USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 332 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 Single : A 422 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 423 LYS NZ :NH3+ 135:sc= -1.16 (180deg=-3.38!) USER MOD Single : A 425 SER OG : rot 37:sc= 0.142 USER MOD Single : A 426 LYS NZ :NH3+ 167:sc= -0.0151 (180deg=-0.172) USER MOD Single : A 427 SER OG : rot -16:sc= 0.762 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot -160:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 447 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0055) USER MOD Single : A 449 LYS NZ :NH3+ -124:sc= 0.961 (180deg=-0.252) USER MOD Single : A 452 LYS NZ :NH3+ -166:sc= -0.0277 (180deg=-0.249) USER MOD Single : A 455 LYS NZ :NH3+ -142:sc= 0.419 (180deg=-0.311) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 162:sc= -0.0999 (180deg=-0.489) USER MOD Single : A 465 THR OG1 : rot 15:sc= 0.816 USER MOD Single : A 467 LYS NZ :NH3+ -124:sc= 1.27 (180deg=0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -20.080 -14.885 -5.596 1.00 0.00 N ATOM 2 CA GLY A 421 -20.823 -13.972 -6.495 1.00 0.00 C ATOM 3 C GLY A 421 -21.078 -12.626 -5.854 1.00 0.00 C ATOM 4 O GLY A 421 -20.271 -12.157 -5.050 1.00 0.00 O ATOM 0 HA2 GLY A 421 -20.258 -13.833 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -21.774 -14.429 -6.769 1.00 0.00 H new ATOM 10 N THR A 422 -22.200 -12.012 -6.193 1.00 0.00 N ATOM 11 CA THR A 422 -22.561 -10.715 -5.643 1.00 0.00 C ATOM 12 C THR A 422 -22.928 -10.816 -4.164 1.00 0.00 C ATOM 13 O THR A 422 -23.586 -11.767 -3.739 1.00 0.00 O ATOM 14 CB THR A 422 -23.734 -10.098 -6.422 1.00 0.00 C ATOM 15 OG1 THR A 422 -24.571 -11.139 -6.943 1.00 0.00 O ATOM 16 CG2 THR A 422 -23.229 -9.228 -7.563 1.00 0.00 C ATOM 0 H THR A 422 -22.880 -12.394 -6.850 1.00 0.00 H new ATOM 0 HA THR A 422 -21.687 -10.071 -5.740 1.00 0.00 H new ATOM 0 HB THR A 422 -24.309 -9.473 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 422 -25.318 -10.742 -7.437 1.00 0.00 H new ATOM 0 HG21 THR A 422 -24.077 -8.803 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 422 -22.613 -8.423 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 422 -22.634 -9.834 -8.247 1.00 0.00 H new ATOM 24 N LYS A 423 -22.479 -9.844 -3.387 1.00 0.00 N ATOM 25 CA LYS A 423 -22.754 -9.803 -1.959 1.00 0.00 C ATOM 26 C LYS A 423 -22.532 -8.389 -1.438 1.00 0.00 C ATOM 27 O LYS A 423 -21.553 -7.735 -1.805 1.00 0.00 O ATOM 28 CB LYS A 423 -21.859 -10.796 -1.211 1.00 0.00 C ATOM 29 CG LYS A 423 -22.153 -10.880 0.279 1.00 0.00 C ATOM 30 CD LYS A 423 -21.260 -11.890 0.990 1.00 0.00 C ATOM 31 CE LYS A 423 -21.716 -13.325 0.760 1.00 0.00 C ATOM 32 NZ LYS A 423 -21.388 -13.821 -0.602 1.00 0.00 N ATOM 0 H LYS A 423 -21.916 -9.064 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 423 -23.792 -10.088 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -21.980 -11.785 -1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -20.817 -10.510 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -22.016 -9.897 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -23.197 -11.155 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -20.234 -11.776 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -21.256 -11.679 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -21.248 -13.973 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -22.793 -13.389 0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -20.989 -14.779 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -22.252 -13.845 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -20.693 -13.187 -1.044 1.00 0.00 H new ATOM 46 N ALA A 424 -23.501 -7.881 -0.693 1.00 0.00 N ATOM 47 CA ALA A 424 -23.468 -6.499 -0.227 1.00 0.00 C ATOM 48 C ALA A 424 -22.363 -6.272 0.797 1.00 0.00 C ATOM 49 O ALA A 424 -21.598 -5.314 0.695 1.00 0.00 O ATOM 50 CB ALA A 424 -24.815 -6.111 0.359 1.00 0.00 C ATOM 0 H ALA A 424 -24.324 -8.405 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 424 -23.254 -5.866 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -24.778 -5.077 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -25.586 -6.212 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -25.048 -6.765 1.199 1.00 0.00 H new ATOM 56 N SER A 425 -22.296 -7.145 1.791 1.00 0.00 N ATOM 57 CA SER A 425 -21.310 -7.015 2.849 1.00 0.00 C ATOM 58 C SER A 425 -21.068 -8.381 3.494 1.00 0.00 C ATOM 59 O SER A 425 -20.932 -9.376 2.786 1.00 0.00 O ATOM 60 CB SER A 425 -21.790 -5.987 3.889 1.00 0.00 C ATOM 61 OG SER A 425 -20.738 -5.581 4.752 1.00 0.00 O ATOM 0 H SER A 425 -22.914 -7.951 1.886 1.00 0.00 H new ATOM 0 HA SER A 425 -20.368 -6.659 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 425 -22.198 -5.115 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 425 -22.599 -6.417 4.479 1.00 0.00 H new ATOM 0 HG SER A 425 -19.904 -5.515 4.242 1.00 0.00 H new ATOM 67 N LYS A 426 -20.991 -8.416 4.824 1.00 0.00 N ATOM 68 CA LYS A 426 -20.747 -9.654 5.571 1.00 0.00 C ATOM 69 C LYS A 426 -19.441 -10.319 5.130 1.00 0.00 C ATOM 70 O LYS A 426 -19.328 -11.546 5.105 1.00 0.00 O ATOM 71 CB LYS A 426 -21.921 -10.629 5.414 1.00 0.00 C ATOM 72 CG LYS A 426 -23.251 -10.086 5.919 1.00 0.00 C ATOM 73 CD LYS A 426 -23.193 -9.733 7.398 1.00 0.00 C ATOM 74 CE LYS A 426 -24.553 -9.291 7.924 1.00 0.00 C ATOM 75 NZ LYS A 426 -25.553 -10.391 7.890 1.00 0.00 N ATOM 0 H LYS A 426 -21.095 -7.591 5.414 1.00 0.00 H new ATOM 0 HA LYS A 426 -20.655 -9.390 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -22.024 -10.891 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -21.689 -11.549 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -23.524 -9.201 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -24.033 -10.827 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -22.846 -10.597 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -22.466 -8.936 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -24.445 -8.932 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -24.916 -8.453 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -26.386 -10.120 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -25.841 -10.568 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -25.133 -11.255 8.289 1.00 0.00 H new ATOM 89 N SER A 427 -18.441 -9.494 4.845 1.00 0.00 N ATOM 90 CA SER A 427 -17.106 -9.960 4.468 1.00 0.00 C ATOM 91 C SER A 427 -16.115 -8.815 4.642 1.00 0.00 C ATOM 92 O SER A 427 -15.059 -8.966 5.257 1.00 0.00 O ATOM 93 CB SER A 427 -17.076 -10.448 3.009 1.00 0.00 C ATOM 94 OG SER A 427 -18.046 -11.455 2.770 1.00 0.00 O ATOM 0 H SER A 427 -18.530 -8.478 4.868 1.00 0.00 H new ATOM 0 HA SER A 427 -16.836 -10.798 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 427 -17.254 -9.606 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 427 -16.084 -10.836 2.776 1.00 0.00 H new ATOM 0 HG SER A 427 -18.356 -11.820 3.625 1.00 0.00 H new ATOM 100 N GLY A 428 -16.504 -7.657 4.139 1.00 0.00 N ATOM 101 CA GLY A 428 -15.696 -6.466 4.258 1.00 0.00 C ATOM 102 C GLY A 428 -16.524 -5.236 3.971 1.00 0.00 C ATOM 103 O GLY A 428 -17.639 -5.104 4.476 1.00 0.00 O ATOM 0 H GLY A 428 -17.383 -7.520 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -15.276 -6.403 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -14.857 -6.517 3.564 1.00 0.00 H new ATOM 107 N VAL A 429 -16.042 -4.384 3.090 1.00 0.00 N ATOM 108 CA VAL A 429 -16.801 -3.220 2.680 1.00 0.00 C ATOM 109 C VAL A 429 -16.340 -2.742 1.304 1.00 0.00 C ATOM 110 O VAL A 429 -15.154 -2.475 1.091 1.00 0.00 O ATOM 111 CB VAL A 429 -16.698 -2.071 3.718 1.00 0.00 C ATOM 112 CG1 VAL A 429 -15.248 -1.726 4.031 1.00 0.00 C ATOM 113 CG2 VAL A 429 -17.450 -0.837 3.241 1.00 0.00 C ATOM 0 H VAL A 429 -15.129 -4.475 2.644 1.00 0.00 H new ATOM 0 HA VAL A 429 -17.849 -3.514 2.620 1.00 0.00 H new ATOM 0 HB VAL A 429 -17.162 -2.423 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -15.216 -0.917 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -14.745 -2.603 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -14.744 -1.410 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -17.362 -0.047 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -17.026 -0.495 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -18.502 -1.085 3.097 1.00 0.00 H new ATOM 123 N PRO A 430 -17.262 -2.710 0.331 1.00 0.00 N ATOM 124 CA PRO A 430 -16.952 -2.296 -1.037 1.00 0.00 C ATOM 125 C PRO A 430 -16.534 -0.835 -1.089 1.00 0.00 C ATOM 126 O PRO A 430 -17.374 0.064 -0.990 1.00 0.00 O ATOM 127 CB PRO A 430 -18.268 -2.508 -1.799 1.00 0.00 C ATOM 128 CG PRO A 430 -19.084 -3.405 -0.932 1.00 0.00 C ATOM 129 CD PRO A 430 -18.671 -3.103 0.479 1.00 0.00 C ATOM 0 HA PRO A 430 -16.121 -2.861 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -18.778 -1.561 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -18.089 -2.960 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -20.149 -3.222 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -18.905 -4.452 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -19.270 -2.303 0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -18.782 -3.972 1.127 1.00 0.00 H new ATOM 137 N VAL A 431 -15.230 -0.608 -1.155 1.00 0.00 N ATOM 138 CA VAL A 431 -14.683 0.739 -1.143 1.00 0.00 C ATOM 139 C VAL A 431 -15.157 1.529 -2.363 1.00 0.00 C ATOM 140 O VAL A 431 -14.846 1.187 -3.507 1.00 0.00 O ATOM 141 CB VAL A 431 -13.134 0.720 -1.067 1.00 0.00 C ATOM 142 CG1 VAL A 431 -12.548 -0.268 -2.061 1.00 0.00 C ATOM 143 CG2 VAL A 431 -12.553 2.112 -1.287 1.00 0.00 C ATOM 0 H VAL A 431 -14.528 -1.345 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 431 -15.053 1.238 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 431 -12.860 0.394 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -11.461 -0.259 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -12.919 -1.269 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -12.843 0.014 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -11.466 2.066 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -12.848 2.478 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -12.930 2.789 -0.520 1.00 0.00 H new ATOM 153 N THR A 432 -16.000 2.524 -2.098 1.00 0.00 N ATOM 154 CA THR A 432 -16.626 3.334 -3.139 1.00 0.00 C ATOM 155 C THR A 432 -17.481 2.462 -4.069 1.00 0.00 C ATOM 156 O THR A 432 -17.732 2.821 -5.222 1.00 0.00 O ATOM 157 CB THR A 432 -15.561 4.098 -3.954 1.00 0.00 C ATOM 158 OG1 THR A 432 -14.503 4.514 -3.077 1.00 0.00 O ATOM 159 CG2 THR A 432 -16.156 5.324 -4.635 1.00 0.00 C ATOM 0 H THR A 432 -16.269 2.792 -1.151 1.00 0.00 H new ATOM 0 HA THR A 432 -17.276 4.061 -2.652 1.00 0.00 H new ATOM 0 HB THR A 432 -15.178 3.430 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 432 -13.823 4.998 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 432 -15.379 5.839 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 432 -16.952 5.014 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 432 -16.563 5.998 -3.881 1.00 0.00 H new ATOM 167 N GLN A 433 -17.940 1.326 -3.528 1.00 0.00 N ATOM 168 CA GLN A 433 -18.760 0.344 -4.255 1.00 0.00 C ATOM 169 C GLN A 433 -17.987 -0.305 -5.403 1.00 0.00 C ATOM 170 O GLN A 433 -17.726 -1.507 -5.379 1.00 0.00 O ATOM 171 CB GLN A 433 -20.061 0.964 -4.778 1.00 0.00 C ATOM 172 CG GLN A 433 -21.204 0.955 -3.771 1.00 0.00 C ATOM 173 CD GLN A 433 -21.105 2.057 -2.734 1.00 0.00 C ATOM 174 OE1 GLN A 433 -20.149 2.126 -1.961 1.00 0.00 O ATOM 175 NE2 GLN A 433 -22.101 2.927 -2.706 1.00 0.00 N ATOM 0 H GLN A 433 -17.751 1.058 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 433 -19.018 -0.434 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -19.865 1.993 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -20.374 0.424 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -22.149 1.053 -4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -21.223 -0.010 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -22.876 2.836 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -22.094 3.688 -2.027 1.00 0.00 H new ATOM 184 N THR A 434 -17.585 0.494 -6.376 1.00 0.00 N ATOM 185 CA THR A 434 -16.798 0.003 -7.490 1.00 0.00 C ATOM 186 C THR A 434 -15.327 -0.106 -7.089 1.00 0.00 C ATOM 187 O THR A 434 -14.728 0.870 -6.631 1.00 0.00 O ATOM 188 CB THR A 434 -16.939 0.944 -8.703 1.00 0.00 C ATOM 189 OG1 THR A 434 -18.328 1.244 -8.925 1.00 0.00 O ATOM 190 CG2 THR A 434 -16.349 0.312 -9.955 1.00 0.00 C ATOM 0 H THR A 434 -17.793 1.492 -6.415 1.00 0.00 H new ATOM 0 HA THR A 434 -17.167 -0.985 -7.765 1.00 0.00 H new ATOM 0 HB THR A 434 -16.392 1.862 -8.489 1.00 0.00 H new ATOM 0 HG1 THR A 434 -18.414 1.844 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 434 -16.462 0.997 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 434 -15.291 0.106 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 434 -16.871 -0.619 -10.173 1.00 0.00 H new ATOM 198 N GLN A 435 -14.765 -1.303 -7.214 1.00 0.00 N ATOM 199 CA GLN A 435 -13.380 -1.537 -6.825 1.00 0.00 C ATOM 200 C GLN A 435 -12.420 -0.927 -7.841 1.00 0.00 C ATOM 201 O GLN A 435 -12.644 -1.011 -9.050 1.00 0.00 O ATOM 202 CB GLN A 435 -13.103 -3.037 -6.667 1.00 0.00 C ATOM 203 CG GLN A 435 -13.299 -3.841 -7.944 1.00 0.00 C ATOM 204 CD GLN A 435 -12.896 -5.295 -7.787 1.00 0.00 C ATOM 205 OE1 GLN A 435 -13.469 -6.032 -6.982 1.00 0.00 O ATOM 206 NE2 GLN A 435 -11.911 -5.724 -8.560 1.00 0.00 N ATOM 0 H GLN A 435 -15.246 -2.124 -7.581 1.00 0.00 H new ATOM 0 HA GLN A 435 -13.217 -1.053 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -12.079 -3.172 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -13.758 -3.437 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -14.345 -3.789 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -12.714 -3.390 -8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -11.461 -5.084 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -11.602 -6.694 -8.501 1.00 0.00 H new ATOM 215 N THR A 436 -11.361 -0.310 -7.341 1.00 0.00 N ATOM 216 CA THR A 436 -10.348 0.299 -8.184 1.00 0.00 C ATOM 217 C THR A 436 -9.103 0.606 -7.356 1.00 0.00 C ATOM 218 O THR A 436 -9.207 1.011 -6.195 1.00 0.00 O ATOM 219 CB THR A 436 -10.865 1.590 -8.872 1.00 0.00 C ATOM 220 OG1 THR A 436 -9.863 2.130 -9.746 1.00 0.00 O ATOM 221 CG2 THR A 436 -11.268 2.647 -7.851 1.00 0.00 C ATOM 0 H THR A 436 -11.181 -0.218 -6.341 1.00 0.00 H new ATOM 0 HA THR A 436 -10.099 -0.412 -8.972 1.00 0.00 H new ATOM 0 HB THR A 436 -11.747 1.317 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 436 -10.205 2.943 -10.173 1.00 0.00 H new ATOM 0 HG21 THR A 436 -11.625 3.537 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 436 -12.062 2.255 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 436 -10.406 2.907 -7.237 1.00 0.00 H new ATOM 229 N ALA A 437 -7.939 0.296 -7.923 1.00 0.00 N ATOM 230 CA ALA A 437 -6.657 0.452 -7.234 1.00 0.00 C ATOM 231 C ALA A 437 -6.593 -0.412 -5.973 1.00 0.00 C ATOM 232 O ALA A 437 -6.087 0.020 -4.934 1.00 0.00 O ATOM 233 CB ALA A 437 -6.396 1.918 -6.899 1.00 0.00 C ATOM 0 H ALA A 437 -7.856 -0.070 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 437 -5.874 0.110 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -5.438 2.009 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -6.374 2.503 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -7.190 2.290 -6.251 1.00 0.00 H new ATOM 239 N GLY A 438 -7.106 -1.632 -6.071 1.00 0.00 N ATOM 240 CA GLY A 438 -7.098 -2.537 -4.937 1.00 0.00 C ATOM 241 C GLY A 438 -7.547 -3.938 -5.305 1.00 0.00 C ATOM 242 O GLY A 438 -8.273 -4.588 -4.552 1.00 0.00 O ATOM 0 H GLY A 438 -7.529 -2.012 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -6.092 -2.580 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -7.751 -2.143 -4.158 1.00 0.00 H new ATOM 246 N ALA A 439 -7.078 -4.419 -6.447 1.00 0.00 N ATOM 247 CA ALA A 439 -7.393 -5.766 -6.896 1.00 0.00 C ATOM 248 C ALA A 439 -6.443 -6.775 -6.262 1.00 0.00 C ATOM 249 O ALA A 439 -6.849 -7.870 -5.875 1.00 0.00 O ATOM 250 CB ALA A 439 -7.328 -5.850 -8.413 1.00 0.00 C ATOM 0 H ALA A 439 -6.476 -3.894 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 439 -8.409 -6.006 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -7.566 -6.865 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -8.047 -5.155 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -6.324 -5.591 -8.749 1.00 0.00 H new ATOM 256 N ASP A 440 -5.176 -6.395 -6.157 1.00 0.00 N ATOM 257 CA ASP A 440 -4.167 -7.254 -5.553 1.00 0.00 C ATOM 258 C ASP A 440 -4.359 -7.309 -4.045 1.00 0.00 C ATOM 259 O ASP A 440 -4.674 -6.301 -3.416 1.00 0.00 O ATOM 260 CB ASP A 440 -2.757 -6.764 -5.893 1.00 0.00 C ATOM 261 CG ASP A 440 -2.458 -6.862 -7.376 1.00 0.00 C ATOM 262 OD1 ASP A 440 -2.552 -7.975 -7.935 1.00 0.00 O ATOM 263 OD2 ASP A 440 -2.141 -5.825 -7.996 1.00 0.00 O ATOM 0 H ASP A 440 -4.823 -5.495 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 440 -4.284 -8.258 -5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -2.646 -5.729 -5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -2.026 -7.352 -5.337 1.00 0.00 H new ATOM 268 N THR A 441 -4.257 -8.508 -3.488 1.00 0.00 N ATOM 269 CA THR A 441 -4.523 -8.734 -2.072 1.00 0.00 C ATOM 270 C THR A 441 -3.354 -8.274 -1.187 1.00 0.00 C ATOM 271 O THR A 441 -2.890 -9.006 -0.313 1.00 0.00 O ATOM 272 CB THR A 441 -4.822 -10.226 -1.814 1.00 0.00 C ATOM 273 OG1 THR A 441 -5.590 -10.758 -2.905 1.00 0.00 O ATOM 274 CG2 THR A 441 -5.603 -10.413 -0.520 1.00 0.00 C ATOM 0 H THR A 441 -3.989 -9.348 -4.001 1.00 0.00 H new ATOM 0 HA THR A 441 -5.396 -8.137 -1.807 1.00 0.00 H new ATOM 0 HB THR A 441 -3.872 -10.753 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 441 -5.778 -11.706 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 441 -5.800 -11.474 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 441 -5.021 -10.025 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 441 -6.548 -9.874 -0.585 1.00 0.00 H new ATOM 282 N THR A 442 -2.901 -7.049 -1.402 1.00 0.00 N ATOM 283 CA THR A 442 -1.833 -6.477 -0.596 1.00 0.00 C ATOM 284 C THR A 442 -2.411 -5.588 0.508 1.00 0.00 C ATOM 285 O THR A 442 -1.775 -5.368 1.542 1.00 0.00 O ATOM 286 CB THR A 442 -0.838 -5.674 -1.467 1.00 0.00 C ATOM 287 OG1 THR A 442 0.191 -5.094 -0.651 1.00 0.00 O ATOM 288 CG2 THR A 442 -1.549 -4.580 -2.248 1.00 0.00 C ATOM 0 H THR A 442 -3.257 -6.430 -2.130 1.00 0.00 H new ATOM 0 HA THR A 442 -1.287 -7.300 -0.135 1.00 0.00 H new ATOM 0 HB THR A 442 -0.386 -6.368 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 442 0.613 -4.354 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 442 -0.824 -4.033 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.299 -5.027 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.035 -3.894 -1.554 1.00 0.00 H new ATOM 296 N ALA A 443 -3.620 -5.071 0.266 1.00 0.00 N ATOM 297 CA ALA A 443 -4.319 -4.192 1.208 1.00 0.00 C ATOM 298 C ALA A 443 -3.528 -2.914 1.470 1.00 0.00 C ATOM 299 O ALA A 443 -3.708 -2.263 2.501 1.00 0.00 O ATOM 300 CB ALA A 443 -4.617 -4.921 2.512 1.00 0.00 C ATOM 0 H ALA A 443 -4.143 -5.251 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 443 -5.267 -3.907 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -5.136 -4.248 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -5.246 -5.788 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -3.683 -5.250 2.967 1.00 0.00 H new ATOM 306 N GLU A 444 -2.715 -2.530 0.485 1.00 0.00 N ATOM 307 CA GLU A 444 -1.927 -1.297 0.528 1.00 0.00 C ATOM 308 C GLU A 444 -1.160 -1.171 1.847 1.00 0.00 C ATOM 309 O GLU A 444 -1.089 -0.095 2.444 1.00 0.00 O ATOM 310 CB GLU A 444 -2.835 -0.084 0.315 1.00 0.00 C ATOM 311 CG GLU A 444 -2.150 1.085 -0.369 1.00 0.00 C ATOM 312 CD GLU A 444 -3.096 2.240 -0.619 1.00 0.00 C ATOM 313 OE1 GLU A 444 -3.689 2.748 0.354 1.00 0.00 O ATOM 314 OE2 GLU A 444 -3.244 2.661 -1.785 1.00 0.00 O ATOM 0 H GLU A 444 -2.584 -3.069 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.194 -1.335 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -3.696 -0.387 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -3.217 0.246 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.318 1.427 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -1.729 0.752 -1.317 1.00 0.00 H new ATOM 321 N LYS A 445 -0.608 -2.285 2.302 1.00 0.00 N ATOM 322 CA LYS A 445 0.137 -2.322 3.555 1.00 0.00 C ATOM 323 C LYS A 445 1.553 -1.804 3.356 1.00 0.00 C ATOM 324 O LYS A 445 2.200 -1.343 4.299 1.00 0.00 O ATOM 325 CB LYS A 445 0.174 -3.746 4.117 1.00 0.00 C ATOM 326 CG LYS A 445 -1.184 -4.257 4.574 1.00 0.00 C ATOM 327 CD LYS A 445 -1.091 -5.666 5.143 1.00 0.00 C ATOM 328 CE LYS A 445 -0.159 -5.725 6.344 1.00 0.00 C ATOM 329 NZ LYS A 445 -0.111 -7.080 6.948 1.00 0.00 N ATOM 0 H LYS A 445 -0.662 -3.182 1.820 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.372 -1.675 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 445 0.568 -4.418 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.866 -3.778 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -1.591 -3.585 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -1.878 -4.249 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -2.084 -6.007 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -0.734 -6.348 4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.845 -5.429 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -0.489 -5.006 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 0.536 -7.074 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -1.063 -7.353 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 0.229 -7.763 6.241 1.00 0.00 H new ATOM 343 N CYS A 446 2.037 -1.893 2.126 1.00 0.00 N ATOM 344 CA CYS A 446 3.377 -1.437 1.801 1.00 0.00 C ATOM 345 C CYS A 446 3.427 0.081 1.774 1.00 0.00 C ATOM 346 O CYS A 446 4.425 0.687 2.177 1.00 0.00 O ATOM 347 CB CYS A 446 3.829 -2.003 0.453 1.00 0.00 C ATOM 348 SG CYS A 446 3.874 -3.824 0.383 1.00 0.00 S ATOM 0 H CYS A 446 1.519 -2.278 1.336 1.00 0.00 H new ATOM 0 HA CYS A 446 4.057 -1.798 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.159 -1.637 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 446 4.823 -1.617 0.225 1.00 0.00 H new ATOM 353 N LYS A 447 2.338 0.694 1.315 1.00 0.00 N ATOM 354 CA LYS A 447 2.262 2.142 1.243 1.00 0.00 C ATOM 355 C LYS A 447 2.313 2.741 2.639 1.00 0.00 C ATOM 356 O LYS A 447 1.483 2.431 3.497 1.00 0.00 O ATOM 357 CB LYS A 447 0.988 2.576 0.520 1.00 0.00 C ATOM 358 CG LYS A 447 0.838 4.081 0.410 1.00 0.00 C ATOM 359 CD LYS A 447 -0.402 4.460 -0.376 1.00 0.00 C ATOM 360 CE LYS A 447 -0.684 5.950 -0.298 1.00 0.00 C ATOM 361 NZ LYS A 447 0.404 6.771 -0.890 1.00 0.00 N ATOM 0 H LYS A 447 1.502 0.208 0.990 1.00 0.00 H new ATOM 0 HA LYS A 447 3.118 2.508 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.983 2.144 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.124 2.170 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.785 4.516 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.720 4.501 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.275 4.168 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.259 3.907 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.619 6.166 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.823 6.235 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.153 7.778 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.289 6.601 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.532 6.509 -1.888 1.00 0.00 H new ATOM 375 N GLY A 448 3.346 3.526 2.883 1.00 0.00 N ATOM 376 CA GLY A 448 3.561 4.081 4.199 1.00 0.00 C ATOM 377 C GLY A 448 5.024 4.048 4.566 1.00 0.00 C ATOM 378 O GLY A 448 5.541 4.974 5.191 1.00 0.00 O ATOM 0 H GLY A 448 4.044 3.791 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.198 5.108 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.985 3.518 4.934 1.00 0.00 H new ATOM 382 N LYS A 449 5.699 2.992 4.134 1.00 0.00 N ATOM 383 CA LYS A 449 7.128 2.842 4.370 1.00 0.00 C ATOM 384 C LYS A 449 7.926 3.862 3.571 1.00 0.00 C ATOM 385 O LYS A 449 7.723 4.008 2.364 1.00 0.00 O ATOM 386 CB LYS A 449 7.604 1.438 3.978 1.00 0.00 C ATOM 387 CG LYS A 449 7.352 0.365 5.023 1.00 0.00 C ATOM 388 CD LYS A 449 5.947 -0.197 4.949 1.00 0.00 C ATOM 389 CE LYS A 449 5.814 -1.416 5.839 1.00 0.00 C ATOM 390 NZ LYS A 449 4.482 -2.063 5.709 1.00 0.00 N ATOM 0 H LYS A 449 5.277 2.222 3.615 1.00 0.00 H new ATOM 0 HA LYS A 449 7.294 3.003 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 449 7.108 1.147 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.673 1.477 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 449 8.071 -0.443 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 449 7.521 0.782 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 449 5.229 0.564 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 449 5.710 -0.464 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 449 6.592 -2.136 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 449 5.975 -1.125 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 4.033 -2.124 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 3.882 -1.499 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 4.597 -3.019 5.317 1.00 0.00 H new ATOM 404 N GLY A 450 8.933 4.441 4.210 1.00 0.00 N ATOM 405 CA GLY A 450 9.882 5.257 3.487 1.00 0.00 C ATOM 406 C GLY A 450 10.915 4.388 2.796 1.00 0.00 C ATOM 407 O GLY A 450 10.766 3.166 2.750 1.00 0.00 O ATOM 0 H GLY A 450 9.108 4.360 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.359 5.866 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.377 5.944 4.174 1.00 0.00 H new ATOM 411 N GLU A 451 11.960 5.000 2.267 1.00 0.00 N ATOM 412 CA GLU A 451 13.000 4.257 1.560 1.00 0.00 C ATOM 413 C GLU A 451 13.778 3.354 2.512 1.00 0.00 C ATOM 414 O GLU A 451 14.184 2.247 2.147 1.00 0.00 O ATOM 415 CB GLU A 451 13.948 5.222 0.846 1.00 0.00 C ATOM 416 CG GLU A 451 15.142 4.544 0.194 1.00 0.00 C ATOM 417 CD GLU A 451 16.040 5.516 -0.537 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.546 6.464 0.101 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.256 5.331 -1.754 1.00 0.00 O ATOM 0 H GLU A 451 12.115 6.007 2.311 1.00 0.00 H new ATOM 0 HA GLU A 451 12.516 3.623 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.390 5.766 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.308 5.959 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.721 4.025 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.787 3.787 -0.506 1.00 0.00 H new ATOM 426 N LYS A 452 13.966 3.819 3.739 1.00 0.00 N ATOM 427 CA LYS A 452 14.659 3.032 4.749 1.00 0.00 C ATOM 428 C LYS A 452 13.738 1.948 5.291 1.00 0.00 C ATOM 429 O LYS A 452 14.170 0.827 5.549 1.00 0.00 O ATOM 430 CB LYS A 452 15.162 3.916 5.898 1.00 0.00 C ATOM 431 CG LYS A 452 16.360 4.796 5.551 1.00 0.00 C ATOM 432 CD LYS A 452 16.000 5.893 4.562 1.00 0.00 C ATOM 433 CE LYS A 452 17.147 6.871 4.366 1.00 0.00 C ATOM 434 NZ LYS A 452 17.426 7.661 5.595 1.00 0.00 N ATOM 0 H LYS A 452 13.649 4.734 4.058 1.00 0.00 H new ATOM 0 HA LYS A 452 15.524 2.567 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 452 14.344 4.555 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.430 3.277 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 452 16.754 5.246 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 452 17.154 4.177 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.735 5.446 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 452 15.121 6.430 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 452 18.044 6.324 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 452 16.909 7.549 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 18.040 8.466 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 16.531 8.012 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 17.902 7.057 6.295 1.00 0.00 H new ATOM 448 N ASP A 453 12.468 2.294 5.466 1.00 0.00 N ATOM 449 CA ASP A 453 11.473 1.353 5.977 1.00 0.00 C ATOM 450 C ASP A 453 11.239 0.227 4.976 1.00 0.00 C ATOM 451 O ASP A 453 11.274 -0.951 5.327 1.00 0.00 O ATOM 452 CB ASP A 453 10.149 2.062 6.258 1.00 0.00 C ATOM 453 CG ASP A 453 10.287 3.211 7.232 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.602 2.962 8.412 1.00 0.00 O ATOM 455 OD2 ASP A 453 10.093 4.374 6.817 1.00 0.00 O ATOM 0 H ASP A 453 12.100 3.223 5.261 1.00 0.00 H new ATOM 0 HA ASP A 453 11.857 0.935 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.738 2.436 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.434 1.341 6.655 1.00 0.00 H new ATOM 460 N CYS A 454 11.018 0.607 3.722 1.00 0.00 N ATOM 461 CA CYS A 454 10.840 -0.351 2.640 1.00 0.00 C ATOM 462 C CYS A 454 12.116 -1.174 2.478 1.00 0.00 C ATOM 463 O CYS A 454 13.199 -0.616 2.304 1.00 0.00 O ATOM 464 CB CYS A 454 10.527 0.386 1.329 1.00 0.00 C ATOM 465 SG CYS A 454 9.654 -0.625 0.082 1.00 0.00 S ATOM 0 H CYS A 454 10.958 1.582 3.429 1.00 0.00 H new ATOM 0 HA CYS A 454 10.007 -1.012 2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.921 1.263 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 454 11.461 0.746 0.897 1.00 0.00 H new ATOM 470 N LYS A 455 11.996 -2.494 2.569 1.00 0.00 N ATOM 471 CA LYS A 455 13.168 -3.372 2.480 1.00 0.00 C ATOM 472 C LYS A 455 12.823 -4.618 1.716 1.00 0.00 C ATOM 473 O LYS A 455 13.378 -5.695 1.938 1.00 0.00 O ATOM 474 CB LYS A 455 13.674 -3.756 3.864 1.00 0.00 C ATOM 475 CG LYS A 455 14.169 -2.591 4.690 1.00 0.00 C ATOM 476 CD LYS A 455 14.230 -2.969 6.148 1.00 0.00 C ATOM 477 CE LYS A 455 14.675 -1.799 7.013 1.00 0.00 C ATOM 478 NZ LYS A 455 15.959 -1.213 6.537 1.00 0.00 N ATOM 0 H LYS A 455 11.110 -2.981 2.703 1.00 0.00 H new ATOM 0 HA LYS A 455 13.955 -2.826 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 455 12.871 -4.256 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 455 14.483 -4.479 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 455 15.157 -2.286 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 455 13.507 -1.735 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 455 13.249 -3.312 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 455 14.920 -3.802 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 455 13.902 -1.031 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 455 14.789 -2.133 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 16.539 -0.938 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 16.472 -1.917 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 15.763 -0.374 5.954 1.00 0.00 H new ATOM 492 N SER A 456 11.948 -4.413 0.775 1.00 0.00 N ATOM 493 CA SER A 456 11.482 -5.454 -0.128 1.00 0.00 C ATOM 494 C SER A 456 11.129 -6.768 0.594 1.00 0.00 C ATOM 495 O SER A 456 11.545 -7.843 0.159 1.00 0.00 O ATOM 496 CB SER A 456 12.544 -5.702 -1.195 1.00 0.00 C ATOM 497 OG SER A 456 12.848 -4.506 -1.893 1.00 0.00 O ATOM 0 H SER A 456 11.523 -3.502 0.601 1.00 0.00 H new ATOM 0 HA SER A 456 10.558 -5.102 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 456 13.448 -6.096 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 456 12.191 -6.458 -1.897 1.00 0.00 H new ATOM 0 HG SER A 456 13.532 -4.688 -2.571 1.00 0.00 H new ATOM 503 N PRO A 457 10.314 -6.730 1.675 1.00 0.00 N ATOM 504 CA PRO A 457 9.870 -7.949 2.352 1.00 0.00 C ATOM 505 C PRO A 457 8.814 -8.652 1.512 1.00 0.00 C ATOM 506 O PRO A 457 8.914 -9.839 1.206 1.00 0.00 O ATOM 507 CB PRO A 457 9.266 -7.443 3.674 1.00 0.00 C ATOM 508 CG PRO A 457 9.496 -5.964 3.697 1.00 0.00 C ATOM 509 CD PRO A 457 9.694 -5.542 2.272 1.00 0.00 C ATOM 0 HA PRO A 457 10.674 -8.667 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 457 8.202 -7.673 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 457 9.741 -7.924 4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 457 8.646 -5.446 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 457 10.370 -5.717 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 457 8.750 -5.290 1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 457 10.337 -4.665 2.193 1.00 0.00 H new ATOM 517 N ASP A 458 7.898 -7.837 1.022 1.00 0.00 N ATOM 518 CA ASP A 458 6.871 -8.249 0.084 1.00 0.00 C ATOM 519 C ASP A 458 6.356 -6.978 -0.576 1.00 0.00 C ATOM 520 O ASP A 458 5.152 -6.758 -0.717 1.00 0.00 O ATOM 521 CB ASP A 458 5.742 -8.985 0.813 1.00 0.00 C ATOM 522 CG ASP A 458 4.980 -9.947 -0.081 1.00 0.00 C ATOM 523 OD1 ASP A 458 4.333 -9.497 -1.048 1.00 0.00 O ATOM 524 OD2 ASP A 458 5.013 -11.166 0.190 1.00 0.00 O ATOM 0 H ASP A 458 7.847 -6.849 1.271 1.00 0.00 H new ATOM 0 HA ASP A 458 7.268 -8.939 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 458 6.161 -9.536 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 458 5.047 -8.254 1.225 1.00 0.00 H new ATOM 529 N CYS A 459 7.305 -6.069 -0.798 1.00 0.00 N ATOM 530 CA CYS A 459 7.019 -4.712 -1.251 1.00 0.00 C ATOM 531 C CYS A 459 8.158 -4.212 -2.131 1.00 0.00 C ATOM 532 O CYS A 459 9.318 -4.530 -1.881 1.00 0.00 O ATOM 533 CB CYS A 459 6.884 -3.768 -0.049 1.00 0.00 C ATOM 534 SG CYS A 459 5.670 -4.289 1.208 1.00 0.00 S ATOM 0 H CYS A 459 8.299 -6.257 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 459 6.086 -4.726 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.859 -3.670 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.606 -2.779 -0.413 1.00 0.00 H new ATOM 539 N LYS A 460 7.833 -3.416 -3.136 1.00 0.00 N ATOM 540 CA LYS A 460 8.839 -2.850 -4.021 1.00 0.00 C ATOM 541 C LYS A 460 8.895 -1.334 -3.870 1.00 0.00 C ATOM 542 O LYS A 460 7.861 -0.662 -3.868 1.00 0.00 O ATOM 543 CB LYS A 460 8.529 -3.198 -5.478 1.00 0.00 C ATOM 544 CG LYS A 460 8.394 -4.686 -5.748 1.00 0.00 C ATOM 545 CD LYS A 460 9.685 -5.434 -5.469 1.00 0.00 C ATOM 546 CE LYS A 460 9.564 -6.897 -5.861 1.00 0.00 C ATOM 547 NZ LYS A 460 9.298 -7.057 -7.316 1.00 0.00 N ATOM 0 H LYS A 460 6.875 -3.146 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 460 9.804 -3.275 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.603 -2.702 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 460 9.319 -2.795 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.596 -5.096 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 460 8.102 -4.841 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 460 10.503 -4.972 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.932 -5.357 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 460 10.483 -7.421 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 460 8.759 -7.361 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 9.520 -8.031 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.296 -6.859 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 9.892 -6.393 -7.853 1.00 0.00 H new ATOM 561 N TRP A 461 10.101 -0.793 -3.815 1.00 0.00 N ATOM 562 CA TRP A 461 10.282 0.648 -3.791 1.00 0.00 C ATOM 563 C TRP A 461 10.177 1.191 -5.213 1.00 0.00 C ATOM 564 O TRP A 461 10.918 0.758 -6.101 1.00 0.00 O ATOM 565 CB TRP A 461 11.646 1.007 -3.191 1.00 0.00 C ATOM 566 CG TRP A 461 11.802 2.468 -2.897 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.680 3.335 -3.479 1.00 0.00 C ATOM 568 CD2 TRP A 461 11.064 3.227 -1.936 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.520 4.591 -2.946 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.538 4.551 -1.996 1.00 0.00 C ATOM 571 CE3 TRP A 461 10.047 2.921 -1.034 1.00 0.00 C ATOM 572 CZ2 TRP A 461 11.024 5.558 -1.186 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.543 3.923 -0.234 1.00 0.00 C ATOM 574 CH2 TRP A 461 10.031 5.229 -0.314 1.00 0.00 C ATOM 0 H TRP A 461 10.968 -1.330 -3.786 1.00 0.00 H new ATOM 0 HA TRP A 461 9.506 1.096 -3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.790 0.442 -2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.431 0.697 -3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 461 13.395 3.073 -4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 461 13.049 5.420 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.660 1.915 -0.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.400 6.569 -1.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.755 3.694 0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.614 5.992 0.327 1.00 0.00 H new ATOM 585 N GLU A 462 9.202 2.055 -5.453 1.00 0.00 N ATOM 586 CA GLU A 462 8.957 2.560 -6.796 1.00 0.00 C ATOM 587 C GLU A 462 8.264 3.918 -6.744 1.00 0.00 C ATOM 588 O GLU A 462 7.299 4.102 -6.003 1.00 0.00 O ATOM 589 CB GLU A 462 8.102 1.554 -7.567 1.00 0.00 C ATOM 590 CG GLU A 462 7.722 2.006 -8.963 1.00 0.00 C ATOM 591 CD GLU A 462 6.847 1.002 -9.672 1.00 0.00 C ATOM 592 OE1 GLU A 462 7.327 -0.112 -9.964 1.00 0.00 O ATOM 593 OE2 GLU A 462 5.665 1.313 -9.927 1.00 0.00 O ATOM 0 H GLU A 462 8.571 2.420 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 462 9.911 2.690 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 462 8.644 0.611 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.192 1.357 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.200 2.961 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 462 8.627 2.173 -9.547 1.00 0.00 H new ATOM 600 N GLY A 463 8.768 4.861 -7.531 1.00 0.00 N ATOM 601 CA GLY A 463 8.196 6.198 -7.575 1.00 0.00 C ATOM 602 C GLY A 463 8.193 6.880 -6.222 1.00 0.00 C ATOM 603 O GLY A 463 7.248 7.596 -5.880 1.00 0.00 O ATOM 0 H GLY A 463 9.570 4.723 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 463 8.760 6.806 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.174 6.139 -7.949 1.00 0.00 H new ATOM 607 N GLY A 464 9.235 6.631 -5.438 1.00 0.00 N ATOM 608 CA GLY A 464 9.322 7.189 -4.105 1.00 0.00 C ATOM 609 C GLY A 464 8.195 6.704 -3.217 1.00 0.00 C ATOM 610 O GLY A 464 7.581 7.486 -2.492 1.00 0.00 O ATOM 0 H GLY A 464 10.027 6.047 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.279 6.917 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.296 8.277 -4.164 1.00 0.00 H new ATOM 614 N THR A 465 7.866 5.428 -3.348 1.00 0.00 N ATOM 615 CA THR A 465 6.745 4.840 -2.638 1.00 0.00 C ATOM 616 C THR A 465 6.915 3.330 -2.528 1.00 0.00 C ATOM 617 O THR A 465 7.257 2.661 -3.504 1.00 0.00 O ATOM 618 CB THR A 465 5.419 5.176 -3.348 1.00 0.00 C ATOM 619 OG1 THR A 465 5.068 6.543 -3.091 1.00 0.00 O ATOM 620 CG2 THR A 465 4.281 4.255 -2.920 1.00 0.00 C ATOM 0 H THR A 465 8.368 4.774 -3.948 1.00 0.00 H new ATOM 0 HA THR A 465 6.718 5.261 -1.633 1.00 0.00 H new ATOM 0 HB THR A 465 5.570 5.024 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 465 5.845 7.018 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.369 4.533 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.539 3.223 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.121 4.349 -1.846 1.00 0.00 H new ATOM 628 N CYS A 466 6.686 2.801 -1.338 1.00 0.00 N ATOM 629 CA CYS A 466 6.772 1.370 -1.113 1.00 0.00 C ATOM 630 C CYS A 466 5.427 0.745 -1.448 1.00 0.00 C ATOM 631 O CYS A 466 4.397 1.186 -0.943 1.00 0.00 O ATOM 632 CB CYS A 466 7.156 1.098 0.343 1.00 0.00 C ATOM 633 SG CYS A 466 7.714 -0.605 0.688 1.00 0.00 S ATOM 0 H CYS A 466 6.438 3.344 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 466 7.539 0.930 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.949 1.789 0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 466 6.297 1.318 0.977 1.00 0.00 H new ATOM 638 N LYS A 467 5.414 -0.158 -2.415 1.00 0.00 N ATOM 639 CA LYS A 467 4.163 -0.714 -2.916 1.00 0.00 C ATOM 640 C LYS A 467 4.401 -2.057 -3.587 1.00 0.00 C ATOM 641 O LYS A 467 5.524 -2.369 -3.976 1.00 0.00 O ATOM 642 CB LYS A 467 3.474 0.267 -3.882 1.00 0.00 C ATOM 643 CG LYS A 467 4.426 1.202 -4.623 1.00 0.00 C ATOM 644 CD LYS A 467 5.231 0.479 -5.686 1.00 0.00 C ATOM 645 CE LYS A 467 4.371 0.128 -6.883 1.00 0.00 C ATOM 646 NZ LYS A 467 4.046 1.319 -7.715 1.00 0.00 N ATOM 0 H LYS A 467 6.252 -0.522 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 467 3.499 -0.872 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.904 -0.305 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.759 0.868 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 467 3.854 2.006 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 467 5.106 1.666 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 467 6.063 1.107 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 467 5.660 -0.430 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 467 4.889 -0.610 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 467 3.446 -0.336 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 3.014 1.406 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 4.426 2.174 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 4.470 1.210 -8.658 1.00 0.00 H new ATOM 660 N ASP A 468 3.367 -2.882 -3.623 1.00 0.00 N ATOM 661 CA ASP A 468 3.474 -4.232 -4.169 1.00 0.00 C ATOM 662 C ASP A 468 3.769 -4.200 -5.666 1.00 0.00 C ATOM 663 O ASP A 468 4.141 -5.258 -6.219 1.00 0.00 O ATOM 664 CB ASP A 468 2.185 -5.017 -3.919 1.00 0.00 C ATOM 665 CG ASP A 468 1.038 -4.562 -4.800 1.00 0.00 C ATOM 666 OD1 ASP A 468 0.599 -3.399 -4.667 1.00 0.00 O ATOM 667 OD2 ASP A 468 0.569 -5.363 -5.637 1.00 0.00 O ATOM 668 OXT ASP A 468 3.622 -3.126 -6.288 1.00 0.00 O ATOM 0 H ASP A 468 2.437 -2.642 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 468 4.302 -4.727 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 468 2.371 -6.077 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.898 -4.911 -2.873 1.00 0.00 H new TER 673 ASP A 468