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 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+ -168:sc=-0.00664 (180deg=-0.12) USER MOD Single : A 427 SER OG : rot 19:sc= 0.661 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 433 GLN : amide:sc= -0.281 K(o=-0.28,f=-4.4!) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-0.91!,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0427) USER MOD Single : A 447 LYS NZ :NH3+ 168:sc=-0.00878 (180deg=-0.152) USER MOD Single : A 449 LYS NZ :NH3+ 158:sc= 0.954 (180deg=0.325) USER MOD Single : A 452 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0871) USER MOD Single : A 455 LYS NZ :NH3+ -109:sc= 0.927 (180deg=-0.982) USER MOD Single : A 456 SER OG : rot 160:sc= -0.348 USER MOD Single : A 460 LYS NZ :NH3+ -129:sc= 1.24 (180deg=-0.605) USER MOD Single : A 465 THR OG1 : rot 100:sc= -0.93 USER MOD Single : A 467 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -35.290 -6.875 27.750 1.00 0.00 N ATOM 2 CA GLY A 421 -34.071 -7.135 26.949 1.00 0.00 C ATOM 3 C GLY A 421 -34.406 -7.631 25.558 1.00 0.00 C ATOM 4 O GLY A 421 -35.356 -7.158 24.936 1.00 0.00 O ATOM 0 HA2 GLY A 421 -33.482 -6.221 26.877 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -33.452 -7.873 27.459 1.00 0.00 H new ATOM 10 N THR A 422 -33.612 -8.572 25.066 1.00 0.00 N ATOM 11 CA THR A 422 -33.799 -9.125 23.729 1.00 0.00 C ATOM 12 C THR A 422 -34.954 -10.130 23.693 1.00 0.00 C ATOM 13 O THR A 422 -34.777 -11.305 23.365 1.00 0.00 O ATOM 14 CB THR A 422 -32.500 -9.784 23.230 1.00 0.00 C ATOM 15 OG1 THR A 422 -31.397 -8.900 23.486 1.00 0.00 O ATOM 16 CG2 THR A 422 -32.565 -10.083 21.736 1.00 0.00 C ATOM 0 H THR A 422 -32.825 -8.972 25.577 1.00 0.00 H new ATOM 0 HA THR A 422 -34.054 -8.300 23.064 1.00 0.00 H new ATOM 0 HB THR A 422 -32.368 -10.727 23.761 1.00 0.00 H new ATOM 0 HG1 THR A 422 -30.566 -9.314 23.172 1.00 0.00 H new ATOM 0 HG21 THR A 422 -31.632 -10.548 21.417 1.00 0.00 H new ATOM 0 HG22 THR A 422 -33.395 -10.761 21.536 1.00 0.00 H new ATOM 0 HG23 THR A 422 -32.715 -9.154 21.185 1.00 0.00 H new ATOM 24 N LYS A 423 -36.139 -9.654 24.039 1.00 0.00 N ATOM 25 CA LYS A 423 -37.338 -10.478 24.013 1.00 0.00 C ATOM 26 C LYS A 423 -38.384 -9.845 23.101 1.00 0.00 C ATOM 27 O LYS A 423 -39.587 -9.923 23.362 1.00 0.00 O ATOM 28 CB LYS A 423 -37.907 -10.658 25.426 1.00 0.00 C ATOM 29 CG LYS A 423 -37.486 -11.952 26.112 1.00 0.00 C ATOM 30 CD LYS A 423 -35.986 -12.019 26.350 1.00 0.00 C ATOM 31 CE LYS A 423 -35.584 -13.332 27.006 1.00 0.00 C ATOM 32 NZ LYS A 423 -34.120 -13.407 27.249 1.00 0.00 N ATOM 0 H LYS A 423 -36.297 -8.693 24.344 1.00 0.00 H new ATOM 0 HA LYS A 423 -37.073 -11.461 23.625 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -37.592 -9.815 26.042 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -38.995 -10.626 25.374 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -38.007 -12.041 27.065 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -37.793 -12.801 25.501 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -35.461 -11.909 25.401 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -35.679 -11.186 26.983 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -36.115 -13.442 27.952 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -35.889 -14.163 26.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -33.889 -14.317 27.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -33.613 -13.328 26.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -33.832 -12.629 27.876 1.00 0.00 H new ATOM 46 N ALA A 424 -37.904 -9.214 22.035 1.00 0.00 N ATOM 47 CA ALA A 424 -38.767 -8.547 21.066 1.00 0.00 C ATOM 48 C ALA A 424 -37.970 -8.159 19.825 1.00 0.00 C ATOM 49 O ALA A 424 -38.027 -7.011 19.368 1.00 0.00 O ATOM 50 CB ALA A 424 -39.407 -7.313 21.682 1.00 0.00 C ATOM 0 H ALA A 424 -36.909 -9.150 21.818 1.00 0.00 H new ATOM 0 HA ALA A 424 -39.556 -9.240 20.775 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -40.047 -6.829 20.945 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -40.005 -7.606 22.545 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -38.628 -6.619 21.998 1.00 0.00 H new ATOM 56 N SER A 425 -37.207 -9.113 19.301 1.00 0.00 N ATOM 57 CA SER A 425 -36.374 -8.880 18.128 1.00 0.00 C ATOM 58 C SER A 425 -37.216 -8.450 16.928 1.00 0.00 C ATOM 59 O SER A 425 -38.229 -9.077 16.608 1.00 0.00 O ATOM 60 CB SER A 425 -35.589 -10.147 17.784 1.00 0.00 C ATOM 61 OG SER A 425 -34.793 -10.569 18.880 1.00 0.00 O ATOM 0 H SER A 425 -37.149 -10.061 19.674 1.00 0.00 H new ATOM 0 HA SER A 425 -35.679 -8.074 18.362 1.00 0.00 H new ATOM 0 HB2 SER A 425 -36.280 -10.942 17.505 1.00 0.00 H new ATOM 0 HB3 SER A 425 -34.953 -9.960 16.919 1.00 0.00 H new ATOM 0 HG SER A 425 -34.303 -11.381 18.635 1.00 0.00 H new ATOM 67 N LYS A 426 -36.803 -7.365 16.285 1.00 0.00 N ATOM 68 CA LYS A 426 -37.510 -6.845 15.126 1.00 0.00 C ATOM 69 C LYS A 426 -37.406 -7.822 13.961 1.00 0.00 C ATOM 70 O LYS A 426 -38.416 -8.234 13.390 1.00 0.00 O ATOM 71 CB LYS A 426 -36.942 -5.479 14.729 1.00 0.00 C ATOM 72 CG LYS A 426 -37.072 -4.421 15.817 1.00 0.00 C ATOM 73 CD LYS A 426 -36.455 -3.095 15.392 1.00 0.00 C ATOM 74 CE LYS A 426 -34.942 -3.192 15.250 1.00 0.00 C ATOM 75 NZ LYS A 426 -34.269 -3.416 16.556 1.00 0.00 N ATOM 0 H LYS A 426 -35.978 -6.827 16.550 1.00 0.00 H new ATOM 0 HA LYS A 426 -38.562 -6.723 15.383 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -35.889 -5.594 14.471 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -37.454 -5.130 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -38.125 -4.272 16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -36.586 -4.773 16.727 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -36.889 -2.780 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -36.702 -2.328 16.126 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -34.694 -4.008 14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -34.561 -2.275 14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -33.245 -3.274 16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -34.640 -2.743 17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -34.451 -4.388 16.878 1.00 0.00 H new ATOM 89 N SER A 427 -36.173 -8.230 13.662 1.00 0.00 N ATOM 90 CA SER A 427 -35.874 -9.193 12.598 1.00 0.00 C ATOM 91 C SER A 427 -36.603 -8.848 11.298 1.00 0.00 C ATOM 92 O SER A 427 -37.043 -9.733 10.561 1.00 0.00 O ATOM 93 CB SER A 427 -36.197 -10.627 13.050 1.00 0.00 C ATOM 94 OG SER A 427 -37.525 -10.750 13.539 1.00 0.00 O ATOM 0 H SER A 427 -35.344 -7.899 14.156 1.00 0.00 H new ATOM 0 HA SER A 427 -34.805 -9.133 12.394 1.00 0.00 H new ATOM 0 HB2 SER A 427 -36.055 -11.310 12.213 1.00 0.00 H new ATOM 0 HB3 SER A 427 -35.496 -10.927 13.829 1.00 0.00 H new ATOM 0 HG SER A 427 -38.063 -9.996 13.219 1.00 0.00 H new ATOM 100 N GLY A 428 -36.673 -7.560 10.995 1.00 0.00 N ATOM 101 CA GLY A 428 -37.301 -7.119 9.769 1.00 0.00 C ATOM 102 C GLY A 428 -36.321 -7.094 8.619 1.00 0.00 C ATOM 103 O GLY A 428 -36.607 -7.591 7.531 1.00 0.00 O ATOM 0 H GLY A 428 -36.304 -6.810 11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -38.131 -7.782 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -37.720 -6.123 9.912 1.00 0.00 H new ATOM 107 N VAL A 429 -35.144 -6.552 8.883 1.00 0.00 N ATOM 108 CA VAL A 429 -34.086 -6.480 7.890 1.00 0.00 C ATOM 109 C VAL A 429 -32.750 -6.213 8.581 1.00 0.00 C ATOM 110 O VAL A 429 -32.637 -5.306 9.404 1.00 0.00 O ATOM 111 CB VAL A 429 -34.378 -5.388 6.823 1.00 0.00 C ATOM 112 CG1 VAL A 429 -34.698 -4.045 7.467 1.00 0.00 C ATOM 113 CG2 VAL A 429 -33.213 -5.252 5.855 1.00 0.00 C ATOM 0 H VAL A 429 -34.896 -6.151 9.788 1.00 0.00 H new ATOM 0 HA VAL A 429 -34.038 -7.437 7.370 1.00 0.00 H new ATOM 0 HB VAL A 429 -35.258 -5.706 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -34.896 -3.307 6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -35.577 -4.147 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -33.850 -3.719 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -33.441 -4.482 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -32.314 -4.974 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -33.048 -6.203 5.348 1.00 0.00 H new ATOM 123 N PRO A 430 -31.763 -7.089 8.360 1.00 0.00 N ATOM 124 CA PRO A 430 -30.463 -7.001 9.030 1.00 0.00 C ATOM 125 C PRO A 430 -29.652 -5.793 8.573 1.00 0.00 C ATOM 126 O PRO A 430 -29.423 -5.600 7.378 1.00 0.00 O ATOM 127 CB PRO A 430 -29.752 -8.299 8.627 1.00 0.00 C ATOM 128 CG PRO A 430 -30.826 -9.192 8.108 1.00 0.00 C ATOM 129 CD PRO A 430 -31.858 -8.283 7.512 1.00 0.00 C ATOM 0 HA PRO A 430 -30.577 -6.880 10.107 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -28.994 -8.112 7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -29.244 -8.750 9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -30.434 -9.882 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -31.253 -9.797 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -31.644 -8.056 6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -32.854 -8.725 7.544 1.00 0.00 H new ATOM 137 N VAL A 431 -29.173 -5.014 9.533 1.00 0.00 N ATOM 138 CA VAL A 431 -28.321 -3.869 9.237 1.00 0.00 C ATOM 139 C VAL A 431 -26.868 -4.304 9.130 1.00 0.00 C ATOM 140 O VAL A 431 -25.987 -3.529 8.765 1.00 0.00 O ATOM 141 CB VAL A 431 -28.455 -2.758 10.305 1.00 0.00 C ATOM 142 CG1 VAL A 431 -29.889 -2.254 10.375 1.00 0.00 C ATOM 143 CG2 VAL A 431 -27.992 -3.253 11.670 1.00 0.00 C ATOM 0 H VAL A 431 -29.360 -5.154 10.526 1.00 0.00 H new ATOM 0 HA VAL A 431 -28.651 -3.459 8.282 1.00 0.00 H new ATOM 0 HB VAL A 431 -27.812 -1.928 10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -29.964 -1.473 11.132 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -30.180 -1.849 9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -30.552 -3.078 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -28.097 -2.452 12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -28.601 -4.105 11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -26.947 -3.557 11.612 1.00 0.00 H new ATOM 153 N THR A 432 -26.651 -5.566 9.416 1.00 0.00 N ATOM 154 CA THR A 432 -25.332 -6.165 9.346 1.00 0.00 C ATOM 155 C THR A 432 -24.883 -6.343 7.900 1.00 0.00 C ATOM 156 O THR A 432 -25.666 -6.759 7.044 1.00 0.00 O ATOM 157 CB THR A 432 -25.319 -7.525 10.064 1.00 0.00 C ATOM 158 OG1 THR A 432 -26.579 -8.187 9.874 1.00 0.00 O ATOM 159 CG2 THR A 432 -25.049 -7.348 11.548 1.00 0.00 C ATOM 0 H THR A 432 -27.385 -6.212 9.705 1.00 0.00 H new ATOM 0 HA THR A 432 -24.636 -5.490 9.844 1.00 0.00 H new ATOM 0 HB THR A 432 -24.521 -8.133 9.638 1.00 0.00 H new ATOM 0 HG1 THR A 432 -26.566 -9.054 10.332 1.00 0.00 H new ATOM 0 HG21 THR A 432 -25.044 -8.323 12.036 1.00 0.00 H new ATOM 0 HG22 THR A 432 -24.080 -6.868 11.687 1.00 0.00 H new ATOM 0 HG23 THR A 432 -25.828 -6.726 11.988 1.00 0.00 H new ATOM 167 N GLN A 433 -23.632 -6.000 7.628 1.00 0.00 N ATOM 168 CA GLN A 433 -23.080 -6.118 6.290 1.00 0.00 C ATOM 169 C GLN A 433 -23.079 -7.576 5.855 1.00 0.00 C ATOM 170 O GLN A 433 -22.685 -8.455 6.625 1.00 0.00 O ATOM 171 CB GLN A 433 -21.650 -5.570 6.226 1.00 0.00 C ATOM 172 CG GLN A 433 -21.527 -4.067 6.459 1.00 0.00 C ATOM 173 CD GLN A 433 -21.570 -3.675 7.927 1.00 0.00 C ATOM 174 OE1 GLN A 433 -22.617 -3.714 8.572 1.00 0.00 O ATOM 175 NE2 GLN A 433 -20.425 -3.302 8.470 1.00 0.00 N ATOM 0 H GLN A 433 -22.979 -5.636 8.322 1.00 0.00 H new ATOM 0 HA GLN A 433 -23.706 -5.530 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -21.044 -6.089 6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -21.229 -5.807 5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -20.591 -3.716 6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -22.334 -3.558 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -19.576 -3.281 7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -20.390 -3.035 9.454 1.00 0.00 H new ATOM 184 N THR A 434 -23.565 -7.832 4.648 1.00 0.00 N ATOM 185 CA THR A 434 -23.639 -9.192 4.127 1.00 0.00 C ATOM 186 C THR A 434 -22.250 -9.831 4.089 1.00 0.00 C ATOM 187 O THR A 434 -22.039 -10.913 4.635 1.00 0.00 O ATOM 188 CB THR A 434 -24.262 -9.207 2.718 1.00 0.00 C ATOM 189 OG1 THR A 434 -25.521 -8.517 2.740 1.00 0.00 O ATOM 190 CG2 THR A 434 -24.470 -10.630 2.223 1.00 0.00 C ATOM 0 H THR A 434 -23.914 -7.116 4.011 1.00 0.00 H new ATOM 0 HA THR A 434 -24.276 -9.772 4.795 1.00 0.00 H new ATOM 0 HB THR A 434 -23.575 -8.705 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 434 -25.915 -8.526 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 434 -24.911 -10.608 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 434 -23.510 -11.146 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 434 -25.138 -11.158 2.904 1.00 0.00 H new ATOM 198 N GLN A 435 -21.284 -9.087 3.574 1.00 0.00 N ATOM 199 CA GLN A 435 -19.894 -9.515 3.587 1.00 0.00 C ATOM 200 C GLN A 435 -18.992 -8.340 3.252 1.00 0.00 C ATOM 201 O GLN A 435 -19.183 -7.675 2.235 1.00 0.00 O ATOM 202 CB GLN A 435 -19.654 -10.652 2.588 1.00 0.00 C ATOM 203 CG GLN A 435 -18.207 -11.119 2.553 1.00 0.00 C ATOM 204 CD GLN A 435 -17.946 -12.209 1.529 1.00 0.00 C ATOM 205 OE1 GLN A 435 -18.992 -12.710 0.893 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -16.799 -12.601 1.315 1.00 0.00 N flip ATOM 0 H GLN A 435 -21.439 -8.178 3.139 1.00 0.00 H new ATOM 0 HA GLN A 435 -19.662 -9.884 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -20.296 -11.495 2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -19.947 -10.320 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -17.564 -10.266 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -17.928 -11.485 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -16.016 -12.191 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -16.631 -13.336 0.628 1.00 0.00 H new ATOM 215 N THR A 436 -18.015 -8.083 4.112 1.00 0.00 N ATOM 216 CA THR A 436 -17.084 -6.987 3.900 1.00 0.00 C ATOM 217 C THR A 436 -16.235 -7.240 2.654 1.00 0.00 C ATOM 218 O THR A 436 -15.648 -8.317 2.490 1.00 0.00 O ATOM 219 CB THR A 436 -16.178 -6.764 5.138 1.00 0.00 C ATOM 220 OG1 THR A 436 -15.295 -5.657 4.911 1.00 0.00 O ATOM 221 CG2 THR A 436 -15.365 -8.008 5.471 1.00 0.00 C ATOM 0 H THR A 436 -17.848 -8.620 4.963 1.00 0.00 H new ATOM 0 HA THR A 436 -17.668 -6.079 3.749 1.00 0.00 H new ATOM 0 HB THR A 436 -16.827 -6.547 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 436 -14.728 -5.524 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 436 -14.742 -7.813 6.344 1.00 0.00 H new ATOM 0 HG22 THR A 436 -16.040 -8.837 5.684 1.00 0.00 H new ATOM 0 HG23 THR A 436 -14.730 -8.266 4.623 1.00 0.00 H new ATOM 229 N ALA A 437 -16.246 -6.277 1.739 1.00 0.00 N ATOM 230 CA ALA A 437 -15.540 -6.411 0.473 1.00 0.00 C ATOM 231 C ALA A 437 -15.492 -5.083 -0.267 1.00 0.00 C ATOM 232 O ALA A 437 -16.466 -4.327 -0.263 1.00 0.00 O ATOM 233 CB ALA A 437 -16.203 -7.467 -0.400 1.00 0.00 C ATOM 0 H ALA A 437 -16.739 -5.391 1.853 1.00 0.00 H new ATOM 0 HA ALA A 437 -14.519 -6.723 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -15.661 -7.553 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -16.188 -8.427 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -17.235 -7.178 -0.600 1.00 0.00 H new ATOM 239 N GLY A 438 -14.374 -4.826 -0.925 1.00 0.00 N ATOM 240 CA GLY A 438 -14.224 -3.608 -1.686 1.00 0.00 C ATOM 241 C GLY A 438 -13.885 -2.418 -0.814 1.00 0.00 C ATOM 242 O GLY A 438 -14.386 -1.314 -1.040 1.00 0.00 O ATOM 0 H GLY A 438 -13.563 -5.445 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -13.440 -3.743 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -15.148 -3.406 -2.228 1.00 0.00 H new ATOM 246 N ALA A 439 -13.000 -2.627 0.152 1.00 0.00 N ATOM 247 CA ALA A 439 -12.544 -1.551 1.024 1.00 0.00 C ATOM 248 C ALA A 439 -11.721 -0.538 0.238 1.00 0.00 C ATOM 249 O ALA A 439 -11.743 0.659 0.534 1.00 0.00 O ATOM 250 CB ALA A 439 -11.732 -2.108 2.181 1.00 0.00 C ATOM 0 H ALA A 439 -12.582 -3.536 0.352 1.00 0.00 H new ATOM 0 HA ALA A 439 -13.420 -1.045 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -11.401 -1.290 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -12.349 -2.795 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -10.863 -2.640 1.793 1.00 0.00 H new ATOM 256 N ASP A 440 -10.976 -1.042 -0.746 1.00 0.00 N ATOM 257 CA ASP A 440 -10.099 -0.211 -1.569 1.00 0.00 C ATOM 258 C ASP A 440 -9.024 0.435 -0.700 1.00 0.00 C ATOM 259 O ASP A 440 -8.887 1.658 -0.652 1.00 0.00 O ATOM 260 CB ASP A 440 -10.905 0.854 -2.328 1.00 0.00 C ATOM 261 CG ASP A 440 -10.058 1.661 -3.291 1.00 0.00 C ATOM 262 OD1 ASP A 440 -9.465 1.068 -4.215 1.00 0.00 O ATOM 263 OD2 ASP A 440 -9.986 2.899 -3.132 1.00 0.00 O ATOM 0 H ASP A 440 -10.963 -2.031 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 440 -9.612 -0.846 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -11.710 0.368 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -11.372 1.528 -1.610 1.00 0.00 H new ATOM 268 N THR A 441 -8.332 -0.391 0.071 1.00 0.00 N ATOM 269 CA THR A 441 -7.311 0.089 0.988 1.00 0.00 C ATOM 270 C THR A 441 -6.291 -1.009 1.271 1.00 0.00 C ATOM 271 O THR A 441 -6.644 -2.097 1.728 1.00 0.00 O ATOM 272 CB THR A 441 -7.926 0.570 2.319 1.00 0.00 C ATOM 273 OG1 THR A 441 -8.951 1.539 2.061 1.00 0.00 O ATOM 274 CG2 THR A 441 -6.863 1.187 3.221 1.00 0.00 C ATOM 0 H THR A 441 -8.461 -1.403 0.079 1.00 0.00 H new ATOM 0 HA THR A 441 -6.816 0.935 0.510 1.00 0.00 H new ATOM 0 HB THR A 441 -8.354 -0.295 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 441 -9.339 1.839 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 441 -7.323 1.518 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 441 -6.095 0.445 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 441 -6.409 2.041 2.717 1.00 0.00 H new ATOM 282 N THR A 442 -5.038 -0.730 0.954 1.00 0.00 N ATOM 283 CA THR A 442 -3.970 -1.694 1.142 1.00 0.00 C ATOM 284 C THR A 442 -3.528 -1.755 2.601 1.00 0.00 C ATOM 285 O THR A 442 -3.068 -0.761 3.165 1.00 0.00 O ATOM 286 CB THR A 442 -2.766 -1.343 0.248 1.00 0.00 C ATOM 287 OG1 THR A 442 -3.209 -1.205 -1.109 1.00 0.00 O ATOM 288 CG2 THR A 442 -1.691 -2.417 0.320 1.00 0.00 C ATOM 0 H THR A 442 -4.735 0.162 0.563 1.00 0.00 H new ATOM 0 HA THR A 442 -4.355 -2.674 0.859 1.00 0.00 H new ATOM 0 HB THR A 442 -2.337 -0.406 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 442 -2.446 -0.980 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 442 -0.855 -2.139 -0.322 1.00 0.00 H new ATOM 0 HG22 THR A 442 -1.342 -2.514 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.104 -3.369 -0.014 1.00 0.00 H new ATOM 296 N ALA A 443 -3.661 -2.935 3.200 1.00 0.00 N ATOM 297 CA ALA A 443 -3.252 -3.151 4.580 1.00 0.00 C ATOM 298 C ALA A 443 -1.741 -3.253 4.687 1.00 0.00 C ATOM 299 O ALA A 443 -1.176 -3.078 5.771 1.00 0.00 O ATOM 300 CB ALA A 443 -3.878 -4.414 5.136 1.00 0.00 C ATOM 0 H ALA A 443 -4.052 -3.760 2.745 1.00 0.00 H new ATOM 0 HA ALA A 443 -3.595 -2.295 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -3.558 -4.555 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -4.964 -4.328 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -3.563 -5.270 4.539 1.00 0.00 H new ATOM 306 N GLU A 444 -1.123 -3.693 3.591 1.00 0.00 N ATOM 307 CA GLU A 444 0.297 -3.979 3.555 1.00 0.00 C ATOM 308 C GLU A 444 1.105 -2.879 4.210 1.00 0.00 C ATOM 309 O GLU A 444 0.978 -1.700 3.871 1.00 0.00 O ATOM 310 CB GLU A 444 0.746 -4.185 2.110 1.00 0.00 C ATOM 311 CG GLU A 444 2.166 -4.700 1.973 1.00 0.00 C ATOM 312 CD GLU A 444 2.400 -5.994 2.730 1.00 0.00 C ATOM 313 OE1 GLU A 444 2.424 -5.964 3.980 1.00 0.00 O ATOM 314 OE2 GLU A 444 2.540 -7.053 2.081 1.00 0.00 O ATOM 0 H GLU A 444 -1.601 -3.859 2.705 1.00 0.00 H new ATOM 0 HA GLU A 444 0.473 -4.893 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 444 0.067 -4.887 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 444 0.660 -3.239 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 444 2.390 -4.857 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 444 2.859 -3.941 2.337 1.00 0.00 H new ATOM 321 N LYS A 445 1.919 -3.293 5.170 1.00 0.00 N ATOM 322 CA LYS A 445 2.756 -2.388 5.946 1.00 0.00 C ATOM 323 C LYS A 445 3.934 -1.899 5.109 1.00 0.00 C ATOM 324 O LYS A 445 5.065 -1.801 5.584 1.00 0.00 O ATOM 325 CB LYS A 445 3.262 -3.097 7.201 1.00 0.00 C ATOM 326 CG LYS A 445 3.605 -2.155 8.343 1.00 0.00 C ATOM 327 CD LYS A 445 4.158 -2.909 9.540 1.00 0.00 C ATOM 328 CE LYS A 445 3.240 -4.044 9.966 1.00 0.00 C ATOM 329 NZ LYS A 445 1.881 -3.565 10.330 1.00 0.00 N ATOM 0 H LYS A 445 2.018 -4.273 5.435 1.00 0.00 H new ATOM 0 HA LYS A 445 2.159 -1.524 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 445 2.503 -3.802 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 445 4.147 -3.680 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 445 4.337 -1.422 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 445 2.714 -1.602 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 445 5.141 -3.310 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 445 4.294 -2.219 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 445 3.162 -4.769 9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 445 3.680 -4.564 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 1.324 -4.357 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 1.957 -2.819 11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 1.410 -3.184 9.485 1.00 0.00 H new ATOM 343 N CYS A 446 3.642 -1.575 3.869 1.00 0.00 N ATOM 344 CA CYS A 446 4.630 -1.082 2.942 1.00 0.00 C ATOM 345 C CYS A 446 3.997 -0.063 2.012 1.00 0.00 C ATOM 346 O CYS A 446 4.611 0.363 1.041 1.00 0.00 O ATOM 347 CB CYS A 446 5.205 -2.231 2.117 1.00 0.00 C ATOM 348 SG CYS A 446 6.368 -3.311 3.010 1.00 0.00 S ATOM 0 H CYS A 446 2.704 -1.648 3.475 1.00 0.00 H new ATOM 0 HA CYS A 446 5.435 -0.613 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 446 4.381 -2.839 1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.713 -1.815 1.247 1.00 0.00 H new ATOM 353 N LYS A 447 2.741 0.274 2.265 1.00 0.00 N ATOM 354 CA LYS A 447 2.045 1.220 1.411 1.00 0.00 C ATOM 355 C LYS A 447 2.464 2.658 1.718 1.00 0.00 C ATOM 356 O LYS A 447 1.993 3.268 2.687 1.00 0.00 O ATOM 357 CB LYS A 447 0.528 1.068 1.549 1.00 0.00 C ATOM 358 CG LYS A 447 -0.256 2.023 0.663 1.00 0.00 C ATOM 359 CD LYS A 447 0.069 1.824 -0.808 1.00 0.00 C ATOM 360 CE LYS A 447 -0.631 2.855 -1.678 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.109 4.230 -1.455 1.00 0.00 N ATOM 0 H LYS A 447 2.191 -0.088 3.044 1.00 0.00 H new ATOM 0 HA LYS A 447 2.323 0.998 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.249 0.043 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.246 1.234 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.324 1.873 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.032 3.051 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.147 1.893 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.232 0.822 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.506 2.587 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.701 2.837 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.464 4.861 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.428 4.576 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.931 4.215 -1.479 1.00 0.00 H new ATOM 375 N GLY A 448 3.248 3.228 0.809 1.00 0.00 N ATOM 376 CA GLY A 448 3.609 4.631 0.886 1.00 0.00 C ATOM 377 C GLY A 448 4.334 5.014 2.162 1.00 0.00 C ATOM 378 O GLY A 448 4.035 6.052 2.757 1.00 0.00 O ATOM 0 H GLY A 448 3.645 2.734 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 448 4.240 4.880 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.705 5.233 0.800 1.00 0.00 H new ATOM 382 N LYS A 449 5.336 4.239 2.547 1.00 0.00 N ATOM 383 CA LYS A 449 6.151 4.603 3.701 1.00 0.00 C ATOM 384 C LYS A 449 7.534 5.070 3.246 1.00 0.00 C ATOM 385 O LYS A 449 7.787 5.211 2.047 1.00 0.00 O ATOM 386 CB LYS A 449 6.302 3.424 4.668 1.00 0.00 C ATOM 387 CG LYS A 449 4.996 2.734 5.024 1.00 0.00 C ATOM 388 CD LYS A 449 5.094 2.024 6.367 1.00 0.00 C ATOM 389 CE LYS A 449 6.216 1.002 6.388 1.00 0.00 C ATOM 390 NZ LYS A 449 6.514 0.539 7.770 1.00 0.00 N ATOM 0 H LYS A 449 5.603 3.368 2.088 1.00 0.00 H new ATOM 0 HA LYS A 449 5.645 5.416 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.977 2.691 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 449 6.773 3.779 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 449 4.191 3.468 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.739 2.014 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 449 5.258 2.759 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 449 4.148 1.529 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 449 5.941 0.148 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 449 7.113 1.438 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 6.989 -0.386 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 7.135 1.228 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.627 0.451 8.305 1.00 0.00 H new ATOM 404 N GLY A 450 8.446 5.223 4.196 1.00 0.00 N ATOM 405 CA GLY A 450 9.818 5.554 3.868 1.00 0.00 C ATOM 406 C GLY A 450 10.593 4.327 3.438 1.00 0.00 C ATOM 407 O GLY A 450 10.243 3.213 3.822 1.00 0.00 O ATOM 0 H GLY A 450 8.258 5.123 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.834 6.295 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.302 6.007 4.733 1.00 0.00 H new ATOM 411 N GLU A 451 11.632 4.523 2.636 1.00 0.00 N ATOM 412 CA GLU A 451 12.451 3.423 2.138 1.00 0.00 C ATOM 413 C GLU A 451 13.089 2.665 3.299 1.00 0.00 C ATOM 414 O GLU A 451 13.191 1.439 3.272 1.00 0.00 O ATOM 415 CB GLU A 451 13.518 3.969 1.175 1.00 0.00 C ATOM 416 CG GLU A 451 14.280 2.907 0.386 1.00 0.00 C ATOM 417 CD GLU A 451 15.394 2.249 1.180 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.277 2.970 1.690 1.00 0.00 O ATOM 419 OE2 GLU A 451 15.402 1.005 1.283 1.00 0.00 O ATOM 0 H GLU A 451 11.930 5.443 2.313 1.00 0.00 H new ATOM 0 HA GLU A 451 11.820 2.721 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.037 4.648 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.234 4.559 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 451 13.580 2.141 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.703 3.364 -0.509 1.00 0.00 H new ATOM 426 N LYS A 452 13.453 3.401 4.345 1.00 0.00 N ATOM 427 CA LYS A 452 14.023 2.804 5.547 1.00 0.00 C ATOM 428 C LYS A 452 13.061 1.777 6.139 1.00 0.00 C ATOM 429 O LYS A 452 13.439 0.633 6.392 1.00 0.00 O ATOM 430 CB LYS A 452 14.333 3.889 6.576 1.00 0.00 C ATOM 431 CG LYS A 452 15.286 4.952 6.063 1.00 0.00 C ATOM 432 CD LYS A 452 15.415 6.107 7.040 1.00 0.00 C ATOM 433 CE LYS A 452 16.349 7.182 6.514 1.00 0.00 C ATOM 434 NZ LYS A 452 17.753 6.702 6.409 1.00 0.00 N ATOM 0 H LYS A 452 13.362 4.416 4.384 1.00 0.00 H new ATOM 0 HA LYS A 452 14.950 2.297 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 452 13.402 4.365 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 452 14.762 3.425 7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 452 16.267 4.509 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 452 14.932 5.326 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 452 14.431 6.538 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 452 15.787 5.737 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 452 16.005 7.512 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 452 16.311 8.049 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 18.379 7.504 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 18.041 6.271 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 17.822 5.995 5.649 1.00 0.00 H new ATOM 448 N ASP A 453 11.802 2.173 6.277 1.00 0.00 N ATOM 449 CA ASP A 453 10.752 1.278 6.759 1.00 0.00 C ATOM 450 C ASP A 453 10.446 0.192 5.737 1.00 0.00 C ATOM 451 O ASP A 453 10.386 -0.994 6.064 1.00 0.00 O ATOM 452 CB ASP A 453 9.468 2.063 7.030 1.00 0.00 C ATOM 453 CG ASP A 453 9.333 2.521 8.464 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.178 3.316 8.927 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.367 2.092 9.130 1.00 0.00 O ATOM 0 H ASP A 453 11.479 3.116 6.060 1.00 0.00 H new ATOM 0 HA ASP A 453 11.112 0.817 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.438 2.933 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 453 8.610 1.441 6.773 1.00 0.00 H new ATOM 460 N CYS A 454 10.138 0.632 4.529 1.00 0.00 N ATOM 461 CA CYS A 454 9.707 -0.226 3.461 1.00 0.00 C ATOM 462 C CYS A 454 10.828 -1.102 2.918 1.00 0.00 C ATOM 463 O CYS A 454 11.506 -0.737 1.959 1.00 0.00 O ATOM 464 CB CYS A 454 9.148 0.660 2.365 1.00 0.00 C ATOM 465 SG CYS A 454 7.459 1.240 2.695 1.00 0.00 S ATOM 0 H CYS A 454 10.184 1.617 4.267 1.00 0.00 H new ATOM 0 HA CYS A 454 8.951 -0.913 3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.802 1.523 2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 454 9.158 0.110 1.424 1.00 0.00 H new ATOM 470 N LYS A 455 10.887 -2.325 3.422 1.00 0.00 N ATOM 471 CA LYS A 455 11.786 -3.335 2.898 1.00 0.00 C ATOM 472 C LYS A 455 11.137 -4.692 3.003 1.00 0.00 C ATOM 473 O LYS A 455 10.428 -4.974 3.972 1.00 0.00 O ATOM 474 CB LYS A 455 13.101 -3.374 3.654 1.00 0.00 C ATOM 475 CG LYS A 455 14.009 -2.191 3.384 1.00 0.00 C ATOM 476 CD LYS A 455 15.117 -2.116 4.405 1.00 0.00 C ATOM 477 CE LYS A 455 16.182 -1.114 3.995 1.00 0.00 C ATOM 478 NZ LYS A 455 15.630 0.256 3.836 1.00 0.00 N ATOM 0 H LYS A 455 10.314 -2.642 4.204 1.00 0.00 H new ATOM 0 HA LYS A 455 11.991 -3.079 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 455 12.891 -3.420 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 455 13.630 -4.291 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 455 14.436 -2.276 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 455 13.427 -1.269 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 455 14.703 -1.834 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 455 15.569 -3.100 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 455 16.974 -1.100 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 455 16.636 -1.432 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 15.612 0.508 2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 14.663 0.287 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 16.228 0.933 4.352 1.00 0.00 H new ATOM 492 N SER A 456 11.373 -5.509 1.997 1.00 0.00 N ATOM 493 CA SER A 456 10.810 -6.838 1.922 1.00 0.00 C ATOM 494 C SER A 456 11.172 -7.456 0.585 1.00 0.00 C ATOM 495 O SER A 456 11.219 -6.753 -0.426 1.00 0.00 O ATOM 496 CB SER A 456 9.285 -6.777 2.107 1.00 0.00 C ATOM 497 OG SER A 456 8.640 -7.915 1.569 1.00 0.00 O ATOM 0 H SER A 456 11.966 -5.266 1.203 1.00 0.00 H new ATOM 0 HA SER A 456 11.219 -7.458 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 456 9.052 -6.696 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 456 8.897 -5.879 1.626 1.00 0.00 H new ATOM 0 HG SER A 456 7.751 -8.007 1.970 1.00 0.00 H new ATOM 503 N PRO A 457 11.325 -8.790 0.525 1.00 0.00 N ATOM 504 CA PRO A 457 11.493 -9.498 -0.738 1.00 0.00 C ATOM 505 C PRO A 457 10.156 -9.577 -1.473 1.00 0.00 C ATOM 506 O PRO A 457 9.869 -10.530 -2.202 1.00 0.00 O ATOM 507 CB PRO A 457 11.969 -10.882 -0.302 1.00 0.00 C ATOM 508 CG PRO A 457 11.371 -11.086 1.051 1.00 0.00 C ATOM 509 CD PRO A 457 11.165 -9.719 1.657 1.00 0.00 C ATOM 0 HA PRO A 457 12.188 -9.015 -1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.639 -11.651 -1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 457 13.057 -10.932 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 457 10.424 -11.621 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 457 12.030 -11.689 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 457 10.177 -9.629 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 457 11.894 -9.518 2.442 1.00 0.00 H new ATOM 517 N ASP A 458 9.319 -8.587 -1.200 1.00 0.00 N ATOM 518 CA ASP A 458 7.980 -8.509 -1.759 1.00 0.00 C ATOM 519 C ASP A 458 7.556 -7.053 -1.891 1.00 0.00 C ATOM 520 O ASP A 458 7.082 -6.636 -2.946 1.00 0.00 O ATOM 521 CB ASP A 458 6.991 -9.271 -0.876 1.00 0.00 C ATOM 522 CG ASP A 458 5.615 -9.386 -1.496 1.00 0.00 C ATOM 523 OD1 ASP A 458 4.894 -8.371 -1.568 1.00 0.00 O ATOM 524 OD2 ASP A 458 5.246 -10.507 -1.908 1.00 0.00 O ATOM 0 H ASP A 458 9.552 -7.811 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 458 7.984 -8.966 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 458 7.381 -10.270 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.909 -8.767 0.087 1.00 0.00 H new ATOM 529 N CYS A 459 7.834 -6.253 -0.863 1.00 0.00 N ATOM 530 CA CYS A 459 7.576 -4.816 -0.944 1.00 0.00 C ATOM 531 C CYS A 459 8.537 -4.189 -1.945 1.00 0.00 C ATOM 532 O CYS A 459 9.716 -4.547 -1.979 1.00 0.00 O ATOM 533 CB CYS A 459 7.721 -4.141 0.427 1.00 0.00 C ATOM 534 SG CYS A 459 6.650 -4.851 1.725 1.00 0.00 S ATOM 0 H CYS A 459 8.231 -6.568 0.022 1.00 0.00 H new ATOM 0 HA CYS A 459 6.549 -4.666 -1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 459 8.760 -4.214 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 459 7.494 -3.080 0.324 1.00 0.00 H new ATOM 539 N LYS A 460 8.027 -3.335 -2.822 1.00 0.00 N ATOM 540 CA LYS A 460 8.859 -2.777 -3.877 1.00 0.00 C ATOM 541 C LYS A 460 8.829 -1.261 -3.877 1.00 0.00 C ATOM 542 O LYS A 460 7.836 -0.642 -3.484 1.00 0.00 O ATOM 543 CB LYS A 460 8.446 -3.313 -5.248 1.00 0.00 C ATOM 544 CG LYS A 460 6.968 -3.159 -5.554 1.00 0.00 C ATOM 545 CD LYS A 460 6.688 -3.457 -7.016 1.00 0.00 C ATOM 546 CE LYS A 460 5.199 -3.604 -7.290 1.00 0.00 C ATOM 547 NZ LYS A 460 4.626 -4.812 -6.641 1.00 0.00 N ATOM 0 H LYS A 460 7.057 -3.018 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 460 9.882 -3.092 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 460 9.021 -2.796 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 460 8.710 -4.369 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.389 -3.833 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 460 6.646 -2.145 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 460 7.093 -2.656 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 460 7.202 -4.374 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 460 4.676 -2.718 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 460 5.033 -3.658 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 4.092 -5.363 -7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 5.395 -5.396 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 3.989 -4.523 -5.871 1.00 0.00 H new ATOM 561 N TRP A 461 9.935 -0.685 -4.309 1.00 0.00 N ATOM 562 CA TRP A 461 10.096 0.755 -4.375 1.00 0.00 C ATOM 563 C TRP A 461 9.907 1.227 -5.812 1.00 0.00 C ATOM 564 O TRP A 461 10.496 0.661 -6.735 1.00 0.00 O ATOM 565 CB TRP A 461 11.496 1.142 -3.882 1.00 0.00 C ATOM 566 CG TRP A 461 11.602 2.564 -3.423 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.299 3.573 -4.015 1.00 0.00 C ATOM 568 CD2 TRP A 461 11.009 3.122 -2.250 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.153 4.734 -3.294 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.370 4.479 -2.201 1.00 0.00 C ATOM 571 CE3 TRP A 461 10.201 2.603 -1.239 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.946 5.320 -1.175 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.783 3.438 -0.228 1.00 0.00 C ATOM 574 CH2 TRP A 461 10.154 4.784 -0.200 1.00 0.00 C ATOM 0 H TRP A 461 10.752 -1.207 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 461 9.348 1.230 -3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.777 0.483 -3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.213 0.975 -4.685 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.882 3.475 -4.919 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.561 5.637 -3.534 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.908 1.563 -1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.234 6.361 -1.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 9.156 3.045 0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.808 5.413 0.607 1.00 0.00 H new ATOM 585 N GLU A 462 9.088 2.247 -6.008 1.00 0.00 N ATOM 586 CA GLU A 462 8.838 2.777 -7.342 1.00 0.00 C ATOM 587 C GLU A 462 8.316 4.206 -7.270 1.00 0.00 C ATOM 588 O GLU A 462 7.281 4.469 -6.659 1.00 0.00 O ATOM 589 CB GLU A 462 7.838 1.882 -8.088 1.00 0.00 C ATOM 590 CG GLU A 462 7.331 2.471 -9.396 1.00 0.00 C ATOM 591 CD GLU A 462 8.415 2.665 -10.442 1.00 0.00 C ATOM 592 OE1 GLU A 462 9.558 2.209 -10.230 1.00 0.00 O ATOM 593 OE2 GLU A 462 8.119 3.271 -11.493 1.00 0.00 O ATOM 0 H GLU A 462 8.584 2.726 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 462 9.781 2.787 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 462 8.310 0.921 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 462 6.987 1.686 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 462 6.559 1.818 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 462 6.860 3.432 -9.192 1.00 0.00 H new ATOM 600 N GLY A 463 9.032 5.116 -7.914 1.00 0.00 N ATOM 601 CA GLY A 463 8.632 6.507 -7.942 1.00 0.00 C ATOM 602 C GLY A 463 8.657 7.145 -6.570 1.00 0.00 C ATOM 603 O GLY A 463 7.771 7.926 -6.227 1.00 0.00 O ATOM 0 H GLY A 463 9.892 4.912 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 463 9.295 7.059 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 463 7.627 6.584 -8.357 1.00 0.00 H new ATOM 607 N GLY A 464 9.691 6.835 -5.798 1.00 0.00 N ATOM 608 CA GLY A 464 9.840 7.414 -4.476 1.00 0.00 C ATOM 609 C GLY A 464 8.715 7.026 -3.535 1.00 0.00 C ATOM 610 O GLY A 464 8.229 7.855 -2.764 1.00 0.00 O ATOM 0 H GLY A 464 10.433 6.189 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 464 10.791 7.095 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.878 8.500 -4.562 1.00 0.00 H new ATOM 614 N THR A 465 8.318 5.764 -3.582 1.00 0.00 N ATOM 615 CA THR A 465 7.275 5.258 -2.704 1.00 0.00 C ATOM 616 C THR A 465 7.192 3.738 -2.796 1.00 0.00 C ATOM 617 O THR A 465 7.510 3.144 -3.831 1.00 0.00 O ATOM 618 CB THR A 465 5.891 5.879 -3.021 1.00 0.00 C ATOM 619 OG1 THR A 465 4.955 5.564 -1.979 1.00 0.00 O ATOM 620 CG2 THR A 465 5.346 5.387 -4.353 1.00 0.00 C ATOM 0 H THR A 465 8.704 5.069 -4.221 1.00 0.00 H new ATOM 0 HA THR A 465 7.544 5.548 -1.688 1.00 0.00 H new ATOM 0 HB THR A 465 6.025 6.959 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 465 4.867 6.331 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 465 4.375 5.845 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 465 6.036 5.660 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 465 5.237 4.303 -4.323 1.00 0.00 H new ATOM 628 N CYS A 466 6.831 3.117 -1.689 1.00 0.00 N ATOM 629 CA CYS A 466 6.693 1.675 -1.623 1.00 0.00 C ATOM 630 C CYS A 466 5.246 1.274 -1.854 1.00 0.00 C ATOM 631 O CYS A 466 4.330 2.024 -1.506 1.00 0.00 O ATOM 632 CB CYS A 466 7.169 1.165 -0.270 1.00 0.00 C ATOM 633 SG CYS A 466 7.035 2.369 1.072 1.00 0.00 S ATOM 0 H CYS A 466 6.626 3.597 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 466 7.308 1.228 -2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 466 6.592 0.279 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 466 8.209 0.853 -0.359 1.00 0.00 H new ATOM 638 N LYS A 467 5.033 0.137 -2.503 1.00 0.00 N ATOM 639 CA LYS A 467 3.685 -0.288 -2.841 1.00 0.00 C ATOM 640 C LYS A 467 3.601 -1.789 -3.058 1.00 0.00 C ATOM 641 O LYS A 467 4.547 -2.416 -3.543 1.00 0.00 O ATOM 642 CB LYS A 467 3.211 0.436 -4.100 1.00 0.00 C ATOM 643 CG LYS A 467 4.088 0.182 -5.316 1.00 0.00 C ATOM 644 CD LYS A 467 3.531 0.857 -6.557 1.00 0.00 C ATOM 645 CE LYS A 467 4.405 0.583 -7.765 1.00 0.00 C ATOM 646 NZ LYS A 467 3.837 1.150 -9.013 1.00 0.00 N ATOM 0 H LYS A 467 5.770 -0.501 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 467 3.041 -0.034 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 467 2.192 0.124 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.180 1.508 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.096 0.550 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.168 -0.891 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 467 2.519 0.498 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 467 3.462 1.932 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 467 5.396 1.004 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 467 4.531 -0.493 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 4.470 0.937 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 2.902 0.730 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 3.740 2.181 -8.914 1.00 0.00 H new ATOM 660 N ASP A 468 2.442 -2.349 -2.741 1.00 0.00 N ATOM 661 CA ASP A 468 2.176 -3.754 -3.000 1.00 0.00 C ATOM 662 C ASP A 468 1.640 -3.907 -4.419 1.00 0.00 C ATOM 663 O ASP A 468 2.414 -4.302 -5.315 1.00 0.00 O ATOM 664 CB ASP A 468 1.163 -4.299 -1.987 1.00 0.00 C ATOM 665 CG ASP A 468 0.893 -5.789 -2.141 1.00 0.00 C ATOM 666 OD1 ASP A 468 1.583 -6.463 -2.936 1.00 0.00 O ATOM 667 OD2 ASP A 468 -0.009 -6.302 -1.445 1.00 0.00 O ATOM 668 OXT ASP A 468 0.458 -3.575 -4.648 1.00 0.00 O ATOM 0 H ASP A 468 1.669 -1.848 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 468 3.100 -4.323 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 468 1.530 -4.106 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 468 0.225 -3.755 -2.094 1.00 0.00 H new TER 673 ASP A 468