9 ROC B 505 61.004 -46.664 23.296 1.00 0.00 H HETATM 150 H2 ROC B 505 63.121 -45.633 22.659 1.00 0.00 H HETATM 151 HA1 ROC B 505 60.791 -44.721 22.273 1.00 0.00 H HETATM 152 H2 ROC B 505 61.464 -44.860 19.546 1.00 0.00 H HETATM 153 HB11 ROC B 505 59.546 -46.492 20.158 1.00 0.00 H HETATM 154 HB12 ROC B 505 59.101 -44.834 20.519 1.00 0.00 H HETATM 155 HD1 ROC B 505 57.278 -47.218 20.421 1.00 0.00 H HETATM 156 HD2 ROC B 505 59.229 -45.275 23.736 1.00 0.00 H HETATM 157 HE1 ROC B 505 55.589 -48.102 21.963 1.00 0.00 H HETATM 158 HE2 ROC B 505 57.585 -46.229 25.254 1.00 0.00 H HETATM 159 HZ ROC B 505 55.754 -47.649 24.389 1.00 0.00 H HETATM 160 HM1 ROC B 505 60.219 -48.323 21.811 1.00 0.00 H HETATM 161 HM2 ROC B 505 61.631 -48.701 22.791 1.00 0.00 H HETATM 162 H21 ROC B 505 62.291 -50.710 19.990 1.00 0.00 H HETATM 163 H311 ROC B 505 63.667 -51.532 21.953 1.00 0.00 H HETATM 164 H312 ROC B 505 63.529 -49.947 22.683 1.00 0.00 H HETATM 165 H3A ROC B 505 64.679 -50.608 19.926 1.00 0.00 H HETATM 166 H411 ROC B 505 65.910 -50.126 22.641 1.00 0.00 H HETATM 167 H412 ROC B 505 66.335 -51.283 21.391 1.00 0.00 H HETATM 168 H511 ROC B 505 68.062 -49.523 21.558 1.00 0.00 H HETATM 169 H512 ROC B 505 67.265 -49.445 19.995 1.00 0.00 H HETATM 170 H611 ROC B 505 67.189 -47.209 20.557 1.00 0.00 H HETATM 171 H612 ROC B 505 67.161 -47.505 22.286 1.00 0.00 H HETATM 172 H711 ROC B 505 64.874 -47.782 22.391 1.00 0.00 H HETATM 173 H712 ROC B 505 65.022 -46.548 21.133 1.00 0.00 H HETATM 174 H7A ROC B 505 65.012 -48.422 19.438 1.00 0.00 H HETATM 175 H811 ROC B 505 62.892 -47.065 20.094 1.00 0.00 H HETATM 176 H812 ROC B 505 62.882 -48.398 19.022 1.00 0.00 H HETATM 177 H3 ROC B 505 61.797 -52.681 20.644 1.00 0.00 H HETATM 178 H111 ROC B 505 61.426 -53.788 23.618 1.00 0.00 H HETATM 179 H112 ROC B 505 59.771 -54.408 23.746 1.00 0.00 H HETATM 180 H113 ROC B 505 60.085 -52.680 23.917 1.00 0.00 H HETATM 181 H221 ROC B 505 58.067 -53.878 21.831 1.00 0.00 H HETATM 182 H222 ROC B 505 58.604 -52.912 20.446 1.00 0.00 H HETATM 183 H223 ROC B 505 58.407 -52.158 22.029 1.00 0.00 H HETATM 184 H321 ROC B 505 59.904 -55.558 21.520 1.00 0.00 H HETATM 185 H322 ROC B 505 61.590 -55.034 21.372 1.00 0.00 H HETATM 186 H323 ROC B 505 60.442 -54.676 20.080 1.00 0.00 H CONECT 75 82 76 CONECT 76 75 83 77 79 CONECT 77 76 84 85 78 CONECT 78 77 86 CONECT 79 76 80 81 81 CONECT 80 79 CONECT 81 79 79 CONECT 82 75 CONECT 83 76 CONECT 84 77 CONECT 85 77 CONECT 86 78 CONECT 88 89 89 91 100 CONECT 89 88 88 CONECT 90 91 99 99 CONECT 91 88 90 92 92 CONECT 92 91 91 137 93 CONECT 93 92 138 98 98 CONECT 94 139 95 95 98 CONECT 95 94 94 140 96 CONECT 96 95 141 97 97 CONECT 97 96 96 142 99 CONECT 98 93 93 94 99 CONECT 99 90 90 97 98 CONECT 100 88 143 101 CONECT 101 100 144 102 104 CONECT 102 101 103 103 111 CONECT 103 102 102 CONECT 104 101 145 146 105 CONECT 105 104 106 106 107 CONECT 106 105 105 CONECT 107 105 147 148 CONECT 108 149 109 110 120 CONECT 109 108 150 CONECT 110 108 151 111 112 CONECT 111 102 110 152 CONECT 112 110 153 154 113 CONECT 113 112 114 114 115 CONECT 114 113 113 155 116 CONECT 115 113 156 117 117 CONECT 116 114 157 118 118 CONECT 117 115 115 158 118 CONECT 118 116 116 117 159 CONECT 119 120 121 131 CONECT 120 108 119 160 161 CONECT 121 119 162 122 124 CONECT 122 121 123 123 132 CONECT 123 122 122 CONECT 124 121 163 164 125 CONECT 125 124 165 126 130 CONECT 126 125 166 167 127 CONECT 127 126 168 169 128 CONECT 128 127 170 171 129 CONECT 129 128 172 173 130 CONECT 130 125 129 174 131 CONECT 131 119 130 175 176 CONECT 132 122 177 133 CONECT 133 132 134 135 136 CONECT 134 133 178 179 180 CONECT 135 133 181 182 183 CONECT 136 133 184 185 186 CONECT 137 92 CONECT 138 93 CONECT 139 94 CONECT 140 95 CONECT 141 96 CONECT 142 97 CONECT 143 100 CONECT 144 101 CONECT 145 104 CONECT 146 104 CONECT 147 107 CONECT 148 107 CONECT 149 108 CONECT 150 109 CONECT 151 110 CONECT 152 111 CONECT 153 112 CONECT 154 112 CONECT 155 114 CONECT 156 115 CONECT 157 116 CONECT 158 117 CONECT 159 118 CONECT 160 120 CONECT 161 120 CONECT 162 121 CONECT 163 124 CONECT 164 124 CONECT 165 125 CONECT 166 126 CONECT 167 126 CONECT 168 127 CONECT 169 127 CONECT 170 128 CONECT 171 128 CONECT 172 129 CONECT 173 129 CONECT 174 130 CONECT 175 131 CONECT 176 131 CONECT 177 132 CONECT 178 134 CONECT 179 134 CONECT 180 134 CONECT 181 135 CONECT 182 135 CONECT 183 135 CONECT 184 136 CONECT 185 136 CONECT 186 136 END