USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 283 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 436 THR OG1 : rot 180:sc= 0.0368 USER MOD Set 1.2: A 450 ASN : amide:sc= 1.03 K(o=1.1,f=-0.31) USER MOD Set 2.1: A 439 LYS NZ :NH3+ 177:sc= 0.859 (180deg=0) USER MOD Set 2.2: A 445 THR OG1 : rot -163:sc= 0.788 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 26:sc= 0.0748 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 444 LYS NZ :NH3+ -139:sc= 0.854 (180deg=0.64) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= -2.22! USER MOD Single : A 449 ASN : amide:sc= -3.23! C(o=-3.2!,f=-12!) USER MOD Single : A 452 THR OG1 : rot -121:sc= 0.739 USER MOD Single : A 455 SER OG : rot 180:sc= 0.00376 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 459 LYS NZ :NH3+ -112:sc= 1.09 (180deg=-0.273) USER MOD Single : A 461 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.6!) USER MOD Single : A 464 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.761) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -23.529 -1.223 9.616 1.00 15.00 N ATOM 2 CA GLY A 428 -23.233 -0.581 8.313 1.00 15.00 C ATOM 3 C GLY A 428 -21.915 0.162 8.338 1.00 15.00 C ATOM 4 O GLY A 428 -21.657 0.944 9.255 1.00 15.00 O ATOM 0 HA2 GLY A 428 -23.207 -1.340 7.531 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -24.036 0.111 8.058 1.00 15.00 H new ATOM 10 N ALA A 429 -21.078 -0.087 7.344 1.00 15.00 N ATOM 11 CA ALA A 429 -19.784 0.565 7.249 1.00 15.00 C ATOM 12 C ALA A 429 -19.525 1.018 5.820 1.00 15.00 C ATOM 13 O ALA A 429 -19.498 0.204 4.895 1.00 15.00 O ATOM 14 CB ALA A 429 -18.682 -0.370 7.719 1.00 15.00 C ATOM 0 H ALA A 429 -21.275 -0.741 6.587 1.00 15.00 H new ATOM 0 HA ALA A 429 -19.789 1.443 7.895 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -17.719 0.135 7.641 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -18.861 -0.651 8.757 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -18.674 -1.265 7.097 1.00 15.00 H new ATOM 20 N THR A 430 -19.350 2.315 5.644 1.00 15.00 N ATOM 21 CA THR A 430 -19.108 2.881 4.328 1.00 15.00 C ATOM 22 C THR A 430 -17.718 3.513 4.271 1.00 15.00 C ATOM 23 O THR A 430 -17.160 3.873 5.312 1.00 15.00 O ATOM 24 CB THR A 430 -20.189 3.931 3.973 1.00 15.00 C ATOM 25 OG1 THR A 430 -19.998 4.421 2.638 1.00 15.00 O ATOM 26 CG2 THR A 430 -20.170 5.096 4.953 1.00 15.00 C ATOM 0 H THR A 430 -19.371 3.000 6.400 1.00 15.00 H new ATOM 0 HA THR A 430 -19.159 2.076 3.595 1.00 15.00 H new ATOM 0 HB THR A 430 -21.159 3.438 4.039 1.00 15.00 H new ATOM 0 HG1 THR A 430 -20.691 5.082 2.430 1.00 15.00 H new ATOM 0 HG21 THR A 430 -20.940 5.816 4.677 1.00 15.00 H new ATOM 0 HG22 THR A 430 -20.362 4.727 5.960 1.00 15.00 H new ATOM 0 HG23 THR A 430 -19.194 5.580 4.924 1.00 15.00 H new ATOM 34 N ALA A 431 -17.174 3.628 3.057 1.00 15.00 N ATOM 35 CA ALA A 431 -15.841 4.194 2.828 1.00 15.00 C ATOM 36 C ALA A 431 -14.749 3.302 3.417 1.00 15.00 C ATOM 37 O ALA A 431 -14.520 3.289 4.627 1.00 15.00 O ATOM 38 CB ALA A 431 -15.741 5.612 3.382 1.00 15.00 C ATOM 0 H ALA A 431 -17.646 3.331 2.203 1.00 15.00 H new ATOM 0 HA ALA A 431 -15.687 4.242 1.750 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -14.741 6.005 3.197 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -16.477 6.248 2.890 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -15.933 5.598 4.455 1.00 15.00 H new ATOM 44 N VAL A 432 -14.076 2.556 2.553 1.00 15.00 N ATOM 45 CA VAL A 432 -13.040 1.636 2.978 1.00 15.00 C ATOM 46 C VAL A 432 -11.773 1.838 2.157 1.00 15.00 C ATOM 47 O VAL A 432 -11.827 2.102 0.954 1.00 15.00 O ATOM 48 CB VAL A 432 -13.497 0.161 2.866 1.00 15.00 C ATOM 49 CG1 VAL A 432 -14.613 -0.133 3.859 1.00 15.00 C ATOM 50 CG2 VAL A 432 -13.945 -0.170 1.449 1.00 15.00 C ATOM 0 H VAL A 432 -14.234 2.573 1.545 1.00 15.00 H new ATOM 0 HA VAL A 432 -12.833 1.851 4.026 1.00 15.00 H new ATOM 0 HB VAL A 432 -12.643 -0.472 3.107 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -14.920 -1.175 3.764 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -14.255 0.049 4.873 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -15.464 0.516 3.653 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -14.260 -1.212 1.401 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -14.779 0.474 1.171 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -13.117 -0.009 0.759 1.00 15.00 H new ATOM 60 N SER A 433 -10.642 1.741 2.828 1.00 15.00 N ATOM 61 CA SER A 433 -9.342 1.844 2.183 1.00 15.00 C ATOM 62 C SER A 433 -9.003 0.538 1.472 1.00 15.00 C ATOM 63 O SER A 433 -9.125 -0.543 2.055 1.00 15.00 O ATOM 64 CB SER A 433 -8.283 2.168 3.236 1.00 15.00 C ATOM 65 OG SER A 433 -8.394 1.290 4.345 1.00 15.00 O ATOM 0 H SER A 433 -10.595 1.589 3.835 1.00 15.00 H new ATOM 0 HA SER A 433 -9.366 2.641 1.440 1.00 15.00 H new ATOM 0 HB2 SER A 433 -7.289 2.084 2.797 1.00 15.00 H new ATOM 0 HB3 SER A 433 -8.398 3.199 3.569 1.00 15.00 H new ATOM 0 HG SER A 433 -8.800 0.446 4.055 1.00 15.00 H new ATOM 71 N GLU A 434 -8.558 0.640 0.229 1.00 15.00 N ATOM 72 CA GLU A 434 -8.271 -0.537 -0.574 1.00 15.00 C ATOM 73 C GLU A 434 -6.904 -1.107 -0.228 1.00 15.00 C ATOM 74 O GLU A 434 -6.663 -2.310 -0.383 1.00 15.00 O ATOM 75 CB GLU A 434 -8.340 -0.189 -2.064 1.00 15.00 C ATOM 76 CG GLU A 434 -7.978 -1.321 -2.991 1.00 15.00 C ATOM 77 CD GLU A 434 -8.107 -0.922 -4.446 1.00 15.00 C ATOM 78 OE1 GLU A 434 -7.141 -0.361 -4.999 1.00 15.00 O ATOM 79 OE2 GLU A 434 -9.178 -1.164 -5.040 1.00 15.00 O ATOM 0 H GLU A 434 -8.388 1.527 -0.245 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.022 -1.295 -0.353 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.350 0.146 -2.299 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -7.672 0.650 -2.259 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -6.955 -1.641 -2.791 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -8.624 -2.176 -2.790 1.00 15.00 H new ATOM 86 N TRP A 435 -6.008 -0.248 0.234 1.00 15.00 N ATOM 87 CA TRP A 435 -4.660 -0.679 0.544 1.00 15.00 C ATOM 88 C TRP A 435 -4.311 -0.449 1.995 1.00 15.00 C ATOM 89 O TRP A 435 -4.800 0.475 2.645 1.00 15.00 O ATOM 90 CB TRP A 435 -3.617 0.024 -0.311 1.00 15.00 C ATOM 91 CG TRP A 435 -3.805 -0.164 -1.787 1.00 15.00 C ATOM 92 CD1 TRP A 435 -4.827 0.319 -2.548 1.00 15.00 C ATOM 93 CD2 TRP A 435 -2.941 -0.867 -2.685 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.661 -0.047 -3.857 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.509 -0.773 -3.970 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.747 -1.570 -2.528 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -2.921 -1.353 -5.087 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -1.163 -2.145 -3.637 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.750 -2.035 -4.904 1.00 15.00 C ATOM 0 H TRP A 435 -6.190 0.742 0.400 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.644 -1.747 0.328 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.638 1.090 -0.086 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.629 -0.341 -0.032 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.651 0.907 -2.172 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.294 0.185 -4.623 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.288 -1.663 -1.555 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -3.372 -1.268 -6.064 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.237 -2.690 -3.527 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.268 -2.498 -5.753 1.00 15.00 H new ATOM 110 N THR A 436 -3.446 -1.305 2.469 1.00 15.00 N ATOM 111 CA THR A 436 -2.918 -1.235 3.804 1.00 15.00 C ATOM 112 C THR A 436 -1.395 -1.125 3.731 1.00 15.00 C ATOM 113 O THR A 436 -0.759 -1.863 2.981 1.00 15.00 O ATOM 114 CB THR A 436 -3.315 -2.505 4.541 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.743 -2.649 4.519 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.822 -2.496 5.977 1.00 15.00 C ATOM 0 H THR A 436 -3.081 -2.087 1.926 1.00 15.00 H new ATOM 0 HA THR A 436 -3.312 -0.366 4.331 1.00 15.00 H new ATOM 0 HB THR A 436 -2.849 -3.349 4.033 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.996 -3.469 4.993 1.00 15.00 H new ATOM 0 HG21 THR A 436 -3.125 -3.419 6.471 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.735 -2.418 5.988 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.252 -1.644 6.504 1.00 15.00 H new ATOM 124 N GLU A 437 -0.810 -0.205 4.483 1.00 15.00 N ATOM 125 CA GLU A 437 0.625 0.030 4.391 1.00 15.00 C ATOM 126 C GLU A 437 1.344 -0.375 5.677 1.00 15.00 C ATOM 127 O GLU A 437 0.898 -0.072 6.783 1.00 15.00 O ATOM 128 CB GLU A 437 0.905 1.503 4.039 1.00 15.00 C ATOM 129 CG GLU A 437 0.646 2.512 5.154 1.00 15.00 C ATOM 130 CD GLU A 437 -0.779 2.495 5.678 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.686 2.955 4.965 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.000 2.011 6.807 1.00 15.00 O ATOM 0 H GLU A 437 -1.299 0.385 5.156 1.00 15.00 H new ATOM 0 HA GLU A 437 1.018 -0.597 3.591 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.946 1.591 3.729 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.292 1.774 3.179 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.329 2.311 5.979 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.876 3.512 4.787 1.00 15.00 H new ATOM 139 N TYR A 438 2.463 -1.067 5.527 1.00 15.00 N ATOM 140 CA TYR A 438 3.283 -1.455 6.668 1.00 15.00 C ATOM 141 C TYR A 438 4.739 -1.139 6.399 1.00 15.00 C ATOM 142 O TYR A 438 5.245 -1.401 5.306 1.00 15.00 O ATOM 143 CB TYR A 438 3.140 -2.945 6.970 1.00 15.00 C ATOM 144 CG TYR A 438 1.778 -3.331 7.488 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.366 -2.929 8.750 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.904 -4.087 6.719 1.00 15.00 C ATOM 147 CE1 TYR A 438 0.120 -3.266 9.232 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.344 -4.432 7.196 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.732 -4.017 8.455 1.00 15.00 C ATOM 150 OH TYR A 438 -1.979 -4.342 8.937 1.00 15.00 O ATOM 0 H TYR A 438 2.826 -1.373 4.624 1.00 15.00 H new ATOM 0 HA TYR A 438 2.937 -0.888 7.532 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.348 -3.512 6.063 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.893 -3.232 7.704 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.033 -2.342 9.365 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.205 -4.410 5.733 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.187 -2.942 10.216 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -1.013 -5.023 6.589 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.460 -4.874 8.269 1.00 15.00 H new ATOM 160 N LYS A 439 5.408 -0.586 7.398 1.00 15.00 N ATOM 161 CA LYS A 439 6.825 -0.277 7.278 1.00 15.00 C ATOM 162 C LYS A 439 7.624 -1.485 7.742 1.00 15.00 C ATOM 163 O LYS A 439 7.553 -1.898 8.902 1.00 15.00 O ATOM 164 CB LYS A 439 7.202 0.985 8.080 1.00 15.00 C ATOM 165 CG LYS A 439 8.562 1.591 7.705 1.00 15.00 C ATOM 166 CD LYS A 439 8.508 2.444 6.425 1.00 15.00 C ATOM 167 CE LYS A 439 7.770 3.756 6.629 1.00 15.00 C ATOM 168 NZ LYS A 439 7.664 4.540 5.367 1.00 15.00 N ATOM 0 H LYS A 439 4.995 -0.342 8.298 1.00 15.00 H new ATOM 0 HA LYS A 439 7.059 -0.061 6.236 1.00 15.00 H new ATOM 0 HB2 LYS A 439 6.429 1.739 7.933 1.00 15.00 H new ATOM 0 HB3 LYS A 439 7.208 0.738 9.142 1.00 15.00 H new ATOM 0 HG2 LYS A 439 8.919 2.207 8.530 1.00 15.00 H new ATOM 0 HG3 LYS A 439 9.286 0.788 7.570 1.00 15.00 H new ATOM 0 HD2 LYS A 439 9.524 2.651 6.088 1.00 15.00 H new ATOM 0 HD3 LYS A 439 8.019 1.875 5.634 1.00 15.00 H new ATOM 0 HE2 LYS A 439 6.771 3.553 7.015 1.00 15.00 H new ATOM 0 HE3 LYS A 439 8.288 4.350 7.382 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 7.110 5.403 5.540 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 8.616 4.800 5.039 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 7.192 3.965 4.640 1.00 15.00 H new ATOM 182 N THR A 440 8.362 -2.045 6.812 1.00 15.00 N ATOM 183 CA THR A 440 9.126 -3.251 7.017 1.00 15.00 C ATOM 184 C THR A 440 10.518 -2.908 7.515 1.00 15.00 C ATOM 185 O THR A 440 10.999 -1.806 7.276 1.00 15.00 O ATOM 186 CB THR A 440 9.202 -4.082 5.722 1.00 15.00 C ATOM 187 OG1 THR A 440 9.397 -3.229 4.586 1.00 15.00 O ATOM 188 CG2 THR A 440 7.923 -4.874 5.525 1.00 15.00 C ATOM 0 H THR A 440 8.449 -1.664 5.870 1.00 15.00 H new ATOM 0 HA THR A 440 8.622 -3.854 7.772 1.00 15.00 H new ATOM 0 HB THR A 440 10.046 -4.765 5.813 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.340 -2.969 4.530 1.00 15.00 H new ATOM 0 HG21 THR A 440 7.993 -5.456 4.606 1.00 15.00 H new ATOM 0 HG22 THR A 440 7.778 -5.547 6.370 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.078 -4.189 5.457 1.00 15.00 H new ATOM 196 N ALA A 441 11.108 -3.814 8.292 1.00 15.00 N ATOM 197 CA ALA A 441 12.417 -3.605 8.926 1.00 15.00 C ATOM 198 C ALA A 441 13.499 -3.089 7.963 1.00 15.00 C ATOM 199 O ALA A 441 14.559 -2.648 8.406 1.00 15.00 O ATOM 200 CB ALA A 441 12.878 -4.894 9.582 1.00 15.00 C ATOM 0 H ALA A 441 10.692 -4.721 8.504 1.00 15.00 H new ATOM 0 HA ALA A 441 12.278 -2.823 9.672 1.00 15.00 H new ATOM 0 HB1 ALA A 441 13.849 -4.736 10.051 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.154 -5.196 10.339 1.00 15.00 H new ATOM 0 HB3 ALA A 441 12.962 -5.676 8.828 1.00 15.00 H new ATOM 206 N ASP A 442 13.238 -3.137 6.655 1.00 15.00 N ATOM 207 CA ASP A 442 14.141 -2.542 5.666 1.00 15.00 C ATOM 208 C ASP A 442 14.092 -1.016 5.765 1.00 15.00 C ATOM 209 O ASP A 442 14.861 -0.307 5.114 1.00 15.00 O ATOM 210 CB ASP A 442 13.756 -2.973 4.248 1.00 15.00 C ATOM 211 CG ASP A 442 12.667 -2.102 3.649 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.617 -1.931 4.298 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.873 -1.573 2.534 1.00 15.00 O ATOM 0 H ASP A 442 12.411 -3.581 6.256 1.00 15.00 H new ATOM 0 HA ASP A 442 15.152 -2.890 5.876 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.638 -2.936 3.609 1.00 15.00 H new ATOM 0 HB3 ASP A 442 13.418 -4.009 4.266 1.00 15.00 H new ATOM 218 N GLY A 443 13.173 -0.535 6.592 1.00 15.00 N ATOM 219 CA GLY A 443 13.026 0.876 6.847 1.00 15.00 C ATOM 220 C GLY A 443 12.065 1.576 5.914 1.00 15.00 C ATOM 221 O GLY A 443 12.065 2.811 5.852 1.00 15.00 O ATOM 0 H GLY A 443 12.511 -1.121 7.102 1.00 15.00 H new ATOM 0 HA2 GLY A 443 12.685 1.015 7.873 1.00 15.00 H new ATOM 0 HA3 GLY A 443 14.003 1.352 6.768 1.00 15.00 H new ATOM 225 N LYS A 444 11.220 0.833 5.193 1.00 15.00 N ATOM 226 CA LYS A 444 10.174 1.494 4.419 1.00 15.00 C ATOM 227 C LYS A 444 8.897 0.663 4.337 1.00 15.00 C ATOM 228 O LYS A 444 8.815 -0.452 4.824 1.00 15.00 O ATOM 229 CB LYS A 444 10.496 1.695 3.021 1.00 15.00 C ATOM 230 CG LYS A 444 11.961 1.861 2.670 1.00 15.00 C ATOM 231 CD LYS A 444 12.145 2.100 1.182 1.00 15.00 C ATOM 232 CE LYS A 444 13.532 1.695 0.730 1.00 15.00 C ATOM 233 NZ LYS A 444 13.719 0.220 0.782 1.00 15.00 N ATOM 0 H LYS A 444 11.238 -0.185 5.131 1.00 15.00 H new ATOM 0 HA LYS A 444 10.062 2.436 4.955 1.00 15.00 H new ATOM 0 HB2 LYS A 444 10.107 0.847 2.458 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.962 2.580 2.674 1.00 15.00 H new ATOM 0 HG2 LYS A 444 12.379 2.697 3.230 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.513 0.970 2.969 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.398 1.534 0.625 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.979 3.154 0.957 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.701 2.048 -0.288 1.00 15.00 H new ATOM 0 HE3 LYS A 444 14.277 2.179 1.362 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 14.667 0.003 1.152 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.000 -0.199 1.405 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 13.622 -0.176 -0.175 1.00 15.00 H new ATOM 247 N THR A 445 7.909 1.270 3.689 1.00 15.00 N ATOM 248 CA THR A 445 6.560 0.737 3.610 1.00 15.00 C ATOM 249 C THR A 445 6.264 0.075 2.279 1.00 15.00 C ATOM 250 O THR A 445 6.700 0.537 1.224 1.00 15.00 O ATOM 251 CB THR A 445 5.521 1.850 3.812 1.00 15.00 C ATOM 252 OG1 THR A 445 6.070 3.107 3.389 1.00 15.00 O ATOM 253 CG2 THR A 445 5.068 1.954 5.257 1.00 15.00 C ATOM 0 H THR A 445 8.027 2.157 3.199 1.00 15.00 H new ATOM 0 HA THR A 445 6.495 -0.011 4.400 1.00 15.00 H new ATOM 0 HB THR A 445 4.649 1.598 3.209 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.533 3.839 3.757 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.334 2.754 5.351 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.618 1.010 5.566 1.00 15.00 H new ATOM 0 HG23 THR A 445 5.926 2.172 5.893 1.00 15.00 H new ATOM 261 N TYR A 446 5.473 -0.975 2.345 1.00 15.00 N ATOM 262 CA TYR A 446 4.991 -1.658 1.161 1.00 15.00 C ATOM 263 C TYR A 446 3.475 -1.717 1.250 1.00 15.00 C ATOM 264 O TYR A 446 2.918 -1.775 2.351 1.00 15.00 O ATOM 265 CB TYR A 446 5.600 -3.064 1.040 1.00 15.00 C ATOM 266 CG TYR A 446 4.878 -4.141 1.822 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.128 -4.344 3.174 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.947 -4.962 1.197 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.470 -5.336 3.879 1.00 15.00 C ATOM 270 CE2 TYR A 446 3.283 -5.950 1.895 1.00 15.00 C ATOM 271 CZ TYR A 446 3.548 -6.136 3.232 1.00 15.00 C ATOM 272 OH TYR A 446 2.887 -7.126 3.924 1.00 15.00 O ATOM 0 H TYR A 446 5.145 -1.380 3.222 1.00 15.00 H new ATOM 0 HA TYR A 446 5.293 -1.116 0.265 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.616 -3.348 -0.012 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.637 -3.025 1.375 1.00 15.00 H new ATOM 0 HD1 TYR A 446 5.847 -3.718 3.682 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.739 -4.824 0.146 1.00 15.00 H new ATOM 0 HE1 TYR A 446 4.676 -5.484 4.929 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.558 -6.575 1.394 1.00 15.00 H new ATOM 0 HH TYR A 446 2.274 -7.594 3.320 1.00 15.00 H new ATOM 282 N TYR A 447 2.808 -1.700 0.115 1.00 15.00 N ATOM 283 CA TYR A 447 1.365 -1.542 0.102 1.00 15.00 C ATOM 284 C TYR A 447 0.656 -2.840 -0.269 1.00 15.00 C ATOM 285 O TYR A 447 0.952 -3.466 -1.290 1.00 15.00 O ATOM 286 CB TYR A 447 0.993 -0.410 -0.847 1.00 15.00 C ATOM 287 CG TYR A 447 1.680 0.890 -0.482 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.308 1.594 0.655 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.710 1.401 -1.262 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.939 2.772 1.007 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.345 2.579 -0.919 1.00 15.00 C ATOM 292 CZ TYR A 447 2.956 3.260 0.214 1.00 15.00 C ATOM 293 OH TYR A 447 3.590 4.432 0.551 1.00 15.00 O ATOM 0 H TYR A 447 3.236 -1.793 -0.806 1.00 15.00 H new ATOM 0 HA TYR A 447 1.031 -1.287 1.108 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.263 -0.688 -1.866 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.087 -0.265 -0.832 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.510 1.214 1.276 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.019 0.869 -2.150 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.638 3.306 1.896 1.00 15.00 H new ATOM 0 HE2 TYR A 447 4.143 2.965 -1.536 1.00 15.00 H new ATOM 0 HH TYR A 447 4.282 4.632 -0.113 1.00 15.00 H new ATOM 303 N TYR A 448 -0.283 -3.222 0.585 1.00 15.00 N ATOM 304 CA TYR A 448 -1.063 -4.439 0.425 1.00 15.00 C ATOM 305 C TYR A 448 -2.476 -4.107 -0.045 1.00 15.00 C ATOM 306 O TYR A 448 -3.222 -3.412 0.642 1.00 15.00 O ATOM 307 CB TYR A 448 -1.097 -5.184 1.764 1.00 15.00 C ATOM 308 CG TYR A 448 -2.104 -6.310 1.846 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.861 -7.540 1.250 1.00 15.00 C ATOM 310 CD2 TYR A 448 -3.292 -6.142 2.546 1.00 15.00 C ATOM 311 CE1 TYR A 448 -2.779 -8.569 1.347 1.00 15.00 C ATOM 312 CE2 TYR A 448 -4.213 -7.163 2.644 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.954 -8.374 2.046 1.00 15.00 C ATOM 314 OH TYR A 448 -4.867 -9.396 2.150 1.00 15.00 O ATOM 0 H TYR A 448 -0.527 -2.688 1.419 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.602 -5.075 -0.331 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -0.105 -5.589 1.962 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.312 -4.467 2.556 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -0.943 -7.695 0.703 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.498 -5.195 3.022 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -2.578 -9.521 0.878 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -5.134 -7.013 3.188 1.00 15.00 H new ATOM 0 HH TYR A 448 -5.638 -9.094 2.675 1.00 15.00 H new ATOM 324 N ASN A 449 -2.826 -4.591 -1.225 1.00 15.00 N ATOM 325 CA ASN A 449 -4.153 -4.365 -1.794 1.00 15.00 C ATOM 326 C ASN A 449 -5.105 -5.483 -1.401 1.00 15.00 C ATOM 327 O ASN A 449 -4.842 -6.657 -1.674 1.00 15.00 O ATOM 328 CB ASN A 449 -4.061 -4.270 -3.313 1.00 15.00 C ATOM 329 CG ASN A 449 -5.407 -4.292 -4.001 1.00 15.00 C ATOM 330 OD1 ASN A 449 -5.922 -5.356 -4.334 1.00 15.00 O ATOM 331 ND2 ASN A 449 -5.986 -3.127 -4.231 1.00 15.00 N ATOM 0 H ASN A 449 -2.207 -5.148 -1.815 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.541 -3.426 -1.399 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.540 -3.351 -3.581 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.458 -5.098 -3.685 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -6.891 -3.091 -4.700 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.528 -2.263 -3.940 1.00 15.00 H new ATOM 338 N ASN A 450 -6.224 -5.096 -0.804 1.00 15.00 N ATOM 339 CA ASN A 450 -7.176 -6.042 -0.223 1.00 15.00 C ATOM 340 C ASN A 450 -8.113 -6.662 -1.260 1.00 15.00 C ATOM 341 O ASN A 450 -9.037 -7.392 -0.898 1.00 15.00 O ATOM 342 CB ASN A 450 -8.018 -5.346 0.852 1.00 15.00 C ATOM 343 CG ASN A 450 -7.219 -4.942 2.077 1.00 15.00 C ATOM 344 OD1 ASN A 450 -7.093 -5.711 3.031 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.679 -3.731 2.065 1.00 15.00 N ATOM 0 H ASN A 450 -6.500 -4.119 -0.707 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.584 -6.848 0.210 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.482 -4.459 0.421 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.825 -6.011 1.157 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -6.136 -3.407 2.865 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.806 -3.124 1.255 1.00 15.00 H new ATOM 352 N ARG A 451 -7.898 -6.381 -2.540 1.00 15.00 N ATOM 353 CA ARG A 451 -8.721 -6.993 -3.580 1.00 15.00 C ATOM 354 C ARG A 451 -8.181 -8.370 -3.917 1.00 15.00 C ATOM 355 O ARG A 451 -8.866 -9.379 -3.769 1.00 15.00 O ATOM 356 CB ARG A 451 -8.734 -6.170 -4.872 1.00 15.00 C ATOM 357 CG ARG A 451 -9.137 -4.718 -4.719 1.00 15.00 C ATOM 358 CD ARG A 451 -8.980 -3.991 -6.047 1.00 15.00 C ATOM 359 NE ARG A 451 -7.663 -4.233 -6.643 1.00 15.00 N ATOM 360 CZ ARG A 451 -6.949 -3.316 -7.298 1.00 15.00 C ATOM 361 NH1 ARG A 451 -7.390 -2.068 -7.400 1.00 15.00 N ATOM 362 NH2 ARG A 451 -5.773 -3.643 -7.821 1.00 15.00 N ATOM 0 H ARG A 451 -7.176 -5.746 -2.880 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.736 -7.047 -3.186 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -7.739 -6.207 -5.316 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -9.416 -6.645 -5.578 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -10.171 -4.653 -4.379 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -8.521 -4.239 -3.958 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -9.758 -4.320 -6.736 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -9.120 -2.921 -5.895 1.00 15.00 H new ATOM 0 HE ARG A 451 -7.265 -5.167 -6.551 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -8.280 -1.805 -6.976 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -6.839 -1.372 -7.902 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -5.417 -4.594 -7.722 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -5.225 -2.943 -8.322 1.00 15.00 H new ATOM 376 N THR A 452 -6.938 -8.385 -4.373 1.00 15.00 N ATOM 377 CA THR A 452 -6.318 -9.591 -4.887 1.00 15.00 C ATOM 378 C THR A 452 -5.181 -10.042 -3.979 1.00 15.00 C ATOM 379 O THR A 452 -4.471 -11.004 -4.288 1.00 15.00 O ATOM 380 CB THR A 452 -5.765 -9.331 -6.302 1.00 15.00 C ATOM 381 OG1 THR A 452 -4.703 -8.374 -6.227 1.00 15.00 O ATOM 382 CG2 THR A 452 -6.852 -8.795 -7.221 1.00 15.00 C ATOM 0 H THR A 452 -6.334 -7.563 -4.396 1.00 15.00 H new ATOM 0 HA THR A 452 -7.073 -10.376 -4.923 1.00 15.00 H new ATOM 0 HB THR A 452 -5.398 -10.274 -6.707 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.926 -7.594 -6.778 1.00 15.00 H new ATOM 0 HG21 THR A 452 -6.436 -8.620 -8.213 1.00 15.00 H new ATOM 0 HG22 THR A 452 -7.661 -9.522 -7.290 1.00 15.00 H new ATOM 0 HG23 THR A 452 -7.239 -7.858 -6.819 1.00 15.00 H new ATOM 390 N GLU A 453 -5.033 -9.346 -2.851 1.00 15.00 N ATOM 391 CA GLU A 453 -3.926 -9.571 -1.925 1.00 15.00 C ATOM 392 C GLU A 453 -2.595 -9.239 -2.598 1.00 15.00 C ATOM 393 O GLU A 453 -1.567 -9.864 -2.317 1.00 15.00 O ATOM 394 CB GLU A 453 -3.922 -11.017 -1.413 1.00 15.00 C ATOM 395 CG GLU A 453 -4.947 -11.302 -0.322 1.00 15.00 C ATOM 396 CD GLU A 453 -6.385 -11.136 -0.768 1.00 15.00 C ATOM 397 OE1 GLU A 453 -6.892 -9.995 -0.745 1.00 15.00 O ATOM 398 OE2 GLU A 453 -7.027 -12.152 -1.106 1.00 15.00 O ATOM 0 H GLU A 453 -5.677 -8.612 -2.555 1.00 15.00 H new ATOM 0 HA GLU A 453 -4.060 -8.910 -1.068 1.00 15.00 H new ATOM 0 HB2 GLU A 453 -4.107 -11.687 -2.252 1.00 15.00 H new ATOM 0 HB3 GLU A 453 -2.928 -11.251 -1.031 1.00 15.00 H new ATOM 0 HG2 GLU A 453 -4.805 -12.321 0.039 1.00 15.00 H new ATOM 0 HG3 GLU A 453 -4.760 -10.637 0.521 1.00 15.00 H new ATOM 405 N GLU A 454 -2.604 -8.201 -3.428 1.00 15.00 N ATOM 406 CA GLU A 454 -1.417 -7.840 -4.192 1.00 15.00 C ATOM 407 C GLU A 454 -0.568 -6.853 -3.400 1.00 15.00 C ATOM 408 O GLU A 454 -1.029 -5.782 -3.007 1.00 15.00 O ATOM 409 CB GLU A 454 -1.788 -7.269 -5.575 1.00 15.00 C ATOM 410 CG GLU A 454 -2.700 -6.054 -5.531 1.00 15.00 C ATOM 411 CD GLU A 454 -3.129 -5.572 -6.903 1.00 15.00 C ATOM 412 OE1 GLU A 454 -2.358 -4.829 -7.546 1.00 15.00 O ATOM 413 OE2 GLU A 454 -4.246 -5.926 -7.345 1.00 15.00 O ATOM 0 H GLU A 454 -3.413 -7.600 -3.588 1.00 15.00 H new ATOM 0 HA GLU A 454 -0.833 -8.744 -4.364 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -0.872 -7.001 -6.101 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -2.274 -8.051 -6.159 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -3.587 -6.296 -4.946 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -2.188 -5.243 -5.013 1.00 15.00 H new ATOM 420 N SER A 455 0.667 -7.243 -3.139 1.00 15.00 N ATOM 421 CA SER A 455 1.584 -6.430 -2.367 1.00 15.00 C ATOM 422 C SER A 455 2.681 -5.862 -3.260 1.00 15.00 C ATOM 423 O SER A 455 3.437 -6.607 -3.888 1.00 15.00 O ATOM 424 CB SER A 455 2.182 -7.277 -1.245 1.00 15.00 C ATOM 425 OG SER A 455 2.468 -8.590 -1.704 1.00 15.00 O ATOM 0 H SER A 455 1.060 -8.129 -3.456 1.00 15.00 H new ATOM 0 HA SER A 455 1.043 -5.589 -1.932 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.095 -6.809 -0.876 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.486 -7.323 -0.407 1.00 15.00 H new ATOM 0 HG SER A 455 2.852 -9.116 -0.972 1.00 15.00 H new ATOM 431 N THR A 456 2.761 -4.545 -3.320 1.00 15.00 N ATOM 432 CA THR A 456 3.732 -3.883 -4.171 1.00 15.00 C ATOM 433 C THR A 456 4.294 -2.643 -3.486 1.00 15.00 C ATOM 434 O THR A 456 3.636 -2.028 -2.643 1.00 15.00 O ATOM 435 CB THR A 456 3.124 -3.503 -5.541 1.00 15.00 C ATOM 436 OG1 THR A 456 4.129 -2.941 -6.390 1.00 15.00 O ATOM 437 CG2 THR A 456 1.979 -2.516 -5.390 1.00 15.00 C ATOM 0 H THR A 456 2.164 -3.912 -2.788 1.00 15.00 H new ATOM 0 HA THR A 456 4.544 -4.589 -4.347 1.00 15.00 H new ATOM 0 HB THR A 456 2.732 -4.416 -5.990 1.00 15.00 H new ATOM 0 HG1 THR A 456 3.733 -2.706 -7.255 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.577 -2.272 -6.373 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.195 -2.960 -4.777 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.343 -1.607 -4.911 1.00 15.00 H new ATOM 445 N TRP A 457 5.536 -2.313 -3.813 1.00 15.00 N ATOM 446 CA TRP A 457 6.170 -1.110 -3.296 1.00 15.00 C ATOM 447 C TRP A 457 5.670 0.119 -4.050 1.00 15.00 C ATOM 448 O TRP A 457 6.022 1.254 -3.717 1.00 15.00 O ATOM 449 CB TRP A 457 7.692 -1.214 -3.399 1.00 15.00 C ATOM 450 CG TRP A 457 8.274 -2.278 -2.516 1.00 15.00 C ATOM 451 CD1 TRP A 457 8.492 -3.586 -2.834 1.00 15.00 C ATOM 452 CD2 TRP A 457 8.690 -2.122 -1.158 1.00 15.00 C ATOM 453 NE1 TRP A 457 9.033 -4.248 -1.759 1.00 15.00 N ATOM 454 CE2 TRP A 457 9.162 -3.369 -0.715 1.00 15.00 C ATOM 455 CE3 TRP A 457 8.711 -1.046 -0.277 1.00 15.00 C ATOM 456 CZ2 TRP A 457 9.650 -3.565 0.578 1.00 15.00 C ATOM 457 CZ3 TRP A 457 9.193 -1.241 1.000 1.00 15.00 C ATOM 458 CH2 TRP A 457 9.656 -2.486 1.419 1.00 15.00 C ATOM 0 H TRP A 457 6.126 -2.864 -4.436 1.00 15.00 H new ATOM 0 HA TRP A 457 5.904 -1.007 -2.244 1.00 15.00 H new ATOM 0 HB2 TRP A 457 7.966 -1.420 -4.434 1.00 15.00 H new ATOM 0 HB3 TRP A 457 8.134 -0.252 -3.137 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.272 -4.036 -3.791 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.296 -5.233 -1.740 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.356 -0.075 -0.588 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 10.009 -4.531 0.902 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.212 -0.411 1.690 1.00 15.00 H new ATOM 0 HH2 TRP A 457 10.027 -2.602 2.427 1.00 15.00 H new ATOM 469 N GLU A 458 4.860 -0.123 -5.075 1.00 15.00 N ATOM 470 CA GLU A 458 4.243 0.946 -5.841 1.00 15.00 C ATOM 471 C GLU A 458 3.168 1.632 -5.007 1.00 15.00 C ATOM 472 O GLU A 458 2.254 0.981 -4.499 1.00 15.00 O ATOM 473 CB GLU A 458 3.628 0.388 -7.130 1.00 15.00 C ATOM 474 CG GLU A 458 2.989 1.446 -8.021 1.00 15.00 C ATOM 475 CD GLU A 458 4.001 2.375 -8.660 1.00 15.00 C ATOM 476 OE1 GLU A 458 4.590 3.212 -7.946 1.00 15.00 O ATOM 477 OE2 GLU A 458 4.199 2.283 -9.889 1.00 15.00 O ATOM 0 H GLU A 458 4.616 -1.060 -5.394 1.00 15.00 H new ATOM 0 HA GLU A 458 5.009 1.676 -6.104 1.00 15.00 H new ATOM 0 HB2 GLU A 458 4.403 -0.129 -7.696 1.00 15.00 H new ATOM 0 HB3 GLU A 458 2.875 -0.355 -6.869 1.00 15.00 H new ATOM 0 HG2 GLU A 458 2.412 0.953 -8.804 1.00 15.00 H new ATOM 0 HG3 GLU A 458 2.287 2.034 -7.430 1.00 15.00 H new ATOM 484 N LYS A 459 3.298 2.943 -4.863 1.00 15.00 N ATOM 485 CA LYS A 459 2.338 3.739 -4.109 1.00 15.00 C ATOM 486 C LYS A 459 0.942 3.627 -4.735 1.00 15.00 C ATOM 487 O LYS A 459 0.783 3.815 -5.942 1.00 15.00 O ATOM 488 CB LYS A 459 2.802 5.199 -4.070 1.00 15.00 C ATOM 489 CG LYS A 459 2.075 6.052 -3.047 1.00 15.00 C ATOM 490 CD LYS A 459 2.636 7.460 -3.007 1.00 15.00 C ATOM 491 CE LYS A 459 1.902 8.317 -1.996 1.00 15.00 C ATOM 492 NZ LYS A 459 2.261 9.750 -2.122 1.00 15.00 N ATOM 0 H LYS A 459 4.066 3.483 -5.262 1.00 15.00 H new ATOM 0 HA LYS A 459 2.280 3.361 -3.088 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.870 5.224 -3.855 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.665 5.639 -5.058 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.013 6.088 -3.289 1.00 15.00 H new ATOM 0 HG3 LYS A 459 2.162 5.595 -2.061 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.696 7.424 -2.755 1.00 15.00 H new ATOM 0 HD3 LYS A 459 2.558 7.913 -3.995 1.00 15.00 H new ATOM 0 HE2 LYS A 459 0.827 8.199 -2.132 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.136 7.971 -0.989 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 2.797 10.049 -1.282 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 2.844 9.888 -2.972 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 1.394 10.319 -2.201 1.00 15.00 H new ATOM 506 N PRO A 460 -0.091 3.333 -3.921 1.00 15.00 N ATOM 507 CA PRO A 460 -1.441 3.044 -4.417 1.00 15.00 C ATOM 508 C PRO A 460 -2.135 4.262 -5.013 1.00 15.00 C ATOM 509 O PRO A 460 -1.879 5.399 -4.618 1.00 15.00 O ATOM 510 CB PRO A 460 -2.207 2.574 -3.175 1.00 15.00 C ATOM 511 CG PRO A 460 -1.185 2.384 -2.108 1.00 15.00 C ATOM 512 CD PRO A 460 -0.036 3.282 -2.458 1.00 15.00 C ATOM 0 HA PRO A 460 -1.404 2.310 -5.222 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -2.952 3.311 -2.875 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.740 1.644 -3.374 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.593 2.638 -1.130 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.864 1.344 -2.059 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -0.148 4.272 -2.015 1.00 15.00 H new ATOM 0 HD3 PRO A 460 0.913 2.880 -2.104 1.00 15.00 H new ATOM 520 N GLN A 461 -3.051 3.998 -5.933 1.00 15.00 N ATOM 521 CA GLN A 461 -3.799 5.045 -6.621 1.00 15.00 C ATOM 522 C GLN A 461 -4.687 5.813 -5.651 1.00 15.00 C ATOM 523 O GLN A 461 -4.956 6.998 -5.834 1.00 15.00 O ATOM 524 CB GLN A 461 -4.675 4.414 -7.695 1.00 15.00 C ATOM 525 CG GLN A 461 -5.180 5.389 -8.747 1.00 15.00 C ATOM 526 CD GLN A 461 -4.083 5.916 -9.656 1.00 15.00 C ATOM 527 OE1 GLN A 461 -2.934 6.072 -9.248 1.00 15.00 O ATOM 528 NE2 GLN A 461 -4.437 6.179 -10.904 1.00 15.00 N ATOM 0 H GLN A 461 -3.298 3.052 -6.225 1.00 15.00 H new ATOM 0 HA GLN A 461 -3.086 5.738 -7.066 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -4.110 3.625 -8.190 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.531 3.940 -7.216 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.939 4.896 -9.354 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.665 6.229 -8.250 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -5.402 6.035 -11.201 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -3.745 6.525 -11.568 1.00 15.00 H new ATOM 537 N GLU A 462 -5.172 5.113 -4.644 1.00 15.00 N ATOM 538 CA GLU A 462 -6.074 5.710 -3.666 1.00 15.00 C ATOM 539 C GLU A 462 -5.323 6.220 -2.433 1.00 15.00 C ATOM 540 O GLU A 462 -5.935 6.698 -1.475 1.00 15.00 O ATOM 541 CB GLU A 462 -7.182 4.709 -3.290 1.00 15.00 C ATOM 542 CG GLU A 462 -6.692 3.323 -2.886 1.00 15.00 C ATOM 543 CD GLU A 462 -6.258 3.240 -1.437 1.00 15.00 C ATOM 544 OE1 GLU A 462 -7.131 3.036 -0.560 1.00 15.00 O ATOM 545 OE2 GLU A 462 -5.051 3.376 -1.175 1.00 15.00 O ATOM 0 H GLU A 462 -4.959 4.129 -4.478 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.542 6.583 -4.121 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -7.763 5.126 -2.467 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.859 4.605 -4.138 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -7.487 2.598 -3.062 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.856 3.040 -3.525 1.00 15.00 H new ATOM 552 N LEU A 463 -3.997 6.165 -2.479 1.00 15.00 N ATOM 553 CA LEU A 463 -3.179 6.611 -1.357 1.00 15.00 C ATOM 554 C LEU A 463 -1.990 7.436 -1.856 1.00 15.00 C ATOM 555 O LEU A 463 -1.029 7.671 -1.123 1.00 15.00 O ATOM 556 CB LEU A 463 -2.685 5.398 -0.561 1.00 15.00 C ATOM 557 CG LEU A 463 -2.111 5.705 0.826 1.00 15.00 C ATOM 558 CD1 LEU A 463 -3.189 6.281 1.732 1.00 15.00 C ATOM 559 CD2 LEU A 463 -1.510 4.454 1.446 1.00 15.00 C ATOM 0 H LEU A 463 -3.467 5.817 -3.278 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.786 7.241 -0.707 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.514 4.700 -0.445 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.920 4.889 -1.147 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.320 6.446 0.713 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.764 6.493 2.713 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.576 7.202 1.297 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.000 5.560 1.836 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.108 4.693 2.430 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.281 3.690 1.545 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.709 4.080 0.808 1.00 15.00 H new ATOM 571 N LYS A 464 -2.076 7.897 -3.100 1.00 15.00 N ATOM 572 CA LYS A 464 -0.988 8.649 -3.718 1.00 15.00 C ATOM 573 C LYS A 464 -1.016 10.125 -3.304 1.00 15.00 C ATOM 574 O LYS A 464 -0.423 10.459 -2.259 1.00 15.00 O ATOM 575 CB LYS A 464 -1.041 8.520 -5.245 1.00 15.00 C ATOM 576 CG LYS A 464 -2.417 8.785 -5.837 1.00 15.00 C ATOM 577 CD LYS A 464 -2.340 9.096 -7.320 1.00 15.00 C ATOM 578 CE LYS A 464 -1.520 10.351 -7.579 1.00 15.00 C ATOM 579 NZ LYS A 464 -1.999 11.503 -6.767 1.00 15.00 N ATOM 580 OXT LYS A 464 -1.621 10.945 -4.029 1.00 15.00 O ATOM 0 H LYS A 464 -2.889 7.763 -3.701 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.050 8.222 -3.363 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -0.327 9.217 -5.684 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -0.722 7.517 -5.527 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.054 7.915 -5.680 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -2.883 9.620 -5.314 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -1.895 8.253 -7.848 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -3.346 9.227 -7.719 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -0.473 10.155 -7.349 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -1.571 10.606 -8.637 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -1.571 12.381 -7.124 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -3.035 11.570 -6.836 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -1.726 11.364 -5.773 1.00 15.00 H new TER 594 LYS A 464