USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 439 LYS NZ :NH3+ 175:sc= -0.0457 (180deg=-0.421) USER MOD Set 1.2: A 447 TYR OH : rot 180:sc= 0.218 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 86:sc= 0.866 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 166:sc= -0.658 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -3.38! C(o=-3.4!,f=-7.1!) USER MOD Single : A 450 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.53) USER MOD Single : A 452 THR OG1 : rot 176:sc= -2.95! USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 459 LYS NZ :NH3+ -166:sc= -0.0376 (180deg=-0.266) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 464 LYS NZ :NH3+ -167:sc= -0.0462 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 431 -1.872 13.280 -1.710 1.00 15.00 N ATOM 2 CA ALA A 431 -2.006 14.247 -0.599 1.00 15.00 C ATOM 3 C ALA A 431 -1.149 13.820 0.595 1.00 15.00 C ATOM 4 O ALA A 431 -0.114 14.428 0.866 1.00 15.00 O ATOM 5 CB ALA A 431 -3.469 14.408 -0.204 1.00 15.00 C ATOM 0 HA ALA A 431 -1.643 15.218 -0.937 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -3.548 15.123 0.615 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -4.039 14.771 -1.059 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -3.868 13.445 0.115 1.00 15.00 H new ATOM 11 N VAL A 432 -1.562 12.764 1.296 1.00 15.00 N ATOM 12 CA VAL A 432 -0.808 12.257 2.435 1.00 15.00 C ATOM 13 C VAL A 432 -0.881 10.734 2.484 1.00 15.00 C ATOM 14 O VAL A 432 -1.699 10.164 3.205 1.00 15.00 O ATOM 15 CB VAL A 432 -1.292 12.849 3.785 1.00 15.00 C ATOM 16 CG1 VAL A 432 -0.715 14.238 4.009 1.00 15.00 C ATOM 17 CG2 VAL A 432 -2.815 12.893 3.847 1.00 15.00 C ATOM 0 H VAL A 432 -2.416 12.245 1.092 1.00 15.00 H new ATOM 0 HA VAL A 432 0.225 12.574 2.293 1.00 15.00 H new ATOM 0 HB VAL A 432 -0.934 12.195 4.580 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -1.070 14.630 4.962 1.00 15.00 H new ATOM 0 HG12 VAL A 432 0.373 14.182 4.022 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -1.034 14.899 3.203 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -3.128 13.312 4.803 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -3.194 13.515 3.036 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -3.213 11.883 3.746 1.00 15.00 H new ATOM 27 N SER A 433 -0.029 10.093 1.689 1.00 15.00 N ATOM 28 CA SER A 433 -0.011 8.637 1.558 1.00 15.00 C ATOM 29 C SER A 433 -1.334 8.123 0.982 1.00 15.00 C ATOM 30 O SER A 433 -2.314 7.936 1.704 1.00 15.00 O ATOM 31 CB SER A 433 0.292 7.967 2.906 1.00 15.00 C ATOM 32 OG SER A 433 1.500 8.465 3.462 1.00 15.00 O ATOM 0 H SER A 433 0.669 10.567 1.117 1.00 15.00 H new ATOM 0 HA SER A 433 0.786 8.374 0.863 1.00 15.00 H new ATOM 0 HB2 SER A 433 -0.531 8.145 3.598 1.00 15.00 H new ATOM 0 HB3 SER A 433 0.367 6.888 2.771 1.00 15.00 H new ATOM 0 HG SER A 433 1.671 8.025 4.321 1.00 15.00 H new ATOM 38 N GLU A 434 -1.372 7.936 -0.334 1.00 15.00 N ATOM 39 CA GLU A 434 -2.587 7.465 -0.999 1.00 15.00 C ATOM 40 C GLU A 434 -2.813 5.985 -0.707 1.00 15.00 C ATOM 41 O GLU A 434 -3.943 5.509 -0.654 1.00 15.00 O ATOM 42 CB GLU A 434 -2.498 7.669 -2.515 1.00 15.00 C ATOM 43 CG GLU A 434 -1.949 9.024 -2.932 1.00 15.00 C ATOM 44 CD GLU A 434 -2.781 10.192 -2.432 1.00 15.00 C ATOM 45 OE1 GLU A 434 -3.725 10.598 -3.139 1.00 15.00 O ATOM 46 OE2 GLU A 434 -2.474 10.727 -1.344 1.00 15.00 O1- ATOM 0 H GLU A 434 -0.583 8.101 -0.959 1.00 15.00 H new ATOM 0 HA GLU A 434 -3.423 8.047 -0.611 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -1.867 6.888 -2.939 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -3.491 7.544 -2.946 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -0.931 9.126 -2.557 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -1.894 9.066 -4.020 1.00 15.00 H new ATOM 53 N TRP A 435 -1.720 5.275 -0.498 1.00 15.00 N ATOM 54 CA TRP A 435 -1.745 3.826 -0.357 1.00 15.00 C ATOM 55 C TRP A 435 -1.935 3.474 1.114 1.00 15.00 C ATOM 56 O TRP A 435 -1.383 4.150 1.984 1.00 15.00 O ATOM 57 CB TRP A 435 -0.423 3.255 -0.912 1.00 15.00 C ATOM 58 CG TRP A 435 -0.007 3.938 -2.190 1.00 15.00 C ATOM 59 CD1 TRP A 435 0.784 5.046 -2.307 1.00 15.00 C ATOM 60 CD2 TRP A 435 -0.387 3.581 -3.525 1.00 15.00 C ATOM 61 NE1 TRP A 435 0.884 5.421 -3.620 1.00 15.00 N ATOM 62 CE2 TRP A 435 0.182 4.534 -4.391 1.00 15.00 C ATOM 63 CE3 TRP A 435 -1.158 2.555 -4.071 1.00 15.00 C ATOM 64 CZ2 TRP A 435 -0.005 4.495 -5.769 1.00 15.00 C ATOM 65 CZ3 TRP A 435 -1.344 2.515 -5.437 1.00 15.00 C ATOM 66 CH2 TRP A 435 -0.771 3.481 -6.274 1.00 15.00 C ATOM 0 H TRP A 435 -0.789 5.684 -0.421 1.00 15.00 H new ATOM 0 HA TRP A 435 -2.572 3.391 -0.918 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.364 3.371 -0.166 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.537 2.186 -1.092 1.00 15.00 H new ATOM 0 HD1 TRP A 435 1.262 5.553 -1.482 1.00 15.00 H new ATOM 0 HE1 TRP A 435 1.398 6.230 -3.967 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.602 1.804 -3.434 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.438 5.238 -6.416 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -1.941 1.726 -5.869 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.938 3.424 -7.340 1.00 15.00 H new ATOM 77 N THR A 436 -2.695 2.422 1.406 1.00 15.00 N ATOM 78 CA THR A 436 -2.971 2.070 2.778 1.00 15.00 C ATOM 79 C THR A 436 -1.904 1.128 3.282 1.00 15.00 C ATOM 80 O THR A 436 -1.626 0.099 2.637 1.00 15.00 O ATOM 81 CB THR A 436 -4.351 1.388 2.920 1.00 15.00 C ATOM 82 OG1 THR A 436 -5.379 2.262 2.445 1.00 15.00 O ATOM 83 CG2 THR A 436 -4.641 0.996 4.366 1.00 15.00 C ATOM 0 H THR A 436 -3.123 1.809 0.712 1.00 15.00 H new ATOM 0 HA THR A 436 -2.977 2.988 3.365 1.00 15.00 H new ATOM 0 HB THR A 436 -4.333 0.478 2.321 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.480 2.152 1.477 1.00 15.00 H new ATOM 0 HG21 THR A 436 -5.620 0.520 4.425 1.00 15.00 H new ATOM 0 HG22 THR A 436 -3.878 0.300 4.715 1.00 15.00 H new ATOM 0 HG23 THR A 436 -4.633 1.887 4.993 1.00 15.00 H new ATOM 91 N GLU A 437 -1.380 1.457 4.467 1.00 15.00 N ATOM 92 CA GLU A 437 -0.297 0.711 5.077 1.00 15.00 C ATOM 93 C GLU A 437 -0.890 -0.384 5.909 1.00 15.00 C ATOM 94 O GLU A 437 -1.475 -0.160 6.972 1.00 15.00 O ATOM 95 CB GLU A 437 0.587 1.607 5.952 1.00 15.00 C ATOM 96 CG GLU A 437 1.748 2.234 5.208 1.00 15.00 C ATOM 97 CD GLU A 437 2.744 1.187 4.761 1.00 15.00 C ATOM 98 OE1 GLU A 437 2.479 0.504 3.761 1.00 15.00 O1- ATOM 99 OE2 GLU A 437 3.782 1.003 5.437 1.00 15.00 O ATOM 0 H GLU A 437 -1.701 2.250 5.023 1.00 15.00 H new ATOM 0 HA GLU A 437 0.335 0.300 4.290 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -0.027 2.398 6.382 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.976 1.018 6.783 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.375 2.778 4.340 1.00 15.00 H new ATOM 0 HG3 GLU A 437 2.245 2.961 5.851 1.00 15.00 H new ATOM 106 N TYR A 438 -0.750 -1.571 5.379 1.00 15.00 N ATOM 107 CA TYR A 438 -1.540 -2.685 5.799 1.00 15.00 C ATOM 108 C TYR A 438 -0.613 -3.861 6.029 1.00 15.00 C ATOM 109 O TYR A 438 -0.285 -4.598 5.100 1.00 15.00 O ATOM 110 CB TYR A 438 -2.522 -2.927 4.661 1.00 15.00 C ATOM 111 CG TYR A 438 -3.861 -3.492 5.020 1.00 15.00 C ATOM 112 CD1 TYR A 438 -4.070 -4.346 6.094 1.00 15.00 C ATOM 113 CD2 TYR A 438 -4.938 -3.144 4.229 1.00 15.00 C ATOM 114 CE1 TYR A 438 -5.337 -4.831 6.364 1.00 15.00 C ATOM 115 CE2 TYR A 438 -6.195 -3.608 4.485 1.00 15.00 C ATOM 116 CZ TYR A 438 -6.401 -4.459 5.554 1.00 15.00 C ATOM 117 OH TYR A 438 -7.665 -4.931 5.822 1.00 15.00 O ATOM 0 H TYR A 438 -0.080 -1.787 4.641 1.00 15.00 H new ATOM 0 HA TYR A 438 -2.084 -2.522 6.730 1.00 15.00 H new ATOM 0 HB2 TYR A 438 -2.682 -1.980 4.146 1.00 15.00 H new ATOM 0 HB3 TYR A 438 -2.051 -3.602 3.947 1.00 15.00 H new ATOM 0 HD1 TYR A 438 -3.239 -4.633 6.722 1.00 15.00 H new ATOM 0 HD2 TYR A 438 -4.781 -2.488 3.386 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -5.497 -5.495 7.200 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -7.023 -3.313 3.857 1.00 15.00 H new ATOM 0 HH TYR A 438 -8.294 -4.574 5.161 1.00 15.00 H new ATOM 127 N LYS A 439 -0.122 -3.977 7.254 1.00 15.00 N ATOM 128 CA LYS A 439 0.933 -4.929 7.552 1.00 15.00 C ATOM 129 C LYS A 439 0.673 -5.645 8.881 1.00 15.00 C ATOM 130 O LYS A 439 0.304 -5.007 9.869 1.00 15.00 O ATOM 131 CB LYS A 439 2.290 -4.214 7.614 1.00 15.00 C ATOM 132 CG LYS A 439 2.772 -3.687 6.269 1.00 15.00 C ATOM 133 CD LYS A 439 4.173 -3.108 6.372 1.00 15.00 C ATOM 134 CE LYS A 439 4.711 -2.711 5.007 1.00 15.00 C ATOM 135 NZ LYS A 439 3.939 -1.599 4.404 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.436 -3.426 8.053 1.00 15.00 H new ATOM 0 HA LYS A 439 0.947 -5.672 6.754 1.00 15.00 H new ATOM 0 HB2 LYS A 439 2.220 -3.382 8.315 1.00 15.00 H new ATOM 0 HB3 LYS A 439 3.035 -4.903 8.011 1.00 15.00 H new ATOM 0 HG2 LYS A 439 2.763 -4.493 5.536 1.00 15.00 H new ATOM 0 HG3 LYS A 439 2.085 -2.921 5.909 1.00 15.00 H new ATOM 0 HD2 LYS A 439 4.161 -2.237 7.027 1.00 15.00 H new ATOM 0 HD3 LYS A 439 4.839 -3.841 6.828 1.00 15.00 H new ATOM 0 HE2 LYS A 439 5.756 -2.416 5.102 1.00 15.00 H new ATOM 0 HE3 LYS A 439 4.682 -3.574 4.342 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 4.391 -1.305 3.515 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 2.967 -1.916 4.211 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 3.916 -0.795 5.063 1.00 15.00 H new ATOM 149 N THR A 440 0.884 -6.960 8.919 1.00 15.00 N ATOM 150 CA THR A 440 0.755 -7.716 10.149 1.00 15.00 C ATOM 151 C THR A 440 1.981 -8.602 10.327 1.00 15.00 C ATOM 152 O THR A 440 2.594 -9.019 9.339 1.00 15.00 O ATOM 153 CB THR A 440 -0.530 -8.570 10.176 1.00 15.00 C ATOM 154 OG1 THR A 440 -0.553 -9.477 9.067 1.00 15.00 O ATOM 155 CG2 THR A 440 -1.774 -7.688 10.140 1.00 15.00 C ATOM 0 H THR A 440 1.145 -7.519 8.107 1.00 15.00 H new ATOM 0 HA THR A 440 0.684 -7.007 10.974 1.00 15.00 H new ATOM 0 HB THR A 440 -0.531 -9.139 11.106 1.00 15.00 H new ATOM 0 HG1 THR A 440 -1.244 -10.156 9.214 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.665 -8.315 10.160 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.776 -7.027 11.006 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.771 -7.091 9.228 1.00 15.00 H new ATOM 163 N ALA A 441 2.349 -8.876 11.575 1.00 15.00 N ATOM 164 CA ALA A 441 3.563 -9.636 11.883 1.00 15.00 C ATOM 165 C ALA A 441 3.508 -11.066 11.346 1.00 15.00 C ATOM 166 O ALA A 441 4.513 -11.776 11.348 1.00 15.00 O ATOM 167 CB ALA A 441 3.804 -9.649 13.383 1.00 15.00 C ATOM 0 H ALA A 441 1.822 -8.582 12.397 1.00 15.00 H new ATOM 0 HA ALA A 441 4.393 -9.136 11.383 1.00 15.00 H new ATOM 0 HB1 ALA A 441 4.709 -10.216 13.601 1.00 15.00 H new ATOM 0 HB2 ALA A 441 3.922 -8.626 13.741 1.00 15.00 H new ATOM 0 HB3 ALA A 441 2.955 -10.114 13.884 1.00 15.00 H new ATOM 173 N ASP A 442 2.339 -11.480 10.879 1.00 15.00 N ATOM 174 CA ASP A 442 2.166 -12.814 10.309 1.00 15.00 C ATOM 175 C ASP A 442 2.619 -12.832 8.847 1.00 15.00 C ATOM 176 O ASP A 442 2.511 -13.844 8.153 1.00 15.00 O ATOM 177 CB ASP A 442 0.701 -13.247 10.429 1.00 15.00 C ATOM 178 CG ASP A 442 0.469 -14.674 9.971 1.00 15.00 C ATOM 179 OD1 ASP A 442 0.989 -15.607 10.622 1.00 15.00 O ATOM 180 OD2 ASP A 442 -0.248 -14.872 8.967 1.00 15.00 O1- ATOM 0 H ASP A 442 1.492 -10.912 10.882 1.00 15.00 H new ATOM 0 HA ASP A 442 2.784 -13.520 10.864 1.00 15.00 H new ATOM 0 HB2 ASP A 442 0.381 -13.147 11.466 1.00 15.00 H new ATOM 0 HB3 ASP A 442 0.079 -12.575 9.838 1.00 15.00 H new ATOM 185 N GLY A 443 3.172 -11.715 8.398 1.00 15.00 N ATOM 186 CA GLY A 443 3.653 -11.614 7.037 1.00 15.00 C ATOM 187 C GLY A 443 2.589 -11.115 6.083 1.00 15.00 C ATOM 188 O GLY A 443 2.090 -11.860 5.243 1.00 15.00 O ATOM 0 H GLY A 443 3.296 -10.871 8.957 1.00 15.00 H new ATOM 0 HA2 GLY A 443 4.509 -10.940 7.006 1.00 15.00 H new ATOM 0 HA3 GLY A 443 4.005 -12.591 6.706 1.00 15.00 H new ATOM 192 N LYS A 444 2.237 -9.847 6.230 1.00 15.00 N ATOM 193 CA LYS A 444 1.293 -9.201 5.332 1.00 15.00 C ATOM 194 C LYS A 444 1.830 -7.832 4.936 1.00 15.00 C ATOM 195 O LYS A 444 1.899 -6.934 5.767 1.00 15.00 O ATOM 196 CB LYS A 444 -0.076 -9.038 6.007 1.00 15.00 C ATOM 197 CG LYS A 444 -1.195 -8.625 5.062 1.00 15.00 C ATOM 198 CD LYS A 444 -2.432 -8.161 5.820 1.00 15.00 C ATOM 199 CE LYS A 444 -2.960 -9.224 6.776 1.00 15.00 C ATOM 200 NZ LYS A 444 -3.549 -10.393 6.065 1.00 15.00 N1+ ATOM 0 H LYS A 444 2.594 -9.241 6.969 1.00 15.00 H new ATOM 0 HA LYS A 444 1.171 -9.824 4.446 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -0.348 -9.980 6.483 1.00 15.00 H new ATOM 0 HB3 LYS A 444 0.009 -8.293 6.799 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -0.845 -7.823 4.412 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -1.457 -9.465 4.419 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.193 -7.258 6.381 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.213 -7.896 5.108 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -2.148 -9.565 7.418 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -3.715 -8.781 7.425 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -3.893 -11.085 6.761 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -4.342 -10.075 5.472 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -2.824 -10.836 5.465 1.00 15.00 H new ATOM 214 N THR A 445 2.253 -7.692 3.690 1.00 15.00 N ATOM 215 CA THR A 445 2.708 -6.405 3.180 1.00 15.00 C ATOM 216 C THR A 445 1.774 -5.921 2.076 1.00 15.00 C ATOM 217 O THR A 445 1.954 -6.247 0.905 1.00 15.00 O ATOM 218 CB THR A 445 4.151 -6.480 2.640 1.00 15.00 C ATOM 219 OG1 THR A 445 5.020 -7.019 3.644 1.00 15.00 O ATOM 220 CG2 THR A 445 4.652 -5.105 2.215 1.00 15.00 C ATOM 0 H THR A 445 2.291 -8.453 3.012 1.00 15.00 H new ATOM 0 HA THR A 445 2.696 -5.700 4.011 1.00 15.00 H new ATOM 0 HB THR A 445 4.151 -7.131 1.766 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.934 -7.066 3.294 1.00 15.00 H new ATOM 0 HG21 THR A 445 5.672 -5.190 1.839 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.007 -4.709 1.430 1.00 15.00 H new ATOM 0 HG23 THR A 445 4.636 -4.431 3.072 1.00 15.00 H new ATOM 228 N LEU A 446 0.766 -5.163 2.464 1.00 15.00 N ATOM 229 CA LEU A 446 -0.272 -4.737 1.541 1.00 15.00 C ATOM 230 C LEU A 446 -0.350 -3.227 1.452 1.00 15.00 C ATOM 231 O LEU A 446 -0.436 -2.541 2.465 1.00 15.00 O ATOM 232 CB LEU A 446 -1.608 -5.330 2.003 1.00 15.00 C ATOM 233 CG LEU A 446 -2.895 -4.752 1.395 1.00 15.00 C ATOM 234 CD1 LEU A 446 -2.852 -4.662 -0.122 1.00 15.00 C ATOM 235 CD2 LEU A 446 -4.123 -5.522 1.863 1.00 15.00 C ATOM 0 H LEU A 446 0.643 -4.827 3.419 1.00 15.00 H new ATOM 0 HA LEU A 446 -0.034 -5.098 0.540 1.00 15.00 H new ATOM 0 HB2 LEU A 446 -1.590 -6.400 1.795 1.00 15.00 H new ATOM 0 HB3 LEU A 446 -1.668 -5.217 3.085 1.00 15.00 H new ATOM 0 HG LEU A 446 -2.969 -3.728 1.762 1.00 15.00 H new ATOM 0 HD11 LEU A 446 -3.790 -4.246 -0.489 1.00 15.00 H new ATOM 0 HD12 LEU A 446 -2.027 -4.018 -0.425 1.00 15.00 H new ATOM 0 HD13 LEU A 446 -2.708 -5.658 -0.542 1.00 15.00 H new ATOM 0 HD21 LEU A 446 -5.017 -5.088 1.415 1.00 15.00 H new ATOM 0 HD22 LEU A 446 -4.035 -6.565 1.560 1.00 15.00 H new ATOM 0 HD23 LEU A 446 -4.197 -5.464 2.949 1.00 15.00 H new ATOM 247 N TYR A 447 -0.285 -2.724 0.232 1.00 15.00 N ATOM 248 CA TYR A 447 -0.597 -1.336 -0.035 1.00 15.00 C ATOM 249 C TYR A 447 -1.903 -1.263 -0.814 1.00 15.00 C ATOM 250 O TYR A 447 -1.914 -1.365 -2.039 1.00 15.00 O ATOM 251 CB TYR A 447 0.532 -0.645 -0.815 1.00 15.00 C ATOM 252 CG TYR A 447 1.834 -0.521 -0.044 1.00 15.00 C ATOM 253 CD1 TYR A 447 2.564 -1.644 0.343 1.00 15.00 C ATOM 254 CD2 TYR A 447 2.328 0.727 0.305 1.00 15.00 C ATOM 255 CE1 TYR A 447 3.745 -1.518 1.053 1.00 15.00 C ATOM 256 CE2 TYR A 447 3.506 0.854 1.013 1.00 15.00 C ATOM 257 CZ TYR A 447 4.207 -0.267 1.383 1.00 15.00 C ATOM 258 OH TYR A 447 5.372 -0.130 2.103 1.00 15.00 O ATOM 0 H TYR A 447 -0.017 -3.262 -0.592 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.702 -0.811 0.915 1.00 15.00 H new ATOM 0 HB2 TYR A 447 0.718 -1.202 -1.733 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.200 0.351 -1.108 1.00 15.00 H new ATOM 0 HD1 TYR A 447 2.202 -2.628 0.084 1.00 15.00 H new ATOM 0 HD2 TYR A 447 1.782 1.614 0.018 1.00 15.00 H new ATOM 0 HE1 TYR A 447 4.300 -2.397 1.346 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.876 1.834 1.276 1.00 15.00 H new ATOM 0 HH TYR A 447 5.556 0.821 2.250 1.00 15.00 H new ATOM 268 N TYR A 448 -3.008 -1.180 -0.086 1.00 15.00 N ATOM 269 CA TYR A 448 -4.335 -1.063 -0.712 1.00 15.00 C ATOM 270 C TYR A 448 -4.716 0.405 -0.926 1.00 15.00 C ATOM 271 O TYR A 448 -4.787 1.177 0.022 1.00 15.00 O ATOM 272 CB TYR A 448 -5.385 -1.777 0.152 1.00 15.00 C ATOM 273 CG TYR A 448 -6.830 -1.571 -0.284 1.00 15.00 C ATOM 274 CD1 TYR A 448 -7.320 -2.109 -1.476 1.00 15.00 C ATOM 275 CD2 TYR A 448 -7.711 -0.852 0.517 1.00 15.00 C ATOM 276 CE1 TYR A 448 -8.647 -1.928 -1.850 1.00 15.00 C ATOM 277 CE2 TYR A 448 -9.029 -0.668 0.150 1.00 15.00 C ATOM 278 CZ TYR A 448 -9.491 -1.208 -1.030 1.00 15.00 C ATOM 279 OH TYR A 448 -10.808 -1.029 -1.393 1.00 15.00 O ATOM 0 H TYR A 448 -3.021 -1.191 0.934 1.00 15.00 H new ATOM 0 HA TYR A 448 -4.299 -1.541 -1.691 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -5.170 -2.846 0.149 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -5.280 -1.434 1.181 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -6.659 -2.674 -2.117 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -7.357 -0.429 1.445 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -9.014 -2.348 -2.775 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -9.695 -0.103 0.785 1.00 15.00 H new ATOM 0 HH TYR A 448 -11.267 -0.501 -0.707 1.00 15.00 H new ATOM 289 N ASN A 449 -4.962 0.782 -2.175 1.00 15.00 N ATOM 290 CA ASN A 449 -5.283 2.173 -2.506 1.00 15.00 C ATOM 291 C ASN A 449 -6.439 2.258 -3.501 1.00 15.00 C ATOM 292 O ASN A 449 -6.591 1.396 -4.366 1.00 15.00 O ATOM 293 CB ASN A 449 -4.044 2.877 -3.054 1.00 15.00 C ATOM 294 CG ASN A 449 -4.299 4.306 -3.502 1.00 15.00 C ATOM 295 OD1 ASN A 449 -5.166 4.998 -2.983 1.00 15.00 O ATOM 296 ND2 ASN A 449 -3.516 4.767 -4.457 1.00 15.00 N ATOM 0 H ASN A 449 -4.947 0.150 -2.975 1.00 15.00 H new ATOM 0 HA ASN A 449 -5.602 2.676 -1.593 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.270 2.879 -2.287 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.656 2.306 -3.897 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -3.623 5.727 -4.785 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -2.804 4.164 -4.868 1.00 15.00 H new ATOM 303 N ASN A 450 -7.198 3.347 -3.415 1.00 15.00 N ATOM 304 CA ASN A 450 -8.484 3.476 -4.086 1.00 15.00 C ATOM 305 C ASN A 450 -8.305 3.974 -5.507 1.00 15.00 C ATOM 306 O ASN A 450 -9.280 4.150 -6.236 1.00 15.00 O ATOM 307 CB ASN A 450 -9.400 4.424 -3.301 1.00 15.00 C ATOM 308 CG ASN A 450 -8.797 5.805 -3.109 1.00 15.00 C ATOM 309 OD1 ASN A 450 -8.032 6.034 -2.174 1.00 15.00 O ATOM 310 ND2 ASN A 450 -9.152 6.742 -3.977 1.00 15.00 N ATOM 0 H ASN A 450 -6.934 4.170 -2.873 1.00 15.00 H new ATOM 0 HA ASN A 450 -8.948 2.491 -4.127 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -10.351 4.518 -3.825 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -9.615 3.988 -2.325 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -8.788 7.690 -3.881 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -9.789 6.515 -4.741 1.00 15.00 H new ATOM 317 N ARG A 451 -7.048 4.219 -5.875 1.00 15.00 N ATOM 318 CA ARG A 451 -6.678 4.511 -7.275 1.00 15.00 C ATOM 319 C ARG A 451 -7.464 3.651 -8.264 1.00 15.00 C ATOM 320 O ARG A 451 -8.370 4.117 -8.954 1.00 15.00 O ATOM 321 CB ARG A 451 -5.201 4.272 -7.498 1.00 15.00 C ATOM 322 CG ARG A 451 -4.345 5.502 -7.247 1.00 15.00 C ATOM 323 CD ARG A 451 -2.973 5.364 -7.885 1.00 15.00 C ATOM 324 NE ARG A 451 -3.069 5.094 -9.317 1.00 15.00 N ATOM 325 CZ ARG A 451 -2.567 4.010 -9.904 1.00 15.00 C ATOM 326 NH1 ARG A 451 -1.899 3.116 -9.187 1.00 15.00 N1+ ATOM 327 NH2 ARG A 451 -2.734 3.821 -11.204 1.00 15.00 N ATOM 0 H ARG A 451 -6.261 4.223 -5.227 1.00 15.00 H new ATOM 0 HA ARG A 451 -6.920 5.559 -7.450 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -4.868 3.467 -6.843 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -5.046 3.934 -8.523 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -4.846 6.383 -7.647 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -4.235 5.657 -6.174 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -2.403 6.279 -7.724 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -2.425 4.557 -7.398 1.00 15.00 H new ATOM 0 HE ARG A 451 -3.550 5.777 -9.902 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -1.770 3.259 -8.185 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -1.515 2.285 -9.637 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -3.248 4.507 -11.757 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -2.349 2.990 -11.652 1.00 15.00 H new ATOM 341 N THR A 452 -7.085 2.392 -8.312 1.00 15.00 N ATOM 342 CA THR A 452 -7.741 1.387 -9.126 1.00 15.00 C ATOM 343 C THR A 452 -8.266 0.273 -8.225 1.00 15.00 C ATOM 344 O THR A 452 -8.858 -0.703 -8.692 1.00 15.00 O ATOM 345 CB THR A 452 -6.750 0.809 -10.153 1.00 15.00 C ATOM 346 OG1 THR A 452 -5.443 0.750 -9.565 1.00 15.00 O ATOM 347 CG2 THR A 452 -6.707 1.659 -11.414 1.00 15.00 C ATOM 0 H THR A 452 -6.297 2.029 -7.776 1.00 15.00 H new ATOM 0 HA THR A 452 -8.573 1.843 -9.662 1.00 15.00 H new ATOM 0 HB THR A 452 -7.081 -0.191 -10.431 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.822 0.321 -10.190 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.999 1.226 -12.121 1.00 15.00 H new ATOM 0 HG22 THR A 452 -7.698 1.689 -11.866 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.393 2.671 -11.160 1.00 15.00 H new ATOM 355 N LEU A 453 -8.031 0.464 -6.924 1.00 15.00 N ATOM 356 CA LEU A 453 -8.041 -0.606 -5.931 1.00 15.00 C ATOM 357 C LEU A 453 -6.826 -1.466 -6.175 1.00 15.00 C ATOM 358 O LEU A 453 -6.887 -2.695 -6.196 1.00 15.00 O ATOM 359 CB LEU A 453 -9.322 -1.447 -5.920 1.00 15.00 C ATOM 360 CG LEU A 453 -10.561 -0.759 -5.342 1.00 15.00 C ATOM 361 CD1 LEU A 453 -11.473 -1.794 -4.708 1.00 15.00 C ATOM 362 CD2 LEU A 453 -10.178 0.306 -4.323 1.00 15.00 C ATOM 0 H LEU A 453 -7.826 1.381 -6.528 1.00 15.00 H new ATOM 0 HA LEU A 453 -8.013 -0.149 -4.942 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -9.543 -1.753 -6.943 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -9.134 -2.356 -5.349 1.00 15.00 H new ATOM 0 HG LEU A 453 -11.090 -0.263 -6.156 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -12.354 -1.300 -4.298 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -11.781 -2.518 -5.462 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -10.940 -2.308 -3.908 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -11.080 0.776 -3.931 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -9.625 -0.155 -3.505 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -9.555 1.061 -4.802 1.00 15.00 H new ATOM 374 N GLU A 454 -5.708 -0.782 -6.309 1.00 15.00 N ATOM 375 CA GLU A 454 -4.463 -1.405 -6.673 1.00 15.00 C ATOM 376 C GLU A 454 -3.754 -1.837 -5.414 1.00 15.00 C ATOM 377 O GLU A 454 -3.426 -1.016 -4.555 1.00 15.00 O ATOM 378 CB GLU A 454 -3.613 -0.414 -7.468 1.00 15.00 C ATOM 379 CG GLU A 454 -2.494 -1.052 -8.271 1.00 15.00 C ATOM 380 CD GLU A 454 -2.123 -0.220 -9.481 1.00 15.00 C ATOM 381 OE1 GLU A 454 -2.788 -0.365 -10.529 1.00 15.00 O ATOM 382 OE2 GLU A 454 -1.184 0.592 -9.392 1.00 15.00 O1- ATOM 0 H GLU A 454 -5.643 0.226 -6.167 1.00 15.00 H new ATOM 0 HA GLU A 454 -4.640 -2.280 -7.298 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -4.262 0.139 -8.147 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -3.181 0.311 -6.778 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -1.618 -1.179 -7.635 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -2.801 -2.047 -8.594 1.00 15.00 H new ATOM 389 N SER A 455 -3.574 -3.130 -5.288 1.00 15.00 N ATOM 390 CA SER A 455 -2.991 -3.698 -4.101 1.00 15.00 C ATOM 391 C SER A 455 -1.541 -4.055 -4.363 1.00 15.00 C ATOM 392 O SER A 455 -1.239 -5.061 -5.005 1.00 15.00 O ATOM 393 CB SER A 455 -3.796 -4.921 -3.675 1.00 15.00 C ATOM 394 OG SER A 455 -5.169 -4.590 -3.531 1.00 15.00 O ATOM 0 H SER A 455 -3.827 -3.813 -6.002 1.00 15.00 H new ATOM 0 HA SER A 455 -3.017 -2.971 -3.289 1.00 15.00 H new ATOM 0 HB2 SER A 455 -3.683 -5.713 -4.415 1.00 15.00 H new ATOM 0 HB3 SER A 455 -3.409 -5.308 -2.732 1.00 15.00 H new ATOM 0 HG SER A 455 -5.671 -5.387 -3.259 1.00 15.00 H new ATOM 400 N THR A 456 -0.648 -3.197 -3.914 1.00 15.00 N ATOM 401 CA THR A 456 0.762 -3.392 -4.157 1.00 15.00 C ATOM 402 C THR A 456 1.393 -4.174 -3.009 1.00 15.00 C ATOM 403 O THR A 456 1.661 -3.627 -1.941 1.00 15.00 O ATOM 404 CB THR A 456 1.470 -2.038 -4.339 1.00 15.00 C ATOM 405 OG1 THR A 456 0.497 -1.023 -4.628 1.00 15.00 O ATOM 406 CG2 THR A 456 2.470 -2.103 -5.483 1.00 15.00 C ATOM 0 H THR A 456 -0.876 -2.359 -3.379 1.00 15.00 H new ATOM 0 HA THR A 456 0.880 -3.967 -5.075 1.00 15.00 H new ATOM 0 HB THR A 456 2.000 -1.800 -3.417 1.00 15.00 H new ATOM 0 HG1 THR A 456 0.948 -0.160 -4.742 1.00 15.00 H new ATOM 0 HG21 THR A 456 2.959 -1.135 -5.594 1.00 15.00 H new ATOM 0 HG22 THR A 456 3.219 -2.866 -5.269 1.00 15.00 H new ATOM 0 HG23 THR A 456 1.950 -2.355 -6.407 1.00 15.00 H new ATOM 414 N TRP A 457 1.586 -5.470 -3.224 1.00 15.00 N ATOM 415 CA TRP A 457 2.199 -6.332 -2.218 1.00 15.00 C ATOM 416 C TRP A 457 3.710 -6.318 -2.393 1.00 15.00 C ATOM 417 O TRP A 457 4.460 -6.985 -1.677 1.00 15.00 O ATOM 418 CB TRP A 457 1.578 -7.738 -2.293 1.00 15.00 C ATOM 419 CG TRP A 457 0.109 -7.650 -2.008 1.00 15.00 C ATOM 420 CD1 TRP A 457 -0.861 -7.236 -2.875 1.00 15.00 C ATOM 421 CD2 TRP A 457 -0.557 -7.920 -0.763 1.00 15.00 C ATOM 422 NE1 TRP A 457 -2.071 -7.181 -2.239 1.00 15.00 N ATOM 423 CE2 TRP A 457 -1.913 -7.600 -0.948 1.00 15.00 C ATOM 424 CE3 TRP A 457 -0.150 -8.389 0.490 1.00 15.00 C ATOM 425 CZ2 TRP A 457 -2.850 -7.711 0.073 1.00 15.00 C ATOM 426 CZ3 TRP A 457 -1.096 -8.513 1.493 1.00 15.00 C ATOM 427 CH2 TRP A 457 -2.425 -8.163 1.283 1.00 15.00 C ATOM 0 H TRP A 457 1.327 -5.948 -4.087 1.00 15.00 H new ATOM 0 HA TRP A 457 1.999 -5.962 -1.212 1.00 15.00 H new ATOM 0 HB2 TRP A 457 1.743 -8.168 -3.281 1.00 15.00 H new ATOM 0 HB3 TRP A 457 2.060 -8.399 -1.573 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -0.697 -6.988 -3.913 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.949 -6.877 -2.660 1.00 15.00 H new ATOM 0 HE3 TRP A 457 0.882 -8.649 0.672 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -3.884 -7.446 -0.090 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -0.795 -8.890 2.459 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.132 -8.252 2.095 1.00 15.00 H new ATOM 438 N GLU A 458 4.125 -5.518 -3.361 1.00 15.00 N ATOM 439 CA GLU A 458 5.506 -5.110 -3.522 1.00 15.00 C ATOM 440 C GLU A 458 5.578 -3.628 -3.180 1.00 15.00 C ATOM 441 O GLU A 458 4.754 -2.851 -3.649 1.00 15.00 O ATOM 442 CB GLU A 458 5.960 -5.349 -4.960 1.00 15.00 C ATOM 443 CG GLU A 458 5.746 -6.777 -5.435 1.00 15.00 C ATOM 444 CD GLU A 458 6.191 -6.983 -6.864 1.00 15.00 C ATOM 445 OE1 GLU A 458 5.389 -6.729 -7.783 1.00 15.00 O ATOM 446 OE2 GLU A 458 7.351 -7.399 -7.074 1.00 15.00 O1- ATOM 0 H GLU A 458 3.500 -5.129 -4.067 1.00 15.00 H new ATOM 0 HA GLU A 458 6.161 -5.686 -2.869 1.00 15.00 H new ATOM 0 HB2 GLU A 458 5.420 -4.670 -5.620 1.00 15.00 H new ATOM 0 HB3 GLU A 458 7.018 -5.101 -5.044 1.00 15.00 H new ATOM 0 HG2 GLU A 458 6.294 -7.459 -4.785 1.00 15.00 H new ATOM 0 HG3 GLU A 458 4.690 -7.032 -5.346 1.00 15.00 H new ATOM 453 N LYS A 459 6.543 -3.234 -2.370 1.00 15.00 N ATOM 454 CA LYS A 459 6.556 -1.886 -1.810 1.00 15.00 C ATOM 455 C LYS A 459 6.911 -0.832 -2.862 1.00 15.00 C ATOM 456 O LYS A 459 8.021 -0.819 -3.393 1.00 15.00 O ATOM 457 CB LYS A 459 7.524 -1.833 -0.633 1.00 15.00 C ATOM 458 CG LYS A 459 7.277 -2.946 0.373 1.00 15.00 C ATOM 459 CD LYS A 459 8.065 -2.745 1.653 1.00 15.00 C ATOM 460 CE LYS A 459 9.565 -2.766 1.399 1.00 15.00 C ATOM 461 NZ LYS A 459 10.006 -4.053 0.799 1.00 15.00 N1+ ATOM 0 H LYS A 459 7.326 -3.821 -2.083 1.00 15.00 H new ATOM 0 HA LYS A 459 5.551 -1.651 -1.460 1.00 15.00 H new ATOM 0 HB2 LYS A 459 8.547 -1.903 -1.004 1.00 15.00 H new ATOM 0 HB3 LYS A 459 7.431 -0.869 -0.133 1.00 15.00 H new ATOM 0 HG2 LYS A 459 6.213 -2.993 0.607 1.00 15.00 H new ATOM 0 HG3 LYS A 459 7.548 -3.903 -0.072 1.00 15.00 H new ATOM 0 HD2 LYS A 459 7.786 -1.794 2.107 1.00 15.00 H new ATOM 0 HD3 LYS A 459 7.806 -3.527 2.367 1.00 15.00 H new ATOM 0 HE2 LYS A 459 9.833 -1.945 0.734 1.00 15.00 H new ATOM 0 HE3 LYS A 459 10.095 -2.602 2.337 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 11.042 -4.127 0.859 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 9.572 -4.844 1.316 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 9.713 -4.089 -0.198 1.00 15.00 H new ATOM 475 N PRO A 460 5.953 0.062 -3.177 1.00 15.00 N ATOM 476 CA PRO A 460 6.120 1.084 -4.210 1.00 15.00 C ATOM 477 C PRO A 460 6.808 2.363 -3.715 1.00 15.00 C ATOM 478 O PRO A 460 7.388 3.101 -4.509 1.00 15.00 O ATOM 479 CB PRO A 460 4.678 1.388 -4.619 1.00 15.00 C ATOM 480 CG PRO A 460 3.867 1.144 -3.388 1.00 15.00 C ATOM 481 CD PRO A 460 4.609 0.119 -2.565 1.00 15.00 C ATOM 0 HA PRO A 460 6.764 0.731 -5.016 1.00 15.00 H new ATOM 0 HB2 PRO A 460 4.574 2.417 -4.963 1.00 15.00 H new ATOM 0 HB3 PRO A 460 4.356 0.744 -5.438 1.00 15.00 H new ATOM 0 HG2 PRO A 460 3.734 2.068 -2.825 1.00 15.00 H new ATOM 0 HG3 PRO A 460 2.872 0.783 -3.647 1.00 15.00 H new ATOM 0 HD2 PRO A 460 4.662 0.413 -1.517 1.00 15.00 H new ATOM 0 HD3 PRO A 460 4.115 -0.852 -2.599 1.00 15.00 H new ATOM 489 N GLN A 461 6.705 2.640 -2.411 1.00 15.00 N ATOM 490 CA GLN A 461 7.267 3.861 -1.813 1.00 15.00 C ATOM 491 C GLN A 461 6.598 5.129 -2.383 1.00 15.00 C ATOM 492 O GLN A 461 7.069 6.245 -2.172 1.00 15.00 O ATOM 493 CB GLN A 461 8.790 3.904 -2.029 1.00 15.00 C ATOM 494 CG GLN A 461 9.499 4.995 -1.242 1.00 15.00 C ATOM 495 CD GLN A 461 11.002 4.981 -1.425 1.00 15.00 C ATOM 496 OE1 GLN A 461 11.517 4.584 -2.473 1.00 15.00 O ATOM 497 NE2 GLN A 461 11.717 5.414 -0.399 1.00 15.00 N ATOM 0 H GLN A 461 6.234 2.031 -1.742 1.00 15.00 H new ATOM 0 HA GLN A 461 7.064 3.838 -0.742 1.00 15.00 H new ATOM 0 HB2 GLN A 461 9.213 2.938 -1.752 1.00 15.00 H new ATOM 0 HB3 GLN A 461 8.992 4.047 -3.091 1.00 15.00 H new ATOM 0 HG2 GLN A 461 9.111 5.966 -1.549 1.00 15.00 H new ATOM 0 HG3 GLN A 461 9.267 4.879 -0.183 1.00 15.00 H new ATOM 0 HE21 GLN A 461 11.250 5.734 0.450 1.00 15.00 H new ATOM 0 HE22 GLN A 461 12.735 5.428 -0.457 1.00 15.00 H new ATOM 506 N GLU A 462 5.453 4.957 -3.037 1.00 15.00 N ATOM 507 CA GLU A 462 4.751 6.068 -3.692 1.00 15.00 C ATOM 508 C GLU A 462 3.984 6.939 -2.694 1.00 15.00 C ATOM 509 O GLU A 462 3.108 7.712 -3.084 1.00 15.00 O ATOM 510 CB GLU A 462 3.776 5.527 -4.734 1.00 15.00 C ATOM 511 CG GLU A 462 4.445 4.787 -5.867 1.00 15.00 C ATOM 512 CD GLU A 462 5.397 5.670 -6.648 1.00 15.00 C ATOM 513 OE1 GLU A 462 4.957 6.723 -7.150 1.00 15.00 O ATOM 514 OE2 GLU A 462 6.584 5.314 -6.768 1.00 15.00 O1- ATOM 0 H GLU A 462 4.985 4.055 -3.130 1.00 15.00 H new ATOM 0 HA GLU A 462 5.510 6.689 -4.168 1.00 15.00 H new ATOM 0 HB2 GLU A 462 3.068 4.859 -4.244 1.00 15.00 H new ATOM 0 HB3 GLU A 462 3.200 6.356 -5.144 1.00 15.00 H new ATOM 0 HG2 GLU A 462 4.991 3.932 -5.468 1.00 15.00 H new ATOM 0 HG3 GLU A 462 3.684 4.393 -6.540 1.00 15.00 H new ATOM 521 N LEU A 463 4.325 6.828 -1.418 1.00 15.00 N ATOM 522 CA LEU A 463 3.661 7.606 -0.375 1.00 15.00 C ATOM 523 C LEU A 463 4.338 8.963 -0.215 1.00 15.00 C ATOM 524 O LEU A 463 3.900 9.805 0.570 1.00 15.00 O ATOM 525 CB LEU A 463 3.671 6.854 0.962 1.00 15.00 C ATOM 526 CG LEU A 463 2.786 5.601 1.027 1.00 15.00 C ATOM 527 CD1 LEU A 463 3.335 4.491 0.145 1.00 15.00 C ATOM 528 CD2 LEU A 463 2.652 5.117 2.463 1.00 15.00 C ATOM 0 H LEU A 463 5.058 6.206 -1.077 1.00 15.00 H new ATOM 0 HA LEU A 463 2.624 7.758 -0.676 1.00 15.00 H new ATOM 0 HB2 LEU A 463 4.697 6.564 1.187 1.00 15.00 H new ATOM 0 HB3 LEU A 463 3.355 7.541 1.747 1.00 15.00 H new ATOM 0 HG LEU A 463 1.798 5.871 0.653 1.00 15.00 H new ATOM 0 HD11 LEU A 463 2.686 3.618 0.213 1.00 15.00 H new ATOM 0 HD12 LEU A 463 3.375 4.834 -0.889 1.00 15.00 H new ATOM 0 HD13 LEU A 463 4.338 4.224 0.478 1.00 15.00 H new ATOM 0 HD21 LEU A 463 2.021 4.228 2.490 1.00 15.00 H new ATOM 0 HD22 LEU A 463 3.638 4.874 2.859 1.00 15.00 H new ATOM 0 HD23 LEU A 463 2.200 5.901 3.071 1.00 15.00 H new ATOM 540 N LYS A 464 5.408 9.161 -0.970 1.00 15.00 N ATOM 541 CA LYS A 464 6.160 10.399 -0.938 1.00 15.00 C ATOM 542 C LYS A 464 6.414 10.857 -2.370 1.00 15.00 C ATOM 543 O LYS A 464 5.738 11.795 -2.829 1.00 15.00 O ATOM 544 CB LYS A 464 7.486 10.188 -0.186 1.00 15.00 C ATOM 545 CG LYS A 464 8.153 11.468 0.315 1.00 15.00 C ATOM 546 CD LYS A 464 8.739 12.309 -0.814 1.00 15.00 C ATOM 547 CE LYS A 464 9.859 11.583 -1.547 1.00 15.00 C ATOM 548 NZ LYS A 464 10.979 11.214 -0.639 1.00 15.00 N1+ ATOM 549 OXT LYS A 464 7.273 10.245 -3.038 1.00 15.00 O ATOM 0 H LYS A 464 5.776 8.467 -1.620 1.00 15.00 H new ATOM 0 HA LYS A 464 5.594 11.168 -0.412 1.00 15.00 H new ATOM 0 HB2 LYS A 464 7.303 9.534 0.666 1.00 15.00 H new ATOM 0 HB3 LYS A 464 8.181 9.667 -0.844 1.00 15.00 H new ATOM 0 HG2 LYS A 464 7.422 12.063 0.863 1.00 15.00 H new ATOM 0 HG3 LYS A 464 8.945 11.209 1.018 1.00 15.00 H new ATOM 0 HD2 LYS A 464 7.950 12.566 -1.521 1.00 15.00 H new ATOM 0 HD3 LYS A 464 9.120 13.246 -0.407 1.00 15.00 H new ATOM 0 HE2 LYS A 464 9.461 10.682 -2.014 1.00 15.00 H new ATOM 0 HE3 LYS A 464 10.237 12.218 -2.348 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 11.803 10.926 -1.204 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 11.232 12.033 -0.050 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 10.685 10.425 -0.028 1.00 15.00 H new TER 563 LYS A 464