diff --git "a/1oqp/1oqp_protein_processed_fix.pdb" "b/1oqp/1oqp_protein_processed_fix.pdb" new file mode 100644--- /dev/null +++ "b/1oqp/1oqp_protein_processed_fix.pdb" @@ -0,0 +1,1233 @@ +REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20 +ATOM 1 N GLY A 1 20.133 6.141 0.740 1.00 0.00 N +ATOM 2 CA GLY A 1 20.173 5.872 -0.709 1.00 0.00 C +ATOM 3 C GLY A 1 19.457 4.568 -1.055 1.00 0.00 C +ATOM 4 O GLY A 1 20.093 3.595 -1.452 1.00 0.00 O +ATOM 5 HA2 GLY A 1 19.759 6.607 -1.187 1.00 0.00 H +ATOM 6 HA3 GLY A 1 21.095 5.825 -1.005 1.00 0.00 H +ATOM 7 N SER A 2 18.133 4.550 -0.896 1.00 0.00 N +ATOM 8 CA SER A 2 17.294 3.411 -1.228 1.00 0.00 C +ATOM 9 C SER A 2 17.238 3.247 -2.748 1.00 0.00 C +ATOM 10 O SER A 2 17.643 2.226 -3.305 1.00 0.00 O +ATOM 11 CB SER A 2 15.903 3.695 -0.654 1.00 0.00 C +ATOM 12 OG SER A 2 15.503 5.017 -0.986 1.00 0.00 O +ATOM 13 H SER A 2 17.692 5.219 -0.584 1.00 0.00 H +ATOM 14 HA SER A 2 17.645 2.587 -0.855 1.00 0.00 H +ATOM 15 HB2 SER A 2 15.263 3.057 -1.006 1.00 0.00 H +ATOM 16 HB3 SER A 2 15.913 3.584 0.310 1.00 0.00 H +ATOM 17 HG SER A 2 14.953 5.295 -0.415 1.00 0.00 H +ATOM 18 N GLY A 3 16.713 4.284 -3.403 1.00 0.00 N +ATOM 19 CA GLY A 3 16.590 4.386 -4.847 1.00 0.00 C +ATOM 20 C GLY A 3 15.800 3.204 -5.401 1.00 0.00 C +ATOM 21 O GLY A 3 14.576 3.169 -5.294 1.00 0.00 O +ATOM 22 H GLY A 3 16.407 4.976 -2.994 1.00 0.00 H +ATOM 23 HA2 GLY A 3 16.147 5.216 -5.081 1.00 0.00 H +ATOM 24 HA3 GLY A 3 17.471 4.411 -5.251 1.00 0.00 H +ATOM 25 N GLU A 4 16.498 2.225 -5.975 1.00 0.00 N +ATOM 26 CA GLU A 4 15.895 0.990 -6.437 1.00 0.00 C +ATOM 27 C GLU A 4 15.294 0.249 -5.240 1.00 0.00 C +ATOM 28 O GLU A 4 14.120 -0.125 -5.259 1.00 0.00 O +ATOM 29 CB GLU A 4 16.941 0.117 -7.151 1.00 0.00 C +ATOM 30 CG GLU A 4 17.467 0.730 -8.463 1.00 0.00 C +ATOM 31 CD GLU A 4 18.367 1.952 -8.280 1.00 0.00 C +ATOM 32 OE1 GLU A 4 18.977 2.065 -7.192 1.00 0.00 O +ATOM 33 OE2 GLU A 4 18.420 2.761 -9.231 1.00 0.00 O +ATOM 34 H GLU A 4 17.347 2.266 -6.106 1.00 0.00 H +ATOM 35 HA GLU A 4 15.191 1.190 -7.074 1.00 0.00 H +ATOM 36 HB2 GLU A 4 17.688 -0.034 -6.551 1.00 0.00 H +ATOM 37 HB3 GLU A 4 16.551 -0.750 -7.342 1.00 0.00 H +ATOM 38 HG2 GLU A 4 17.960 0.050 -8.949 1.00 0.00 H +ATOM 39 HG3 GLU A 4 16.710 0.981 -9.015 1.00 0.00 H +ATOM 40 N ARG A 5 16.096 0.048 -4.192 1.00 0.00 N +ATOM 41 CA ARG A 5 15.717 -0.725 -3.019 1.00 0.00 C +ATOM 42 C ARG A 5 14.907 0.166 -2.078 1.00 0.00 C +ATOM 43 O ARG A 5 15.364 0.505 -0.989 1.00 0.00 O +ATOM 44 CB ARG A 5 16.979 -1.282 -2.341 1.00 0.00 C +ATOM 45 CG ARG A 5 17.728 -2.255 -3.262 1.00 0.00 C +ATOM 46 CD ARG A 5 18.946 -2.847 -2.546 1.00 0.00 C +ATOM 47 NE ARG A 5 19.650 -3.803 -3.411 1.00 0.00 N +ATOM 48 CZ ARG A 5 20.752 -4.482 -3.061 1.00 0.00 C +ATOM 49 NH1 ARG A 5 21.297 -4.314 -1.851 1.00 0.00 N +ATOM 50 NH2 ARG A 5 21.305 -5.333 -3.931 1.00 0.00 N +ATOM 51 H ARG A 5 16.893 0.367 -4.147 1.00 0.00 H +ATOM 52 HA ARG A 5 15.163 -1.480 -3.271 1.00 0.00 H +ATOM 53 HB2 ARG A 5 17.566 -0.550 -2.096 1.00 0.00 H +ATOM 54 HB3 ARG A 5 16.733 -1.736 -1.520 1.00 0.00 H +ATOM 55 HG2 ARG A 5 17.132 -2.968 -3.540 1.00 0.00 H +ATOM 56 HG3 ARG A 5 18.012 -1.793 -4.066 1.00 0.00 H +ATOM 57 HD2 ARG A 5 19.551 -2.135 -2.286 1.00 0.00 H +ATOM 58 HD3 ARG A 5 18.663 -3.290 -1.731 1.00 0.00 H +ATOM 59 HE ARG A 5 19.332 -3.937 -4.199 1.00 0.00 H +ATOM 60 HH11 ARG A 5 20.941 -3.767 -1.291 1.00 0.00 H +ATOM 61 HH12 ARG A 5 22.004 -4.753 -1.633 1.00 0.00 H +ATOM 62 HH21 ARG A 5 20.954 -5.442 -4.709 1.00 0.00 H +ATOM 63 HH22 ARG A 5 22.012 -5.772 -3.713 1.00 0.00 H +ATOM 64 N ASP A 6 13.713 0.573 -2.520 1.00 0.00 N +ATOM 65 CA ASP A 6 12.862 1.526 -1.819 1.00 0.00 C +ATOM 66 C ASP A 6 11.475 0.945 -1.560 1.00 0.00 C +ATOM 67 O ASP A 6 11.009 0.079 -2.300 1.00 0.00 O +ATOM 68 CB ASP A 6 12.761 2.802 -2.662 1.00 0.00 C +ATOM 69 CG ASP A 6 12.024 3.913 -1.929 1.00 0.00 C +ATOM 70 OD1 ASP A 6 12.716 4.658 -1.199 1.00 0.00 O +ATOM 71 OD2 ASP A 6 10.785 3.977 -2.099 1.00 0.00 O +ATOM 72 H ASP A 6 13.371 0.291 -3.257 1.00 0.00 H +ATOM 73 HA ASP A 6 13.254 1.729 -0.955 1.00 0.00 H +ATOM 74 HB2 ASP A 6 13.652 3.106 -2.896 1.00 0.00 H +ATOM 75 HB3 ASP A 6 12.302 2.604 -3.493 1.00 0.00 H +ATOM 76 N SER A 7 10.799 1.470 -0.533 1.00 0.00 N +ATOM 77 CA SER A 7 9.429 1.183 -0.143 1.00 0.00 C +ATOM 78 C SER A 7 8.457 1.161 -1.327 1.00 0.00 C +ATOM 79 O SER A 7 7.487 0.409 -1.304 1.00 0.00 O +ATOM 80 CB SER A 7 9.015 2.229 0.897 1.00 0.00 C +ATOM 81 OG SER A 7 10.162 2.668 1.609 1.00 0.00 O +ATOM 82 H SER A 7 11.164 2.047 -0.010 1.00 0.00 H +ATOM 83 HA SER A 7 9.390 0.289 0.231 1.00 0.00 H +ATOM 84 HB2 SER A 7 8.586 2.981 0.460 1.00 0.00 H +ATOM 85 HB3 SER A 7 8.367 1.850 1.511 1.00 0.00 H +ATOM 86 HG SER A 7 9.936 3.243 2.178 1.00 0.00 H +ATOM 87 N ARG A 8 8.737 1.951 -2.372 1.00 0.00 N +ATOM 88 CA ARG A 8 8.048 1.905 -3.658 1.00 0.00 C +ATOM 89 C ARG A 8 7.815 0.456 -4.107 1.00 0.00 C +ATOM 90 O ARG A 8 6.710 0.099 -4.508 1.00 0.00 O +ATOM 91 CB ARG A 8 8.904 2.650 -4.690 1.00 0.00 C +ATOM 92 CG ARG A 8 8.233 2.749 -6.071 1.00 0.00 C +ATOM 93 CD ARG A 8 9.235 3.160 -7.158 1.00 0.00 C +ATOM 94 NE ARG A 8 10.244 2.108 -7.361 1.00 0.00 N +ATOM 95 CZ ARG A 8 11.473 2.063 -6.824 1.00 0.00 C +ATOM 96 NH1 ARG A 8 12.004 3.125 -6.211 1.00 0.00 N +ATOM 97 NH2 ARG A 8 12.156 0.917 -6.878 1.00 0.00 N +ATOM 98 H ARG A 8 9.356 2.547 -2.345 1.00 0.00 H +ATOM 99 HA ARG A 8 7.179 2.327 -3.575 1.00 0.00 H +ATOM 100 HB2 ARG A 8 9.091 3.544 -4.362 1.00 0.00 H +ATOM 101 HB3 ARG A 8 9.757 2.197 -4.782 1.00 0.00 H +ATOM 102 HG2 ARG A 8 7.837 1.894 -6.301 1.00 0.00 H +ATOM 103 HG3 ARG A 8 7.511 3.395 -6.035 1.00 0.00 H +ATOM 104 HD2 ARG A 8 8.765 3.329 -7.990 1.00 0.00 H +ATOM 105 HD3 ARG A 8 9.671 3.989 -6.905 1.00 0.00 H +ATOM 106 HE ARG A 8 10.024 1.456 -7.876 1.00 0.00 H +ATOM 107 HH11 ARG A 8 11.556 3.857 -6.154 1.00 0.00 H +ATOM 108 HH12 ARG A 8 12.793 3.076 -5.873 1.00 0.00 H +ATOM 109 HH21 ARG A 8 11.807 0.226 -7.252 1.00 0.00 H +ATOM 110 HH22 ARG A 8 12.945 0.870 -6.539 1.00 0.00 H +ATOM 111 N GLU A 9 8.848 -0.390 -4.028 1.00 0.00 N +ATOM 112 CA GLU A 9 8.731 -1.795 -4.382 1.00 0.00 C +ATOM 113 C GLU A 9 7.622 -2.452 -3.563 1.00 0.00 C +ATOM 114 O GLU A 9 6.723 -3.075 -4.121 1.00 0.00 O +ATOM 115 CB GLU A 9 10.072 -2.507 -4.145 1.00 0.00 C +ATOM 116 CG GLU A 9 11.166 -2.025 -5.107 1.00 0.00 C +ATOM 117 CD GLU A 9 10.857 -2.391 -6.556 1.00 0.00 C +ATOM 118 OE1 GLU A 9 10.609 -3.593 -6.796 1.00 0.00 O +ATOM 119 OE2 GLU A 9 10.865 -1.466 -7.398 1.00 0.00 O +ATOM 120 H GLU A 9 9.634 -0.158 -3.767 1.00 0.00 H +ATOM 121 HA GLU A 9 8.503 -1.868 -5.322 1.00 0.00 H +ATOM 122 HB2 GLU A 9 10.359 -2.356 -3.231 1.00 0.00 H +ATOM 123 HB3 GLU A 9 9.951 -3.464 -4.250 1.00 0.00 H +ATOM 124 HG2 GLU A 9 11.261 -1.063 -5.031 1.00 0.00 H +ATOM 125 HG3 GLU A 9 12.016 -2.415 -4.850 1.00 0.00 H +ATOM 126 N GLU A 10 7.684 -2.311 -2.237 1.00 0.00 N +ATOM 127 CA GLU A 10 6.751 -2.952 -1.322 1.00 0.00 C +ATOM 128 C GLU A 10 5.324 -2.464 -1.589 1.00 0.00 C +ATOM 129 O GLU A 10 4.394 -3.265 -1.685 1.00 0.00 O +ATOM 130 CB GLU A 10 7.159 -2.674 0.128 1.00 0.00 C +ATOM 131 CG GLU A 10 8.606 -3.085 0.438 1.00 0.00 C +ATOM 132 CD GLU A 10 8.946 -2.808 1.899 1.00 0.00 C +ATOM 133 OE1 GLU A 10 8.855 -1.621 2.283 1.00 0.00 O +ATOM 134 OE2 GLU A 10 9.282 -3.784 2.605 1.00 0.00 O +ATOM 135 H GLU A 10 8.280 -1.832 -1.843 1.00 0.00 H +ATOM 136 HA GLU A 10 6.776 -3.911 -1.468 1.00 0.00 H +ATOM 137 HB2 GLU A 10 7.051 -1.728 0.313 1.00 0.00 H +ATOM 138 HB3 GLU A 10 6.559 -3.150 0.724 1.00 0.00 H +ATOM 139 HG2 GLU A 10 8.727 -4.028 0.247 1.00 0.00 H +ATOM 140 HG3 GLU A 10 9.216 -2.598 -0.138 1.00 0.00 H +ATOM 141 N ILE A 11 5.169 -1.146 -1.747 1.00 0.00 N +ATOM 142 CA ILE A 11 3.927 -0.529 -2.189 1.00 0.00 C +ATOM 143 C ILE A 11 3.426 -1.245 -3.437 1.00 0.00 C +ATOM 144 O ILE A 11 2.261 -1.623 -3.513 1.00 0.00 O +ATOM 145 CB ILE A 11 4.129 0.973 -2.468 1.00 0.00 C +ATOM 146 CG1 ILE A 11 4.319 1.729 -1.149 1.00 0.00 C +ATOM 147 CG2 ILE A 11 2.916 1.519 -3.229 1.00 0.00 C +ATOM 148 CD1 ILE A 11 4.887 3.145 -1.307 1.00 0.00 C +ATOM 149 H ILE A 11 5.798 -0.580 -1.596 1.00 0.00 H +ATOM 150 HA ILE A 11 3.265 -0.611 -1.485 1.00 0.00 H +ATOM 151 HB ILE A 11 4.923 1.097 -3.011 1.00 0.00 H +ATOM 152 HG12 ILE A 11 3.464 1.784 -0.694 1.00 0.00 H +ATOM 153 HG13 ILE A 11 4.912 1.216 -0.577 1.00 0.00 H +ATOM 154 HG21 ILE A 11 3.043 2.464 -3.405 1.00 0.00 H +ATOM 155 HG22 ILE A 11 2.821 1.044 -4.069 1.00 0.00 H +ATOM 156 HG23 ILE A 11 2.116 1.394 -2.695 1.00 0.00 H +ATOM 157 HD11 ILE A 11 4.978 3.557 -0.433 1.00 0.00 H +ATOM 158 HD12 ILE A 11 5.757 3.099 -1.735 1.00 0.00 H +ATOM 159 HD13 ILE A 11 4.286 3.676 -1.853 1.00 0.00 H +ATOM 160 N LEU A 12 4.296 -1.409 -4.430 1.00 0.00 N +ATOM 161 CA LEU A 12 3.907 -1.998 -5.697 1.00 0.00 C +ATOM 162 C LEU A 12 3.486 -3.461 -5.502 1.00 0.00 C +ATOM 163 O LEU A 12 2.471 -3.883 -6.056 1.00 0.00 O +ATOM 164 CB LEU A 12 5.031 -1.763 -6.718 1.00 0.00 C +ATOM 165 CG LEU A 12 4.626 -1.751 -8.201 1.00 0.00 C +ATOM 166 CD1 LEU A 12 4.556 -3.159 -8.795 1.00 0.00 C +ATOM 167 CD2 LEU A 12 3.326 -0.992 -8.492 1.00 0.00 C +ATOM 168 H LEU A 12 5.124 -1.182 -4.384 1.00 0.00 H +ATOM 169 HA LEU A 12 3.118 -1.569 -6.063 1.00 0.00 H +ATOM 170 HB2 LEU A 12 5.454 -0.914 -6.513 1.00 0.00 H +ATOM 171 HB3 LEU A 12 5.702 -2.452 -6.593 1.00 0.00 H +ATOM 172 HG LEU A 12 5.339 -1.261 -8.639 1.00 0.00 H +ATOM 173 HD11 LEU A 12 4.298 -3.104 -9.728 1.00 0.00 H +ATOM 174 HD12 LEU A 12 5.425 -3.584 -8.725 1.00 0.00 H +ATOM 175 HD13 LEU A 12 3.900 -3.683 -8.309 1.00 0.00 H +ATOM 176 HD21 LEU A 12 3.136 -1.028 -9.443 1.00 0.00 H +ATOM 177 HD22 LEU A 12 2.596 -1.401 -8.001 1.00 0.00 H +ATOM 178 HD23 LEU A 12 3.422 -0.067 -8.216 1.00 0.00 H +ATOM 179 N LYS A 13 4.197 -4.229 -4.664 1.00 0.00 N +ATOM 180 CA LYS A 13 3.748 -5.578 -4.314 1.00 0.00 C +ATOM 181 C LYS A 13 2.331 -5.526 -3.730 1.00 0.00 C +ATOM 182 O LYS A 13 1.442 -6.238 -4.197 1.00 0.00 O +ATOM 183 CB LYS A 13 4.693 -6.296 -3.334 1.00 0.00 C +ATOM 184 CG LYS A 13 6.189 -6.284 -3.677 1.00 0.00 C +ATOM 185 CD LYS A 13 6.513 -6.565 -5.149 1.00 0.00 C +ATOM 186 CE LYS A 13 8.010 -6.363 -5.414 1.00 0.00 C +ATOM 187 NZ LYS A 13 8.841 -7.348 -4.699 1.00 0.00 N +ATOM 188 H LYS A 13 4.934 -3.987 -4.293 1.00 0.00 H +ATOM 189 HA LYS A 13 3.752 -6.094 -5.136 1.00 0.00 H +ATOM 190 HB2 LYS A 13 4.581 -5.895 -2.458 1.00 0.00 H +ATOM 191 HB3 LYS A 13 4.407 -7.220 -3.261 1.00 0.00 H +ATOM 192 HG2 LYS A 13 6.556 -5.419 -3.438 1.00 0.00 H +ATOM 193 HG3 LYS A 13 6.639 -6.945 -3.128 1.00 0.00 H +ATOM 194 HD2 LYS A 13 6.258 -7.473 -5.375 1.00 0.00 H +ATOM 195 HD3 LYS A 13 5.995 -5.975 -5.719 1.00 0.00 H +ATOM 196 HE2 LYS A 13 8.180 -6.430 -6.367 1.00 0.00 H +ATOM 197 HE3 LYS A 13 8.267 -5.468 -5.142 1.00 0.00 H +ATOM 198 HZ1 LYS A 13 9.354 -6.929 -4.104 1.00 0.00 H +ATOM 199 HZ2 LYS A 13 8.316 -7.931 -4.279 1.00 0.00 H +ATOM 200 HZ3 LYS A 13 9.356 -7.781 -5.282 1.00 0.00 H +ATOM 201 N ALA A 14 2.111 -4.678 -2.721 1.00 0.00 N +ATOM 202 CA ALA A 14 0.799 -4.517 -2.106 1.00 0.00 C +ATOM 203 C ALA A 14 -0.262 -4.138 -3.144 1.00 0.00 C +ATOM 204 O ALA A 14 -1.351 -4.706 -3.152 1.00 0.00 O +ATOM 205 CB ALA A 14 0.882 -3.497 -0.970 1.00 0.00 C +ATOM 206 H ALA A 14 2.722 -4.181 -2.376 1.00 0.00 H +ATOM 207 HA ALA A 14 0.522 -5.367 -1.729 1.00 0.00 H +ATOM 208 HB1 ALA A 14 0.007 -3.393 -0.564 1.00 0.00 H +ATOM 209 HB2 ALA A 14 1.513 -3.807 -0.302 1.00 0.00 H +ATOM 210 HB3 ALA A 14 1.178 -2.643 -1.322 1.00 0.00 H +ATOM 211 N PHE A 15 0.065 -3.205 -4.038 1.00 0.00 N +ATOM 212 CA PHE A 15 -0.800 -2.792 -5.132 1.00 0.00 C +ATOM 213 C PHE A 15 -1.230 -4.015 -5.942 1.00 0.00 C +ATOM 214 O PHE A 15 -2.422 -4.242 -6.143 1.00 0.00 O +ATOM 215 CB PHE A 15 -0.072 -1.767 -6.009 1.00 0.00 C +ATOM 216 CG PHE A 15 -0.931 -1.124 -7.076 1.00 0.00 C +ATOM 217 CD1 PHE A 15 -1.800 -0.078 -6.723 1.00 0.00 C +ATOM 218 CD2 PHE A 15 -0.827 -1.525 -8.422 1.00 0.00 C +ATOM 219 CE1 PHE A 15 -2.557 0.573 -7.708 1.00 0.00 C +ATOM 220 CE2 PHE A 15 -1.562 -0.849 -9.412 1.00 0.00 C +ATOM 221 CZ PHE A 15 -2.410 0.213 -9.055 1.00 0.00 C +ATOM 222 H PHE A 15 0.816 -2.787 -4.021 1.00 0.00 H +ATOM 223 HA PHE A 15 -1.599 -2.371 -4.777 1.00 0.00 H +ATOM 224 HB2 PHE A 15 0.289 -1.070 -5.439 1.00 0.00 H +ATOM 225 HB3 PHE A 15 0.682 -2.203 -6.437 1.00 0.00 H +ATOM 226 HD1 PHE A 15 -1.873 0.183 -5.834 1.00 0.00 H +ATOM 227 HD2 PHE A 15 -0.274 -2.235 -8.655 1.00 0.00 H +ATOM 228 HE1 PHE A 15 -3.156 1.243 -7.468 1.00 0.00 H +ATOM 229 HE2 PHE A 15 -1.487 -1.105 -10.303 1.00 0.00 H +ATOM 230 HZ PHE A 15 -2.874 0.678 -9.713 1.00 0.00 H +ATOM 231 N ARG A 16 -0.260 -4.820 -6.387 1.00 0.00 N +ATOM 232 CA ARG A 16 -0.540 -6.033 -7.141 1.00 0.00 C +ATOM 233 C ARG A 16 -1.409 -7.003 -6.337 1.00 0.00 C +ATOM 234 O ARG A 16 -2.419 -7.478 -6.852 1.00 0.00 O +ATOM 235 CB ARG A 16 0.764 -6.705 -7.595 1.00 0.00 C +ATOM 236 CG ARG A 16 1.550 -5.895 -8.637 1.00 0.00 C +ATOM 237 CD ARG A 16 0.836 -5.820 -9.991 1.00 0.00 C +ATOM 238 NE ARG A 16 0.549 -7.157 -10.527 1.00 0.00 N +ATOM 239 CZ ARG A 16 -0.431 -7.434 -11.398 1.00 0.00 C +ATOM 240 NH1 ARG A 16 -1.155 -6.463 -11.960 1.00 0.00 N +ATOM 241 NH2 ARG A 16 -0.709 -8.700 -11.721 1.00 0.00 N +ATOM 242 H ARG A 16 0.577 -4.673 -6.257 1.00 0.00 H +ATOM 243 HA ARG A 16 -1.041 -5.781 -7.932 1.00 0.00 H +ATOM 244 HB2 ARG A 16 1.328 -6.853 -6.820 1.00 0.00 H +ATOM 245 HB3 ARG A 16 0.556 -7.577 -7.965 1.00 0.00 H +ATOM 246 HG2 ARG A 16 1.693 -4.996 -8.301 1.00 0.00 H +ATOM 247 HG3 ARG A 16 2.425 -6.295 -8.759 1.00 0.00 H +ATOM 248 HD2 ARG A 16 0.007 -5.325 -9.893 1.00 0.00 H +ATOM 249 HD3 ARG A 16 1.387 -5.330 -10.621 1.00 0.00 H +ATOM 250 HE ARG A 16 1.045 -7.808 -10.263 1.00 0.00 H +ATOM 251 HH11 ARG A 16 -0.996 -5.641 -11.765 1.00 0.00 H +ATOM 252 HH12 ARG A 16 -1.780 -6.660 -12.517 1.00 0.00 H +ATOM 253 HH21 ARG A 16 -0.258 -9.342 -11.369 1.00 0.00 H +ATOM 254 HH22 ARG A 16 -1.339 -8.873 -12.280 1.00 0.00 H +ATOM 255 N LEU A 17 -1.031 -7.304 -5.087 1.00 0.00 N +ATOM 256 CA LEU A 17 -1.786 -8.236 -4.249 1.00 0.00 C +ATOM 257 C LEU A 17 -3.233 -7.754 -4.108 1.00 0.00 C +ATOM 258 O LEU A 17 -4.169 -8.545 -4.202 1.00 0.00 O +ATOM 259 CB LEU A 17 -1.050 -8.550 -2.921 1.00 0.00 C +ATOM 260 CG LEU A 17 -1.555 -7.895 -1.615 1.00 0.00 C +ATOM 261 CD1 LEU A 17 -2.796 -8.599 -1.045 1.00 0.00 C +ATOM 262 CD2 LEU A 17 -0.482 -7.988 -0.519 1.00 0.00 C +ATOM 263 H LEU A 17 -0.334 -6.974 -4.707 1.00 0.00 H +ATOM 264 HA LEU A 17 -1.839 -9.102 -4.683 1.00 0.00 H +ATOM 265 HB2 LEU A 17 -1.071 -9.511 -2.794 1.00 0.00 H +ATOM 266 HB3 LEU A 17 -0.120 -8.299 -3.035 1.00 0.00 H +ATOM 267 HG LEU A 17 -1.767 -6.977 -1.848 1.00 0.00 H +ATOM 268 HD11 LEU A 17 -3.075 -8.154 -0.229 1.00 0.00 H +ATOM 269 HD12 LEU A 17 -3.516 -8.563 -1.694 1.00 0.00 H +ATOM 270 HD13 LEU A 17 -2.582 -9.525 -0.851 1.00 0.00 H +ATOM 271 HD21 LEU A 17 -0.812 -7.574 0.293 1.00 0.00 H +ATOM 272 HD22 LEU A 17 -0.276 -8.920 -0.346 1.00 0.00 H +ATOM 273 HD23 LEU A 17 0.321 -7.529 -0.812 1.00 0.00 H +ATOM 274 N PHE A 18 -3.419 -6.447 -3.910 1.00 0.00 N +ATOM 275 CA PHE A 18 -4.738 -5.845 -3.841 1.00 0.00 C +ATOM 276 C PHE A 18 -5.479 -5.976 -5.170 1.00 0.00 C +ATOM 277 O PHE A 18 -6.650 -6.346 -5.170 1.00 0.00 O +ATOM 278 CB PHE A 18 -4.651 -4.380 -3.392 1.00 0.00 C +ATOM 279 CG PHE A 18 -4.452 -4.107 -1.908 1.00 0.00 C +ATOM 280 CD1 PHE A 18 -4.165 -5.133 -0.985 1.00 0.00 C +ATOM 281 CD2 PHE A 18 -4.658 -2.798 -1.437 1.00 0.00 C +ATOM 282 CE1 PHE A 18 -4.108 -4.855 0.391 1.00 0.00 C +ATOM 283 CE2 PHE A 18 -4.591 -2.521 -0.063 1.00 0.00 C +ATOM 284 CZ PHE A 18 -4.338 -3.550 0.853 1.00 0.00 C +ATOM 285 H PHE A 18 -2.774 -5.886 -3.812 1.00 0.00 H +ATOM 286 HA PHE A 18 -5.250 -6.329 -3.174 1.00 0.00 H +ATOM 287 HB2 PHE A 18 -3.919 -3.963 -3.873 1.00 0.00 H +ATOM 288 HB3 PHE A 18 -5.465 -3.933 -3.671 1.00 0.00 H +ATOM 289 HD1 PHE A 18 -4.013 -5.999 -1.289 1.00 0.00 H +ATOM 290 HD2 PHE A 18 -4.839 -2.113 -2.039 1.00 0.00 H +ATOM 291 HE1 PHE A 18 -3.918 -5.536 0.996 1.00 0.00 H +ATOM 292 HE2 PHE A 18 -4.715 -1.651 0.241 1.00 0.00 H +ATOM 293 HZ PHE A 18 -4.322 -3.369 1.765 1.00 0.00 H +ATOM 294 N ASP A 19 -4.834 -5.652 -6.294 1.00 0.00 N +ATOM 295 CA ASP A 19 -5.467 -5.602 -7.609 1.00 0.00 C +ATOM 296 C ASP A 19 -5.714 -7.007 -8.183 1.00 0.00 C +ATOM 297 O ASP A 19 -5.268 -7.328 -9.283 1.00 0.00 O +ATOM 298 CB ASP A 19 -4.616 -4.724 -8.540 1.00 0.00 C +ATOM 299 CG ASP A 19 -5.252 -4.489 -9.909 1.00 0.00 C +ATOM 300 OD1 ASP A 19 -6.463 -4.761 -10.060 1.00 0.00 O +ATOM 301 OD2 ASP A 19 -4.505 -4.044 -10.808 1.00 0.00 O +ATOM 302 H ASP A 19 -3.998 -5.451 -6.310 1.00 0.00 H +ATOM 303 HA ASP A 19 -6.346 -5.201 -7.525 1.00 0.00 H +ATOM 304 HB2 ASP A 19 -4.461 -3.867 -8.112 1.00 0.00 H +ATOM 305 HB3 ASP A 19 -3.749 -5.141 -8.662 1.00 0.00 H +ATOM 306 N ASP A 20 -6.477 -7.828 -7.457 1.00 0.00 N +ATOM 307 CA ASP A 20 -6.876 -9.175 -7.840 1.00 0.00 C +ATOM 308 C ASP A 20 -7.466 -9.197 -9.251 1.00 0.00 C +ATOM 309 O ASP A 20 -7.082 -10.027 -10.069 1.00 0.00 O +ATOM 310 CB ASP A 20 -7.885 -9.703 -6.812 1.00 0.00 C +ATOM 311 CG ASP A 20 -8.422 -11.078 -7.199 1.00 0.00 C +ATOM 312 OD1 ASP A 20 -7.771 -12.073 -6.816 1.00 0.00 O +ATOM 313 OD2 ASP A 20 -9.484 -11.105 -7.855 1.00 0.00 O +ATOM 314 H ASP A 20 -6.789 -7.598 -6.689 1.00 0.00 H +ATOM 315 HA ASP A 20 -6.095 -9.750 -7.851 1.00 0.00 H +ATOM 316 HB2 ASP A 20 -7.462 -9.755 -5.941 1.00 0.00 H +ATOM 317 HB3 ASP A 20 -8.623 -9.078 -6.733 1.00 0.00 H +ATOM 318 N ASP A 21 -8.396 -8.280 -9.539 1.00 0.00 N +ATOM 319 CA ASP A 21 -9.046 -8.212 -10.844 1.00 0.00 C +ATOM 320 C ASP A 21 -8.111 -7.712 -11.958 1.00 0.00 C +ATOM 321 O ASP A 21 -8.500 -7.724 -13.122 1.00 0.00 O +ATOM 322 CB ASP A 21 -10.367 -7.425 -10.768 1.00 0.00 C +ATOM 323 CG ASP A 21 -10.227 -5.933 -10.476 1.00 0.00 C +ATOM 324 OD1 ASP A 21 -9.182 -5.360 -10.851 1.00 0.00 O +ATOM 325 OD2 ASP A 21 -11.188 -5.377 -9.899 1.00 0.00 O +ATOM 326 H ASP A 21 -8.664 -7.683 -8.981 1.00 0.00 H +ATOM 327 HA ASP A 21 -9.271 -9.121 -11.096 1.00 0.00 H +ATOM 328 HB2 ASP A 21 -10.838 -7.531 -11.610 1.00 0.00 H +ATOM 329 HB3 ASP A 21 -10.923 -7.823 -10.080 1.00 0.00 H +ATOM 330 N ASN A 22 -6.892 -7.278 -11.617 1.00 0.00 N +ATOM 331 CA ASN A 22 -5.871 -6.824 -12.552 1.00 0.00 C +ATOM 332 C ASN A 22 -6.383 -5.700 -13.461 1.00 0.00 C +ATOM 333 O ASN A 22 -6.168 -5.720 -14.671 1.00 0.00 O +ATOM 334 CB ASN A 22 -5.285 -8.021 -13.318 1.00 0.00 C +ATOM 335 CG ASN A 22 -3.894 -7.721 -13.873 1.00 0.00 C +ATOM 336 OD1 ASN A 22 -2.888 -8.172 -13.329 1.00 0.00 O +ATOM 337 ND2 ASN A 22 -3.798 -6.942 -14.943 1.00 0.00 N +ATOM 338 H ASN A 22 -6.632 -7.241 -10.798 1.00 0.00 H +ATOM 339 HA ASN A 22 -5.142 -6.425 -12.051 1.00 0.00 H +ATOM 340 HB2 ASN A 22 -5.238 -8.790 -12.728 1.00 0.00 H +ATOM 341 HB3 ASN A 22 -5.879 -8.259 -14.047 1.00 0.00 H +ATOM 342 HD21 ASN A 22 -3.025 -6.747 -15.265 1.00 0.00 H +ATOM 343 HD22 ASN A 22 -4.509 -6.633 -15.315 1.00 0.00 H +ATOM 344 N SER A 23 -7.024 -4.682 -12.877 1.00 0.00 N +ATOM 345 CA SER A 23 -7.426 -3.491 -13.629 1.00 0.00 C +ATOM 346 C SER A 23 -6.257 -2.520 -13.833 1.00 0.00 C +ATOM 347 O SER A 23 -6.386 -1.553 -14.579 1.00 0.00 O +ATOM 348 CB SER A 23 -8.579 -2.775 -12.917 1.00 0.00 C +ATOM 349 OG SER A 23 -9.700 -3.630 -12.846 1.00 0.00 O +ATOM 350 H SER A 23 -7.235 -4.663 -12.044 1.00 0.00 H +ATOM 351 HA SER A 23 -7.721 -3.789 -14.504 1.00 0.00 H +ATOM 352 HB2 SER A 23 -8.305 -2.511 -12.024 1.00 0.00 H +ATOM 353 HB3 SER A 23 -8.811 -1.963 -13.394 1.00 0.00 H +ATOM 354 HG SER A 23 -9.535 -4.266 -12.322 1.00 0.00 H +ATOM 355 N GLY A 24 -5.128 -2.747 -13.154 1.00 0.00 N +ATOM 356 CA GLY A 24 -4.039 -1.784 -13.085 1.00 0.00 C +ATOM 357 C GLY A 24 -4.400 -0.663 -12.105 1.00 0.00 C +ATOM 358 O GLY A 24 -3.757 0.384 -12.092 1.00 0.00 O +ATOM 359 H GLY A 24 -4.977 -3.473 -12.718 1.00 0.00 H +ATOM 360 HA2 GLY A 24 -3.224 -2.225 -12.799 1.00 0.00 H +ATOM 361 HA3 GLY A 24 -3.868 -1.413 -13.965 1.00 0.00 H +ATOM 362 N THR A 25 -5.431 -0.890 -11.287 1.00 0.00 N +ATOM 363 CA THR A 25 -6.036 0.031 -10.347 1.00 0.00 C +ATOM 364 C THR A 25 -6.749 -0.860 -9.322 1.00 0.00 C +ATOM 365 O THR A 25 -7.167 -1.963 -9.673 1.00 0.00 O +ATOM 366 CB THR A 25 -7.035 0.945 -11.080 1.00 0.00 C +ATOM 367 OG1 THR A 25 -7.986 0.149 -11.759 1.00 0.00 O +ATOM 368 CG2 THR A 25 -6.392 1.881 -12.109 1.00 0.00 C +ATOM 369 H THR A 25 -5.822 -1.656 -11.274 1.00 0.00 H +ATOM 370 HA THR A 25 -5.387 0.612 -9.921 1.00 0.00 H +ATOM 371 HB THR A 25 -7.437 1.500 -10.393 1.00 0.00 H +ATOM 372 HG1 THR A 25 -8.677 0.603 -11.907 1.00 0.00 H +ATOM 373 HG21 THR A 25 -7.079 2.423 -12.528 1.00 0.00 H +ATOM 374 HG22 THR A 25 -5.751 2.458 -11.665 1.00 0.00 H +ATOM 375 HG23 THR A 25 -5.938 1.355 -12.786 1.00 0.00 H +ATOM 376 N ILE A 26 -6.857 -0.432 -8.063 1.00 0.00 N +ATOM 377 CA ILE A 26 -7.514 -1.207 -7.016 1.00 0.00 C +ATOM 378 C ILE A 26 -8.970 -0.747 -6.935 1.00 0.00 C +ATOM 379 O ILE A 26 -9.232 0.388 -6.540 1.00 0.00 O +ATOM 380 CB ILE A 26 -6.804 -0.994 -5.670 1.00 0.00 C +ATOM 381 CG1 ILE A 26 -5.297 -1.297 -5.722 1.00 0.00 C +ATOM 382 CG2 ILE A 26 -7.464 -1.847 -4.579 1.00 0.00 C +ATOM 383 CD1 ILE A 26 -4.567 -0.400 -4.721 1.00 0.00 C +ATOM 384 H ILE A 26 -6.547 0.324 -7.793 1.00 0.00 H +ATOM 385 HA ILE A 26 -7.475 -2.154 -7.222 1.00 0.00 H +ATOM 386 HB ILE A 26 -6.897 -0.052 -5.460 1.00 0.00 H +ATOM 387 HG12 ILE A 26 -5.137 -2.230 -5.513 1.00 0.00 H +ATOM 388 HG13 ILE A 26 -4.956 -1.144 -6.617 1.00 0.00 H +ATOM 389 HG21 ILE A 26 -7.007 -1.704 -3.735 1.00 0.00 H +ATOM 390 HG22 ILE A 26 -8.396 -1.593 -4.489 1.00 0.00 H +ATOM 391 HG23 ILE A 26 -7.407 -2.784 -4.822 1.00 0.00 H +ATOM 392 HD11 ILE A 26 -3.616 -0.588 -4.751 1.00 0.00 H +ATOM 393 HD12 ILE A 26 -4.719 0.530 -4.949 1.00 0.00 H +ATOM 394 HD13 ILE A 26 -4.902 -0.572 -3.827 1.00 0.00 H +ATOM 395 N THR A 27 -9.918 -1.598 -7.313 1.00 0.00 N +ATOM 396 CA THR A 27 -11.332 -1.257 -7.345 1.00 0.00 C +ATOM 397 C THR A 27 -12.021 -1.562 -6.011 1.00 0.00 C +ATOM 398 O THR A 27 -11.489 -2.281 -5.166 1.00 0.00 O +ATOM 399 CB THR A 27 -11.986 -2.078 -8.460 1.00 0.00 C +ATOM 400 OG1 THR A 27 -11.947 -3.447 -8.101 1.00 0.00 O +ATOM 401 CG2 THR A 27 -11.268 -1.847 -9.791 1.00 0.00 C +ATOM 402 H THR A 27 -9.753 -2.404 -7.562 1.00 0.00 H +ATOM 403 HA THR A 27 -11.425 -0.305 -7.507 1.00 0.00 H +ATOM 404 HB THR A 27 -12.908 -1.799 -8.571 1.00 0.00 H +ATOM 405 HG1 THR A 27 -11.156 -3.727 -8.148 1.00 0.00 H +ATOM 406 HG21 THR A 27 -11.695 -2.374 -10.485 1.00 0.00 H +ATOM 407 HG22 THR A 27 -11.314 -0.907 -10.025 1.00 0.00 H +ATOM 408 HG23 THR A 27 -10.339 -2.114 -9.708 1.00 0.00 H +ATOM 409 N ILE A 28 -13.254 -1.077 -5.842 1.00 0.00 N +ATOM 410 CA ILE A 28 -14.097 -1.480 -4.722 1.00 0.00 C +ATOM 411 C ILE A 28 -14.216 -3.012 -4.660 1.00 0.00 C +ATOM 412 O ILE A 28 -14.162 -3.608 -3.585 1.00 0.00 O +ATOM 413 CB ILE A 28 -15.451 -0.755 -4.798 1.00 0.00 C +ATOM 414 CG1 ILE A 28 -16.311 -1.098 -3.571 1.00 0.00 C +ATOM 415 CG2 ILE A 28 -16.233 -1.034 -6.091 1.00 0.00 C +ATOM 416 CD1 ILE A 28 -17.129 0.110 -3.125 1.00 0.00 C +ATOM 417 H ILE A 28 -13.620 -0.508 -6.373 1.00 0.00 H +ATOM 418 HA ILE A 28 -13.687 -1.212 -3.884 1.00 0.00 H +ATOM 419 HB ILE A 28 -15.248 0.193 -4.805 1.00 0.00 H +ATOM 420 HG12 ILE A 28 -16.905 -1.835 -3.783 1.00 0.00 H +ATOM 421 HG13 ILE A 28 -15.741 -1.394 -2.844 1.00 0.00 H +ATOM 422 HG21 ILE A 28 -17.072 -0.548 -6.073 1.00 0.00 H +ATOM 423 HG22 ILE A 28 -15.709 -0.746 -6.855 1.00 0.00 H +ATOM 424 HG23 ILE A 28 -16.412 -1.985 -6.163 1.00 0.00 H +ATOM 425 HD11 ILE A 28 -17.663 -0.128 -2.351 1.00 0.00 H +ATOM 426 HD12 ILE A 28 -16.531 0.838 -2.893 1.00 0.00 H +ATOM 427 HD13 ILE A 28 -17.713 0.390 -3.847 1.00 0.00 H +ATOM 428 N LYS A 29 -14.325 -3.658 -5.826 1.00 0.00 N +ATOM 429 CA LYS A 29 -14.369 -5.108 -5.924 1.00 0.00 C +ATOM 430 C LYS A 29 -13.079 -5.706 -5.358 1.00 0.00 C +ATOM 431 O LYS A 29 -13.129 -6.628 -4.544 1.00 0.00 O +ATOM 432 CB LYS A 29 -14.587 -5.550 -7.379 1.00 0.00 C +ATOM 433 CG LYS A 29 -15.874 -4.976 -7.983 1.00 0.00 C +ATOM 434 CD LYS A 29 -16.059 -5.517 -9.407 1.00 0.00 C +ATOM 435 CE LYS A 29 -17.354 -5.008 -10.053 1.00 0.00 C +ATOM 436 NZ LYS A 29 -17.338 -3.549 -10.254 1.00 0.00 N +ATOM 437 H LYS A 29 -14.375 -3.257 -6.585 1.00 0.00 H +ATOM 438 HA LYS A 29 -15.118 -5.435 -5.402 1.00 0.00 H +ATOM 439 HB2 LYS A 29 -13.829 -5.270 -7.916 1.00 0.00 H +ATOM 440 HB3 LYS A 29 -14.620 -6.519 -7.418 1.00 0.00 H +ATOM 441 HG2 LYS A 29 -16.636 -5.218 -7.434 1.00 0.00 H +ATOM 442 HG3 LYS A 29 -15.831 -4.007 -7.998 1.00 0.00 H +ATOM 443 HD2 LYS A 29 -15.301 -5.254 -9.953 1.00 0.00 H +ATOM 444 HD3 LYS A 29 -16.069 -6.487 -9.385 1.00 0.00 H +ATOM 445 HE2 LYS A 29 -17.483 -5.449 -10.907 1.00 0.00 H +ATOM 446 HE3 LYS A 29 -18.109 -5.248 -9.493 1.00 0.00 H +ATOM 447 HZ1 LYS A 29 -17.984 -3.175 -9.769 1.00 0.00 H +ATOM 448 HZ2 LYS A 29 -16.550 -3.223 -10.000 1.00 0.00 H +ATOM 449 HZ3 LYS A 29 -17.471 -3.366 -11.115 1.00 0.00 H +ATOM 450 N ASP A 30 -11.923 -5.170 -5.770 1.00 0.00 N +ATOM 451 CA ASP A 30 -10.636 -5.624 -5.258 1.00 0.00 C +ATOM 452 C ASP A 30 -10.597 -5.499 -3.739 1.00 0.00 C +ATOM 453 O ASP A 30 -10.252 -6.453 -3.045 1.00 0.00 O +ATOM 454 CB ASP A 30 -9.484 -4.814 -5.857 1.00 0.00 C +ATOM 455 CG ASP A 30 -9.200 -5.144 -7.314 1.00 0.00 C +ATOM 456 OD1 ASP A 30 -9.105 -6.350 -7.630 1.00 0.00 O +ATOM 457 OD2 ASP A 30 -9.064 -4.171 -8.086 1.00 0.00 O +ATOM 458 H ASP A 30 -11.869 -4.538 -6.350 1.00 0.00 H +ATOM 459 HA ASP A 30 -10.531 -6.554 -5.514 1.00 0.00 H +ATOM 460 HB2 ASP A 30 -9.690 -3.869 -5.782 1.00 0.00 H +ATOM 461 HB3 ASP A 30 -8.682 -4.972 -5.335 1.00 0.00 H +ATOM 462 N LEU A 31 -10.950 -4.323 -3.216 1.00 0.00 N +ATOM 463 CA LEU A 31 -10.930 -4.099 -1.778 1.00 0.00 C +ATOM 464 C LEU A 31 -11.835 -5.104 -1.066 1.00 0.00 C +ATOM 465 O LEU A 31 -11.421 -5.704 -0.076 1.00 0.00 O +ATOM 466 CB LEU A 31 -11.345 -2.668 -1.431 1.00 0.00 C +ATOM 467 CG LEU A 31 -10.428 -1.599 -2.037 1.00 0.00 C +ATOM 468 CD1 LEU A 31 -11.084 -0.228 -1.868 1.00 0.00 C +ATOM 469 CD2 LEU A 31 -9.040 -1.595 -1.392 1.00 0.00 C +ATOM 470 H LEU A 31 -11.203 -3.645 -3.680 1.00 0.00 H +ATOM 471 HA LEU A 31 -10.019 -4.228 -1.471 1.00 0.00 H +ATOM 472 HB2 LEU A 31 -12.252 -2.518 -1.740 1.00 0.00 H +ATOM 473 HB3 LEU A 31 -11.354 -2.567 -0.466 1.00 0.00 H +ATOM 474 HG LEU A 31 -10.306 -1.804 -2.977 1.00 0.00 H +ATOM 475 HD11 LEU A 31 -10.510 0.455 -2.249 1.00 0.00 H +ATOM 476 HD12 LEU A 31 -11.941 -0.221 -2.323 1.00 0.00 H +ATOM 477 HD13 LEU A 31 -11.218 -0.047 -0.924 1.00 0.00 H +ATOM 478 HD21 LEU A 31 -8.494 -0.907 -1.803 1.00 0.00 H +ATOM 479 HD22 LEU A 31 -9.125 -1.416 -0.442 1.00 0.00 H +ATOM 480 HD23 LEU A 31 -8.620 -2.460 -1.521 1.00 0.00 H +ATOM 481 N ARG A 32 -13.058 -5.311 -1.569 1.00 0.00 N +ATOM 482 CA ARG A 32 -13.949 -6.312 -1.000 1.00 0.00 C +ATOM 483 C ARG A 32 -13.275 -7.684 -1.017 1.00 0.00 C +ATOM 484 O ARG A 32 -13.268 -8.365 0.005 1.00 0.00 O +ATOM 485 CB ARG A 32 -15.299 -6.347 -1.736 1.00 0.00 C +ATOM 486 CG ARG A 32 -16.335 -7.203 -0.981 1.00 0.00 C +ATOM 487 CD ARG A 32 -17.273 -6.388 -0.079 1.00 0.00 C +ATOM 488 NE ARG A 32 -18.236 -5.645 -0.900 1.00 0.00 N +ATOM 489 CZ ARG A 32 -19.470 -5.316 -0.499 1.00 0.00 C +ATOM 490 NH1 ARG A 32 -19.786 -5.303 0.802 1.00 0.00 N +ATOM 491 NH2 ARG A 32 -20.393 -5.018 -1.418 1.00 0.00 N +ATOM 492 H ARG A 32 -13.384 -4.880 -2.238 1.00 0.00 H +ATOM 493 HA ARG A 32 -14.132 -6.069 -0.079 1.00 0.00 H +ATOM 494 HB2 ARG A 32 -15.637 -5.443 -1.837 1.00 0.00 H +ATOM 495 HB3 ARG A 32 -15.172 -6.704 -2.629 1.00 0.00 H +ATOM 496 HG2 ARG A 32 -16.867 -7.695 -1.626 1.00 0.00 H +ATOM 497 HG3 ARG A 32 -15.868 -7.858 -0.439 1.00 0.00 H +ATOM 498 HD2 ARG A 32 -17.743 -6.979 0.530 1.00 0.00 H +ATOM 499 HD3 ARG A 32 -16.757 -5.772 0.465 1.00 0.00 H +ATOM 500 HE ARG A 32 -17.992 -5.406 -1.689 1.00 0.00 H +ATOM 501 HH11 ARG A 32 -19.193 -5.507 1.391 1.00 0.00 H +ATOM 502 HH12 ARG A 32 -20.582 -5.090 1.049 1.00 0.00 H +ATOM 503 HH21 ARG A 32 -20.190 -5.039 -2.254 1.00 0.00 H +ATOM 504 HH22 ARG A 32 -21.190 -4.805 -1.174 1.00 0.00 H +ATOM 505 N ARG A 33 -12.716 -8.097 -2.157 1.00 0.00 N +ATOM 506 CA ARG A 33 -12.043 -9.383 -2.284 1.00 0.00 C +ATOM 507 C ARG A 33 -10.967 -9.532 -1.202 1.00 0.00 C +ATOM 508 O ARG A 33 -11.000 -10.487 -0.425 1.00 0.00 O +ATOM 509 CB ARG A 33 -11.490 -9.535 -3.710 1.00 0.00 C +ATOM 510 CG ARG A 33 -10.655 -10.803 -3.928 1.00 0.00 C +ATOM 511 CD ARG A 33 -11.425 -12.085 -3.603 1.00 0.00 C +ATOM 512 NE ARG A 33 -10.606 -13.266 -3.900 1.00 0.00 N +ATOM 513 CZ ARG A 33 -10.840 -14.488 -3.405 1.00 0.00 C +ATOM 514 NH1 ARG A 33 -11.942 -14.724 -2.686 1.00 0.00 N +ATOM 515 NH2 ARG A 33 -9.953 -15.467 -3.616 1.00 0.00 N +ATOM 516 H ARG A 33 -12.719 -7.633 -2.881 1.00 0.00 H +ATOM 517 HA ARG A 33 -12.674 -10.106 -2.142 1.00 0.00 H +ATOM 518 HB2 ARG A 33 -12.232 -9.537 -4.335 1.00 0.00 H +ATOM 519 HB3 ARG A 33 -10.944 -8.761 -3.919 1.00 0.00 H +ATOM 520 HG2 ARG A 33 -10.358 -10.835 -4.851 1.00 0.00 H +ATOM 521 HG3 ARG A 33 -9.859 -10.760 -3.375 1.00 0.00 H +ATOM 522 HD2 ARG A 33 -11.679 -12.088 -2.667 1.00 0.00 H +ATOM 523 HD3 ARG A 33 -12.246 -12.116 -4.119 1.00 0.00 H +ATOM 524 HE ARG A 33 -9.933 -13.167 -4.426 1.00 0.00 H +ATOM 525 HH11 ARG A 33 -12.504 -14.090 -2.540 1.00 0.00 H +ATOM 526 HH12 ARG A 33 -12.089 -15.510 -2.370 1.00 0.00 H +ATOM 527 HH21 ARG A 33 -9.238 -15.309 -4.067 1.00 0.00 H +ATOM 528 HH22 ARG A 33 -10.098 -16.254 -3.301 1.00 0.00 H +ATOM 529 N VAL A 34 -10.035 -8.576 -1.136 1.00 0.00 N +ATOM 530 CA VAL A 34 -8.992 -8.540 -0.114 1.00 0.00 C +ATOM 531 C VAL A 34 -9.620 -8.699 1.272 1.00 0.00 C +ATOM 532 O VAL A 34 -9.247 -9.586 2.039 1.00 0.00 O +ATOM 533 CB VAL A 34 -8.204 -7.218 -0.219 1.00 0.00 C +ATOM 534 CG1 VAL A 34 -7.255 -6.999 0.969 1.00 0.00 C +ATOM 535 CG2 VAL A 34 -7.373 -7.175 -1.504 1.00 0.00 C +ATOM 536 H VAL A 34 -9.993 -7.922 -1.693 1.00 0.00 H +ATOM 537 HA VAL A 34 -8.373 -9.274 -0.253 1.00 0.00 H +ATOM 538 HB VAL A 34 -8.871 -6.514 -0.221 1.00 0.00 H +ATOM 539 HG11 VAL A 34 -6.785 -6.158 0.857 1.00 0.00 H +ATOM 540 HG12 VAL A 34 -7.767 -6.975 1.792 1.00 0.00 H +ATOM 541 HG13 VAL A 34 -6.613 -7.725 1.009 1.00 0.00 H +ATOM 542 HG21 VAL A 34 -6.888 -6.336 -1.548 1.00 0.00 H +ATOM 543 HG22 VAL A 34 -6.744 -7.913 -1.507 1.00 0.00 H +ATOM 544 HG23 VAL A 34 -7.961 -7.248 -2.272 1.00 0.00 H +ATOM 545 N ALA A 35 -10.570 -7.822 1.596 1.00 0.00 N +ATOM 546 CA ALA A 35 -11.163 -7.750 2.916 1.00 0.00 C +ATOM 547 C ALA A 35 -11.786 -9.099 3.292 1.00 0.00 C +ATOM 548 O ALA A 35 -11.433 -9.689 4.314 1.00 0.00 O +ATOM 549 CB ALA A 35 -12.154 -6.582 2.932 1.00 0.00 C +ATOM 550 H ALA A 35 -10.888 -7.246 1.042 1.00 0.00 H +ATOM 551 HA ALA A 35 -10.494 -7.576 3.597 1.00 0.00 H +ATOM 552 HB1 ALA A 35 -12.563 -6.516 3.809 1.00 0.00 H +ATOM 553 HB2 ALA A 35 -11.685 -5.757 2.732 1.00 0.00 H +ATOM 554 HB3 ALA A 35 -12.842 -6.732 2.265 1.00 0.00 H +ATOM 555 N LYS A 36 -12.659 -9.621 2.428 1.00 0.00 N +ATOM 556 CA LYS A 36 -13.283 -10.928 2.578 1.00 0.00 C +ATOM 557 C LYS A 36 -12.232 -12.014 2.810 1.00 0.00 C +ATOM 558 O LYS A 36 -12.356 -12.773 3.766 1.00 0.00 O +ATOM 559 CB LYS A 36 -14.137 -11.254 1.345 1.00 0.00 C +ATOM 560 CG LYS A 36 -15.388 -10.371 1.228 1.00 0.00 C +ATOM 561 CD LYS A 36 -16.529 -10.863 2.132 1.00 0.00 C +ATOM 562 CE LYS A 36 -17.765 -9.960 2.025 1.00 0.00 C +ATOM 563 NZ LYS A 36 -18.336 -9.954 0.666 1.00 0.00 N +ATOM 564 H LYS A 36 -12.909 -9.207 1.717 1.00 0.00 H +ATOM 565 HA LYS A 36 -13.861 -10.902 3.357 1.00 0.00 H +ATOM 566 HB2 LYS A 36 -13.597 -11.147 0.547 1.00 0.00 H +ATOM 567 HB3 LYS A 36 -14.407 -12.185 1.382 1.00 0.00 H +ATOM 568 HG2 LYS A 36 -15.161 -9.458 1.464 1.00 0.00 H +ATOM 569 HG3 LYS A 36 -15.689 -10.360 0.306 1.00 0.00 H +ATOM 570 HD2 LYS A 36 -16.768 -11.770 1.887 1.00 0.00 H +ATOM 571 HD3 LYS A 36 -16.225 -10.889 3.053 1.00 0.00 H +ATOM 572 HE2 LYS A 36 -18.438 -10.260 2.655 1.00 0.00 H +ATOM 573 HE3 LYS A 36 -17.525 -9.055 2.277 1.00 0.00 H +ATOM 574 HZ1 LYS A 36 -19.219 -10.050 0.715 1.00 0.00 H +ATOM 575 HZ2 LYS A 36 -18.143 -9.183 0.266 1.00 0.00 H +ATOM 576 HZ3 LYS A 36 -17.991 -10.626 0.196 1.00 0.00 H +ATOM 577 N GLU A 37 -11.194 -12.081 1.969 1.00 0.00 N +ATOM 578 CA GLU A 37 -10.122 -13.059 2.133 1.00 0.00 C +ATOM 579 C GLU A 37 -9.475 -12.957 3.518 1.00 0.00 C +ATOM 580 O GLU A 37 -9.218 -13.977 4.153 1.00 0.00 O +ATOM 581 CB GLU A 37 -9.080 -12.903 1.017 1.00 0.00 C +ATOM 582 CG GLU A 37 -9.603 -13.429 -0.326 1.00 0.00 C +ATOM 583 CD GLU A 37 -9.614 -14.954 -0.375 1.00 0.00 C +ATOM 584 OE1 GLU A 37 -8.530 -15.518 -0.641 1.00 0.00 O +ATOM 585 OE2 GLU A 37 -10.701 -15.533 -0.153 1.00 0.00 O +ATOM 586 H GLU A 37 -11.095 -11.561 1.291 1.00 0.00 H +ATOM 587 HA GLU A 37 -10.510 -13.945 2.065 1.00 0.00 H +ATOM 588 HB2 GLU A 37 -8.840 -11.968 0.927 1.00 0.00 H +ATOM 589 HB3 GLU A 37 -8.272 -13.381 1.259 1.00 0.00 H +ATOM 590 HG2 GLU A 37 -10.501 -13.095 -0.476 1.00 0.00 H +ATOM 591 HG3 GLU A 37 -9.049 -13.087 -1.045 1.00 0.00 H +ATOM 592 N LEU A 38 -9.208 -11.738 3.998 1.00 0.00 N +ATOM 593 CA LEU A 38 -8.685 -11.547 5.350 1.00 0.00 C +ATOM 594 C LEU A 38 -9.720 -11.914 6.422 1.00 0.00 C +ATOM 595 O LEU A 38 -9.346 -12.240 7.547 1.00 0.00 O +ATOM 596 CB LEU A 38 -8.229 -10.097 5.542 1.00 0.00 C +ATOM 597 CG LEU A 38 -7.079 -9.676 4.614 1.00 0.00 C +ATOM 598 CD1 LEU A 38 -6.875 -8.166 4.747 1.00 0.00 C +ATOM 599 CD2 LEU A 38 -5.771 -10.402 4.945 1.00 0.00 C +ATOM 600 H LEU A 38 -9.324 -11.010 3.555 1.00 0.00 H +ATOM 601 HA LEU A 38 -7.926 -12.143 5.454 1.00 0.00 H +ATOM 602 HB2 LEU A 38 -8.985 -9.508 5.393 1.00 0.00 H +ATOM 603 HB3 LEU A 38 -7.951 -9.974 6.463 1.00 0.00 H +ATOM 604 HG LEU A 38 -7.318 -9.916 3.705 1.00 0.00 H +ATOM 605 HD11 LEU A 38 -6.151 -7.885 4.166 1.00 0.00 H +ATOM 606 HD12 LEU A 38 -7.690 -7.706 4.493 1.00 0.00 H +ATOM 607 HD13 LEU A 38 -6.654 -7.949 5.666 1.00 0.00 H +ATOM 608 HD21 LEU A 38 -5.075 -10.108 4.337 1.00 0.00 H +ATOM 609 HD22 LEU A 38 -5.510 -10.200 5.857 1.00 0.00 H +ATOM 610 HD23 LEU A 38 -5.899 -11.359 4.850 1.00 0.00 H +ATOM 611 N GLY A 39 -11.011 -11.851 6.080 1.00 0.00 N +ATOM 612 CA GLY A 39 -12.143 -12.115 6.965 1.00 0.00 C +ATOM 613 C GLY A 39 -12.999 -10.864 7.170 1.00 0.00 C +ATOM 614 O GLY A 39 -14.140 -10.943 7.631 1.00 0.00 O +ATOM 615 H GLY A 39 -11.259 -11.642 5.284 1.00 0.00 H +ATOM 616 HA2 GLY A 39 -12.689 -12.824 6.591 1.00 0.00 H +ATOM 617 HA3 GLY A 39 -11.818 -12.430 7.823 1.00 0.00 H +ATOM 618 N GLU A 40 -12.459 -9.695 6.820 1.00 0.00 N +ATOM 619 CA GLU A 40 -13.091 -8.406 7.003 1.00 0.00 C +ATOM 620 C GLU A 40 -14.255 -8.269 6.022 1.00 0.00 C +ATOM 621 O GLU A 40 -14.087 -7.823 4.890 1.00 0.00 O +ATOM 622 CB GLU A 40 -12.034 -7.307 6.810 1.00 0.00 C +ATOM 623 CG GLU A 40 -10.865 -7.435 7.795 1.00 0.00 C +ATOM 624 CD GLU A 40 -11.343 -7.307 9.233 1.00 0.00 C +ATOM 625 OE1 GLU A 40 -11.674 -6.165 9.619 1.00 0.00 O +ATOM 626 OE2 GLU A 40 -11.370 -8.345 9.929 1.00 0.00 O +ATOM 627 H GLU A 40 -11.682 -9.638 6.455 1.00 0.00 H +ATOM 628 HA GLU A 40 -13.454 -8.320 7.898 1.00 0.00 H +ATOM 629 HB2 GLU A 40 -11.694 -7.346 5.902 1.00 0.00 H +ATOM 630 HB3 GLU A 40 -12.451 -6.438 6.920 1.00 0.00 H +ATOM 631 HG2 GLU A 40 -10.427 -8.292 7.672 1.00 0.00 H +ATOM 632 HG3 GLU A 40 -10.205 -6.749 7.608 1.00 0.00 H +ATOM 633 N ASN A 41 -15.457 -8.636 6.463 1.00 0.00 N +ATOM 634 CA ASN A 41 -16.663 -8.516 5.652 1.00 0.00 C +ATOM 635 C ASN A 41 -17.110 -7.050 5.618 1.00 0.00 C +ATOM 636 O ASN A 41 -18.120 -6.683 6.214 1.00 0.00 O +ATOM 637 CB ASN A 41 -17.757 -9.451 6.196 1.00 0.00 C +ATOM 638 CG ASN A 41 -17.563 -10.903 5.763 1.00 0.00 C +ATOM 639 OD1 ASN A 41 -18.392 -11.449 5.044 1.00 0.00 O +ATOM 640 ND2 ASN A 41 -16.476 -11.556 6.172 1.00 0.00 N +ATOM 641 H ASN A 41 -15.595 -8.963 7.246 1.00 0.00 H +ATOM 642 HA ASN A 41 -16.482 -8.790 4.739 1.00 0.00 H +ATOM 643 HB2 ASN A 41 -17.764 -9.405 7.165 1.00 0.00 H +ATOM 644 HB3 ASN A 41 -18.624 -9.140 5.891 1.00 0.00 H +ATOM 645 HD21 ASN A 41 -16.349 -12.372 5.932 1.00 0.00 H +ATOM 646 HD22 ASN A 41 -15.902 -11.162 6.676 1.00 0.00 H +ATOM 647 N LEU A 42 -16.342 -6.204 4.925 1.00 0.00 N +ATOM 648 CA LEU A 42 -16.600 -4.770 4.858 1.00 0.00 C +ATOM 649 C LEU A 42 -17.802 -4.454 3.962 1.00 0.00 C +ATOM 650 O LEU A 42 -18.056 -5.130 2.963 1.00 0.00 O +ATOM 651 CB LEU A 42 -15.353 -4.013 4.375 1.00 0.00 C +ATOM 652 CG LEU A 42 -14.147 -4.130 5.324 1.00 0.00 C +ATOM 653 CD1 LEU A 42 -12.932 -3.439 4.697 1.00 0.00 C +ATOM 654 CD2 LEU A 42 -14.409 -3.493 6.695 1.00 0.00 C +ATOM 655 H LEU A 42 -15.651 -6.453 4.478 1.00 0.00 H +ATOM 656 HA LEU A 42 -16.814 -4.471 5.755 1.00 0.00 H +ATOM 657 HB2 LEU A 42 -15.100 -4.349 3.501 1.00 0.00 H +ATOM 658 HB3 LEU A 42 -15.577 -3.076 4.265 1.00 0.00 H +ATOM 659 HG LEU A 42 -13.985 -5.077 5.457 1.00 0.00 H +ATOM 660 HD11 LEU A 42 -12.173 -3.513 5.296 1.00 0.00 H +ATOM 661 HD12 LEU A 42 -12.719 -3.863 3.851 1.00 0.00 H +ATOM 662 HD13 LEU A 42 -13.134 -2.502 4.547 1.00 0.00 H +ATOM 663 HD21 LEU A 42 -13.622 -3.593 7.254 1.00 0.00 H +ATOM 664 HD22 LEU A 42 -14.607 -2.550 6.581 1.00 0.00 H +ATOM 665 HD23 LEU A 42 -15.163 -3.933 7.118 1.00 0.00 H +ATOM 666 N THR A 43 -18.531 -3.400 4.328 1.00 0.00 N +ATOM 667 CA THR A 43 -19.696 -2.910 3.611 1.00 0.00 C +ATOM 668 C THR A 43 -19.286 -2.001 2.452 1.00 0.00 C +ATOM 669 O THR A 43 -18.184 -1.446 2.432 1.00 0.00 O +ATOM 670 CB THR A 43 -20.620 -2.142 4.571 1.00 0.00 C +ATOM 671 OG1 THR A 43 -19.935 -1.036 5.124 1.00 0.00 O +ATOM 672 CG2 THR A 43 -21.143 -3.040 5.696 1.00 0.00 C +ATOM 673 H THR A 43 -18.349 -2.936 5.029 1.00 0.00 H +ATOM 674 HA THR A 43 -20.170 -3.674 3.248 1.00 0.00 H +ATOM 675 HB THR A 43 -21.382 -1.831 4.057 1.00 0.00 H +ATOM 676 HG1 THR A 43 -20.423 -0.662 5.697 1.00 0.00 H +ATOM 677 HG21 THR A 43 -21.720 -2.524 6.280 1.00 0.00 H +ATOM 678 HG22 THR A 43 -21.645 -3.777 5.315 1.00 0.00 H +ATOM 679 HG23 THR A 43 -20.395 -3.388 6.206 1.00 0.00 H +ATOM 680 N GLU A 44 -20.225 -1.802 1.522 1.00 0.00 N +ATOM 681 CA GLU A 44 -20.113 -0.864 0.419 1.00 0.00 C +ATOM 682 C GLU A 44 -19.630 0.490 0.936 1.00 0.00 C +ATOM 683 O GLU A 44 -18.727 1.090 0.364 1.00 0.00 O +ATOM 684 CB GLU A 44 -21.476 -0.683 -0.276 1.00 0.00 C +ATOM 685 CG GLU A 44 -22.042 -1.948 -0.942 1.00 0.00 C +ATOM 686 CD GLU A 44 -22.627 -2.983 0.021 1.00 0.00 C +ATOM 687 OE1 GLU A 44 -22.823 -2.639 1.208 1.00 0.00 O +ATOM 688 OE2 GLU A 44 -22.837 -4.124 -0.442 1.00 0.00 O +ATOM 689 H GLU A 44 -20.971 -2.230 1.523 1.00 0.00 H +ATOM 690 HA GLU A 44 -19.475 -1.218 -0.220 1.00 0.00 H +ATOM 691 HB2 GLU A 44 -22.117 -0.364 0.378 1.00 0.00 H +ATOM 692 HB3 GLU A 44 -21.390 0.010 -0.950 1.00 0.00 H +ATOM 693 HG2 GLU A 44 -22.733 -1.684 -1.570 1.00 0.00 H +ATOM 694 HG3 GLU A 44 -21.336 -2.369 -1.457 1.00 0.00 H +ATOM 695 N GLU A 45 -20.245 0.963 2.022 1.00 0.00 N +ATOM 696 CA GLU A 45 -19.971 2.280 2.567 1.00 0.00 C +ATOM 697 C GLU A 45 -18.540 2.353 3.099 1.00 0.00 C +ATOM 698 O GLU A 45 -17.787 3.240 2.706 1.00 0.00 O +ATOM 699 CB GLU A 45 -20.999 2.635 3.653 1.00 0.00 C +ATOM 700 CG GLU A 45 -22.451 2.425 3.195 1.00 0.00 C +ATOM 701 CD GLU A 45 -22.755 3.108 1.864 1.00 0.00 C +ATOM 702 OE1 GLU A 45 -22.870 4.351 1.881 1.00 0.00 O +ATOM 703 OE2 GLU A 45 -22.852 2.370 0.860 1.00 0.00 O +ATOM 704 H GLU A 45 -20.837 0.520 2.462 1.00 0.00 H +ATOM 705 HA GLU A 45 -20.053 2.937 1.858 1.00 0.00 H +ATOM 706 HB2 GLU A 45 -20.831 2.093 4.440 1.00 0.00 H +ATOM 707 HB3 GLU A 45 -20.878 3.561 3.916 1.00 0.00 H +ATOM 708 HG2 GLU A 45 -22.626 1.474 3.114 1.00 0.00 H +ATOM 709 HG3 GLU A 45 -23.053 2.767 3.874 1.00 0.00 H +ATOM 710 N GLU A 46 -18.152 1.407 3.963 1.00 0.00 N +ATOM 711 CA GLU A 46 -16.789 1.348 4.483 1.00 0.00 C +ATOM 712 C GLU A 46 -15.785 1.376 3.330 1.00 0.00 C +ATOM 713 O GLU A 46 -14.857 2.187 3.320 1.00 0.00 O +ATOM 714 CB GLU A 46 -16.601 0.080 5.323 1.00 0.00 C +ATOM 715 CG GLU A 46 -17.345 0.172 6.660 1.00 0.00 C +ATOM 716 CD GLU A 46 -17.359 -1.182 7.359 1.00 0.00 C +ATOM 717 OE1 GLU A 46 -18.004 -2.088 6.786 1.00 0.00 O +ATOM 718 OE2 GLU A 46 -16.718 -1.290 8.427 1.00 0.00 O +ATOM 719 H GLU A 46 -18.670 0.788 4.259 1.00 0.00 H +ATOM 720 HA GLU A 46 -16.634 2.121 5.048 1.00 0.00 H +ATOM 721 HB2 GLU A 46 -16.922 -0.689 4.826 1.00 0.00 H +ATOM 722 HB3 GLU A 46 -15.656 -0.063 5.487 1.00 0.00 H +ATOM 723 HG2 GLU A 46 -16.918 0.831 7.229 1.00 0.00 H +ATOM 724 HG3 GLU A 46 -18.255 0.474 6.510 1.00 0.00 H +ATOM 725 N LEU A 47 -15.988 0.501 2.342 1.00 0.00 N +ATOM 726 CA LEU A 47 -15.123 0.487 1.177 1.00 0.00 C +ATOM 727 C LEU A 47 -15.135 1.837 0.466 1.00 0.00 C +ATOM 728 O LEU A 47 -14.073 2.349 0.137 1.00 0.00 O +ATOM 729 CB LEU A 47 -15.499 -0.648 0.222 1.00 0.00 C +ATOM 730 CG LEU A 47 -15.272 -2.043 0.822 1.00 0.00 C +ATOM 731 CD1 LEU A 47 -15.520 -3.079 -0.270 1.00 0.00 C +ATOM 732 CD2 LEU A 47 -13.854 -2.217 1.369 1.00 0.00 C +ATOM 733 H LEU A 47 -16.617 -0.085 2.333 1.00 0.00 H +ATOM 734 HA LEU A 47 -14.217 0.324 1.483 1.00 0.00 H +ATOM 735 HB2 LEU A 47 -16.432 -0.557 -0.027 1.00 0.00 H +ATOM 736 HB3 LEU A 47 -14.978 -0.564 -0.592 1.00 0.00 H +ATOM 737 HG LEU A 47 -15.884 -2.158 1.566 1.00 0.00 H +ATOM 738 HD11 LEU A 47 -15.381 -3.969 0.090 1.00 0.00 H +ATOM 739 HD12 LEU A 47 -16.432 -2.999 -0.591 1.00 0.00 H +ATOM 740 HD13 LEU A 47 -14.905 -2.929 -1.005 1.00 0.00 H +ATOM 741 HD21 LEU A 47 -13.756 -3.109 1.737 1.00 0.00 H +ATOM 742 HD22 LEU A 47 -13.213 -2.091 0.652 1.00 0.00 H +ATOM 743 HD23 LEU A 47 -13.693 -1.561 2.065 1.00 0.00 H +ATOM 744 N GLN A 48 -16.300 2.437 0.224 1.00 0.00 N +ATOM 745 CA GLN A 48 -16.361 3.723 -0.456 1.00 0.00 C +ATOM 746 C GLN A 48 -15.653 4.822 0.323 1.00 0.00 C +ATOM 747 O GLN A 48 -15.049 5.698 -0.286 1.00 0.00 O +ATOM 748 CB GLN A 48 -17.803 4.125 -0.783 1.00 0.00 C +ATOM 749 CG GLN A 48 -18.158 3.406 -2.077 1.00 0.00 C +ATOM 750 CD GLN A 48 -19.546 3.700 -2.616 1.00 0.00 C +ATOM 751 OE1 GLN A 48 -20.391 4.293 -1.954 1.00 0.00 O +ATOM 752 NE2 GLN A 48 -19.777 3.273 -3.853 1.00 0.00 N +ATOM 753 H GLN A 48 -17.065 2.113 0.447 1.00 0.00 H +ATOM 754 HA GLN A 48 -15.886 3.612 -1.294 1.00 0.00 H +ATOM 755 HB2 GLN A 48 -18.405 3.869 -0.067 1.00 0.00 H +ATOM 756 HB3 GLN A 48 -17.880 5.086 -0.888 1.00 0.00 H +ATOM 757 HG2 GLN A 48 -17.506 3.646 -2.754 1.00 0.00 H +ATOM 758 HG3 GLN A 48 -18.078 2.450 -1.932 1.00 0.00 H +ATOM 759 HE21 GLN A 48 -19.160 2.860 -4.288 1.00 0.00 H +ATOM 760 HE22 GLN A 48 -20.543 3.409 -4.219 1.00 0.00 H +ATOM 761 N GLU A 49 -15.693 4.791 1.653 1.00 0.00 N +ATOM 762 CA GLU A 49 -14.917 5.729 2.443 1.00 0.00 C +ATOM 763 C GLU A 49 -13.422 5.547 2.146 1.00 0.00 C +ATOM 764 O GLU A 49 -12.731 6.517 1.838 1.00 0.00 O +ATOM 765 CB GLU A 49 -15.248 5.560 3.930 1.00 0.00 C +ATOM 766 CG GLU A 49 -16.686 5.997 4.248 1.00 0.00 C +ATOM 767 CD GLU A 49 -17.088 5.593 5.663 1.00 0.00 C +ATOM 768 OE1 GLU A 49 -16.654 6.302 6.598 1.00 0.00 O +ATOM 769 OE2 GLU A 49 -17.814 4.582 5.787 1.00 0.00 O +ATOM 770 H GLU A 49 -16.163 4.235 2.112 1.00 0.00 H +ATOM 771 HA GLU A 49 -15.149 6.639 2.201 1.00 0.00 H +ATOM 772 HB2 GLU A 49 -15.128 4.632 4.184 1.00 0.00 H +ATOM 773 HB3 GLU A 49 -14.626 6.082 4.461 1.00 0.00 H +ATOM 774 HG2 GLU A 49 -16.763 6.959 4.150 1.00 0.00 H +ATOM 775 HG3 GLU A 49 -17.297 5.597 3.609 1.00 0.00 H +ATOM 776 N MET A 50 -12.927 4.306 2.197 1.00 0.00 N +ATOM 777 CA MET A 50 -11.534 4.006 1.867 1.00 0.00 C +ATOM 778 C MET A 50 -11.189 4.503 0.461 1.00 0.00 C +ATOM 779 O MET A 50 -10.206 5.225 0.282 1.00 0.00 O +ATOM 780 CB MET A 50 -11.266 2.502 1.992 1.00 0.00 C +ATOM 781 CG MET A 50 -11.469 2.007 3.427 1.00 0.00 C +ATOM 782 SD MET A 50 -11.543 0.210 3.596 1.00 0.00 S +ATOM 783 CE MET A 50 -9.850 -0.231 3.149 1.00 0.00 C +ATOM 784 H MET A 50 -13.390 3.618 2.424 1.00 0.00 H +ATOM 785 HA MET A 50 -10.964 4.472 2.498 1.00 0.00 H +ATOM 786 HB2 MET A 50 -11.858 2.017 1.396 1.00 0.00 H +ATOM 787 HB3 MET A 50 -10.358 2.310 1.709 1.00 0.00 H +ATOM 788 HG2 MET A 50 -10.745 2.343 3.978 1.00 0.00 H +ATOM 789 HG3 MET A 50 -12.291 2.387 3.775 1.00 0.00 H +ATOM 790 HE1 MET A 50 -9.743 -1.194 3.198 1.00 0.00 H +ATOM 791 HE2 MET A 50 -9.665 0.069 2.245 1.00 0.00 H +ATOM 792 HE3 MET A 50 -9.232 0.194 3.764 1.00 0.00 H +ATOM 793 N ILE A 51 -12.018 4.122 -0.521 1.00 0.00 N +ATOM 794 CA ILE A 51 -11.915 4.558 -1.905 1.00 0.00 C +ATOM 795 C ILE A 51 -11.734 6.071 -1.914 1.00 0.00 C +ATOM 796 O ILE A 51 -10.714 6.573 -2.370 1.00 0.00 O +ATOM 797 CB ILE A 51 -13.154 4.145 -2.732 1.00 0.00 C +ATOM 798 CG1 ILE A 51 -13.249 2.629 -2.986 1.00 0.00 C +ATOM 799 CG2 ILE A 51 -13.291 4.903 -4.064 1.00 0.00 C +ATOM 800 CD1 ILE A 51 -12.354 2.146 -4.131 1.00 0.00 C +ATOM 801 H ILE A 51 -12.675 3.584 -0.386 1.00 0.00 H +ATOM 802 HA ILE A 51 -11.152 4.127 -2.321 1.00 0.00 H +ATOM 803 HB ILE A 51 -13.898 4.402 -2.165 1.00 0.00 H +ATOM 804 HG12 ILE A 51 -13.007 2.156 -2.174 1.00 0.00 H +ATOM 805 HG13 ILE A 51 -14.170 2.398 -3.185 1.00 0.00 H +ATOM 806 HG21 ILE A 51 -14.085 4.597 -4.530 1.00 0.00 H +ATOM 807 HG22 ILE A 51 -13.365 5.854 -3.889 1.00 0.00 H +ATOM 808 HG23 ILE A 51 -12.509 4.736 -4.613 1.00 0.00 H +ATOM 809 HD11 ILE A 51 -12.458 1.188 -4.241 1.00 0.00 H +ATOM 810 HD12 ILE A 51 -12.608 2.595 -4.952 1.00 0.00 H +ATOM 811 HD13 ILE A 51 -11.428 2.349 -3.926 1.00 0.00 H +ATOM 812 N ALA A 52 -12.726 6.788 -1.390 1.00 0.00 N +ATOM 813 CA ALA A 52 -12.805 8.234 -1.432 1.00 0.00 C +ATOM 814 C ALA A 52 -11.592 8.879 -0.753 1.00 0.00 C +ATOM 815 O ALA A 52 -11.086 9.891 -1.227 1.00 0.00 O +ATOM 816 CB ALA A 52 -14.140 8.655 -0.811 1.00 0.00 C +ATOM 817 H ALA A 52 -13.394 6.426 -0.986 1.00 0.00 H +ATOM 818 HA ALA A 52 -12.778 8.550 -2.349 1.00 0.00 H +ATOM 819 HB1 ALA A 52 -14.215 9.622 -0.829 1.00 0.00 H +ATOM 820 HB2 ALA A 52 -14.870 8.266 -1.318 1.00 0.00 H +ATOM 821 HB3 ALA A 52 -14.182 8.345 0.107 1.00 0.00 H +ATOM 822 N GLU A 53 -11.100 8.278 0.335 1.00 0.00 N +ATOM 823 CA GLU A 53 -9.912 8.753 1.033 1.00 0.00 C +ATOM 824 C GLU A 53 -8.680 8.770 0.117 1.00 0.00 C +ATOM 825 O GLU A 53 -7.834 9.656 0.237 1.00 0.00 O +ATOM 826 CB GLU A 53 -9.664 7.873 2.268 1.00 0.00 C +ATOM 827 CG GLU A 53 -8.832 8.576 3.347 1.00 0.00 C +ATOM 828 CD GLU A 53 -9.663 9.614 4.096 1.00 0.00 C +ATOM 829 OE1 GLU A 53 -10.339 9.207 5.064 1.00 0.00 O +ATOM 830 OE2 GLU A 53 -9.612 10.796 3.693 1.00 0.00 O +ATOM 831 H GLU A 53 -11.453 7.578 0.688 1.00 0.00 H +ATOM 832 HA GLU A 53 -10.065 9.669 1.313 1.00 0.00 H +ATOM 833 HB2 GLU A 53 -10.517 7.607 2.646 1.00 0.00 H +ATOM 834 HB3 GLU A 53 -9.210 7.061 1.994 1.00 0.00 H +ATOM 835 HG2 GLU A 53 -8.489 7.920 3.973 1.00 0.00 H +ATOM 836 HG3 GLU A 53 -8.065 9.006 2.938 1.00 0.00 H +ATOM 837 N ALA A 54 -8.549 7.769 -0.759 1.00 0.00 N +ATOM 838 CA ALA A 54 -7.393 7.625 -1.645 1.00 0.00 C +ATOM 839 C ALA A 54 -7.617 8.272 -3.020 1.00 0.00 C +ATOM 840 O ALA A 54 -6.678 8.773 -3.637 1.00 0.00 O +ATOM 841 CB ALA A 54 -7.080 6.136 -1.799 1.00 0.00 C +ATOM 842 H ALA A 54 -9.137 7.149 -0.855 1.00 0.00 H +ATOM 843 HA ALA A 54 -6.643 8.091 -1.244 1.00 0.00 H +ATOM 844 HB1 ALA A 54 -6.315 6.025 -2.385 1.00 0.00 H +ATOM 845 HB2 ALA A 54 -6.879 5.756 -0.930 1.00 0.00 H +ATOM 846 HB3 ALA A 54 -7.847 5.682 -2.181 1.00 0.00 H +ATOM 847 N ASP A 55 -8.844 8.198 -3.533 1.00 0.00 N +ATOM 848 CA ASP A 55 -9.208 8.558 -4.894 1.00 0.00 C +ATOM 849 C ASP A 55 -9.188 10.081 -5.074 1.00 0.00 C +ATOM 850 O ASP A 55 -9.936 10.794 -4.411 1.00 0.00 O +ATOM 851 CB ASP A 55 -10.589 7.956 -5.209 1.00 0.00 C +ATOM 852 CG ASP A 55 -11.044 8.156 -6.655 1.00 0.00 C +ATOM 853 OD1 ASP A 55 -10.762 9.245 -7.197 1.00 0.00 O +ATOM 854 OD2 ASP A 55 -11.692 7.230 -7.193 1.00 0.00 O +ATOM 855 H ASP A 55 -9.516 7.923 -3.072 1.00 0.00 H +ATOM 856 HA ASP A 55 -8.561 8.197 -5.520 1.00 0.00 H +ATOM 857 HB2 ASP A 55 -10.568 7.006 -5.015 1.00 0.00 H +ATOM 858 HB3 ASP A 55 -11.246 8.352 -4.616 1.00 0.00 H +ATOM 859 N ARG A 56 -8.373 10.564 -6.016 1.00 0.00 N +ATOM 860 CA ARG A 56 -8.355 11.942 -6.495 1.00 0.00 C +ATOM 861 C ARG A 56 -8.537 11.992 -8.023 1.00 0.00 C +ATOM 862 O ARG A 56 -8.234 13.009 -8.643 1.00 0.00 O +ATOM 863 CB ARG A 56 -7.048 12.612 -6.034 1.00 0.00 C +ATOM 864 CG ARG A 56 -5.813 12.152 -6.824 1.00 0.00 C +ATOM 865 CD ARG A 56 -4.529 12.289 -5.995 1.00 0.00 C +ATOM 866 NE ARG A 56 -4.314 13.662 -5.511 1.00 0.00 N +ATOM 867 CZ ARG A 56 -3.751 14.657 -6.212 1.00 0.00 C +ATOM 868 NH1 ARG A 56 -3.414 14.477 -7.494 1.00 0.00 N +ATOM 869 NH2 ARG A 56 -3.528 15.835 -5.622 1.00 0.00 N +ATOM 870 H ARG A 56 -7.789 10.070 -6.409 1.00 0.00 H +ATOM 871 HA ARG A 56 -9.099 12.436 -6.117 1.00 0.00 H +ATOM 872 HB2 ARG A 56 -7.138 13.574 -6.120 1.00 0.00 H +ATOM 873 HB3 ARG A 56 -6.910 12.423 -5.093 1.00 0.00 H +ATOM 874 HG2 ARG A 56 -5.927 11.228 -7.095 1.00 0.00 H +ATOM 875 HG3 ARG A 56 -5.733 12.677 -7.635 1.00 0.00 H +ATOM 876 HD2 ARG A 56 -4.571 11.685 -5.237 1.00 0.00 H +ATOM 877 HD3 ARG A 56 -3.769 12.016 -6.533 1.00 0.00 H +ATOM 878 HE ARG A 56 -4.571 13.842 -4.710 1.00 0.00 H +ATOM 879 HH11 ARG A 56 -3.558 13.719 -7.874 1.00 0.00 H +ATOM 880 HH12 ARG A 56 -3.053 15.119 -7.938 1.00 0.00 H +ATOM 881 HH21 ARG A 56 -3.745 15.951 -4.798 1.00 0.00 H +ATOM 882 HH22 ARG A 56 -3.167 16.477 -6.066 1.00 0.00 H +ATOM 883 N ASN A 57 -9.003 10.892 -8.630 1.00 0.00 N +ATOM 884 CA ASN A 57 -9.161 10.725 -10.077 1.00 0.00 C +ATOM 885 C ASN A 57 -10.638 10.665 -10.489 1.00 0.00 C +ATOM 886 O ASN A 57 -10.954 10.816 -11.667 1.00 0.00 O +ATOM 887 CB ASN A 57 -8.368 9.498 -10.569 1.00 0.00 C +ATOM 888 CG ASN A 57 -8.871 8.155 -10.035 1.00 0.00 C +ATOM 889 OD1 ASN A 57 -10.019 8.031 -9.627 1.00 0.00 O +ATOM 890 ND2 ASN A 57 -8.023 7.130 -10.023 1.00 0.00 N +ATOM 891 H ASN A 57 -9.245 10.195 -8.188 1.00 0.00 H +ATOM 892 HA ASN A 57 -8.791 11.509 -10.512 1.00 0.00 H +ATOM 893 HB2 ASN A 57 -8.396 9.478 -11.538 1.00 0.00 H +ATOM 894 HB3 ASN A 57 -7.438 9.606 -10.314 1.00 0.00 H +ATOM 895 HD21 ASN A 57 -8.278 6.364 -9.725 1.00 0.00 H +ATOM 896 HD22 ASN A 57 -7.220 7.233 -10.313 1.00 0.00 H +ATOM 897 N ASP A 58 -11.538 10.440 -9.525 1.00 0.00 N +ATOM 898 CA ASP A 58 -12.984 10.360 -9.693 1.00 0.00 C +ATOM 899 C ASP A 58 -13.406 9.218 -10.622 1.00 0.00 C +ATOM 900 O ASP A 58 -14.454 9.311 -11.259 1.00 0.00 O +ATOM 901 CB ASP A 58 -13.563 11.714 -10.132 1.00 0.00 C +ATOM 902 CG ASP A 58 -13.208 12.832 -9.158 1.00 0.00 C +ATOM 903 OD1 ASP A 58 -13.737 12.782 -8.026 1.00 0.00 O +ATOM 904 OD2 ASP A 58 -12.416 13.713 -9.557 1.00 0.00 O +ATOM 905 H ASP A 58 -11.300 10.324 -8.707 1.00 0.00 H +ATOM 906 HA ASP A 58 -13.363 10.148 -8.826 1.00 0.00 H +ATOM 907 HB2 ASP A 58 -13.228 11.937 -11.015 1.00 0.00 H +ATOM 908 HB3 ASP A 58 -14.528 11.644 -10.204 1.00 0.00 H +ATOM 909 N ASP A 59 -12.627 8.127 -10.674 1.00 0.00 N +ATOM 910 CA ASP A 59 -12.938 6.948 -11.483 1.00 0.00 C +ATOM 911 C ASP A 59 -13.337 5.734 -10.634 1.00 0.00 C +ATOM 912 O ASP A 59 -13.737 4.723 -11.200 1.00 0.00 O +ATOM 913 CB ASP A 59 -11.802 6.638 -12.475 1.00 0.00 C +ATOM 914 CG ASP A 59 -10.779 5.608 -11.994 1.00 0.00 C +ATOM 915 OD1 ASP A 59 -10.531 5.557 -10.773 1.00 0.00 O +ATOM 916 OD2 ASP A 59 -10.258 4.882 -12.867 1.00 0.00 O +ATOM 917 H ASP A 59 -11.893 8.055 -10.232 1.00 0.00 H +ATOM 918 HA ASP A 59 -13.724 7.161 -12.009 1.00 0.00 H +ATOM 919 HB2 ASP A 59 -12.194 6.321 -13.304 1.00 0.00 H +ATOM 920 HB3 ASP A 59 -11.336 7.464 -12.679 1.00 0.00 H +ATOM 921 N ASN A 60 -13.228 5.818 -9.301 1.00 0.00 N +ATOM 922 CA ASN A 60 -13.612 4.775 -8.342 1.00 0.00 C +ATOM 923 C ASN A 60 -12.592 3.631 -8.230 1.00 0.00 C +ATOM 924 O ASN A 60 -12.871 2.611 -7.603 1.00 0.00 O +ATOM 925 CB ASN A 60 -15.084 4.323 -8.515 1.00 0.00 C +ATOM 926 CG ASN A 60 -15.288 2.857 -8.921 1.00 0.00 C +ATOM 927 OD1 ASN A 60 -15.836 2.067 -8.157 1.00 0.00 O +ATOM 928 ND2 ASN A 60 -14.876 2.477 -10.126 1.00 0.00 N +ATOM 929 H ASN A 60 -12.913 6.519 -8.915 1.00 0.00 H +ATOM 930 HA ASN A 60 -13.581 5.188 -7.465 1.00 0.00 H +ATOM 931 HB2 ASN A 60 -15.553 4.478 -7.680 1.00 0.00 H +ATOM 932 HB3 ASN A 60 -15.502 4.888 -9.184 1.00 0.00 H +ATOM 933 HD21 ASN A 60 -14.991 1.665 -10.383 1.00 0.00 H +ATOM 934 HD22 ASN A 60 -14.494 3.044 -10.648 1.00 0.00 H +ATOM 935 N GLU A 61 -11.391 3.805 -8.790 1.00 0.00 N +ATOM 936 CA GLU A 61 -10.320 2.823 -8.731 1.00 0.00 C +ATOM 937 C GLU A 61 -9.044 3.523 -8.257 1.00 0.00 C +ATOM 938 O GLU A 61 -8.685 4.577 -8.786 1.00 0.00 O +ATOM 939 CB GLU A 61 -10.107 2.186 -10.109 1.00 0.00 C +ATOM 940 CG GLU A 61 -11.408 1.941 -10.877 1.00 0.00 C +ATOM 941 CD GLU A 61 -11.188 1.148 -12.161 1.00 0.00 C +ATOM 942 OE1 GLU A 61 -10.144 1.385 -12.808 1.00 0.00 O +ATOM 943 OE2 GLU A 61 -12.069 0.318 -12.469 1.00 0.00 O +ATOM 944 H GLU A 61 -11.178 4.516 -9.224 1.00 0.00 H +ATOM 945 HA GLU A 61 -10.553 2.116 -8.110 1.00 0.00 H +ATOM 946 HB2 GLU A 61 -9.531 2.761 -10.637 1.00 0.00 H +ATOM 947 HB3 GLU A 61 -9.641 1.342 -9.999 1.00 0.00 H +ATOM 948 HG2 GLU A 61 -12.031 1.463 -10.308 1.00 0.00 H +ATOM 949 HG3 GLU A 61 -11.818 2.793 -11.093 1.00 0.00 H +ATOM 950 N ILE A 62 -8.348 2.950 -7.271 1.00 0.00 N +ATOM 951 CA ILE A 62 -7.140 3.559 -6.743 1.00 0.00 C +ATOM 952 C ILE A 62 -5.996 3.229 -7.692 1.00 0.00 C +ATOM 953 O ILE A 62 -5.612 2.067 -7.815 1.00 0.00 O +ATOM 954 CB ILE A 62 -6.822 3.094 -5.317 1.00 0.00 C +ATOM 955 CG1 ILE A 62 -8.049 3.112 -4.404 1.00 0.00 C +ATOM 956 CG2 ILE A 62 -5.716 3.960 -4.707 1.00 0.00 C +ATOM 957 CD1 ILE A 62 -8.854 4.404 -4.492 1.00 0.00 C +ATOM 958 H ILE A 62 -8.565 2.206 -6.898 1.00 0.00 H +ATOM 959 HA ILE A 62 -7.270 4.519 -6.685 1.00 0.00 H +ATOM 960 HB ILE A 62 -6.522 2.174 -5.385 1.00 0.00 H +ATOM 961 HG12 ILE A 62 -8.624 2.365 -4.632 1.00 0.00 H +ATOM 962 HG13 ILE A 62 -7.763 2.980 -3.487 1.00 0.00 H +ATOM 963 HG21 ILE A 62 -5.526 3.655 -3.806 1.00 0.00 H +ATOM 964 HG22 ILE A 62 -4.914 3.890 -5.248 1.00 0.00 H +ATOM 965 HG23 ILE A 62 -6.007 4.885 -4.680 1.00 0.00 H +ATOM 966 HD11 ILE A 62 -9.615 4.353 -3.892 1.00 0.00 H +ATOM 967 HD12 ILE A 62 -8.293 5.153 -4.238 1.00 0.00 H +ATOM 968 HD13 ILE A 62 -9.167 4.529 -5.401 1.00 0.00 H +ATOM 969 N ASP A 63 -5.468 4.236 -8.379 1.00 0.00 N +ATOM 970 CA ASP A 63 -4.326 4.074 -9.263 1.00 0.00 C +ATOM 971 C ASP A 63 -3.027 4.062 -8.454 1.00 0.00 C +ATOM 972 O ASP A 63 -3.017 4.361 -7.258 1.00 0.00 O +ATOM 973 CB ASP A 63 -4.330 5.142 -10.369 1.00 0.00 C +ATOM 974 CG ASP A 63 -4.238 6.567 -9.835 1.00 0.00 C +ATOM 975 OD1 ASP A 63 -3.260 6.847 -9.106 1.00 0.00 O +ATOM 976 OD2 ASP A 63 -5.156 7.351 -10.167 1.00 0.00 O +ATOM 977 H ASP A 63 -5.768 5.041 -8.343 1.00 0.00 H +ATOM 978 HA ASP A 63 -4.391 3.216 -9.712 1.00 0.00 H +ATOM 979 HB2 ASP A 63 -3.585 4.980 -10.969 1.00 0.00 H +ATOM 980 HB3 ASP A 63 -5.141 5.052 -10.893 1.00 0.00 H +ATOM 981 N GLU A 64 -1.927 3.701 -9.118 1.00 0.00 N +ATOM 982 CA GLU A 64 -0.637 3.516 -8.473 1.00 0.00 C +ATOM 983 C GLU A 64 -0.227 4.764 -7.684 1.00 0.00 C +ATOM 984 O GLU A 64 0.132 4.657 -6.515 1.00 0.00 O +ATOM 985 CB GLU A 64 0.408 3.115 -9.525 1.00 0.00 C +ATOM 986 CG GLU A 64 1.611 2.427 -8.869 1.00 0.00 C +ATOM 987 CD GLU A 64 2.731 2.190 -9.874 1.00 0.00 C +ATOM 988 OE1 GLU A 64 2.443 1.531 -10.897 1.00 0.00 O +ATOM 989 OE2 GLU A 64 3.853 2.669 -9.603 1.00 0.00 O +ATOM 990 H GLU A 64 -1.914 3.556 -9.966 1.00 0.00 H +ATOM 991 HA GLU A 64 -0.701 2.797 -7.825 1.00 0.00 H +ATOM 992 HB2 GLU A 64 0.005 2.519 -10.175 1.00 0.00 H +ATOM 993 HB3 GLU A 64 0.705 3.902 -10.008 1.00 0.00 H +ATOM 994 HG2 GLU A 64 1.940 2.974 -8.138 1.00 0.00 H +ATOM 995 HG3 GLU A 64 1.333 1.580 -8.486 1.00 0.00 H +ATOM 996 N ASP A 65 -0.306 5.944 -8.310 1.00 0.00 N +ATOM 997 CA ASP A 65 0.037 7.213 -7.672 1.00 0.00 C +ATOM 998 C ASP A 65 -0.773 7.425 -6.392 1.00 0.00 C +ATOM 999 O ASP A 65 -0.212 7.676 -5.330 1.00 0.00 O +ATOM 1000 CB ASP A 65 -0.181 8.376 -8.649 1.00 0.00 C +ATOM 1001 CG ASP A 65 -0.035 9.719 -7.939 1.00 0.00 C +ATOM 1002 OD1 ASP A 65 1.125 10.125 -7.718 1.00 0.00 O +ATOM 1003 OD2 ASP A 65 -1.089 10.310 -7.613 1.00 0.00 O +ATOM 1004 H ASP A 65 -0.564 6.027 -9.126 1.00 0.00 H +ATOM 1005 HA ASP A 65 0.975 7.184 -7.427 1.00 0.00 H +ATOM 1006 HB2 ASP A 65 0.460 8.318 -9.375 1.00 0.00 H +ATOM 1007 HB3 ASP A 65 -1.064 8.310 -9.045 1.00 0.00 H +ATOM 1008 N GLU A 66 -2.101 7.330 -6.493 1.00 0.00 N +ATOM 1009 CA GLU A 66 -2.985 7.476 -5.345 1.00 0.00 C +ATOM 1010 C GLU A 66 -2.608 6.488 -4.242 1.00 0.00 C +ATOM 1011 O GLU A 66 -2.569 6.840 -3.062 1.00 0.00 O +ATOM 1012 CB GLU A 66 -4.423 7.219 -5.785 1.00 0.00 C +ATOM 1013 CG GLU A 66 -4.944 8.343 -6.687 1.00 0.00 C +ATOM 1014 CD GLU A 66 -6.239 7.951 -7.383 1.00 0.00 C +ATOM 1015 OE1 GLU A 66 -6.454 6.733 -7.560 1.00 0.00 O +ATOM 1016 OE2 GLU A 66 -6.995 8.879 -7.737 1.00 0.00 O +ATOM 1017 H GLU A 66 -2.511 7.179 -7.234 1.00 0.00 H +ATOM 1018 HA GLU A 66 -2.898 8.377 -4.996 1.00 0.00 H +ATOM 1019 HB2 GLU A 66 -4.471 6.374 -6.259 1.00 0.00 H +ATOM 1020 HB3 GLU A 66 -4.992 7.139 -5.004 1.00 0.00 H +ATOM 1021 HG2 GLU A 66 -5.090 9.142 -6.157 1.00 0.00 H +ATOM 1022 HG3 GLU A 66 -4.273 8.562 -7.352 1.00 0.00 H +ATOM 1023 N PHE A 67 -2.346 5.238 -4.626 1.00 0.00 N +ATOM 1024 CA PHE A 67 -2.008 4.211 -3.660 1.00 0.00 C +ATOM 1025 C PHE A 67 -0.700 4.572 -2.957 1.00 0.00 C +ATOM 1026 O PHE A 67 -0.661 4.620 -1.733 1.00 0.00 O +ATOM 1027 CB PHE A 67 -1.950 2.840 -4.339 1.00 0.00 C +ATOM 1028 CG PHE A 67 -1.906 1.695 -3.351 1.00 0.00 C +ATOM 1029 CD1 PHE A 67 -2.988 1.483 -2.478 1.00 0.00 C +ATOM 1030 CD2 PHE A 67 -0.794 0.837 -3.305 1.00 0.00 C +ATOM 1031 CE1 PHE A 67 -2.968 0.406 -1.579 1.00 0.00 C +ATOM 1032 CE2 PHE A 67 -0.788 -0.259 -2.428 1.00 0.00 C +ATOM 1033 CZ PHE A 67 -1.885 -0.489 -1.580 1.00 0.00 C +ATOM 1034 H PHE A 67 -2.360 4.971 -5.443 1.00 0.00 H +ATOM 1035 HA PHE A 67 -2.699 4.160 -2.981 1.00 0.00 H +ATOM 1036 HB2 PHE A 67 -2.725 2.736 -4.914 1.00 0.00 H +ATOM 1037 HB3 PHE A 67 -1.166 2.799 -4.909 1.00 0.00 H +ATOM 1038 HD1 PHE A 67 -3.719 2.058 -2.497 1.00 0.00 H +ATOM 1039 HD2 PHE A 67 -0.062 0.995 -3.856 1.00 0.00 H +ATOM 1040 HE1 PHE A 67 -3.671 0.285 -0.983 1.00 0.00 H +ATOM 1041 HE2 PHE A 67 -0.057 -0.834 -2.408 1.00 0.00 H +ATOM 1042 HZ PHE A 67 -1.894 -1.232 -1.021 1.00 0.00 H +ATOM 1043 N ILE A 68 0.348 4.886 -3.723 1.00 0.00 N +ATOM 1044 CA ILE A 68 1.611 5.400 -3.200 1.00 0.00 C +ATOM 1045 C ILE A 68 1.339 6.530 -2.200 1.00 0.00 C +ATOM 1046 O ILE A 68 1.812 6.489 -1.063 1.00 0.00 O +ATOM 1047 CB ILE A 68 2.520 5.823 -4.379 1.00 0.00 C +ATOM 1048 CG1 ILE A 68 3.093 4.580 -5.089 1.00 0.00 C +ATOM 1049 CG2 ILE A 68 3.669 6.730 -3.917 1.00 0.00 C +ATOM 1050 CD1 ILE A 68 3.641 4.861 -6.493 1.00 0.00 C +ATOM 1051 H ILE A 68 0.341 4.803 -4.579 1.00 0.00 H +ATOM 1052 HA ILE A 68 2.087 4.711 -2.711 1.00 0.00 H +ATOM 1053 HB ILE A 68 1.971 6.327 -5.000 1.00 0.00 H +ATOM 1054 HG12 ILE A 68 3.803 4.206 -4.544 1.00 0.00 H +ATOM 1055 HG13 ILE A 68 2.398 3.906 -5.152 1.00 0.00 H +ATOM 1056 HG21 ILE A 68 4.216 6.974 -4.680 1.00 0.00 H +ATOM 1057 HG22 ILE A 68 3.305 7.532 -3.511 1.00 0.00 H +ATOM 1058 HG23 ILE A 68 4.213 6.258 -3.268 1.00 0.00 H +ATOM 1059 HD11 ILE A 68 3.983 4.039 -6.878 1.00 0.00 H +ATOM 1060 HD12 ILE A 68 2.930 5.209 -7.054 1.00 0.00 H +ATOM 1061 HD13 ILE A 68 4.357 5.513 -6.437 1.00 0.00 H +ATOM 1062 N ARG A 69 0.555 7.527 -2.616 1.00 0.00 N +ATOM 1063 CA ARG A 69 0.192 8.667 -1.791 1.00 0.00 C +ATOM 1064 C ARG A 69 -0.380 8.211 -0.444 1.00 0.00 C +ATOM 1065 O ARG A 69 0.165 8.568 0.600 1.00 0.00 O +ATOM 1066 CB ARG A 69 -0.770 9.572 -2.571 1.00 0.00 C +ATOM 1067 CG ARG A 69 -0.976 10.948 -1.924 1.00 0.00 C +ATOM 1068 CD ARG A 69 -2.060 11.724 -2.686 1.00 0.00 C +ATOM 1069 NE ARG A 69 -1.764 11.799 -4.125 1.00 0.00 N +ATOM 1070 CZ ARG A 69 -0.919 12.660 -4.708 1.00 0.00 C +ATOM 1071 NH1 ARG A 69 -0.324 13.621 -3.993 1.00 0.00 N +ATOM 1072 NH2 ARG A 69 -0.660 12.546 -6.014 1.00 0.00 N +ATOM 1073 H ARG A 69 0.214 7.554 -3.405 1.00 0.00 H +ATOM 1074 HA ARG A 69 0.984 9.186 -1.583 1.00 0.00 H +ATOM 1075 HB2 ARG A 69 -0.430 9.694 -3.471 1.00 0.00 H +ATOM 1076 HB3 ARG A 69 -1.629 9.128 -2.650 1.00 0.00 H +ATOM 1077 HG2 ARG A 69 -1.235 10.842 -0.995 1.00 0.00 H +ATOM 1078 HG3 ARG A 69 -0.144 11.446 -1.932 1.00 0.00 H +ATOM 1079 HD2 ARG A 69 -2.919 11.294 -2.554 1.00 0.00 H +ATOM 1080 HD3 ARG A 69 -2.132 12.621 -2.323 1.00 0.00 H +ATOM 1081 HE ARG A 69 -2.170 11.240 -4.638 1.00 0.00 H +ATOM 1082 HH11 ARG A 69 -0.482 13.691 -3.151 1.00 0.00 H +ATOM 1083 HH12 ARG A 69 0.217 14.169 -4.376 1.00 0.00 H +ATOM 1084 HH21 ARG A 69 -1.035 11.923 -6.474 1.00 0.00 H +ATOM 1085 HH22 ARG A 69 -0.119 13.095 -6.395 1.00 0.00 H +ATOM 1086 N ILE A 70 -1.468 7.430 -0.439 1.00 0.00 N +ATOM 1087 CA ILE A 70 -2.094 7.050 0.824 1.00 0.00 C +ATOM 1088 C ILE A 70 -1.206 6.106 1.648 1.00 0.00 C +ATOM 1089 O ILE A 70 -1.211 6.161 2.882 1.00 0.00 O +ATOM 1090 CB ILE A 70 -3.536 6.546 0.634 1.00 0.00 C +ATOM 1091 CG1 ILE A 70 -4.214 6.423 2.005 1.00 0.00 C +ATOM 1092 CG2 ILE A 70 -3.631 5.193 -0.075 1.00 0.00 C +ATOM 1093 CD1 ILE A 70 -5.712 6.719 1.942 1.00 0.00 C +ATOM 1094 H ILE A 70 -1.849 7.117 -1.144 1.00 0.00 H +ATOM 1095 HA ILE A 70 -2.177 7.856 1.358 1.00 0.00 H +ATOM 1096 HB ILE A 70 -3.979 7.197 0.068 1.00 0.00 H +ATOM 1097 HG12 ILE A 70 -4.078 5.527 2.351 1.00 0.00 H +ATOM 1098 HG13 ILE A 70 -3.792 7.035 2.628 1.00 0.00 H +ATOM 1099 HG21 ILE A 70 -4.563 4.937 -0.161 1.00 0.00 H +ATOM 1100 HG22 ILE A 70 -3.232 5.261 -0.957 1.00 0.00 H +ATOM 1101 HG23 ILE A 70 -3.158 4.522 0.443 1.00 0.00 H +ATOM 1102 HD11 ILE A 70 -6.097 6.629 2.828 1.00 0.00 H +ATOM 1103 HD12 ILE A 70 -5.850 7.623 1.620 1.00 0.00 H +ATOM 1104 HD13 ILE A 70 -6.141 6.092 1.339 1.00 0.00 H +ATOM 1105 N MET A 71 -0.423 5.251 0.982 1.00 0.00 N +ATOM 1106 CA MET A 71 0.515 4.365 1.655 1.00 0.00 C +ATOM 1107 C MET A 71 1.565 5.168 2.428 1.00 0.00 C +ATOM 1108 O MET A 71 1.895 4.809 3.561 1.00 0.00 O +ATOM 1109 CB MET A 71 1.158 3.387 0.664 1.00 0.00 C +ATOM 1110 CG MET A 71 0.193 2.347 0.065 1.00 0.00 C +ATOM 1111 SD MET A 71 -0.082 0.824 1.008 1.00 0.00 S +ATOM 1112 CE MET A 71 -1.517 1.264 2.013 1.00 0.00 C +ATOM 1113 H MET A 71 -0.425 5.173 0.126 1.00 0.00 H +ATOM 1114 HA MET A 71 0.022 3.835 2.301 1.00 0.00 H +ATOM 1115 HB2 MET A 71 1.556 3.895 -0.060 1.00 0.00 H +ATOM 1116 HB3 MET A 71 1.880 2.919 1.113 1.00 0.00 H +ATOM 1117 HG2 MET A 71 -0.666 2.777 -0.067 1.00 0.00 H +ATOM 1118 HG3 MET A 71 0.525 2.100 -0.812 1.00 0.00 H +ATOM 1119 HE1 MET A 71 -1.764 0.511 2.573 1.00 0.00 H +ATOM 1120 HE2 MET A 71 -1.299 2.025 2.573 1.00 0.00 H +ATOM 1121 HE3 MET A 71 -2.260 1.493 1.433 1.00 0.00 H +ATOM 1122 N LYS A 72 2.070 6.256 1.837 1.00 0.00 N +ATOM 1123 CA LYS A 72 2.926 7.196 2.551 1.00 0.00 C +ATOM 1124 C LYS A 72 2.138 7.895 3.663 1.00 0.00 C +ATOM 1125 O LYS A 72 2.537 7.832 4.824 1.00 0.00 O +ATOM 1126 CB LYS A 72 3.551 8.207 1.584 1.00 0.00 C +ATOM 1127 CG LYS A 72 4.551 7.525 0.641 1.00 0.00 C +ATOM 1128 CD LYS A 72 5.302 8.535 -0.236 1.00 0.00 C +ATOM 1129 CE LYS A 72 4.342 9.385 -1.078 1.00 0.00 C +ATOM 1130 NZ LYS A 72 5.062 10.142 -2.117 1.00 0.00 N +ATOM 1131 H LYS A 72 1.924 6.465 1.016 1.00 0.00 H +ATOM 1132 HA LYS A 72 3.652 6.703 2.964 1.00 0.00 H +ATOM 1133 HB2 LYS A 72 2.853 8.636 1.065 1.00 0.00 H +ATOM 1134 HB3 LYS A 72 4.000 8.905 2.087 1.00 0.00 H +ATOM 1135 HG2 LYS A 72 5.190 7.015 1.163 1.00 0.00 H +ATOM 1136 HG3 LYS A 72 4.080 6.894 0.074 1.00 0.00 H +ATOM 1137 HD2 LYS A 72 5.839 9.115 0.326 1.00 0.00 H +ATOM 1138 HD3 LYS A 72 5.914 8.062 -0.822 1.00 0.00 H +ATOM 1139 HE2 LYS A 72 3.680 8.811 -1.494 1.00 0.00 H +ATOM 1140 HE3 LYS A 72 3.862 10.000 -0.502 1.00 0.00 H +ATOM 1141 HZ1 LYS A 72 4.521 10.286 -2.809 1.00 0.00 H +ATOM 1142 HZ2 LYS A 72 5.331 10.922 -1.784 1.00 0.00 H +ATOM 1143 HZ3 LYS A 72 5.770 9.676 -2.387 1.00 0.00 H +ATOM 1144 N LYS A 73 1.018 8.539 3.310 1.00 0.00 N +ATOM 1145 CA LYS A 73 0.144 9.276 4.225 1.00 0.00 C +ATOM 1146 C LYS A 73 -0.040 8.518 5.542 1.00 0.00 C +ATOM 1147 O LYS A 73 0.107 9.081 6.624 1.00 0.00 O +ATOM 1148 CB LYS A 73 -1.220 9.498 3.548 1.00 0.00 C +ATOM 1149 CG LYS A 73 -2.169 10.413 4.331 1.00 0.00 C +ATOM 1150 CD LYS A 73 -3.622 10.277 3.851 1.00 0.00 C +ATOM 1151 CE LYS A 73 -3.836 10.743 2.405 1.00 0.00 C +ATOM 1152 NZ LYS A 73 -5.263 10.691 2.038 1.00 0.00 N +ATOM 1153 H LYS A 73 0.738 8.557 2.497 1.00 0.00 H +ATOM 1154 HA LYS A 73 0.554 10.131 4.430 1.00 0.00 H +ATOM 1155 HB2 LYS A 73 -1.075 9.877 2.667 1.00 0.00 H +ATOM 1156 HB3 LYS A 73 -1.649 8.638 3.419 1.00 0.00 H +ATOM 1157 HG2 LYS A 73 -2.119 10.198 5.275 1.00 0.00 H +ATOM 1158 HG3 LYS A 73 -1.882 11.335 4.235 1.00 0.00 H +ATOM 1159 HD2 LYS A 73 -3.895 9.349 3.928 1.00 0.00 H +ATOM 1160 HD3 LYS A 73 -4.198 10.792 4.438 1.00 0.00 H +ATOM 1161 HE2 LYS A 73 -3.505 11.649 2.301 1.00 0.00 H +ATOM 1162 HE3 LYS A 73 -3.323 10.183 1.802 1.00 0.00 H +ATOM 1163 HZ1 LYS A 73 -5.411 11.229 1.344 1.00 0.00 H +ATOM 1164 HZ2 LYS A 73 -5.483 9.857 1.819 1.00 0.00 H +ATOM 1165 HZ3 LYS A 73 -5.757 10.956 2.729 1.00 0.00 H +ATOM 1166 N THR A 74 -0.389 7.236 5.435 1.00 0.00 N +ATOM 1167 CA THR A 74 -0.787 6.419 6.571 1.00 0.00 C +ATOM 1168 C THR A 74 0.414 5.740 7.248 1.00 0.00 C +ATOM 1169 O THR A 74 0.231 5.002 8.212 1.00 0.00 O +ATOM 1170 CB THR A 74 -1.799 5.383 6.066 1.00 0.00 C +ATOM 1171 OG1 THR A 74 -2.745 5.987 5.201 1.00 0.00 O +ATOM 1172 CG2 THR A 74 -2.568 4.692 7.196 1.00 0.00 C +ATOM 1173 H THR A 74 -0.400 6.813 4.686 1.00 0.00 H +ATOM 1174 HA THR A 74 -1.188 6.983 7.251 1.00 0.00 H +ATOM 1175 HB THR A 74 -1.275 4.715 5.597 1.00 0.00 H +ATOM 1176 HG1 THR A 74 -2.396 6.113 4.448 1.00 0.00 H +ATOM 1177 HG21 THR A 74 -3.190 4.051 6.819 1.00 0.00 H +ATOM 1178 HG22 THR A 74 -1.944 4.232 7.779 1.00 0.00 H +ATOM 1179 HG23 THR A 74 -3.058 5.355 7.707 1.00 0.00 H +ATOM 1180 N SER A 75 1.638 5.933 6.745 1.00 0.00 N +ATOM 1181 CA SER A 75 2.810 5.173 7.175 1.00 0.00 C +ATOM 1182 C SER A 75 2.614 3.667 6.969 1.00 0.00 C +ATOM 1183 O SER A 75 3.075 2.863 7.776 1.00 0.00 O +ATOM 1184 CB SER A 75 3.172 5.490 8.632 1.00 0.00 C +ATOM 1185 OG SER A 75 3.257 6.889 8.825 1.00 0.00 O +ATOM 1186 H SER A 75 1.810 6.517 6.137 1.00 0.00 H +ATOM 1187 HA SER A 75 3.554 5.448 6.616 1.00 0.00 H +ATOM 1188 HB2 SER A 75 2.503 5.115 9.227 1.00 0.00 H +ATOM 1189 HB3 SER A 75 4.018 5.074 8.859 1.00 0.00 H +ATOM 1190 HG SER A 75 3.454 7.050 9.626 1.00 0.00 H +ATOM 1191 N LEU A 76 1.943 3.283 5.881 1.00 0.00 N +ATOM 1192 CA LEU A 76 1.868 1.894 5.445 1.00 0.00 C +ATOM 1193 C LEU A 76 3.165 1.525 4.734 1.00 0.00 C +ATOM 1194 O LEU A 76 3.669 0.422 4.926 1.00 0.00 O +ATOM 1195 CB LEU A 76 0.598 1.659 4.610 1.00 0.00 C +ATOM 1196 CG LEU A 76 -0.567 1.166 5.500 1.00 0.00 C +ATOM 1197 CD1 LEU A 76 -1.912 1.855 5.240 1.00 0.00 C +ATOM 1198 CD2 LEU A 76 -0.756 -0.353 5.356 1.00 0.00 C +ATOM 1199 H LEU A 76 1.516 3.830 5.373 1.00 0.00 H +ATOM 1200 HA LEU A 76 1.786 1.297 6.205 1.00 0.00 H +ATOM 1201 HB2 LEU A 76 0.343 2.482 4.164 1.00 0.00 H +ATOM 1202 HB3 LEU A 76 0.779 1.005 3.917 1.00 0.00 H +ATOM 1203 HG LEU A 76 -0.301 1.403 6.402 1.00 0.00 H +ATOM 1204 HD11 LEU A 76 -2.584 1.489 5.837 1.00 0.00 H +ATOM 1205 HD12 LEU A 76 -1.824 2.808 5.399 1.00 0.00 H +ATOM 1206 HD13 LEU A 76 -2.181 1.704 4.320 1.00 0.00 H +ATOM 1207 HD21 LEU A 76 -1.490 -0.643 5.921 1.00 0.00 H +ATOM 1208 HD22 LEU A 76 -0.955 -0.568 4.431 1.00 0.00 H +ATOM 1209 HD23 LEU A 76 0.058 -0.807 5.625 1.00 0.00 H +ATOM 1210 N PHE A 77 3.734 2.463 3.971 1.00 0.00 N +ATOM 1211 CA PHE A 77 5.073 2.336 3.407 1.00 0.00 C +ATOM 1212 C PHE A 77 5.697 3.727 3.243 1.00 0.00 C +ATOM 1213 O PHE A 77 6.757 3.806 2.581 1.00 0.00 O +ATOM 1214 CB PHE A 77 5.001 1.597 2.067 1.00 0.00 C +ATOM 1215 CG PHE A 77 4.648 0.122 2.142 1.00 0.00 C +ATOM 1216 CD1 PHE A 77 5.522 -0.779 2.779 1.00 0.00 C +ATOM 1217 CD2 PHE A 77 3.462 -0.357 1.555 1.00 0.00 C +ATOM 1218 CE1 PHE A 77 5.189 -2.142 2.865 1.00 0.00 C +ATOM 1219 CE2 PHE A 77 3.161 -1.728 1.587 1.00 0.00 C +ATOM 1220 CZ PHE A 77 4.018 -2.620 2.253 1.00 0.00 C +ATOM 1221 OXT PHE A 77 5.106 4.686 3.785 1.00 0.00 O +ATOM 1222 H PHE A 77 3.343 3.201 3.766 1.00 0.00 H +ATOM 1223 HA PHE A 77 5.635 1.820 4.006 1.00 0.00 H +ATOM 1224 HB2 PHE A 77 4.345 2.041 1.507 1.00 0.00 H +ATOM 1225 HB3 PHE A 77 5.859 1.684 1.622 1.00 0.00 H +ATOM 1226 HD1 PHE A 77 6.321 -0.472 3.143 1.00 0.00 H +ATOM 1227 HD2 PHE A 77 2.876 0.237 1.144 1.00 0.00 H +ATOM 1228 HE1 PHE A 77 5.744 -2.728 3.327 1.00 0.00 H +ATOM 1229 HE2 PHE A 77 2.394 -2.046 1.167 1.00 0.00 H +ATOM 1230 HZ PHE A 77 3.810 -3.526 2.289 1.00 0.00 H +TER 1231 PHE A 77 +END