USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=16 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 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 158:sc= -0.0918 (180deg=-0.539) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -172:sc= -0.0081 (180deg=-0.0827) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 LYS NZ :NH3+ -159:sc= 1.02 (180deg=0.0536) USER MOD Single : A 452 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.11) USER MOD Single : A 455 LYS NZ :NH3+ -153:sc= -0.0816 (180deg=-0.455) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 166:sc= -0.0109 (180deg=-0.19) USER MOD Single : A 465 THR OG1 : rot 29:sc= 0.0412 USER MOD Single : A 467 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -14.704 1.864 -20.056 1.00 0.00 N ATOM 2 CA GLY A 421 -14.151 0.494 -19.941 1.00 0.00 C ATOM 3 C GLY A 421 -14.075 -0.203 -21.277 1.00 0.00 C ATOM 4 O GLY A 421 -14.922 0.011 -22.147 1.00 0.00 O ATOM 0 HA2 GLY A 421 -13.155 0.542 -19.501 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -14.772 -0.091 -19.263 1.00 0.00 H new ATOM 10 N THR A 422 -13.042 -1.006 -21.459 1.00 0.00 N ATOM 11 CA THR A 422 -12.838 -1.724 -22.704 1.00 0.00 C ATOM 12 C THR A 422 -13.518 -3.095 -22.661 1.00 0.00 C ATOM 13 O THR A 422 -14.071 -3.557 -23.660 1.00 0.00 O ATOM 14 CB THR A 422 -11.335 -1.895 -22.992 1.00 0.00 C ATOM 15 OG1 THR A 422 -10.656 -0.651 -22.767 1.00 0.00 O ATOM 16 CG2 THR A 422 -11.102 -2.350 -24.427 1.00 0.00 C ATOM 0 H THR A 422 -12.326 -1.178 -20.753 1.00 0.00 H new ATOM 0 HA THR A 422 -13.287 -1.137 -23.505 1.00 0.00 H new ATOM 0 HB THR A 422 -10.942 -2.658 -22.320 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.700 -0.763 -22.949 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.032 -2.463 -24.604 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.600 -3.306 -24.591 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.507 -1.607 -25.114 1.00 0.00 H new ATOM 24 N LYS A 423 -13.459 -3.746 -21.501 1.00 0.00 N ATOM 25 CA LYS A 423 -14.049 -5.072 -21.332 1.00 0.00 C ATOM 26 C LYS A 423 -15.565 -5.009 -21.453 1.00 0.00 C ATOM 27 O LYS A 423 -16.210 -4.156 -20.843 1.00 0.00 O ATOM 28 CB LYS A 423 -13.655 -5.667 -19.977 1.00 0.00 C ATOM 29 CG LYS A 423 -12.152 -5.751 -19.740 1.00 0.00 C ATOM 30 CD LYS A 423 -11.474 -6.830 -20.579 1.00 0.00 C ATOM 31 CE LYS A 423 -11.271 -6.396 -22.023 1.00 0.00 C ATOM 32 NZ LYS A 423 -10.498 -7.397 -22.802 1.00 0.00 N ATOM 0 H LYS A 423 -13.008 -3.376 -20.664 1.00 0.00 H new ATOM 0 HA LYS A 423 -13.665 -5.715 -22.124 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -14.102 -5.065 -19.186 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -14.080 -6.667 -19.896 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -11.700 -4.785 -19.966 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.967 -5.950 -18.684 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.509 -7.078 -20.137 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -12.077 -7.738 -20.556 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.241 -6.241 -22.495 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -10.749 -5.439 -22.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -10.383 -7.062 -23.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -9.562 -7.527 -22.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -11.008 -8.304 -22.805 1.00 0.00 H new ATOM 46 N ALA A 424 -16.123 -5.888 -22.273 1.00 0.00 N ATOM 47 CA ALA A 424 -17.557 -5.899 -22.529 1.00 0.00 C ATOM 48 C ALA A 424 -18.310 -6.779 -21.531 1.00 0.00 C ATOM 49 O ALA A 424 -19.209 -7.534 -21.912 1.00 0.00 O ATOM 50 CB ALA A 424 -17.823 -6.360 -23.954 1.00 0.00 C ATOM 0 H ALA A 424 -15.602 -6.607 -22.775 1.00 0.00 H new ATOM 0 HA ALA A 424 -17.927 -4.882 -22.403 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -18.897 -6.366 -24.140 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -17.338 -5.679 -24.653 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -17.425 -7.365 -24.091 1.00 0.00 H new ATOM 56 N SER A 425 -17.983 -6.645 -20.253 1.00 0.00 N ATOM 57 CA SER A 425 -18.691 -7.370 -19.210 1.00 0.00 C ATOM 58 C SER A 425 -20.035 -6.695 -18.931 1.00 0.00 C ATOM 59 O SER A 425 -20.089 -5.502 -18.623 1.00 0.00 O ATOM 60 CB SER A 425 -17.838 -7.431 -17.942 1.00 0.00 C ATOM 61 OG SER A 425 -16.564 -7.995 -18.217 1.00 0.00 O ATOM 0 H SER A 425 -17.233 -6.042 -19.915 1.00 0.00 H new ATOM 0 HA SER A 425 -18.879 -8.390 -19.544 1.00 0.00 H new ATOM 0 HB2 SER A 425 -17.716 -6.428 -17.532 1.00 0.00 H new ATOM 0 HB3 SER A 425 -18.348 -8.025 -17.184 1.00 0.00 H new ATOM 0 HG SER A 425 -16.034 -8.023 -17.393 1.00 0.00 H new ATOM 67 N LYS A 426 -21.115 -7.416 -19.193 1.00 0.00 N ATOM 68 CA LYS A 426 -22.453 -6.843 -19.118 1.00 0.00 C ATOM 69 C LYS A 426 -22.919 -6.679 -17.674 1.00 0.00 C ATOM 70 O LYS A 426 -23.470 -5.640 -17.308 1.00 0.00 O ATOM 71 CB LYS A 426 -23.444 -7.719 -19.883 1.00 0.00 C ATOM 72 CG LYS A 426 -24.783 -7.043 -20.114 1.00 0.00 C ATOM 73 CD LYS A 426 -25.753 -7.958 -20.839 1.00 0.00 C ATOM 74 CE LYS A 426 -26.981 -7.195 -21.308 1.00 0.00 C ATOM 75 NZ LYS A 426 -26.633 -6.134 -22.287 1.00 0.00 N ATOM 0 H LYS A 426 -21.092 -8.400 -19.460 1.00 0.00 H new ATOM 0 HA LYS A 426 -22.412 -5.853 -19.572 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -23.011 -7.992 -20.845 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -23.602 -8.645 -19.331 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -25.210 -6.744 -19.157 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -24.636 -6.133 -20.696 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -25.256 -8.414 -21.695 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -26.056 -8.769 -20.177 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -27.689 -7.889 -21.761 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -27.480 -6.747 -20.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -27.472 -5.895 -22.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -26.304 -5.288 -21.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -25.878 -6.476 -22.916 1.00 0.00 H new ATOM 89 N SER A 427 -22.738 -7.717 -16.870 1.00 0.00 N ATOM 90 CA SER A 427 -23.187 -7.702 -15.483 1.00 0.00 C ATOM 91 C SER A 427 -22.173 -7.004 -14.581 1.00 0.00 C ATOM 92 O SER A 427 -21.792 -7.533 -13.537 1.00 0.00 O ATOM 93 CB SER A 427 -23.430 -9.133 -14.996 1.00 0.00 C ATOM 94 OG SER A 427 -24.330 -9.816 -15.854 1.00 0.00 O ATOM 0 H SER A 427 -22.282 -8.584 -17.155 1.00 0.00 H new ATOM 0 HA SER A 427 -24.121 -7.142 -15.435 1.00 0.00 H new ATOM 0 HB2 SER A 427 -22.484 -9.672 -14.953 1.00 0.00 H new ATOM 0 HB3 SER A 427 -23.832 -9.113 -13.983 1.00 0.00 H new ATOM 0 HG SER A 427 -24.468 -10.728 -15.524 1.00 0.00 H new ATOM 100 N GLY A 428 -21.741 -5.820 -14.991 1.00 0.00 N ATOM 101 CA GLY A 428 -20.770 -5.072 -14.224 1.00 0.00 C ATOM 102 C GLY A 428 -19.365 -5.617 -14.375 1.00 0.00 C ATOM 103 O GLY A 428 -19.137 -6.821 -14.265 1.00 0.00 O ATOM 0 H GLY A 428 -22.050 -5.362 -15.849 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -20.787 -4.029 -14.541 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -21.052 -5.090 -13.171 1.00 0.00 H new ATOM 107 N VAL A 429 -18.412 -4.731 -14.598 1.00 0.00 N ATOM 108 CA VAL A 429 -17.022 -5.137 -14.717 1.00 0.00 C ATOM 109 C VAL A 429 -16.400 -5.343 -13.340 1.00 0.00 C ATOM 110 O VAL A 429 -16.478 -4.471 -12.472 1.00 0.00 O ATOM 111 CB VAL A 429 -16.186 -4.119 -15.527 1.00 0.00 C ATOM 112 CG1 VAL A 429 -16.578 -4.160 -16.995 1.00 0.00 C ATOM 113 CG2 VAL A 429 -16.344 -2.708 -14.976 1.00 0.00 C ATOM 0 H VAL A 429 -18.573 -3.729 -14.700 1.00 0.00 H new ATOM 0 HA VAL A 429 -17.012 -6.082 -15.260 1.00 0.00 H new ATOM 0 HB VAL A 429 -15.137 -4.399 -15.434 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -15.981 -3.438 -17.551 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -16.400 -5.160 -17.391 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -17.635 -3.912 -17.097 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -15.744 -2.017 -15.568 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -17.392 -2.413 -15.026 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -16.010 -2.683 -13.939 1.00 0.00 H new ATOM 123 N PRO A 430 -15.791 -6.516 -13.113 1.00 0.00 N ATOM 124 CA PRO A 430 -15.129 -6.846 -11.851 1.00 0.00 C ATOM 125 C PRO A 430 -13.785 -6.131 -11.720 1.00 0.00 C ATOM 126 O PRO A 430 -12.748 -6.756 -11.482 1.00 0.00 O ATOM 127 CB PRO A 430 -14.925 -8.370 -11.924 1.00 0.00 C ATOM 128 CG PRO A 430 -15.615 -8.817 -13.175 1.00 0.00 C ATOM 129 CD PRO A 430 -15.680 -7.615 -14.072 1.00 0.00 C ATOM 0 HA PRO A 430 -15.716 -6.535 -10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -13.865 -8.621 -11.952 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -15.347 -8.863 -11.048 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -15.067 -9.629 -13.652 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -16.614 -9.193 -12.955 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -14.790 -7.523 -14.694 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -16.537 -7.656 -14.745 1.00 0.00 H new ATOM 137 N VAL A 431 -13.801 -4.828 -11.960 1.00 0.00 N ATOM 138 CA VAL A 431 -12.595 -4.014 -11.974 1.00 0.00 C ATOM 139 C VAL A 431 -12.149 -3.650 -10.547 1.00 0.00 C ATOM 140 O VAL A 431 -11.621 -2.567 -10.290 1.00 0.00 O ATOM 141 CB VAL A 431 -12.821 -2.743 -12.833 1.00 0.00 C ATOM 142 CG1 VAL A 431 -13.806 -1.788 -12.171 1.00 0.00 C ATOM 143 CG2 VAL A 431 -11.506 -2.049 -13.158 1.00 0.00 C ATOM 0 H VAL A 431 -14.655 -4.304 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 431 -11.791 -4.597 -12.424 1.00 0.00 H new ATOM 0 HB VAL A 431 -13.263 -3.063 -13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -13.940 -0.909 -12.801 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -14.765 -2.289 -12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -13.419 -1.482 -11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -11.702 -1.162 -13.761 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -11.011 -1.756 -12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -10.862 -2.731 -13.714 1.00 0.00 H new ATOM 153 N THR A 432 -12.277 -4.603 -9.639 1.00 0.00 N ATOM 154 CA THR A 432 -11.835 -4.418 -8.263 1.00 0.00 C ATOM 155 C THR A 432 -10.318 -4.582 -8.156 1.00 0.00 C ATOM 156 O THR A 432 -9.824 -5.405 -7.389 1.00 0.00 O ATOM 157 CB THR A 432 -12.527 -5.423 -7.326 1.00 0.00 C ATOM 158 OG1 THR A 432 -13.866 -5.665 -7.778 1.00 0.00 O ATOM 159 CG2 THR A 432 -12.568 -4.898 -5.898 1.00 0.00 C ATOM 0 H THR A 432 -12.685 -5.518 -9.830 1.00 0.00 H new ATOM 0 HA THR A 432 -12.107 -3.407 -7.961 1.00 0.00 H new ATOM 0 HB THR A 432 -11.955 -6.351 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 432 -14.302 -6.307 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 432 -13.062 -5.627 -5.256 1.00 0.00 H new ATOM 0 HG22 THR A 432 -11.551 -4.732 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 432 -13.120 -3.958 -5.871 1.00 0.00 H new ATOM 167 N GLN A 433 -9.592 -3.833 -8.978 1.00 0.00 N ATOM 168 CA GLN A 433 -8.133 -3.900 -9.018 1.00 0.00 C ATOM 169 C GLN A 433 -7.557 -2.547 -9.419 1.00 0.00 C ATOM 170 O GLN A 433 -6.458 -2.463 -9.965 1.00 0.00 O ATOM 171 CB GLN A 433 -7.667 -4.972 -10.012 1.00 0.00 C ATOM 172 CG GLN A 433 -7.791 -6.398 -9.498 1.00 0.00 C ATOM 173 CD GLN A 433 -7.492 -7.431 -10.566 1.00 0.00 C ATOM 174 OE1 GLN A 433 -8.229 -7.561 -11.545 1.00 0.00 O ATOM 175 NE2 GLN A 433 -6.408 -8.170 -10.392 1.00 0.00 N ATOM 0 H GLN A 433 -9.995 -3.164 -9.634 1.00 0.00 H new ATOM 0 HA GLN A 433 -7.776 -4.165 -8.023 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -8.248 -4.877 -10.930 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -6.626 -4.781 -10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -7.108 -6.539 -8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -8.800 -6.556 -9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -5.823 -8.032 -9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -6.157 -8.878 -11.082 1.00 0.00 H new ATOM 184 N THR A 434 -8.312 -1.493 -9.149 1.00 0.00 N ATOM 185 CA THR A 434 -7.889 -0.142 -9.482 1.00 0.00 C ATOM 186 C THR A 434 -6.979 0.425 -8.398 1.00 0.00 C ATOM 187 O THR A 434 -7.236 0.246 -7.204 1.00 0.00 O ATOM 188 CB THR A 434 -9.103 0.784 -9.660 1.00 0.00 C ATOM 189 OG1 THR A 434 -10.094 0.138 -10.471 1.00 0.00 O ATOM 190 CG2 THR A 434 -8.697 2.099 -10.312 1.00 0.00 C ATOM 0 H THR A 434 -9.225 -1.548 -8.698 1.00 0.00 H new ATOM 0 HA THR A 434 -7.338 -0.194 -10.421 1.00 0.00 H new ATOM 0 HB THR A 434 -9.514 0.997 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 434 -10.866 0.732 -10.580 1.00 0.00 H new ATOM 0 HG21 THR A 434 -9.575 2.735 -10.426 1.00 0.00 H new ATOM 0 HG22 THR A 434 -7.962 2.604 -9.685 1.00 0.00 H new ATOM 0 HG23 THR A 434 -8.263 1.900 -11.292 1.00 0.00 H new ATOM 198 N GLN A 435 -5.897 1.067 -8.813 1.00 0.00 N ATOM 199 CA GLN A 435 -4.956 1.656 -7.876 1.00 0.00 C ATOM 200 C GLN A 435 -5.518 2.958 -7.309 1.00 0.00 C ATOM 201 O GLN A 435 -5.977 3.822 -8.063 1.00 0.00 O ATOM 202 CB GLN A 435 -3.614 1.914 -8.563 1.00 0.00 C ATOM 203 CG GLN A 435 -2.505 2.302 -7.602 1.00 0.00 C ATOM 204 CD GLN A 435 -1.224 2.681 -8.314 1.00 0.00 C ATOM 205 OE1 GLN A 435 -0.674 1.900 -9.090 1.00 0.00 O ATOM 206 NE2 GLN A 435 -0.732 3.877 -8.038 1.00 0.00 N ATOM 0 H GLN A 435 -5.650 1.193 -9.795 1.00 0.00 H new ATOM 0 HA GLN A 435 -4.799 0.957 -7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -3.315 1.018 -9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -3.739 2.707 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -2.837 3.140 -6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -2.308 1.470 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -1.222 4.492 -7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 435 0.137 4.184 -8.475 1.00 0.00 H new ATOM 215 N THR A 436 -5.483 3.076 -5.981 1.00 0.00 N ATOM 216 CA THR A 436 -5.969 4.260 -5.262 1.00 0.00 C ATOM 217 C THR A 436 -7.500 4.359 -5.279 1.00 0.00 C ATOM 218 O THR A 436 -8.139 4.352 -4.225 1.00 0.00 O ATOM 219 CB THR A 436 -5.365 5.563 -5.831 1.00 0.00 C ATOM 220 OG1 THR A 436 -3.937 5.449 -5.918 1.00 0.00 O ATOM 221 CG2 THR A 436 -5.725 6.755 -4.955 1.00 0.00 C ATOM 0 H THR A 436 -5.115 2.349 -5.368 1.00 0.00 H new ATOM 0 HA THR A 436 -5.641 4.139 -4.229 1.00 0.00 H new ATOM 0 HB THR A 436 -5.779 5.721 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.564 6.279 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 436 -5.289 7.661 -5.376 1.00 0.00 H new ATOM 0 HG22 THR A 436 -6.809 6.861 -4.912 1.00 0.00 H new ATOM 0 HG23 THR A 436 -5.336 6.598 -3.949 1.00 0.00 H new ATOM 229 N ALA A 437 -8.084 4.427 -6.469 1.00 0.00 N ATOM 230 CA ALA A 437 -9.532 4.510 -6.607 1.00 0.00 C ATOM 231 C ALA A 437 -10.183 3.172 -6.284 1.00 0.00 C ATOM 232 O ALA A 437 -10.100 2.225 -7.069 1.00 0.00 O ATOM 233 CB ALA A 437 -9.907 4.957 -8.012 1.00 0.00 C ATOM 0 H ALA A 437 -7.576 4.426 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 437 -9.901 5.250 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -10.992 5.014 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -9.475 5.938 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -9.523 4.239 -8.737 1.00 0.00 H new ATOM 239 N GLY A 438 -10.793 3.091 -5.108 1.00 0.00 N ATOM 240 CA GLY A 438 -11.390 1.848 -4.663 1.00 0.00 C ATOM 241 C GLY A 438 -10.336 0.808 -4.352 1.00 0.00 C ATOM 242 O GLY A 438 -10.440 -0.343 -4.784 1.00 0.00 O ATOM 0 H GLY A 438 -10.885 3.867 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -11.995 2.031 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -12.061 1.469 -5.434 1.00 0.00 H new ATOM 246 N ALA A 439 -9.305 1.223 -3.620 1.00 0.00 N ATOM 247 CA ALA A 439 -8.182 0.352 -3.283 1.00 0.00 C ATOM 248 C ALA A 439 -8.537 -0.652 -2.183 1.00 0.00 C ATOM 249 O ALA A 439 -7.701 -0.988 -1.341 1.00 0.00 O ATOM 250 CB ALA A 439 -6.980 1.188 -2.868 1.00 0.00 C ATOM 0 H ALA A 439 -9.224 2.168 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 439 -7.935 -0.223 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -6.148 0.530 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -6.691 1.843 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -7.239 1.791 -1.998 1.00 0.00 H new ATOM 256 N ASP A 440 -9.737 -1.213 -2.269 1.00 0.00 N ATOM 257 CA ASP A 440 -10.165 -2.264 -1.349 1.00 0.00 C ATOM 258 C ASP A 440 -9.435 -3.560 -1.655 1.00 0.00 C ATOM 259 O ASP A 440 -9.152 -4.357 -0.766 1.00 0.00 O ATOM 260 CB ASP A 440 -11.677 -2.484 -1.431 1.00 0.00 C ATOM 261 CG ASP A 440 -12.462 -1.424 -0.687 1.00 0.00 C ATOM 262 OD1 ASP A 440 -12.293 -1.304 0.542 1.00 0.00 O ATOM 263 OD2 ASP A 440 -13.261 -0.705 -1.326 1.00 0.00 O ATOM 0 H ASP A 440 -10.434 -0.958 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 440 -9.919 -1.946 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -11.983 -2.490 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -11.920 -3.465 -1.022 1.00 0.00 H new ATOM 268 N THR A 441 -9.098 -3.735 -2.923 1.00 0.00 N ATOM 269 CA THR A 441 -8.330 -4.889 -3.368 1.00 0.00 C ATOM 270 C THR A 441 -6.937 -4.885 -2.738 1.00 0.00 C ATOM 271 O THR A 441 -6.383 -5.935 -2.401 1.00 0.00 O ATOM 272 CB THR A 441 -8.207 -4.909 -4.912 1.00 0.00 C ATOM 273 OG1 THR A 441 -7.214 -5.855 -5.330 1.00 0.00 O ATOM 274 CG2 THR A 441 -7.857 -3.531 -5.458 1.00 0.00 C ATOM 0 H THR A 441 -9.347 -3.086 -3.669 1.00 0.00 H new ATOM 0 HA THR A 441 -8.861 -5.786 -3.048 1.00 0.00 H new ATOM 0 HB THR A 441 -9.177 -5.206 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 441 -7.152 -5.854 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 441 -7.778 -3.579 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 441 -8.637 -2.821 -5.182 1.00 0.00 H new ATOM 0 HG23 THR A 441 -6.905 -3.205 -5.039 1.00 0.00 H new ATOM 282 N THR A 442 -6.370 -3.695 -2.606 1.00 0.00 N ATOM 283 CA THR A 442 -5.041 -3.536 -2.062 1.00 0.00 C ATOM 284 C THR A 442 -5.038 -3.709 -0.547 1.00 0.00 C ATOM 285 O THR A 442 -5.688 -2.956 0.178 1.00 0.00 O ATOM 286 CB THR A 442 -4.492 -2.146 -2.426 1.00 0.00 C ATOM 287 OG1 THR A 442 -4.630 -1.933 -3.838 1.00 0.00 O ATOM 288 CG2 THR A 442 -3.031 -2.005 -2.026 1.00 0.00 C ATOM 0 H THR A 442 -6.820 -2.820 -2.873 1.00 0.00 H new ATOM 0 HA THR A 442 -4.404 -4.308 -2.494 1.00 0.00 H new ATOM 0 HB THR A 442 -5.065 -1.398 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 442 -4.282 -1.047 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.674 -1.012 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.933 -2.144 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.437 -2.758 -2.545 1.00 0.00 H new ATOM 296 N ALA A 443 -4.211 -4.625 -0.073 1.00 0.00 N ATOM 297 CA ALA A 443 -3.982 -4.783 1.346 1.00 0.00 C ATOM 298 C ALA A 443 -2.850 -3.868 1.764 1.00 0.00 C ATOM 299 O ALA A 443 -1.687 -4.267 1.719 1.00 0.00 O ATOM 300 CB ALA A 443 -3.636 -6.223 1.678 1.00 0.00 C ATOM 0 H ALA A 443 -3.685 -5.274 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.891 -4.521 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -3.468 -6.319 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -4.459 -6.873 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -2.732 -6.513 1.142 1.00 0.00 H new ATOM 306 N GLU A 444 -3.155 -2.589 1.917 1.00 0.00 N ATOM 307 CA GLU A 444 -2.107 -1.609 2.096 1.00 0.00 C ATOM 308 C GLU A 444 -1.349 -1.849 3.401 1.00 0.00 C ATOM 309 O GLU A 444 -1.927 -1.922 4.489 1.00 0.00 O ATOM 310 CB GLU A 444 -2.662 -0.179 2.019 1.00 0.00 C ATOM 311 CG GLU A 444 -3.344 0.309 3.284 1.00 0.00 C ATOM 312 CD GLU A 444 -4.004 1.659 3.104 1.00 0.00 C ATOM 313 OE1 GLU A 444 -3.351 2.582 2.572 1.00 0.00 O ATOM 314 OE2 GLU A 444 -5.173 1.812 3.514 1.00 0.00 O ATOM 0 H GLU A 444 -4.104 -2.214 1.920 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.397 -1.725 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -1.844 0.500 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -3.374 -0.125 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -4.093 -0.420 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -2.610 0.371 4.087 1.00 0.00 H new ATOM 321 N LYS A 445 -0.061 -2.066 3.247 1.00 0.00 N ATOM 322 CA LYS A 445 0.839 -2.328 4.352 1.00 0.00 C ATOM 323 C LYS A 445 2.195 -1.727 4.011 1.00 0.00 C ATOM 324 O LYS A 445 2.814 -1.040 4.823 1.00 0.00 O ATOM 325 CB LYS A 445 0.966 -3.834 4.596 1.00 0.00 C ATOM 326 CG LYS A 445 1.909 -4.185 5.732 1.00 0.00 C ATOM 327 CD LYS A 445 2.096 -5.691 5.866 1.00 0.00 C ATOM 328 CE LYS A 445 0.774 -6.409 6.106 1.00 0.00 C ATOM 329 NZ LYS A 445 0.105 -5.957 7.357 1.00 0.00 N ATOM 0 H LYS A 445 0.399 -2.066 2.337 1.00 0.00 H new ATOM 0 HA LYS A 445 0.450 -1.878 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 445 -0.021 -4.243 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.316 -4.314 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 445 2.876 -3.712 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 445 1.518 -3.782 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 445 2.562 -6.081 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 445 2.778 -5.900 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 445 0.110 -6.236 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 445 0.951 -7.483 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -0.717 -6.564 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 0.775 -6.019 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.210 -4.972 7.246 1.00 0.00 H new ATOM 343 N CYS A 446 2.558 -1.863 2.744 1.00 0.00 N ATOM 344 CA CYS A 446 3.739 -1.213 2.203 1.00 0.00 C ATOM 345 C CYS A 446 3.486 0.287 2.088 1.00 0.00 C ATOM 346 O CYS A 446 4.392 1.104 2.259 1.00 0.00 O ATOM 347 CB CYS A 446 4.075 -1.798 0.828 1.00 0.00 C ATOM 348 SG CYS A 446 4.212 -3.616 0.803 1.00 0.00 S ATOM 0 H CYS A 446 2.044 -2.425 2.066 1.00 0.00 H new ATOM 0 HA CYS A 446 4.583 -1.384 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.306 -1.493 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.016 -1.369 0.483 1.00 0.00 H new ATOM 353 N LYS A 447 2.234 0.629 1.800 1.00 0.00 N ATOM 354 CA LYS A 447 1.809 2.015 1.651 1.00 0.00 C ATOM 355 C LYS A 447 2.203 2.849 2.868 1.00 0.00 C ATOM 356 O LYS A 447 1.873 2.503 4.003 1.00 0.00 O ATOM 357 CB LYS A 447 0.288 2.066 1.464 1.00 0.00 C ATOM 358 CG LYS A 447 -0.270 3.471 1.305 1.00 0.00 C ATOM 359 CD LYS A 447 0.002 4.038 -0.079 1.00 0.00 C ATOM 360 CE LYS A 447 -0.762 3.275 -1.147 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.618 3.897 -2.487 1.00 0.00 N ATOM 0 H LYS A 447 1.485 -0.049 1.663 1.00 0.00 H new ATOM 0 HA LYS A 447 2.307 2.433 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.021 1.479 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.189 1.592 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.345 3.457 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.172 4.124 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.283 5.090 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.070 3.992 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.403 2.247 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.818 3.234 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.155 3.345 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.984 4.870 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.386 3.913 -2.756 1.00 0.00 H new ATOM 375 N GLY A 448 2.862 3.973 2.620 1.00 0.00 N ATOM 376 CA GLY A 448 3.231 4.869 3.697 1.00 0.00 C ATOM 377 C GLY A 448 4.681 4.724 4.119 1.00 0.00 C ATOM 378 O GLY A 448 5.236 5.622 4.756 1.00 0.00 O ATOM 0 H GLY A 448 3.148 4.280 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.051 5.897 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.588 4.680 4.556 1.00 0.00 H new ATOM 382 N LYS A 449 5.273 3.571 3.839 1.00 0.00 N ATOM 383 CA LYS A 449 6.640 3.294 4.257 1.00 0.00 C ATOM 384 C LYS A 449 7.654 4.109 3.472 1.00 0.00 C ATOM 385 O LYS A 449 7.624 4.142 2.239 1.00 0.00 O ATOM 386 CB LYS A 449 6.960 1.815 4.088 1.00 0.00 C ATOM 387 CG LYS A 449 6.165 0.910 4.999 1.00 0.00 C ATOM 388 CD LYS A 449 6.606 -0.529 4.842 1.00 0.00 C ATOM 389 CE LYS A 449 6.000 -1.406 5.914 1.00 0.00 C ATOM 390 NZ LYS A 449 6.283 -0.885 7.278 1.00 0.00 N ATOM 0 H LYS A 449 4.827 2.812 3.324 1.00 0.00 H new ATOM 0 HA LYS A 449 6.710 3.575 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.772 1.528 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 449 8.023 1.659 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 449 6.294 1.224 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 449 5.103 0.997 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.313 -0.897 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 449 7.693 -0.587 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 449 4.922 -1.470 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 449 6.395 -2.418 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 6.180 -1.653 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 7.254 -0.515 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.613 -0.122 7.504 1.00 0.00 H new ATOM 404 N GLY A 450 8.638 4.631 4.187 1.00 0.00 N ATOM 405 CA GLY A 450 9.765 5.261 3.540 1.00 0.00 C ATOM 406 C GLY A 450 10.694 4.219 2.951 1.00 0.00 C ATOM 407 O GLY A 450 10.460 3.019 3.108 1.00 0.00 O ATOM 0 H GLY A 450 8.675 4.629 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.413 5.928 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.308 5.875 4.259 1.00 0.00 H new ATOM 411 N GLU A 451 11.738 4.657 2.269 1.00 0.00 N ATOM 412 CA GLU A 451 12.670 3.730 1.637 1.00 0.00 C ATOM 413 C GLU A 451 13.382 2.885 2.695 1.00 0.00 C ATOM 414 O GLU A 451 13.464 1.663 2.573 1.00 0.00 O ATOM 415 CB GLU A 451 13.678 4.502 0.786 1.00 0.00 C ATOM 416 CG GLU A 451 14.291 3.694 -0.350 1.00 0.00 C ATOM 417 CD GLU A 451 15.258 2.625 0.114 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.271 2.971 0.758 1.00 0.00 O ATOM 419 OE2 GLU A 451 15.020 1.436 -0.175 1.00 0.00 O ATOM 0 H GLU A 451 11.964 5.643 2.137 1.00 0.00 H new ATOM 0 HA GLU A 451 12.113 3.056 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.185 5.379 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.478 4.864 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 451 13.491 3.224 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.811 4.372 -1.027 1.00 0.00 H new ATOM 426 N LYS A 452 13.808 3.534 3.775 1.00 0.00 N ATOM 427 CA LYS A 452 14.470 2.857 4.887 1.00 0.00 C ATOM 428 C LYS A 452 13.449 2.232 5.833 1.00 0.00 C ATOM 429 O LYS A 452 13.648 2.180 7.048 1.00 0.00 O ATOM 430 CB LYS A 452 15.373 3.837 5.649 1.00 0.00 C ATOM 431 CG LYS A 452 16.678 4.159 4.931 1.00 0.00 C ATOM 432 CD LYS A 452 16.447 4.887 3.619 1.00 0.00 C ATOM 433 CE LYS A 452 17.727 5.021 2.815 1.00 0.00 C ATOM 434 NZ LYS A 452 17.445 5.336 1.390 1.00 0.00 N ATOM 0 H LYS A 452 13.705 4.540 3.904 1.00 0.00 H new ATOM 0 HA LYS A 452 15.087 2.057 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 452 14.825 4.764 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.602 3.418 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 452 17.305 4.771 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 452 17.223 3.235 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.703 4.349 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 452 16.039 5.877 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 452 18.348 5.806 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 452 18.296 4.094 2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 18.322 5.254 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 16.738 4.669 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 17.078 6.306 1.315 1.00 0.00 H new ATOM 448 N ASP A 453 12.386 1.706 5.252 1.00 0.00 N ATOM 449 CA ASP A 453 11.340 1.016 5.997 1.00 0.00 C ATOM 450 C ASP A 453 10.681 0.000 5.080 1.00 0.00 C ATOM 451 O ASP A 453 10.451 -1.146 5.462 1.00 0.00 O ATOM 452 CB ASP A 453 10.295 2.009 6.514 1.00 0.00 C ATOM 453 CG ASP A 453 9.349 1.397 7.537 1.00 0.00 C ATOM 454 OD1 ASP A 453 8.642 0.421 7.211 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.305 1.904 8.678 1.00 0.00 O ATOM 0 H ASP A 453 12.220 1.744 4.246 1.00 0.00 H new ATOM 0 HA ASP A 453 11.782 0.514 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 453 10.803 2.863 6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.715 2.389 5.673 1.00 0.00 H new ATOM 460 N CYS A 454 10.457 0.425 3.840 1.00 0.00 N ATOM 461 CA CYS A 454 9.915 -0.429 2.796 1.00 0.00 C ATOM 462 C CYS A 454 10.763 -1.688 2.643 1.00 0.00 C ATOM 463 O CYS A 454 11.892 -1.635 2.141 1.00 0.00 O ATOM 464 CB CYS A 454 9.889 0.336 1.466 1.00 0.00 C ATOM 465 SG CYS A 454 9.024 -0.530 0.117 1.00 0.00 S ATOM 0 H CYS A 454 10.649 1.378 3.533 1.00 0.00 H new ATOM 0 HA CYS A 454 8.901 -0.719 3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.411 1.303 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 454 10.915 0.535 1.155 1.00 0.00 H new ATOM 470 N LYS A 455 10.213 -2.816 3.074 1.00 0.00 N ATOM 471 CA LYS A 455 10.899 -4.092 2.957 1.00 0.00 C ATOM 472 C LYS A 455 10.944 -4.529 1.504 1.00 0.00 C ATOM 473 O LYS A 455 9.916 -4.594 0.840 1.00 0.00 O ATOM 474 CB LYS A 455 10.195 -5.164 3.797 1.00 0.00 C ATOM 475 CG LYS A 455 10.916 -5.531 5.089 1.00 0.00 C ATOM 476 CD LYS A 455 10.998 -4.360 6.054 1.00 0.00 C ATOM 477 CE LYS A 455 12.370 -3.711 6.041 1.00 0.00 C ATOM 478 NZ LYS A 455 13.427 -4.640 6.523 1.00 0.00 N ATOM 0 H LYS A 455 9.292 -2.871 3.508 1.00 0.00 H new ATOM 0 HA LYS A 455 11.916 -3.969 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 455 9.192 -4.814 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 455 10.080 -6.063 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 455 10.397 -6.360 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 455 11.923 -5.878 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 455 10.243 -3.619 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 455 10.769 -4.704 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 455 12.608 -3.384 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 455 12.356 -2.820 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 14.211 -4.092 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 13.031 -5.270 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 13.779 -5.209 5.727 1.00 0.00 H new ATOM 492 N SER A 456 12.133 -4.836 1.019 1.00 0.00 N ATOM 493 CA SER A 456 12.301 -5.284 -0.355 1.00 0.00 C ATOM 494 C SER A 456 11.666 -6.663 -0.588 1.00 0.00 C ATOM 495 O SER A 456 10.950 -6.843 -1.566 1.00 0.00 O ATOM 496 CB SER A 456 13.783 -5.287 -0.728 1.00 0.00 C ATOM 497 OG SER A 456 14.362 -4.012 -0.487 1.00 0.00 O ATOM 0 H SER A 456 12.999 -4.784 1.555 1.00 0.00 H new ATOM 0 HA SER A 456 11.778 -4.582 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.308 -6.046 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.899 -5.552 -1.779 1.00 0.00 H new ATOM 0 HG SER A 456 15.311 -4.033 -0.730 1.00 0.00 H new ATOM 503 N PRO A 457 11.895 -7.668 0.288 1.00 0.00 N ATOM 504 CA PRO A 457 11.271 -8.982 0.115 1.00 0.00 C ATOM 505 C PRO A 457 9.743 -8.898 0.178 1.00 0.00 C ATOM 506 O PRO A 457 9.039 -9.624 -0.528 1.00 0.00 O ATOM 507 CB PRO A 457 11.814 -9.811 1.284 1.00 0.00 C ATOM 508 CG PRO A 457 12.285 -8.815 2.284 1.00 0.00 C ATOM 509 CD PRO A 457 12.739 -7.620 1.499 1.00 0.00 C ATOM 0 HA PRO A 457 11.500 -9.416 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.040 -10.454 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.628 -10.460 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 457 11.485 -8.547 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.100 -9.220 2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 457 12.592 -6.694 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 457 13.799 -7.679 1.253 1.00 0.00 H new ATOM 517 N ASP A 458 9.244 -8.017 1.038 1.00 0.00 N ATOM 518 CA ASP A 458 7.810 -7.840 1.227 1.00 0.00 C ATOM 519 C ASP A 458 7.186 -6.987 0.129 1.00 0.00 C ATOM 520 O ASP A 458 6.025 -7.185 -0.231 1.00 0.00 O ATOM 521 CB ASP A 458 7.533 -7.183 2.581 1.00 0.00 C ATOM 522 CG ASP A 458 7.504 -8.167 3.729 1.00 0.00 C ATOM 523 OD1 ASP A 458 6.679 -9.105 3.696 1.00 0.00 O ATOM 524 OD2 ASP A 458 8.297 -8.002 4.680 1.00 0.00 O ATOM 0 H ASP A 458 9.819 -7.409 1.621 1.00 0.00 H new ATOM 0 HA ASP A 458 7.360 -8.832 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.298 -6.431 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.577 -6.661 2.535 1.00 0.00 H new ATOM 529 N CYS A 459 7.892 -5.941 -0.282 1.00 0.00 N ATOM 530 CA CYS A 459 7.324 -4.949 -1.186 1.00 0.00 C ATOM 531 C CYS A 459 8.291 -4.628 -2.321 1.00 0.00 C ATOM 532 O CYS A 459 9.086 -5.473 -2.727 1.00 0.00 O ATOM 533 CB CYS A 459 7.005 -3.675 -0.395 1.00 0.00 C ATOM 534 SG CYS A 459 6.170 -3.965 1.204 1.00 0.00 S ATOM 0 H CYS A 459 8.856 -5.758 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 459 6.411 -5.353 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.933 -3.134 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.375 -3.030 -1.008 1.00 0.00 H new ATOM 539 N LYS A 460 8.242 -3.399 -2.800 1.00 0.00 N ATOM 540 CA LYS A 460 9.159 -2.929 -3.832 1.00 0.00 C ATOM 541 C LYS A 460 9.065 -1.416 -3.953 1.00 0.00 C ATOM 542 O LYS A 460 8.035 -0.826 -3.636 1.00 0.00 O ATOM 543 CB LYS A 460 8.875 -3.587 -5.187 1.00 0.00 C ATOM 544 CG LYS A 460 7.533 -3.215 -5.790 1.00 0.00 C ATOM 545 CD LYS A 460 7.421 -3.709 -7.220 1.00 0.00 C ATOM 546 CE LYS A 460 7.371 -5.227 -7.289 1.00 0.00 C ATOM 547 NZ LYS A 460 6.131 -5.770 -6.679 1.00 0.00 N ATOM 0 H LYS A 460 7.570 -2.698 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 460 10.170 -3.210 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 460 9.664 -3.309 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 460 8.920 -4.670 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.730 -3.643 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.407 -2.133 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 460 6.524 -3.294 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.271 -3.346 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 460 7.433 -5.545 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 460 8.239 -5.642 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 6.019 -6.768 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 6.193 -5.698 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 5.311 -5.225 -7.015 1.00 0.00 H new ATOM 561 N TRP A 461 10.164 -0.786 -4.317 1.00 0.00 N ATOM 562 CA TRP A 461 10.215 0.664 -4.389 1.00 0.00 C ATOM 563 C TRP A 461 10.005 1.135 -5.823 1.00 0.00 C ATOM 564 O TRP A 461 10.662 0.648 -6.748 1.00 0.00 O ATOM 565 CB TRP A 461 11.565 1.159 -3.869 1.00 0.00 C ATOM 566 CG TRP A 461 11.572 2.595 -3.445 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.290 3.610 -4.009 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.860 3.174 -2.341 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.068 4.781 -3.327 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.191 4.540 -2.300 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.968 2.676 -1.386 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.672 5.404 -1.338 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.457 3.536 -0.437 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.807 4.886 -0.419 1.00 0.00 C ATOM 0 H TRP A 461 11.035 -1.254 -4.568 1.00 0.00 H new ATOM 0 HA TRP A 461 9.417 1.074 -3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.864 0.541 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.315 1.018 -4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.938 3.507 -4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.487 5.684 -3.548 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.684 1.634 -1.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 10.945 6.449 -1.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.772 3.157 0.307 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.386 5.533 0.336 1.00 0.00 H new ATOM 585 N GLU A 462 9.144 2.124 -5.997 1.00 0.00 N ATOM 586 CA GLU A 462 8.916 2.724 -7.304 1.00 0.00 C ATOM 587 C GLU A 462 8.775 4.230 -7.151 1.00 0.00 C ATOM 588 O GLU A 462 7.954 4.699 -6.364 1.00 0.00 O ATOM 589 CB GLU A 462 7.659 2.137 -7.960 1.00 0.00 C ATOM 590 CG GLU A 462 7.298 2.786 -9.291 1.00 0.00 C ATOM 591 CD GLU A 462 8.304 2.490 -10.384 1.00 0.00 C ATOM 592 OE1 GLU A 462 9.098 1.538 -10.232 1.00 0.00 O ATOM 593 OE2 GLU A 462 8.292 3.197 -11.414 1.00 0.00 O ATOM 0 H GLU A 462 8.588 2.531 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 462 9.768 2.503 -7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 462 7.808 1.069 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 462 6.819 2.245 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 462 6.315 2.436 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 462 7.224 3.865 -9.155 1.00 0.00 H new ATOM 600 N GLY A 463 9.626 4.975 -7.853 1.00 0.00 N ATOM 601 CA GLY A 463 9.631 6.421 -7.739 1.00 0.00 C ATOM 602 C GLY A 463 10.025 6.868 -6.350 1.00 0.00 C ATOM 603 O GLY A 463 11.208 6.913 -6.013 1.00 0.00 O ATOM 0 H GLY A 463 10.316 4.598 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 463 10.324 6.842 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 463 8.641 6.809 -7.980 1.00 0.00 H new ATOM 607 N GLY A 464 9.027 7.067 -5.511 1.00 0.00 N ATOM 608 CA GLY A 464 9.269 7.377 -4.127 1.00 0.00 C ATOM 609 C GLY A 464 8.180 6.813 -3.243 1.00 0.00 C ATOM 610 O GLY A 464 7.799 7.427 -2.249 1.00 0.00 O ATOM 0 H GLY A 464 8.042 7.018 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.234 6.971 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.323 8.458 -3.998 1.00 0.00 H new ATOM 614 N THR A 465 7.679 5.636 -3.606 1.00 0.00 N ATOM 615 CA THR A 465 6.618 4.993 -2.846 1.00 0.00 C ATOM 616 C THR A 465 6.813 3.492 -2.740 1.00 0.00 C ATOM 617 O THR A 465 7.319 2.844 -3.662 1.00 0.00 O ATOM 618 CB THR A 465 5.234 5.270 -3.455 1.00 0.00 C ATOM 619 OG1 THR A 465 5.304 5.271 -4.888 1.00 0.00 O ATOM 620 CG2 THR A 465 4.697 6.593 -2.961 1.00 0.00 C ATOM 0 H THR A 465 7.992 5.110 -4.422 1.00 0.00 H new ATOM 0 HA THR A 465 6.668 5.425 -1.847 1.00 0.00 H new ATOM 0 HB THR A 465 4.557 4.476 -3.141 1.00 0.00 H new ATOM 0 HG1 THR A 465 6.023 4.673 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.717 6.775 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 465 4.608 6.567 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.378 7.393 -3.250 1.00 0.00 H new ATOM 628 N CYS A 466 6.436 2.958 -1.588 1.00 0.00 N ATOM 629 CA CYS A 466 6.540 1.537 -1.327 1.00 0.00 C ATOM 630 C CYS A 466 5.346 0.812 -1.941 1.00 0.00 C ATOM 631 O CYS A 466 4.203 0.992 -1.514 1.00 0.00 O ATOM 632 CB CYS A 466 6.608 1.294 0.181 1.00 0.00 C ATOM 633 SG CYS A 466 7.074 -0.401 0.650 1.00 0.00 S ATOM 0 H CYS A 466 6.051 3.498 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 466 7.451 1.147 -1.781 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.326 1.989 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.636 1.525 0.618 1.00 0.00 H new ATOM 638 N LYS A 467 5.612 0.061 -2.993 1.00 0.00 N ATOM 639 CA LYS A 467 4.577 -0.656 -3.722 1.00 0.00 C ATOM 640 C LYS A 467 4.309 -2.008 -3.078 1.00 0.00 C ATOM 641 O LYS A 467 5.242 -2.718 -2.709 1.00 0.00 O ATOM 642 CB LYS A 467 5.005 -0.858 -5.177 1.00 0.00 C ATOM 643 CG LYS A 467 5.473 0.413 -5.872 1.00 0.00 C ATOM 644 CD LYS A 467 4.322 1.216 -6.464 1.00 0.00 C ATOM 645 CE LYS A 467 3.470 1.883 -5.398 1.00 0.00 C ATOM 646 NZ LYS A 467 2.348 2.650 -5.997 1.00 0.00 N ATOM 0 H LYS A 467 6.551 -0.071 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 467 3.663 -0.064 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 467 5.809 -1.593 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 467 4.168 -1.277 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 467 6.015 1.034 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 467 6.174 0.152 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 467 4.721 1.977 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 467 3.696 0.558 -7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 467 3.074 1.126 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 467 4.090 2.551 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 1.787 3.092 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 2.728 3.388 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 1.743 2.007 -6.547 1.00 0.00 H new ATOM 660 N ASP A 468 3.042 -2.379 -3.001 1.00 0.00 N ATOM 661 CA ASP A 468 2.657 -3.677 -2.472 1.00 0.00 C ATOM 662 C ASP A 468 2.734 -4.735 -3.564 1.00 0.00 C ATOM 663 O ASP A 468 2.448 -4.405 -4.736 1.00 0.00 O ATOM 664 CB ASP A 468 1.242 -3.626 -1.895 1.00 0.00 C ATOM 665 CG ASP A 468 0.197 -3.277 -2.934 1.00 0.00 C ATOM 666 OD1 ASP A 468 0.251 -2.154 -3.486 1.00 0.00 O ATOM 667 OD2 ASP A 468 -0.690 -4.118 -3.199 1.00 0.00 O ATOM 668 OXT ASP A 468 3.091 -5.890 -3.254 1.00 0.00 O ATOM 0 H ASP A 468 2.259 -1.797 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 468 3.350 -3.940 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 468 1.000 -4.592 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 468 1.209 -2.890 -1.091 1.00 0.00 H new TER 673 ASP A 468