USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=15 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+ -108:sc= -1.08 (180deg=-3.51!) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot -3:sc= 0.316 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= -0.0973 USER MOD Single : A 435 GLN :FLIP amide:sc= -0.335 F(o=-2.4!,f=-0.33) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 441 THR OG1 : rot 41:sc= 0.0372 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 445 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 452 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00681) USER MOD Single : A 456 SER OG : rot 180:sc= -0.0721 USER MOD Single : A 460 LYS NZ :NH3+ -148:sc= -0.0627! (180deg=-2.96!) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -4.283 9.390 0.948 1.00 0.00 N ATOM 2 CA GLY A 421 -3.686 9.495 2.301 1.00 0.00 C ATOM 3 C GLY A 421 -3.478 10.936 2.712 1.00 0.00 C ATOM 4 O GLY A 421 -3.061 11.760 1.895 1.00 0.00 O ATOM 0 HA2 GLY A 421 -4.335 9.001 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -2.731 8.970 2.319 1.00 0.00 H new ATOM 10 N THR A 422 -3.810 11.246 3.965 1.00 0.00 N ATOM 11 CA THR A 422 -3.704 12.604 4.486 1.00 0.00 C ATOM 12 C THR A 422 -4.704 13.524 3.783 1.00 0.00 C ATOM 13 O THR A 422 -4.347 14.289 2.885 1.00 0.00 O ATOM 14 CB THR A 422 -2.270 13.154 4.335 1.00 0.00 C ATOM 15 OG1 THR A 422 -1.333 12.191 4.835 1.00 0.00 O ATOM 16 CG2 THR A 422 -2.103 14.464 5.093 1.00 0.00 C ATOM 0 H THR A 422 -4.157 10.566 4.642 1.00 0.00 H new ATOM 0 HA THR A 422 -3.940 12.573 5.550 1.00 0.00 H new ATOM 0 HB THR A 422 -2.084 13.342 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.422 12.540 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 422 -1.083 14.829 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 422 -2.803 15.203 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 422 -2.304 14.300 6.152 1.00 0.00 H new ATOM 24 N LYS A 423 -5.971 13.364 4.140 1.00 0.00 N ATOM 25 CA LYS A 423 -7.055 14.115 3.523 1.00 0.00 C ATOM 26 C LYS A 423 -6.952 15.598 3.866 1.00 0.00 C ATOM 27 O LYS A 423 -7.173 15.993 5.012 1.00 0.00 O ATOM 28 CB LYS A 423 -8.396 13.560 4.000 1.00 0.00 C ATOM 29 CG LYS A 423 -9.603 14.219 3.359 1.00 0.00 C ATOM 30 CD LYS A 423 -10.914 13.721 3.954 1.00 0.00 C ATOM 31 CE LYS A 423 -11.207 12.273 3.581 1.00 0.00 C ATOM 32 NZ LYS A 423 -10.428 11.300 4.393 1.00 0.00 N ATOM 0 H LYS A 423 -6.275 12.712 4.863 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.981 14.010 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -8.428 12.490 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -8.462 13.679 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -9.535 15.299 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -9.595 14.023 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.876 13.813 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -11.731 14.355 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.271 12.077 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -10.981 12.122 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -9.689 10.867 3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -9.985 11.793 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -11.064 10.559 4.750 1.00 0.00 H new ATOM 46 N ALA A 424 -6.671 16.413 2.860 1.00 0.00 N ATOM 47 CA ALA A 424 -6.569 17.856 3.035 1.00 0.00 C ATOM 48 C ALA A 424 -6.585 18.549 1.678 1.00 0.00 C ATOM 49 O ALA A 424 -7.648 18.738 1.086 1.00 0.00 O ATOM 50 CB ALA A 424 -5.311 18.222 3.818 1.00 0.00 C ATOM 0 H ALA A 424 -6.508 16.096 1.904 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.429 18.198 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -5.258 19.304 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -5.344 17.752 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -4.431 17.872 3.278 1.00 0.00 H new ATOM 56 N SER A 425 -5.406 18.840 1.147 1.00 0.00 N ATOM 57 CA SER A 425 -5.292 19.427 -0.180 1.00 0.00 C ATOM 58 C SER A 425 -5.745 18.421 -1.235 1.00 0.00 C ATOM 59 O SER A 425 -6.479 18.764 -2.161 1.00 0.00 O ATOM 60 CB SER A 425 -3.850 19.870 -0.446 1.00 0.00 C ATOM 61 OG SER A 425 -3.749 20.599 -1.659 1.00 0.00 O ATOM 0 H SER A 425 -4.514 18.679 1.615 1.00 0.00 H new ATOM 0 HA SER A 425 -5.935 20.305 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 425 -3.498 20.486 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 425 -3.201 18.995 -0.490 1.00 0.00 H new ATOM 0 HG SER A 425 -2.818 20.870 -1.801 1.00 0.00 H new ATOM 67 N LYS A 426 -5.357 17.168 -1.054 1.00 0.00 N ATOM 68 CA LYS A 426 -5.780 16.112 -1.955 1.00 0.00 C ATOM 69 C LYS A 426 -6.925 15.319 -1.336 1.00 0.00 C ATOM 70 O LYS A 426 -6.858 14.921 -0.170 1.00 0.00 O ATOM 71 CB LYS A 426 -4.608 15.183 -2.288 1.00 0.00 C ATOM 72 CG LYS A 426 -4.900 14.227 -3.435 1.00 0.00 C ATOM 73 CD LYS A 426 -5.266 14.989 -4.698 1.00 0.00 C ATOM 74 CE LYS A 426 -5.579 14.054 -5.850 1.00 0.00 C ATOM 75 NZ LYS A 426 -6.019 14.800 -7.056 1.00 0.00 N ATOM 0 H LYS A 426 -4.752 16.860 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 426 -6.129 16.568 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -3.736 15.787 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -4.349 14.605 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -4.027 13.602 -3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -5.717 13.560 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -6.129 15.625 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -4.443 15.647 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -4.695 13.463 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -6.359 13.354 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -6.224 14.129 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -6.877 15.345 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -5.265 15.450 -7.357 1.00 0.00 H new ATOM 89 N SER A 427 -7.989 15.138 -2.101 1.00 0.00 N ATOM 90 CA SER A 427 -9.169 14.424 -1.639 1.00 0.00 C ATOM 91 C SER A 427 -9.933 13.856 -2.830 1.00 0.00 C ATOM 92 O SER A 427 -9.935 14.442 -3.914 1.00 0.00 O ATOM 93 CB SER A 427 -10.075 15.354 -0.823 1.00 0.00 C ATOM 94 OG SER A 427 -9.387 15.870 0.306 1.00 0.00 O ATOM 0 H SER A 427 -8.060 15.481 -3.059 1.00 0.00 H new ATOM 0 HA SER A 427 -8.851 13.603 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 427 -10.419 16.176 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 427 -10.961 14.810 -0.496 1.00 0.00 H new ATOM 0 HG SER A 427 -8.487 15.485 0.345 1.00 0.00 H new ATOM 100 N GLY A 428 -10.486 12.668 -2.656 1.00 0.00 N ATOM 101 CA GLY A 428 -11.187 12.003 -3.733 1.00 0.00 C ATOM 102 C GLY A 428 -11.589 10.597 -3.349 1.00 0.00 C ATOM 103 O GLY A 428 -12.199 10.404 -2.300 1.00 0.00 O ATOM 0 H GLY A 428 -10.462 12.147 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -12.075 12.576 -3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -10.551 11.972 -4.618 1.00 0.00 H new ATOM 107 N VAL A 429 -11.184 9.633 -4.184 1.00 0.00 N ATOM 108 CA VAL A 429 -11.427 8.193 -3.985 1.00 0.00 C ATOM 109 C VAL A 429 -12.862 7.867 -3.537 1.00 0.00 C ATOM 110 O VAL A 429 -13.238 8.043 -2.378 1.00 0.00 O ATOM 111 CB VAL A 429 -10.384 7.524 -3.037 1.00 0.00 C ATOM 112 CG1 VAL A 429 -8.993 7.598 -3.645 1.00 0.00 C ATOM 113 CG2 VAL A 429 -10.377 8.138 -1.642 1.00 0.00 C ATOM 0 H VAL A 429 -10.665 9.834 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 429 -11.298 7.757 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 429 -10.682 6.481 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -8.276 7.127 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -8.987 7.078 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -8.717 8.642 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -9.633 7.633 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -10.132 9.198 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -11.362 8.023 -1.189 1.00 0.00 H new ATOM 123 N PRO A 430 -13.662 7.296 -4.450 1.00 0.00 N ATOM 124 CA PRO A 430 -15.036 6.882 -4.169 1.00 0.00 C ATOM 125 C PRO A 430 -15.091 5.594 -3.349 1.00 0.00 C ATOM 126 O PRO A 430 -15.737 4.623 -3.734 1.00 0.00 O ATOM 127 CB PRO A 430 -15.650 6.658 -5.563 1.00 0.00 C ATOM 128 CG PRO A 430 -14.591 7.035 -6.550 1.00 0.00 C ATOM 129 CD PRO A 430 -13.281 6.960 -5.821 1.00 0.00 C ATOM 0 HA PRO A 430 -15.569 7.626 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -15.951 5.619 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -16.543 7.268 -5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -14.599 6.358 -7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -14.762 8.039 -6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -12.836 5.967 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -12.552 7.663 -6.223 1.00 0.00 H new ATOM 137 N VAL A 431 -14.372 5.576 -2.237 1.00 0.00 N ATOM 138 CA VAL A 431 -14.321 4.400 -1.383 1.00 0.00 C ATOM 139 C VAL A 431 -15.338 4.527 -0.251 1.00 0.00 C ATOM 140 O VAL A 431 -15.169 3.956 0.829 1.00 0.00 O ATOM 141 CB VAL A 431 -12.910 4.190 -0.791 1.00 0.00 C ATOM 142 CG1 VAL A 431 -12.722 2.752 -0.336 1.00 0.00 C ATOM 143 CG2 VAL A 431 -11.839 4.575 -1.796 1.00 0.00 C ATOM 0 H VAL A 431 -13.815 6.364 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 431 -14.564 3.534 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 431 -12.811 4.839 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -11.721 2.629 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -13.462 2.512 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -12.848 2.082 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -10.854 4.418 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -11.940 3.958 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -11.953 5.625 -2.065 1.00 0.00 H new ATOM 153 N THR A 432 -16.411 5.248 -0.519 1.00 0.00 N ATOM 154 CA THR A 432 -17.478 5.406 0.449 1.00 0.00 C ATOM 155 C THR A 432 -18.321 4.140 0.490 1.00 0.00 C ATOM 156 O THR A 432 -18.549 3.559 1.552 1.00 0.00 O ATOM 157 CB THR A 432 -18.363 6.613 0.090 1.00 0.00 C ATOM 158 OG1 THR A 432 -17.535 7.751 -0.190 1.00 0.00 O ATOM 159 CG2 THR A 432 -19.319 6.947 1.224 1.00 0.00 C ATOM 0 H THR A 432 -16.566 5.734 -1.402 1.00 0.00 H new ATOM 0 HA THR A 432 -17.037 5.582 1.430 1.00 0.00 H new ATOM 0 HB THR A 432 -18.951 6.356 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 432 -18.100 8.518 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 432 -19.932 7.803 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 432 -19.962 6.090 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 432 -18.749 7.188 2.121 1.00 0.00 H new ATOM 167 N GLN A 433 -18.693 3.668 -0.689 1.00 0.00 N ATOM 168 CA GLN A 433 -19.439 2.433 -0.824 1.00 0.00 C ATOM 169 C GLN A 433 -19.256 1.891 -2.235 1.00 0.00 C ATOM 170 O GLN A 433 -20.220 1.599 -2.942 1.00 0.00 O ATOM 171 CB GLN A 433 -20.921 2.666 -0.516 1.00 0.00 C ATOM 172 CG GLN A 433 -21.695 1.387 -0.233 1.00 0.00 C ATOM 173 CD GLN A 433 -23.129 1.660 0.156 1.00 0.00 C ATOM 174 OE1 GLN A 433 -23.908 2.193 -0.636 1.00 0.00 O ATOM 175 NE2 GLN A 433 -23.481 1.318 1.386 1.00 0.00 N ATOM 0 H GLN A 433 -18.486 4.130 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 433 -19.063 1.701 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -21.004 3.329 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -21.382 3.180 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -21.676 0.750 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -21.202 0.836 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -22.802 0.879 2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -24.431 1.494 1.712 1.00 0.00 H new ATOM 184 N THR A 434 -18.000 1.809 -2.649 1.00 0.00 N ATOM 185 CA THR A 434 -17.643 1.320 -3.973 1.00 0.00 C ATOM 186 C THR A 434 -16.219 0.770 -3.946 1.00 0.00 C ATOM 187 O THR A 434 -15.250 1.528 -3.896 1.00 0.00 O ATOM 188 CB THR A 434 -17.745 2.433 -5.043 1.00 0.00 C ATOM 189 OG1 THR A 434 -19.042 3.048 -5.000 1.00 0.00 O ATOM 190 CG2 THR A 434 -17.498 1.874 -6.438 1.00 0.00 C ATOM 0 H THR A 434 -17.200 2.079 -2.077 1.00 0.00 H new ATOM 0 HA THR A 434 -18.347 0.532 -4.240 1.00 0.00 H new ATOM 0 HB THR A 434 -16.981 3.178 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 434 -19.093 3.751 -5.681 1.00 0.00 H new ATOM 0 HG21 THR A 434 -17.576 2.677 -7.171 1.00 0.00 H new ATOM 0 HG22 THR A 434 -16.501 1.437 -6.483 1.00 0.00 H new ATOM 0 HG23 THR A 434 -18.241 1.108 -6.660 1.00 0.00 H new ATOM 198 N GLN A 435 -16.111 -0.547 -3.869 1.00 0.00 N ATOM 199 CA GLN A 435 -14.820 -1.209 -3.746 1.00 0.00 C ATOM 200 C GLN A 435 -14.687 -2.301 -4.799 1.00 0.00 C ATOM 201 O GLN A 435 -15.696 -2.793 -5.310 1.00 0.00 O ATOM 202 CB GLN A 435 -14.641 -1.809 -2.342 1.00 0.00 C ATOM 203 CG GLN A 435 -14.579 -0.774 -1.220 1.00 0.00 C ATOM 204 CD GLN A 435 -15.947 -0.282 -0.766 1.00 0.00 C ATOM 205 OE1 GLN A 435 -16.986 -1.063 -1.027 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -16.063 0.777 -0.152 1.00 0.00 N flip ATOM 0 H GLN A 435 -16.908 -1.183 -3.890 1.00 0.00 H new ATOM 0 HA GLN A 435 -14.040 -0.464 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -15.466 -2.493 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -13.725 -2.400 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -14.057 -1.207 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -13.989 0.079 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -15.241 1.353 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -16.981 1.079 0.174 1.00 0.00 H new ATOM 215 N THR A 436 -13.451 -2.602 -5.188 1.00 0.00 N ATOM 216 CA THR A 436 -13.188 -3.576 -6.246 1.00 0.00 C ATOM 217 C THR A 436 -13.861 -4.918 -5.942 1.00 0.00 C ATOM 218 O THR A 436 -14.776 -5.334 -6.651 1.00 0.00 O ATOM 219 CB THR A 436 -11.672 -3.793 -6.415 1.00 0.00 C ATOM 220 OG1 THR A 436 -10.993 -2.535 -6.298 1.00 0.00 O ATOM 221 CG2 THR A 436 -11.359 -4.419 -7.765 1.00 0.00 C ATOM 0 H THR A 436 -12.612 -2.184 -4.785 1.00 0.00 H new ATOM 0 HA THR A 436 -13.603 -3.177 -7.171 1.00 0.00 H new ATOM 0 HB THR A 436 -11.330 -4.473 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 436 -10.029 -2.673 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 436 -10.282 -4.562 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 436 -11.861 -5.383 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 436 -11.709 -3.761 -8.561 1.00 0.00 H new ATOM 229 N ALA A 437 -13.446 -5.553 -4.852 1.00 0.00 N ATOM 230 CA ALA A 437 -14.031 -6.818 -4.425 1.00 0.00 C ATOM 231 C ALA A 437 -13.681 -7.100 -2.968 1.00 0.00 C ATOM 232 O ALA A 437 -13.538 -8.252 -2.555 1.00 0.00 O ATOM 233 CB ALA A 437 -13.540 -7.953 -5.314 1.00 0.00 C ATOM 0 H ALA A 437 -12.702 -5.210 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 437 -15.115 -6.747 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -13.985 -8.892 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -13.829 -7.758 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -12.454 -8.023 -5.248 1.00 0.00 H new ATOM 239 N GLY A 438 -13.537 -6.034 -2.196 1.00 0.00 N ATOM 240 CA GLY A 438 -13.181 -6.166 -0.797 1.00 0.00 C ATOM 241 C GLY A 438 -12.636 -4.871 -0.240 1.00 0.00 C ATOM 242 O GLY A 438 -12.951 -4.483 0.884 1.00 0.00 O ATOM 0 H GLY A 438 -13.661 -5.073 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -14.057 -6.469 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -12.437 -6.954 -0.683 1.00 0.00 H new ATOM 246 N ALA A 439 -11.828 -4.194 -1.045 1.00 0.00 N ATOM 247 CA ALA A 439 -11.237 -2.921 -0.661 1.00 0.00 C ATOM 248 C ALA A 439 -10.778 -2.166 -1.900 1.00 0.00 C ATOM 249 O ALA A 439 -10.119 -2.734 -2.771 1.00 0.00 O ATOM 250 CB ALA A 439 -10.064 -3.144 0.280 1.00 0.00 C ATOM 0 H ALA A 439 -11.565 -4.511 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 439 -11.990 -2.328 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -9.633 -2.182 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -10.409 -3.660 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -9.308 -3.750 -0.219 1.00 0.00 H new ATOM 256 N ASP A 440 -11.146 -0.898 -1.998 1.00 0.00 N ATOM 257 CA ASP A 440 -10.749 -0.089 -3.145 1.00 0.00 C ATOM 258 C ASP A 440 -9.398 0.550 -2.887 1.00 0.00 C ATOM 259 O ASP A 440 -8.496 0.501 -3.726 1.00 0.00 O ATOM 260 CB ASP A 440 -11.794 0.985 -3.456 1.00 0.00 C ATOM 261 CG ASP A 440 -11.447 1.767 -4.705 1.00 0.00 C ATOM 262 OD1 ASP A 440 -11.318 1.149 -5.782 1.00 0.00 O ATOM 263 OD2 ASP A 440 -11.301 3.004 -4.619 1.00 0.00 O ATOM 0 H ASP A 440 -11.713 -0.409 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 440 -10.675 -0.744 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -12.770 0.516 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -11.875 1.668 -2.611 1.00 0.00 H new ATOM 268 N THR A 441 -9.231 1.054 -1.679 1.00 0.00 N ATOM 269 CA THR A 441 -7.943 1.555 -1.248 1.00 0.00 C ATOM 270 C THR A 441 -7.083 0.394 -0.771 1.00 0.00 C ATOM 271 O THR A 441 -7.495 -0.373 0.103 1.00 0.00 O ATOM 272 CB THR A 441 -8.078 2.603 -0.126 1.00 0.00 C ATOM 273 OG1 THR A 441 -9.046 2.174 0.845 1.00 0.00 O ATOM 274 CG2 THR A 441 -8.480 3.958 -0.688 1.00 0.00 C ATOM 0 H THR A 441 -9.971 1.127 -0.981 1.00 0.00 H new ATOM 0 HA THR A 441 -7.471 2.046 -2.099 1.00 0.00 H new ATOM 0 HB THR A 441 -7.106 2.703 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 441 -8.939 1.214 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 441 -8.568 4.678 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 441 -7.722 4.299 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 441 -9.438 3.870 -1.200 1.00 0.00 H new ATOM 282 N THR A 442 -5.945 0.204 -1.413 1.00 0.00 N ATOM 283 CA THR A 442 -5.092 -0.926 -1.102 1.00 0.00 C ATOM 284 C THR A 442 -4.457 -0.766 0.272 1.00 0.00 C ATOM 285 O THR A 442 -3.673 0.160 0.503 1.00 0.00 O ATOM 286 CB THR A 442 -3.991 -1.093 -2.161 1.00 0.00 C ATOM 287 OG1 THR A 442 -4.583 -1.170 -3.464 1.00 0.00 O ATOM 288 CG2 THR A 442 -3.174 -2.345 -1.900 1.00 0.00 C ATOM 0 H THR A 442 -5.592 0.815 -2.150 1.00 0.00 H new ATOM 0 HA THR A 442 -5.719 -1.818 -1.101 1.00 0.00 H new ATOM 0 HB THR A 442 -3.328 -0.229 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 442 -3.879 -1.275 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.401 -2.441 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.707 -2.277 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 442 -3.826 -3.218 -1.932 1.00 0.00 H new ATOM 296 N ALA A 443 -4.773 -1.689 1.171 1.00 0.00 N ATOM 297 CA ALA A 443 -4.215 -1.686 2.512 1.00 0.00 C ATOM 298 C ALA A 443 -2.808 -2.260 2.520 1.00 0.00 C ATOM 299 O ALA A 443 -2.481 -3.116 3.345 1.00 0.00 O ATOM 300 CB ALA A 443 -5.096 -2.476 3.460 1.00 0.00 C ATOM 0 H ALA A 443 -5.420 -2.456 0.990 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.170 -0.650 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -4.660 -2.461 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -6.090 -2.029 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -5.172 -3.506 3.112 1.00 0.00 H new ATOM 306 N GLU A 444 -1.974 -1.779 1.613 1.00 0.00 N ATOM 307 CA GLU A 444 -0.594 -2.216 1.551 1.00 0.00 C ATOM 308 C GLU A 444 0.106 -1.937 2.866 1.00 0.00 C ATOM 309 O GLU A 444 0.223 -0.787 3.281 1.00 0.00 O ATOM 310 CB GLU A 444 0.153 -1.496 0.423 1.00 0.00 C ATOM 311 CG GLU A 444 -0.063 -2.087 -0.954 1.00 0.00 C ATOM 312 CD GLU A 444 0.542 -3.466 -1.088 1.00 0.00 C ATOM 313 OE1 GLU A 444 1.767 -3.598 -0.891 1.00 0.00 O ATOM 314 OE2 GLU A 444 -0.199 -4.416 -1.403 1.00 0.00 O ATOM 0 H GLU A 444 -2.231 -1.086 0.910 1.00 0.00 H new ATOM 0 HA GLU A 444 -0.590 -3.288 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -0.158 -0.451 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 444 1.220 -1.508 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -1.132 -2.140 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 444 0.374 -1.427 -1.703 1.00 0.00 H new ATOM 321 N LYS A 445 0.623 -2.980 3.484 1.00 0.00 N ATOM 322 CA LYS A 445 1.435 -2.831 4.677 1.00 0.00 C ATOM 323 C LYS A 445 2.638 -1.942 4.359 1.00 0.00 C ATOM 324 O LYS A 445 3.131 -1.195 5.202 1.00 0.00 O ATOM 325 CB LYS A 445 1.909 -4.207 5.143 1.00 0.00 C ATOM 326 CG LYS A 445 2.685 -4.180 6.444 1.00 0.00 C ATOM 327 CD LYS A 445 3.237 -5.552 6.795 1.00 0.00 C ATOM 328 CE LYS A 445 4.221 -6.041 5.744 1.00 0.00 C ATOM 329 NZ LYS A 445 4.666 -7.435 6.004 1.00 0.00 N ATOM 0 H LYS A 445 0.495 -3.945 3.179 1.00 0.00 H new ATOM 0 HA LYS A 445 0.847 -2.369 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 445 1.043 -4.858 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 445 2.535 -4.647 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 445 3.505 -3.467 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 445 2.037 -3.832 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 445 3.731 -5.509 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 445 2.416 -6.263 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 445 3.757 -5.986 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 445 5.088 -5.381 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 5.336 -7.729 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 5.132 -7.483 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 3.842 -8.069 5.997 1.00 0.00 H new ATOM 343 N CYS A 446 3.069 -2.019 3.110 1.00 0.00 N ATOM 344 CA CYS A 446 4.204 -1.255 2.620 1.00 0.00 C ATOM 345 C CYS A 446 3.811 0.195 2.317 1.00 0.00 C ATOM 346 O CYS A 446 4.670 1.066 2.193 1.00 0.00 O ATOM 347 CB CYS A 446 4.737 -1.928 1.357 1.00 0.00 C ATOM 348 SG CYS A 446 4.557 -3.746 1.358 1.00 0.00 S ATOM 0 H CYS A 446 2.639 -2.617 2.404 1.00 0.00 H new ATOM 0 HA CYS A 446 4.975 -1.232 3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 446 4.214 -1.521 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.791 -1.677 1.240 1.00 0.00 H new ATOM 353 N LYS A 447 2.517 0.414 2.092 1.00 0.00 N ATOM 354 CA LYS A 447 2.003 1.718 1.676 1.00 0.00 C ATOM 355 C LYS A 447 2.438 2.847 2.617 1.00 0.00 C ATOM 356 O LYS A 447 2.214 2.786 3.829 1.00 0.00 O ATOM 357 CB LYS A 447 0.475 1.672 1.622 1.00 0.00 C ATOM 358 CG LYS A 447 -0.163 2.836 0.889 1.00 0.00 C ATOM 359 CD LYS A 447 0.005 2.711 -0.615 1.00 0.00 C ATOM 360 CE LYS A 447 -0.675 3.855 -1.349 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.585 3.699 -2.824 1.00 0.00 N ATOM 0 H LYS A 447 1.798 -0.303 2.192 1.00 0.00 H new ATOM 0 HA LYS A 447 2.418 1.930 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.169 0.744 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.089 1.645 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.224 2.883 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 447 0.285 3.770 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.066 2.698 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.413 1.762 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.723 3.905 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.216 4.799 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.061 4.499 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.415 3.677 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.046 2.811 -3.108 1.00 0.00 H new ATOM 375 N GLY A 448 2.909 3.930 2.016 1.00 0.00 N ATOM 376 CA GLY A 448 3.196 5.150 2.746 1.00 0.00 C ATOM 377 C GLY A 448 4.363 5.048 3.708 1.00 0.00 C ATOM 378 O GLY A 448 4.378 5.731 4.735 1.00 0.00 O ATOM 0 H GLY A 448 3.101 3.985 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.400 5.947 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.306 5.442 3.304 1.00 0.00 H new ATOM 382 N LYS A 449 5.372 4.261 3.363 1.00 0.00 N ATOM 383 CA LYS A 449 6.556 4.157 4.194 1.00 0.00 C ATOM 384 C LYS A 449 7.790 4.602 3.426 1.00 0.00 C ATOM 385 O LYS A 449 7.866 4.431 2.209 1.00 0.00 O ATOM 386 CB LYS A 449 6.728 2.729 4.696 1.00 0.00 C ATOM 387 CG LYS A 449 5.527 2.225 5.463 1.00 0.00 C ATOM 388 CD LYS A 449 5.868 1.012 6.295 1.00 0.00 C ATOM 389 CE LYS A 449 6.314 -0.159 5.439 1.00 0.00 C ATOM 390 NZ LYS A 449 6.642 -1.348 6.261 1.00 0.00 N ATOM 0 H LYS A 449 5.392 3.690 2.518 1.00 0.00 H new ATOM 0 HA LYS A 449 6.432 4.815 5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 449 6.913 2.071 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 449 7.609 2.678 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 449 5.150 3.017 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 449 4.728 1.975 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 449 6.659 1.267 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 449 4.998 0.720 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 449 5.525 -0.413 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 449 7.187 0.130 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 6.942 -2.127 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 7.412 -1.113 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.802 -1.640 6.801 1.00 0.00 H new ATOM 404 N GLY A 450 8.745 5.187 4.141 1.00 0.00 N ATOM 405 CA GLY A 450 9.990 5.610 3.523 1.00 0.00 C ATOM 406 C GLY A 450 10.838 4.420 3.132 1.00 0.00 C ATOM 407 O GLY A 450 10.657 3.342 3.686 1.00 0.00 O ATOM 0 H GLY A 450 8.679 5.377 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.775 6.212 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.545 6.244 4.214 1.00 0.00 H new ATOM 411 N GLU A 451 11.720 4.595 2.150 1.00 0.00 N ATOM 412 CA GLU A 451 12.558 3.499 1.651 1.00 0.00 C ATOM 413 C GLU A 451 13.380 2.875 2.771 1.00 0.00 C ATOM 414 O GLU A 451 13.639 1.673 2.766 1.00 0.00 O ATOM 415 CB GLU A 451 13.489 3.994 0.543 1.00 0.00 C ATOM 416 CG GLU A 451 14.348 2.897 -0.068 1.00 0.00 C ATOM 417 CD GLU A 451 15.354 3.422 -1.069 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.159 4.308 -0.702 1.00 0.00 O ATOM 419 OE2 GLU A 451 15.360 2.940 -2.221 1.00 0.00 O ATOM 0 H GLU A 451 11.875 5.487 1.681 1.00 0.00 H new ATOM 0 HA GLU A 451 11.892 2.737 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 451 12.891 4.455 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.139 4.770 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 451 14.876 2.371 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 451 13.702 2.168 -0.558 1.00 0.00 H new ATOM 426 N LYS A 452 13.793 3.697 3.727 1.00 0.00 N ATOM 427 CA LYS A 452 14.575 3.217 4.860 1.00 0.00 C ATOM 428 C LYS A 452 13.824 2.116 5.600 1.00 0.00 C ATOM 429 O LYS A 452 14.408 1.105 5.995 1.00 0.00 O ATOM 430 CB LYS A 452 14.892 4.362 5.820 1.00 0.00 C ATOM 431 CG LYS A 452 15.736 5.462 5.200 1.00 0.00 C ATOM 432 CD LYS A 452 16.015 6.572 6.195 1.00 0.00 C ATOM 433 CE LYS A 452 16.805 7.701 5.562 1.00 0.00 C ATOM 434 NZ LYS A 452 17.077 8.794 6.530 1.00 0.00 N ATOM 0 H LYS A 452 13.600 4.698 3.741 1.00 0.00 H new ATOM 0 HA LYS A 452 15.511 2.811 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 452 13.957 4.792 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.414 3.962 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 452 16.678 5.044 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 452 15.222 5.871 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 452 15.073 6.959 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 452 16.569 6.170 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 452 17.748 7.313 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 452 16.252 8.099 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 17.619 9.547 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 16.177 9.181 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 17.626 8.420 7.330 1.00 0.00 H new ATOM 448 N ASP A 453 12.521 2.299 5.760 1.00 0.00 N ATOM 449 CA ASP A 453 11.698 1.299 6.422 1.00 0.00 C ATOM 450 C ASP A 453 11.115 0.316 5.415 1.00 0.00 C ATOM 451 O ASP A 453 11.160 -0.897 5.629 1.00 0.00 O ATOM 452 CB ASP A 453 10.574 1.957 7.220 1.00 0.00 C ATOM 453 CG ASP A 453 9.718 0.936 7.942 1.00 0.00 C ATOM 454 OD1 ASP A 453 10.274 0.132 8.721 1.00 0.00 O ATOM 455 OD2 ASP A 453 8.490 0.935 7.740 1.00 0.00 O ATOM 0 H ASP A 453 12.014 3.125 5.443 1.00 0.00 H new ATOM 0 HA ASP A 453 12.340 0.750 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 453 11.001 2.650 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.948 2.545 6.548 1.00 0.00 H new ATOM 460 N CYS A 454 10.523 0.841 4.347 1.00 0.00 N ATOM 461 CA CYS A 454 9.891 0.005 3.338 1.00 0.00 C ATOM 462 C CYS A 454 10.917 -0.717 2.478 1.00 0.00 C ATOM 463 O CYS A 454 11.230 -0.280 1.371 1.00 0.00 O ATOM 464 CB CYS A 454 8.957 0.811 2.448 1.00 0.00 C ATOM 465 SG CYS A 454 7.502 -0.162 1.938 1.00 0.00 S ATOM 0 H CYS A 454 10.469 1.842 4.160 1.00 0.00 H new ATOM 0 HA CYS A 454 9.306 -0.739 3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 454 8.629 1.704 2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 454 9.498 1.147 1.563 1.00 0.00 H new ATOM 470 N LYS A 455 11.238 -1.926 2.903 1.00 0.00 N ATOM 471 CA LYS A 455 12.035 -2.858 2.129 1.00 0.00 C ATOM 472 C LYS A 455 11.648 -4.247 2.551 1.00 0.00 C ATOM 473 O LYS A 455 11.378 -4.494 3.731 1.00 0.00 O ATOM 474 CB LYS A 455 13.545 -2.692 2.322 1.00 0.00 C ATOM 475 CG LYS A 455 14.137 -1.423 1.720 1.00 0.00 C ATOM 476 CD LYS A 455 13.880 -1.323 0.219 1.00 0.00 C ATOM 477 CE LYS A 455 14.578 -2.427 -0.561 1.00 0.00 C ATOM 478 NZ LYS A 455 16.053 -2.240 -0.611 1.00 0.00 N ATOM 0 H LYS A 455 10.947 -2.292 3.809 1.00 0.00 H new ATOM 0 HA LYS A 455 11.835 -2.664 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 455 13.763 -2.705 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 455 14.049 -3.553 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 455 13.710 -0.553 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 455 15.211 -1.402 1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 455 12.807 -1.372 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 455 14.223 -0.353 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 455 14.352 -3.390 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 455 14.183 -2.456 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 16.478 -2.988 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 16.271 -1.311 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 16.442 -2.290 0.352 1.00 0.00 H new ATOM 492 N SER A 456 11.464 -5.097 1.579 1.00 0.00 N ATOM 493 CA SER A 456 10.936 -6.410 1.823 1.00 0.00 C ATOM 494 C SER A 456 11.121 -7.269 0.591 1.00 0.00 C ATOM 495 O SER A 456 11.047 -6.767 -0.534 1.00 0.00 O ATOM 496 CB SER A 456 9.453 -6.293 2.209 1.00 0.00 C ATOM 497 OG SER A 456 8.741 -7.490 1.961 1.00 0.00 O ATOM 0 H SER A 456 11.675 -4.900 0.601 1.00 0.00 H new ATOM 0 HA SER A 456 11.470 -6.885 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 456 9.373 -6.037 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 456 8.996 -5.478 1.648 1.00 0.00 H new ATOM 0 HG SER A 456 7.804 -7.373 2.222 1.00 0.00 H new ATOM 503 N PRO A 457 11.281 -8.589 0.772 1.00 0.00 N ATOM 504 CA PRO A 457 11.313 -9.531 -0.339 1.00 0.00 C ATOM 505 C PRO A 457 9.907 -9.715 -0.901 1.00 0.00 C ATOM 506 O PRO A 457 9.561 -10.759 -1.459 1.00 0.00 O ATOM 507 CB PRO A 457 11.824 -10.814 0.307 1.00 0.00 C ATOM 508 CG PRO A 457 11.353 -10.743 1.717 1.00 0.00 C ATOM 509 CD PRO A 457 11.288 -9.279 2.075 1.00 0.00 C ATOM 0 HA PRO A 457 11.935 -9.209 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.429 -11.696 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.911 -10.877 0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 457 10.375 -11.212 1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 457 12.035 -11.275 2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 457 10.392 -9.049 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 457 12.143 -8.979 2.680 1.00 0.00 H new ATOM 517 N ASP A 458 9.100 -8.682 -0.705 1.00 0.00 N ATOM 518 CA ASP A 458 7.721 -8.674 -1.147 1.00 0.00 C ATOM 519 C ASP A 458 7.261 -7.249 -1.443 1.00 0.00 C ATOM 520 O ASP A 458 6.673 -7.007 -2.494 1.00 0.00 O ATOM 521 CB ASP A 458 6.812 -9.323 -0.100 1.00 0.00 C ATOM 522 CG ASP A 458 5.388 -9.493 -0.589 1.00 0.00 C ATOM 523 OD1 ASP A 458 5.190 -10.075 -1.676 1.00 0.00 O ATOM 524 OD2 ASP A 458 4.456 -9.067 0.121 1.00 0.00 O ATOM 0 H ASP A 458 9.388 -7.825 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 458 7.655 -9.257 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 458 7.217 -10.297 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 458 6.812 -8.713 0.803 1.00 0.00 H new ATOM 529 N CYS A 459 7.608 -6.288 -0.575 1.00 0.00 N ATOM 530 CA CYS A 459 7.267 -4.882 -0.847 1.00 0.00 C ATOM 531 C CYS A 459 8.129 -4.336 -1.978 1.00 0.00 C ATOM 532 O CYS A 459 9.323 -4.637 -2.061 1.00 0.00 O ATOM 533 CB CYS A 459 7.417 -3.977 0.387 1.00 0.00 C ATOM 534 SG CYS A 459 6.400 -4.461 1.817 1.00 0.00 S ATOM 0 H CYS A 459 8.110 -6.449 0.298 1.00 0.00 H new ATOM 0 HA CYS A 459 6.216 -4.873 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 459 8.464 -3.970 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 459 7.160 -2.956 0.105 1.00 0.00 H new ATOM 539 N LYS A 460 7.526 -3.563 -2.868 1.00 0.00 N ATOM 540 CA LYS A 460 8.253 -3.017 -3.999 1.00 0.00 C ATOM 541 C LYS A 460 8.362 -1.507 -3.889 1.00 0.00 C ATOM 542 O LYS A 460 7.385 -0.823 -3.568 1.00 0.00 O ATOM 543 CB LYS A 460 7.564 -3.399 -5.305 1.00 0.00 C ATOM 544 CG LYS A 460 8.309 -2.945 -6.546 1.00 0.00 C ATOM 545 CD LYS A 460 7.601 -3.372 -7.822 1.00 0.00 C ATOM 546 CE LYS A 460 6.410 -2.481 -8.154 1.00 0.00 C ATOM 547 NZ LYS A 460 5.280 -2.631 -7.195 1.00 0.00 N ATOM 0 H LYS A 460 6.541 -3.302 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 460 9.259 -3.437 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.446 -4.482 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.563 -2.969 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 460 8.409 -1.860 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 460 9.318 -3.358 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 460 8.309 -3.351 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 460 7.262 -4.403 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 460 6.734 -1.440 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 460 6.059 -2.715 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 4.380 -2.479 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 5.294 -3.588 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 5.376 -1.930 -6.433 1.00 0.00 H new ATOM 561 N TRP A 461 9.541 -0.991 -4.196 1.00 0.00 N ATOM 562 CA TRP A 461 9.768 0.442 -4.188 1.00 0.00 C ATOM 563 C TRP A 461 9.600 0.997 -5.595 1.00 0.00 C ATOM 564 O TRP A 461 10.255 0.540 -6.529 1.00 0.00 O ATOM 565 CB TRP A 461 11.171 0.757 -3.673 1.00 0.00 C ATOM 566 CG TRP A 461 11.359 2.203 -3.347 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.140 3.099 -4.013 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.752 2.916 -2.269 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.048 4.331 -3.414 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.204 4.244 -2.342 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.869 2.564 -1.250 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.797 5.215 -1.435 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.468 3.530 -0.354 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.930 4.844 -0.453 1.00 0.00 C ATOM 0 H TRP A 461 10.357 -1.546 -4.454 1.00 0.00 H new ATOM 0 HA TRP A 461 9.039 0.908 -3.525 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.368 0.160 -2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 461 11.903 0.461 -4.424 1.00 0.00 H new ATOM 0 HD1 TRP A 461 12.741 2.874 -4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.532 5.175 -3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.505 1.551 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.157 6.231 -1.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.784 3.267 0.439 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.593 5.580 0.263 1.00 0.00 H new ATOM 585 N GLU A 462 8.694 1.947 -5.756 1.00 0.00 N ATOM 586 CA GLU A 462 8.430 2.522 -7.068 1.00 0.00 C ATOM 587 C GLU A 462 9.449 3.603 -7.400 1.00 0.00 C ATOM 588 O GLU A 462 9.849 3.770 -8.553 1.00 0.00 O ATOM 589 CB GLU A 462 7.018 3.106 -7.113 1.00 0.00 C ATOM 590 CG GLU A 462 5.930 2.126 -6.702 1.00 0.00 C ATOM 591 CD GLU A 462 5.672 1.041 -7.729 1.00 0.00 C ATOM 592 OE1 GLU A 462 6.321 1.043 -8.795 1.00 0.00 O ATOM 593 OE2 GLU A 462 4.788 0.194 -7.482 1.00 0.00 O ATOM 0 H GLU A 462 8.131 2.336 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 462 8.513 1.729 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 462 6.975 3.976 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 462 6.813 3.457 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 462 6.210 1.661 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 462 5.005 2.675 -6.526 1.00 0.00 H new ATOM 600 N GLY A 463 9.815 4.379 -6.394 1.00 0.00 N ATOM 601 CA GLY A 463 10.744 5.475 -6.590 1.00 0.00 C ATOM 602 C GLY A 463 10.563 6.537 -5.533 1.00 0.00 C ATOM 603 O GLY A 463 11.500 6.887 -4.823 1.00 0.00 O ATOM 0 H GLY A 463 9.483 4.270 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 463 11.767 5.099 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 463 10.593 5.911 -7.578 1.00 0.00 H new ATOM 607 N GLY A 464 9.320 6.952 -5.352 1.00 0.00 N ATOM 608 CA GLY A 464 8.985 7.876 -4.292 1.00 0.00 C ATOM 609 C GLY A 464 7.745 7.423 -3.563 1.00 0.00 C ATOM 610 O GLY A 464 6.971 8.233 -3.051 1.00 0.00 O ATOM 0 H GLY A 464 8.530 6.661 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.817 7.952 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 464 8.826 8.871 -4.707 1.00 0.00 H new ATOM 614 N THR A 465 7.555 6.109 -3.537 1.00 0.00 N ATOM 615 CA THR A 465 6.408 5.500 -2.894 1.00 0.00 C ATOM 616 C THR A 465 6.544 3.979 -2.930 1.00 0.00 C ATOM 617 O THR A 465 7.212 3.427 -3.809 1.00 0.00 O ATOM 618 CB THR A 465 5.080 5.935 -3.559 1.00 0.00 C ATOM 619 OG1 THR A 465 3.969 5.560 -2.736 1.00 0.00 O ATOM 620 CG2 THR A 465 4.921 5.319 -4.945 1.00 0.00 C ATOM 0 H THR A 465 8.196 5.439 -3.963 1.00 0.00 H new ATOM 0 HA THR A 465 6.382 5.840 -1.859 1.00 0.00 H new ATOM 0 HB THR A 465 5.105 7.019 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.134 5.841 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 465 3.978 5.646 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 465 5.746 5.638 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 465 4.925 4.232 -4.863 1.00 0.00 H new ATOM 628 N CYS A 466 6.069 3.336 -1.880 1.00 0.00 N ATOM 629 CA CYS A 466 6.240 1.901 -1.708 1.00 0.00 C ATOM 630 C CYS A 466 4.898 1.192 -1.808 1.00 0.00 C ATOM 631 O CYS A 466 3.925 1.633 -1.191 1.00 0.00 O ATOM 632 CB CYS A 466 6.855 1.644 -0.343 1.00 0.00 C ATOM 633 SG CYS A 466 7.484 -0.036 -0.081 1.00 0.00 S ATOM 0 H CYS A 466 5.556 3.789 -1.124 1.00 0.00 H new ATOM 0 HA CYS A 466 6.892 1.516 -2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.673 2.348 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 466 6.107 1.857 0.420 1.00 0.00 H new ATOM 638 N LYS A 467 4.833 0.112 -2.588 1.00 0.00 N ATOM 639 CA LYS A 467 3.578 -0.610 -2.777 1.00 0.00 C ATOM 640 C LYS A 467 3.752 -1.830 -3.667 1.00 0.00 C ATOM 641 O LYS A 467 4.469 -1.784 -4.669 1.00 0.00 O ATOM 642 CB LYS A 467 2.527 0.314 -3.387 1.00 0.00 C ATOM 643 CG LYS A 467 2.928 0.889 -4.738 1.00 0.00 C ATOM 644 CD LYS A 467 1.902 1.882 -5.253 1.00 0.00 C ATOM 645 CE LYS A 467 2.303 2.437 -6.610 1.00 0.00 C ATOM 646 NZ LYS A 467 2.371 1.372 -7.646 1.00 0.00 N ATOM 0 H LYS A 467 5.628 -0.278 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 467 3.250 -0.951 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 467 1.593 -0.237 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 467 2.332 1.134 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 467 3.897 1.380 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 467 3.044 0.079 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 467 0.929 1.396 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 467 1.795 2.700 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 467 1.585 3.198 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 467 3.273 2.928 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 2.463 1.807 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 3.195 0.763 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 1.503 0.800 -7.613 1.00 0.00 H new ATOM 660 N ASP A 468 3.029 -2.887 -3.312 1.00 0.00 N ATOM 661 CA ASP A 468 2.986 -4.126 -4.081 1.00 0.00 C ATOM 662 C ASP A 468 4.391 -4.627 -4.383 1.00 0.00 C ATOM 663 O ASP A 468 4.759 -4.736 -5.576 1.00 0.00 O ATOM 664 CB ASP A 468 2.187 -3.932 -5.378 1.00 0.00 C ATOM 665 CG ASP A 468 1.790 -5.246 -6.031 1.00 0.00 C ATOM 666 OD1 ASP A 468 1.825 -6.292 -5.355 1.00 0.00 O ATOM 667 OD2 ASP A 468 1.407 -5.234 -7.224 1.00 0.00 O ATOM 668 OXT ASP A 468 5.131 -4.887 -3.418 1.00 0.00 O ATOM 0 H ASP A 468 2.450 -2.908 -2.473 1.00 0.00 H new ATOM 0 HA ASP A 468 2.481 -4.881 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 468 1.289 -3.353 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 468 2.781 -3.348 -6.081 1.00 0.00 H new TER 673 ASP A 468