 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** 5pti ***elNémo ID: 23040118105965723Job options:ID = 23040118105965723 JOBID = 5pti 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 5pti REMARK Selection '(not name "D") and (not hydrogen)' ATOM 1 N ARG A 1 32.231 15.281 -13.143 1.00 28.28 N ATOM 2 CA ARG A 1 32.184 14.697 -11.772 1.00 27.90 C ATOM 3 C ARG A 1 33.438 13.890 -11.387 1.00 24.90 C ATOM 4 O ARG A 1 34.102 13.070 -12.066 1.00 24.44 O ATOM 5 CB ARG A 1 30.797 14.065 -11.625 1.00 27.88 C ATOM 6 CG ARG A 1 30.976 12.589 -11.819 1.00 29.61 C ATOM 7 CD ARG A 1 29.608 12.016 -11.694 1.00 31.91 C ATOM 8 NE ARG A 1 28.942 12.335 -12.945 1.00 33.51 N ATOM 9 CZ ARG A 1 27.670 12.696 -13.050 1.00 34.29 C ATOM 10 NH1 ARG A 1 26.901 12.777 -11.999 1.00 34.48 N ATOM 11 NH2 ARG A 1 27.161 12.963 -14.255 1.00 35.44 N ATOM 12 N PRO A 2 33.738 14.173 -10.126 1.00 22.41 N ATOM 13 CA PRO A 2 34.897 13.603 -9.390 1.00 19.52 C ATOM 14 C PRO A 2 34.652 12.135 -9.374 1.00 17.70 C ATOM 15 O PRO A 2 33.583 11.537 -9.255 1.00 16.41 O ATOM 16 CB PRO A 2 34.826 14.292 -8.056 1.00 21.00 C ATOM 17 CG PRO A 2 33.927 15.515 -8.135 1.00 20.91 C ATOM 18 CD PRO A 2 32.967 15.143 -9.243 1.00 22.49 C ATOM 19 N ASP A 3 35.790 11.466 -9.466 1.00 16.15 N ATOM 20 CA ASP A 3 35.837 10.014 -9.507 1.00 17.15 C ATOM 21 C ASP A 3 35.296 9.402 -8.236 1.00 13.33 C ATOM 22 O ASP A 3 34.812 8.288 -8.260 1.00 12.36 O ATOM 23 CB ASP A 3 37.124 9.634 -10.244 1.00 24.92 C ATOM 24 CG ASP A 3 36.968 9.957 -11.773 1.00 31.50 C ATOM 25 OD1 ASP A 3 37.083 11.141 -12.174 1.00 35.71 O ATOM 26 OD2 ASP A 3 36.712 9.158 -12.735 1.00 35.43 O ATOM 27 N PHE A 4 35.466 10.210 -7.174 1.00 12.38 N ATOM 28 CA PHE A 4 34.975 9.704 -5.855 1.00 13.61 C ATOM 29 C PHE A 4 33.438 9.514 -5.843 1.00 13.10 C ATOM 30 O PHE A 4 32.937 8.733 -5.020 1.00 13.82 O ATOM 31 CB PHE A 4 35.435 10.423 -4.613 1.00 12.65 C ATOM 32 CG PHE A 4 34.960 11.819 -4.512 1.00 12.81 C ATOM 33 CD1 PHE A 4 33.708 12.036 -3.946 1.00 12.38 C ATOM 34 CD2 PHE A 4 35.717 12.897 -4.923 1.00 13.29 C ATOM 35 CE1 PHE A 4 33.249 13.321 -3.826 1.00 14.62 C ATOM 36 CE2 PHE A 4 35.276 14.180 -4.764 1.00 14.01 C ATOM 37 CZ PHE A 4 33.998 14.423 -4.229 1.00 13.69 C ATOM 38 N CYS A 5 32.757 10.236 -6.732 1.00 12.49 N ATOM 39 CA CYS A 5 31.286 10.029 -6.794 1.00 10.18 C ATOM 40 C CYS A 5 30.864 8.652 -7.254 1.00 10.29 C ATOM 41 O CYS A 5 29.690 8.279 -7.116 1.00 10.73 O ATOM 42 CB CYS A 5 30.794 11.065 -7.789 1.00 10.74 C ATOM 43 SG CYS A 5 31.075 12.797 -7.325 1.00 12.66 S ATOM 44 N LEU A 6 31.740 7.909 -7.843 1.00 10.75 N ATOM 45 CA LEU A 6 31.467 6.583 -8.351 1.00 12.75 C ATOM 46 C LEU A 6 31.799 5.589 -7.246 1.00 13.85 C ATOM 47 O LEU A 6 31.435 4.425 -7.543 1.00 15.33 O ATOM 48 CB LEU A 6 32.345 6.258 -9.563 1.00 14.73 C ATOM 49 CG LEU A 6 32.299 7.212 -10.787 1.00 16.78 C ATOM 50 CD1 LEU A 6 33.160 6.693 -11.917 1.00 17.42 C ATOM 51 CD2 LEU A 6 30.881 7.341 -11.280 1.00 16.88 C ATOM 52 N GLU A 7 32.397 5.971 -6.128 1.00 12.79 N ATOM 53 CA GLU A 7 32.663 4.924 -5.112 1.00 15.64 C ATOM 54 C GLU A 7 31.435 4.576 -4.301 1.00 12.90 C ATOM 55 O GLU A 7 30.565 5.427 -4.120 1.00 12.97 O ATOM 56 CB AGLU A 7 33.865 5.265 -4.204 0.70 17.43 C ATOM 57 CG AGLU A 7 34.117 6.694 -3.781 0.70 19.72 C ATOM 58 CD AGLU A 7 34.935 7.120 -2.561 0.70 20.46 C ATOM 59 OE1AGLU A 7 36.104 6.753 -2.502 0.70 22.37 O ATOM 60 OE2AGLU A 7 34.267 7.823 -1.815 0.70 18.99 O ATOM 61 N PRO A 8 31.351 3.333 -3.911 1.00 13.23 N ATOM 62 CA PRO A 8 30.224 2.852 -3.086 1.00 13.50 C ATOM 63 C PRO A 8 30.334 3.516 -1.707 1.00 12.26 C ATOM 64 O PRO A 8 31.391 3.997 -1.293 1.00 11.77 O ATOM 65 CB PRO A 8 30.283 1.334 -2.995 1.00 15.10 C ATOM 66 CG PRO A 8 31.757 1.097 -3.199 1.00 16.05 C ATOM 67 CD PRO A 8 32.313 2.218 -4.085 1.00 15.37 C ATOM 68 N PRO A 9 29.200 3.631 -1.017 1.00 11.39 N ATOM 69 CA PRO A 9 29.160 4.238 0.321 1.00 11.12 C ATOM 70 C PRO A 9 29.993 3.377 1.274 1.00 10.17 C ATOM 71 O PRO A 9 30.074 2.152 1.156 1.00 12.88 O ATOM 72 CB PRO A 9 27.687 4.418 0.604 1.00 11.43 C ATOM 73 CG PRO A 9 27.075 3.186 -0.051 1.00 12.21 C ATOM 74 CD PRO A 9 27.842 3.087 -1.403 1.00 11.84 C ATOM 75 N TYR A 10 30.651 4.022 2.200 1.00 9.53 N ATOM 76 CA TYR A 10 31.512 3.320 3.156 1.00 10.73 C ATOM 77 C TYR A 10 31.044 3.577 4.617 1.00 9.35 C ATOM 78 O TYR A 10 31.146 4.687 5.117 1.00 9.61 O ATOM 79 CB TYR A 10 32.937 3.888 2.901 1.00 12.55 C ATOM 80 CG TYR A 10 33.970 3.270 3.808 1.00 14.36 C ATOM 81 CD1 TYR A 10 34.254 1.932 3.622 1.00 16.08 C ATOM 82 CD2 TYR A 10 34.619 4.002 4.797 1.00 14.93 C ATOM 83 CE1 TYR A 10 35.226 1.305 4.406 1.00 16.73 C ATOM 84 CE2 TYR A 10 35.621 3.422 5.573 1.00 15.90 C ATOM 85 CZ TYR A 10 35.896 2.071 5.383 1.00 17.33 C ATOM 86 OH TYR A 10 36.861 1.438 6.195 1.00 19.17 O ATOM 87 N THR A 11 30.520 2.576 5.235 1.00 10.38 N ATOM 88 CA THR A 11 30.045 2.720 6.641 1.00 12.46 C ATOM 89 C THR A 11 31.223 2.838 7.584 1.00 11.29 C ATOM 90 O THR A 11 31.192 3.641 8.497 1.00 11.82 O ATOM 91 CB THR A 11 29.228 1.496 7.037 1.00 13.67 C ATOM 92 OG1 THR A 11 28.069 1.656 6.232 1.00 15.23 O ATOM 93 CG2 THR A 11 28.852 1.446 8.517 1.00 14.27 C ATOM 94 N GLY A 12 32.251 2.091 7.350 1.00 12.43 N ATOM 95 CA GLY A 12 33.523 2.128 8.130 1.00 13.15 C ATOM 96 C GLY A 12 33.399 1.159 9.309 1.00 12.80 C ATOM 97 O GLY A 12 32.437 0.461 9.511 1.00 12.30 O ATOM 98 N PRO A 13 34.502 1.082 10.072 1.00 14.49 N ATOM 99 CA PRO A 13 34.519 0.168 11.227 1.00 13.95 C ATOM 100 C PRO A 13 33.916 0.539 12.596 1.00 13.29 C ATOM 101 O PRO A 13 33.930 -0.237 13.544 1.00 14.10 O ATOM 102 CB PRO A 13 36.012 -0.082 11.370 1.00 13.23 C ATOM 103 CG PRO A 13 36.631 1.239 10.992 1.00 14.60 C ATOM 104 CD PRO A 13 35.765 1.879 9.928 1.00 13.98 C ATOM 105 N CYS A 14 33.434 1.727 12.750 1.00 12.13 N ATOM 106 CA CYS A 14 32.817 2.337 13.956 1.00 13.10 C ATOM 107 C CYS A 14 31.326 1.931 13.983 1.00 14.28 C ATOM 108 O CYS A 14 30.770 1.555 12.956 1.00 14.31 O ATOM 109 CB CYS A 14 33.176 3.792 14.087 1.00 11.97 C ATOM 110 SG CYS A 14 34.877 4.044 14.560 1.00 12.63 S ATOM 111 N LYS A 15 30.797 1.938 15.212 1.00 15.59 N ATOM 112 CA LYS A 15 29.455 1.371 15.454 1.00 16.40 C ATOM 113 C LYS A 15 28.360 2.334 15.735 1.00 14.53 C ATOM 114 O LYS A 15 27.329 1.956 16.299 1.00 16.12 O ATOM 115 CB LYS A 15 29.669 0.354 16.551 1.00 20.41 C ATOM 116 CG LYS A 15 30.972 -0.476 16.541 1.00 23.07 C ATOM 117 CD LYS A 15 30.959 -1.503 15.478 1.00 26.62 C ATOM 118 CE LYS A 15 32.296 -2.170 15.136 1.00 30.12 C ATOM 119 NZ LYS A 15 31.836 -3.309 14.215 1.00 33.66 N ATOM 120 N ALA A 16 28.538 3.555 15.339 1.00 12.01 N ATOM 121 CA ALA A 16 27.519 4.598 15.454 1.00 12.90 C ATOM 122 C ALA A 16 26.498 4.287 14.310 1.00 12.51 C ATOM 123 O ALA A 16 26.836 3.476 13.402 1.00 13.19 O ATOM 124 CB ALA A 16 27.988 6.045 15.277 1.00 11.07 C ATOM 125 N ARG A 17 25.365 4.924 14.324 1.00 12.27 N ATOM 126 CA ARG A 17 24.373 4.865 13.248 1.00 13.57 C ATOM 127 C ARG A 17 24.031 6.307 12.896 1.00 11.67 C ATOM 128 O ARG A 17 23.100 6.914 13.431 1.00 13.64 O ATOM 129 CB ARG A 17 23.121 4.138 13.566 1.00 15.95 C ATOM 130 CG ARG A 17 23.529 2.682 13.790 1.00 21.32 C ATOM 131 CD ARG A 17 22.243 2.045 14.156 1.00 25.64 C ATOM 132 NE ARG A 17 21.702 1.586 12.894 1.00 32.90 N ATOM 133 CZ ARG A 17 20.864 1.665 11.854 1.00 35.77 C ATOM 134 NH1 ARG A 17 19.924 2.628 11.721 1.00 36.79 N ATOM 135 NH2 ARG A 17 20.970 0.717 10.868 1.00 36.81 N ATOM 136 N ILE A 18 24.783 6.955 12.017 1.00 10.78 N ATOM 137 CA ILE A 18 24.709 8.341 11.537 1.00 10.61 C ATOM 138 C ILE A 18 24.204 8.278 10.079 1.00 10.94 C ATOM 139 O ILE A 18 24.876 7.679 9.249 1.00 10.62 O ATOM 140 CB ILE A 18 26.042 9.082 11.623 1.00 11.97 C ATOM 141 CG1 ILE A 18 26.652 9.020 13.051 1.00 13.12 C ATOM 142 CG2 ILE A 18 25.974 10.525 11.176 1.00 10.95 C ATOM 143 CD1 ILE A 18 28.148 9.276 13.084 1.00 13.42 C ATOM 144 N ILE A 19 23.050 8.866 9.854 1.00 10.63 N ATOM 145 CA ILE A 19 22.472 8.852 8.467 1.00 11.65 C ATOM 146 C ILE A 19 23.093 9.970 7.681 1.00 10.38 C ATOM 147 O ILE A 19 23.078 11.156 8.055 1.00 12.22 O ATOM 148 CB ILE A 19 20.954 9.049 8.496 1.00 13.30 C ATOM 149 CG1 ILE A 19 20.478 7.843 9.308 1.00 15.24 C ATOM 150 CG2 ILE A 19 20.383 9.074 7.118 1.00 13.64 C ATOM 151 CD1 ILE A 19 21.047 6.435 9.116 1.00 16.83 C ATOM 152 N ARG A 20 23.726 9.516 6.564 1.00 10.55 N ATOM 153 CA ARG A 20 24.442 10.455 5.670 1.00 10.78 C ATOM 154 C ARG A 20 23.927 10.184 4.206 1.00 9.27 C ATOM 155 O ARG A 20 23.300 9.191 3.965 1.00 10.69 O ATOM 156 CB ARG A 20 25.962 10.178 5.691 1.00 9.44 C ATOM 157 CG ARG A 20 26.624 10.625 7.025 1.00 10.78 C ATOM 158 CD ARG A 20 26.683 12.084 7.147 1.00 12.14 C ATOM 159 NE ARG A 20 27.301 12.496 8.436 1.00 13.47 N ATOM 160 CZ ARG A 20 28.569 12.515 8.793 1.00 14.63 C ATOM 161 NH1 ARG A 20 29.528 12.120 7.954 1.00 14.38 N ATOM 162 NH2 ARG A 20 28.880 12.930 10.036 1.00 15.39 N ATOM 163 N TYR A 21 24.290 11.111 3.341 1.00 9.20 N ATOM 164 CA TYR A 21 23.980 10.950 1.898 1.00 8.22 C ATOM 165 C TYR A 21 25.230 10.503 1.171 1.00 8.71 C ATOM 166 O TYR A 21 26.337 10.911 1.504 1.00 8.47 O ATOM 167 CB TYR A 21 23.571 12.308 1.316 1.00 9.14 C ATOM 168 CG TYR A 21 22.096 12.567 1.577 1.00 10.30 C ATOM 169 CD1 TYR A 21 21.657 13.359 2.656 1.00 10.02 C ATOM 170 CD2 TYR A 21 21.170 12.008 0.718 1.00 10.29 C ATOM 171 CE1 TYR A 21 20.312 13.586 2.819 1.00 11.24 C ATOM 172 CE2 TYR A 21 19.795 12.189 0.909 1.00 11.46 C ATOM 173 CZ TYR A 21 19.370 13.026 1.971 1.00 12.26 C ATOM 174 OH TYR A 21 17.995 13.168 2.092 1.00 13.81 O ATOM 175 N PHE A 22 24.953 9.731 0.125 1.00 7.43 N ATOM 176 CA PHE A 22 25.997 9.344 -0.804 1.00 6.76 C ATOM 177 C PHE A 22 25.379 9.511 -2.224 1.00 7.20 C ATOM 178 O PHE A 22 24.147 9.372 -2.366 1.00 7.41 O ATOM 179 CB PHE A 22 26.543 7.944 -0.689 1.00 6.59 C ATOM 180 CG PHE A 22 25.670 6.853 -1.112 1.00 7.76 C ATOM 181 CD1 PHE A 22 25.945 6.167 -2.285 1.00 8.47 C ATOM 182 CD2 PHE A 22 24.511 6.513 -0.412 1.00 8.78 C ATOM 183 CE1 PHE A 22 25.147 5.127 -2.683 1.00 9.15 C ATOM 184 CE2 PHE A 22 23.691 5.457 -0.800 1.00 9.59 C ATOM 185 CZ PHE A 22 24.024 4.780 -1.963 1.00 9.79 C ATOM 186 N TYR A 23 26.248 9.721 -3.224 1.00 8.20 N ATOM 187 CA TYR A 23 25.779 9.725 -4.634 1.00 7.28 C ATOM 188 C TYR A 23 25.786 8.322 -5.124 1.00 7.57 C ATOM 189 O TYR A 23 26.818 7.621 -5.132 1.00 8.16 O ATOM 190 CB TYR A 23 26.759 10.511 -5.499 1.00 9.85 C ATOM 191 CG TYR A 23 26.248 10.666 -6.944 1.00 9.96 C ATOM 192 CD1 TYR A 23 26.914 10.044 -7.987 1.00 10.97 C ATOM 193 CD2 TYR A 23 25.125 11.475 -7.226 1.00 11.33 C ATOM 194 CE1 TYR A 23 26.451 10.178 -9.295 1.00 11.27 C ATOM 195 CE2 TYR A 23 24.587 11.603 -8.518 1.00 11.73 C ATOM 196 CZ TYR A 23 25.294 10.925 -9.501 1.00 11.91 C ATOM 197 OH TYR A 23 24.839 11.085 -10.793 1.00 14.10 O ATOM 198 N ASN A 24 24.618 7.831 -5.550 1.00 7.53 N ATOM 199 CA ASN A 24 24.473 6.511 -6.126 1.00 8.25 C ATOM 200 C ASN A 24 24.533 6.730 -7.657 1.00 9.26 C ATOM 201 O ASN A 24 23.605 7.147 -8.338 1.00 9.06 O ATOM 202 CB ASN A 24 23.099 5.973 -5.764 1.00 9.60 C ATOM 203 CG ASN A 24 22.895 4.611 -6.330 1.00 10.11 C ATOM 204 OD1 ASN A 24 23.537 4.204 -7.313 1.00 13.10 O ATOM 205 ND2 ASN A 24 21.966 3.903 -5.800 1.00 12.51 N ATOM 206 N ALA A 25 25.690 6.499 -8.244 1.00 10.90 N ATOM 207 CA ALA A 25 25.937 6.771 -9.710 1.00 12.18 C ATOM 208 C ALA A 25 25.108 5.883 -10.665 1.00 11.03 C ATOM 209 O ALA A 25 24.972 6.315 -11.816 1.00 12.22 O ATOM 210 CB ALA A 25 27.438 6.846 -9.903 1.00 11.38 C ATOM 211 N LYS A 26 24.672 4.739 -10.226 1.00 10.74 N ATOM 212 CA LYS A 26 23.844 3.843 -10.944 1.00 13.89 C ATOM 213 C LYS A 26 22.458 4.414 -11.053 1.00 13.64 C ATOM 214 O LYS A 26 21.776 4.419 -12.113 1.00 15.07 O ATOM 215 CB LYS A 26 23.873 2.469 -10.338 1.00 18.92 C ATOM 216 CG LYS A 26 22.897 1.688 -11.164 1.00 23.44 C ATOM 217 CD LYS A 26 23.134 0.220 -10.987 1.00 28.41 C ATOM 218 CE LYS A 26 21.883 -0.282 -11.734 1.00 33.13 C ATOM 219 NZ LYS A 26 21.699 -1.653 -11.140 1.00 36.26 N ATOM 220 N ALA A 27 21.931 5.074 -10.038 1.00 13.18 N ATOM 221 CA ALA A 27 20.576 5.701 -10.043 1.00 11.76 C ATOM 222 C ALA A 27 20.606 7.178 -10.432 1.00 10.74 C ATOM 223 O ALA A 27 19.595 7.768 -10.820 1.00 11.30 O ATOM 224 CB ALA A 27 20.054 5.625 -8.612 1.00 12.78 C ATOM 225 N GLY A 28 21.752 7.848 -10.373 1.00 9.60 N ATOM 226 CA GLY A 28 21.970 9.249 -10.618 1.00 10.58 C ATOM 227 C GLY A 28 21.292 10.175 -9.591 1.00 11.69 C ATOM 228 O GLY A 28 20.947 11.316 -9.904 1.00 12.66 O ATOM 229 N LEU A 29 21.201 9.723 -8.370 1.00 11.42 N ATOM 230 CA LEU A 29 20.589 10.458 -7.271 1.00 13.44 C ATOM 231 C LEU A 29 21.437 10.194 -6.009 1.00 10.49 C ATOM 232 O LEU A 29 22.077 9.168 -5.914 1.00 11.18 O ATOM 233 CB LEU A 29 19.233 9.682 -6.932 1.00 15.84 C ATOM 234 CG LEU A 29 18.126 9.639 -7.924 1.00 17.24 C ATOM 235 CD1 LEU A 29 16.897 8.857 -7.584 1.00 18.29 C ATOM 236 CD2 LEU A 29 17.548 11.015 -8.232 1.00 18.39 C ATOM 237 N CYS A 30 21.289 11.133 -5.121 1.00 10.45 N ATOM 238 CA CYS A 30 21.875 11.033 -3.734 1.00 10.30 C ATOM 239 C CYS A 30 20.869 10.289 -2.850 1.00 10.76 C ATOM 240 O CYS A 30 19.639 10.651 -2.961 1.00 12.39 O ATOM 241 CB CYS A 30 22.103 12.439 -3.217 1.00 10.60 C ATOM 242 SG CYS A 30 23.486 13.149 -4.087 1.00 11.79 S ATOM 243 N GLN A 31 21.336 9.324 -2.086 1.00 8.79 N ATOM 244 CA GLN A 31 20.508 8.474 -1.259 1.00 10.62 C ATOM 245 C GLN A 31 21.184 8.402 0.118 1.00 10.68 C ATOM 246 O GLN A 31 22.328 8.784 0.291 1.00 10.44 O ATOM 247 CB GLN A 31 20.354 7.087 -1.858 1.00 11.67 C ATOM 248 CG GLN A 31 19.623 7.119 -3.183 1.00 13.65 C ATOM 249 CD GLN A 31 19.594 5.767 -3.853 1.00 14.34 C ATOM 250 OE1 GLN A 31 20.395 4.867 -3.653 1.00 15.59 O ATOM 251 NE2 GLN A 31 18.531 5.618 -4.678 1.00 18.68 N ATOM 252 N THR A 32 20.404 7.934 1.103 1.00 11.66 N ATOM 253 CA THR A 32 20.941 7.836 2.490 1.00 11.14 C ATOM 254 C THR A 32 21.590 6.489 2.656 1.00 10.29 C ATOM 255 O THR A 32 21.401 5.428 2.076 1.00 11.74 O ATOM 256 CB THR A 32 19.849 8.116 3.568 1.00 11.90 C ATOM 257 OG1 THR A 32 18.807 7.216 3.348 1.00 14.39 O ATOM 258 CG2 THR A 32 19.240 9.473 3.369 1.00 13.60 C ATOM 259 N PHE A 33 22.506 6.456 3.619 1.00 9.22 N ATOM 260 CA PHE A 33 23.207 5.275 4.060 1.00 9.74 C ATOM 261 C PHE A 33 23.550 5.541 5.559 1.00 9.40 C ATOM 262 O PHE A 33 23.556 6.640 6.034 1.00 10.22 O ATOM 263 CB PHE A 33 24.434 4.964 3.270 1.00 9.26 C ATOM 264 CG PHE A 33 25.710 5.682 3.555 1.00 9.20 C ATOM 265 CD1 PHE A 33 26.781 5.095 4.224 1.00 10.68 C ATOM 266 CD2 PHE A 33 25.843 6.975 3.069 1.00 10.04 C ATOM 267 CE1 PHE A 33 27.946 5.766 4.445 1.00 8.91 C ATOM 268 CE2 PHE A 33 27.014 7.710 3.271 1.00 10.37 C ATOM 269 CZ PHE A 33 28.008 7.053 3.984 1.00 9.71 C ATOM 270 N VAL A 34 23.923 4.477 6.205 1.00 11.69 N ATOM 271 CA VAL A 34 24.349 4.496 7.646 1.00 11.33 C ATOM 272 C VAL A 34 25.894 4.524 7.711 1.00 10.54 C ATOM 273 O VAL A 34 26.638 3.625 7.263 1.00 11.75 O ATOM 274 CB VAL A 34 23.771 3.242 8.364 1.00 13.85 C ATOM 275 CG1 VAL A 34 24.190 3.382 9.822 1.00 15.43 C ATOM 276 CG2 VAL A 34 22.264 3.291 8.258 1.00 14.03 C ATOM 277 N TYR A 35 26.387 5.631 8.231 1.00 8.67 N ATOM 278 CA TYR A 35 27.814 5.860 8.458 1.00 8.52 C ATOM 279 C TYR A 35 28.085 5.455 9.938 1.00 9.39 C ATOM 280 O TYR A 35 27.356 5.880 10.841 1.00 10.05 O ATOM 281 CB TYR A 35 28.111 7.355 8.111 1.00 9.40 C ATOM 282 CG TYR A 35 29.487 7.835 8.503 1.00 9.39 C ATOM 283 CD1 TYR A 35 30.614 7.095 8.174 1.00 9.35 C ATOM 284 CD2 TYR A 35 29.613 8.943 9.313 1.00 9.32 C ATOM 285 CE1 TYR A 35 31.862 7.506 8.619 1.00 9.35 C ATOM 286 CE2 TYR A 35 30.895 9.387 9.715 1.00 9.94 C ATOM 287 CZ TYR A 35 31.977 8.641 9.373 1.00 10.13 C ATOM 288 OH TYR A 35 33.198 9.064 9.803 1.00 11.76 O ATOM 289 N GLY A 36 29.181 4.741 10.152 1.00 9.59 N ATOM 290 CA GLY A 36 29.544 4.252 11.487 1.00 9.91 C ATOM 291 C GLY A 36 30.219 5.242 12.389 1.00 9.25 C ATOM 292 O GLY A 36 30.414 4.897 13.554 1.00 9.95 O ATOM 293 N GLY A 37 30.587 6.373 11.911 1.00 8.45 N ATOM 294 CA GLY A 37 31.172 7.377 12.736 1.00 10.39 C ATOM 295 C GLY A 37 32.637 7.664 12.699 1.00 10.61 C ATOM 296 O GLY A 37 33.098 8.624 13.380 1.00 13.37 O ATOM 297 N CYS A 38 33.387 6.871 11.999 1.00 10.95 N ATOM 298 CA CYS A 38 34.813 7.212 11.868 1.00 11.65 C ATOM 299 C CYS A 38 35.267 6.763 10.481 1.00 12.05 C ATOM 300 O CYS A 38 34.729 5.808 9.860 1.00 11.60 O ATOM 301 CB CYS A 38 35.702 6.466 12.895 1.00 12.40 C ATOM 302 SG CYS A 38 35.719 4.684 12.827 1.00 12.21 S ATOM 303 N ARG A 39 36.341 7.375 10.042 1.00 12.46 N ATOM 304 CA ARG A 39 37.025 7.056 8.805 1.00 14.63 C ATOM 305 C ARG A 39 36.187 7.227 7.520 1.00 12.13 C ATOM 306 O ARG A 39 36.332 6.391 6.640 1.00 13.93 O ATOM 307 CB ARG A 39 37.538 5.625 8.866 1.00 18.16 C ATOM 308 CG ARG A 39 38.516 5.562 10.066 1.00 22.63 C ATOM 309 CD ARG A 39 39.107 4.166 10.098 1.00 26.10 C ATOM 310 NE ARG A 39 39.805 4.035 11.371 1.00 30.83 N ATOM 311 CZ ARG A 39 40.590 3.032 11.775 1.00 32.34 C ATOM 312 NH1 ARG A 39 40.823 1.964 11.024 1.00 33.18 N ATOM 313 NH2 ARG A 39 41.144 3.105 12.987 1.00 33.57 N ATOM 314 N ALA A 40 35.456 8.280 7.530 1.00 11.13 N ATOM 315 CA ALA A 40 34.631 8.632 6.385 1.00 12.22 C ATOM 316 C ALA A 40 35.497 8.734 5.135 1.00 13.37 C ATOM 317 O ALA A 40 36.687 9.115 5.137 1.00 14.12 O ATOM 318 CB ALA A 40 33.941 9.981 6.542 1.00 11.96 C ATOM 319 N LYS A 41 34.889 8.428 4.019 1.00 12.73 N ATOM 320 CA LYS A 41 35.456 8.549 2.638 1.00 12.34 C ATOM 321 C LYS A 41 34.782 9.775 2.026 1.00 11.42 C ATOM 322 O LYS A 41 33.938 10.501 2.638 1.00 12.35 O ATOM 323 CB LYS A 41 35.426 7.283 1.843 1.00 15.66 C ATOM 324 CG LYS A 41 36.330 6.177 2.314 1.00 17.23 C ATOM 325 CD LYS A 41 36.220 4.925 1.492 1.00 21.83 C ATOM 326 CE LYS A 41 36.972 3.830 2.249 1.00 24.86 C ATOM 327 NZ LYS A 41 38.430 4.086 2.238 1.00 26.80 N ATOM 328 N ARG A 42 35.115 10.128 0.777 1.00 9.56 N ATOM 329 CA ARG A 42 34.659 11.372 0.167 1.00 9.93 C ATOM 330 C ARG A 42 33.178 11.332 -0.259 1.00 7.40 C ATOM 331 O ARG A 42 32.599 12.401 -0.162 1.00 9.71 O ATOM 332 CB ARG A 42 35.554 11.797 -0.960 1.00 10.35 C ATOM 333 CG ARG A 42 36.918 12.265 -0.568 1.00 13.91 C ATOM 334 CD ARG A 42 37.957 12.565 -1.588 1.00 15.78 C ATOM 335 NE ARG A 42 38.393 11.235 -1.972 1.00 21.96 N ATOM 336 CZ ARG A 42 39.092 10.993 -3.114 1.00 24.68 C ATOM 337 NH1 ARG A 42 39.486 11.979 -3.942 1.00 25.19 N ATOM 338 NH2 ARG A 42 39.446 9.734 -3.428 1.00 26.22 N ATOM 339 N ASN A 43 32.662 10.208 -0.618 1.00 7.80 N ATOM 340 CA ASN A 43 31.235 10.157 -1.075 1.00 7.75 C ATOM 341 C ASN A 43 30.363 9.898 0.175 1.00 7.34 C ATOM 342 O ASN A 43 29.830 8.807 0.431 1.00 7.64 O ATOM 343 CB ASN A 43 31.158 9.006 -2.072 1.00 8.94 C ATOM 344 CG ASN A 43 29.799 9.033 -2.770 1.00 8.97 C ATOM 345 OD1 ASN A 43 29.002 9.968 -2.653 1.00 9.17 O ATOM 346 ND2 ASN A 43 29.533 8.007 -3.503 1.00 10.14 N ATOM 347 N ASN A 44 30.329 10.926 0.929 1.00 7.27 N ATOM 348 CA ASN A 44 29.680 10.998 2.281 1.00 8.28 C ATOM 349 C ASN A 44 29.441 12.481 2.513 1.00 7.79 C ATOM 350 O ASN A 44 30.374 13.253 2.640 1.00 9.89 O ATOM 351 CB ASN A 44 30.579 10.298 3.287 1.00 9.05 C ATOM 352 CG ASN A 44 30.097 10.342 4.770 1.00 10.15 C ATOM 353 OD1 ASN A 44 29.353 11.223 5.157 1.00 11.10 O ATOM 354 ND2 ASN A 44 30.593 9.396 5.525 1.00 10.18 N ATOM 355 N PHE A 45 28.153 12.815 2.580 1.00 7.78 N ATOM 356 CA PHE A 45 27.732 14.188 2.696 1.00 9.51 C ATOM 357 C PHE A 45 26.649 14.315 3.805 1.00 10.10 C ATOM 358 O PHE A 45 25.856 13.419 4.021 1.00 9.63 O ATOM 359 CB PHE A 45 27.054 14.595 1.345 1.00 11.02 C ATOM 360 CG PHE A 45 27.916 14.462 0.140 1.00 10.38 C ATOM 361 CD1 PHE A 45 27.953 13.294 -0.602 1.00 11.42 C ATOM 362 CD2 PHE A 45 28.752 15.525 -0.138 1.00 11.42 C ATOM 363 CE1 PHE A 45 28.783 13.173 -1.704 1.00 10.82 C ATOM 364 CE2 PHE A 45 29.615 15.424 -1.250 1.00 11.73 C ATOM 365 CZ PHE A 45 29.599 14.241 -1.990 1.00 11.68 C ATOM 366 N LYS A 46 26.654 15.523 4.326 1.00 13.15 N ATOM 367 CA LYS A 46 25.670 15.810 5.399 1.00 15.31 C ATOM 368 C LYS A 46 24.360 16.291 4.876 1.00 14.98 C ATOM 369 O LYS A 46 23.386 16.226 5.649 1.00 16.56 O ATOM 370 CB LYS A 46 26.188 16.720 6.512 1.00 17.44 C ATOM 371 CG LYS A 46 27.318 16.084 7.335 1.00 19.58 C ATOM 372 CD LYS A 46 27.843 17.081 8.391 1.00 22.85 C ATOM 373 CE LYS A 46 29.236 16.576 8.669 1.00 24.99 C ATOM 374 NZ LYS A 46 29.962 17.327 9.705 1.00 27.16 N ATOM 375 N SER A 47 24.337 16.734 3.622 1.00 15.47 N ATOM 376 CA SER A 47 23.068 17.191 3.061 1.00 15.09 C ATOM 377 C SER A 47 22.980 16.742 1.594 1.00 14.56 C ATOM 378 O SER A 47 24.015 16.567 0.916 1.00 13.03 O ATOM 379 CB SER A 47 22.880 18.711 3.060 1.00 15.63 C ATOM 380 OG SER A 47 23.822 19.258 2.193 1.00 16.91 O ATOM 381 N ALA A 48 21.747 16.565 1.233 1.00 14.50 N ATOM 382 CA ALA A 48 21.452 16.202 -0.192 1.00 15.49 C ATOM 383 C ALA A 48 21.889 17.264 -1.204 1.00 14.13 C ATOM 384 O ALA A 48 22.320 16.959 -2.338 1.00 13.28 O ATOM 385 CB ALA A 48 19.991 15.849 -0.356 1.00 16.34 C ATOM 386 N GLU A 49 21.835 18.530 -0.819 1.00 14.30 N ATOM 387 CA GLU A 49 22.235 19.620 -1.652 1.00 16.73 C ATOM 388 C GLU A 49 23.740 19.554 -1.891 1.00 14.46 C ATOM 389 O GLU A 49 24.137 19.730 -3.053 1.00 14.56 O ATOM 390 CB GLU A 49 21.766 20.869 -0.865 1.00 21.56 C ATOM 391 CG GLU A 49 20.367 20.737 -0.179 1.00 26.75 C ATOM 392 CD GLU A 49 19.919 19.894 0.994 1.00 29.54 C ATOM 393 OE1 GLU A 49 19.414 18.784 1.212 1.00 32.40 O ATOM 394 OE2 GLU A 49 19.912 20.253 2.202 1.00 34.26 O ATOM 395 N ASP A 50 24.537 19.331 -0.858 1.00 14.10 N ATOM 396 CA ASP A 50 25.961 19.288 -1.082 1.00 13.93 C ATOM 397 C ASP A 50 26.280 18.071 -1.961 1.00 11.78 C ATOM 398 O ASP A 50 27.149 18.165 -2.795 1.00 12.10 O ATOM 399 CB ASP A 50 26.695 18.778 0.111 1.00 18.61 C ATOM 400 CG ASP A 50 27.499 19.674 0.972 1.00 25.48 C ATOM 401 OD1 ASP A 50 26.759 20.572 1.375 1.00 29.01 O ATOM 402 OD2 ASP A 50 28.655 19.195 1.020 1.00 27.88 O ATOM 403 N CYS A 51 25.605 16.956 -1.732 1.00 10.22 N ATOM 404 CA CYS A 51 25.822 15.753 -2.493 1.00 10.57 C ATOM 405 C CYS A 51 25.591 15.998 -3.994 1.00 11.23 C ATOM 406 O CYS A 51 26.397 15.689 -4.871 1.00 11.33 O ATOM 407 CB CYS A 51 24.941 14.644 -1.926 1.00 9.71 C ATOM 408 SG CYS A 51 25.055 13.060 -2.815 1.00 10.82 S ATOM 409 N MET A 52 24.405 16.565 -4.212 1.00 12.19 N ATOM 410 CA MET A 52 23.975 16.860 -5.592 1.00 15.04 C ATOM 411 C MET A 52 24.865 17.909 -6.259 1.00 15.23 C ATOM 412 O MET A 52 25.254 17.714 -7.432 1.00 16.42 O ATOM 413 CB MET A 52 22.481 17.237 -5.692 1.00 16.60 C ATOM 414 CG AMET A 52 21.619 16.002 -5.527 0.65 16.58 C ATOM 415 SD AMET A 52 21.684 14.673 -6.752 0.65 17.21 S ATOM 416 CE AMET A 52 20.896 15.481 -8.152 0.65 17.25 C ATOM 417 N ARG A 53 25.206 18.931 -5.556 1.00 17.25 N ATOM 418 CA ARG A 53 26.111 19.970 -6.044 1.00 19.58 C ATOM 419 C ARG A 53 27.493 19.419 -6.400 1.00 19.14 C ATOM 420 O ARG A 53 28.105 19.894 -7.379 1.00 18.79 O ATOM 421 CB ARG A 53 26.365 20.989 -4.925 1.00 21.70 C ATOM 422 CG ARG A 53 27.106 22.225 -5.375 1.00 24.59 C ATOM 423 CD ARG A 53 26.494 23.431 -4.716 1.00 26.49 C ATOM 424 NE ARG A 53 26.503 23.143 -3.308 1.00 30.03 N ATOM 425 CZ ARG A 53 25.536 23.635 -2.543 1.00 30.47 C ATOM 426 NH1 ARG A 53 24.554 24.368 -3.034 1.00 31.82 N ATOM 427 NH2 ARG A 53 25.533 23.348 -1.271 1.00 30.70 N ATOM 428 N THR A 54 28.014 18.446 -5.647 1.00 16.27 N ATOM 429 CA THR A 54 29.317 17.889 -5.933 1.00 15.50 C ATOM 430 C THR A 54 29.360 16.811 -7.019 1.00 14.44 C ATOM 431 O THR A 54 30.323 16.753 -7.836 1.00 14.74 O ATOM 432 CB THR A 54 29.884 17.308 -4.599 1.00 16.69 C ATOM 433 OG1 THR A 54 29.915 18.356 -3.628 1.00 17.09 O ATOM 434 CG2 THR A 54 31.252 16.617 -4.794 1.00 16.12 C ATOM 435 N CYS A 55 28.364 15.919 -6.980 1.00 12.64 N ATOM 436 CA CYS A 55 28.337 14.779 -7.839 1.00 14.57 C ATOM 437 C CYS A 55 27.258 14.663 -8.899 1.00 16.68 C ATOM 438 O CYS A 55 27.484 13.831 -9.733 1.00 17.00 O ATOM 439 CB CYS A 55 28.265 13.520 -6.968 1.00 13.88 C ATOM 440 SG CYS A 55 29.664 13.161 -5.893 1.00 13.03 S ATOM 441 N GLY A 56 26.248 15.435 -8.766 1.00 22.23 N ATOM 442 CA GLY A 56 25.221 15.180 -9.791 1.00 26.06 C ATOM 443 C GLY A 56 25.286 15.905 -11.139 1.00 29.57 C ATOM 444 O GLY A 56 26.220 16.540 -11.584 1.00 31.26 O ATOM 445 N GLY A 57 24.141 15.735 -11.766 1.00 36.75 N ATOM 446 CA GLY A 57 23.532 16.179 -13.038 1.00 40.04 C ATOM 447 C GLY A 57 21.982 15.948 -12.990 1.00 43.19 C ATOM 448 O GLY A 57 21.139 16.112 -12.036 1.00 44.36 O ATOM 449 N ALA A 58 21.533 15.450 -14.175 1.00 46.32 N ATOM 450 CA ALA A 58 20.058 15.148 -14.143 1.00 46.11 C ATOM 451 C ALA A 58 20.005 13.727 -14.727 1.00 47.14 C ATOM 452 O ALA A 58 20.352 13.531 -15.922 1.00 47.19 O ATOM 453 CB ALA A 58 19.337 16.385 -14.585 1.00 45.68 C ATOM 454 OXT ALA A 58 19.665 12.821 -13.923 1.00 48.98 O HETATM 455 P PO4 A 70 32.672 12.772 10.325 0.65 25.52 P HETATM 456 O1 PO4 A 70 33.530 14.005 10.556 0.65 26.69 O HETATM 457 O2 PO4 A 70 31.499 12.810 11.272 0.65 25.31 O HETATM 458 O3 PO4 A 70 32.136 12.729 8.909 0.65 24.51 O HETATM 459 O4 PO4 A 70 33.561 11.570 10.555 0.65 23.64 O HETATM 460 UNK UNX A 324 23.599 13.195 -7.043 1.00 45.42 X HETATM 461 O DOD A 80 23.194 15.839 8.222 0.40 22.37 O HETATM 462 O DOD A 101 22.510 21.082 -4.729 1.00 36.16 O HETATM 463 O DOD A 102 32.400 2.989 17.428 0.80 18.44 O HETATM 464 O DOD A 105 32.325 18.662 -7.849 1.00 32.19 O HETATM 465 O DOD A 110 37.328 8.721 -0.765 0.85 24.80 O HETATM 466 O DOD A 111 32.894 6.077 -0.473 1.00 17.11 O HETATM 467 O DOD A 112 31.242 6.845 1.776 1.00 12.53 O HETATM 468 O DOD A 113 32.081 7.266 4.248 1.00 10.62 O HETATM 469 O DOD A 116 21.627 2.820 1.964 0.45 18.18 O HETATM 470 O DOD A 117 23.450 1.914 4.826 0.85 21.21 O HETATM 471 O DOD A 119 24.933 8.699 -12.566 1.00 26.51 O HETATM 472 O DOD A 121 27.178 1.079 11.930 1.00 44.15 O HETATM 473 O DOD A 122 32.824 4.006 10.705 1.00 11.08 O HETATM 474 O DOD A 125 23.228 10.145 14.693 1.00 37.43 O HETATM 475 O DOD A 126 21.709 13.163 -11.285 1.00 45.53 O HETATM 476 O DOD A 127 25.304 13.841 10.064 1.00 31.39 O HETATM 477 O DOD A 129 21.978 10.502 12.070 1.00 22.99 O HETATM 478 O DOD A 133 37.476 9.724 11.502 0.75 22.01 O HETATM 479 O DOD A 134 34.490 11.060 -13.079 0.70 44.32 O HETATM 480 O DOD A 138 28.177 17.517 3.360 1.00 25.45 O HETATM 481 O DOD A 140 30.541 15.267 12.774 1.00 36.43 O HETATM 482 O DOD A 143 28.284 5.454 -6.397 1.00 27.22 O HETATM 483 O DOD A 144 17.474 21.217 4.158 1.00 42.30 O HETATM 484 O DOD A 145 38.592 14.977 -3.873 1.00 29.91 O HETATM 485 O DOD A 146 39.369 6.894 -8.744 1.00 41.67 O HETATM 486 O DOD A 156 30.562 -0.831 11.569 0.85 29.85 O HETATM 487 O DOD A 157 35.840 10.917 9.802 1.00 23.72 O HETATM 488 O DOD A 158 32.417 -0.400 5.440 0.50 21.01 O HETATM 489 O DOD A 159 30.427 -0.255 3.808 0.50 26.42 O HETATM 490 O DOD A 160 36.062 5.979 -8.634 1.00 41.31 O HETATM 491 O DOD A 200 19.702 17.251 3.159 1.00 19.29 O HETATM 492 O DOD A 201 38.290 5.419 5.139 0.45 14.23 O HETATM 493 O DOD A 202 20.841 18.058 5.892 1.00 42.73 O HETATM 494 O DOD A 203 35.858 -1.262 7.228 1.00 26.79 O HETATM 495 O DOD A 204 39.380 8.361 4.115 0.70 28.37 O HETATM 496 O DOD A 205 19.638 4.554 4.804 1.00 41.42 O HETATM 497 O DOD A 209 27.016 14.177 11.548 0.55 23.66 O HETATM 498 O DOD A 210 32.524 1.944 -8.668 0.55 28.00 O HETATM 499 O DOD A 211 30.420 20.407 -9.327 1.00 50.37 O HETATM 500 O DOD A 212 38.417 11.372 -7.271 1.00 37.18 O HETATM 501 O DOD A 214 15.928 7.068 -4.160 0.80 33.49 O HETATM 502 O DOD A 216 20.369 6.458 13.462 0.75 29.01 O HETATM 503 O DOD A 217 20.372 9.135 14.450 1.00 45.82 O HETATM 504 O DOD A 218 34.848 -2.506 13.144 0.60 23.45 O HETATM 505 O DOD A 219 18.689 3.099 -6.988 0.65 32.86 O HETATM 506 O DOD A 220 34.306 13.635 6.574 0.70 44.72 O HETATM 507 O DOD A 223 39.704 6.653 -0.920 0.70 27.12 O HETATM 508 O DOD A 225 35.835 1.799 -4.168 0.70 22.62 O HETATM 509 O DOD A 302 23.473 14.023 7.697 0.50 17.94 O HETATM 510 O DOD A 304 17.425 18.515 0.940 0.60 20.11 O HETATM 511 O DOD A 310 30.817 21.189 -4.297 0.75 33.44 O HETATM 512 O DOD A 311 29.101 21.433 -2.694 0.75 39.78 O HETATM 513 O DOD A 312 34.385 2.967 -0.675 0.75 49.17 O HETATM 514 O DOD A 313 22.760 12.894 9.757 0.75 34.76 O HETATM 515 O DOD A 314 29.184 16.951 -10.815 1.00 50.56 O HETATM 516 O DOD A 315 37.208 17.290 -2.722 0.75 35.00 O HETATM 517 O DOD A 316 39.924 5.096 15.153 0.75 91.84 O HETATM 518 O DOD A 317 24.792 1.584 -6.585 1.00 53.91 O HETATM 519 O DOD A 318 29.052 21.202 9.370 0.75 46.66 O HETATM 520 O DOD A 319 31.855 0.163 0.605 0.75 42.28 O HETATM 521 O DOD A 320 17.490 9.671 -3.504 0.75 50.06 O HETATM 522 O DOD A 321 23.571 -0.806 13.870 0.50 28.53 O HETATM 523 O DOD A 322 30.284 21.588 -6.518 0.75 52.32 O If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |