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*** 1FDN_EDA ***elNémo ID: 23030221253218589Job options:ID = 23030221253218589 JOBID = 1FDN_EDA USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 1FDN_EDA ATOM 1 N ALA A 1 9.611 24.690 63.812 1.00 11.15 N ATOM 2 CA ALA A 1 8.406 24.139 64.388 1.00 11.73 C ATOM 3 C ALA A 1 8.593 22.762 64.987 1.00 11.21 C ATOM 4 O ALA A 1 9.443 22.015 64.526 1.00 11.57 O ATOM 5 CB ALA A 1 7.321 24.011 63.339 1.00 11.49 C ATOM 6 N TYR A 2 7.902 22.454 66.060 1.00 11.24 N ATOM 7 CA TYR A 2 7.795 21.075 66.505 1.00 11.03 C ATOM 8 C TYR A 2 6.504 20.539 65.887 1.00 10.92 C ATOM 9 O TYR A 2 5.645 21.317 65.461 1.00 10.42 O ATOM 10 CB TYR A 2 7.664 20.949 68.023 1.00 11.10 C ATOM 11 CG TYR A 2 8.994 20.865 68.747 1.00 11.90 C ATOM 12 CD1 TYR A 2 9.986 21.815 68.482 1.00 11.44 C ATOM 13 CD2 TYR A 2 9.214 19.834 69.671 1.00 11.49 C ATOM 14 CE1 TYR A 2 11.209 21.742 69.146 1.00 11.59 C ATOM 15 CE2 TYR A 2 10.442 19.751 70.338 1.00 13.04 C ATOM 16 CZ TYR A 2 11.421 20.710 70.061 1.00 13.74 C ATOM 17 OH TYR A 2 12.652 20.633 70.674 1.00 14.24 O ATOM 18 N VAL A 3 6.341 19.223 65.770 1.00 9.50 N ATOM 19 CA VAL A 3 5.103 18.626 65.305 1.00 9.51 C ATOM 20 C VAL A 3 4.839 17.445 66.248 1.00 10.00 C ATOM 21 O VAL A 3 5.768 16.767 66.712 1.00 9.74 O ATOM 22 CB VAL A 3 5.271 18.199 63.809 1.00 8.75 C ATOM 23 CG1 VAL A 3 6.379 17.179 63.634 1.00 9.61 C ATOM 24 CG2 VAL A 3 3.957 17.620 63.311 1.00 9.83 C ATOM 25 N ILE A 4 3.587 17.263 66.657 1.00 9.05 N ATOM 26 CA ILE A 4 3.204 16.165 67.531 1.00 9.65 C ATOM 27 C ILE A 4 2.977 14.961 66.644 1.00 10.61 C ATOM 28 O ILE A 4 2.171 15.043 65.716 1.00 11.05 O ATOM 29 CB ILE A 4 1.941 16.587 68.304 1.00 8.61 C ATOM 30 CG1 ILE A 4 2.360 17.676 69.283 1.00 9.26 C ATOM 31 CG2 ILE A 4 1.323 15.427 69.064 1.00 7.79 C ATOM 32 CD1 ILE A 4 1.239 18.368 70.064 1.00 10.35 C ATOM 33 N ASN A 5 3.717 13.878 66.858 1.00 10.52 N ATOM 34 CA ASN A 5 3.551 12.729 65.991 1.00 11.91 C ATOM 35 C ASN A 5 2.482 11.763 66.487 1.00 12.50 C ATOM 36 O ASN A 5 1.794 12.018 67.477 1.00 11.77 O ATOM 37 CB ASN A 5 4.928 12.033 65.826 1.00 13.38 C ATOM 38 CG ASN A 5 5.545 11.386 67.055 1.00 13.93 C ATOM 39 OD1 ASN A 5 4.853 10.975 67.986 1.00 15.00 O ATOM 40 ND2 ASN A 5 6.867 11.269 67.114 1.00 13.74 N ATOM 41 N GLU A 6 2.365 10.586 65.880 1.00 13.65 N ATOM 42 CA GLU A 6 1.298 9.656 66.203 1.00 14.52 C ATOM 43 C GLU A 6 1.336 8.975 67.553 1.00 13.73 C ATOM 44 O GLU A 6 0.359 8.344 67.939 1.00 14.42 O ATOM 45 CB GLU A 6 1.250 8.610 65.111 1.00 16.54 C ATOM 46 CG GLU A 6 0.683 9.222 63.841 1.00 20.90 C ATOM 47 CD GLU A 6 0.736 8.344 62.594 1.00 23.76 C ATOM 48 OE1 GLU A 6 1.029 7.151 62.694 1.00 24.78 O ATOM 49 OE2 GLU A 6 0.487 8.876 61.508 1.00 26.96 O ATOM 50 N ALA A 7 2.443 9.071 68.274 1.00 11.73 N ATOM 51 CA ALA A 7 2.512 8.504 69.598 1.00 11.89 C ATOM 52 C ALA A 7 1.608 9.233 70.601 1.00 11.54 C ATOM 53 O ALA A 7 1.353 8.663 71.657 1.00 11.54 O ATOM 54 CB ALA A 7 3.952 8.550 70.098 1.00 11.60 C ATOM 55 N CYS A 8 1.131 10.460 70.328 1.00 10.85 N ATOM 56 CA CYS A 8 0.296 11.226 71.241 1.00 10.12 C ATOM 57 C CYS A 8 -0.900 10.438 71.742 1.00 10.87 C ATOM 58 O CYS A 8 -1.654 9.855 70.962 1.00 11.93 O ATOM 59 CB CYS A 8 -0.208 12.503 70.545 1.00 9.11 C ATOM 60 SG CYS A 8 -1.257 13.598 71.545 1.00 8.20 S ATOM 61 N ILE A 9 -1.056 10.442 73.066 1.00 10.87 N ATOM 62 CA ILE A 9 -2.195 9.766 73.670 1.00 11.39 C ATOM 63 C ILE A 9 -3.261 10.759 74.124 1.00 11.90 C ATOM 64 O ILE A 9 -4.154 10.400 74.891 1.00 10.44 O ATOM 65 CB ILE A 9 -1.721 8.877 74.880 1.00 11.20 C ATOM 66 CG1 ILE A 9 -0.970 9.694 75.938 1.00 11.40 C ATOM 67 CG2 ILE A 9 -0.867 7.740 74.316 1.00 10.03 C ATOM 68 CD1 ILE A 9 -0.616 8.916 77.222 1.00 12.01 C ATOM 69 N SER A 10 -3.192 12.030 73.689 1.00 11.95 N ATOM 70 CA SER A 10 -4.176 13.057 74.024 1.00 11.90 C ATOM 71 C SER A 10 -4.473 13.283 75.504 1.00 12.14 C ATOM 72 O SER A 10 -5.595 13.520 75.949 1.00 11.02 O ATOM 73 CB SER A 10 -5.474 12.739 73.267 1.00 12.54 C ATOM 74 OG SER A 10 -5.264 12.826 71.866 1.00 15.45 O ATOM 75 N CYS A 11 -3.391 13.235 76.279 1.00 11.68 N ATOM 76 CA CYS A 11 -3.468 13.467 77.705 1.00 11.60 C ATOM 77 C CYS A 11 -3.704 14.944 78.061 1.00 12.35 C ATOM 78 O CYS A 11 -4.143 15.290 79.160 1.00 12.98 O ATOM 79 CB CYS A 11 -2.163 12.930 78.284 1.00 11.60 C ATOM 80 SG CYS A 11 -0.693 13.981 78.230 1.00 10.69 S ATOM 81 N GLY A 12 -3.320 15.857 77.157 1.00 10.84 N ATOM 82 CA GLY A 12 -3.537 17.273 77.379 1.00 11.08 C ATOM 83 C GLY A 12 -2.511 17.966 78.251 1.00 10.77 C ATOM 84 O GLY A 12 -2.591 19.188 78.417 1.00 11.10 O ATOM 85 N ALA A 13 -1.497 17.281 78.771 1.00 11.49 N ATOM 86 CA ALA A 13 -0.536 17.912 79.664 1.00 11.69 C ATOM 87 C ALA A 13 0.335 19.015 79.058 1.00 12.34 C ATOM 88 O ALA A 13 0.692 19.978 79.766 1.00 13.43 O ATOM 89 CB ALA A 13 0.381 16.842 80.254 1.00 13.26 C ATOM 90 N CYS A 14 0.598 18.949 77.744 1.00 11.14 N ATOM 91 CA CYS A 14 1.445 19.925 77.095 1.00 11.60 C ATOM 92 C CYS A 14 0.758 21.242 76.830 1.00 12.58 C ATOM 93 O CYS A 14 1.420 22.281 76.887 1.00 13.50 O ATOM 94 CB CYS A 14 1.959 19.433 75.765 1.00 10.21 C ATOM 95 SG CYS A 14 0.630 18.855 74.679 1.00 10.58 S ATOM 96 N GLU A 15 -0.558 21.243 76.594 1.00 13.00 N ATOM 97 CA GLU A 15 -1.233 22.468 76.209 1.00 14.98 C ATOM 98 C GLU A 15 -1.027 23.669 77.132 1.00 14.53 C ATOM 99 O GLU A 15 -0.616 24.704 76.599 1.00 12.83 O ATOM 100 CB GLU A 15 -2.733 22.195 76.047 1.00 17.08 C ATOM 101 CG GLU A 15 -3.470 23.465 75.615 1.00 21.32 C ATOM 102 CD GLU A 15 -4.926 23.266 75.240 1.00 24.57 C ATOM 103 OE1 GLU A 15 -5.631 22.506 75.911 1.00 26.31 O ATOM 104 OE2 GLU A 15 -5.346 23.888 74.266 1.00 27.83 O ATOM 105 N PRO A 16 -1.211 23.642 78.463 1.00 15.21 N ATOM 106 CA PRO A 16 -0.917 24.763 79.344 1.00 15.10 C ATOM 107 C PRO A 16 0.546 25.160 79.352 1.00 15.41 C ATOM 108 O PRO A 16 0.864 26.301 79.688 1.00 16.54 O ATOM 109 CB PRO A 16 -1.361 24.337 80.719 1.00 15.86 C ATOM 110 CG PRO A 16 -2.288 23.181 80.477 1.00 16.42 C ATOM 111 CD PRO A 16 -1.638 22.506 79.281 1.00 15.36 C ATOM 112 N GLU A 17 1.452 24.238 79.017 1.00 14.95 N ATOM 113 CA GLU A 17 2.855 24.518 79.193 1.00 14.36 C ATOM 114 C GLU A 17 3.564 25.242 78.066 1.00 13.69 C ATOM 115 O GLU A 17 4.678 25.732 78.301 1.00 12.55 O ATOM 116 CB GLU A 17 3.561 23.198 79.518 1.00 16.92 C ATOM 117 CG GLU A 17 3.071 22.604 80.856 1.00 20.21 C ATOM 118 CD GLU A 17 3.122 23.575 82.043 1.00 22.30 C ATOM 119 OE1 GLU A 17 4.211 24.034 82.389 1.00 22.35 O ATOM 120 OE2 GLU A 17 2.066 23.872 82.614 1.00 24.45 O ATOM 121 N CYS A 18 2.923 25.334 76.894 1.00 11.61 N ATOM 122 CA CYS A 18 3.486 26.069 75.782 1.00 11.47 C ATOM 123 C CYS A 18 3.565 27.554 76.149 1.00 10.96 C ATOM 124 O CYS A 18 2.508 28.170 76.343 1.00 9.92 O ATOM 125 CB CYS A 18 2.607 25.905 74.547 1.00 11.17 C ATOM 126 SG CYS A 18 3.323 26.760 73.127 1.00 9.74 S ATOM 127 N PRO A 19 4.737 28.216 76.161 1.00 11.67 N ATOM 128 CA PRO A 19 4.849 29.627 76.500 1.00 12.43 C ATOM 129 C PRO A 19 4.149 30.548 75.511 1.00 12.14 C ATOM 130 O PRO A 19 3.868 31.690 75.864 1.00 14.00 O ATOM 131 CB PRO A 19 6.353 29.858 76.612 1.00 12.50 C ATOM 132 CG PRO A 19 6.951 28.856 75.665 1.00 12.76 C ATOM 133 CD PRO A 19 6.058 27.635 75.910 1.00 12.19 C ATOM 134 N VAL A 20 3.855 30.121 74.279 1.00 11.40 N ATOM 135 CA VAL A 20 3.194 30.996 73.325 1.00 11.12 C ATOM 136 C VAL A 20 1.834 30.479 72.873 1.00 11.80 C ATOM 137 O VAL A 20 1.300 30.918 71.851 1.00 11.56 O ATOM 138 CB VAL A 20 4.123 31.232 72.092 1.00 9.99 C ATOM 139 CG1 VAL A 20 5.328 32.042 72.553 1.00 10.12 C ATOM 140 CG2 VAL A 20 4.559 29.926 71.455 1.00 9.62 C ATOM 141 N ASN A 21 1.243 29.541 73.624 1.00 11.97 N ATOM 142 CA ASN A 21 -0.096 29.011 73.359 1.00 13.20 C ATOM 143 C ASN A 21 -0.241 28.409 71.960 1.00 12.84 C ATOM 144 O ASN A 21 -1.267 28.555 71.279 1.00 12.50 O ATOM 145 CB ASN A 21 -1.137 30.142 73.571 1.00 14.64 C ATOM 146 CG ASN A 21 -2.588 29.683 73.579 0.50 16.26 C ATOM 147 OD1 ASN A 21 -3.002 28.950 74.470 0.50 18.53 O ATOM 148 ND2 ASN A 21 -3.409 30.038 72.593 0.50 17.88 N ATOM 149 N ALA A 22 0.787 27.698 71.490 1.00 11.63 N ATOM 150 CA ALA A 22 0.718 27.152 70.145 1.00 11.40 C ATOM 151 C ALA A 22 0.008 25.798 70.039 1.00 11.64 C ATOM 152 O ALA A 22 -0.290 25.354 68.920 1.00 10.90 O ATOM 153 CB ALA A 22 2.137 27.018 69.574 1.00 10.54 C ATOM 154 N ILE A 23 -0.325 25.148 71.161 1.00 11.05 N ATOM 155 CA ILE A 23 -0.908 23.818 71.144 1.00 11.78 C ATOM 156 C ILE A 23 -2.409 23.851 71.373 1.00 12.50 C ATOM 157 O ILE A 23 -2.887 24.582 72.236 1.00 12.22 O ATOM 158 CB ILE A 23 -0.234 22.943 72.242 1.00 11.58 C ATOM 159 CG1 ILE A 23 1.255 22.853 71.942 1.00 11.72 C ATOM 160 CG2 ILE A 23 -0.861 21.534 72.308 1.00 11.29 C ATOM 161 CD1 ILE A 23 2.060 22.037 72.974 1.00 10.72 C ATOM 162 N SER A 24 -3.160 23.086 70.596 1.00 13.18 N ATOM 163 CA SER A 24 -4.568 22.902 70.853 1.00 15.86 C ATOM 164 C SER A 24 -4.952 21.430 70.648 1.00 17.09 C ATOM 165 O SER A 24 -4.181 20.607 70.124 1.00 15.67 O ATOM 166 CB SER A 24 -5.381 23.805 69.927 1.00 15.91 C ATOM 167 OG SER A 24 -5.156 23.541 68.554 1.00 19.88 O ATOM 168 N SER A 25 -6.122 21.055 71.149 1.00 19.09 N ATOM 169 CA SER A 25 -6.659 19.719 71.003 1.00 22.36 C ATOM 170 C SER A 25 -7.171 19.570 69.579 1.00 23.52 C ATOM 171 O SER A 25 -7.838 20.468 69.064 1.00 24.49 O ATOM 172 CB SER A 25 -7.778 19.554 72.010 1.00 22.89 C ATOM 173 OG SER A 25 -8.152 18.209 72.221 1.00 28.19 O ATOM 174 N GLY A 26 -6.847 18.466 68.927 1.00 25.26 N ATOM 175 CA GLY A 26 -7.345 18.240 67.584 1.00 27.53 C ATOM 176 C GLY A 26 -8.099 16.922 67.496 1.00 28.76 C ATOM 177 O GLY A 26 -8.475 16.300 68.496 1.00 29.17 O ATOM 178 N ASP A 27 -8.411 16.508 66.270 1.00 29.48 N ATOM 179 CA ASP A 27 -8.990 15.195 66.041 1.00 30.30 C ATOM 180 C ASP A 27 -7.828 14.223 66.048 1.00 30.63 C ATOM 181 O ASP A 27 -6.859 14.502 65.337 1.00 32.93 O ATOM 182 CB ASP A 27 -9.701 15.145 64.676 1.00 63.01 C ATOM 183 CG ASP A 27 -11.007 15.874 64.644 1.00 58.53 C ATOM 184 OD1 ASP A 27 -12.027 15.262 64.935 1.00 59.05 O ATOM 185 OD2 ASP A 27 -11.024 17.059 64.337 1.00 33.74 O ATOM 186 N ASP A 28 -7.889 13.148 66.846 1.00 29.36 N ATOM 187 CA ASP A 28 -6.865 12.108 66.904 1.00 27.48 C ATOM 188 C ASP A 28 -5.689 12.433 67.814 1.00 26.18 C ATOM 189 O ASP A 28 -5.339 11.579 68.633 1.00 27.46 O ATOM 190 CB ASP A 28 -6.268 11.767 65.530 1.00 62.88 C ATOM 191 CG ASP A 28 -7.055 10.774 64.672 1.00 59.56 C ATOM 192 OD1 ASP A 28 -6.766 9.613 64.885 1.00 53.65 O ATOM 193 OD2 ASP A 28 -7.905 11.141 63.864 1.00 34.86 O ATOM 194 N ARG A 29 -5.116 13.631 67.736 1.00 23.20 N ATOM 195 CA ARG A 29 -3.979 14.002 68.558 1.00 19.26 C ATOM 196 C ARG A 29 -4.007 15.510 68.698 1.00 16.80 C ATOM 197 O ARG A 29 -4.824 16.209 68.081 1.00 16.14 O ATOM 198 CB ARG A 29 -2.631 13.571 67.918 1.00 20.06 C ATOM 199 CG ARG A 29 -2.341 13.983 66.474 1.00 21.59 C ATOM 200 CD ARG A 29 -1.016 13.410 65.958 1.00 23.16 C ATOM 201 NE ARG A 29 -1.164 12.799 64.637 1.00 24.36 N ATOM 202 CZ ARG A 29 -0.322 13.011 63.611 1.00 24.01 C ATOM 203 NH1 ARG A 29 0.735 13.815 63.684 1.00 22.62 N ATOM 204 NH2 ARG A 29 -0.529 12.393 62.456 1.00 25.24 N ATOM 205 N TYR A 30 -3.171 16.015 69.596 1.00 13.42 N ATOM 206 CA TYR A 30 -3.008 17.449 69.761 1.00 11.94 C ATOM 207 C TYR A 30 -2.216 18.031 68.582 1.00 9.50 C ATOM 208 O TYR A 30 -1.499 17.306 67.894 1.00 8.73 O ATOM 209 CB TYR A 30 -2.314 17.688 71.110 1.00 11.45 C ATOM 210 CG TYR A 30 -3.327 17.705 72.254 1.00 11.86 C ATOM 211 CD1 TYR A 30 -4.097 16.569 72.550 1.00 11.14 C ATOM 212 CD2 TYR A 30 -3.499 18.880 72.996 1.00 11.58 C ATOM 213 CE1 TYR A 30 -5.037 16.612 73.587 1.00 11.54 C ATOM 214 CE2 TYR A 30 -4.437 18.928 74.033 1.00 12.05 C ATOM 215 CZ TYR A 30 -5.195 17.793 74.310 1.00 12.25 C ATOM 216 OH TYR A 30 -6.158 17.869 75.291 1.00 14.17 O ATOM 217 N VAL A 31 -2.317 19.323 68.295 1.00 9.09 N ATOM 218 CA VAL A 31 -1.689 19.937 67.126 1.00 10.26 C ATOM 219 C VAL A 31 -0.913 21.180 67.501 1.00 8.89 C ATOM 220 O VAL A 31 -1.352 21.954 68.354 1.00 7.75 O ATOM 221 CB VAL A 31 -2.640 20.486 66.020 1.00 12.44 C ATOM 222 CG1 VAL A 31 -2.202 19.854 64.728 1.00 13.68 C ATOM 223 CG2 VAL A 31 -4.102 20.305 66.352 1.00 13.97 C ATOM 224 N ILE A 32 0.220 21.374 66.831 1.00 8.63 N ATOM 225 CA ILE A 32 1.021 22.573 67.005 1.00 8.70 C ATOM 226 C ILE A 32 0.768 23.554 65.870 1.00 7.88 C ATOM 227 O ILE A 32 0.728 23.186 64.695 1.00 7.76 O ATOM 228 CB ILE A 32 2.506 22.172 67.058 1.00 8.80 C ATOM 229 CG1 ILE A 32 2.716 21.409 68.362 1.00 9.94 C ATOM 230 CG2 ILE A 32 3.437 23.402 66.955 1.00 8.54 C ATOM 231 CD1 ILE A 32 4.112 20.804 68.599 1.00 9.93 C ATOM 232 N ASP A 33 0.525 24.811 66.208 1.00 8.36 N ATOM 233 CA ASP A 33 0.465 25.867 65.213 1.00 8.37 C ATOM 234 C ASP A 33 1.915 26.201 64.836 1.00 8.89 C ATOM 235 O ASP A 33 2.643 26.905 65.559 1.00 8.39 O ATOM 236 CB ASP A 33 -0.225 27.086 65.815 1.00 9.86 C ATOM 237 CG ASP A 33 -0.245 28.374 64.983 1.00 13.64 C ATOM 238 OD1 ASP A 33 0.093 28.378 63.799 1.00 14.22 O ATOM 239 OD2 ASP A 33 -0.608 29.406 65.550 1.00 15.42 O ATOM 240 N ALA A 34 2.336 25.777 63.645 1.00 8.65 N ATOM 241 CA ALA A 34 3.700 25.983 63.187 1.00 9.00 C ATOM 242 C ALA A 34 4.003 27.450 62.950 1.00 9.78 C ATOM 243 O ALA A 34 5.166 27.843 62.916 1.00 10.43 O ATOM 244 CB ALA A 34 3.939 25.229 61.889 1.00 8.96 C ATOM 245 N ASP A 35 2.997 28.304 62.799 1.00 10.15 N ATOM 246 CA ASP A 35 3.281 29.718 62.631 1.00 11.42 C ATOM 247 C ASP A 35 3.473 30.454 63.944 1.00 11.25 C ATOM 248 O ASP A 35 3.684 31.665 63.918 1.00 11.95 O ATOM 249 CB ASP A 35 2.156 30.357 61.818 1.00 13.41 C ATOM 250 CG ASP A 35 2.080 29.898 60.369 1.00 16.24 C ATOM 251 OD1 ASP A 35 3.085 29.474 59.786 1.00 17.23 O ATOM 252 OD2 ASP A 35 0.982 29.971 59.825 1.00 18.53 O ATOM 253 N THR A 36 3.413 29.768 65.086 1.00 10.60 N ATOM 254 CA THR A 36 3.618 30.386 66.386 1.00 11.00 C ATOM 255 C THR A 36 4.731 29.698 67.165 1.00 11.08 C ATOM 256 O THR A 36 5.380 30.339 67.992 1.00 12.13 O ATOM 257 CB THR A 36 2.277 30.336 67.165 1.00 11.03 C ATOM 258 OG1 THR A 36 1.356 31.054 66.354 1.00 14.14 O ATOM 259 CG2 THR A 36 2.300 30.964 68.544 1.00 12.30 C ATOM 260 N CYS A 37 4.968 28.408 66.917 1.00 10.99 N ATOM 261 CA CYS A 37 5.969 27.645 67.630 1.00 10.45 C ATOM 262 C CYS A 37 7.353 28.258 67.483 1.00 10.71 C ATOM 263 O CYS A 37 7.825 28.523 66.368 1.00 10.92 O ATOM 264 CB CYS A 37 5.977 26.211 67.095 1.00 9.84 C ATOM 265 SG CYS A 37 7.181 25.162 67.937 1.00 9.24 S ATOM 266 N ILE A 38 8.030 28.423 68.614 1.00 11.43 N ATOM 267 CA ILE A 38 9.384 28.944 68.558 1.00 11.87 C ATOM 268 C ILE A 38 10.442 27.917 68.975 1.00 12.42 C ATOM 269 O ILE A 38 11.534 28.275 69.420 1.00 12.99 O ATOM 270 CB ILE A 38 9.463 30.277 69.419 1.00 12.86 C ATOM 271 CG1 ILE A 38 8.666 30.265 70.714 1.00 12.91 C ATOM 272 CG2 ILE A 38 8.883 31.389 68.553 1.00 12.64 C ATOM 273 CD1 ILE A 38 9.161 29.324 71.820 1.00 13.51 C ATOM 274 N ASP A 39 10.175 26.603 68.825 1.00 12.67 N ATOM 275 CA ASP A 39 11.133 25.519 69.087 1.00 12.49 C ATOM 276 C ASP A 39 11.761 25.409 70.470 1.00 12.79 C ATOM 277 O ASP A 39 12.884 24.926 70.627 1.00 13.83 O ATOM 278 CB ASP A 39 12.282 25.580 68.070 1.00 12.59 C ATOM 279 CG ASP A 39 11.885 25.354 66.628 1.00 15.36 C ATOM 280 OD1 ASP A 39 10.933 24.615 66.371 1.00 14.93 O ATOM 281 OD2 ASP A 39 12.553 25.916 65.764 1.00 16.07 O ATOM 282 N CYS A 40 11.024 25.792 71.497 1.00 11.64 N ATOM 283 CA CYS A 40 11.557 25.752 72.836 1.00 11.51 C ATOM 284 C CYS A 40 11.718 24.358 73.416 1.00 11.98 C ATOM 285 O CYS A 40 12.442 24.155 74.395 1.00 12.97 O ATOM 286 CB CYS A 40 10.639 26.593 73.695 1.00 10.73 C ATOM 287 SG CYS A 40 9.070 25.962 74.343 1.00 10.55 S ATOM 288 N GLY A 41 10.972 23.386 72.881 1.00 10.58 N ATOM 289 CA GLY A 41 11.030 22.023 73.392 1.00 10.61 C ATOM 290 C GLY A 41 10.247 21.793 74.686 1.00 11.07 C ATOM 291 O GLY A 41 10.228 20.649 75.162 1.00 11.51 O ATOM 292 N ALA A 42 9.560 22.768 75.304 1.00 10.90 N ATOM 293 CA ALA A 42 8.819 22.536 76.554 1.00 11.25 C ATOM 294 C ALA A 42 7.768 21.422 76.508 1.00 10.11 C ATOM 295 O ALA A 42 7.699 20.593 77.431 1.00 10.31 O ATOM 296 CB ALA A 42 8.115 23.822 76.986 1.00 10.80 C ATOM 297 N CYS A 43 7.015 21.326 75.409 1.00 9.81 N ATOM 298 CA CYS A 43 5.983 20.319 75.241 1.00 10.28 C ATOM 299 C CYS A 43 6.554 18.913 75.252 1.00 10.51 C ATOM 300 O CYS A 43 5.997 18.025 75.888 1.00 9.88 O ATOM 301 CB CYS A 43 5.230 20.542 73.933 1.00 9.78 C ATOM 302 SG CYS A 43 6.282 20.864 72.496 1.00 9.64 S ATOM 303 N ALA A 44 7.711 18.704 74.613 1.00 9.51 N ATOM 304 CA ALA A 44 8.352 17.399 74.628 1.00 10.81 C ATOM 305 C ALA A 44 8.778 17.041 76.055 1.00 10.71 C ATOM 306 O ALA A 44 8.678 15.888 76.484 1.00 10.23 O ATOM 307 CB ALA A 44 9.591 17.399 73.734 1.00 10.22 C ATOM 308 N GLY A 45 9.196 18.030 76.860 1.00 10.66 N ATOM 309 CA GLY A 45 9.630 17.812 78.234 1.00 10.04 C ATOM 310 C GLY A 45 8.517 17.371 79.168 1.00 10.42 C ATOM 311 O GLY A 45 8.785 16.747 80.204 1.00 10.86 O ATOM 312 N VAL A 46 7.267 17.725 78.883 1.00 10.23 N ATOM 313 CA VAL A 46 6.167 17.268 79.722 1.00 9.97 C ATOM 314 C VAL A 46 5.352 16.159 79.055 1.00 9.82 C ATOM 315 O VAL A 46 4.348 15.709 79.610 1.00 10.73 O ATOM 316 CB VAL A 46 5.222 18.466 80.117 1.00 9.83 C ATOM 317 CG1 VAL A 46 6.021 19.433 80.996 1.00 9.49 C ATOM 318 CG2 VAL A 46 4.674 19.198 78.898 1.00 9.19 C ATOM 319 N CYS A 47 5.813 15.644 77.917 1.00 9.39 N ATOM 320 CA CYS A 47 5.117 14.582 77.240 1.00 9.84 C ATOM 321 C CYS A 47 5.560 13.214 77.740 1.00 8.72 C ATOM 322 O CYS A 47 6.703 12.813 77.516 1.00 8.61 O ATOM 323 CB CYS A 47 5.368 14.644 75.759 1.00 10.01 C ATOM 324 SG CYS A 47 4.285 13.480 74.893 1.00 9.24 S ATOM 325 N PRO A 48 4.683 12.402 78.330 1.00 9.38 N ATOM 326 CA PRO A 48 5.011 11.063 78.807 1.00 11.10 C ATOM 327 C PRO A 48 5.506 10.122 77.714 1.00 12.10 C ATOM 328 O PRO A 48 6.367 9.283 77.967 1.00 13.62 O ATOM 329 CB PRO A 48 3.726 10.600 79.473 1.00 10.12 C ATOM 330 CG PRO A 48 2.638 11.296 78.690 1.00 10.42 C ATOM 331 CD PRO A 48 3.253 12.675 78.495 1.00 9.21 C ATOM 332 N VAL A 49 4.977 10.272 76.498 1.00 12.17 N ATOM 333 CA VAL A 49 5.329 9.404 75.392 1.00 12.37 C ATOM 334 C VAL A 49 6.282 10.063 74.403 1.00 13.04 C ATOM 335 O VAL A 49 6.543 9.499 73.343 1.00 14.77 O ATOM 336 CB VAL A 49 4.028 8.939 74.658 1.00 12.46 C ATOM 337 CG1 VAL A 49 3.213 8.045 75.593 1.00 12.58 C ATOM 338 CG2 VAL A 49 3.186 10.144 74.222 1.00 11.00 C ATOM 339 N ASP A 50 6.769 11.275 74.709 1.00 12.96 N ATOM 340 CA ASP A 50 7.684 12.052 73.880 1.00 12.73 C ATOM 341 C ASP A 50 7.225 12.226 72.428 1.00 12.16 C ATOM 342 O ASP A 50 7.990 12.079 71.470 1.00 12.28 O ATOM 343 CB ASP A 50 9.070 11.379 73.958 1.00 14.80 C ATOM 344 CG ASP A 50 10.253 12.282 73.636 1.00 16.12 C ATOM 345 OD1 ASP A 50 10.298 13.429 74.086 1.00 17.14 O ATOM 346 OD2 ASP A 50 11.147 11.817 72.937 1.00 18.93 O ATOM 347 N ALA A 51 5.944 12.555 72.248 1.00 10.59 N ATOM 348 CA ALA A 51 5.395 12.753 70.913 1.00 10.95 C ATOM 349 C ALA A 51 5.768 14.035 70.153 1.00 11.26 C ATOM 350 O ALA A 51 5.825 13.959 68.912 1.00 11.71 O ATOM 351 CB ALA A 51 3.868 12.671 70.976 1.00 8.84 C ATOM 352 N PRO A 52 6.000 15.227 70.742 1.00 10.41 N ATOM 353 CA PRO A 52 6.460 16.409 70.023 1.00 9.53 C ATOM 354 C PRO A 52 7.896 16.212 69.552 1.00 10.02 C ATOM 355 O PRO A 52 8.769 15.921 70.376 1.00 7.98 O ATOM 356 CB PRO A 52 6.307 17.554 71.015 1.00 9.20 C ATOM 357 CG PRO A 52 5.280 17.048 71.993 1.00 9.84 C ATOM 358 CD PRO A 52 5.681 15.592 72.120 1.00 9.31 C ATOM 359 N VAL A 53 8.170 16.367 68.253 1.00 10.40 N ATOM 360 CA VAL A 53 9.519 16.247 67.727 1.00 12.01 C ATOM 361 C VAL A 53 9.804 17.460 66.856 1.00 12.49 C ATOM 362 O VAL A 53 8.916 18.038 66.217 1.00 11.32 O ATOM 363 CB VAL A 53 9.724 14.953 66.870 1.00 12.73 C ATOM 364 CG1 VAL A 53 9.619 13.719 67.765 1.00 13.04 C ATOM 365 CG2 VAL A 53 8.661 14.832 65.805 1.00 13.94 C ATOM 366 N GLN A 54 11.043 17.930 66.892 1.00 13.66 N ATOM 367 CA GLN A 54 11.475 19.057 66.085 1.00 14.74 C ATOM 368 C GLN A 54 11.593 18.646 64.627 1.00 14.89 C ATOM 369 O GLN A 54 12.192 17.612 64.316 1.00 14.96 O ATOM 370 CB GLN A 54 12.810 19.547 66.604 1.00 16.61 C ATOM 371 CG GLN A 54 13.305 20.802 65.916 1.00 19.41 C ATOM 372 CD GLN A 54 14.300 21.580 66.749 1.00 22.23 C ATOM 373 OE1 GLN A 54 14.926 20.984 67.621 1.00 24.69 O ATOM 374 NE2 GLN A 54 14.545 22.874 66.562 1.00 22.97 N ATOM 375 N ALA A 55 10.944 19.443 63.797 1.00 15.58 N ATOM 376 CA ALA A 55 10.963 19.288 62.360 1.00 17.56 C ATOM 377 C ALA A 55 11.639 20.488 61.674 1.00 20.19 C ATOM 378 O ALA A 55 11.963 21.481 62.349 1.00 21.27 O ATOM 379 CB ALA A 55 9.535 19.161 61.853 1.00 17.65 C ATOM 380 OXT ALA A 55 11.826 20.430 60.457 1.00 21.80 O TER 381 ALA A 55 HETATM 382 FE1 SF4 B 56 2.260 14.394 74.719 1.00 10.77 FE HETATM 383 FE2 SF4 B 56 0.728 16.628 74.564 1.00 10.52 FE HETATM 384 FE3 SF4 B 56 -0.061 14.381 73.264 1.00 10.25 FE HETATM 385 FE4 SF4 B 56 -0.098 14.443 76.081 1.00 11.02 FE HETATM 386 S1 SF4 B 56 -1.348 15.643 74.660 1.00 10.48 S HETATM 387 S2 SF4 B 56 0.583 12.793 74.702 1.00 10.90 S HETATM 388 S3 SF4 B 56 1.661 15.767 76.430 1.00 9.67 S HETATM 389 S4 SF4 B 56 1.808 15.575 72.849 1.00 9.54 S TER HETATM 390 FE1 SF4 C 57 5.014 25.513 72.285 1.00 10.77 FE HETATM 391 FE2 SF4 C 57 6.208 23.060 72.024 1.00 10.23 FE HETATM 392 FE3 SF4 C 57 6.588 24.973 70.112 1.00 10.49 FE HETATM 393 FE4 SF4 C 57 7.688 25.302 72.660 1.00 10.61 FE HETATM 394 S1 SF4 C 57 8.216 23.741 71.127 1.00 9.69 S HETATM 395 S2 SF4 C 57 6.636 26.830 71.364 1.00 9.97 S HETATM 396 S3 SF4 C 57 6.104 24.336 73.877 1.00 9.79 S HETATM 397 S4 SF4 C 57 4.631 23.969 70.683 1.00 9.39 S END If you find results from this site helpful for your research, please cite one of our papers:
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