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 Set 1.1: A 447 LYS NZ :NH3+ 173:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 465 THR OG1 : rot 152:sc= 1.03 USER MOD Set 2.1: A 427 SER OG : rot -167:sc= 0.00778 USER MOD Set 2.2: A 435 GLN :FLIP amide:sc= -0.0651 F(o=-1.7,f=-0.057) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0.129 USER MOD Single : A 426 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0751) USER MOD Single : A 432 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 433 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 434 THR OG1 : rot -54:sc= 0.536 USER MOD Single : A 436 THR OG1 : rot 180:sc=0.000876 USER MOD Single : A 441 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -132:sc= -0.037 (180deg=-0.255) USER MOD Single : A 449 LYS NZ :NH3+ -127:sc= 1.23 (180deg=-0.829) USER MOD Single : A 452 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.161) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.08) USER MOD Single : A 467 LYS NZ :NH3+ -166:sc= -0.0524 (180deg=-0.257) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -11.963 10.606 -6.438 1.00 0.00 N ATOM 2 CA GLY A 421 -12.099 9.185 -6.829 1.00 0.00 C ATOM 3 C GLY A 421 -12.298 9.035 -8.318 1.00 0.00 C ATOM 4 O GLY A 421 -11.688 9.761 -9.106 1.00 0.00 O ATOM 0 HA2 GLY A 421 -11.208 8.636 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -12.944 8.741 -6.302 1.00 0.00 H new ATOM 10 N THR A 422 -13.186 8.138 -8.710 1.00 0.00 N ATOM 11 CA THR A 422 -13.489 7.932 -10.116 1.00 0.00 C ATOM 12 C THR A 422 -14.994 7.992 -10.361 1.00 0.00 C ATOM 13 O THR A 422 -15.695 8.792 -9.741 1.00 0.00 O ATOM 14 CB THR A 422 -12.926 6.586 -10.619 1.00 0.00 C ATOM 15 OG1 THR A 422 -13.233 5.538 -9.687 1.00 0.00 O ATOM 16 CG2 THR A 422 -11.423 6.669 -10.817 1.00 0.00 C ATOM 0 H THR A 422 -13.711 7.539 -8.073 1.00 0.00 H new ATOM 0 HA THR A 422 -13.009 8.735 -10.675 1.00 0.00 H new ATOM 0 HB THR A 422 -13.393 6.362 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 422 -12.872 4.689 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.049 5.709 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.195 7.441 -11.552 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.944 6.917 -9.870 1.00 0.00 H new ATOM 24 N LYS A 423 -15.482 7.154 -11.267 1.00 0.00 N ATOM 25 CA LYS A 423 -16.903 7.115 -11.586 1.00 0.00 C ATOM 26 C LYS A 423 -17.687 6.428 -10.477 1.00 0.00 C ATOM 27 O LYS A 423 -18.857 6.746 -10.254 1.00 0.00 O ATOM 28 CB LYS A 423 -17.139 6.384 -12.909 1.00 0.00 C ATOM 29 CG LYS A 423 -16.544 7.086 -14.118 1.00 0.00 C ATOM 30 CD LYS A 423 -16.748 6.273 -15.390 1.00 0.00 C ATOM 31 CE LYS A 423 -18.225 6.037 -15.682 1.00 0.00 C ATOM 32 NZ LYS A 423 -18.433 5.201 -16.896 1.00 0.00 N ATOM 0 H LYS A 423 -14.913 6.491 -11.794 1.00 0.00 H new ATOM 0 HA LYS A 423 -17.252 8.143 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -16.716 5.382 -12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -18.212 6.267 -13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -17.005 8.067 -14.234 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -15.479 7.251 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -16.290 6.794 -16.231 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -16.239 5.314 -15.294 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -18.690 5.551 -14.824 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -18.725 6.996 -15.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -19.452 5.067 -17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -18.013 5.676 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -17.979 4.275 -16.762 1.00 0.00 H new ATOM 46 N ALA A 424 -17.076 5.402 -9.881 1.00 0.00 N ATOM 47 CA ALA A 424 -17.741 4.561 -8.885 1.00 0.00 C ATOM 48 C ALA A 424 -18.933 3.858 -9.518 1.00 0.00 C ATOM 49 O ALA A 424 -20.006 3.741 -8.921 1.00 0.00 O ATOM 50 CB ALA A 424 -18.168 5.374 -7.668 1.00 0.00 C ATOM 0 H ALA A 424 -16.111 5.132 -10.074 1.00 0.00 H new ATOM 0 HA ALA A 424 -17.032 3.809 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -18.659 4.720 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -17.290 5.828 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -18.861 6.157 -7.978 1.00 0.00 H new ATOM 56 N SER A 425 -18.739 3.443 -10.760 1.00 0.00 N ATOM 57 CA SER A 425 -19.777 2.794 -11.536 1.00 0.00 C ATOM 58 C SER A 425 -20.032 1.375 -11.042 1.00 0.00 C ATOM 59 O SER A 425 -19.096 0.600 -10.837 1.00 0.00 O ATOM 60 CB SER A 425 -19.367 2.786 -13.009 1.00 0.00 C ATOM 61 OG SER A 425 -17.956 2.878 -13.136 1.00 0.00 O ATOM 0 H SER A 425 -17.854 3.548 -11.257 1.00 0.00 H new ATOM 0 HA SER A 425 -20.707 3.350 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 425 -19.722 1.872 -13.486 1.00 0.00 H new ATOM 0 HB3 SER A 425 -19.839 3.620 -13.528 1.00 0.00 H new ATOM 0 HG SER A 425 -17.712 2.870 -14.085 1.00 0.00 H new ATOM 67 N LYS A 426 -21.305 1.039 -10.872 1.00 0.00 N ATOM 68 CA LYS A 426 -21.697 -0.297 -10.448 1.00 0.00 C ATOM 69 C LYS A 426 -21.375 -1.302 -11.546 1.00 0.00 C ATOM 70 O LYS A 426 -20.939 -2.420 -11.271 1.00 0.00 O ATOM 71 CB LYS A 426 -23.193 -0.334 -10.121 1.00 0.00 C ATOM 72 CG LYS A 426 -23.658 -1.640 -9.493 1.00 0.00 C ATOM 73 CD LYS A 426 -25.160 -1.639 -9.264 1.00 0.00 C ATOM 74 CE LYS A 426 -25.627 -2.915 -8.581 1.00 0.00 C ATOM 75 NZ LYS A 426 -25.137 -3.017 -7.178 1.00 0.00 N ATOM 0 H LYS A 426 -22.086 1.678 -11.022 1.00 0.00 H new ATOM 0 HA LYS A 426 -21.139 -0.560 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -23.426 0.487 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -23.759 -0.161 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -23.387 -2.474 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -23.144 -1.793 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -25.434 -0.779 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -25.673 -1.529 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -26.716 -2.950 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -25.278 -3.777 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -25.601 -3.819 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -24.107 -3.164 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -25.360 -2.139 -6.668 1.00 0.00 H new ATOM 89 N SER A 427 -21.563 -0.865 -12.791 1.00 0.00 N ATOM 90 CA SER A 427 -21.274 -1.678 -13.965 1.00 0.00 C ATOM 91 C SER A 427 -22.075 -2.976 -13.925 1.00 0.00 C ATOM 92 O SER A 427 -21.546 -4.062 -14.182 1.00 0.00 O ATOM 93 CB SER A 427 -19.771 -1.965 -14.044 1.00 0.00 C ATOM 94 OG SER A 427 -19.017 -0.779 -13.836 1.00 0.00 O ATOM 0 H SER A 427 -21.921 0.065 -13.011 1.00 0.00 H new ATOM 0 HA SER A 427 -21.569 -1.128 -14.859 1.00 0.00 H new ATOM 0 HB2 SER A 427 -19.499 -2.710 -13.296 1.00 0.00 H new ATOM 0 HB3 SER A 427 -19.528 -2.389 -15.018 1.00 0.00 H new ATOM 0 HG SER A 427 -18.083 -0.937 -14.088 1.00 0.00 H new ATOM 100 N GLY A 428 -23.339 -2.856 -13.532 1.00 0.00 N ATOM 101 CA GLY A 428 -24.193 -4.015 -13.369 1.00 0.00 C ATOM 102 C GLY A 428 -23.869 -4.788 -12.105 1.00 0.00 C ATOM 103 O GLY A 428 -24.688 -4.866 -11.190 1.00 0.00 O ATOM 0 H GLY A 428 -23.790 -1.965 -13.322 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -25.235 -3.696 -13.342 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -24.083 -4.671 -14.233 1.00 0.00 H new ATOM 107 N VAL A 429 -22.638 -5.267 -12.014 1.00 0.00 N ATOM 108 CA VAL A 429 -22.163 -5.953 -10.827 1.00 0.00 C ATOM 109 C VAL A 429 -20.728 -5.542 -10.521 1.00 0.00 C ATOM 110 O VAL A 429 -19.841 -5.656 -11.368 1.00 0.00 O ATOM 111 CB VAL A 429 -22.239 -7.491 -10.971 1.00 0.00 C ATOM 112 CG1 VAL A 429 -23.674 -7.975 -10.837 1.00 0.00 C ATOM 113 CG2 VAL A 429 -21.649 -7.946 -12.300 1.00 0.00 C ATOM 0 H VAL A 429 -21.945 -5.191 -12.758 1.00 0.00 H new ATOM 0 HA VAL A 429 -22.817 -5.662 -10.005 1.00 0.00 H new ATOM 0 HB VAL A 429 -21.649 -7.930 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -23.703 -9.060 -10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -24.063 -7.694 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -24.286 -7.519 -11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -21.715 -9.031 -12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -22.205 -7.491 -13.120 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -20.604 -7.642 -12.357 1.00 0.00 H new ATOM 123 N PRO A 430 -20.496 -4.999 -9.323 1.00 0.00 N ATOM 124 CA PRO A 430 -19.173 -4.534 -8.915 1.00 0.00 C ATOM 125 C PRO A 430 -18.193 -5.687 -8.737 1.00 0.00 C ATOM 126 O PRO A 430 -18.523 -6.717 -8.140 1.00 0.00 O ATOM 127 CB PRO A 430 -19.429 -3.833 -7.580 1.00 0.00 C ATOM 128 CG PRO A 430 -20.694 -4.429 -7.070 1.00 0.00 C ATOM 129 CD PRO A 430 -21.512 -4.767 -8.283 1.00 0.00 C ATOM 0 HA PRO A 430 -18.720 -3.884 -9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -18.606 -3.997 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -19.525 -2.755 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -20.493 -5.320 -6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -21.224 -3.727 -6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -22.129 -5.651 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -22.186 -3.954 -8.553 1.00 0.00 H new ATOM 137 N VAL A 431 -16.995 -5.509 -9.263 1.00 0.00 N ATOM 138 CA VAL A 431 -15.958 -6.522 -9.188 1.00 0.00 C ATOM 139 C VAL A 431 -14.582 -5.841 -9.159 1.00 0.00 C ATOM 140 O VAL A 431 -13.743 -6.018 -10.049 1.00 0.00 O ATOM 141 CB VAL A 431 -16.079 -7.535 -10.359 1.00 0.00 C ATOM 142 CG1 VAL A 431 -15.974 -6.840 -11.712 1.00 0.00 C ATOM 143 CG2 VAL A 431 -15.050 -8.652 -10.229 1.00 0.00 C ATOM 0 H VAL A 431 -16.714 -4.660 -9.753 1.00 0.00 H new ATOM 0 HA VAL A 431 -16.079 -7.094 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 431 -17.069 -7.987 -10.301 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -16.063 -7.579 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -16.774 -6.106 -11.807 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -15.010 -6.338 -11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -15.159 -9.346 -11.063 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -14.047 -8.226 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -15.207 -9.184 -9.291 1.00 0.00 H new ATOM 153 N THR A 432 -14.407 -4.985 -8.149 1.00 0.00 N ATOM 154 CA THR A 432 -13.197 -4.184 -7.984 1.00 0.00 C ATOM 155 C THR A 432 -13.174 -3.028 -8.993 1.00 0.00 C ATOM 156 O THR A 432 -13.635 -3.171 -10.130 1.00 0.00 O ATOM 157 CB THR A 432 -11.921 -5.045 -8.134 1.00 0.00 C ATOM 158 OG1 THR A 432 -12.101 -6.311 -7.477 1.00 0.00 O ATOM 159 CG2 THR A 432 -10.713 -4.339 -7.539 1.00 0.00 C ATOM 0 H THR A 432 -15.105 -4.829 -7.421 1.00 0.00 H new ATOM 0 HA THR A 432 -13.210 -3.774 -6.974 1.00 0.00 H new ATOM 0 HB THR A 432 -11.746 -5.203 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 432 -11.289 -6.850 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 432 -9.830 -4.966 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 432 -10.556 -3.391 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 432 -10.886 -4.153 -6.479 1.00 0.00 H new ATOM 167 N GLN A 433 -12.744 -1.854 -8.538 1.00 0.00 N ATOM 168 CA GLN A 433 -12.751 -0.643 -9.366 1.00 0.00 C ATOM 169 C GLN A 433 -11.679 -0.676 -10.457 1.00 0.00 C ATOM 170 O GLN A 433 -10.939 0.290 -10.643 1.00 0.00 O ATOM 171 CB GLN A 433 -12.569 0.610 -8.502 1.00 0.00 C ATOM 172 CG GLN A 433 -13.878 1.236 -8.041 1.00 0.00 C ATOM 173 CD GLN A 433 -14.702 0.305 -7.178 1.00 0.00 C ATOM 174 OE1 GLN A 433 -14.285 -0.075 -6.085 1.00 0.00 O ATOM 175 NE2 GLN A 433 -15.873 -0.066 -7.664 1.00 0.00 N ATOM 0 H GLN A 433 -12.383 -1.712 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 433 -13.724 -0.608 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -11.973 0.353 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -12.003 1.350 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -13.663 2.147 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -14.463 1.528 -8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -16.178 0.275 -8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -16.472 -0.693 -7.127 1.00 0.00 H new ATOM 184 N THR A 434 -11.675 -1.738 -11.244 1.00 0.00 N ATOM 185 CA THR A 434 -10.788 -1.836 -12.389 1.00 0.00 C ATOM 186 C THR A 434 -11.537 -1.431 -13.662 1.00 0.00 C ATOM 187 O THR A 434 -11.555 -2.149 -14.664 1.00 0.00 O ATOM 188 CB THR A 434 -10.191 -3.258 -12.518 1.00 0.00 C ATOM 189 OG1 THR A 434 -9.323 -3.340 -13.659 1.00 0.00 O ATOM 190 CG2 THR A 434 -11.288 -4.313 -12.610 1.00 0.00 C ATOM 0 H THR A 434 -12.280 -2.548 -11.109 1.00 0.00 H new ATOM 0 HA THR A 434 -9.953 -1.150 -12.242 1.00 0.00 H new ATOM 0 HB THR A 434 -9.607 -3.456 -11.619 1.00 0.00 H new ATOM 0 HG1 THR A 434 -9.806 -3.046 -14.459 1.00 0.00 H new ATOM 0 HG21 THR A 434 -10.836 -5.301 -12.700 1.00 0.00 H new ATOM 0 HG22 THR A 434 -11.904 -4.276 -11.712 1.00 0.00 H new ATOM 0 HG23 THR A 434 -11.909 -4.117 -13.484 1.00 0.00 H new ATOM 198 N GLN A 435 -12.179 -0.275 -13.602 1.00 0.00 N ATOM 199 CA GLN A 435 -12.931 0.247 -14.733 1.00 0.00 C ATOM 200 C GLN A 435 -11.978 0.939 -15.705 1.00 0.00 C ATOM 201 O GLN A 435 -10.972 0.357 -16.111 1.00 0.00 O ATOM 202 CB GLN A 435 -14.006 1.228 -14.253 1.00 0.00 C ATOM 203 CG GLN A 435 -14.749 0.777 -13.004 1.00 0.00 C ATOM 204 CD GLN A 435 -15.583 -0.480 -13.194 1.00 0.00 C ATOM 205 OE1 GLN A 435 -15.754 -0.922 -14.428 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -16.097 -1.034 -12.223 1.00 0.00 N flip ATOM 0 H GLN A 435 -12.194 0.323 -12.776 1.00 0.00 H new ATOM 0 HA GLN A 435 -13.425 -0.579 -15.244 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -13.539 2.193 -14.056 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -14.727 1.381 -15.056 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -14.025 0.602 -12.208 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -15.401 1.585 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -15.943 -0.665 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -16.677 -1.862 -12.356 1.00 0.00 H new ATOM 215 N THR A 436 -12.247 2.206 -16.001 1.00 0.00 N ATOM 216 CA THR A 436 -11.361 3.001 -16.839 1.00 0.00 C ATOM 217 C THR A 436 -9.999 3.150 -16.166 1.00 0.00 C ATOM 218 O THR A 436 -8.968 2.786 -16.733 1.00 0.00 O ATOM 219 CB THR A 436 -11.964 4.394 -17.093 1.00 0.00 C ATOM 220 OG1 THR A 436 -13.353 4.257 -17.430 1.00 0.00 O ATOM 221 CG2 THR A 436 -11.235 5.113 -18.217 1.00 0.00 C ATOM 0 H THR A 436 -13.074 2.704 -15.671 1.00 0.00 H new ATOM 0 HA THR A 436 -11.240 2.489 -17.794 1.00 0.00 H new ATOM 0 HB THR A 436 -11.856 4.987 -16.185 1.00 0.00 H new ATOM 0 HG1 THR A 436 -13.740 5.143 -17.591 1.00 0.00 H new ATOM 0 HG21 THR A 436 -11.684 6.094 -18.373 1.00 0.00 H new ATOM 0 HG22 THR A 436 -10.185 5.233 -17.951 1.00 0.00 H new ATOM 0 HG23 THR A 436 -11.313 4.529 -19.134 1.00 0.00 H new ATOM 229 N ALA A 437 -10.024 3.552 -14.904 1.00 0.00 N ATOM 230 CA ALA A 437 -8.817 3.611 -14.098 1.00 0.00 C ATOM 231 C ALA A 437 -8.513 2.242 -13.504 1.00 0.00 C ATOM 232 O ALA A 437 -9.430 1.459 -13.231 1.00 0.00 O ATOM 233 CB ALA A 437 -8.961 4.650 -12.999 1.00 0.00 C ATOM 0 H ALA A 437 -10.871 3.843 -14.416 1.00 0.00 H new ATOM 0 HA ALA A 437 -7.985 3.904 -14.738 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -8.047 4.680 -12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -9.137 5.629 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -9.802 4.387 -12.358 1.00 0.00 H new ATOM 239 N GLY A 438 -7.231 1.942 -13.342 1.00 0.00 N ATOM 240 CA GLY A 438 -6.822 0.660 -12.797 1.00 0.00 C ATOM 241 C GLY A 438 -7.278 0.466 -11.363 1.00 0.00 C ATOM 242 O GLY A 438 -7.350 1.428 -10.592 1.00 0.00 O ATOM 0 H GLY A 438 -6.461 2.568 -13.580 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.228 -0.140 -13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -5.736 0.579 -12.844 1.00 0.00 H new ATOM 246 N ALA A 439 -7.587 -0.776 -11.008 1.00 0.00 N ATOM 247 CA ALA A 439 -8.034 -1.110 -9.659 1.00 0.00 C ATOM 248 C ALA A 439 -6.936 -0.848 -8.638 1.00 0.00 C ATOM 249 O ALA A 439 -5.757 -1.090 -8.912 1.00 0.00 O ATOM 250 CB ALA A 439 -8.470 -2.563 -9.595 1.00 0.00 C ATOM 0 H ALA A 439 -7.536 -1.575 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 439 -8.884 -0.472 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -8.801 -2.799 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -9.291 -2.728 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -7.632 -3.207 -9.862 1.00 0.00 H new ATOM 256 N ASP A 440 -7.331 -0.368 -7.463 1.00 0.00 N ATOM 257 CA ASP A 440 -6.389 -0.076 -6.386 1.00 0.00 C ATOM 258 C ASP A 440 -5.912 -1.368 -5.722 1.00 0.00 C ATOM 259 O ASP A 440 -6.283 -1.677 -4.589 1.00 0.00 O ATOM 260 CB ASP A 440 -7.035 0.837 -5.342 1.00 0.00 C ATOM 261 CG ASP A 440 -6.027 1.429 -4.376 1.00 0.00 C ATOM 262 OD1 ASP A 440 -4.814 1.420 -4.681 1.00 0.00 O ATOM 263 OD2 ASP A 440 -6.448 1.937 -3.313 1.00 0.00 O ATOM 0 H ASP A 440 -8.305 -0.172 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 440 -5.528 0.435 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -7.563 1.644 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -7.780 0.271 -4.782 1.00 0.00 H new ATOM 268 N THR A 441 -5.171 -2.162 -6.480 1.00 0.00 N ATOM 269 CA THR A 441 -4.687 -3.454 -6.016 1.00 0.00 C ATOM 270 C THR A 441 -3.630 -3.288 -4.926 1.00 0.00 C ATOM 271 O THR A 441 -3.473 -4.158 -4.063 1.00 0.00 O ATOM 272 CB THR A 441 -4.105 -4.286 -7.186 1.00 0.00 C ATOM 273 OG1 THR A 441 -3.605 -5.543 -6.713 1.00 0.00 O ATOM 274 CG2 THR A 441 -2.992 -3.535 -7.906 1.00 0.00 C ATOM 0 H THR A 441 -4.889 -1.930 -7.432 1.00 0.00 H new ATOM 0 HA THR A 441 -5.541 -3.987 -5.598 1.00 0.00 H new ATOM 0 HB THR A 441 -4.916 -4.462 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 441 -3.243 -6.055 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 441 -2.607 -4.148 -8.721 1.00 0.00 H new ATOM 0 HG22 THR A 441 -3.385 -2.601 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 441 -2.187 -3.317 -7.204 1.00 0.00 H new ATOM 282 N THR A 442 -2.879 -2.195 -5.003 1.00 0.00 N ATOM 283 CA THR A 442 -1.788 -1.938 -4.079 1.00 0.00 C ATOM 284 C THR A 442 -2.257 -1.960 -2.629 1.00 0.00 C ATOM 285 O THR A 442 -3.103 -1.156 -2.226 1.00 0.00 O ATOM 286 CB THR A 442 -1.146 -0.570 -4.372 1.00 0.00 C ATOM 287 OG1 THR A 442 -0.809 -0.475 -5.761 1.00 0.00 O ATOM 288 CG2 THR A 442 0.096 -0.351 -3.524 1.00 0.00 C ATOM 0 H THR A 442 -3.011 -1.467 -5.705 1.00 0.00 H new ATOM 0 HA THR A 442 -1.056 -2.733 -4.221 1.00 0.00 H new ATOM 0 HB THR A 442 -1.871 0.204 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 442 -0.403 0.399 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 442 0.526 0.624 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 442 -0.173 -0.389 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 442 0.827 -1.130 -3.741 1.00 0.00 H new ATOM 296 N ALA A 443 -1.658 -2.838 -1.838 1.00 0.00 N ATOM 297 CA ALA A 443 -1.942 -2.894 -0.420 1.00 0.00 C ATOM 298 C ALA A 443 -1.206 -1.769 0.299 1.00 0.00 C ATOM 299 O ALA A 443 -0.043 -1.484 -0.005 1.00 0.00 O ATOM 300 CB ALA A 443 -1.547 -4.246 0.153 1.00 0.00 C ATOM 0 H ALA A 443 -0.972 -3.521 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 443 -3.014 -2.766 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -1.769 -4.268 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -2.109 -5.033 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -0.480 -4.408 0.001 1.00 0.00 H new ATOM 306 N GLU A 444 -1.910 -1.056 1.159 1.00 0.00 N ATOM 307 CA GLU A 444 -1.339 0.097 1.818 1.00 0.00 C ATOM 308 C GLU A 444 -0.845 -0.253 3.220 1.00 0.00 C ATOM 309 O GLU A 444 -0.779 0.595 4.114 1.00 0.00 O ATOM 310 CB GLU A 444 -2.359 1.228 1.843 1.00 0.00 C ATOM 311 CG GLU A 444 -1.781 2.572 2.239 1.00 0.00 C ATOM 312 CD GLU A 444 -2.802 3.687 2.193 1.00 0.00 C ATOM 313 OE1 GLU A 444 -3.406 3.908 1.124 1.00 0.00 O ATOM 314 OE2 GLU A 444 -2.992 4.360 3.221 1.00 0.00 O ATOM 0 H GLU A 444 -2.877 -1.257 1.415 1.00 0.00 H new ATOM 0 HA GLU A 444 -0.467 0.431 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -2.813 1.316 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -3.157 0.968 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.371 2.503 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -0.953 2.816 1.574 1.00 0.00 H new ATOM 321 N LYS A 445 -0.297 -1.447 3.336 1.00 0.00 N ATOM 322 CA LYS A 445 0.417 -1.823 4.539 1.00 0.00 C ATOM 323 C LYS A 445 1.854 -1.344 4.404 1.00 0.00 C ATOM 324 O LYS A 445 2.415 -0.737 5.319 1.00 0.00 O ATOM 325 CB LYS A 445 0.361 -3.334 4.760 1.00 0.00 C ATOM 326 CG LYS A 445 -1.054 -3.875 4.908 1.00 0.00 C ATOM 327 CD LYS A 445 -1.057 -5.377 5.136 1.00 0.00 C ATOM 328 CE LYS A 445 -2.470 -5.917 5.295 1.00 0.00 C ATOM 329 NZ LYS A 445 -3.171 -5.314 6.460 1.00 0.00 N ATOM 0 H LYS A 445 -0.332 -2.169 2.616 1.00 0.00 H new ATOM 0 HA LYS A 445 -0.049 -1.358 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 445 0.847 -3.834 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 445 0.932 -3.584 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 445 -1.549 -3.379 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 445 -1.629 -3.641 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 445 -0.569 -5.874 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 445 -0.475 -5.611 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 445 -3.039 -5.717 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 445 -2.433 -7.000 5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -3.615 -6.066 7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -2.486 -4.797 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -3.903 -4.657 6.123 1.00 0.00 H new ATOM 343 N CYS A 446 2.383 -1.507 3.199 1.00 0.00 N ATOM 344 CA CYS A 446 3.699 -1.000 2.851 1.00 0.00 C ATOM 345 C CYS A 446 3.605 0.386 2.220 1.00 0.00 C ATOM 346 O CYS A 446 4.475 1.227 2.441 1.00 0.00 O ATOM 347 CB CYS A 446 4.419 -1.967 1.912 1.00 0.00 C ATOM 348 SG CYS A 446 5.213 -3.366 2.768 1.00 0.00 S ATOM 0 H CYS A 446 1.911 -1.994 2.437 1.00 0.00 H new ATOM 0 HA CYS A 446 4.278 -0.914 3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.704 -2.355 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.176 -1.419 1.351 1.00 0.00 H new ATOM 353 N LYS A 447 2.533 0.640 1.464 1.00 0.00 N ATOM 354 CA LYS A 447 2.336 1.950 0.851 1.00 0.00 C ATOM 355 C LYS A 447 2.293 3.029 1.928 1.00 0.00 C ATOM 356 O LYS A 447 1.472 2.970 2.844 1.00 0.00 O ATOM 357 CB LYS A 447 1.046 1.957 0.020 1.00 0.00 C ATOM 358 CG LYS A 447 0.577 3.345 -0.406 1.00 0.00 C ATOM 359 CD LYS A 447 1.531 4.006 -1.391 1.00 0.00 C ATOM 360 CE LYS A 447 1.466 3.356 -2.762 1.00 0.00 C ATOM 361 NZ LYS A 447 2.167 4.170 -3.790 1.00 0.00 N ATOM 0 H LYS A 447 1.797 -0.038 1.265 1.00 0.00 H new ATOM 0 HA LYS A 447 3.172 2.161 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 447 1.200 1.349 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.254 1.481 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.412 3.268 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.475 3.977 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.287 5.065 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 447 2.549 3.945 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.914 2.363 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.424 3.222 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.205 3.641 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.653 5.062 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.134 4.377 -3.469 1.00 0.00 H new ATOM 375 N GLY A 448 3.250 3.942 1.875 1.00 0.00 N ATOM 376 CA GLY A 448 3.362 4.951 2.904 1.00 0.00 C ATOM 377 C GLY A 448 4.705 4.904 3.599 1.00 0.00 C ATOM 378 O GLY A 448 5.193 5.921 4.092 1.00 0.00 O ATOM 0 H GLY A 448 3.951 4.002 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.216 5.937 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.569 4.810 3.638 1.00 0.00 H new ATOM 382 N LYS A 449 5.301 3.720 3.651 1.00 0.00 N ATOM 383 CA LYS A 449 6.593 3.545 4.301 1.00 0.00 C ATOM 384 C LYS A 449 7.715 4.142 3.470 1.00 0.00 C ATOM 385 O LYS A 449 7.715 4.033 2.244 1.00 0.00 O ATOM 386 CB LYS A 449 6.888 2.067 4.527 1.00 0.00 C ATOM 387 CG LYS A 449 6.012 1.408 5.568 1.00 0.00 C ATOM 388 CD LYS A 449 6.382 -0.053 5.725 1.00 0.00 C ATOM 389 CE LYS A 449 5.713 -0.672 6.933 1.00 0.00 C ATOM 390 NZ LYS A 449 6.168 -0.053 8.206 1.00 0.00 N ATOM 0 H LYS A 449 4.911 2.867 3.251 1.00 0.00 H new ATOM 0 HA LYS A 449 6.541 4.062 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.770 1.537 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.931 1.958 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.122 1.922 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.965 1.495 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.092 -0.600 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 449 7.464 -0.146 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 449 4.632 -0.562 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 449 5.924 -1.741 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 6.496 -0.796 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 6.948 0.607 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.378 0.464 8.642 1.00 0.00 H new ATOM 404 N GLY A 450 8.720 4.662 4.152 1.00 0.00 N ATOM 405 CA GLY A 450 9.912 5.126 3.481 1.00 0.00 C ATOM 406 C GLY A 450 10.860 3.984 3.175 1.00 0.00 C ATOM 407 O GLY A 450 10.642 2.853 3.619 1.00 0.00 O ATOM 0 H GLY A 450 8.731 4.772 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.636 5.629 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.418 5.863 4.105 1.00 0.00 H new ATOM 411 N GLU A 451 11.923 4.285 2.447 1.00 0.00 N ATOM 412 CA GLU A 451 12.937 3.297 2.099 1.00 0.00 C ATOM 413 C GLU A 451 13.633 2.779 3.353 1.00 0.00 C ATOM 414 O GLU A 451 13.951 1.596 3.458 1.00 0.00 O ATOM 415 CB GLU A 451 13.939 3.930 1.133 1.00 0.00 C ATOM 416 CG GLU A 451 15.173 3.087 0.822 1.00 0.00 C ATOM 417 CD GLU A 451 14.880 1.874 -0.037 1.00 0.00 C ATOM 418 OE1 GLU A 451 14.386 0.861 0.492 1.00 0.00 O ATOM 419 OE2 GLU A 451 15.160 1.926 -1.254 1.00 0.00 O ATOM 0 H GLU A 451 12.109 5.218 2.080 1.00 0.00 H new ATOM 0 HA GLU A 451 12.465 2.444 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.426 4.151 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.267 4.883 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 451 15.910 3.710 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 451 15.623 2.758 1.759 1.00 0.00 H new ATOM 426 N LYS A 452 13.776 3.646 4.347 1.00 0.00 N ATOM 427 CA LYS A 452 14.369 3.251 5.619 1.00 0.00 C ATOM 428 C LYS A 452 13.333 2.592 6.534 1.00 0.00 C ATOM 429 O LYS A 452 13.381 2.730 7.759 1.00 0.00 O ATOM 430 CB LYS A 452 15.000 4.456 6.315 1.00 0.00 C ATOM 431 CG LYS A 452 14.022 5.579 6.614 1.00 0.00 C ATOM 432 CD LYS A 452 14.662 6.660 7.471 1.00 0.00 C ATOM 433 CE LYS A 452 15.167 6.101 8.794 1.00 0.00 C ATOM 434 NZ LYS A 452 14.075 5.481 9.592 1.00 0.00 N ATOM 0 H LYS A 452 13.491 4.624 4.298 1.00 0.00 H new ATOM 0 HA LYS A 452 15.149 2.519 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 452 15.455 4.126 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.803 4.845 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 452 13.670 6.015 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 452 13.149 5.176 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.491 7.113 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 452 13.936 7.450 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 452 15.941 5.358 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 452 15.629 6.901 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 14.412 5.298 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 13.260 6.127 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 13.788 4.584 9.150 1.00 0.00 H new ATOM 448 N ASP A 453 12.421 1.844 5.929 1.00 0.00 N ATOM 449 CA ASP A 453 11.396 1.123 6.672 1.00 0.00 C ATOM 450 C ASP A 453 10.816 -0.003 5.830 1.00 0.00 C ATOM 451 O ASP A 453 10.680 -1.133 6.294 1.00 0.00 O ATOM 452 CB ASP A 453 10.259 2.061 7.080 1.00 0.00 C ATOM 453 CG ASP A 453 9.293 1.399 8.046 1.00 0.00 C ATOM 454 OD1 ASP A 453 9.709 0.465 8.763 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.125 1.834 8.127 1.00 0.00 O ATOM 0 H ASP A 453 12.370 1.720 4.918 1.00 0.00 H new ATOM 0 HA ASP A 453 11.868 0.711 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 453 10.676 2.956 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.718 2.383 6.190 1.00 0.00 H new ATOM 460 N CYS A 454 10.408 0.333 4.615 1.00 0.00 N ATOM 461 CA CYS A 454 9.762 -0.626 3.735 1.00 0.00 C ATOM 462 C CYS A 454 10.764 -1.640 3.203 1.00 0.00 C ATOM 463 O CYS A 454 11.739 -1.277 2.545 1.00 0.00 O ATOM 464 CB CYS A 454 9.072 0.098 2.577 1.00 0.00 C ATOM 465 SG CYS A 454 7.486 -0.673 2.114 1.00 0.00 S ATOM 0 H CYS A 454 10.514 1.266 4.216 1.00 0.00 H new ATOM 0 HA CYS A 454 9.010 -1.164 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 454 8.899 1.138 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 454 9.735 0.105 1.712 1.00 0.00 H new ATOM 470 N LYS A 455 10.516 -2.912 3.490 1.00 0.00 N ATOM 471 CA LYS A 455 11.380 -3.980 3.011 1.00 0.00 C ATOM 472 C LYS A 455 11.135 -4.234 1.526 1.00 0.00 C ATOM 473 O LYS A 455 9.998 -4.426 1.100 1.00 0.00 O ATOM 474 CB LYS A 455 11.169 -5.258 3.834 1.00 0.00 C ATOM 475 CG LYS A 455 9.709 -5.639 4.040 1.00 0.00 C ATOM 476 CD LYS A 455 9.575 -6.959 4.784 1.00 0.00 C ATOM 477 CE LYS A 455 10.193 -6.897 6.171 1.00 0.00 C ATOM 478 NZ LYS A 455 10.133 -8.213 6.857 1.00 0.00 N ATOM 0 H LYS A 455 9.725 -3.227 4.051 1.00 0.00 H new ATOM 0 HA LYS A 455 12.418 -3.672 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 455 11.681 -6.083 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 455 11.640 -5.130 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 455 9.202 -4.852 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 455 9.212 -5.714 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 455 8.521 -7.222 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 455 10.056 -7.750 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 455 11.231 -6.574 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 455 9.671 -6.150 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 10.564 -8.133 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 9.141 -8.509 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 10.653 -8.920 6.298 1.00 0.00 H new ATOM 492 N SER A 456 12.192 -4.106 0.738 1.00 0.00 N ATOM 493 CA SER A 456 12.089 -4.180 -0.714 1.00 0.00 C ATOM 494 C SER A 456 11.757 -5.590 -1.236 1.00 0.00 C ATOM 495 O SER A 456 10.947 -5.719 -2.154 1.00 0.00 O ATOM 496 CB SER A 456 13.375 -3.657 -1.349 1.00 0.00 C ATOM 497 OG SER A 456 13.670 -2.348 -0.879 1.00 0.00 O ATOM 0 H SER A 456 13.139 -3.949 1.082 1.00 0.00 H new ATOM 0 HA SER A 456 11.248 -3.550 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.201 -4.328 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.272 -3.645 -2.434 1.00 0.00 H new ATOM 0 HG SER A 456 14.498 -2.030 -1.295 1.00 0.00 H new ATOM 503 N PRO A 457 12.400 -6.668 -0.736 1.00 0.00 N ATOM 504 CA PRO A 457 12.105 -8.021 -1.221 1.00 0.00 C ATOM 505 C PRO A 457 10.624 -8.366 -1.056 1.00 0.00 C ATOM 506 O PRO A 457 10.008 -8.966 -1.939 1.00 0.00 O ATOM 507 CB PRO A 457 12.973 -8.925 -0.341 1.00 0.00 C ATOM 508 CG PRO A 457 14.066 -8.044 0.151 1.00 0.00 C ATOM 509 CD PRO A 457 13.460 -6.679 0.294 1.00 0.00 C ATOM 0 HA PRO A 457 12.315 -8.133 -2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 457 12.398 -9.341 0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 457 13.369 -9.767 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 457 14.456 -8.400 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 457 14.901 -8.029 -0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 457 13.052 -6.523 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 457 14.195 -5.893 0.123 1.00 0.00 H new ATOM 517 N ASP A 458 10.054 -7.965 0.076 1.00 0.00 N ATOM 518 CA ASP A 458 8.649 -8.232 0.365 1.00 0.00 C ATOM 519 C ASP A 458 7.727 -7.232 -0.333 1.00 0.00 C ATOM 520 O ASP A 458 6.681 -7.611 -0.862 1.00 0.00 O ATOM 521 CB ASP A 458 8.394 -8.189 1.869 1.00 0.00 C ATOM 522 CG ASP A 458 7.033 -8.733 2.247 1.00 0.00 C ATOM 523 OD1 ASP A 458 6.803 -9.947 2.064 1.00 0.00 O ATOM 524 OD2 ASP A 458 6.192 -7.959 2.747 1.00 0.00 O ATOM 0 H ASP A 458 10.544 -7.453 0.809 1.00 0.00 H new ATOM 0 HA ASP A 458 8.427 -9.229 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 458 9.166 -8.764 2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.479 -7.160 2.218 1.00 0.00 H new ATOM 529 N CYS A 459 8.085 -5.953 -0.301 1.00 0.00 N ATOM 530 CA CYS A 459 7.242 -4.917 -0.886 1.00 0.00 C ATOM 531 C CYS A 459 7.988 -4.142 -1.962 1.00 0.00 C ATOM 532 O CYS A 459 9.152 -3.783 -1.796 1.00 0.00 O ATOM 533 CB CYS A 459 6.724 -3.975 0.202 1.00 0.00 C ATOM 534 SG CYS A 459 5.487 -4.742 1.304 1.00 0.00 S ATOM 0 H CYS A 459 8.948 -5.610 0.121 1.00 0.00 H new ATOM 0 HA CYS A 459 6.389 -5.402 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.566 -3.627 0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.283 -3.096 -0.269 1.00 0.00 H new ATOM 539 N LYS A 460 7.321 -3.944 -3.087 1.00 0.00 N ATOM 540 CA LYS A 460 7.917 -3.295 -4.245 1.00 0.00 C ATOM 541 C LYS A 460 8.266 -1.844 -3.941 1.00 0.00 C ATOM 542 O LYS A 460 7.468 -1.107 -3.358 1.00 0.00 O ATOM 543 CB LYS A 460 6.944 -3.357 -5.423 1.00 0.00 C ATOM 544 CG LYS A 460 6.389 -4.748 -5.677 1.00 0.00 C ATOM 545 CD LYS A 460 5.014 -4.681 -6.317 1.00 0.00 C ATOM 546 CE LYS A 460 4.342 -6.044 -6.341 1.00 0.00 C ATOM 547 NZ LYS A 460 2.921 -5.947 -6.759 1.00 0.00 N ATOM 0 H LYS A 460 6.351 -4.228 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 460 8.838 -3.820 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 460 6.116 -2.672 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.451 -3.007 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.069 -5.301 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 460 6.329 -5.296 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 460 4.390 -3.976 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 460 5.104 -4.301 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 460 4.878 -6.702 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 460 4.400 -6.496 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 2.514 -6.901 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 2.389 -5.395 -6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 2.863 -5.477 -7.685 1.00 0.00 H new ATOM 561 N TRP A 461 9.425 -1.422 -4.413 1.00 0.00 N ATOM 562 CA TRP A 461 9.847 -0.041 -4.277 1.00 0.00 C ATOM 563 C TRP A 461 10.047 0.562 -5.658 1.00 0.00 C ATOM 564 O TRP A 461 10.704 -0.044 -6.511 1.00 0.00 O ATOM 565 CB TRP A 461 11.150 0.046 -3.485 1.00 0.00 C ATOM 566 CG TRP A 461 11.480 1.438 -3.051 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.429 2.262 -3.578 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.872 2.158 -1.981 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.424 3.463 -2.916 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.481 3.419 -1.927 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.859 1.860 -1.068 1.00 0.00 C ATOM 572 CZ2 TRP A 461 11.116 4.379 -0.993 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.501 2.813 -0.141 1.00 0.00 C ATOM 574 CH2 TRP A 461 10.124 4.060 -0.113 1.00 0.00 C ATOM 0 H TRP A 461 10.094 -2.021 -4.897 1.00 0.00 H new ATOM 0 HA TRP A 461 9.077 0.512 -3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.078 -0.595 -2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 461 11.966 -0.341 -4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 461 13.087 2.007 -4.395 1.00 0.00 H new ATOM 0 HE1 TRP A 461 13.026 4.259 -3.127 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.365 0.900 -1.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.600 5.344 -0.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.725 2.591 0.576 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.814 4.789 0.621 1.00 0.00 H new ATOM 585 N GLU A 462 9.446 1.723 -5.892 1.00 0.00 N ATOM 586 CA GLU A 462 9.525 2.371 -7.192 1.00 0.00 C ATOM 587 C GLU A 462 8.963 3.787 -7.124 1.00 0.00 C ATOM 588 O GLU A 462 7.875 4.001 -6.595 1.00 0.00 O ATOM 589 CB GLU A 462 8.749 1.552 -8.226 1.00 0.00 C ATOM 590 CG GLU A 462 8.798 2.124 -9.631 1.00 0.00 C ATOM 591 CD GLU A 462 7.987 1.307 -10.612 1.00 0.00 C ATOM 592 OE1 GLU A 462 8.341 0.132 -10.850 1.00 0.00 O ATOM 593 OE2 GLU A 462 6.986 1.830 -11.144 1.00 0.00 O ATOM 0 H GLU A 462 8.900 2.233 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 462 10.572 2.430 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 462 9.147 0.538 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.708 1.480 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 462 8.424 3.148 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 462 9.834 2.168 -9.967 1.00 0.00 H new ATOM 600 N GLY A 463 9.710 4.741 -7.670 1.00 0.00 N ATOM 601 CA GLY A 463 9.261 6.124 -7.716 1.00 0.00 C ATOM 602 C GLY A 463 9.083 6.742 -6.342 1.00 0.00 C ATOM 603 O GLY A 463 8.206 7.586 -6.143 1.00 0.00 O ATOM 0 H GLY A 463 10.627 4.580 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 463 9.982 6.714 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 463 8.315 6.174 -8.255 1.00 0.00 H new ATOM 607 N GLY A 464 9.966 6.380 -5.420 1.00 0.00 N ATOM 608 CA GLY A 464 9.934 6.949 -4.084 1.00 0.00 C ATOM 609 C GLY A 464 8.638 6.656 -3.352 1.00 0.00 C ATOM 610 O GLY A 464 8.112 7.511 -2.637 1.00 0.00 O ATOM 0 H GLY A 464 10.709 5.698 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.770 6.555 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 464 10.073 8.028 -4.150 1.00 0.00 H new ATOM 614 N THR A 465 8.132 5.444 -3.514 1.00 0.00 N ATOM 615 CA THR A 465 6.910 5.029 -2.850 1.00 0.00 C ATOM 616 C THR A 465 6.815 3.507 -2.848 1.00 0.00 C ATOM 617 O THR A 465 7.275 2.842 -3.781 1.00 0.00 O ATOM 618 CB THR A 465 5.650 5.650 -3.511 1.00 0.00 C ATOM 619 OG1 THR A 465 4.473 5.325 -2.754 1.00 0.00 O ATOM 620 CG2 THR A 465 5.477 5.164 -4.944 1.00 0.00 C ATOM 0 H THR A 465 8.553 4.727 -4.104 1.00 0.00 H new ATOM 0 HA THR A 465 6.947 5.392 -1.823 1.00 0.00 H new ATOM 0 HB THR A 465 5.789 6.731 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.802 6.029 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.586 5.618 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.350 5.446 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.371 4.079 -4.950 1.00 0.00 H new ATOM 628 N CYS A 466 6.357 2.960 -1.737 1.00 0.00 N ATOM 629 CA CYS A 466 6.291 1.523 -1.565 1.00 0.00 C ATOM 630 C CYS A 466 4.931 1.003 -2.008 1.00 0.00 C ATOM 631 O CYS A 466 3.921 1.694 -1.862 1.00 0.00 O ATOM 632 CB CYS A 466 6.555 1.152 -0.109 1.00 0.00 C ATOM 633 SG CYS A 466 7.368 -0.462 0.105 1.00 0.00 S ATOM 0 H CYS A 466 6.023 3.495 -0.935 1.00 0.00 H new ATOM 0 HA CYS A 466 7.059 1.060 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.176 1.924 0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.608 1.146 0.431 1.00 0.00 H new ATOM 638 N LYS A 467 4.909 -0.179 -2.600 1.00 0.00 N ATOM 639 CA LYS A 467 3.668 -0.754 -3.100 1.00 0.00 C ATOM 640 C LYS A 467 3.710 -2.277 -3.031 1.00 0.00 C ATOM 641 O LYS A 467 4.767 -2.880 -3.176 1.00 0.00 O ATOM 642 CB LYS A 467 3.385 -0.295 -4.541 1.00 0.00 C ATOM 643 CG LYS A 467 4.402 -0.754 -5.578 1.00 0.00 C ATOM 644 CD LYS A 467 5.604 0.181 -5.665 1.00 0.00 C ATOM 645 CE LYS A 467 5.210 1.570 -6.153 1.00 0.00 C ATOM 646 NZ LYS A 467 4.556 1.532 -7.488 1.00 0.00 N ATOM 0 H LYS A 467 5.734 -0.760 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 467 2.858 -0.399 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.400 -0.659 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.340 0.794 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 467 4.744 -1.759 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 467 3.920 -0.814 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 467 6.074 0.260 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 467 6.346 -0.244 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 467 4.533 2.028 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 467 6.097 2.201 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 4.520 2.493 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 5.101 0.915 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 3.589 1.162 -7.390 1.00 0.00 H new ATOM 660 N ASP A 468 2.564 -2.891 -2.789 1.00 0.00 N ATOM 661 CA ASP A 468 2.483 -4.342 -2.712 1.00 0.00 C ATOM 662 C ASP A 468 1.274 -4.827 -3.494 1.00 0.00 C ATOM 663 O ASP A 468 1.459 -5.414 -4.581 1.00 0.00 O ATOM 664 CB ASP A 468 2.378 -4.802 -1.258 1.00 0.00 C ATOM 665 CG ASP A 468 2.514 -6.307 -1.104 1.00 0.00 C ATOM 666 OD1 ASP A 468 2.952 -6.981 -2.059 1.00 0.00 O ATOM 667 OD2 ASP A 468 2.220 -6.825 -0.008 1.00 0.00 O ATOM 668 OXT ASP A 468 0.138 -4.584 -3.038 1.00 0.00 O ATOM 0 H ASP A 468 1.677 -2.409 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 468 3.391 -4.765 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 468 3.152 -4.310 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.418 -4.485 -0.850 1.00 0.00 H new TER 673 ASP A 468