 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** Robetta01 ***elNémo ID: 20122820001159847Job options:ID = 20122820001159847 JOBID = Robetta01 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 Robetta01 REMARK Rerank model01.pdb score: 81.610 SSBOND CYS A 1 CYS A 102 2.05 SSBOND CYS A 4 CYS A 105 2.03 SSBOND CYS A 89 CYS A 112 2.14 SSBOND CYS A 93 CYS A 118 2.05 ATOM 1 N CYS A 1 5.114 -6.096 4.442 1.00 2.660 N ATOM 2 CA CYS A 1 4.442 -7.280 3.904 1.00 2.200 C ATOM 3 C CYS A 1 4.597 -7.334 2.391 1.00 2.230 C ATOM 4 O CYS A 1 3.619 -7.501 1.662 1.00 2.460 O ATOM 5 CB CYS A 1 2.970 -7.267 4.288 1.00 3.260 C ATOM 6 SG CYS A 1 2.700 -7.274 6.084 1.00 3.260 S ATOM 7 1H CYS A 1 4.869 -5.984 5.414 1.00 3.190 H ATOM 8 2H CYS A 1 6.112 -6.219 4.356 1.00 3.190 H ATOM 9 3H CYS A 1 4.827 -5.283 3.917 1.00 3.190 H ATOM 10 HA CYS A 1 4.901 -8.167 4.327 1.00 2.640 H ATOM 11 1HB CYS A 1 2.492 -6.383 3.876 1.00 3.920 H ATOM 12 2HB CYS A 1 2.471 -8.143 3.864 1.00 3.920 H ATOM 13 N VAL A 2 5.860 -7.271 1.934 1.00 2.330 N ATOM 14 CA VAL A 2 6.187 -7.219 0.500 1.00 2.670 C ATOM 15 C VAL A 2 5.755 -8.496 -0.211 1.00 2.680 C ATOM 16 O VAL A 2 5.462 -8.500 -1.406 1.00 2.570 O ATOM 17 CB VAL A 2 7.700 -6.993 0.271 1.00 3.600 C ATOM 18 CG1 VAL A 2 8.129 -5.717 0.935 1.00 3.600 C ATOM 19 CG2 VAL A 2 8.530 -8.159 0.776 1.00 3.600 C ATOM 20 H VAL A 2 6.615 -7.204 2.618 1.00 2.800 H ATOM 21 HA VAL A 2 5.657 -6.383 0.065 1.00 3.200 H ATOM 22 HB VAL A 2 7.859 -6.859 -0.785 1.00 4.320 H ATOM 23 1HG1 VAL A 2 9.176 -5.555 0.728 1.00 4.320 H ATOM 24 2HG1 VAL A 2 7.557 -4.890 0.569 1.00 4.320 H ATOM 25 3HG1 VAL A 2 7.988 -5.787 2.008 1.00 4.320 H ATOM 26 1HG2 VAL A 2 9.578 -7.966 0.590 1.00 4.320 H ATOM 27 2HG2 VAL A 2 8.363 -8.255 1.818 1.00 4.320 H ATOM 28 3HG2 VAL A 2 8.257 -9.081 0.273 1.00 4.320 H ATOM 29 N PHE A 3 5.637 -9.562 0.575 1.00 3.090 N ATOM 30 CA PHE A 3 5.230 -10.887 0.154 1.00 3.300 C ATOM 31 C PHE A 3 4.026 -10.834 -0.778 1.00 2.470 C ATOM 32 O PHE A 3 3.959 -11.568 -1.764 1.00 2.610 O ATOM 33 CB PHE A 3 4.859 -11.738 1.373 1.00 4.540 C ATOM 34 CG PHE A 3 4.447 -13.117 1.003 1.00 4.540 C ATOM 35 CD1 PHE A 3 5.390 -14.098 0.825 1.00 4.540 C ATOM 36 CD2 PHE A 3 3.122 -13.431 0.787 1.00 4.540 C ATOM 37 CE1 PHE A 3 5.027 -15.357 0.451 1.00 4.540 C ATOM 38 CE2 PHE A 3 2.756 -14.690 0.403 1.00 4.540 C ATOM 39 CZ PHE A 3 3.710 -15.659 0.236 1.00 4.540 C ATOM 40 H PHE A 3 5.864 -9.423 1.547 1.00 3.710 H ATOM 41 HA PHE A 3 6.062 -11.356 -0.378 1.00 3.960 H ATOM 42 1HB PHE A 3 5.708 -11.805 2.048 1.00 5.440 H ATOM 43 2HB PHE A 3 4.034 -11.269 1.923 1.00 5.440 H ATOM 44 HD1 PHE A 3 6.444 -13.872 0.979 1.00 5.440 H ATOM 45 HD2 PHE A 3 2.379 -12.670 0.908 1.00 5.440 H ATOM 46 HE1 PHE A 3 5.803 -16.117 0.314 1.00 5.440 H ATOM 47 HE2 PHE A 3 1.714 -14.923 0.221 1.00 5.440 H ATOM 48 HZ PHE A 3 3.425 -16.662 -0.070 1.00 5.440 H ATOM 49 N CYS A 4 3.061 -9.966 -0.472 1.00 2.130 N ATOM 50 CA CYS A 4 1.821 -9.908 -1.231 1.00 2.050 C ATOM 51 C CYS A 4 2.020 -9.675 -2.724 1.00 2.180 C ATOM 52 O CYS A 4 1.200 -10.132 -3.524 1.00 2.330 O ATOM 53 CB CYS A 4 0.937 -8.781 -0.710 1.00 2.900 C ATOM 54 SG CYS A 4 0.288 -9.041 0.927 1.00 2.900 S ATOM 55 H CYS A 4 3.169 -9.329 0.318 1.00 2.560 H ATOM 56 HA CYS A 4 1.303 -10.858 -1.098 1.00 2.460 H ATOM 57 1HB CYS A 4 1.510 -7.848 -0.695 1.00 3.480 H ATOM 58 2HB CYS A 4 0.098 -8.633 -1.387 1.00 3.480 H ATOM 59 N ARG A 5 3.027 -8.883 -3.129 1.00 2.330 N ATOM 60 CA ARG A 5 3.111 -8.560 -4.553 1.00 2.720 C ATOM 61 C ARG A 5 4.502 -8.513 -5.212 1.00 2.890 C ATOM 62 O ARG A 5 4.700 -7.686 -6.102 1.00 3.340 O ATOM 63 CB ARG A 5 2.391 -7.226 -4.838 1.00 3.650 C ATOM 64 CG ARG A 5 0.847 -7.180 -4.603 1.00 3.650 C ATOM 65 CD ARG A 5 0.040 -8.016 -5.557 1.00 3.650 C ATOM 66 NE ARG A 5 -1.412 -7.882 -5.304 1.00 3.650 N ATOM 67 CZ ARG A 5 -2.162 -8.625 -4.424 1.00 3.650 C ATOM 68 NH1 ARG A 5 -1.623 -9.580 -3.668 1.00 3.650 N ATOM 69 NH2 ARG A 5 -3.471 -8.374 -4.330 1.00 3.650 N ATOM 70 H ARG A 5 3.737 -8.555 -2.462 1.00 2.800 H ATOM 71 HA ARG A 5 2.566 -9.335 -5.084 1.00 3.260 H ATOM 72 1HB ARG A 5 2.797 -6.449 -4.212 1.00 4.380 H ATOM 73 2HB ARG A 5 2.557 -6.931 -5.873 1.00 4.380 H ATOM 74 1HG ARG A 5 0.600 -7.454 -3.585 1.00 4.380 H ATOM 75 2HG ARG A 5 0.529 -6.156 -4.766 1.00 4.380 H ATOM 76 1HD ARG A 5 0.236 -7.660 -6.568 1.00 4.380 H ATOM 77 2HD ARG A 5 0.302 -9.059 -5.502 1.00 4.380 H ATOM 78 HE ARG A 5 -1.899 -7.176 -5.838 1.00 4.380 H ATOM 79 1HH1 ARG A 5 -0.609 -9.794 -3.711 1.00 4.380 H ATOM 80 2HH1 ARG A 5 -2.208 -10.106 -3.029 1.00 4.380 H ATOM 81 1HH2 ARG A 5 -3.885 -7.647 -4.894 1.00 4.380 H ATOM 82 2HH2 ARG A 5 -4.080 -8.906 -3.677 1.00 4.380 H ATOM 83 N LEU A 6 5.475 -9.344 -4.799 1.00 3.000 N ATOM 84 CA LEU A 6 6.789 -9.388 -5.496 1.00 3.320 C ATOM 85 C LEU A 6 7.055 -10.563 -6.489 1.00 3.250 C ATOM 86 O LEU A 6 7.972 -11.340 -6.221 1.00 3.270 O ATOM 87 CB LEU A 6 7.984 -9.407 -4.508 1.00 4.520 C ATOM 88 CG LEU A 6 8.218 -8.202 -3.574 1.00 4.520 C ATOM 89 CD1 LEU A 6 9.420 -8.510 -2.658 1.00 4.520 C ATOM 90 CD2 LEU A 6 8.511 -6.936 -4.393 1.00 4.520 C ATOM 91 H LEU A 6 5.289 -9.978 -4.026 1.00 3.600 H ATOM 92 HA LEU A 6 6.868 -8.479 -6.083 1.00 3.980 H ATOM 93 1HB LEU A 6 7.873 -10.284 -3.869 1.00 5.420 H ATOM 94 2HB LEU A 6 8.891 -9.530 -5.086 1.00 5.420 H ATOM 95 HG LEU A 6 7.343 -8.048 -2.961 1.00 5.420 H ATOM 96 1HD1 LEU A 6 9.603 -7.678 -1.994 1.00 5.420 H ATOM 97 2HD1 LEU A 6 9.216 -9.407 -2.071 1.00 5.420 H ATOM 98 3HD1 LEU A 6 10.304 -8.675 -3.268 1.00 5.420 H ATOM 99 1HD2 LEU A 6 8.676 -6.102 -3.716 1.00 5.420 H ATOM 100 2HD2 LEU A 6 9.402 -7.089 -5.003 1.00 5.420 H ATOM 101 3HD2 LEU A 6 7.671 -6.702 -5.036 1.00 5.420 H ATOM 102 N PRO A 7 6.302 -10.777 -7.596 1.00 3.770 N ATOM 103 CA PRO A 7 6.585 -11.799 -8.586 1.00 4.260 C ATOM 104 C PRO A 7 7.739 -11.276 -9.400 1.00 4.090 C ATOM 105 O PRO A 7 7.910 -10.050 -9.482 1.00 4.290 O ATOM 106 CB PRO A 7 5.310 -11.849 -9.421 1.00 6.390 C ATOM 107 CG PRO A 7 4.797 -10.435 -9.353 1.00 6.390 C ATOM 108 CD PRO A 7 5.155 -9.953 -7.949 1.00 6.390 C ATOM 109 HA PRO A 7 6.821 -12.757 -8.098 1.00 5.110 H ATOM 110 1HB PRO A 7 5.549 -12.167 -10.451 1.00 7.670 H ATOM 111 2HB PRO A 7 4.609 -12.587 -9.005 1.00 7.670 H ATOM 112 1HG PRO A 7 5.274 -9.822 -10.137 1.00 7.670 H ATOM 113 2HG PRO A 7 3.716 -10.408 -9.548 1.00 7.670 H ATOM 114 1HD PRO A 7 5.445 -8.898 -8.003 1.00 7.670 H ATOM 115 2HD PRO A 7 4.313 -10.150 -7.290 1.00 7.670 H ATOM 116 N ALA A 8 8.483 -12.124 -10.090 1.00 4.230 N ATOM 117 CA ALA A 8 9.474 -11.499 -10.935 1.00 4.510 C ATOM 118 C ALA A 8 8.777 -10.988 -12.183 1.00 4.720 C ATOM 119 O ALA A 8 8.640 -11.686 -13.195 1.00 4.930 O ATOM 120 CB ALA A 8 10.589 -12.466 -11.287 1.00 6.200 C ATOM 121 H ALA A 8 8.367 -13.127 -10.034 1.00 5.080 H ATOM 122 HA ALA A 8 9.890 -10.649 -10.405 1.00 5.410 H ATOM 123 1HB ALA A 8 11.317 -11.967 -11.917 1.00 7.440 H ATOM 124 2HB ALA A 8 11.074 -12.808 -10.372 1.00 7.440 H ATOM 125 3HB ALA A 8 10.176 -13.319 -11.820 1.00 7.440 H ATOM 126 N HIS A 9 8.401 -9.726 -12.132 1.00 5.000 N ATOM 127 CA HIS A 9 7.638 -9.095 -13.191 1.00 5.500 C ATOM 128 C HIS A 9 8.507 -8.721 -14.373 1.00 5.490 C ATOM 129 O HIS A 9 8.964 -7.583 -14.490 1.00 5.850 O ATOM 130 CB HIS A 9 6.916 -7.856 -12.648 1.00 7.500 C ATOM 131 CG HIS A 9 5.890 -7.249 -13.588 1.00 7.500 C ATOM 132 ND1 HIS A 9 5.230 -6.068 -13.294 1.00 7.500 N ATOM 133 CD2 HIS A 9 5.420 -7.645 -14.802 1.00 7.500 C ATOM 134 CE1 HIS A 9 4.402 -5.771 -14.281 1.00 7.500 C ATOM 135 NE2 HIS A 9 4.498 -6.709 -15.204 1.00 7.500 N ATOM 136 H HIS A 9 8.538 -9.236 -11.248 1.00 6.000 H ATOM 137 HA HIS A 9 6.881 -9.791 -13.549 1.00 6.600 H ATOM 138 1HB HIS A 9 6.412 -8.120 -11.716 1.00 9.000 H ATOM 139 2HB HIS A 9 7.653 -7.089 -12.408 1.00 9.000 H ATOM 140 HD2 HIS A 9 5.710 -8.534 -15.367 1.00 9.000 H ATOM 141 HE1 HIS A 9 3.752 -4.897 -14.325 1.00 9.000 H ATOM 142 HE2 HIS A 9 3.982 -6.740 -16.074 1.00 9.000 H ATOM 143 N ASP A 10 8.756 -9.707 -15.239 1.00 5.340 N ATOM 144 CA ASP A 10 9.603 -9.538 -16.420 1.00 5.270 C ATOM 145 C ASP A 10 10.966 -8.971 -16.044 1.00 5.110 C ATOM 146 O ASP A 10 11.487 -8.050 -16.679 1.00 5.190 O ATOM 147 CB ASP A 10 8.903 -8.632 -17.438 1.00 7.410 C ATOM 148 CG ASP A 10 7.578 -9.233 -17.944 1.00 7.410 C ATOM 149 OD1 ASP A 10 7.524 -10.427 -18.166 1.00 7.410 O ATOM 150 OD2 ASP A 10 6.629 -8.493 -18.087 1.00 7.410 O ATOM 151 H ASP A 10 8.357 -10.626 -15.030 1.00 6.410 H ATOM 152 HA ASP A 10 9.757 -10.517 -16.875 1.00 6.320 H ATOM 153 1HB ASP A 10 8.705 -7.654 -16.997 1.00 8.890 H ATOM 154 2HB ASP A 10 9.561 -8.475 -18.292 1.00 8.890 H ATOM 155 N LEU A 11 11.536 -9.528 -14.989 1.00 5.260 N ATOM 156 CA LEU A 11 12.812 -9.080 -14.475 1.00 5.410 C ATOM 157 C LEU A 11 13.995 -9.901 -14.931 1.00 5.520 C ATOM 158 O LEU A 11 13.884 -11.104 -15.172 1.00 5.680 O ATOM 159 CB LEU A 11 12.792 -9.133 -12.958 1.00 7.510 C ATOM 160 CG LEU A 11 11.731 -8.325 -12.244 1.00 7.510 C ATOM 161 CD1 LEU A 11 11.905 -8.547 -10.768 1.00 7.510 C ATOM 162 CD2 LEU A 11 11.797 -6.848 -12.609 1.00 7.510 C ATOM 163 H LEU A 11 11.054 -10.296 -14.544 1.00 6.310 H ATOM 164 HA LEU A 11 12.980 -8.062 -14.813 1.00 6.490 H ATOM 165 1HB LEU A 11 12.631 -10.164 -12.681 1.00 9.020 H ATOM 166 2HB LEU A 11 13.736 -8.869 -12.601 1.00 9.020 H ATOM 167 HG LEU A 11 10.773 -8.697 -12.525 1.00 9.020 H ATOM 168 1HD1 LEU A 11 11.124 -8.010 -10.228 1.00 9.020 H ATOM 169 2HD1 LEU A 11 11.838 -9.599 -10.552 1.00 9.020 H ATOM 170 3HD1 LEU A 11 12.863 -8.184 -10.456 1.00 9.020 H ATOM 171 1HD2 LEU A 11 11.010 -6.312 -12.077 1.00 9.020 H ATOM 172 2HD2 LEU A 11 12.755 -6.442 -12.335 1.00 9.020 H ATOM 173 3HD2 LEU A 11 11.638 -6.716 -13.680 1.00 9.020 H ATOM 174 N SER A 12 15.146 -9.242 -14.999 1.00 5.660 N ATOM 175 CA SER A 12 16.408 -9.899 -15.276 1.00 6.020 C ATOM 176 C SER A 12 16.805 -10.680 -14.035 1.00 5.520 C ATOM 177 O SER A 12 16.317 -10.398 -12.934 1.00 5.160 O ATOM 178 CB SER A 12 17.460 -8.867 -15.631 1.00 8.280 C ATOM 179 OG SER A 12 17.760 -8.059 -14.521 1.00 8.280 O ATOM 180 H SER A 12 15.156 -8.247 -14.829 1.00 6.790 H ATOM 181 HA SER A 12 16.277 -10.594 -16.109 1.00 7.220 H ATOM 182 1HB SER A 12 18.363 -9.370 -15.973 1.00 9.940 H ATOM 183 2HB SER A 12 17.100 -8.248 -16.451 1.00 9.940 H ATOM 184 HG SER A 12 18.405 -7.406 -14.833 1.00 9.940 H ATOM 185 N GLY A 13 17.759 -11.606 -14.154 1.00 5.680 N ATOM 186 CA GLY A 13 18.149 -12.398 -12.983 1.00 5.480 C ATOM 187 C GLY A 13 18.557 -11.549 -11.778 1.00 5.050 C ATOM 188 O GLY A 13 18.262 -11.907 -10.635 1.00 4.750 O ATOM 189 H GLY A 13 18.165 -11.800 -15.059 1.00 6.820 H ATOM 190 1HA GLY A 13 17.318 -13.046 -12.703 1.00 6.580 H ATOM 191 2HA GLY A 13 18.976 -13.054 -13.258 1.00 6.580 H ATOM 192 N ARG A 14 19.216 -10.416 -12.024 1.00 5.120 N ATOM 193 CA ARG A 14 19.642 -9.543 -10.938 1.00 4.890 C ATOM 194 C ARG A 14 18.483 -8.939 -10.156 1.00 4.460 C ATOM 195 O ARG A 14 18.578 -8.753 -8.942 1.00 4.250 O ATOM 196 CB ARG A 14 20.485 -8.396 -11.460 1.00 6.940 C ATOM 197 CG ARG A 14 21.868 -8.757 -11.955 1.00 6.940 C ATOM 198 CD ARG A 14 22.554 -7.552 -12.468 1.00 6.940 C ATOM 199 NE ARG A 14 23.897 -7.824 -12.943 1.00 6.940 N ATOM 200 CZ ARG A 14 24.682 -6.917 -13.564 1.00 6.940 C ATOM 201 NH1 ARG A 14 24.236 -5.691 -13.780 1.00 6.940 N ATOM 202 NH2 ARG A 14 25.904 -7.256 -13.956 1.00 6.940 N ATOM 203 H ARG A 14 19.441 -10.183 -12.980 1.00 6.140 H ATOM 204 HA ARG A 14 20.247 -10.133 -10.250 1.00 5.870 H ATOM 205 1HB ARG A 14 19.957 -7.906 -12.281 1.00 8.330 H ATOM 206 2HB ARG A 14 20.603 -7.658 -10.670 1.00 8.330 H ATOM 207 1HG ARG A 14 22.456 -9.171 -11.136 1.00 8.330 H ATOM 208 2HG ARG A 14 21.795 -9.486 -12.759 1.00 8.330 H ATOM 209 1HD ARG A 14 21.974 -7.136 -13.293 1.00 8.330 H ATOM 210 2HD ARG A 14 22.621 -6.817 -11.669 1.00 8.330 H ATOM 211 HE ARG A 14 24.273 -8.751 -12.794 1.00 8.330 H ATOM 212 1HH1 ARG A 14 23.284 -5.407 -13.485 1.00 8.330 H ATOM 213 2HH1 ARG A 14 24.817 -5.008 -14.244 1.00 8.330 H ATOM 214 1HH2 ARG A 14 26.247 -8.194 -13.791 1.00 8.330 H ATOM 215 2HH2 ARG A 14 26.496 -6.578 -14.418 1.00 8.330 H ATOM 216 N LEU A 15 17.400 -8.598 -10.843 1.00 4.470 N ATOM 217 CA LEU A 15 16.311 -7.926 -10.170 1.00 4.210 C ATOM 218 C LEU A 15 15.403 -8.950 -9.542 1.00 3.990 C ATOM 219 O LEU A 15 14.798 -8.693 -8.491 1.00 3.760 O ATOM 220 CB LEU A 15 15.558 -7.042 -11.154 1.00 6.000 C ATOM 221 CG LEU A 15 16.328 -5.880 -11.793 1.00 6.000 C ATOM 222 CD1 LEU A 15 15.404 -5.207 -12.792 1.00 6.000 C ATOM 223 CD2 LEU A 15 16.804 -4.911 -10.745 1.00 6.000 C ATOM 224 H LEU A 15 17.312 -8.834 -11.832 1.00 5.360 H ATOM 225 HA LEU A 15 16.712 -7.320 -9.370 1.00 5.050 H ATOM 226 1HB LEU A 15 15.282 -7.655 -11.967 1.00 7.200 H ATOM 227 2HB LEU A 15 14.669 -6.646 -10.678 1.00 7.200 H ATOM 228 HG LEU A 15 17.192 -6.265 -12.340 1.00 7.200 H ATOM 229 1HD1 LEU A 15 15.930 -4.386 -13.278 1.00 7.200 H ATOM 230 2HD1 LEU A 15 15.088 -5.930 -13.545 1.00 7.200 H ATOM 231 3HD1 LEU A 15 14.533 -4.822 -12.274 1.00 7.200 H ATOM 232 1HD2 LEU A 15 17.342 -4.095 -11.234 1.00 7.200 H ATOM 233 2HD2 LEU A 15 15.952 -4.521 -10.197 1.00 7.200 H ATOM 234 3HD2 LEU A 15 17.477 -5.395 -10.071 1.00 7.200 H ATOM 235 N ALA A 16 15.287 -10.111 -10.184 1.00 4.150 N ATOM 236 CA ALA A 16 14.485 -11.174 -9.629 1.00 4.010 C ATOM 237 C ALA A 16 15.116 -11.586 -8.296 1.00 3.700 C ATOM 238 O ALA A 16 14.413 -11.808 -7.304 1.00 3.510 O ATOM 239 CB ALA A 16 14.393 -12.324 -10.606 1.00 5.670 C ATOM 240 H ALA A 16 15.779 -10.258 -11.072 1.00 4.980 H ATOM 241 HA ALA A 16 13.486 -10.794 -9.427 1.00 4.810 H ATOM 242 1HB ALA A 16 13.786 -13.118 -10.182 1.00 6.800 H ATOM 243 2HB ALA A 16 13.946 -11.975 -11.536 1.00 6.800 H ATOM 244 3HB ALA A 16 15.396 -12.698 -10.809 1.00 6.800 H ATOM 245 N ARG A 17 16.466 -11.634 -8.271 1.00 3.760 N ATOM 246 CA ARG A 17 17.225 -11.950 -7.073 1.00 3.600 C ATOM 247 C ARG A 17 16.972 -10.952 -5.964 1.00 3.300 C ATOM 248 O ARG A 17 16.768 -11.361 -4.821 1.00 3.110 O ATOM 249 CB ARG A 17 18.716 -11.994 -7.349 1.00 5.100 C ATOM 250 CG ARG A 17 19.578 -12.254 -6.104 1.00 5.100 C ATOM 251 CD ARG A 17 21.013 -12.350 -6.436 1.00 5.100 C ATOM 252 NE ARG A 17 21.841 -12.523 -5.236 1.00 5.100 N ATOM 253 CZ ARG A 17 22.352 -11.516 -4.474 1.00 5.100 C ATOM 254 NH1 ARG A 17 22.123 -10.252 -4.781 1.00 5.100 N ATOM 255 NH2 ARG A 17 23.095 -11.814 -3.418 1.00 5.100 N ATOM 256 H ARG A 17 16.983 -11.489 -9.140 1.00 4.510 H ATOM 257 HA ARG A 17 16.918 -12.935 -6.729 1.00 4.320 H ATOM 258 1HB ARG A 17 18.927 -12.770 -8.081 1.00 6.120 H ATOM 259 2HB ARG A 17 19.032 -11.047 -7.781 1.00 6.120 H ATOM 260 1HG ARG A 17 19.456 -11.441 -5.389 1.00 6.120 H ATOM 261 2HG ARG A 17 19.269 -13.190 -5.639 1.00 6.120 H ATOM 262 1HD ARG A 17 21.167 -13.219 -7.078 1.00 6.120 H ATOM 263 2HD ARG A 17 21.335 -11.458 -6.967 1.00 6.120 H ATOM 264 HE ARG A 17 22.054 -13.473 -4.956 1.00 6.120 H ATOM 265 1HH1 ARG A 17 21.560 -10.017 -5.585 1.00 6.120 H ATOM 266 2HH1 ARG A 17 22.523 -9.514 -4.220 1.00 6.120 H ATOM 267 1HH2 ARG A 17 23.274 -12.782 -3.183 1.00 6.120 H ATOM 268 2HH2 ARG A 17 23.495 -11.081 -2.852 1.00 6.120 H ATOM 269 N LEU A 18 17.007 -9.655 -6.279 1.00 3.340 N ATOM 270 CA LEU A 18 16.777 -8.638 -5.269 1.00 3.150 C ATOM 271 C LEU A 18 15.380 -8.745 -4.678 1.00 2.980 C ATOM 272 O LEU A 18 15.203 -8.552 -3.467 1.00 2.810 O ATOM 273 CB LEU A 18 17.019 -7.259 -5.894 1.00 4.490 C ATOM 274 CG LEU A 18 18.504 -6.935 -6.232 1.00 4.490 C ATOM 275 CD1 LEU A 18 18.579 -5.682 -7.081 1.00 4.490 C ATOM 276 CD2 LEU A 18 19.281 -6.719 -4.965 1.00 4.490 C ATOM 277 H LEU A 18 17.248 -9.370 -7.234 1.00 4.010 H ATOM 278 HA LEU A 18 17.480 -8.804 -4.462 1.00 3.780 H ATOM 279 1HB LEU A 18 16.451 -7.206 -6.821 1.00 5.380 H ATOM 280 2HB LEU A 18 16.646 -6.504 -5.230 1.00 5.380 H ATOM 281 HG LEU A 18 18.937 -7.756 -6.785 1.00 5.380 H ATOM 282 1HD1 LEU A 18 19.615 -5.472 -7.324 1.00 5.380 H ATOM 283 2HD1 LEU A 18 18.033 -5.845 -7.984 1.00 5.380 H ATOM 284 3HD1 LEU A 18 18.170 -4.850 -6.567 1.00 5.380 H ATOM 285 1HD2 LEU A 18 20.313 -6.487 -5.220 1.00 5.380 H ATOM 286 2HD2 LEU A 18 18.841 -5.889 -4.430 1.00 5.380 H ATOM 287 3HD2 LEU A 18 19.270 -7.596 -4.337 1.00 5.380 H ATOM 288 N CYS A 19 14.383 -9.053 -5.514 1.00 3.140 N ATOM 289 CA CYS A 19 13.020 -9.199 -5.018 1.00 3.120 C ATOM 290 C CYS A 19 12.921 -10.398 -4.066 1.00 2.930 C ATOM 291 O CYS A 19 12.322 -10.299 -2.986 1.00 2.860 O ATOM 292 CB CYS A 19 12.057 -9.398 -6.186 1.00 4.380 C ATOM 293 SG CYS A 19 11.873 -7.941 -7.225 1.00 4.380 S ATOM 294 H CYS A 19 14.583 -9.138 -6.517 1.00 3.770 H ATOM 295 HA CYS A 19 12.746 -8.293 -4.479 1.00 3.740 H ATOM 296 1HB CYS A 19 12.408 -10.217 -6.816 1.00 5.250 H ATOM 297 2HB CYS A 19 11.081 -9.675 -5.807 1.00 5.250 H ATOM 298 HG CYS A 19 13.043 -8.128 -7.897 1.00 5.250 H ATOM 299 N SER A 20 13.559 -11.515 -4.445 1.00 2.950 N ATOM 300 CA SER A 20 13.574 -12.727 -3.631 1.00 2.880 C ATOM 301 C SER A 20 14.262 -12.470 -2.296 1.00 2.660 C ATOM 302 O SER A 20 13.781 -12.898 -1.239 1.00 2.720 O ATOM 303 CB SER A 20 14.279 -13.846 -4.367 1.00 4.060 C ATOM 304 OG SER A 20 14.289 -15.023 -3.604 1.00 4.060 O ATOM 305 H SER A 20 14.014 -11.542 -5.364 1.00 3.540 H ATOM 306 HA SER A 20 12.545 -13.027 -3.439 1.00 3.460 H ATOM 307 1HB SER A 20 13.781 -14.024 -5.320 1.00 4.870 H ATOM 308 2HB SER A 20 15.301 -13.545 -4.588 1.00 4.870 H ATOM 309 HG SER A 20 14.767 -15.668 -4.126 1.00 4.870 H ATOM 310 N GLN A 21 15.403 -11.783 -2.335 1.00 2.540 N ATOM 311 CA GLN A 21 16.116 -11.485 -1.114 1.00 2.440 C ATOM 312 C GLN A 21 15.319 -10.550 -0.206 1.00 2.380 C ATOM 313 O GLN A 21 15.369 -10.714 1.019 1.00 2.380 O ATOM 314 CB GLN A 21 17.490 -10.939 -1.431 1.00 3.460 C ATOM 315 CG GLN A 21 18.456 -11.969 -2.018 1.00 3.460 C ATOM 316 CD GLN A 21 18.810 -13.083 -1.052 1.00 3.460 C ATOM 317 OE1 GLN A 21 19.220 -12.872 0.103 1.00 3.460 O ATOM 318 NE2 GLN A 21 18.627 -14.307 -1.516 1.00 3.460 N ATOM 319 H GLN A 21 15.784 -11.485 -3.236 1.00 3.050 H ATOM 320 HA GLN A 21 16.253 -12.419 -0.574 1.00 2.930 H ATOM 321 1HB GLN A 21 17.382 -10.140 -2.164 1.00 4.150 H ATOM 322 2HB GLN A 21 17.915 -10.518 -0.547 1.00 4.150 H ATOM 323 1HG GLN A 21 17.982 -12.428 -2.880 1.00 4.150 H ATOM 324 2HG GLN A 21 19.374 -11.478 -2.325 1.00 4.150 H ATOM 325 1HE2 GLN A 21 18.828 -15.102 -0.939 1.00 4.150 H ATOM 326 2HE2 GLN A 21 18.262 -14.435 -2.439 1.00 4.150 H ATOM 327 N MET A 22 14.552 -9.595 -0.760 1.00 2.460 N ATOM 328 CA MET A 22 13.762 -8.796 0.153 1.00 2.550 C ATOM 329 C MET A 22 12.719 -9.678 0.827 1.00 2.370 C ATOM 330 O MET A 22 12.509 -9.547 2.037 1.00 2.290 O ATOM 331 CB MET A 22 13.074 -7.615 -0.506 1.00 3.530 C ATOM 332 CG MET A 22 12.402 -6.711 0.543 1.00 3.530 C ATOM 333 SD MET A 22 13.579 -5.919 1.630 1.00 3.530 S ATOM 334 CE MET A 22 12.688 -6.036 3.181 1.00 3.530 C ATOM 335 H MET A 22 14.581 -9.405 -1.769 1.00 2.950 H ATOM 336 HA MET A 22 14.424 -8.413 0.927 1.00 3.060 H ATOM 337 1HB MET A 22 13.801 -7.042 -1.076 1.00 4.240 H ATOM 338 2HB MET A 22 12.311 -7.977 -1.205 1.00 4.240 H ATOM 339 1HG MET A 22 11.831 -5.959 0.070 1.00 4.240 H ATOM 340 2HG MET A 22 11.726 -7.291 1.159 1.00 4.240 H ATOM 341 1HE MET A 22 13.292 -5.594 3.969 1.00 4.240 H ATOM 342 2HE MET A 22 11.739 -5.506 3.109 1.00 4.240 H ATOM 343 3HE MET A 22 12.495 -7.086 3.413 1.00 4.240 H ATOM 344 N GLU A 23 12.097 -10.606 0.079 1.00 2.380 N ATOM 345 CA GLU A 23 11.129 -11.510 0.697 1.00 2.250 C ATOM 346 C GLU A 23 11.804 -12.278 1.834 1.00 1.990 C ATOM 347 O GLU A 23 11.231 -12.423 2.914 1.00 1.920 O ATOM 348 CB GLU A 23 10.520 -12.492 -0.303 1.00 3.200 C ATOM 349 CG GLU A 23 9.473 -13.434 0.324 1.00 3.200 C ATOM 350 CD GLU A 23 8.849 -14.376 -0.661 1.00 3.200 C ATOM 351 OE1 GLU A 23 8.960 -14.143 -1.834 1.00 3.200 O ATOM 352 OE2 GLU A 23 8.283 -15.355 -0.234 1.00 3.200 O ATOM 353 H GLU A 23 12.274 -10.649 -0.932 1.00 2.860 H ATOM 354 HA GLU A 23 10.321 -10.913 1.111 1.00 2.700 H ATOM 355 1HB GLU A 23 10.050 -11.937 -1.116 1.00 3.840 H ATOM 356 2HB GLU A 23 11.304 -13.106 -0.737 1.00 3.840 H ATOM 357 1HG GLU A 23 9.946 -14.023 1.109 1.00 3.840 H ATOM 358 2HG GLU A 23 8.694 -12.829 0.789 1.00 3.840 H ATOM 359 N ALA A 24 13.056 -12.706 1.627 1.00 1.980 N ATOM 360 CA ALA A 24 13.796 -13.424 2.660 1.00 1.910 C ATOM 361 C ALA A 24 13.894 -12.598 3.951 1.00 1.910 C ATOM 362 O ALA A 24 13.957 -13.162 5.046 1.00 2.000 O ATOM 363 CB ALA A 24 15.185 -13.794 2.172 1.00 2.700 C ATOM 364 H ALA A 24 13.458 -12.593 0.688 1.00 2.380 H ATOM 365 HA ALA A 24 13.248 -14.334 2.883 1.00 2.290 H ATOM 366 1HB ALA A 24 15.701 -14.358 2.946 1.00 3.240 H ATOM 367 2HB ALA A 24 15.101 -14.398 1.269 1.00 3.240 H ATOM 368 3HB ALA A 24 15.746 -12.902 1.954 1.00 3.240 H ATOM 369 N ARG A 25 13.981 -11.262 3.830 1.00 1.960 N ATOM 370 CA ARG A 25 14.020 -10.407 5.015 1.00 2.070 C ATOM 371 C ARG A 25 12.599 -10.319 5.584 1.00 2.110 C ATOM 372 O ARG A 25 12.382 -10.412 6.794 1.00 2.290 O ATOM 373 CB ARG A 25 14.578 -9.017 4.697 1.00 2.850 C ATOM 374 CG ARG A 25 16.110 -8.898 4.776 1.00 2.850 C ATOM 375 CD ARG A 25 16.779 -9.589 3.643 1.00 2.850 C ATOM 376 NE ARG A 25 18.224 -9.569 3.747 1.00 2.850 N ATOM 377 CZ ARG A 25 19.034 -10.271 2.934 1.00 2.850 C ATOM 378 NH1 ARG A 25 18.501 -10.995 1.985 1.00 2.850 N ATOM 379 NH2 ARG A 25 20.346 -10.241 3.099 1.00 2.850 N ATOM 380 H ARG A 25 14.025 -10.847 2.890 1.00 2.350 H ATOM 381 HA ARG A 25 14.663 -10.870 5.763 1.00 2.480 H ATOM 382 1HB ARG A 25 14.296 -8.741 3.683 1.00 3.420 H ATOM 383 2HB ARG A 25 14.144 -8.278 5.370 1.00 3.420 H ATOM 384 1HG ARG A 25 16.391 -7.846 4.745 1.00 3.420 H ATOM 385 2HG ARG A 25 16.463 -9.344 5.707 1.00 3.420 H ATOM 386 1HD ARG A 25 16.476 -10.622 3.613 1.00 3.420 H ATOM 387 2HD ARG A 25 16.497 -9.095 2.709 1.00 3.420 H ATOM 388 HE ARG A 25 18.644 -9.021 4.481 1.00 3.420 H ATOM 389 1HH1 ARG A 25 17.490 -11.013 1.867 1.00 3.420 H ATOM 390 2HH1 ARG A 25 19.071 -11.551 1.341 1.00 3.420 H ATOM 391 1HH2 ARG A 25 20.750 -9.685 3.837 1.00 3.420 H ATOM 392 2HH2 ARG A 25 20.943 -10.775 2.484 1.00 3.420 H ATOM 393 N GLN A 26 11.611 -10.238 4.697 1.00 2.040 N ATOM 394 CA GLN A 26 10.210 -10.151 5.095 1.00 2.160 C ATOM 395 C GLN A 26 9.792 -11.346 5.940 1.00 2.170 C ATOM 396 O GLN A 26 9.009 -11.173 6.882 1.00 2.380 O ATOM 397 CB GLN A 26 9.289 -10.068 3.887 1.00 2.980 C ATOM 398 CG GLN A 26 7.813 -9.854 4.232 1.00 2.980 C ATOM 399 CD GLN A 26 7.499 -8.514 4.857 1.00 2.980 C ATOM 400 OE1 GLN A 26 7.546 -7.447 4.192 1.00 2.980 O ATOM 401 NE2 GLN A 26 7.158 -8.546 6.142 1.00 2.980 N ATOM 402 H GLN A 26 11.862 -10.149 3.708 1.00 2.450 H ATOM 403 HA GLN A 26 10.084 -9.251 5.695 1.00 2.590 H ATOM 404 1HB GLN A 26 9.653 -9.286 3.242 1.00 3.570 H ATOM 405 2HB GLN A 26 9.332 -10.992 3.336 1.00 3.570 H ATOM 406 1HG GLN A 26 7.241 -9.933 3.313 1.00 3.570 H ATOM 407 2HG GLN A 26 7.483 -10.628 4.914 1.00 3.570 H ATOM 408 1HE2 GLN A 26 6.930 -7.705 6.639 1.00 3.570 H ATOM 409 2HE2 GLN A 26 7.133 -9.430 6.630 1.00 3.570 H ATOM 410 N LYS A 27 10.367 -12.526 5.646 1.00 2.030 N ATOM 411 CA LYS A 27 10.093 -13.799 6.326 1.00 2.150 C ATOM 412 C LYS A 27 10.261 -13.749 7.843 1.00 2.290 C ATOM 413 O LYS A 27 9.845 -14.677 8.541 1.00 2.600 O ATOM 414 CB LYS A 27 10.940 -14.952 5.776 1.00 2.960 C ATOM 415 CG LYS A 27 10.569 -15.436 4.372 1.00 2.960 C ATOM 416 CD LYS A 27 11.463 -16.597 3.923 1.00 2.960 C ATOM 417 CE LYS A 27 11.123 -17.049 2.506 1.00 2.960 C ATOM 418 NZ LYS A 27 12.001 -18.171 2.051 1.00 2.960 N ATOM 419 H LYS A 27 10.963 -12.538 4.811 1.00 2.440 H ATOM 420 HA LYS A 27 9.051 -14.051 6.130 1.00 2.580 H ATOM 421 1HB LYS A 27 11.984 -14.640 5.749 1.00 3.550 H ATOM 422 2HB LYS A 27 10.874 -15.802 6.452 1.00 3.550 H ATOM 423 1HG LYS A 27 9.532 -15.771 4.374 1.00 3.550 H ATOM 424 2HG LYS A 27 10.657 -14.629 3.668 1.00 3.550 H ATOM 425 1HD LYS A 27 12.508 -16.294 3.966 1.00 3.550 H ATOM 426 2HD LYS A 27 11.323 -17.437 4.601 1.00 3.550 H ATOM 427 1HE LYS A 27 10.085 -17.377 2.476 1.00 3.550 H ATOM 428 2HE LYS A 27 11.245 -16.204 1.822 1.00 3.550 H ATOM 429 1HZ LYS A 27 11.741 -18.439 1.111 1.00 3.550 H ATOM 430 2HZ LYS A 27 12.967 -17.873 2.061 1.00 3.550 H ATOM 431 3HZ LYS A 27 11.887 -18.964 2.669 1.00 3.550 H ATOM 432 N GLU A 28 10.841 -12.680 8.406 1.00 2.200 N ATOM 433 CA GLU A 28 10.929 -12.611 9.865 1.00 2.350 C ATOM 434 C GLU A 28 9.503 -12.678 10.436 1.00 2.600 C ATOM 435 O GLU A 28 9.288 -13.213 11.530 1.00 2.890 O ATOM 436 CB GLU A 28 11.591 -11.322 10.353 1.00 3.230 C ATOM 437 CG GLU A 28 13.077 -11.212 10.119 1.00 3.230 C ATOM 438 CD GLU A 28 13.624 -9.900 10.621 1.00 3.230 C ATOM 439 OE1 GLU A 28 12.849 -9.061 11.016 1.00 3.230 O ATOM 440 OE2 GLU A 28 14.820 -9.738 10.616 1.00 3.230 O ATOM 441 H GLU A 28 11.218 -11.923 7.821 1.00 2.640 H ATOM 442 HA GLU A 28 11.497 -13.466 10.230 1.00 2.820 H ATOM 443 1HB GLU A 28 11.123 -10.476 9.847 1.00 3.880 H ATOM 444 2HB GLU A 28 11.409 -11.204 11.420 1.00 3.880 H ATOM 445 1HG GLU A 28 13.578 -12.028 10.637 1.00 3.880 H ATOM 446 2HG GLU A 28 13.281 -11.312 9.054 1.00 3.880 H ATOM 447 N CYS A 29 8.524 -12.183 9.642 1.00 2.670 N ATOM 448 CA CYS A 29 7.098 -12.131 9.970 1.00 3.050 C ATOM 449 C CYS A 29 6.455 -13.516 10.035 1.00 3.310 C ATOM 450 O CYS A 29 5.245 -13.618 10.222 1.00 3.610 O ATOM 451 CB CYS A 29 6.314 -11.285 8.958 1.00 4.120 C ATOM 452 SG CYS A 29 6.162 -12.017 7.314 1.00 4.120 S ATOM 453 H CYS A 29 8.808 -11.777 8.748 1.00 3.200 H ATOM 454 HA CYS A 29 6.991 -11.671 10.952 1.00 3.660 H ATOM 455 1HB CYS A 29 5.315 -11.103 9.338 1.00 4.940 H ATOM 456 2HB CYS A 29 6.802 -10.320 8.849 1.00 4.940 H ATOM 457 HG CYS A 29 7.450 -11.828 6.967 1.00 4.940 H ATOM 458 N GLY A 30 7.232 -14.589 9.816 1.00 3.580 N ATOM 459 CA GLY A 30 6.730 -15.926 10.065 1.00 4.280 C ATOM 460 C GLY A 30 6.365 -15.991 11.560 1.00 4.470 C ATOM 461 O GLY A 30 5.410 -16.671 11.946 1.00 4.920 O ATOM 462 H GLY A 30 8.204 -14.480 9.521 1.00 4.300 H ATOM 463 1HA GLY A 30 5.858 -16.125 9.446 1.00 5.140 H ATOM 464 2HA GLY A 30 7.498 -16.661 9.828 1.00 5.140 H ATOM 465 N ALA A 31 7.150 -15.292 12.404 1.00 4.530 N ATOM 466 CA ALA A 31 6.863 -15.164 13.825 1.00 5.070 C ATOM 467 C ALA A 31 5.596 -14.352 13.872 1.00 4.800 C ATOM 468 O ALA A 31 5.413 -13.518 12.998 1.00 4.950 O ATOM 469 CB ALA A 31 7.994 -14.479 14.565 1.00 6.880 C ATOM 470 H ALA A 31 7.959 -14.784 12.033 1.00 5.440 H ATOM 471 HA ALA A 31 6.672 -16.147 14.252 1.00 6.080 H ATOM 472 1HB ALA A 31 7.730 -14.363 15.614 1.00 8.260 H ATOM 473 2HB ALA A 31 8.900 -15.077 14.480 1.00 8.260 H ATOM 474 3HB ALA A 31 8.164 -13.497 14.120 1.00 8.260 H ATOM 475 N SER A 32 4.728 -14.511 14.864 1.00 4.790 N ATOM 476 CA SER A 32 3.505 -13.723 14.776 1.00 4.900 C ATOM 477 C SER A 32 3.831 -12.249 14.460 1.00 4.520 C ATOM 478 O SER A 32 4.565 -11.612 15.222 1.00 4.130 O ATOM 479 CB SER A 32 2.759 -13.794 16.093 1.00 6.820 C ATOM 480 OG SER A 32 2.348 -15.108 16.371 1.00 6.820 O ATOM 481 H SER A 32 4.867 -15.177 15.611 1.00 5.750 H ATOM 482 HA SER A 32 2.872 -14.182 14.031 1.00 5.880 H ATOM 483 1HB SER A 32 3.400 -13.428 16.894 1.00 8.180 H ATOM 484 2HB SER A 32 1.887 -13.139 16.048 1.00 8.180 H ATOM 485 HG SER A 32 1.873 -15.064 17.207 1.00 8.180 H ATOM 486 N PRO A 33 3.286 -11.683 13.356 1.00 4.940 N ATOM 487 CA PRO A 33 3.446 -10.307 12.925 1.00 5.050 C ATOM 488 C PRO A 33 2.856 -9.325 13.915 1.00 4.820 C ATOM 489 O PRO A 33 1.864 -9.632 14.578 1.00 5.210 O ATOM 490 CB PRO A 33 2.656 -10.260 11.608 1.00 7.570 C ATOM 491 CG PRO A 33 2.571 -11.682 11.132 1.00 7.570 C ATOM 492 CD PRO A 33 2.559 -12.529 12.369 1.00 7.570 C ATOM 493 HA PRO A 33 4.515 -10.104 12.762 1.00 6.060 H ATOM 494 1HB PRO A 33 1.680 -9.784 11.773 1.00 9.090 H ATOM 495 2HB PRO A 33 3.193 -9.630 10.889 1.00 9.090 H ATOM 496 1HG PRO A 33 1.659 -11.824 10.526 1.00 9.090 H ATOM 497 2HG PRO A 33 3.418 -11.924 10.480 1.00 9.090 H ATOM 498 1HD PRO A 33 1.556 -12.764 12.702 1.00 9.090 H ATOM 499 2HD PRO A 33 3.143 -13.424 12.090 1.00 9.090 H ATOM 500 N ASP A 34 3.417 -8.120 13.977 1.00 4.530 N ATOM 501 CA ASP A 34 2.810 -7.065 14.778 1.00 4.710 C ATOM 502 C ASP A 34 1.419 -6.858 14.249 1.00 4.420 C ATOM 503 O ASP A 34 1.215 -6.866 13.033 1.00 4.390 O ATOM 504 CB ASP A 34 3.550 -5.713 14.700 1.00 6.520 C ATOM 505 CG ASP A 34 2.944 -4.605 15.710 1.00 6.520 C ATOM 506 OD1 ASP A 34 3.369 -4.599 16.846 1.00 6.520 O ATOM 507 OD2 ASP A 34 2.040 -3.820 15.318 1.00 6.520 O ATOM 508 H ASP A 34 4.257 -7.927 13.449 1.00 5.440 H ATOM 509 HA ASP A 34 2.751 -7.387 15.820 1.00 5.650 H ATOM 510 1HB ASP A 34 4.601 -5.862 14.945 1.00 7.830 H ATOM 511 2HB ASP A 34 3.504 -5.331 13.679 1.00 7.830 H ATOM 512 N PHE A 35 0.478 -6.597 15.128 1.00 4.490 N ATOM 513 CA PHE A 35 -0.866 -6.314 14.685 1.00 4.440 C ATOM 514 C PHE A 35 -0.916 -5.377 13.487 1.00 4.030 C ATOM 515 O PHE A 35 -1.721 -5.591 12.586 1.00 4.120 O ATOM 516 CB PHE A 35 -1.682 -5.717 15.790 1.00 6.240 C ATOM 517 CG PHE A 35 -2.973 -5.258 15.325 1.00 6.240 C ATOM 518 CD1 PHE A 35 -4.002 -6.091 15.192 1.00 6.240 C ATOM 519 CD2 PHE A 35 -3.132 -3.950 14.987 1.00 6.240 C ATOM 520 CE1 PHE A 35 -5.164 -5.619 14.726 1.00 6.240 C ATOM 521 CE2 PHE A 35 -4.288 -3.452 14.539 1.00 6.240 C ATOM 522 CZ PHE A 35 -5.312 -4.293 14.401 1.00 6.240 C ATOM 523 H PHE A 35 0.700 -6.599 16.116 1.00 5.390 H ATOM 524 HA PHE A 35 -1.329 -7.256 14.396 1.00 5.330 H ATOM 525 1HB PHE A 35 -1.855 -6.483 16.519 1.00 7.480 H ATOM 526 2HB PHE A 35 -1.152 -4.895 16.263 1.00 7.480 H ATOM 527 HD1 PHE A 35 -3.895 -7.144 15.456 1.00 7.480 H ATOM 528 HD2 PHE A 35 -2.297 -3.332 15.075 1.00 7.480 H ATOM 529 HE1 PHE A 35 -6.000 -6.296 14.616 1.00 7.480 H ATOM 530 HE2 PHE A 35 -4.386 -2.395 14.270 1.00 7.480 H ATOM 531 HZ PHE A 35 -6.248 -3.939 14.026 1.00 7.480 H ATOM 532 N SER A 36 -0.103 -4.313 13.473 1.00 4.050 N ATOM 533 CA SER A 36 -0.161 -3.374 12.362 1.00 4.240 C ATOM 534 C SER A 36 0.140 -4.029 11.006 1.00 3.790 C ATOM 535 O SER A 36 -0.355 -3.571 9.966 1.00 4.300 O ATOM 536 CB SER A 36 0.817 -2.263 12.614 1.00 5.860 C ATOM 537 OG SER A 36 2.120 -2.759 12.685 1.00 5.860 O ATOM 538 H SER A 36 0.589 -4.158 14.218 1.00 4.860 H ATOM 539 HA SER A 36 -1.161 -2.949 12.332 1.00 5.090 H ATOM 540 1HB SER A 36 0.749 -1.567 11.803 1.00 7.030 H ATOM 541 2HB SER A 36 0.567 -1.741 13.530 1.00 7.030 H ATOM 542 HG SER A 36 2.200 -3.121 13.603 1.00 7.030 H ATOM 543 N ALA A 37 0.945 -5.108 11.003 1.00 3.340 N ATOM 544 CA ALA A 37 1.271 -5.849 9.796 1.00 3.600 C ATOM 545 C ALA A 37 0.027 -6.533 9.292 1.00 3.300 C ATOM 546 O ALA A 37 -0.198 -6.620 8.087 1.00 3.840 O ATOM 547 CB ALA A 37 2.367 -6.857 10.061 1.00 4.940 C ATOM 548 H ALA A 37 1.328 -5.456 11.877 1.00 4.010 H ATOM 549 HA ALA A 37 1.593 -5.151 9.039 1.00 4.320 H ATOM 550 1HB ALA A 37 2.594 -7.388 9.150 1.00 5.920 H ATOM 551 2HB ALA A 37 3.256 -6.341 10.414 1.00 5.920 H ATOM 552 3HB ALA A 37 2.027 -7.549 10.811 1.00 5.920 H ATOM 553 N PHE A 38 -0.790 -7.006 10.234 1.00 2.920 N ATOM 554 CA PHE A 38 -2.031 -7.669 9.872 1.00 3.120 C ATOM 555 C PHE A 38 -3.053 -6.657 9.424 1.00 2.850 C ATOM 556 O PHE A 38 -3.828 -6.858 8.483 1.00 3.440 O ATOM 557 CB PHE A 38 -2.684 -8.402 11.059 1.00 4.290 C ATOM 558 CG PHE A 38 -2.129 -9.703 11.488 1.00 4.290 C ATOM 559 CD1 PHE A 38 -1.159 -9.785 12.467 1.00 4.290 C ATOM 560 CD2 PHE A 38 -2.643 -10.872 10.958 1.00 4.290 C ATOM 561 CE1 PHE A 38 -0.711 -11.012 12.893 1.00 4.290 C ATOM 562 CE2 PHE A 38 -2.196 -12.099 11.383 1.00 4.290 C ATOM 563 CZ PHE A 38 -1.231 -12.170 12.350 1.00 4.290 C ATOM 564 H PHE A 38 -0.506 -6.896 11.215 1.00 3.500 H ATOM 565 HA PHE A 38 -1.823 -8.332 9.065 1.00 3.740 H ATOM 566 1HB PHE A 38 -2.683 -7.747 11.921 1.00 5.150 H ATOM 567 2HB PHE A 38 -3.724 -8.570 10.812 1.00 5.150 H ATOM 568 HD1 PHE A 38 -0.745 -8.880 12.907 1.00 5.150 H ATOM 569 HD2 PHE A 38 -3.425 -10.810 10.197 1.00 5.150 H ATOM 570 HE1 PHE A 38 0.058 -11.060 13.672 1.00 5.150 H ATOM 571 HE2 PHE A 38 -2.611 -13.010 10.961 1.00 5.150 H ATOM 572 HZ PHE A 38 -0.876 -13.139 12.693 1.00 5.150 H ATOM 573 N ALA A 39 -3.111 -5.581 10.175 1.00 2.530 N ATOM 574 CA ALA A 39 -4.101 -4.574 9.959 1.00 2.470 C ATOM 575 C ALA A 39 -4.000 -3.933 8.582 1.00 2.010 C ATOM 576 O ALA A 39 -5.021 -3.615 7.969 1.00 2.290 O ATOM 577 CB ALA A 39 -4.012 -3.591 11.082 1.00 3.480 C ATOM 578 H ALA A 39 -2.450 -5.476 10.942 1.00 3.040 H ATOM 579 HA ALA A 39 -5.052 -5.053 10.016 1.00 2.960 H ATOM 580 1HB ALA A 39 -4.788 -2.869 11.011 1.00 4.180 H ATOM 581 2HB ALA A 39 -4.120 -4.154 11.973 1.00 4.180 H ATOM 582 3HB ALA A 39 -3.050 -3.117 11.075 1.00 4.180 H ATOM 583 N LEU A 40 -2.781 -3.742 8.073 1.00 1.890 N ATOM 584 CA LEU A 40 -2.647 -3.147 6.756 1.00 1.940 C ATOM 585 C LEU A 40 -3.371 -4.095 5.781 1.00 1.780 C ATOM 586 O LEU A 40 -3.087 -5.287 5.737 1.00 2.060 O ATOM 587 CB LEU A 40 -1.152 -2.958 6.430 1.00 2.700 C ATOM 588 CG LEU A 40 -0.798 -2.128 5.153 1.00 2.700 C ATOM 589 CD1 LEU A 40 -1.203 -0.674 5.346 1.00 2.700 C ATOM 590 CD2 LEU A 40 0.672 -2.163 4.911 1.00 2.700 C ATOM 591 H LEU A 40 -1.949 -3.953 8.631 1.00 2.270 H ATOM 592 HA LEU A 40 -3.147 -2.194 6.748 1.00 2.330 H ATOM 593 1HB LEU A 40 -0.674 -2.474 7.289 1.00 3.240 H ATOM 594 2HB LEU A 40 -0.704 -3.952 6.316 1.00 3.240 H ATOM 595 HG LEU A 40 -1.323 -2.538 4.308 1.00 3.240 H ATOM 596 1HD1 LEU A 40 -0.939 -0.101 4.463 1.00 3.240 H ATOM 597 2HD1 LEU A 40 -2.265 -0.584 5.510 1.00 3.240 H ATOM 598 3HD1 LEU A 40 -0.669 -0.266 6.204 1.00 3.240 H ATOM 599 1HD2 LEU A 40 0.915 -1.583 4.024 1.00 3.240 H ATOM 600 2HD2 LEU A 40 1.136 -1.728 5.768 1.00 3.240 H ATOM 601 3HD2 LEU A 40 1.017 -3.173 4.788 1.00 3.240 H ATOM 602 N ASP A 41 -4.305 -3.566 4.991 1.00 1.650 N ATOM 603 CA ASP A 41 -5.134 -4.391 4.106 1.00 1.660 C ATOM 604 C ASP A 41 -4.525 -4.731 2.746 1.00 1.640 C ATOM 605 O ASP A 41 -3.341 -4.489 2.525 1.00 1.520 O ATOM 606 CB ASP A 41 -6.516 -3.726 3.990 1.00 2.320 C ATOM 607 CG ASP A 41 -6.520 -2.336 3.303 1.00 2.320 C ATOM 608 OD1 ASP A 41 -5.573 -1.996 2.596 1.00 2.320 O ATOM 609 OD2 ASP A 41 -7.463 -1.617 3.519 1.00 2.320 O ATOM 610 H ASP A 41 -4.481 -2.570 5.028 1.00 1.980 H ATOM 611 HA ASP A 41 -5.294 -5.339 4.623 1.00 1.990 H ATOM 612 1HB ASP A 41 -7.204 -4.381 3.468 1.00 2.780 H ATOM 613 2HB ASP A 41 -6.916 -3.596 5.002 1.00 2.780 H ATOM 614 N GLU A 42 -5.336 -5.387 1.868 1.00 1.820 N ATOM 615 CA GLU A 42 -4.932 -5.869 0.527 1.00 1.890 C ATOM 616 C GLU A 42 -4.946 -4.785 -0.556 1.00 1.820 C ATOM 617 O GLU A 42 -4.268 -4.911 -1.585 1.00 1.770 O ATOM 618 CB GLU A 42 -5.774 -7.064 0.111 1.00 2.620 C ATOM 619 CG GLU A 42 -5.354 -7.725 -1.183 1.00 2.620 C ATOM 620 CD GLU A 42 -6.065 -9.029 -1.476 1.00 2.620 C ATOM 621 OE1 GLU A 42 -6.953 -9.432 -0.731 1.00 2.620 O ATOM 622 OE2 GLU A 42 -5.689 -9.640 -2.461 1.00 2.620 O ATOM 623 H GLU A 42 -6.290 -5.562 2.139 1.00 2.180 H ATOM 624 HA GLU A 42 -3.901 -6.215 0.605 1.00 2.270 H ATOM 625 1HB GLU A 42 -5.651 -7.806 0.850 1.00 3.140 H ATOM 626 2HB GLU A 42 -6.829 -6.794 0.061 1.00 3.140 H ATOM 627 1HG GLU A 42 -5.553 -7.045 -2.007 1.00 3.140 H ATOM 628 2HG GLU A 42 -4.277 -7.899 -1.147 1.00 3.140 H ATOM 629 N VAL A 43 -5.777 -3.753 -0.344 1.00 1.850 N ATOM 630 CA VAL A 43 -5.810 -2.585 -1.221 1.00 1.850 C ATOM 631 C VAL A 43 -4.417 -1.966 -1.073 1.00 1.670 C ATOM 632 O VAL A 43 -3.815 -1.467 -2.032 1.00 1.640 O ATOM 633 CB VAL A 43 -6.915 -1.596 -0.799 1.00 2.590 C ATOM 634 CG1 VAL A 43 -6.806 -0.300 -1.603 1.00 2.590 C ATOM 635 CG2 VAL A 43 -8.271 -2.252 -1.011 1.00 2.590 C ATOM 636 H VAL A 43 -6.369 -3.769 0.471 1.00 2.220 H ATOM 637 HA VAL A 43 -5.966 -2.896 -2.252 1.00 2.220 H ATOM 638 HB VAL A 43 -6.788 -1.343 0.260 1.00 3.110 H ATOM 639 1HG1 VAL A 43 -7.590 0.386 -1.285 1.00 3.110 H ATOM 640 2HG1 VAL A 43 -5.835 0.165 -1.434 1.00 3.110 H ATOM 641 3HG1 VAL A 43 -6.922 -0.518 -2.665 1.00 3.110 H ATOM 642 1HG2 VAL A 43 -9.060 -1.563 -0.702 1.00 3.110 H ATOM 643 2HG2 VAL A 43 -8.394 -2.498 -2.065 1.00 3.110 H ATOM 644 3HG2 VAL A 43 -8.338 -3.161 -0.418 1.00 3.110 H ATOM 645 N SER A 44 -3.962 -1.985 0.175 1.00 1.600 N ATOM 646 CA SER A 44 -2.661 -1.597 0.667 1.00 1.510 C ATOM 647 C SER A 44 -1.803 -2.881 0.586 1.00 1.400 C ATOM 648 O SER A 44 -2.384 -3.879 0.210 1.00 1.350 O ATOM 649 CB SER A 44 -2.762 -1.113 2.097 1.00 2.150 C ATOM 650 OG SER A 44 -3.655 -0.049 2.207 1.00 2.150 O ATOM 651 H SER A 44 -4.603 -2.320 0.902 1.00 1.920 H ATOM 652 HA SER A 44 -2.240 -0.824 0.029 1.00 1.810 H ATOM 653 1HB SER A 44 -3.076 -1.922 2.745 1.00 2.580 H ATOM 654 2HB SER A 44 -1.783 -0.790 2.417 1.00 2.580 H ATOM 655 HG SER A 44 -4.541 -0.493 2.274 1.00 2.580 H ATOM 656 N MET A 45 -0.896 -2.974 1.557 1.00 1.430 N ATOM 657 CA MET A 45 0.371 -3.736 1.431 1.00 1.450 C ATOM 658 C MET A 45 1.043 -3.668 0.046 1.00 1.420 C ATOM 659 O MET A 45 1.826 -4.551 -0.324 1.00 1.390 O ATOM 660 CB MET A 45 0.086 -5.211 1.800 1.00 2.020 C ATOM 661 CG MET A 45 -0.313 -5.469 3.309 1.00 2.020 C ATOM 662 SD MET A 45 -0.601 -7.218 3.720 1.00 2.020 S ATOM 663 CE MET A 45 -2.202 -7.570 2.974 1.00 2.020 C ATOM 664 H MET A 45 -1.445 -3.350 2.329 1.00 1.720 H ATOM 665 HA MET A 45 1.076 -3.331 2.154 1.00 1.740 H ATOM 666 1HB MET A 45 -0.725 -5.585 1.176 1.00 2.430 H ATOM 667 2HB MET A 45 0.969 -5.822 1.583 1.00 2.430 H ATOM 668 1HG MET A 45 0.475 -5.123 3.944 1.00 2.430 H ATOM 669 2HG MET A 45 -1.205 -4.922 3.567 1.00 2.430 H ATOM 670 1HE MET A 45 -2.443 -8.613 3.123 1.00 2.430 H ATOM 671 2HE MET A 45 -2.957 -6.948 3.438 1.00 2.430 H ATOM 672 3HE MET A 45 -2.167 -7.370 1.907 1.00 2.430 H ATOM 673 N ASN A 46 0.792 -2.589 -0.686 1.00 1.510 N ATOM 674 CA ASN A 46 1.304 -2.452 -2.029 1.00 1.560 C ATOM 675 C ASN A 46 2.336 -1.349 -2.071 1.00 1.410 C ATOM 676 O ASN A 46 3.432 -1.542 -2.580 1.00 1.430 O ATOM 677 CB ASN A 46 0.132 -2.245 -2.965 1.00 2.160 C ATOM 678 CG ASN A 46 -0.785 -3.485 -2.915 1.00 2.160 C ATOM 679 OD1 ASN A 46 -0.331 -4.627 -2.963 1.00 2.160 O ATOM 680 ND2 ASN A 46 -2.055 -3.261 -2.770 1.00 2.160 N ATOM 681 H ASN A 46 0.178 -1.893 -0.299 1.00 1.810 H ATOM 682 HA ASN A 46 1.802 -3.378 -2.313 1.00 1.870 H ATOM 683 1HB ASN A 46 -0.441 -1.365 -2.666 1.00 2.600 H ATOM 684 2HB ASN A 46 0.484 -2.091 -3.986 1.00 2.600 H ATOM 685 1HD2 ASN A 46 -2.727 -4.019 -2.645 1.00 2.600 H ATOM 686 2HD2 ASN A 46 -2.421 -2.330 -2.696 1.00 2.600 H ATOM 687 N LYS A 47 2.063 -0.216 -1.424 1.00 1.310 N ATOM 688 CA LYS A 47 3.044 0.871 -1.441 1.00 1.240 C ATOM 689 C LYS A 47 4.358 0.406 -0.831 1.00 1.130 C ATOM 690 O LYS A 47 5.437 0.769 -1.299 1.00 1.110 O ATOM 691 CB LYS A 47 2.515 2.100 -0.706 1.00 1.760 C ATOM 692 CG LYS A 47 1.440 2.857 -1.472 1.00 1.760 C ATOM 693 CD LYS A 47 0.786 3.979 -0.641 1.00 1.760 C ATOM 694 CE LYS A 47 1.751 5.135 -0.330 1.00 1.760 C ATOM 695 NZ LYS A 47 1.044 6.280 0.321 1.00 1.760 N ATOM 696 H LYS A 47 1.169 -0.084 -0.983 1.00 1.570 H ATOM 697 HA LYS A 47 3.238 1.146 -2.481 1.00 1.490 H ATOM 698 1HB LYS A 47 2.093 1.802 0.248 1.00 2.120 H ATOM 699 2HB LYS A 47 3.344 2.773 -0.503 1.00 2.120 H ATOM 700 1HG LYS A 47 1.888 3.296 -2.368 1.00 2.120 H ATOM 701 2HG LYS A 47 0.669 2.158 -1.790 1.00 2.120 H ATOM 702 1HD LYS A 47 -0.074 4.373 -1.180 1.00 2.120 H ATOM 703 2HD LYS A 47 0.434 3.570 0.312 1.00 2.120 H ATOM 704 1HE LYS A 47 2.523 4.786 0.349 1.00 2.120 H ATOM 705 2HE LYS A 47 2.215 5.483 -1.253 1.00 2.120 H ATOM 706 1HZ LYS A 47 1.696 7.017 0.525 1.00 2.120 H ATOM 707 2HZ LYS A 47 0.326 6.629 -0.290 1.00 2.120 H ATOM 708 3HZ LYS A 47 0.605 5.962 1.199 1.00 2.120 H ATOM 709 N VAL A 48 4.250 -0.420 0.211 1.00 1.130 N ATOM 710 CA VAL A 48 5.388 -0.968 0.938 1.00 1.150 C ATOM 711 C VAL A 48 6.171 -1.957 0.082 1.00 1.220 C ATOM 712 O VAL A 48 7.320 -2.269 0.375 1.00 1.220 O ATOM 713 CB VAL A 48 4.914 -1.645 2.250 1.00 1.600 C ATOM 714 CG1 VAL A 48 4.227 -3.002 1.968 1.00 1.600 C ATOM 715 CG2 VAL A 48 6.092 -1.799 3.184 1.00 1.600 C ATOM 716 H VAL A 48 3.318 -0.677 0.504 1.00 1.360 H ATOM 717 HA VAL A 48 6.049 -0.142 1.202 1.00 1.380 H ATOM 718 HB VAL A 48 4.183 -1.019 2.710 1.00 1.920 H ATOM 719 1HG1 VAL A 48 3.870 -3.434 2.899 1.00 1.920 H ATOM 720 2HG1 VAL A 48 3.393 -2.845 1.309 1.00 1.920 H ATOM 721 3HG1 VAL A 48 4.923 -3.702 1.500 1.00 1.920 H ATOM 722 1HG2 VAL A 48 5.785 -2.229 4.113 1.00 1.920 H ATOM 723 2HG2 VAL A 48 6.840 -2.445 2.737 1.00 1.920 H ATOM 724 3HG2 VAL A 48 6.524 -0.816 3.375 1.00 1.920 H ATOM 725 N THR A 49 5.519 -2.503 -0.930 1.00 1.350 N ATOM 726 CA THR A 49 6.088 -3.485 -1.812 1.00 1.510 C ATOM 727 C THR A 49 6.846 -2.759 -2.909 1.00 1.450 C ATOM 728 O THR A 49 8.022 -3.045 -3.172 1.00 1.490 O ATOM 729 CB THR A 49 4.973 -4.382 -2.364 1.00 2.050 C ATOM 730 OG1 THR A 49 4.288 -4.997 -1.245 1.00 2.050 O ATOM 731 CG2 THR A 49 5.604 -5.456 -3.193 1.00 2.050 C ATOM 732 H THR A 49 4.589 -2.180 -1.153 1.00 1.620 H ATOM 733 HA THR A 49 6.788 -4.098 -1.267 1.00 1.810 H ATOM 734 HB THR A 49 4.275 -3.810 -2.954 1.00 2.460 H ATOM 735 HG1 THR A 49 3.302 -4.856 -1.261 1.00 2.460 H ATOM 736 1HG2 THR A 49 4.860 -6.119 -3.563 1.00 2.460 H ATOM 737 2HG2 THR A 49 6.138 -5.017 -4.031 1.00 2.460 H ATOM 738 3HG2 THR A 49 6.291 -6.009 -2.570 1.00 2.460 H ATOM 739 N GLU A 50 6.203 -1.753 -3.502 1.00 1.400 N ATOM 740 CA GLU A 50 6.859 -0.977 -4.539 1.00 1.450 C ATOM 741 C GLU A 50 8.086 -0.310 -3.935 1.00 1.250 C ATOM 742 O GLU A 50 9.139 -0.250 -4.563 1.00 1.310 O ATOM 743 CB GLU A 50 5.947 0.081 -5.147 1.00 2.010 C ATOM 744 CG GLU A 50 4.808 -0.438 -6.006 1.00 2.010 C ATOM 745 CD GLU A 50 4.001 0.688 -6.613 1.00 2.010 C ATOM 746 OE1 GLU A 50 4.360 1.836 -6.407 1.00 2.010 O ATOM 747 OE2 GLU A 50 3.045 0.413 -7.294 1.00 2.010 O ATOM 748 H GLU A 50 5.235 -1.556 -3.234 1.00 1.680 H ATOM 749 HA GLU A 50 7.184 -1.651 -5.332 1.00 1.740 H ATOM 750 1HB GLU A 50 5.510 0.683 -4.343 1.00 2.410 H ATOM 751 2HB GLU A 50 6.540 0.734 -5.754 1.00 2.410 H ATOM 752 1HG GLU A 50 5.218 -1.056 -6.804 1.00 2.410 H ATOM 753 2HG GLU A 50 4.159 -1.064 -5.390 1.00 2.410 H ATOM 754 N LYS A 51 7.979 0.080 -2.659 1.00 1.120 N ATOM 755 CA LYS A 51 9.052 0.710 -1.914 1.00 1.120 C ATOM 756 C LYS A 51 10.361 -0.075 -1.981 1.00 1.170 C ATOM 757 O LYS A 51 11.413 0.554 -1.921 1.00 1.260 O ATOM 758 CB LYS A 51 8.647 0.953 -0.453 1.00 1.570 C ATOM 759 CG LYS A 51 9.658 1.809 0.356 1.00 1.570 C ATOM 760 CD LYS A 51 9.123 2.231 1.768 1.00 1.570 C ATOM 761 CE LYS A 51 8.014 3.307 1.715 1.00 1.570 C ATOM 762 NZ LYS A 51 8.506 4.619 1.187 1.00 1.570 N ATOM 763 H LYS A 51 7.064 0.015 -2.208 1.00 1.340 H ATOM 764 HA LYS A 51 9.238 1.683 -2.365 1.00 1.340 H ATOM 765 1HB LYS A 51 7.679 1.421 -0.434 1.00 1.880 H ATOM 766 2HB LYS A 51 8.555 -0.007 0.053 1.00 1.880 H ATOM 767 1HG LYS A 51 10.572 1.226 0.501 1.00 1.880 H ATOM 768 2HG LYS A 51 9.917 2.692 -0.221 1.00 1.880 H ATOM 769 1HD LYS A 51 8.697 1.362 2.263 1.00 1.880 H ATOM 770 2HD LYS A 51 9.953 2.598 2.376 1.00 1.880 H ATOM 771 1HE LYS A 51 7.194 2.963 1.095 1.00 1.880 H ATOM 772 2HE LYS A 51 7.643 3.462 2.728 1.00 1.880 H ATOM 773 1HZ LYS A 51 7.746 5.286 1.188 1.00 1.880 H ATOM 774 2HZ LYS A 51 9.253 4.963 1.772 1.00 1.880 H ATOM 775 3HZ LYS A 51 8.842 4.502 0.243 1.00 1.880 H ATOM 776 N THR A 52 10.339 -1.424 -2.003 1.00 1.240 N ATOM 777 CA THR A 52 11.615 -2.129 -2.090 1.00 1.440 C ATOM 778 C THR A 52 12.076 -2.217 -3.534 1.00 1.480 C ATOM 779 O THR A 52 13.238 -1.946 -3.855 1.00 1.600 O ATOM 780 CB THR A 52 11.579 -3.567 -1.520 1.00 1.940 C ATOM 781 OG1 THR A 52 12.633 -4.291 -2.095 1.00 1.940 O ATOM 782 CG2 THR A 52 10.258 -4.290 -1.775 1.00 1.940 C ATOM 783 H THR A 52 9.467 -1.950 -2.064 1.00 1.490 H ATOM 784 HA THR A 52 12.356 -1.576 -1.522 1.00 1.730 H ATOM 785 HB THR A 52 11.781 -3.516 -0.487 1.00 2.320 H ATOM 786 HG1 THR A 52 12.770 -5.108 -1.612 1.00 2.320 H ATOM 787 1HG2 THR A 52 10.291 -5.288 -1.370 1.00 2.320 H ATOM 788 2HG2 THR A 52 9.450 -3.746 -1.296 1.00 2.320 H ATOM 789 3HG2 THR A 52 10.076 -4.360 -2.833 1.00 2.320 H ATOM 790 N HIS A 53 11.153 -2.474 -4.456 1.00 1.470 N ATOM 791 CA HIS A 53 11.567 -2.645 -5.843 1.00 1.580 C ATOM 792 C HIS A 53 12.184 -1.346 -6.359 1.00 1.410 C ATOM 793 O HIS A 53 13.281 -1.326 -6.933 1.00 1.460 O ATOM 794 CB HIS A 53 10.396 -3.087 -6.719 1.00 2.170 C ATOM 795 CG HIS A 53 10.810 -3.420 -8.118 1.00 2.170 C ATOM 796 ND1 HIS A 53 11.587 -4.522 -8.408 1.00 2.170 N ATOM 797 CD2 HIS A 53 10.548 -2.822 -9.300 1.00 2.170 C ATOM 798 CE1 HIS A 53 11.798 -4.583 -9.704 1.00 2.170 C ATOM 799 NE2 HIS A 53 11.161 -3.570 -10.282 1.00 2.170 N ATOM 800 H HIS A 53 10.180 -2.625 -4.165 1.00 1.760 H ATOM 801 HA HIS A 53 12.330 -3.417 -5.902 1.00 1.900 H ATOM 802 1HB HIS A 53 9.925 -3.966 -6.276 1.00 2.600 H ATOM 803 2HB HIS A 53 9.645 -2.294 -6.751 1.00 2.600 H ATOM 804 HD1 HIS A 53 11.654 -5.339 -7.824 1.00 2.600 H ATOM 805 HD2 HIS A 53 9.971 -1.937 -9.563 1.00 2.600 H ATOM 806 HE1 HIS A 53 12.398 -5.391 -10.118 1.00 2.600 H ATOM 807 N ARG A 54 11.509 -0.237 -6.069 1.00 1.300 N ATOM 808 CA ARG A 54 11.894 1.108 -6.468 1.00 1.320 C ATOM 809 C ARG A 54 13.245 1.581 -5.925 1.00 1.310 C ATOM 810 O ARG A 54 13.715 2.641 -6.336 1.00 1.410 O ATOM 811 CB ARG A 54 10.832 2.122 -6.050 1.00 1.840 C ATOM 812 CG ARG A 54 9.506 2.056 -6.831 1.00 1.840 C ATOM 813 CD ARG A 54 8.530 3.100 -6.378 1.00 1.840 C ATOM 814 NE ARG A 54 7.225 2.982 -7.059 1.00 1.840 N ATOM 815 CZ ARG A 54 6.924 3.450 -8.288 1.00 1.840 C ATOM 816 NH1 ARG A 54 7.821 4.071 -9.036 1.00 1.840 N ATOM 817 NH2 ARG A 54 5.697 3.266 -8.725 1.00 1.840 N ATOM 818 H ARG A 54 10.628 -0.344 -5.567 1.00 1.560 H ATOM 819 HA ARG A 54 11.951 1.120 -7.557 1.00 1.580 H ATOM 820 1HB ARG A 54 10.603 1.977 -4.992 1.00 2.210 H ATOM 821 2HB ARG A 54 11.230 3.129 -6.161 1.00 2.210 H ATOM 822 1HG ARG A 54 9.714 2.209 -7.885 1.00 2.210 H ATOM 823 2HG ARG A 54 9.045 1.079 -6.700 1.00 2.210 H ATOM 824 1HD ARG A 54 8.357 2.969 -5.306 1.00 2.210 H ATOM 825 2HD ARG A 54 8.932 4.093 -6.557 1.00 2.210 H ATOM 826 HE ARG A 54 6.442 2.516 -6.557 1.00 2.210 H ATOM 827 1HH1 ARG A 54 8.759 4.211 -8.696 1.00 2.210 H ATOM 828 2HH1 ARG A 54 7.567 4.410 -9.954 1.00 2.210 H ATOM 829 1HH2 ARG A 54 5.021 2.783 -8.103 1.00 2.210 H ATOM 830 2HH2 ARG A 54 5.415 3.592 -9.634 1.00 2.210 H ATOM 831 N VAL A 55 13.826 0.876 -4.948 1.00 1.340 N ATOM 832 CA VAL A 55 15.116 1.293 -4.417 1.00 1.560 C ATOM 833 C VAL A 55 16.211 0.265 -4.752 1.00 1.620 C ATOM 834 O VAL A 55 17.325 0.658 -5.114 1.00 1.800 O ATOM 835 CB VAL A 55 15.018 1.601 -2.906 1.00 2.100 C ATOM 836 CG1 VAL A 55 14.023 2.709 -2.695 1.00 2.100 C ATOM 837 CG2 VAL A 55 14.622 0.401 -2.104 1.00 2.100 C ATOM 838 H VAL A 55 13.407 0.002 -4.632 1.00 1.610 H ATOM 839 HA VAL A 55 15.396 2.229 -4.896 1.00 1.870 H ATOM 840 HB VAL A 55 15.945 1.963 -2.584 1.00 2.520 H ATOM 841 1HG1 VAL A 55 13.981 2.960 -1.636 1.00 2.520 H ATOM 842 2HG1 VAL A 55 14.330 3.582 -3.267 1.00 2.520 H ATOM 843 3HG1 VAL A 55 13.036 2.380 -3.028 1.00 2.520 H ATOM 844 1HG2 VAL A 55 14.552 0.681 -1.057 1.00 2.520 H ATOM 845 2HG2 VAL A 55 13.674 0.073 -2.446 1.00 2.520 H ATOM 846 3HG2 VAL A 55 15.333 -0.396 -2.205 1.00 2.520 H ATOM 847 N LEU A 56 15.907 -1.038 -4.635 1.00 1.610 N ATOM 848 CA LEU A 56 16.895 -2.070 -4.932 1.00 1.830 C ATOM 849 C LEU A 56 17.207 -2.058 -6.431 1.00 1.700 C ATOM 850 O LEU A 56 18.351 -2.293 -6.835 1.00 1.890 O ATOM 851 CB LEU A 56 16.391 -3.449 -4.482 1.00 2.470 C ATOM 852 CG LEU A 56 16.241 -3.677 -2.952 1.00 2.470 C ATOM 853 CD1 LEU A 56 15.570 -5.007 -2.724 1.00 2.470 C ATOM 854 CD2 LEU A 56 17.602 -3.685 -2.254 1.00 2.470 C ATOM 855 H LEU A 56 14.971 -1.321 -4.332 1.00 1.930 H ATOM 856 HA LEU A 56 17.813 -1.835 -4.404 1.00 2.200 H ATOM 857 1HB LEU A 56 15.420 -3.627 -4.944 1.00 2.970 H ATOM 858 2HB LEU A 56 17.072 -4.183 -4.827 1.00 2.970 H ATOM 859 HG LEU A 56 15.604 -2.890 -2.540 1.00 2.970 H ATOM 860 1HD1 LEU A 56 15.427 -5.161 -1.659 1.00 2.970 H ATOM 861 2HD1 LEU A 56 14.611 -5.018 -3.225 1.00 2.970 H ATOM 862 3HD1 LEU A 56 16.182 -5.804 -3.119 1.00 2.970 H ATOM 863 1HD2 LEU A 56 17.460 -3.857 -1.188 1.00 2.970 H ATOM 864 2HD2 LEU A 56 18.195 -4.482 -2.668 1.00 2.970 H ATOM 865 3HD2 LEU A 56 18.116 -2.746 -2.395 1.00 2.970 H ATOM 866 N ARG A 57 16.196 -1.781 -7.270 1.00 1.470 N ATOM 867 CA ARG A 57 16.411 -1.685 -8.701 1.00 1.450 C ATOM 868 C ARG A 57 17.338 -0.518 -9.010 1.00 1.480 C ATOM 869 O ARG A 57 18.138 -0.589 -9.939 1.00 1.610 O ATOM 870 CB ARG A 57 15.087 -1.573 -9.439 1.00 2.040 C ATOM 871 CG ARG A 57 15.177 -1.566 -10.951 1.00 2.040 C ATOM 872 CD ARG A 57 13.870 -1.888 -11.540 1.00 2.040 C ATOM 873 NE ARG A 57 13.903 -1.935 -12.990 1.00 2.040 N ATOM 874 CZ ARG A 57 12.950 -2.498 -13.784 1.00 2.040 C ATOM 875 NH1 ARG A 57 11.872 -3.087 -13.270 1.00 2.040 N ATOM 876 NH2 ARG A 57 13.105 -2.463 -15.103 1.00 2.040 N ATOM 877 H ARG A 57 15.244 -1.643 -6.919 1.00 1.760 H ATOM 878 HA ARG A 57 16.899 -2.598 -9.033 1.00 1.740 H ATOM 879 1HB ARG A 57 14.435 -2.396 -9.143 1.00 2.450 H ATOM 880 2HB ARG A 57 14.592 -0.648 -9.139 1.00 2.450 H ATOM 881 1HG ARG A 57 15.458 -0.571 -11.281 1.00 2.450 H ATOM 882 2HG ARG A 57 15.909 -2.274 -11.299 1.00 2.450 H ATOM 883 1HD ARG A 57 13.592 -2.863 -11.187 1.00 2.450 H ATOM 884 2HD ARG A 57 13.127 -1.156 -11.229 1.00 2.450 H ATOM 885 HE ARG A 57 14.697 -1.513 -13.451 1.00 2.450 H ATOM 886 1HH1 ARG A 57 11.716 -3.146 -12.253 1.00 2.450 H ATOM 887 2HH1 ARG A 57 11.187 -3.503 -13.887 1.00 2.450 H ATOM 888 1HH2 ARG A 57 13.920 -2.020 -15.506 1.00 2.450 H ATOM 889 2HH2 ARG A 57 12.411 -2.878 -15.709 1.00 2.450 H ATOM 890 N VAL A 58 17.223 0.571 -8.252 1.00 1.550 N ATOM 891 CA VAL A 58 18.074 1.729 -8.463 1.00 1.850 C ATOM 892 C VAL A 58 19.510 1.348 -8.157 1.00 2.050 C ATOM 893 O VAL A 58 20.416 1.693 -8.917 1.00 2.270 O ATOM 894 CB VAL A 58 17.619 2.931 -7.632 1.00 2.470 C ATOM 895 CG1 VAL A 58 18.640 4.063 -7.744 1.00 2.470 C ATOM 896 CG2 VAL A 58 16.258 3.369 -8.144 1.00 2.470 C ATOM 897 H VAL A 58 16.548 0.577 -7.498 1.00 1.860 H ATOM 898 HA VAL A 58 18.012 2.013 -9.510 1.00 2.220 H ATOM 899 HB VAL A 58 17.547 2.650 -6.587 1.00 2.960 H ATOM 900 1HG1 VAL A 58 18.296 4.909 -7.152 1.00 2.960 H ATOM 901 2HG1 VAL A 58 19.610 3.738 -7.367 1.00 2.960 H ATOM 902 3HG1 VAL A 58 18.737 4.357 -8.788 1.00 2.960 H ATOM 903 1HG2 VAL A 58 15.899 4.219 -7.562 1.00 2.960 H ATOM 904 2HG2 VAL A 58 16.337 3.653 -9.192 1.00 2.960 H ATOM 905 3HG2 VAL A 58 15.551 2.548 -8.049 1.00 2.960 H ATOM 906 N MET A 59 19.716 0.612 -7.052 1.00 2.150 N ATOM 907 CA MET A 59 21.054 0.153 -6.713 1.00 2.600 C ATOM 908 C MET A 59 21.642 -0.556 -7.924 1.00 2.610 C ATOM 909 O MET A 59 22.794 -0.308 -8.301 1.00 2.830 O ATOM 910 CB MET A 59 21.030 -0.886 -5.582 1.00 3.460 C ATOM 911 CG MET A 59 22.417 -1.385 -5.175 1.00 3.460 C ATOM 912 SD MET A 59 23.140 -2.695 -6.284 1.00 3.460 S ATOM 913 CE MET A 59 22.215 -4.148 -6.048 1.00 3.460 C ATOM 914 H MET A 59 18.924 0.412 -6.432 1.00 2.580 H ATOM 915 HA MET A 59 21.679 1.007 -6.454 1.00 3.120 H ATOM 916 1HB MET A 59 20.543 -0.456 -4.706 1.00 4.150 H ATOM 917 2HB MET A 59 20.455 -1.738 -5.879 1.00 4.150 H ATOM 918 1HG MET A 59 23.060 -0.546 -5.191 1.00 4.150 H ATOM 919 2HG MET A 59 22.396 -1.771 -4.159 1.00 4.150 H ATOM 920 1HE MET A 59 22.601 -4.931 -6.697 1.00 4.150 H ATOM 921 2HE MET A 59 22.315 -4.448 -5.041 1.00 4.150 H ATOM 922 3HE MET A 59 21.168 -3.966 -6.284 1.00 4.150 H ATOM 923 N GLU A 60 20.862 -1.481 -8.521 1.00 2.620 N ATOM 924 CA GLU A 60 21.354 -2.235 -9.670 1.00 2.830 C ATOM 925 C GLU A 60 21.693 -1.313 -10.844 1.00 2.740 C ATOM 926 O GLU A 60 22.783 -1.404 -11.406 1.00 3.190 O ATOM 927 CB GLU A 60 20.326 -3.305 -10.075 1.00 3.880 C ATOM 928 CG GLU A 60 20.820 -4.385 -11.077 1.00 3.880 C ATOM 929 CD GLU A 60 20.693 -4.017 -12.549 1.00 3.880 C ATOM 930 OE1 GLU A 60 19.814 -3.264 -12.878 1.00 3.880 O ATOM 931 OE2 GLU A 60 21.486 -4.485 -13.344 1.00 3.880 O ATOM 932 H GLU A 60 19.933 -1.678 -8.129 1.00 3.140 H ATOM 933 HA GLU A 60 22.269 -2.745 -9.369 1.00 3.400 H ATOM 934 1HB GLU A 60 19.970 -3.813 -9.179 1.00 4.650 H ATOM 935 2HB GLU A 60 19.461 -2.814 -10.521 1.00 4.650 H ATOM 936 1HG GLU A 60 21.866 -4.596 -10.861 1.00 4.650 H ATOM 937 2HG GLU A 60 20.252 -5.292 -10.894 1.00 4.650 H ATOM 938 N ILE A 61 20.840 -0.318 -11.115 1.00 2.400 N ATOM 939 CA ILE A 61 21.053 0.608 -12.231 1.00 2.670 C ATOM 940 C ILE A 61 22.354 1.381 -12.062 1.00 2.650 C ATOM 941 O ILE A 61 23.113 1.555 -13.020 1.00 3.010 O ATOM 942 CB ILE A 61 19.865 1.602 -12.360 1.00 3.630 C ATOM 943 CG1 ILE A 61 18.604 0.824 -12.843 1.00 3.630 C ATOM 944 CG2 ILE A 61 20.223 2.759 -13.330 1.00 3.630 C ATOM 945 CD1 ILE A 61 17.279 1.582 -12.709 1.00 3.630 C ATOM 946 H ILE A 61 19.960 -0.293 -10.593 1.00 2.880 H ATOM 947 HA ILE A 61 21.112 0.030 -13.145 1.00 3.200 H ATOM 948 HB ILE A 61 19.636 2.016 -11.383 1.00 4.360 H ATOM 949 1HG1 ILE A 61 18.743 0.566 -13.889 1.00 4.360 H ATOM 950 2HG1 ILE A 61 18.532 -0.101 -12.279 1.00 4.360 H ATOM 951 1HG2 ILE A 61 19.393 3.449 -13.408 1.00 4.360 H ATOM 952 2HG2 ILE A 61 21.089 3.309 -12.967 1.00 4.360 H ATOM 953 3HG2 ILE A 61 20.449 2.350 -14.317 1.00 4.360 H ATOM 954 1HD1 ILE A 61 16.471 0.950 -13.073 1.00 4.360 H ATOM 955 2HD1 ILE A 61 17.100 1.825 -11.665 1.00 4.360 H ATOM 956 3HD1 ILE A 61 17.302 2.495 -13.291 1.00 4.360 H ATOM 957 N LYS A 62 22.604 1.848 -10.849 1.00 2.760 N ATOM 958 CA LYS A 62 23.798 2.609 -10.512 1.00 3.110 C ATOM 959 C LYS A 62 24.999 1.733 -10.131 1.00 2.910 C ATOM 960 O LYS A 62 26.049 2.259 -9.754 1.00 3.270 O ATOM 961 CB LYS A 62 23.493 3.547 -9.341 1.00 4.210 C ATOM 962 CG LYS A 62 22.480 4.646 -9.635 1.00 4.210 C ATOM 963 CD LYS A 62 22.278 5.538 -8.411 1.00 4.210 C ATOM 964 CE LYS A 62 21.293 6.672 -8.686 1.00 4.210 C ATOM 965 NZ LYS A 62 21.089 7.539 -7.484 1.00 4.210 N ATOM 966 H LYS A 62 21.893 1.688 -10.125 1.00 3.310 H ATOM 967 HA LYS A 62 24.080 3.199 -11.383 1.00 3.730 H ATOM 968 1HB LYS A 62 23.096 2.950 -8.512 1.00 5.060 H ATOM 969 2HB LYS A 62 24.413 4.013 -8.997 1.00 5.060 H ATOM 970 1HG LYS A 62 22.821 5.245 -10.478 1.00 5.060 H ATOM 971 2HG LYS A 62 21.526 4.183 -9.901 1.00 5.060 H ATOM 972 1HD LYS A 62 21.897 4.930 -7.588 1.00 5.060 H ATOM 973 2HD LYS A 62 23.235 5.963 -8.110 1.00 5.060 H ATOM 974 1HE LYS A 62 21.674 7.283 -9.502 1.00 5.060 H ATOM 975 2HE LYS A 62 20.337 6.249 -8.981 1.00 5.060 H ATOM 976 1HZ LYS A 62 20.433 8.275 -7.708 1.00 5.060 H ATOM 977 2HZ LYS A 62 20.726 6.989 -6.717 1.00 5.060 H ATOM 978 3HZ LYS A 62 21.971 7.949 -7.210 1.00 5.060 H ATOM 979 N GLU A 63 24.821 0.407 -10.150 1.00 2.930 N ATOM 980 CA GLU A 63 25.816 -0.582 -9.753 1.00 3.360 C ATOM 981 C GLU A 63 26.399 -0.294 -8.369 1.00 3.110 C ATOM 982 O GLU A 63 27.583 -0.545 -8.109 1.00 3.540 O ATOM 983 CB GLU A 63 26.948 -0.667 -10.793 1.00 4.530 C ATOM 984 CG GLU A 63 26.491 -1.099 -12.193 1.00 4.530 C ATOM 985 CD GLU A 63 27.637 -1.288 -13.184 1.00 4.530 C ATOM 986 OE1 GLU A 63 28.727 -0.848 -12.907 1.00 4.530 O ATOM 987 OE2 GLU A 63 27.414 -1.891 -14.210 1.00 4.530 O ATOM 988 H GLU A 63 23.942 0.032 -10.511 1.00 3.520 H ATOM 989 HA GLU A 63 25.315 -1.551 -9.711 1.00 4.030 H ATOM 990 1HB GLU A 63 27.436 0.302 -10.883 1.00 5.440 H ATOM 991 2HB GLU A 63 27.697 -1.381 -10.454 1.00 5.440 H ATOM 992 1HG GLU A 63 25.936 -2.033 -12.106 1.00 5.440 H ATOM 993 2HG GLU A 63 25.803 -0.343 -12.578 1.00 5.440 H ATOM 994 N ALA A 64 25.564 0.162 -7.437 1.00 2.850 N ATOM 995 CA ALA A 64 26.036 0.473 -6.096 1.00 3.080 C ATOM 996 C ALA A 64 25.963 -0.780 -5.255 1.00 2.520 C ATOM 997 O ALA A 64 25.256 -0.843 -4.256 1.00 2.430 O ATOM 998 CB ALA A 64 25.219 1.609 -5.498 1.00 4.220 C ATOM 999 H ALA A 64 24.573 0.260 -7.681 1.00 3.420 H ATOM 1000 HA ALA A 64 27.078 0.782 -6.154 1.00 3.700 H ATOM 1001 1HB ALA A 64 25.594 1.836 -4.502 1.00 5.060 H ATOM 1002 2HB ALA A 64 25.317 2.488 -6.137 1.00 5.060 H ATOM 1003 3HB ALA A 64 24.182 1.332 -5.439 1.00 5.060 H ATOM 1004 N VAL A 65 26.744 -1.766 -5.635 1.00 2.540 N ATOM 1005 CA VAL A 65 26.660 -3.088 -5.034 1.00 2.450 C ATOM 1006 C VAL A 65 26.961 -3.074 -3.552 1.00 2.280 C ATOM 1007 O VAL A 65 26.305 -3.766 -2.773 1.00 2.230 O ATOM 1008 CB VAL A 65 27.552 -4.079 -5.791 1.00 3.470 C ATOM 1009 CG1 VAL A 65 27.612 -5.421 -5.044 1.00 3.470 C ATOM 1010 CG2 VAL A 65 26.968 -4.261 -7.202 1.00 3.470 C ATOM 1011 H VAL A 65 27.346 -1.566 -6.438 1.00 3.050 H ATOM 1012 HA VAL A 65 25.641 -3.444 -5.150 1.00 2.940 H ATOM 1013 HB VAL A 65 28.566 -3.687 -5.859 1.00 4.160 H ATOM 1014 1HG1 VAL A 65 28.239 -6.115 -5.601 1.00 4.160 H ATOM 1015 2HG1 VAL A 65 28.031 -5.293 -4.048 1.00 4.160 H ATOM 1016 3HG1 VAL A 65 26.603 -5.832 -4.959 1.00 4.160 H ATOM 1017 1HG2 VAL A 65 27.586 -4.959 -7.767 1.00 4.160 H ATOM 1018 2HG2 VAL A 65 25.953 -4.653 -7.124 1.00 4.160 H ATOM 1019 3HG2 VAL A 65 26.943 -3.302 -7.718 1.00 4.160 H ATOM 1020 N SER A 66 27.957 -2.302 -3.151 1.00 2.370 N ATOM 1021 CA SER A 66 28.366 -2.215 -1.756 1.00 2.410 C ATOM 1022 C SER A 66 27.278 -1.618 -0.858 1.00 2.200 C ATOM 1023 O SER A 66 27.332 -1.757 0.369 1.00 2.270 O ATOM 1024 CB SER A 66 29.632 -1.386 -1.642 1.00 3.360 C ATOM 1025 OG SER A 66 29.389 -0.038 -1.947 1.00 3.360 O ATOM 1026 H SER A 66 28.442 -1.741 -3.836 1.00 2.840 H ATOM 1027 HA SER A 66 28.581 -3.224 -1.402 1.00 2.890 H ATOM 1028 1HB SER A 66 30.031 -1.467 -0.631 1.00 4.030 H ATOM 1029 2HB SER A 66 30.383 -1.785 -2.322 1.00 4.030 H ATOM 1030 HG SER A 66 30.249 0.392 -1.968 1.00 4.030 H ATOM 1031 N SER A 67 26.288 -0.945 -1.456 1.00 2.070 N ATOM 1032 CA SER A 67 25.216 -0.318 -0.714 1.00 1.980 C ATOM 1033 C SER A 67 24.033 -1.256 -0.538 1.00 1.700 C ATOM 1034 O SER A 67 23.107 -0.945 0.204 1.00 1.600 O ATOM 1035 CB SER A 67 24.734 0.939 -1.426 1.00 2.810 C ATOM 1036 OG SER A 67 25.751 1.906 -1.525 1.00 2.810 O ATOM 1037 H SER A 67 26.247 -0.876 -2.472 1.00 2.480 H ATOM 1038 HA SER A 67 25.591 -0.043 0.271 1.00 2.380 H ATOM 1039 1HB SER A 67 24.378 0.676 -2.421 1.00 3.370 H ATOM 1040 2HB SER A 67 23.889 1.354 -0.881 1.00 3.370 H ATOM 1041 HG SER A 67 25.336 2.688 -1.888 1.00 3.370 H ATOM 1042 N LEU A 68 24.074 -2.437 -1.155 1.00 1.660 N ATOM 1043 CA LEU A 68 22.935 -3.343 -1.132 1.00 1.480 C ATOM 1044 C LEU A 68 22.333 -3.701 0.243 1.00 1.300 C ATOM 1045 O LEU A 68 21.091 -3.698 0.347 1.00 1.180 O ATOM 1046 CB LEU A 68 23.277 -4.590 -1.953 1.00 2.140 C ATOM 1047 CG LEU A 68 22.248 -5.708 -1.974 1.00 2.140 C ATOM 1048 CD1 LEU A 68 20.893 -5.226 -2.472 1.00 2.140 C ATOM 1049 CD2 LEU A 68 22.790 -6.803 -2.906 1.00 2.140 C ATOM 1050 H LEU A 68 24.897 -2.698 -1.708 1.00 1.990 H ATOM 1051 HA LEU A 68 22.150 -2.836 -1.690 1.00 1.780 H ATOM 1052 1HB LEU A 68 23.440 -4.269 -2.980 1.00 2.570 H ATOM 1053 2HB LEU A 68 24.215 -5.005 -1.605 1.00 2.570 H ATOM 1054 HG LEU A 68 22.118 -6.098 -0.980 1.00 2.570 H ATOM 1055 1HD1 LEU A 68 20.216 -6.059 -2.463 1.00 2.570 H ATOM 1056 2HD1 LEU A 68 20.493 -4.467 -1.832 1.00 2.570 H ATOM 1057 3HD1 LEU A 68 20.956 -4.833 -3.454 1.00 2.570 H ATOM 1058 1HD2 LEU A 68 22.093 -7.622 -2.954 1.00 2.570 H ATOM 1059 2HD2 LEU A 68 22.925 -6.400 -3.904 1.00 2.570 H ATOM 1060 3HD2 LEU A 68 23.748 -7.156 -2.528 1.00 2.570 H ATOM 1061 N PRO A 69 23.115 -3.931 1.336 1.00 1.370 N ATOM 1062 CA PRO A 69 22.608 -4.255 2.666 1.00 1.350 C ATOM 1063 C PRO A 69 21.516 -3.271 3.077 1.00 1.320 C ATOM 1064 O PRO A 69 20.649 -3.617 3.876 1.00 1.300 O ATOM 1065 CB PRO A 69 23.863 -4.174 3.536 1.00 2.030 C ATOM 1066 CG PRO A 69 24.990 -4.554 2.588 1.00 2.030 C ATOM 1067 CD PRO A 69 24.612 -3.925 1.270 1.00 2.030 C ATOM 1068 HA PRO A 69 22.215 -5.279 2.656 1.00 1.620 H ATOM 1069 1HB PRO A 69 23.976 -3.156 3.942 1.00 2.430 H ATOM 1070 2HB PRO A 69 23.773 -4.855 4.397 1.00 2.430 H ATOM 1071 1HG PRO A 69 25.955 -4.179 2.969 1.00 2.430 H ATOM 1072 2HG PRO A 69 25.079 -5.647 2.521 1.00 2.430 H ATOM 1073 1HD PRO A 69 25.026 -2.917 1.283 1.00 2.430 H ATOM 1074 2HD PRO A 69 24.996 -4.524 0.442 1.00 2.430 H ATOM 1075 N SER A 70 21.593 -2.050 2.551 1.00 1.410 N ATOM 1076 CA SER A 70 20.683 -0.937 2.729 1.00 1.500 C ATOM 1077 C SER A 70 20.574 -0.414 1.303 1.00 1.340 C ATOM 1078 O SER A 70 20.769 0.804 1.199 1.00 1.400 O ATOM 1079 CB SER A 70 21.237 0.122 3.637 1.00 2.060 C ATOM 1080 OG SER A 70 20.315 1.160 3.748 1.00 2.060 O ATOM 1081 H SER A 70 22.342 -1.843 1.883 1.00 1.690 H ATOM 1082 HA SER A 70 19.732 -1.286 3.109 1.00 1.800 H ATOM 1083 1HB SER A 70 21.434 -0.306 4.618 1.00 2.480 H ATOM 1084 2HB SER A 70 22.179 0.498 3.239 1.00 2.480 H ATOM 1085 HG SER A 70 20.361 1.615 2.875 1.00 2.480 H ATOM 1086 N TYR A 71 19.599 -0.977 0.566 1.00 1.250 N ATOM 1087 CA TYR A 71 18.225 -0.974 1.068 1.00 1.230 C ATOM 1088 C TYR A 71 17.557 -2.227 1.652 1.00 1.010 C ATOM 1089 O TYR A 71 16.371 -2.147 1.997 1.00 1.000 O ATOM 1090 CB TYR A 71 17.328 -0.524 -0.067 1.00 1.730 C ATOM 1091 CG TYR A 71 17.684 0.791 -0.626 1.00 1.730 C ATOM 1092 CD1 TYR A 71 17.292 1.969 -0.013 1.00 1.730 C ATOM 1093 CD2 TYR A 71 18.424 0.816 -1.799 1.00 1.730 C ATOM 1094 CE1 TYR A 71 17.633 3.176 -0.580 1.00 1.730 C ATOM 1095 CE2 TYR A 71 18.770 2.011 -2.362 1.00 1.730 C ATOM 1096 CZ TYR A 71 18.380 3.191 -1.767 1.00 1.730 C ATOM 1097 OH TYR A 71 18.730 4.383 -2.354 1.00 1.730 O ATOM 1098 H TYR A 71 19.922 -1.869 0.186 1.00 1.500 H ATOM 1099 HA TYR A 71 18.197 -0.210 1.838 1.00 1.480 H ATOM 1100 1HB TYR A 71 17.351 -1.243 -0.861 1.00 2.080 H ATOM 1101 2HB TYR A 71 16.302 -0.468 0.290 1.00 2.080 H ATOM 1102 HD1 TYR A 71 16.714 1.945 0.901 1.00 2.080 H ATOM 1103 HD2 TYR A 71 18.727 -0.115 -2.275 1.00 2.080 H ATOM 1104 HE1 TYR A 71 17.323 4.106 -0.109 1.00 2.080 H ATOM 1105 HE2 TYR A 71 19.347 2.028 -3.286 1.00 2.080 H ATOM 1106 HH TYR A 71 18.269 5.103 -1.916 1.00 2.080 H ATOM 1107 N TRP A 72 18.231 -3.368 1.805 1.00 0.970 N ATOM 1108 CA TRP A 72 17.474 -4.467 2.420 1.00 0.980 C ATOM 1109 C TRP A 72 17.047 -4.090 3.856 1.00 0.960 C ATOM 1110 O TRP A 72 15.881 -4.268 4.237 1.00 1.000 O ATOM 1111 CB TRP A 72 18.302 -5.753 2.428 1.00 1.370 C ATOM 1112 CG TRP A 72 18.334 -6.536 1.122 1.00 1.370 C ATOM 1113 CD1 TRP A 72 17.356 -6.659 0.165 1.00 1.370 C ATOM 1114 CD2 TRP A 72 19.446 -7.316 0.648 1.00 1.370 C ATOM 1115 NE1 TRP A 72 17.794 -7.473 -0.854 1.00 1.370 N ATOM 1116 CE2 TRP A 72 19.069 -7.878 -0.571 1.00 1.370 C ATOM 1117 CE3 TRP A 72 20.715 -7.585 1.159 1.00 1.370 C ATOM 1118 CZ2 TRP A 72 19.918 -8.699 -1.282 1.00 1.370 C ATOM 1119 CZ3 TRP A 72 21.556 -8.416 0.448 1.00 1.370 C ATOM 1120 CH2 TRP A 72 21.163 -8.962 -0.738 1.00 1.370 C ATOM 1121 H TRP A 72 19.203 -3.497 1.495 1.00 1.160 H ATOM 1122 HA TRP A 72 16.572 -4.634 1.837 1.00 1.180 H ATOM 1123 1HB TRP A 72 19.327 -5.505 2.687 1.00 1.640 H ATOM 1124 2HB TRP A 72 17.927 -6.411 3.204 1.00 1.640 H ATOM 1125 HD1 TRP A 72 16.375 -6.199 0.205 1.00 1.640 H ATOM 1126 HE1 TRP A 72 17.260 -7.749 -1.684 1.00 1.640 H ATOM 1127 HE3 TRP A 72 21.031 -7.159 2.102 1.00 1.640 H ATOM 1128 HZ2 TRP A 72 19.634 -9.137 -2.234 1.00 1.640 H ATOM 1129 HZ3 TRP A 72 22.542 -8.625 0.858 1.00 1.640 H ATOM 1130 HH2 TRP A 72 21.849 -9.611 -1.273 1.00 1.640 H ATOM 1131 N SER A 73 17.990 -3.514 4.616 1.00 1.060 N ATOM 1132 CA SER A 73 17.818 -3.042 5.987 1.00 1.250 C ATOM 1133 C SER A 73 16.790 -1.930 6.035 1.00 1.220 C ATOM 1134 O SER A 73 15.933 -1.871 6.924 1.00 1.330 O ATOM 1135 CB SER A 73 19.142 -2.542 6.525 1.00 1.670 C ATOM 1136 OG SER A 73 19.017 -2.076 7.838 1.00 1.670 O ATOM 1137 H SER A 73 18.923 -3.430 4.223 1.00 1.270 H ATOM 1138 HA SER A 73 17.473 -3.870 6.602 1.00 1.500 H ATOM 1139 1HB SER A 73 19.872 -3.349 6.488 1.00 2.010 H ATOM 1140 2HB SER A 73 19.512 -1.743 5.885 1.00 2.010 H ATOM 1141 HG SER A 73 19.902 -1.810 8.097 1.00 2.010 H ATOM 1142 N TRP A 74 16.886 -1.023 5.067 1.00 1.150 N ATOM 1143 CA TRP A 74 16.000 0.115 4.976 1.00 1.210 C ATOM 1144 C TRP A 74 14.561 -0.298 5.046 1.00 1.100 C ATOM 1145 O TRP A 74 13.835 0.190 5.921 1.00 1.250 O ATOM 1146 CB TRP A 74 16.228 0.866 3.667 1.00 1.670 C ATOM 1147 CG TRP A 74 15.205 1.886 3.367 1.00 1.670 C ATOM 1148 CD1 TRP A 74 14.220 1.763 2.423 1.00 1.670 C ATOM 1149 CD2 TRP A 74 15.011 3.168 3.982 1.00 1.670 C ATOM 1150 NE1 TRP A 74 13.445 2.872 2.410 1.00 1.670 N ATOM 1151 CE2 TRP A 74 13.906 3.750 3.359 1.00 1.670 C ATOM 1152 CE3 TRP A 74 15.670 3.863 4.999 1.00 1.670 C ATOM 1153 CZ2 TRP A 74 13.439 4.998 3.718 1.00 1.670 C ATOM 1154 CZ3 TRP A 74 15.200 5.116 5.360 1.00 1.670 C ATOM 1155 CH2 TRP A 74 14.112 5.668 4.734 1.00 1.670 C ATOM 1156 H TRP A 74 17.609 -1.150 4.381 1.00 1.380 H ATOM 1157 HA TRP A 74 16.208 0.782 5.811 1.00 1.450 H ATOM 1158 1HB TRP A 74 17.213 1.333 3.667 1.00 2.000 H ATOM 1159 2HB TRP A 74 16.194 0.168 2.862 1.00 2.000 H ATOM 1160 HD1 TRP A 74 14.079 0.899 1.773 1.00 2.000 H ATOM 1161 HE1 TRP A 74 12.659 3.020 1.798 1.00 2.000 H ATOM 1162 HE3 TRP A 74 16.533 3.430 5.499 1.00 2.000 H ATOM 1163 HZ2 TRP A 74 12.578 5.455 3.236 1.00 2.000 H ATOM 1164 HZ3 TRP A 74 15.715 5.652 6.155 1.00 2.000 H ATOM 1165 HH2 TRP A 74 13.768 6.653 5.042 1.00 2.000 H ATOM 1166 N LEU A 75 14.139 -1.207 4.155 1.00 1.010 N ATOM 1167 CA LEU A 75 12.739 -1.573 4.186 1.00 1.100 C ATOM 1168 C LEU A 75 12.413 -2.501 5.340 1.00 1.300 C ATOM 1169 O LEU A 75 11.317 -2.430 5.886 1.00 1.530 O ATOM 1170 CB LEU A 75 12.229 -2.182 2.890 1.00 1.500 C ATOM 1171 CG LEU A 75 10.661 -2.442 2.888 1.00 1.500 C ATOM 1172 CD1 LEU A 75 9.898 -1.134 3.102 1.00 1.500 C ATOM 1173 CD2 LEU A 75 10.249 -2.996 1.624 1.00 1.500 C ATOM 1174 H LEU A 75 14.789 -1.591 3.457 1.00 1.210 H ATOM 1175 HA LEU A 75 12.201 -0.653 4.337 1.00 1.320 H ATOM 1176 1HB LEU A 75 12.470 -1.512 2.067 1.00 1.800 H ATOM 1177 2HB LEU A 75 12.740 -3.124 2.727 1.00 1.800 H ATOM 1178 HG LEU A 75 10.400 -3.141 3.680 1.00 1.800 H ATOM 1179 1HD1 LEU A 75 8.851 -1.341 3.072 1.00 1.800 H ATOM 1180 2HD1 LEU A 75 10.118 -0.678 4.059 1.00 1.800 H ATOM 1181 3HD1 LEU A 75 10.157 -0.455 2.306 1.00 1.800 H ATOM 1182 1HD2 LEU A 75 9.184 -3.169 1.651 1.00 1.800 H ATOM 1183 2HD2 LEU A 75 10.477 -2.285 0.840 1.00 1.800 H ATOM 1184 3HD2 LEU A 75 10.767 -3.932 1.462 1.00 1.800 H ATOM 1185 N ARG A 76 13.335 -3.395 5.698 1.00 1.290 N ATOM 1186 CA ARG A 76 13.121 -4.324 6.796 1.00 1.580 C ATOM 1187 C ARG A 76 12.611 -3.541 8.016 1.00 1.680 C ATOM 1188 O ARG A 76 11.677 -3.966 8.705 1.00 1.930 O ATOM 1189 CB ARG A 76 14.446 -5.011 7.092 1.00 2.100 C ATOM 1190 CG ARG A 76 14.527 -6.091 8.150 1.00 2.100 C ATOM 1191 CD ARG A 76 15.964 -6.527 8.223 1.00 2.100 C ATOM 1192 NE ARG A 76 16.236 -7.577 9.196 1.00 2.100 N ATOM 1193 CZ ARG A 76 17.471 -7.980 9.569 1.00 2.100 C ATOM 1194 NH1 ARG A 76 18.561 -7.412 9.076 1.00 2.100 N ATOM 1195 NH2 ARG A 76 17.563 -8.958 10.440 1.00 2.100 N ATOM 1196 H ARG A 76 14.224 -3.456 5.195 1.00 1.550 H ATOM 1197 HA ARG A 76 12.378 -5.063 6.499 1.00 1.900 H ATOM 1198 1HB ARG A 76 14.812 -5.457 6.173 1.00 2.520 H ATOM 1199 2HB ARG A 76 15.162 -4.253 7.379 1.00 2.520 H ATOM 1200 1HG ARG A 76 14.222 -5.699 9.122 1.00 2.520 H ATOM 1201 2HG ARG A 76 13.905 -6.948 7.878 1.00 2.520 H ATOM 1202 1HD ARG A 76 16.270 -6.887 7.241 1.00 2.520 H ATOM 1203 2HD ARG A 76 16.563 -5.657 8.488 1.00 2.520 H ATOM 1204 HE ARG A 76 15.449 -8.089 9.630 1.00 2.520 H ATOM 1205 1HH1 ARG A 76 18.486 -6.661 8.409 1.00 2.520 H ATOM 1206 2HH1 ARG A 76 19.473 -7.731 9.371 1.00 2.520 H ATOM 1207 1HH2 ARG A 76 16.685 -9.377 10.780 1.00 2.520 H ATOM 1208 2HH2 ARG A 76 18.458 -9.297 10.750 1.00 2.520 H ATOM 1209 N LYS A 77 13.239 -2.388 8.280 1.00 1.580 N ATOM 1210 CA LYS A 77 12.849 -1.525 9.382 1.00 1.740 C ATOM 1211 C LYS A 77 11.697 -0.530 9.063 1.00 1.780 C ATOM 1212 O LYS A 77 10.763 -0.387 9.870 1.00 1.910 O ATOM 1213 CB LYS A 77 14.073 -0.739 9.839 1.00 2.370 C ATOM 1214 CG LYS A 77 15.139 -1.586 10.513 1.00 2.370 C ATOM 1215 CD LYS A 77 16.337 -0.742 10.920 1.00 2.370 C ATOM 1216 CE LYS A 77 17.419 -1.587 11.572 1.00 2.370 C ATOM 1217 NZ LYS A 77 18.611 -0.774 11.944 1.00 2.370 N ATOM 1218 H LYS A 77 14.052 -2.136 7.702 1.00 1.900 H ATOM 1219 HA LYS A 77 12.521 -2.161 10.202 1.00 2.090 H ATOM 1220 1HB LYS A 77 14.533 -0.266 8.964 1.00 2.850 H ATOM 1221 2HB LYS A 77 13.769 0.053 10.520 1.00 2.850 H ATOM 1222 1HG LYS A 77 14.716 -2.073 11.391 1.00 2.850 H ATOM 1223 2HG LYS A 77 15.469 -2.359 9.813 1.00 2.850 H ATOM 1224 1HD LYS A 77 16.755 -0.265 10.029 1.00 2.850 H ATOM 1225 2HD LYS A 77 16.021 0.035 11.615 1.00 2.850 H ATOM 1226 1HE LYS A 77 17.016 -2.055 12.469 1.00 2.850 H ATOM 1227 2HE LYS A 77 17.728 -2.367 10.874 1.00 2.850 H ATOM 1228 1HZ LYS A 77 19.306 -1.371 12.370 1.00 2.850 H ATOM 1229 2HZ LYS A 77 18.998 -0.347 11.113 1.00 2.850 H ATOM 1230 3HZ LYS A 77 18.341 -0.054 12.599 1.00 2.850 H ATOM 1231 N THR A 78 11.778 0.165 7.913 1.00 1.810 N ATOM 1232 CA THR A 78 10.849 1.226 7.482 1.00 2.010 C ATOM 1233 C THR A 78 9.401 0.807 7.266 1.00 2.190 C ATOM 1234 O THR A 78 9.102 -0.178 6.593 1.00 2.710 O ATOM 1235 CB THR A 78 11.380 1.905 6.191 1.00 2.730 C ATOM 1236 OG1 THR A 78 12.660 2.466 6.463 1.00 2.730 O ATOM 1237 CG2 THR A 78 10.458 3.006 5.685 1.00 2.730 C ATOM 1238 H THR A 78 12.557 -0.018 7.286 1.00 2.170 H ATOM 1239 HA THR A 78 10.848 1.985 8.262 1.00 2.410 H ATOM 1240 HB THR A 78 11.479 1.165 5.417 1.00 3.280 H ATOM 1241 HG1 THR A 78 13.316 1.743 6.489 1.00 3.280 H ATOM 1242 1HG2 THR A 78 10.893 3.440 4.788 1.00 3.280 H ATOM 1243 2HG2 THR A 78 9.476 2.604 5.440 1.00 3.280 H ATOM 1244 3HG2 THR A 78 10.355 3.776 6.446 1.00 3.280 H ATOM 1245 N LYS A 79 8.486 1.595 7.819 1.00 2.230 N ATOM 1246 CA LYS A 79 7.063 1.340 7.680 1.00 2.650 C ATOM 1247 C LYS A 79 6.373 2.521 7.017 1.00 2.500 C ATOM 1248 O LYS A 79 6.852 3.654 7.083 1.00 2.840 O ATOM 1249 CB LYS A 79 6.446 1.061 9.054 1.00 3.540 C ATOM 1250 CG LYS A 79 7.094 -0.111 9.805 1.00 3.540 C ATOM 1251 CD LYS A 79 6.819 -1.474 9.153 1.00 3.540 C ATOM 1252 CE LYS A 79 7.488 -2.595 9.931 1.00 3.540 C ATOM 1253 NZ LYS A 79 8.988 -2.633 9.697 1.00 3.540 N ATOM 1254 H LYS A 79 8.795 2.396 8.354 1.00 2.680 H ATOM 1255 HA LYS A 79 6.915 0.476 7.035 1.00 3.180 H ATOM 1256 1HB LYS A 79 6.538 1.950 9.677 1.00 4.250 H ATOM 1257 2HB LYS A 79 5.386 0.856 8.947 1.00 4.250 H ATOM 1258 1HG LYS A 79 8.168 0.050 9.861 1.00 4.250 H ATOM 1259 2HG LYS A 79 6.703 -0.130 10.819 1.00 4.250 H ATOM 1260 1HD LYS A 79 5.745 -1.654 9.115 1.00 4.250 H ATOM 1261 2HD LYS A 79 7.214 -1.496 8.139 1.00 4.250 H ATOM 1262 1HE LYS A 79 7.303 -2.443 10.992 1.00 4.250 H ATOM 1263 2HE LYS A 79 7.057 -3.548 9.630 1.00 4.250 H ATOM 1264 1HZ LYS A 79 9.401 -3.383 10.228 1.00 4.250 H ATOM 1265 2HZ LYS A 79 9.179 -2.793 8.713 1.00 4.250 H ATOM 1266 3HZ LYS A 79 9.441 -1.738 9.979 1.00 4.250 H ATOM 1267 N LEU A 80 5.233 2.246 6.407 1.00 2.530 N ATOM 1268 CA LEU A 80 4.387 3.256 5.802 1.00 2.950 C ATOM 1269 C LEU A 80 3.602 3.958 6.910 1.00 3.140 C ATOM 1270 O LEU A 80 3.343 3.346 7.951 1.00 3.030 O ATOM 1271 CB LEU A 80 3.321 2.613 4.901 1.00 3.960 C ATOM 1272 CG LEU A 80 3.715 1.783 3.717 1.00 3.960 C ATOM 1273 CD1 LEU A 80 2.425 1.180 3.175 1.00 3.960 C ATOM 1274 CD2 LEU A 80 4.386 2.630 2.669 1.00 3.960 C ATOM 1275 H LEU A 80 4.937 1.282 6.382 1.00 3.040 H ATOM 1276 HA LEU A 80 5.012 3.950 5.254 1.00 3.540 H ATOM 1277 1HB LEU A 80 2.644 2.032 5.508 1.00 4.750 H ATOM 1278 2HB LEU A 80 2.748 3.417 4.489 1.00 4.750 H ATOM 1279 HG LEU A 80 4.384 0.991 4.018 1.00 4.750 H ATOM 1280 1HD1 LEU A 80 2.624 0.567 2.318 1.00 4.750 H ATOM 1281 2HD1 LEU A 80 1.957 0.576 3.952 1.00 4.750 H ATOM 1282 3HD1 LEU A 80 1.744 1.987 2.887 1.00 4.750 H ATOM 1283 1HD2 LEU A 80 4.640 2.016 1.811 1.00 4.750 H ATOM 1284 2HD2 LEU A 80 3.709 3.428 2.356 1.00 4.750 H ATOM 1285 3HD2 LEU A 80 5.286 3.061 3.079 1.00 4.750 H ATOM 1286 N PRO A 81 3.211 5.236 6.757 1.00 3.660 N ATOM 1287 CA PRO A 81 2.273 5.911 7.641 1.00 4.060 C ATOM 1288 C PRO A 81 1.005 5.063 7.808 1.00 3.650 C ATOM 1289 O PRO A 81 0.445 4.971 8.911 1.00 3.650 O ATOM 1290 CB PRO A 81 2.001 7.216 6.883 1.00 6.090 C ATOM 1291 CG PRO A 81 3.294 7.476 6.128 1.00 6.090 C ATOM 1292 CD PRO A 81 3.767 6.087 5.686 1.00 6.090 C ATOM 1293 HA PRO A 81 2.752 6.100 8.612 1.00 4.870 H ATOM 1294 1HB PRO A 81 1.133 7.091 6.211 1.00 7.310 H ATOM 1295 2HB PRO A 81 1.746 8.017 7.593 1.00 7.310 H ATOM 1296 1HG PRO A 81 3.106 8.153 5.276 1.00 7.310 H ATOM 1297 2HG PRO A 81 4.021 7.984 6.780 1.00 7.310 H ATOM 1298 1HD PRO A 81 3.340 5.816 4.702 1.00 7.310 H ATOM 1299 2HD PRO A 81 4.868 6.072 5.694 1.00 7.310 H ATOM 1300 N GLU A 82 0.620 4.363 6.725 1.00 3.460 N ATOM 1301 CA GLU A 82 -0.536 3.481 6.695 1.00 3.360 C ATOM 1302 C GLU A 82 -0.519 2.311 7.682 1.00 3.030 C ATOM 1303 O GLU A 82 -1.525 1.634 7.805 1.00 3.080 O ATOM 1304 CB GLU A 82 -0.765 2.941 5.283 1.00 4.740 C ATOM 1305 CG GLU A 82 -1.236 3.974 4.246 1.00 4.740 C ATOM 1306 CD GLU A 82 -0.150 4.779 3.585 1.00 4.740 C ATOM 1307 OE1 GLU A 82 0.948 4.797 4.070 1.00 4.740 O ATOM 1308 OE2 GLU A 82 -0.431 5.378 2.567 1.00 4.740 O ATOM 1309 H GLU A 82 1.095 4.504 5.826 1.00 4.150 H ATOM 1310 HA GLU A 82 -1.404 4.091 6.943 1.00 4.030 H ATOM 1311 1HB GLU A 82 0.147 2.475 4.918 1.00 5.690 H ATOM 1312 2HB GLU A 82 -1.529 2.173 5.322 1.00 5.690 H ATOM 1313 1HG GLU A 82 -1.792 3.446 3.472 1.00 5.690 H ATOM 1314 2HG GLU A 82 -1.927 4.658 4.739 1.00 5.690 H ATOM 1315 N TYR A 83 0.579 2.069 8.408 1.00 2.880 N ATOM 1316 CA TYR A 83 0.593 0.995 9.407 1.00 2.840 C ATOM 1317 C TYR A 83 0.026 1.472 10.746 1.00 2.740 C ATOM 1318 O TYR A 83 -0.083 0.695 11.697 1.00 2.800 O ATOM 1319 CB TYR A 83 2.002 0.434 9.636 1.00 3.990 C ATOM 1320 CG TYR A 83 2.533 -0.543 8.596 1.00 3.990 C ATOM 1321 CD1 TYR A 83 3.133 -0.088 7.476 1.00 3.990 C ATOM 1322 CD2 TYR A 83 2.463 -1.911 8.829 1.00 3.990 C ATOM 1323 CE1 TYR A 83 3.667 -0.964 6.552 1.00 3.990 C ATOM 1324 CE2 TYR A 83 2.998 -2.791 7.913 1.00 3.990 C ATOM 1325 CZ TYR A 83 3.592 -2.321 6.784 1.00 3.990 C ATOM 1326 OH TYR A 83 4.116 -3.193 5.880 1.00 3.990 O ATOM 1327 H TYR A 83 1.420 2.642 8.279 1.00 3.460 H ATOM 1328 HA TYR A 83 -0.025 0.183 9.043 1.00 3.410 H ATOM 1329 1HB TYR A 83 2.699 1.275 9.678 1.00 4.790 H ATOM 1330 2HB TYR A 83 2.046 -0.053 10.603 1.00 4.790 H ATOM 1331 HD1 TYR A 83 3.180 0.964 7.333 1.00 4.790 H ATOM 1332 HD2 TYR A 83 1.998 -2.285 9.735 1.00 4.790 H ATOM 1333 HE1 TYR A 83 4.145 -0.597 5.655 1.00 4.790 H ATOM 1334 HE2 TYR A 83 2.961 -3.853 8.078 1.00 4.790 H ATOM 1335 HH TYR A 83 4.369 -2.707 5.100 1.00 4.790 H ATOM 1336 N THR A 84 -0.351 2.746 10.843 1.00 2.860 N ATOM 1337 CA THR A 84 -0.882 3.257 12.095 1.00 3.020 C ATOM 1338 C THR A 84 -2.086 2.421 12.520 1.00 2.890 C ATOM 1339 O THR A 84 -3.107 2.370 11.824 1.00 3.020 O ATOM 1340 CB THR A 84 -1.275 4.748 11.934 1.00 4.160 C ATOM 1341 OG1 THR A 84 -0.123 5.515 11.549 1.00 4.160 O ATOM 1342 CG2 THR A 84 -1.843 5.303 13.224 1.00 4.160 C ATOM 1343 H THR A 84 -0.232 3.373 10.045 1.00 3.430 H ATOM 1344 HA THR A 84 -0.113 3.177 12.864 1.00 3.620 H ATOM 1345 HB THR A 84 -2.017 4.835 11.152 1.00 5.000 H ATOM 1346 HG1 THR A 84 0.104 5.331 10.608 1.00 5.000 H ATOM 1347 1HG2 THR A 84 -2.112 6.347 13.077 1.00 5.000 H ATOM 1348 2HG2 THR A 84 -2.721 4.753 13.506 1.00 5.000 H ATOM 1349 3HG2 THR A 84 -1.102 5.229 14.018 1.00 5.000 H ATOM 1350 N ARG A 85 -2.030 1.862 13.731 1.00 2.930 N ATOM 1351 CA ARG A 85 -3.102 0.983 14.185 1.00 3.200 C ATOM 1352 C ARG A 85 -4.443 1.708 14.232 1.00 3.220 C ATOM 1353 O ARG A 85 -5.474 1.147 13.852 1.00 3.510 O ATOM 1354 CB ARG A 85 -2.767 0.364 15.545 1.00 4.370 C ATOM 1355 CG ARG A 85 -1.612 -0.671 15.490 1.00 4.370 C ATOM 1356 CD ARG A 85 -1.517 -1.559 16.735 1.00 4.370 C ATOM 1357 NE ARG A 85 -1.109 -0.904 17.910 1.00 4.370 N ATOM 1358 CZ ARG A 85 0.185 -0.763 18.329 1.00 4.370 C ATOM 1359 NH1 ARG A 85 1.233 -1.284 17.656 1.00 4.370 N ATOM 1360 NH2 ARG A 85 0.410 -0.099 19.448 1.00 4.370 N ATOM 1361 H ARG A 85 -1.200 1.993 14.291 1.00 3.520 H ATOM 1362 HA ARG A 85 -3.188 0.165 13.469 1.00 3.840 H ATOM 1363 1HB ARG A 85 -2.490 1.150 16.250 1.00 5.250 H ATOM 1364 2HB ARG A 85 -3.646 -0.144 15.942 1.00 5.250 H ATOM 1365 1HG ARG A 85 -1.730 -1.286 14.605 1.00 5.250 H ATOM 1366 2HG ARG A 85 -0.670 -0.130 15.409 1.00 5.250 H ATOM 1367 1HD ARG A 85 -2.505 -1.939 16.923 1.00 5.250 H ATOM 1368 2HD ARG A 85 -0.839 -2.392 16.551 1.00 5.250 H ATOM 1369 HE ARG A 85 -1.874 -0.543 18.514 1.00 5.250 H ATOM 1370 1HH1 ARG A 85 1.139 -1.866 16.797 1.00 5.250 H ATOM 1371 2HH1 ARG A 85 2.167 -1.156 18.022 1.00 5.250 H ATOM 1372 1HH2 ARG A 85 -0.374 0.296 19.950 1.00 5.250 H ATOM 1373 2HH2 ARG A 85 1.350 0.022 19.793 1.00 5.250 H ATOM 1374 N GLU A 86 -4.415 2.962 14.669 1.00 3.120 N ATOM 1375 CA GLU A 86 -5.588 3.823 14.790 1.00 3.410 C ATOM 1376 C GLU A 86 -6.217 4.205 13.453 1.00 3.240 C ATOM 1377 O GLU A 86 -7.353 4.673 13.408 1.00 3.520 O ATOM 1378 CB GLU A 86 -5.193 5.065 15.586 1.00 4.660 C ATOM 1379 CG GLU A 86 -4.845 4.742 17.035 1.00 4.660 C ATOM 1380 CD GLU A 86 -3.485 4.174 17.218 1.00 4.660 C ATOM 1381 OE1 GLU A 86 -2.703 4.223 16.289 1.00 4.660 O ATOM 1382 OE2 GLU A 86 -3.244 3.624 18.272 1.00 4.660 O ATOM 1383 H GLU A 86 -3.512 3.344 14.967 1.00 3.740 H ATOM 1384 HA GLU A 86 -6.347 3.286 15.355 1.00 4.090 H ATOM 1385 1HB GLU A 86 -4.342 5.552 15.119 1.00 5.590 H ATOM 1386 2HB GLU A 86 -6.020 5.773 15.583 1.00 5.590 H ATOM 1387 1HG GLU A 86 -4.925 5.647 17.631 1.00 5.590 H ATOM 1388 2HG GLU A 86 -5.558 4.044 17.407 1.00 5.590 H ATOM 1389 N ALA A 87 -5.457 4.079 12.363 1.00 2.970 N ATOM 1390 CA ALA A 87 -5.952 4.409 11.041 1.00 3.090 C ATOM 1391 C ALA A 87 -6.633 3.192 10.447 1.00 2.690 C ATOM 1392 O ALA A 87 -7.646 3.295 9.756 1.00 2.780 O ATOM 1393 CB ALA A 87 -4.815 4.862 10.143 1.00 4.280 C ATOM 1394 H ALA A 87 -4.528 3.671 12.441 1.00 3.560 H ATOM 1395 HA ALA A 87 -6.690 5.206 11.133 1.00 3.710 H ATOM 1396 1HB ALA A 87 -5.207 5.107 9.157 1.00 5.130 H ATOM 1397 2HB ALA A 87 -4.338 5.739 10.575 1.00 5.130 H ATOM 1398 3HB ALA A 87 -4.087 4.054 10.053 1.00 5.130 H ATOM 1399 N LEU A 88 -6.052 2.030 10.746 1.00 2.430 N ATOM 1400 CA LEU A 88 -6.513 0.748 10.234 1.00 2.280 C ATOM 1401 C LEU A 88 -7.739 0.227 10.989 1.00 2.090 C ATOM 1402 O LEU A 88 -8.591 -0.453 10.413 1.00 2.580 O ATOM 1403 CB LEU A 88 -5.331 -0.195 10.292 1.00 3.250 C ATOM 1404 CG LEU A 88 -4.129 0.232 9.377 1.00 3.250 C ATOM 1405 CD1 LEU A 88 -2.940 -0.595 9.691 1.00 3.250 C ATOM 1406 CD2 LEU A 88 -4.500 0.054 7.909 1.00 3.250 C ATOM 1407 H LEU A 88 -5.188 2.060 11.294 1.00 2.920 H ATOM 1408 HA LEU A 88 -6.819 0.886 9.204 1.00 2.740 H ATOM 1409 1HB LEU A 88 -4.982 -0.267 11.322 1.00 3.900 H ATOM 1410 2HB LEU A 88 -5.674 -1.164 9.953 1.00 3.900 H ATOM 1411 HG LEU A 88 -3.867 1.273 9.564 1.00 3.900 H ATOM 1412 1HD1 LEU A 88 -2.138 -0.304 9.067 1.00 3.900 H ATOM 1413 2HD1 LEU A 88 -2.653 -0.463 10.736 1.00 3.900 H ATOM 1414 3HD1 LEU A 88 -3.161 -1.576 9.507 1.00 3.900 H ATOM 1415 1HD2 LEU A 88 -3.650 0.343 7.294 1.00 3.900 H ATOM 1416 2HD2 LEU A 88 -4.755 -0.984 7.724 1.00 3.900 H ATOM 1417 3HD2 LEU A 88 -5.341 0.674 7.642 1.00 3.900 H ATOM 1418 N CYS A 89 -7.878 0.636 12.248 1.00 1.880 N ATOM 1419 CA CYS A 89 -9.039 0.315 13.063 1.00 1.810 C ATOM 1420 C CYS A 89 -9.461 1.538 13.875 1.00 1.690 C ATOM 1421 O CYS A 89 -9.305 1.565 15.090 1.00 1.810 O ATOM 1422 CB CYS A 89 -8.761 -0.830 14.046 1.00 2.560 C ATOM 1423 SG CYS A 89 -8.443 -2.463 13.312 1.00 2.560 S ATOM 1424 H CYS A 89 -7.110 1.148 12.672 1.00 2.260 H ATOM 1425 HA CYS A 89 -9.854 0.003 12.417 1.00 2.170 H ATOM 1426 1HB CYS A 89 -7.889 -0.570 14.641 1.00 3.070 H ATOM 1427 2HB CYS A 89 -9.606 -0.922 14.729 1.00 3.070 H ATOM 1428 N PRO A 90 -10.034 2.563 13.217 1.00 1.820 N ATOM 1429 CA PRO A 90 -10.493 3.797 13.804 1.00 2.070 C ATOM 1430 C PRO A 90 -11.747 3.376 14.529 1.00 2.120 C ATOM 1431 O PRO A 90 -12.368 2.421 14.051 1.00 2.260 O ATOM 1432 CB PRO A 90 -10.740 4.678 12.565 1.00 3.100 C ATOM 1433 CG PRO A 90 -11.110 3.704 11.478 1.00 3.100 C ATOM 1434 CD PRO A 90 -10.309 2.462 11.759 1.00 3.100 C ATOM 1435 HA PRO A 90 -9.716 4.195 14.478 1.00 2.480 H ATOM 1436 1HB PRO A 90 -11.526 5.416 12.738 1.00 3.730 H ATOM 1437 2HB PRO A 90 -9.814 5.233 12.323 1.00 3.730 H ATOM 1438 1HG PRO A 90 -12.186 3.519 11.473 1.00 3.730 H ATOM 1439 2HG PRO A 90 -10.856 4.129 10.495 1.00 3.730 H ATOM 1440 1HD PRO A 90 -10.940 1.599 11.520 1.00 3.730 H ATOM 1441 2HD PRO A 90 -9.403 2.490 11.179 1.00 3.730 H ATOM 1442 N PRO A 91 -12.268 4.124 15.523 1.00 2.630 N ATOM 1443 CA PRO A 91 -13.473 3.827 16.323 1.00 2.950 C ATOM 1444 C PRO A 91 -14.766 3.481 15.554 1.00 3.110 C ATOM 1445 O PRO A 91 -15.829 3.336 16.152 1.00 3.800 O ATOM 1446 CB PRO A 91 -13.625 5.109 17.156 1.00 4.430 C ATOM 1447 CG PRO A 91 -12.881 6.180 16.387 1.00 4.430 C ATOM 1448 CD PRO A 91 -11.693 5.447 15.794 1.00 4.430 C ATOM 1449 HA PRO A 91 -13.226 2.990 16.996 1.00 3.540 H ATOM 1450 1HB PRO A 91 -14.693 5.346 17.272 1.00 5.310 H ATOM 1451 2HB PRO A 91 -13.228 4.934 18.170 1.00 5.310 H ATOM 1452 1HG PRO A 91 -13.535 6.627 15.622 1.00 5.310 H ATOM 1453 2HG PRO A 91 -12.584 6.994 17.067 1.00 5.310 H ATOM 1454 1HD PRO A 91 -11.363 5.965 14.901 1.00 5.310 H ATOM 1455 2HD PRO A 91 -10.887 5.348 16.517 1.00 5.310 H ATOM 1456 N ALA A 92 -14.676 3.373 14.229 1.00 3.140 N ATOM 1457 CA ALA A 92 -15.698 2.853 13.351 1.00 3.960 C ATOM 1458 C ALA A 92 -15.944 1.401 13.732 1.00 4.180 C ATOM 1459 O ALA A 92 -17.051 0.873 13.610 1.00 5.020 O ATOM 1460 CB ALA A 92 -15.263 2.960 11.903 1.00 5.220 C ATOM 1461 H ALA A 92 -13.780 3.549 13.800 1.00 3.770 H ATOM 1462 HA ALA A 92 -16.620 3.415 13.509 1.00 4.750 H ATOM 1463 1HB ALA A 92 -16.042 2.556 11.261 1.00 6.260 H ATOM 1464 2HB ALA A 92 -15.084 4.004 11.653 1.00 6.260 H ATOM 1465 3HB ALA A 92 -14.345 2.389 11.767 1.00 6.260 H ATOM 1466 N CYS A 93 -14.840 0.748 14.123 1.00 3.630 N ATOM 1467 CA CYS A 93 -14.791 -0.660 14.472 1.00 3.940 C ATOM 1468 C CYS A 93 -15.810 -1.011 15.549 1.00 4.000 C ATOM 1469 O CYS A 93 -16.119 -0.202 16.426 1.00 4.000 O ATOM 1470 CB CYS A 93 -13.375 -1.030 14.933 1.00 5.390 C ATOM 1471 SG CYS A 93 -12.809 -0.150 16.433 1.00 5.390 S ATOM 1472 H CYS A 93 -13.980 1.293 14.178 1.00 4.360 H ATOM 1473 HA CYS A 93 -15.023 -1.242 13.579 1.00 4.730 H ATOM 1474 1HB CYS A 93 -13.319 -2.102 15.127 1.00 6.470 H ATOM 1475 2HB CYS A 93 -12.667 -0.808 14.132 1.00 6.470 H ATOM 1476 N ARG A 94 -16.333 -2.234 15.461 1.00 4.440 N ATOM 1477 CA ARG A 94 -17.337 -2.734 16.384 1.00 4.780 C ATOM 1478 C ARG A 94 -16.992 -4.142 16.825 1.00 4.640 C ATOM 1479 O ARG A 94 -17.866 -4.999 16.964 1.00 5.160 O ATOM 1480 CB ARG A 94 -18.709 -2.717 15.731 1.00 6.560 C ATOM 1481 CG ARG A 94 -19.170 -1.344 15.283 1.00 6.560 C ATOM 1482 CD ARG A 94 -20.568 -1.337 14.852 1.00 6.560 C ATOM 1483 NE ARG A 94 -21.462 -1.488 15.997 1.00 6.560 N ATOM 1484 CZ ARG A 94 -22.789 -1.725 15.939 1.00 6.560 C ATOM 1485 NH1 ARG A 94 -23.404 -1.867 14.775 1.00 6.560 N ATOM 1486 NH2 ARG A 94 -23.472 -1.805 17.067 1.00 6.560 N ATOM 1487 H ARG A 94 -16.020 -2.843 14.715 1.00 5.330 H ATOM 1488 HA ARG A 94 -17.358 -2.096 17.258 1.00 5.740 H ATOM 1489 1HB ARG A 94 -18.702 -3.364 14.857 1.00 7.870 H ATOM 1490 2HB ARG A 94 -19.451 -3.098 16.410 1.00 7.870 H ATOM 1491 1HG ARG A 94 -19.053 -0.633 16.102 1.00 7.870 H ATOM 1492 2HG ARG A 94 -18.566 -1.022 14.440 1.00 7.870 H ATOM 1493 1HD ARG A 94 -20.788 -0.388 14.364 1.00 7.870 H ATOM 1494 2HD ARG A 94 -20.737 -2.160 14.163 1.00 7.870 H ATOM 1495 HE ARG A 94 -21.036 -1.383 16.936 1.00 7.870 H ATOM 1496 1HH1 ARG A 94 -22.883 -1.803 13.915 1.00 7.870 H ATOM 1497 2HH1 ARG A 94 -24.399 -2.041 14.745 1.00 7.870 H ATOM 1498 1HH2 ARG A 94 -22.990 -1.676 17.954 1.00 7.870 H ATOM 1499 2HH2 ARG A 94 -24.464 -1.973 17.050 1.00 7.870 H ATOM 1500 N GLY A 95 -15.705 -4.411 16.938 1.00 4.290 N ATOM 1501 CA GLY A 95 -15.232 -5.730 17.305 1.00 4.460 C ATOM 1502 C GLY A 95 -14.108 -6.125 16.367 1.00 4.140 C ATOM 1503 O GLY A 95 -13.460 -5.259 15.774 1.00 4.100 O ATOM 1504 H GLY A 95 -15.035 -3.669 16.783 1.00 5.150 H ATOM 1505 1HA GLY A 95 -14.876 -5.720 18.335 1.00 5.350 H ATOM 1506 2HA GLY A 95 -16.043 -6.454 17.240 1.00 5.350 H ATOM 1507 N SER A 96 -13.847 -7.427 16.280 1.00 4.220 N ATOM 1508 CA SER A 96 -12.781 -7.964 15.445 1.00 3.980 C ATOM 1509 C SER A 96 -13.168 -7.882 13.981 1.00 3.430 C ATOM 1510 O SER A 96 -14.348 -7.737 13.642 1.00 3.620 O ATOM 1511 CB SER A 96 -12.542 -9.418 15.800 1.00 5.670 C ATOM 1512 OG SER A 96 -13.674 -10.177 15.456 1.00 5.670 O ATOM 1513 H SER A 96 -14.423 -8.087 16.786 1.00 5.060 H ATOM 1514 HA SER A 96 -11.871 -7.382 15.598 1.00 4.780 H ATOM 1515 1HB SER A 96 -11.673 -9.791 15.254 1.00 6.800 H ATOM 1516 2HB SER A 96 -12.333 -9.519 16.863 1.00 6.800 H ATOM 1517 HG SER A 96 -13.446 -11.128 15.569 1.00 6.800 H ATOM 1518 N THR A 97 -12.176 -7.993 13.104 1.00 3.100 N ATOM 1519 CA THR A 97 -12.458 -8.016 11.673 1.00 2.800 C ATOM 1520 C THR A 97 -11.481 -8.861 10.877 1.00 2.720 C ATOM 1521 O THR A 97 -10.637 -9.566 11.444 1.00 2.880 O ATOM 1522 CB THR A 97 -12.546 -6.597 11.092 1.00 4.040 C ATOM 1523 OG1 THR A 97 -13.033 -6.679 9.736 1.00 4.040 O ATOM 1524 CG2 THR A 97 -11.204 -5.913 11.121 1.00 4.040 C ATOM 1525 H THR A 97 -11.213 -8.089 13.445 1.00 3.720 H ATOM 1526 HA THR A 97 -13.443 -8.465 11.542 1.00 3.360 H ATOM 1527 HB THR A 97 -13.255 -6.018 11.686 1.00 4.850 H ATOM 1528 HG1 THR A 97 -13.370 -5.810 9.469 1.00 4.850 H ATOM 1529 1HG2 THR A 97 -11.295 -4.909 10.709 1.00 4.850 H ATOM 1530 2HG2 THR A 97 -10.842 -5.850 12.149 1.00 4.850 H ATOM 1531 3HG2 THR A 97 -10.511 -6.475 10.531 1.00 4.850 H ATOM 1532 N THR A 98 -11.588 -8.782 9.550 1.00 2.670 N ATOM 1533 CA THR A 98 -10.713 -9.580 8.696 1.00 2.620 C ATOM 1534 C THR A 98 -9.493 -8.773 8.290 1.00 2.310 C ATOM 1535 O THR A 98 -9.583 -7.800 7.537 1.00 2.480 O ATOM 1536 CB THR A 98 -11.443 -10.071 7.426 1.00 3.690 C ATOM 1537 OG1 THR A 98 -12.565 -10.886 7.799 1.00 3.690 O ATOM 1538 CG2 THR A 98 -10.485 -10.917 6.569 1.00 3.690 C ATOM 1539 H THR A 98 -12.281 -8.146 9.159 1.00 3.200 H ATOM 1540 HA THR A 98 -10.375 -10.450 9.255 1.00 3.140 H ATOM 1541 HB THR A 98 -11.794 -9.216 6.848 1.00 4.430 H ATOM 1542 HG1 THR A 98 -13.221 -10.336 8.231 1.00 4.430 H ATOM 1543 1HG2 THR A 98 -11.007 -11.267 5.682 1.00 4.430 H ATOM 1544 2HG2 THR A 98 -9.620 -10.324 6.263 1.00 4.430 H ATOM 1545 3HG2 THR A 98 -10.150 -11.769 7.153 1.00 4.430 H ATOM 1546 N LEU A 99 -8.360 -9.177 8.833 1.00 2.000 N ATOM 1547 CA LEU A 99 -7.075 -8.536 8.631 1.00 1.780 C ATOM 1548 C LEU A 99 -6.221 -9.562 7.894 1.00 1.670 C ATOM 1549 O LEU A 99 -6.698 -10.667 7.658 1.00 1.710 O ATOM 1550 CB LEU A 99 -6.539 -7.992 9.964 1.00 2.580 C ATOM 1551 CG LEU A 99 -7.542 -6.985 10.732 1.00 2.580 C ATOM 1552 CD1 LEU A 99 -6.932 -6.522 12.036 1.00 2.580 C ATOM 1553 CD2 LEU A 99 -7.916 -5.760 9.851 1.00 2.580 C ATOM 1554 H LEU A 99 -8.400 -10.021 9.411 1.00 2.400 H ATOM 1555 HA LEU A 99 -7.192 -7.691 7.957 1.00 2.140 H ATOM 1556 1HB LEU A 99 -6.324 -8.830 10.612 1.00 3.100 H ATOM 1557 2HB LEU A 99 -5.653 -7.467 9.790 1.00 3.100 H ATOM 1558 HG LEU A 99 -8.452 -7.534 10.986 1.00 3.100 H ATOM 1559 1HD1 LEU A 99 -7.646 -5.872 12.550 1.00 3.100 H ATOM 1560 2HD1 LEU A 99 -6.708 -7.342 12.663 1.00 3.100 H ATOM 1561 3HD1 LEU A 99 -6.027 -5.974 11.847 1.00 3.100 H ATOM 1562 1HD2 LEU A 99 -8.593 -5.117 10.402 1.00 3.100 H ATOM 1563 2HD2 LEU A 99 -7.070 -5.187 9.580 1.00 3.100 H ATOM 1564 3HD2 LEU A 99 -8.407 -6.083 8.945 1.00 3.100 H ATOM 1565 N TYR A 100 -5.009 -9.237 7.454 1.00 1.610 N ATOM 1566 CA TYR A 100 -4.261 -10.232 6.676 1.00 1.570 C ATOM 1567 C TYR A 100 -3.032 -10.805 7.334 1.00 1.500 C ATOM 1568 O TYR A 100 -2.167 -10.094 7.807 1.00 1.590 O ATOM 1569 CB TYR A 100 -3.858 -9.610 5.354 1.00 2.210 C ATOM 1570 CG TYR A 100 -5.004 -9.400 4.424 1.00 2.210 C ATOM 1571 CD1 TYR A 100 -5.903 -8.362 4.618 1.00 2.210 C ATOM 1572 CD2 TYR A 100 -5.136 -10.236 3.346 1.00 2.210 C ATOM 1573 CE1 TYR A 100 -6.936 -8.196 3.748 1.00 2.210 C ATOM 1574 CE2 TYR A 100 -6.153 -10.064 2.468 1.00 2.210 C ATOM 1575 CZ TYR A 100 -7.065 -9.054 2.670 1.00 2.210 C ATOM 1576 OH TYR A 100 -8.073 -8.842 1.763 1.00 2.210 O ATOM 1577 H TYR A 100 -4.589 -8.327 7.675 1.00 1.930 H ATOM 1578 HA TYR A 100 -4.921 -11.069 6.473 1.00 1.880 H ATOM 1579 1HB TYR A 100 -3.384 -8.642 5.543 1.00 2.660 H ATOM 1580 2HB TYR A 100 -3.123 -10.251 4.862 1.00 2.660 H ATOM 1581 HD1 TYR A 100 -5.793 -7.679 5.459 1.00 2.660 H ATOM 1582 HD2 TYR A 100 -4.419 -11.025 3.186 1.00 2.660 H ATOM 1583 HE1 TYR A 100 -7.647 -7.383 3.892 1.00 2.660 H ATOM 1584 HE2 TYR A 100 -6.246 -10.722 1.602 1.00 2.660 H ATOM 1585 HH TYR A 100 -7.786 -9.181 0.871 1.00 2.660 H ATOM 1586 N ASN A 101 -2.845 -12.097 7.231 1.00 1.490 N ATOM 1587 CA ASN A 101 -1.629 -12.630 7.779 1.00 1.590 C ATOM 1588 C ASN A 101 -0.549 -12.298 6.786 1.00 1.700 C ATOM 1589 O ASN A 101 -0.541 -12.809 5.659 1.00 1.840 O ATOM 1590 CB ASN A 101 -1.688 -14.111 8.067 1.00 2.190 C ATOM 1591 CG ASN A 101 -0.420 -14.603 8.810 1.00 2.190 C ATOM 1592 OD1 ASN A 101 0.739 -14.137 8.631 1.00 2.190 O ATOM 1593 ND2 ASN A 101 -0.645 -15.568 9.681 1.00 2.190 N ATOM 1594 H ASN A 101 -3.562 -12.686 6.814 1.00 1.790 H ATOM 1595 HA ASN A 101 -1.384 -12.111 8.702 1.00 1.910 H ATOM 1596 1HB ASN A 101 -2.565 -14.333 8.670 1.00 2.620 H ATOM 1597 2HB ASN A 101 -1.785 -14.662 7.129 1.00 2.620 H ATOM 1598 1HD2 ASN A 101 0.109 -15.953 10.214 1.00 2.620 H ATOM 1599 2HD2 ASN A 101 -1.573 -15.921 9.808 1.00 2.620 H ATOM 1600 N CYS A 102 0.329 -11.408 7.217 1.00 1.740 N ATOM 1601 CA CYS A 102 1.416 -10.803 6.471 1.00 1.900 C ATOM 1602 C CYS A 102 2.308 -11.821 5.777 1.00 2.040 C ATOM 1603 O CYS A 102 2.848 -11.549 4.702 1.00 2.240 O ATOM 1604 CB CYS A 102 2.243 -9.970 7.449 1.00 2.600 C ATOM 1605 SG CYS A 102 3.584 -8.995 6.755 1.00 2.600 S ATOM 1606 H CYS A 102 0.172 -11.060 8.157 1.00 2.090 H ATOM 1607 HA CYS A 102 0.982 -10.141 5.718 1.00 2.280 H ATOM 1608 1HB CYS A 102 1.572 -9.291 7.981 1.00 3.120 H ATOM 1609 2HB CYS A 102 2.678 -10.636 8.191 1.00 3.120 H ATOM 1610 N SER A 103 2.511 -12.981 6.408 1.00 2.040 N ATOM 1611 CA SER A 103 3.410 -13.998 5.878 1.00 2.250 C ATOM 1612 C SER A 103 2.823 -14.865 4.759 1.00 2.220 C ATOM 1613 O SER A 103 3.553 -15.666 4.167 1.00 2.420 O ATOM 1614 CB SER A 103 3.860 -14.903 7.008 1.00 3.070 C ATOM 1615 OG SER A 103 2.814 -15.723 7.448 1.00 3.070 O ATOM 1616 H SER A 103 2.023 -13.204 7.283 1.00 2.450 H ATOM 1617 HA SER A 103 4.282 -13.486 5.473 1.00 2.700 H ATOM 1618 1HB SER A 103 4.698 -15.513 6.682 1.00 3.680 H ATOM 1619 2HB SER A 103 4.205 -14.290 7.839 1.00 3.680 H ATOM 1620 HG SER A 103 3.093 -16.071 8.299 1.00 3.680 H ATOM 1621 N THR A 104 1.502 -14.778 4.503 1.00 2.020 N ATOM 1622 CA THR A 104 0.881 -15.592 3.465 1.00 2.050 C ATOM 1623 C THR A 104 0.048 -14.666 2.604 1.00 1.970 C ATOM 1624 O THR A 104 -0.347 -15.001 1.472 1.00 2.280 O ATOM 1625 CB THR A 104 0.012 -16.730 4.049 1.00 2.860 C ATOM 1626 OG1 THR A 104 -1.074 -16.180 4.799 1.00 2.860 O ATOM 1627 CG2 THR A 104 0.845 -17.598 4.971 1.00 2.860 C ATOM 1628 H THR A 104 0.896 -14.106 4.985 1.00 2.420 H ATOM 1629 HA THR A 104 1.658 -16.032 2.843 1.00 2.460 H ATOM 1630 HB THR A 104 -0.383 -17.333 3.233 1.00 3.430 H ATOM 1631 HG1 THR A 104 -1.695 -16.886 5.016 1.00 3.430 H ATOM 1632 1HG2 THR A 104 0.228 -18.398 5.372 1.00 3.430 H ATOM 1633 2HG2 THR A 104 1.678 -18.023 4.412 1.00 3.430 H ATOM 1634 3HG2 THR A 104 1.229 -17.000 5.791 1.00 3.430 H ATOM 1635 N CYS A 105 -0.161 -13.477 3.166 1.00 1.790 N ATOM 1636 CA CYS A 105 -0.992 -12.383 2.659 1.00 1.730 C ATOM 1637 C CYS A 105 -2.432 -12.851 2.460 1.00 1.740 C ATOM 1638 O CYS A 105 -3.021 -12.691 1.385 1.00 1.840 O ATOM 1639 CB CYS A 105 -0.423 -11.862 1.345 1.00 2.450 C ATOM 1640 SG CYS A 105 -1.207 -10.398 0.706 1.00 2.450 S ATOM 1641 H CYS A 105 0.239 -13.365 4.100 1.00 2.150 H ATOM 1642 HA CYS A 105 -0.984 -11.574 3.391 1.00 2.080 H ATOM 1643 1HB CYS A 105 0.616 -11.628 1.505 1.00 2.940 H ATOM 1644 2HB CYS A 105 -0.475 -12.634 0.582 1.00 2.940 H ATOM 1645 N LYS A 106 -2.986 -13.441 3.525 1.00 1.720 N ATOM 1646 CA LYS A 106 -4.353 -13.990 3.484 1.00 1.780 C ATOM 1647 C LYS A 106 -5.239 -13.512 4.629 1.00 1.720 C ATOM 1648 O LYS A 106 -4.805 -13.417 5.779 1.00 1.560 O ATOM 1649 CB LYS A 106 -4.305 -15.525 3.507 1.00 2.470 C ATOM 1650 CG LYS A 106 -3.521 -16.167 2.353 1.00 2.470 C ATOM 1651 CD LYS A 106 -4.221 -16.040 1.006 1.00 2.470 C ATOM 1652 CE LYS A 106 -3.407 -16.673 -0.115 1.00 2.470 C ATOM 1653 NZ LYS A 106 -2.237 -15.797 -0.538 1.00 2.470 N ATOM 1654 H LYS A 106 -2.389 -13.480 4.357 1.00 2.060 H ATOM 1655 HA LYS A 106 -4.825 -13.658 2.563 1.00 2.140 H ATOM 1656 1HB LYS A 106 -3.847 -15.853 4.440 1.00 2.960 H ATOM 1657 2HB LYS A 106 -5.322 -15.919 3.489 1.00 2.960 H ATOM 1658 1HG LYS A 106 -2.562 -15.706 2.292 1.00 2.960 H ATOM 1659 2HG LYS A 106 -3.371 -17.221 2.571 1.00 2.960 H ATOM 1660 1HD LYS A 106 -5.200 -16.512 1.051 1.00 2.960 H ATOM 1661 2HD LYS A 106 -4.351 -14.989 0.758 1.00 2.960 H ATOM 1662 1HE LYS A 106 -3.022 -17.633 0.222 1.00 2.960 H ATOM 1663 2HE LYS A 106 -4.054 -16.833 -0.975 1.00 2.960 H ATOM 1664 1HZ LYS A 106 -1.733 -16.250 -1.283 1.00 2.960 H ATOM 1665 2HZ LYS A 106 -2.589 -14.907 -0.865 1.00 2.960 H ATOM 1666 3HZ LYS A 106 -1.572 -15.616 0.249 1.00 2.960 H ATOM 1667 N GLY A 107 -6.517 -13.282 4.333 1.00 1.940 N ATOM 1668 CA GLY A 107 -7.449 -12.796 5.345 1.00 2.000 C ATOM 1669 C GLY A 107 -7.638 -13.768 6.512 1.00 2.010 C ATOM 1670 O GLY A 107 -7.714 -14.983 6.314 1.00 2.190 O ATOM 1671 H GLY A 107 -6.836 -13.404 3.382 1.00 2.330 H ATOM 1672 1HA GLY A 107 -7.108 -11.834 5.705 1.00 2.400 H ATOM 1673 2HA GLY A 107 -8.415 -12.615 4.875 1.00 2.400 H ATOM 1674 N THR A 108 -7.783 -13.207 7.714 1.00 1.950 N ATOM 1675 CA THR A 108 -7.988 -13.955 8.953 1.00 2.120 C ATOM 1676 C THR A 108 -8.624 -13.092 10.058 1.00 2.310 C ATOM 1677 O THR A 108 -8.492 -11.863 10.059 1.00 2.230 O ATOM 1678 CB THR A 108 -6.659 -14.582 9.412 1.00 2.900 C ATOM 1679 OG1 THR A 108 -6.889 -15.348 10.602 1.00 2.900 O ATOM 1680 CG2 THR A 108 -5.590 -13.502 9.645 1.00 2.900 C ATOM 1681 H THR A 108 -7.658 -12.199 7.770 1.00 2.340 H ATOM 1682 HA THR A 108 -8.673 -14.774 8.739 1.00 2.540 H ATOM 1683 HB THR A 108 -6.304 -15.257 8.632 1.00 3.480 H ATOM 1684 HG1 THR A 108 -6.142 -15.932 10.758 1.00 3.480 H ATOM 1685 1HG2 THR A 108 -4.665 -13.971 9.954 1.00 3.480 H ATOM 1686 2HG2 THR A 108 -5.424 -12.947 8.718 1.00 3.480 H ATOM 1687 3HG2 THR A 108 -5.913 -12.829 10.397 1.00 3.480 H ATOM 1688 N GLU A 109 -9.337 -13.717 11.005 1.00 2.610 N ATOM 1689 CA GLU A 109 -9.961 -12.927 12.075 1.00 2.850 C ATOM 1690 C GLU A 109 -8.989 -12.526 13.174 1.00 2.820 C ATOM 1691 O GLU A 109 -8.420 -13.370 13.873 1.00 2.960 O ATOM 1692 CB GLU A 109 -11.135 -13.665 12.715 1.00 3.890 C ATOM 1693 CG GLU A 109 -11.852 -12.824 13.786 1.00 3.890 C ATOM 1694 CD GLU A 109 -12.996 -13.512 14.443 1.00 3.890 C ATOM 1695 OE1 GLU A 109 -13.288 -14.632 14.096 1.00 3.890 O ATOM 1696 OE2 GLU A 109 -13.591 -12.905 15.307 1.00 3.890 O ATOM 1697 H GLU A 109 -9.412 -14.725 10.989 1.00 3.130 H ATOM 1698 HA GLU A 109 -10.352 -12.013 11.631 1.00 3.420 H ATOM 1699 1HB GLU A 109 -11.862 -13.934 11.950 1.00 4.670 H ATOM 1700 2HB GLU A 109 -10.782 -14.585 13.179 1.00 4.670 H ATOM 1701 1HG GLU A 109 -11.140 -12.549 14.562 1.00 4.670 H ATOM 1702 2HG GLU A 109 -12.205 -11.899 13.321 1.00 4.670 H ATOM 1703 N VAL A 110 -8.802 -11.214 13.301 1.00 2.740 N ATOM 1704 CA VAL A 110 -7.876 -10.615 14.253 1.00 2.810 C ATOM 1705 C VAL A 110 -8.536 -9.449 15.012 1.00 3.100 C ATOM 1706 O VAL A 110 -9.182 -8.586 14.398 1.00 3.090 O ATOM 1707 CB VAL A 110 -6.611 -10.138 13.490 1.00 3.910 C ATOM 1708 CG1 VAL A 110 -5.584 -9.492 14.418 1.00 3.910 C ATOM 1709 CG2 VAL A 110 -5.983 -11.283 12.767 1.00 3.910 C ATOM 1710 H VAL A 110 -9.340 -10.608 12.669 1.00 3.290 H ATOM 1711 HA VAL A 110 -7.584 -11.378 14.975 1.00 3.370 H ATOM 1712 HB VAL A 110 -6.916 -9.424 12.774 1.00 4.690 H ATOM 1713 1HG1 VAL A 110 -4.728 -9.155 13.829 1.00 4.690 H ATOM 1714 2HG1 VAL A 110 -6.022 -8.647 14.916 1.00 4.690 H ATOM 1715 3HG1 VAL A 110 -5.251 -10.216 15.159 1.00 4.690 H ATOM 1716 1HG2 VAL A 110 -5.132 -10.929 12.212 1.00 4.690 H ATOM 1717 2HG2 VAL A 110 -5.667 -12.045 13.478 1.00 4.690 H ATOM 1718 3HG2 VAL A 110 -6.695 -11.700 12.084 1.00 4.690 H ATOM 1719 N SER A 111 -8.410 -9.445 16.343 1.00 3.420 N ATOM 1720 CA SER A 111 -8.928 -8.359 17.176 1.00 3.790 C ATOM 1721 C SER A 111 -8.147 -7.094 16.870 1.00 3.700 C ATOM 1722 O SER A 111 -6.955 -7.174 16.601 1.00 3.640 O ATOM 1723 CB SER A 111 -8.789 -8.704 18.645 1.00 5.160 C ATOM 1724 OG SER A 111 -9.553 -9.833 18.974 1.00 5.160 O ATOM 1725 H SER A 111 -7.912 -10.202 16.792 1.00 4.100 H ATOM 1726 HA SER A 111 -9.976 -8.189 16.941 1.00 4.550 H ATOM 1727 1HB SER A 111 -7.740 -8.889 18.876 1.00 6.190 H ATOM 1728 2HB SER A 111 -9.108 -7.853 19.248 1.00 6.190 H ATOM 1729 HG SER A 111 -9.422 -9.980 19.916 1.00 6.190 H ATOM 1730 N CYS A 112 -8.783 -5.928 16.933 1.00 3.830 N ATOM 1731 CA CYS A 112 -8.044 -4.694 16.702 1.00 3.880 C ATOM 1732 C CYS A 112 -7.251 -4.254 17.937 1.00 4.770 C ATOM 1733 O CYS A 112 -7.766 -4.315 19.051 1.00 5.200 O ATOM 1734 CB CYS A 112 -8.976 -3.577 16.216 1.00 5.410 C ATOM 1735 SG CYS A 112 -9.638 -3.780 14.507 1.00 5.410 S ATOM 1736 H CYS A 112 -9.764 -5.890 17.163 1.00 4.600 H ATOM 1737 HA CYS A 112 -7.365 -4.883 15.910 1.00 4.660 H ATOM 1738 1HB CYS A 112 -9.830 -3.499 16.892 1.00 6.490 H ATOM 1739 2HB CYS A 112 -8.481 -2.655 16.250 1.00 6.490 H ATOM 1740 N TRP A 113 -6.003 -3.774 17.732 1.00 5.240 N ATOM 1741 CA TRP A 113 -5.131 -3.264 18.818 1.00 6.140 C ATOM 1742 C TRP A 113 -4.777 -1.724 18.884 1.00 6.400 C ATOM 1743 O TRP A 113 -3.695 -1.396 19.390 1.00 6.690 O ATOM 1744 CB TRP A 113 -3.776 -3.982 18.797 1.00 8.240 C ATOM 1745 CG TRP A 113 -3.748 -5.473 19.006 1.00 8.240 C ATOM 1746 CD1 TRP A 113 -4.769 -6.384 19.094 1.00 8.240 C ATOM 1747 CD2 TRP A 113 -2.535 -6.228 19.152 1.00 8.240 C ATOM 1748 NE1 TRP A 113 -4.260 -7.639 19.267 1.00 8.240 N ATOM 1749 CE2 TRP A 113 -2.897 -7.564 19.306 1.00 8.240 C ATOM 1750 CE3 TRP A 113 -1.174 -5.878 19.162 1.00 8.240 C ATOM 1751 CZ2 TRP A 113 -1.953 -8.560 19.458 1.00 8.240 C ATOM 1752 CZ3 TRP A 113 -0.230 -6.875 19.313 1.00 8.240 C ATOM 1753 CH2 TRP A 113 -0.609 -8.183 19.457 1.00 8.240 C ATOM 1754 H TRP A 113 -5.639 -3.796 16.785 1.00 6.290 H ATOM 1755 HA TRP A 113 -5.622 -3.517 19.756 1.00 7.370 H ATOM 1756 1HB TRP A 113 -3.307 -3.803 17.857 1.00 9.880 H ATOM 1757 2HB TRP A 113 -3.134 -3.554 19.560 1.00 9.880 H ATOM 1758 HD1 TRP A 113 -5.823 -6.171 19.033 1.00 9.880 H ATOM 1759 HE1 TRP A 113 -4.806 -8.483 19.350 1.00 9.880 H ATOM 1760 HE3 TRP A 113 -0.865 -4.840 19.045 1.00 9.880 H ATOM 1761 HZ2 TRP A 113 -2.230 -9.608 19.576 1.00 9.880 H ATOM 1762 HZ3 TRP A 113 0.824 -6.593 19.317 1.00 9.880 H ATOM 1763 HH2 TRP A 113 0.160 -8.947 19.577 1.00 9.880 H ATOM 1764 N PRO A 114 -5.586 -0.769 18.371 1.00 6.550 N ATOM 1765 CA PRO A 114 -5.357 0.670 18.395 1.00 6.920 C ATOM 1766 C PRO A 114 -5.629 1.209 19.777 1.00 7.030 C ATOM 1767 O PRO A 114 -6.380 0.594 20.535 1.00 6.890 O ATOM 1768 CB PRO A 114 -6.434 1.186 17.451 1.00 10.380 C ATOM 1769 CG PRO A 114 -7.536 0.219 17.626 1.00 10.380 C ATOM 1770 CD PRO A 114 -6.862 -1.098 17.790 1.00 10.380 C ATOM 1771 HA PRO A 114 -4.340 0.921 18.055 1.00 8.300 H ATOM 1772 1HB PRO A 114 -6.731 2.195 17.735 1.00 12.460 H ATOM 1773 2HB PRO A 114 -6.070 1.220 16.433 1.00 12.460 H ATOM 1774 1HG PRO A 114 -8.139 0.486 18.515 1.00 12.460 H ATOM 1775 2HG PRO A 114 -8.221 0.247 16.787 1.00 12.460 H ATOM 1776 1HD PRO A 114 -7.473 -1.685 18.486 1.00 12.460 H ATOM 1777 2HD PRO A 114 -6.720 -1.528 16.800 1.00 12.460 H ATOM 1778 N ARG A 115 -5.227 2.436 20.063 1.00 7.560 N ATOM 1779 CA ARG A 115 -5.618 2.980 21.359 1.00 7.840 C ATOM 1780 C ARG A 115 -6.846 3.844 21.143 1.00 7.560 C ATOM 1781 O ARG A 115 -6.827 5.072 21.245 1.00 7.570 O ATOM 1782 CB ARG A 115 -4.497 3.803 21.968 1.00 10.860 C ATOM 1783 CG ARG A 115 -3.254 3.011 22.317 1.00 10.860 C ATOM 1784 CD ARG A 115 -2.195 3.868 22.896 1.00 10.860 C ATOM 1785 NE ARG A 115 -1.001 3.094 23.228 1.00 10.860 N ATOM 1786 CZ ARG A 115 0.129 3.594 23.776 1.00 10.860 C ATOM 1787 NH1 ARG A 115 0.227 4.879 24.057 1.00 10.860 N ATOM 1788 NH2 ARG A 115 1.144 2.782 24.031 1.00 10.860 N ATOM 1789 H ARG A 115 -4.609 2.960 19.424 1.00 9.070 H ATOM 1790 HA ARG A 115 -5.868 2.167 22.038 1.00 9.410 H ATOM 1791 1HB ARG A 115 -4.202 4.584 21.265 1.00 13.040 H ATOM 1792 2HB ARG A 115 -4.851 4.291 22.875 1.00 13.040 H ATOM 1793 1HG ARG A 115 -3.507 2.238 23.040 1.00 13.040 H ATOM 1794 2HG ARG A 115 -2.860 2.546 21.412 1.00 13.040 H ATOM 1795 1HD ARG A 115 -1.922 4.634 22.169 1.00 13.040 H ATOM 1796 2HD ARG A 115 -2.568 4.337 23.806 1.00 13.040 H ATOM 1797 HE ARG A 115 -1.026 2.102 23.033 1.00 13.040 H ATOM 1798 1HH1 ARG A 115 -0.541 5.502 23.864 1.00 13.040 H ATOM 1799 2HH1 ARG A 115 1.076 5.243 24.466 1.00 13.040 H ATOM 1800 1HH2 ARG A 115 1.070 1.796 23.817 1.00 13.040 H ATOM 1801 2HH2 ARG A 115 1.993 3.143 24.441 1.00 13.040 H ATOM 1802 N LYS A 116 -7.910 3.118 20.804 1.00 7.650 N ATOM 1803 CA LYS A 116 -9.235 3.601 20.442 1.00 7.430 C ATOM 1804 C LYS A 116 -10.288 2.626 20.941 1.00 6.820 C ATOM 1805 O LYS A 116 -10.014 1.441 21.134 1.00 6.480 O ATOM 1806 CB LYS A 116 -9.399 3.759 18.917 1.00 10.490 C ATOM 1807 CG LYS A 116 -8.465 4.768 18.221 1.00 10.490 C ATOM 1808 CD LYS A 116 -8.813 6.228 18.557 1.00 10.490 C ATOM 1809 CE LYS A 116 -7.938 7.206 17.768 1.00 10.490 C ATOM 1810 NZ LYS A 116 -8.213 8.636 18.139 1.00 10.490 N ATOM 1811 H LYS A 116 -7.739 2.107 20.821 1.00 9.180 H ATOM 1812 HA LYS A 116 -9.409 4.557 20.933 1.00 8.920 H ATOM 1813 1HB LYS A 116 -9.240 2.791 18.440 1.00 12.590 H ATOM 1814 2HB LYS A 116 -10.428 4.047 18.697 1.00 12.590 H ATOM 1815 1HG LYS A 116 -7.453 4.582 18.535 1.00 12.590 H ATOM 1816 2HG LYS A 116 -8.515 4.621 17.140 1.00 12.590 H ATOM 1817 1HD LYS A 116 -9.862 6.429 18.355 1.00 12.590 H ATOM 1818 2HD LYS A 116 -8.626 6.400 19.616 1.00 12.590 H ATOM 1819 1HE LYS A 116 -6.894 6.987 17.973 1.00 12.590 H ATOM 1820 2HE LYS A 116 -8.125 7.072 16.702 1.00 12.590 H ATOM 1821 1HZ LYS A 116 -7.613 9.246 17.600 1.00 12.590 H ATOM 1822 2HZ LYS A 116 -9.179 8.861 17.946 1.00 12.590 H ATOM 1823 3HZ LYS A 116 -8.027 8.767 19.126 1.00 12.590 H ATOM 1824 N ARG A 117 -11.493 3.121 21.162 1.00 7.000 N ATOM 1825 CA ARG A 117 -12.593 2.251 21.541 1.00 6.880 C ATOM 1826 C ARG A 117 -13.408 1.788 20.345 1.00 6.380 C ATOM 1827 O ARG A 117 -13.740 2.590 19.478 1.00 6.890 O ATOM 1828 CB ARG A 117 -13.518 2.960 22.518 1.00 9.680 C ATOM 1829 CG ARG A 117 -14.707 2.142 22.951 1.00 9.680 C ATOM 1830 CD ARG A 117 -15.488 2.780 23.992 1.00 9.680 C ATOM 1831 NE ARG A 117 -16.682 2.006 24.265 1.00 9.680 N ATOM 1832 CZ ARG A 117 -17.653 2.344 25.133 1.00 9.680 C ATOM 1833 NH1 ARG A 117 -17.568 3.458 25.834 1.00 9.680 N ATOM 1834 NH2 ARG A 117 -18.699 1.549 25.276 1.00 9.680 N ATOM 1835 H ARG A 117 -11.656 4.108 21.030 1.00 8.400 H ATOM 1836 HA ARG A 117 -12.183 1.370 22.035 1.00 8.260 H ATOM 1837 1HB ARG A 117 -12.964 3.244 23.409 1.00 11.620 H ATOM 1838 2HB ARG A 117 -13.901 3.871 22.060 1.00 11.620 H ATOM 1839 1HG ARG A 117 -15.382 2.023 22.107 1.00 11.620 H ATOM 1840 2HG ARG A 117 -14.389 1.162 23.302 1.00 11.620 H ATOM 1841 1HD ARG A 117 -14.897 2.841 24.904 1.00 11.620 H ATOM 1842 2HD ARG A 117 -15.779 3.774 23.671 1.00 11.620 H ATOM 1843 HE ARG A 117 -16.799 1.139 23.741 1.00 11.620 H ATOM 1844 1HH1 ARG A 117 -16.770 4.067 25.728 1.00 11.620 H ATOM 1845 2HH1 ARG A 117 -18.301 3.705 26.484 1.00 11.620 H ATOM 1846 1HH2 ARG A 117 -18.758 0.696 24.735 1.00 11.620 H ATOM 1847 2HH2 ARG A 117 -19.436 1.788 25.923 1.00 11.620 H ATOM 1848 N CYS A 118 -13.745 0.500 20.333 1.00 5.630 N ATOM 1849 CA CYS A 118 -14.651 -0.067 19.341 1.00 5.380 C ATOM 1850 C CYS A 118 -16.016 -0.150 19.997 1.00 5.530 C ATOM 1851 O CYS A 118 -16.107 -0.226 21.227 1.00 5.510 O ATOM 1852 CB CYS A 118 -14.225 -1.459 18.860 1.00 7.630 C ATOM 1853 SG CYS A 118 -12.648 -1.538 17.934 1.00 7.630 S ATOM 1854 H CYS A 118 -13.378 -0.098 21.058 1.00 6.760 H ATOM 1855 HA CYS A 118 -14.726 0.607 18.486 1.00 6.460 H ATOM 1856 1HB CYS A 118 -14.139 -2.121 19.718 1.00 9.160 H ATOM 1857 2HB CYS A 118 -15.000 -1.860 18.232 1.00 9.160 H ATOM 1858 N PHE A 119 -17.071 -0.183 19.197 1.00 6.120 N ATOM 1859 CA PHE A 119 -18.419 -0.244 19.755 1.00 6.690 C ATOM 1860 C PHE A 119 -19.277 -1.438 19.303 1.00 7.160 C ATOM 1861 O PHE A 119 -20.207 -1.247 18.514 1.00 7.490 O ATOM 1862 CB PHE A 119 -19.120 1.064 19.405 1.00 9.140 C ATOM 1863 CG PHE A 119 -18.404 2.267 19.992 1.00 9.140 C ATOM 1864 CD1 PHE A 119 -17.379 2.900 19.293 1.00 9.140 C ATOM 1865 CD2 PHE A 119 -18.753 2.765 21.235 1.00 9.140 C ATOM 1866 CE1 PHE A 119 -16.722 3.979 19.823 1.00 9.140 C ATOM 1867 CE2 PHE A 119 -18.101 3.860 21.762 1.00 9.140 C ATOM 1868 CZ PHE A 119 -17.082 4.465 21.056 1.00 9.140 C ATOM 1869 H PHE A 119 -16.899 -0.130 18.186 1.00 7.340 H ATOM 1870 HA PHE A 119 -18.336 -0.252 20.836 1.00 8.030 H ATOM 1871 1HB PHE A 119 -19.157 1.184 18.320 1.00 10.970 H ATOM 1872 2HB PHE A 119 -20.145 1.051 19.776 1.00 10.970 H ATOM 1873 HD1 PHE A 119 -17.079 2.525 18.303 1.00 10.970 H ATOM 1874 HD2 PHE A 119 -19.556 2.287 21.797 1.00 10.970 H ATOM 1875 HE1 PHE A 119 -15.914 4.443 19.255 1.00 10.970 H ATOM 1876 HE2 PHE A 119 -18.388 4.246 22.738 1.00 10.970 H ATOM 1877 HZ PHE A 119 -16.564 5.326 21.474 1.00 10.970 H ATOM 1878 N PRO A 120 -19.020 -2.664 19.807 1.00 7.560 N ATOM 1879 CA PRO A 120 -19.716 -3.896 19.466 1.00 8.360 C ATOM 1880 C PRO A 120 -21.149 -3.885 19.965 1.00 9.010 C ATOM 1881 O PRO A 120 -21.445 -3.256 20.981 1.00 9.350 O ATOM 1882 CB PRO A 120 -18.885 -4.970 20.175 1.00 12.540 C ATOM 1883 CG PRO A 120 -18.206 -4.249 21.311 1.00 12.540 C ATOM 1884 CD PRO A 120 -17.937 -2.857 20.793 1.00 12.540 C ATOM 1885 HA PRO A 120 -19.695 -4.052 18.385 1.00 10.030 H ATOM 1886 1HB PRO A 120 -19.555 -5.776 20.526 1.00 15.050 H ATOM 1887 2HB PRO A 120 -18.181 -5.427 19.469 1.00 15.050 H ATOM 1888 1HG PRO A 120 -18.866 -4.245 22.194 1.00 15.050 H ATOM 1889 2HG PRO A 120 -17.287 -4.777 21.602 1.00 15.050 H ATOM 1890 1HD PRO A 120 -18.012 -2.172 21.640 1.00 15.050 H ATOM 1891 2HD PRO A 120 -16.956 -2.816 20.303 1.00 15.050 H ATOM 1892 N GLY A 121 -22.022 -4.602 19.266 1.00 9.440 N ATOM 1893 CA GLY A 121 -23.410 -4.750 19.676 1.00 10.300 C ATOM 1894 C GLY A 121 -23.582 -5.959 20.584 1.00 10.500 C ATOM 1895 O GLY A 121 -22.601 -6.595 20.978 1.00 11.090 O ATOM 1896 H GLY A 121 -21.705 -5.070 18.428 1.00 11.330 H ATOM 1897 1HA GLY A 121 -23.737 -3.850 20.198 1.00 12.360 H ATOM 1898 2HA GLY A 121 -24.042 -4.860 18.796 1.00 12.360 H ATOM 1899 N SER A 122 -24.834 -6.279 20.890 1.00 10.200 N ATOM 1900 CA SER A 122 -25.177 -7.398 21.754 1.00 10.640 C ATOM 1901 C SER A 122 -26.640 -7.769 21.563 1.00 11.040 C ATOM 1902 O SER A 122 -27.299 -8.188 22.517 1.00 11.260 O ATOM 1903 OXT SER A 122 -27.224 -7.295 20.588 1.00 15.960 O ATOM 1904 CB SER A 122 -24.942 -7.051 23.209 1.00 14.100 C ATOM 1905 OG SER A 122 -25.318 -8.123 24.027 1.00 14.100 O ATOM 1906 H SER A 122 -25.585 -5.717 20.518 1.00 12.240 H ATOM 1907 HA SER A 122 -24.559 -8.256 21.484 1.00 12.770 H ATOM 1908 1HB SER A 122 -23.888 -6.820 23.365 1.00 16.920 H ATOM 1909 2HB SER A 122 -25.518 -6.166 23.474 1.00 16.920 H ATOM 1910 HG SER A 122 -26.283 -8.214 23.886 1.00 16.920 H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE model01_0001.pdb label fa_atr fa_rep fa_sol fa_intra_atr_xover4 fa_intra_rep_xover4 fa_intra_sol_xover4 lk_ball lk_ball_iso lk_ball_bridge lk_ball_bridge_uncpl fa_elec fa_intra_elec hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_fa13 omega fa_dun_dev fa_dun_rot fa_dun_semi p_aa_pp hxl_tors ref rama_prepro cart_bonded total weights 1 0.55 1 1 0.55 1 0.92 -0.38 -0.33 -0.33 1 1 1 1 1 1 1.25 0.48 0.69 0.76 0.78 0.61 1 1 0.5 0.5 NA pose -658.403 83.5642 488.249 -39.9193 11.8083 28.2807 241.984 -260.299 -0.61842 -4.48584 -200.776 -31.2638 -68.8978 -12.6846 -15.8585 -16.9819 -3.78901 22.3977 9.66323 79.9501 76.4565 -18.1971 32.3129 -11.1681 12.8136 137.72 -118.142 CYS:NtermProteinFull:disulfide_1 -6.14612 0.69177 4.3098 -0.06255 0.01741 0.02314 2.65725 -2.24682 -0.00063 -0.00345 -1.00134 0.26056 0 0 -0.72386 0 -0.4769 0.12102 0.05786 0.24181 0 0 0 3.6196 0 0.14904 1.4876 VAL_2 -7.89967 1.30212 2.46152 -0.284 0.15948 0.04848 2.38298 -2.28226 -0 -0 -1.96679 0.4188 0 0 -0.78824 0 0 -0.08245 0.10422 0.55658 0 0.3801 0 1.9342 -0.14204 0.42574 -3.27122 PHE_3 -5.6428 0.75463 3.83477 -0.99956 0.13811 0.43144 1.20506 -2.15453 -0 -0 -0.0982 0.06957 0 0 0 0 0 -0.01407 0.00967 0 1.85756 -0.1611 0 1.0402 0.10691 0.4294 0.80706 CYS:disulfide_4 -5.20229 0.86968 3.76776 -0.0448 0.00057 0.01975 1.60198 -1.76382 -0 -0 -1.29647 -0.38627 0 0 -0.57939 0 -0.56172 0.11808 0.00143 0.36153 0 0.31796 0 3.6196 0.31474 0.50963 1.66794 ARG_5 -4.87113 1.18663 4.77009 -0.87336 0.2197 0.67736 2.19765 -2.06625 -0.02449 -0.17249 -3.31946 -0.31275 0 0 -0.57939 -0.87268 0 0.15362 0.01193 2.734 0 -0.17569 0 -1.2888 0.54084 1.13316 -0.93154 LEU_6 -5.46105 0.53965 1.16306 -0.52096 0.28345 0.17528 0.48716 -1.27807 -0.00011 -0.00292 -0.45886 0.04793 0 0 0 0 0 0.2327 0.07465 0.47138 0 -0.03647 0 0.18072 1.62456 2.50311 0.0252 PRO_7 -2.33082 0.81613 2.04585 -0.22572 0.04368 0.16726 0.59758 -0.87831 -0.00073 -0.01471 -1.32624 -0.12852 0 0 0 0 0 0.0165 0.01653 0.33375 0 -0.80978 0 -2.4119 1.01413 2.30723 -0.76809 ALA_8 -2.54271 0.26717 0.76241 -0.02956 0.00663 0 0.83032 -0.82862 -0 -0 -0.75435 -0.48668 0 0 0 0 0 -0.04563 0 0 0 0.2123 0 1.8394 0.33669 0.9532 0.52056 HIS_9 -3.23051 0.4325 3.41914 -0.6465 0.13263 0.64486 0.67663 -1.60367 -0 -0 -0.89418 -0.26544 0 0 0 0 0 0.02196 0.00026 0 2.80445 -0.25378 0 -0.45461 0.82966 0.40618 2.01958 ASP_10 -1.975 0.15466 2.35801 -0.12306 0.01971 0.38673 0.69266 -1.11248 -0 -0 -1.12923 -0.78487 0 0 0 0 0 -0.02723 0.01622 0 2.53477 -0.59245 0 -2.3716 0.09362 0.15193 -1.70762 LEU_11 -7.28316 0.9553 2.17105 -0.50032 0.25348 0.09587 0.53321 -2.01759 -0 -0 0.09879 0.23577 0 0 0 0 0 0.08664 0.05756 0.44124 0 -0.37912 0 0.18072 -0.41395 0.39108 -5.09344 SER_12 -3.19889 0.20393 4.26751 -0.02992 0 0.06916 2.50569 -1.95533 -0.01087 -0.07636 -2.51298 -0.4293 0 0 0 0 0 0.06842 0.00678 0.15999 0 -0.44022 0.60338 -0.77834 -0.44331 0.53956 -1.45111 GLY_13 -2.15034 0.13182 2.54943 -4e-05 0 0 1.30758 -1.31765 -0 -0 -0.96639 -0.40958 0 0 0 0 0 -0.14858 0 0 0 0.38923 0 0.83697 -0.06127 0.26618 0.42736 ARG_14 -4.46881 0.35739 5.03523 -0.4565 0.05764 0.2343 2.14485 -2.14557 -0.0083 -0.09346 -1.96455 0.39751 0 0 0 -0.70507 0 0.00034 0.00445 2.05056 0 -0.13821 0 -1.2888 -0.00993 0.25668 -0.74026 LEU_15 -8.87402 0.92773 4.61287 -0.50475 0.26714 0.12235 2.58629 -2.8444 -0 -0 -1.66801 0.16131 0 0 0 0 0 0.24151 0.0134 0.29099 0 -0.27925 0 0.18072 -0.28344 0.41794 -4.63163 ALA_16 -5.03103 0.17493 3.91857 -0.02042 0 0 2.25695 -2.4842 -0 -0 -2.34612 -0.38638 0 0 0 0 0 0.13744 0 0 0 -0.22237 0 1.8394 -0.24989 0.40549 -2.00762 ARG_17 -5.65884 0.32181 5.96083 -0.77085 0.17769 0.52237 2.7478 -2.80448 -0.021 -0.16544 -2.57929 0.25409 0 0 0 0 0 -0.00246 0.12323 2.69453 0 -0.03172 0 -1.2888 -0.28669 0.34269 -0.46453 LEU_18 -8.55172 0.90732 3.95363 -0.49447 0.28726 0.12033 2.61099 -2.87093 -0 -0 -1.91615 0.23635 0 0 0 0 0 0.02885 0.10285 0.30718 0 -0.28273 0 0.18072 -0.25455 0.36918 -5.2659 CYS_19 -6.17613 0.30222 4.7906 -0.04551 0 0.01532 2.79941 -2.49072 -0 -0 -2.87044 -0.01017 0 0 0 0 0 0.04499 0.01678 0.30363 0 0.27127 0 3.6196 0.03101 0.35417 0.95603 SER_20 -4.05181 0.18893 5.01378 -0.02878 0 0.06635 2.52062 -2.41875 -0 -0 -2.16428 -0.54553 0 0 0 0 0 0.01378 0.00438 0.76488 0 0.32671 0.60119 -0.77834 0.2836 0.19654 -0.00671 GLN_21 -7.46295 0.81182 7.0647 -0.63734 0.07107 0.65494 3.56357 -3.45529 -0.01013 -0.08908 -3.08107 -0.32484 0 0 0 -0.67685 0 0.22259 0.04963 0 2.8296 -0.24585 0 -0.18838 -0.1116 0.48933 -0.52615 MET_22 -9.89439 0.63427 5.89999 -0.90927 0.24244 0.38366 3.34157 -3.1833 -0 -0 -2.59958 -0.50153 0 0 0 0 0 0.12787 0.42423 3.37007 0 0.024 0 0.60916 -0.2161 0.78187 -1.46503 GLU_23 -6.33152 0.63259 6.53976 -0.33709 0.07972 0.39624 2.90058 -3.07157 -0.00011 -0.00292 -2.47862 -0.6057 0 0 0 0 0 0.02461 0.01544 0 3.4818 -0.21538 0 -2.7348 -0.29749 0.54258 -1.46187 ALA_24 -4.57387 0.37307 3.975 -0.02354 0 0 1.84631 -2.29655 -0 -0 -0.84331 -0.40277 0 0 0 0 0 0.09555 0 0 0 -0.41236 0 1.8394 -0.57883 0.37785 -0.62405 ARG_25 -8.51083 0.66624 7.65108 -0.75859 0.37463 0.58179 3.50494 -3.46996 -0.00051 -0.00567 -2.63478 0.35276 0 0 0 -0.67685 0 0.02437 0.09568 3.49993 0 -0.11376 0 -1.2888 -0.36622 0.45048 -0.62406 GLN_26 -7.8891 1.24338 7.15498 -0.88501 0.16588 0.97962 4.64051 -3.451 -0 -0 -4.82998 -1.09812 0 0 -1.5121 0 0 -0.07699 0.0199 0 3.29969 -0.22472 0 -0.18838 -0.22852 0.6365 -2.24348 LYS_27 -4.81683 0.7632 5.12347 -0.31461 0.02987 0.15897 2.06092 -2.32658 -0.0113 -0.072 -2.54537 -0.0467 0 0 0 0 0 -0.03882 0.04447 1.63257 0 -0.01662 0 -1.5107 0.19652 0.67577 -1.01378 GLU_28 -3.46067 0.68341 5.33828 -0.21715 0.02284 0.299 3.23542 -2.31673 -0 -0 -2.87747 -0.62373 0 0 0 -0.75781 0 -0.09106 0.03345 0 3.17972 -0.32783 0 -2.7348 0.03643 0.58153 0.00283 CYS_29 -6.47486 1.06724 4.40847 -0.08673 0.00522 0.06209 2.19732 -2.14484 -0.01838 -0.18148 -1.18015 -0.01744 0 0 0 0 0 0.47981 0.02153 0.63735 0 0.18985 0 3.6196 -0.22632 0.60416 2.96245 GLY_30 -2.00248 0.31762 2.58806 -5e-05 0 0 1.0681 -1.27005 -0 -3e-05 -0.83104 -0.45239 0 0 0 0 0 0.36959 0 0 0 0.46121 0 0.83697 0.24764 0.5132 1.84636 ALA_31 -2.6255 0.72419 3.15236 -0.02408 0 0 1.85527 -1.62198 -0.0113 -0.072 -0.51298 -0.1892 0 0 0 0 0 0.19847 0 0 0 -0.15599 0 1.8394 -0.23609 0.86889 3.18947 SER_32 -1.36947 0.63699 1.42779 -0.0296 0.00246 0.02526 0.1898 -0.71619 -0 -0 -0.22995 -0.36629 0 0 0 0 0 -0.02776 0.00196 0.75592 0 0.20884 0.60058 -0.77834 -0.07379 1.37651 1.63469 PRO_33 -5.36053 0.9249 2.66616 -0.12393 0.00077 0.09245 1.19348 -1.17472 -0 -0 -0.17122 0.24484 0 0 0 0 0 0.18324 0.05959 0.28467 0 -1.06779 0 -2.4119 -0.08522 0.94728 -3.79793 ASP_34 -4.1286 0.5245 6.11919 -0.15728 0.00149 0.47083 3.53461 -2.73676 -0 -1e-05 -5.95906 -0.78119 0 0 -0.91798 -1.01302 0 -0.02866 0.00867 0 2.98628 0.02335 0 -2.3716 -0.67242 0.68339 -4.41428 PHE_35 -11.1537 2.60346 3.58097 -1.17592 0.26809 0.51913 3.59861 -3.09822 -0 -0 -2.58605 0.07384 0 0 0 0 0 -0.06853 0.18632 0 1.77593 -0.23781 0 1.0402 0.01629 0.97501 -3.68234 SER_36 -6.08925 0.61833 5.76134 -0.03625 0.00026 0.04082 2.84855 -2.91252 -3e-05 -0.00078 -2.94074 -0.3888 0 0 -0.91798 -0.62874 0 0.04984 0.10584 0.24555 0 0.03029 1.75118 -0.77834 0.02735 0.75779 -2.45631 ALA_37 -5.19132 0.58547 3.25461 -0.02276 0 0 2.22037 -2.23277 -0.00332 -0.01419 -0.05362 -0.3695 0 0 0 0 0 0.0327 0 0 0 -0.13026 0 1.8394 -0.45657 0.29745 -0.24431 PHE_38 -9.95408 1.48707 4.78302 -0.52164 0.01346 0.19789 2.97826 -3.31173 -0 -0 -2.08181 -0.0274 0 0 0 0 0 0.01785 0.07739 0 2.61357 -0.09639 0 1.0402 -0.13706 0.63806 -2.28333 ALA_39 -5.89469 1.36158 2.00905 -0.02238 0 0 1.73996 -2.21343 -0 -1e-05 -1.22381 -0.37997 0 0 0 0 0 -0.00573 0 0 0 -0.32281 0 1.8394 -0.26473 0.99382 -2.38374 LEU_40 -8.71243 1.02788 3.32509 -0.49303 0.21748 0.10419 1.71232 -2.55001 -0.00257 -0.01196 -0.15837 0.24924 0 0 0 0 0 0.10331 0.13693 0.38391 0 -0.15832 0 0.18072 -0.49413 0.8484 -4.29134 ASP_41 -5.68045 0.60147 7.11787 -0.21035 0.02857 0.71912 3.27818 -3.2546 -0 -0 -3.0816 -0.86106 0 0 -0.43786 -0.46785 0 -0.05231 0.07365 0 1.63571 -0.60129 0 -2.3716 -0.27483 0.84634 -2.99292 GLU_42 -4.81781 0.79943 5.16196 -0.36482 0.14115 0.46363 2.33712 -2.43172 -0.02668 -0.17707 -1.65144 -0.60197 0 0 -0.44787 -1.49579 0 0.57634 0.02915 0 4.41762 -0.21215 0 -2.7348 -0.26123 0.80247 -0.49448 VAL_43 -2.63503 0.22191 3.4504 -0.29816 0.15918 0.06771 0.83366 -1.5631 -0 -0 -0.4525 -0.22646 0 0 -0.26266 0 0 0.29623 0.00012 0.24241 0 -0.16774 0 1.9342 -0.29277 1.00413 2.3115 SER_44 -5.78201 1.57337 6.65234 -0.02856 8e-05 0.02088 2.8169 -3.13219 -0 -0 -0.41264 0.18236 0 0 -0.43786 -0.46785 0 3.24344 0.20956 1.94193 0 0.23498 1.73516 -0.77834 1.21401 15.3431 24.1286 MET_45 -9.74041 1.04999 4.45816 -0.3565 0.09367 0.14796 1.98573 -2.5103 -0 -0 -0.86293 0.08562 0 0 -0.45162 0 0 0.10136 0.04 1.45029 0 0.15121 0 0.60916 2.26124 15.324 13.8366 ASN_46 -5.92274 1.12053 6.98707 -0.17894 0.01496 0.26769 2.92738 -3.30895 -0.01186 -0.08886 -2.28173 -0.33196 0 0 -0.71053 0 0 0.05063 0.07384 0 2.10317 0.2416 0 -0.93687 1.48831 1.11838 2.62111 LYS_47 -4.2812 0.30435 4.53244 -0.43607 0.11697 0.15242 2.34667 -2.1154 -0 -4e-05 -2.6709 0.03424 0 0 0 -0.77478 0 -0.04762 0.05543 2.59941 0 -0.05426 0 -1.5107 0.29742 0.60923 -0.84241 VAL_48 -7.47577 0.77957 2.676 -0.38305 0.33211 0.09754 1.9267 -2.48269 -0 -0 0.38661 -0.25242 0 0 0 0 0 -0.01996 0.01056 0.86847 0 0.39661 0 1.9342 -0.38591 0.29724 -1.29421 THR_49 -7.79647 1.38682 5.92286 -0.18845 0.0782 0.06437 3.45085 -3.38737 -0.02439 -0.16123 -2.8799 -0.00187 0 0 -0.45162 0 0 0.13395 0.03846 0.18908 0 0.00915 2.73611 -1.0874 0.13595 0.95993 -0.87297 GLU_50 -5.5137 0.35643 6.70345 -0.2126 0.02238 0.28053 3.27223 -2.9432 -0 -4e-05 -4.08159 -0.62102 0 0 0 -0.96379 0 0.01137 0.06274 0 3.13435 -0.34204 0 -2.7348 -0.09592 1.04392 -2.6213 LYS_51 -6.1108 0.65364 4.617 -0.62483 0.24156 0.38929 1.92991 -2.39947 -0.00267 -0.01881 -1.04668 0.10586 0 0 0 0 0 -0.00094 0.15502 3.18782 0 -0.07933 0 -1.5107 -0.44343 0.80165 -0.1559 THR_52 -7.55678 1.46685 4.74272 -0.14525 0.07926 0.10054 3.2066 -2.91148 -0.02324 -0.11621 -2.412 -0.52361 0 0 0 0 0 -0.04839 1.08126 1.58792 0 0.02416 2.33666 -1.0874 0.0574 0.97597 0.83497 HIS_D_53 -6.3513 0.56305 5.96766 -0.64957 0.01177 0.6719 3.05863 -2.90668 -0 -0 -2.87289 -0.34354 0 0 0 -0.9305 0 -0.01777 0.0817 0 1.71192 -0.06863 0 -0.45461 0.11725 0.6672 -1.74442 ARG_54 -4.80441 0.36747 5.06187 -0.61695 0.09588 0.36644 2.04373 -2.30973 -0 -0 -3.24951 0.13733 0 0 0 -0.96379 0 -0.12431 0.0353 2.47831 0 -0.04622 0 -1.2888 -0.06588 0.6311 -2.25219 VAL_55 -7.39082 1.26929 3.73032 -0.24752 0.14014 0.03985 2.81691 -2.8067 -0.00613 -0.08662 -1.64897 0.00187 0 0 0 0 0 0.05918 0.01319 1.05011 0 -0.42123 0 1.9342 0.09352 0.72547 -0.73394 LEU_56 -8.98448 1.11111 4.12822 -0.4729 0.20091 0.1111 2.66793 -2.90339 -0 -0 -1.86217 0.20595 0 0 0 0 0 0.1784 0.01007 0.3146 0 -0.31035 0 0.18072 -0.04112 0.52863 -4.93674 ARG_57 -7.50811 0.66047 5.91305 -0.56036 0.06334 0.33621 3.08605 -3.09338 -0.03628 -0.19774 -2.82768 0.14438 0 0 0 -0.9305 0 0.00407 0.68164 2.85204 0 -0.15284 0 -1.2888 -0.41773 0.40217 -2.86998 VAL_58 -5.91281 0.50859 5.34198 -0.31152 0.21078 0.07078 2.68178 -2.82113 -0 -0 -1.30286 -0.19626 0 0 0 0 0 0.03946 0.00187 0.11443 0 -0.29603 0 1.9342 -0.3232 0.3604 0.10045 MET_59 -9.45491 1.09221 6.16996 -0.82375 0.45346 0.44975 2.7929 -3.36948 -0 -0 -1.91746 -0.17066 0 0 0 0 0 -0.02128 0.1037 2.61159 0 0.08307 0 0.60916 0.2324 0.69553 -0.46382 GLU_60 -6.65638 0.37444 6.98567 -0.65975 0.05186 1.24377 2.73222 -3.04358 -0.01303 -0.08154 -2.20508 -0.66211 0 0 0 -0.70507 0 -0.03813 0.09506 0 4.29998 -0.17506 0 -2.7348 0.07232 0.87518 -0.24403 ILE_61 -4.55065 0.31986 4.29452 -0.4955 0.34243 0.10125 1.79724 -2.07169 -0 -0 -0.55599 0.04247 0 0 0 0 0 -0.05208 0.07704 0.63184 0 -0.36038 0 0.73287 -0.2557 0.49554 0.49306 LYS_62 -3.96075 0.25321 3.60515 -0.32829 0.04932 0.18546 1.26811 -1.79964 -0 -0 -1.13559 -0.16806 0 0 0 0 0 -0.03181 0.00801 1.73609 0 -0.05932 0 -1.5107 -0.27619 0.35654 -1.80843 GLU_63 -3.20549 0.29876 3.63671 -0.23501 0.04694 0.38769 1.91157 -1.76774 -0.00874 -0.10038 -1.99909 -0.47142 0 0 0 0 0 -0.06508 0.00392 0 2.71141 0.0298 0 -2.7348 -0.27968 0.40703 -1.4336 ALA_64 -4.35668 0.57572 3.96964 -0.02985 0.0064 0 1.81261 -2.13272 -0 -0 -1.74317 -0.53217 0 0 0 0 0 0.25051 0 0 0 -0.08625 0 1.8394 0.1789 0.44224 0.1946 VAL_65 -3.71531 0.53699 3.07576 -0.31897 0.23928 0.07335 1.6057 -1.63363 -0 -0 -1.5823 -0.22323 0 0 0 0 0 -0.06393 0.00466 0.20019 0 -0.15446 0 1.9342 0.08605 0.41775 0.48212 SER_66 -1.76539 0.132 2.13826 -0.0299 0.00014 0.04976 0.43141 -1.02327 -0.0037 -0.03933 0.22966 -0.97818 0 0 0 0 0 -0.08999 0.00699 0.15666 0 -0.30666 0.63176 -0.77834 -0.42909 0.24239 -1.42483 SER_67 -3.66921 0.79815 4.02517 -0.02801 0.00509 0.02622 2.35243 -1.93255 -0.00326 -0.03241 -1.7276 -0.0739 0 0 0 0 0 0.04705 0.01033 0.58453 0 -0.21264 0.62438 -0.77834 -0.57607 0.23556 -0.32508 LEU_68 -7.60912 1.84556 3.21802 -0.73345 0.51336 0.35054 2.70369 -2.39302 -0 -0 -2.27659 0.09391 0 0 0 0 0 0.00211 0.32254 0.84941 0 -0.17365 0 0.18072 0.6577 1.68478 -0.76349 PRO_69 -4.24552 0.73549 3.12658 -0.07035 0 0.04355 1.36779 -1.44191 -0 -0 -2.05271 0.59721 0 0 0 0 0 -0.07687 0.0158 0.23612 0 -0.78094 0 -2.4119 1.10941 1.86415 -1.98411 SER_70 -4.04897 0.88536 3.6766 -0.07898 0.02085 0.11546 1.85001 -1.904 -0 -0 -0.56542 -1.34167 0 0 0 0 0 14.186 0.04092 0.23376 0 0.13151 1.82916 -0.77834 1.31036 10.1645 25.7271 TYR_71 -7.88074 1.0939 3.20329 -0.69761 0.10571 0.43754 1.83044 -2.39372 -0.00613 -0.08662 -0.79373 -0.10919 0 0 0 0 0 0.04093 0.2349 0 2.002 -0.26676 0.05433 1.2797 0.87589 11.141 10.0652 TRP_72 -12.1186 1.09025 6.09534 -0.65673 0.13124 0.31862 2.67928 -3.77683 -0 -0 -1.9705 -0.33562 0 0 0 0 0 0.06346 0.15141 0 3.25907 -0.18649 0 1.6906 -0.30509 1.62313 -2.24749 SER_73 -4.43863 0.25001 5.26735 -0.02894 0 0.06615 2.41456 -2.38 -0.01246 -0.0776 -2.14135 -0.5628 0 0 0 0 0 -0.03207 0.00019 0.88492 0 0.31377 0.60177 -0.77834 -0.03081 0.36389 -0.32039 TRP_74 -6.8457 0.51952 5.5675 -1.26549 0.04405 0.55167 2.82783 -2.80237 -0 -0 -1.72537 -0.35013 0 0 0 0 0 -0.00647 0.33234 0 1.79373 -0.47575 0 1.6906 0.33641 0.29046 0.48282 LEU_75 -8.12583 1.3225 3.98442 -0.75395 0.61149 0.35402 2.16514 -2.7018 -0.01858 -0.07032 -0.02986 0.06487 0 0 0 0 0 0.03527 0.02212 1.26622 0 -0.2812 0 0.18072 0.22257 0.77905 -0.97314 ARG_76 -5.27117 0.27143 6.09643 -0.50848 0.0716 0.2692 2.35832 -2.53002 -0 -0 -3.34224 0.37993 0 0 0 -0.75781 0 0.04564 0.09277 2.2891 0 -0.20928 0 -1.2888 -0.04474 1.1619 -0.91622 LYS_77 -3.5258 0.26108 5.01004 -0.31004 0.03887 0.14626 1.92445 -2.11788 -0 -0 -2.27439 -0.03283 0 0 -0.33428 0 0 -0.01411 0.00658 2.01401 0 -0.04902 0 -1.5107 0.15542 0.88099 0.26866 THR_78 -5.15751 0.29265 4.78403 -0.1775 0.09396 0.06169 2.31 -2.33257 -0.01246 -0.0776 -2.11275 0.19843 0 0 0 0 0 -0.06592 0.00296 0.06666 0 0.03915 2.31962 -1.0874 -0.09527 0.58781 -0.36201 LYS_79 -4.27533 0.20397 3.91868 -0.61933 0.19249 0.67843 1.38756 -1.74892 -0.01858 -0.07032 -2.74783 -0.01914 0 0 -0.33428 0 0 0.01474 0.20513 2.04814 0 0.01512 0 -1.5107 -0.26634 0.44295 -2.50357 LEU_80 -7.60406 1.25343 3.12427 -0.47857 0.1322 0.08897 1.77217 -2.05728 -0 -0 -0.79904 0.3439 0 0 0 0 0 0.40687 0.06388 0.33964 0 -0.19864 0 0.18072 -0.35121 1.26776 -2.51498 PRO_81 -2.88963 0.43525 2.99009 -0.06527 0 0.04132 1.71492 -1.2068 -0 -0 -1.7184 0.63069 0 0 0 0 0 -0.08839 0.01825 0.18859 0 -0.18814 0 -2.4119 -0.24969 1.42288 -1.37626 GLU_82 -5.31708 0.80062 5.19492 -0.44848 0.1135 1.34385 2.56009 -2.34323 -0 -0 -2.69692 -2.9026 0 0 0 -0.77478 0 -0.09063 0.10121 0 3.92843 -0.20987 0 -2.7348 0.29656 0.69123 -2.48799 TYR_83 -9.25084 1.42172 3.41683 -0.56344 0.03789 0.26131 2.25525 -2.50563 -0 -0 -1.63078 -0.31563 0 0 0 0 0 -0.07562 0.43855 0 2.47999 0.04438 0.04294 1.2797 0.06363 0.69807 -1.90171 THR_84 -4.95382 0.44591 4.81085 -0.18165 0.0731 0.06715 3.35832 -2.60339 -6e-05 -0.00069 -3.67924 0.13245 0 0 0 0 0 -0.02799 0.01133 0.0313 0 0.08644 2.29745 -1.0874 -0.2 0.56841 -0.85152 ARG_85 -7.87321 0.857 6.39378 -0.65949 0.08668 0.3998 2.59203 -2.80887 -0.0189 -0.09555 -1.87022 0.24538 0 0 -0.12041 -0.38428 0 -0.02725 0.20915 1.44657 0 -0.13156 0 -1.2888 -0.2516 0.83784 -2.46193 GLU_86 -6.57109 0.4752 6.14843 -0.48439 0.28263 1.50183 2.02386 -2.67383 -0 -0 -2.70642 -2.7871 0 0 -1.09741 0 0 -0.04922 0.11214 0 3.79121 -0.23805 0 -2.7348 -0.56838 0.79513 -4.78028 ALA_87 -3.48501 0.33115 2.73916 -0.02198 0 0 1.31411 -1.61997 -0 -0 -0.45886 -0.34568 0 0 0 0 0 -0.04454 0 0 0 0.22263 0 1.8394 -0.15028 0.38214 0.70229 LEU_88 -7.40831 1.21713 2.57308 -0.5088 0.32587 0.12416 1.77181 -2.28781 -0 -0 -0.50188 0.22162 0 0 0 0 0 0.43759 0.19337 0.27337 0 -0.26108 0 0.18072 0.03599 0.60642 -3.00674 CYS:disulfide_89 -5.34668 0.77226 3.32239 -0.04775 0.02363 0.02394 1.50487 -1.6811 -6e-05 -0.00069 -1.0653 -0.35642 0 0 0 0 -0.3199 0.11627 0.14652 0.58458 0 -0.2668 0 3.6196 0.00042 1.09001 2.1198 PRO_90 -4.80184 1.50048 3.4957 -0.22826 0.03803 0.16914 2.18853 -1.61255 -0 -0 -1.93973 -0.21596 0 0 0 0 0 0.17047 0.02311 0.38729 0 -0.91938 0 -2.4119 -0.07833 1.96132 -2.27387 PRO_91 -4.06569 0.56454 2.18556 -0.09583 0.0114 0.06034 1.05801 -0.97915 -0 -0 0.27721 0.52334 0 0 0 0 0 0.7088 0.16643 0.49026 0 -0.96801 0 -2.4119 1.10333 1.99425 0.62288 ALA_92 -2.24215 0.75066 2.23956 -0.02327 0 0 1.4527 -1.12942 -0 -0 -0.35905 -0.38045 0 0 0 0 0 -0.05188 0 0 0 -0.30714 0 1.8394 0.99528 0.82769 3.61192 CYS:disulfide_93 -5.78199 0.42872 4.13208 -0.07106 0.0054 0.07008 2.39369 -2.13842 -0.01635 -0.15236 -1.78541 -0.16848 0 0 0 0 -0.53599 0.01537 0.21564 1.7423 0 0.40961 0 3.6196 -0.4948 0.31586 2.20349 ARG_94 -5.32644 0.399 3.81053 -0.66096 0.10549 0.46439 1.35005 -1.86493 -0.02138 -0.13929 -1.41574 -0.04999 0 0 -0.49452 0 0 -0.01666 0.33207 1.969 0 -0.21505 0 -1.2888 0.15068 0.19787 -2.71466 GLY_95 -1.94887 0.04866 2.21917 -0.00131 0 0 0.92276 -1.0044 -0 -0 -0.22152 -0.34953 0 0 0 0 0 -0.0912 0 0 0 -1.54379 0 0.83697 0.85826 0.21523 -0.05957 SER_96 -2.53867 0.06788 2.16916 -0.03211 0 0.07298 0.66094 -0.97663 -0 -0 -1.20976 -0.45429 0 0 0 -0.70549 0 -0.00678 0.01888 0.19613 0 -0.38682 0.64072 -0.77834 0.21871 0.18165 -2.86185 THR_97 -3.90567 0.39034 3.24681 -0.17986 0.09803 0.06434 2.0741 -1.78804 -0.00912 -0.14687 -2.08818 -1.11148 0 0 0 0 0 -0.05577 0.02652 0.45035 0 -0.40988 2.30626 -1.0874 -0.02889 0.31317 -1.84123 THR_98 -3.24394 0.25754 1.47224 -0.18286 0.10766 0.07253 0.54168 -1.19707 -0.00912 -0.14687 -1.08395 -0.26879 0 0 0 0 0 -0.07204 0.00093 0.10189 0 0.40493 2.30366 -1.0874 0.5242 0.34315 -1.16164 LEU_99 -8.92124 1.68952 3.00446 -0.43196 0.19845 0.08156 2.64671 -2.75613 -0.01512 -0.05334 -3.02218 0.17344 0 0 0 0 0 0.18484 0.18172 0.56393 0 0.14522 0 0.18072 0.49636 1.15361 -4.49943 TYR_100 -9.51205 1.28323 4.60425 -0.62012 0.19642 0.30393 2.58614 -3.23597 -0.01835 -0.1119 -2.99983 -0.23246 0 0 0 -0.62311 0 0.02992 0.09963 0 2.37905 -0.09 0.37026 1.2797 0.16655 1.6801 -2.46461 ASN_101 -6.14763 0.47521 6.36945 -0.27463 0.06685 0.44992 4.32299 -3.19395 -0.0211 -0.13911 -4.38356 -0.7826 0 0 -0.78501 0 0 -0.04514 0.06892 0 1.82035 -0.51029 0 -0.93687 -0.11097 1.29976 -2.45743 CYS:disulfide_102 -5.69601 0.24451 3.64475 -0.06503 0.00287 0.06705 1.49318 -1.85345 -0 -0 -0.51073 -0.35702 0 0 0 0 -0.4769 -0.07093 0.00227 1.60828 0 0.35654 0 3.6196 0.16269 0.82968 3.00135 SER_103 -4.03935 0.32231 3.26464 -0.03345 0.00153 0.05834 1.32881 -1.69395 -0.0195 -0.2231 -0.29317 -0.95534 0 0 -0.78501 0 0 -0.04334 0.06078 0.27331 0 -0.30331 0.73695 -0.77834 -0.19112 0.46568 -2.84662 THR_104 -4.6519 0.58132 4.91281 -0.1073 0.05275 0.06297 2.32662 -2.33689 -0.02687 -0.22346 -2.12148 -1.12408 0 0 -0.48813 0 0 -0.04763 0.00238 0.07045 0 -0.70084 2.28574 -1.0874 -0.26654 0.78173 -2.10576 CYS:disulfide_105 -5.48545 0.61732 3.84711 -0.06845 0.07518 0.08178 1.59322 -2.00117 -0 -0 -1.23221 -0.44416 0 0 0 0 -0.56172 -0.02472 0.09203 1.61341 0 0.26207 0 3.6196 0.40348 0.71579 3.1031 LYS_106 -5.31913 0.38469 6.53681 -0.5956 0.16691 0.6247 3.02355 -2.88891 -0.01927 -0.09044 -3.80433 -0.08444 0 0 -0.48813 0 0 0.07818 0.24371 2.17675 0 0.06471 0 -1.5107 0.24944 0.40334 -0.84815 GLY_107 -2.48316 0.27313 1.23901 -0.00018 0 0 0.37766 -0.94376 -0 -0 -0.56065 -0.24002 0 0 0 0 0 -0.10301 0 0 0 0.72517 0 0.83697 -0.00633 0.43132 -0.45385 THR_108 -4.83252 0.3076 3.6933 -0.20844 0.09186 0.08561 2.67873 -2.32019 -0 -0 -1.87382 -1.34677 0 0 0 0 0 0.10399 0.08413 0.26024 0 0.10234 2.3077 -1.0874 0.12611 0.36745 -1.46007 GLU_109 -2.61788 0.24839 2.26836 -0.33577 0.10393 0.43596 0.84707 -1.08323 -0 -0 -1.10743 -0.39577 0 0 0 -0.70549 0 -0.08271 0.00282 0 2.92773 0.14621 0 -2.7348 0.12323 0.37035 -1.58904 VAL_110 -5.84627 0.82072 2.50132 -0.25776 0.16466 0.05104 1.89224 -1.94448 -0 -0 -2.01533 -0.36455 0 0 0 0 0 -0.01097 0.01371 0.3031 0 -0.63744 0 1.9342 -0.09285 0.38047 -3.10819 SER_111 -2.75931 0.31606 1.99143 -0.02653 0 0.02273 0.76691 -1.15022 -0 -0 -0.46467 -0.13914 0 0 0 0 0 -0.03465 0.00227 0.47576 0 -0.07568 0.60029 -0.77834 -0.40652 0.33695 -1.32265 CYS:disulfide_112 -4.56848 1.26385 1.00767 -0.03815 0 0.01375 0.24915 -0.86792 -0 -0 0.14984 -0.22198 0 0 0 0 -0.3199 -0.02557 0.19295 0.31471 0 0.17787 0 3.6196 -0.45503 0.433 0.92538 TRP_113 -5.68937 1.05457 2.95344 -0.72458 0.23931 0.40054 1.20033 -1.67535 -0.01887 -0.09477 -0.74215 -0.58935 0 0 -0.12041 0 0 -0.05368 0.05336 0 2.72181 0.00548 0 1.6906 3.15564 2.04581 5.81237 PRO_114 -6.47409 1.60595 3.64017 -0.21872 0.0474 0.16244 0.89119 -1.37353 -0 -0 -1.2401 -0.05638 0 0 0 0 0 0.02456 0.02388 0.35179 0 -0.87603 0 -2.4119 3.30621 2.45552 -0.14163 ARG_115 -2.10617 0.14656 2.68389 -0.46631 0.05695 0.27903 1.02331 -1.02167 -0 -0 -1.44151 0.01519 0 0 -1.09741 0 0 0.02939 0.00478 1.85084 0 -0.03848 0 -1.2888 0.38352 1.17901 0.19213 LYS_116 -4.60686 0.41446 3.66187 -0.43033 0.08059 0.21657 0.75003 -1.2087 -0.00381 -0.01126 -0.47439 -0.14722 0 0 0 0 0 0.01515 0.00879 1.79454 0 0.08365 0 -1.5107 0.43834 0.69531 -0.23398 ARG_117 -4.11635 0.28979 2.4573 -0.54797 0.08262 0.29022 0.62172 -1.25345 -0.01984 -0.19811 -0.60127 0.62797 0 0 0 0 0 0.24633 0.12565 1.95876 0 -0.00766 0 -1.2888 -0.05352 0.29498 -1.09165 CYS:disulfide_118 -5.26298 0.51625 2.60532 -0.0346 0 0.01354 0.64389 -1.49368 -0.00731 -0.05702 -0.673 -0.1926 0 0 0 0 -0.53599 0.09781 0.02039 0.2103 0 -0.14667 0 3.6196 -0.09502 0.3718 -0.39997 PHE_119 -6.27041 0.57985 4.08266 -0.6539 0.11761 0.39875 1.87314 -2.22611 -0 -0 -2.39582 0.02702 0 0 -0.49452 0 0 0.03982 0.00046 0 1.9756 -0.49861 0 1.0402 -0.32791 1.00113 -1.73103 PRO_120 -3.36382 0.54371 1.88882 -0.18779 0.00133 0.13243 0.31756 -0.8587 -0 -0 -0.68173 0.07105 0 0 0 0 0 -0.02015 0.00466 0.62677 0 -0.96479 0 -2.4119 -0.6183 0.89527 -4.62559 GLY_121 -1.02165 0.02974 1.32079 -0.00034 0 0 0.25289 -0.57893 -0.02138 -0.13929 -0.35841 -0.16985 0 0 0 0 0 -0.11595 0 0 0 -0.78679 0 0.83697 -0.30495 0.11593 -0.9412 SER:CtermProteinFull_122 -0.26907 0.01704 0.38095 -0.08192 0.00984 0.15616 0.00379 -0.16301 -0 -0 -0.14025 -1.29034 0 0 0 0 0 0 0.00184 0.08779 0 0 1.9956 -0.77834 0.00587 0.16441 0.10036 #END_POSE_ENERGIES_TABLE model01_0001.pdb If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |