USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 447 TYR OH : rot 165:sc= -1.49! USER MOD Set 1.2: A 459 LYS NZ :NH3+ 139:sc= -1.8! (180deg=-4.11!) USER MOD Set 2.1: A 436 THR OG1 : rot 180:sc= 0.0586 USER MOD Set 2.2: A 450 ASN : amide:sc= 1.29 K(o=1.3,f=-0.065) USER MOD Set 3.1: A 449 ASN : amide:sc= 0.752 K(o=1.5,f=-8.9!) USER MOD Set 3.2: A 452 THR OG1 : rot 168:sc= 0.736 USER MOD Set 4.1: A 439 LYS NZ :NH3+ -175:sc= 0.551 (180deg=0) USER MOD Set 4.2: A 445 THR OG1 : rot 52:sc= 0.56 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 433 SER OG : rot 28:sc= 0.15 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 51:sc= 0.275 USER MOD Single : A 444 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.03) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 461 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.19) USER MOD Single : A 464 LYS NZ :NH3+ 176:sc= 2.36 (180deg=2.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -15.642 7.016 15.319 1.00 15.00 N ATOM 2 CA GLY A 428 -16.507 7.452 14.195 1.00 15.00 C ATOM 3 C GLY A 428 -15.708 8.006 13.033 1.00 15.00 C ATOM 4 O GLY A 428 -16.102 8.998 12.418 1.00 15.00 O ATOM 0 HA2 GLY A 428 -17.105 6.608 13.852 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -17.203 8.212 14.549 1.00 15.00 H new ATOM 10 N ALA A 429 -14.581 7.376 12.736 1.00 15.00 N ATOM 11 CA ALA A 429 -13.739 7.801 11.631 1.00 15.00 C ATOM 12 C ALA A 429 -13.626 6.691 10.599 1.00 15.00 C ATOM 13 O ALA A 429 -13.017 5.651 10.854 1.00 15.00 O ATOM 14 CB ALA A 429 -12.361 8.204 12.134 1.00 15.00 C ATOM 0 H ALA A 429 -14.229 6.567 13.247 1.00 15.00 H new ATOM 0 HA ALA A 429 -14.198 8.670 11.159 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -11.744 8.519 11.292 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -12.458 9.028 12.841 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -11.892 7.354 12.629 1.00 15.00 H new ATOM 20 N THR A 430 -14.231 6.903 9.441 1.00 15.00 N ATOM 21 CA THR A 430 -14.209 5.911 8.381 1.00 15.00 C ATOM 22 C THR A 430 -12.959 6.049 7.515 1.00 15.00 C ATOM 23 O THR A 430 -12.857 6.949 6.678 1.00 15.00 O ATOM 24 CB THR A 430 -15.471 6.011 7.505 1.00 15.00 C ATOM 25 OG1 THR A 430 -15.840 7.387 7.330 1.00 15.00 O ATOM 26 CG2 THR A 430 -16.626 5.242 8.128 1.00 15.00 C ATOM 0 H THR A 430 -14.744 7.755 9.212 1.00 15.00 H new ATOM 0 HA THR A 430 -14.190 4.930 8.856 1.00 15.00 H new ATOM 0 HB THR A 430 -15.248 5.571 6.533 1.00 15.00 H new ATOM 0 HG1 THR A 430 -16.643 7.442 6.770 1.00 15.00 H new ATOM 0 HG21 THR A 430 -17.506 5.328 7.491 1.00 15.00 H new ATOM 0 HG22 THR A 430 -16.352 4.192 8.229 1.00 15.00 H new ATOM 0 HG23 THR A 430 -16.849 5.655 9.112 1.00 15.00 H new ATOM 34 N ALA A 431 -11.997 5.166 7.737 1.00 15.00 N ATOM 35 CA ALA A 431 -10.777 5.159 6.954 1.00 15.00 C ATOM 36 C ALA A 431 -10.958 4.294 5.717 1.00 15.00 C ATOM 37 O ALA A 431 -10.792 3.075 5.765 1.00 15.00 O ATOM 38 CB ALA A 431 -9.605 4.671 7.793 1.00 15.00 C ATOM 0 H ALA A 431 -12.041 4.444 8.456 1.00 15.00 H new ATOM 0 HA ALA A 431 -10.558 6.178 6.634 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -8.699 4.673 7.188 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -9.471 5.332 8.650 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -9.805 3.658 8.144 1.00 15.00 H new ATOM 44 N VAL A 432 -11.346 4.927 4.621 1.00 15.00 N ATOM 45 CA VAL A 432 -11.583 4.217 3.375 1.00 15.00 C ATOM 46 C VAL A 432 -10.285 4.056 2.595 1.00 15.00 C ATOM 47 O VAL A 432 -9.809 4.995 1.953 1.00 15.00 O ATOM 48 CB VAL A 432 -12.631 4.936 2.496 1.00 15.00 C ATOM 49 CG1 VAL A 432 -12.930 4.130 1.240 1.00 15.00 C ATOM 50 CG2 VAL A 432 -13.908 5.193 3.284 1.00 15.00 C ATOM 0 H VAL A 432 -11.504 5.933 4.570 1.00 15.00 H new ATOM 0 HA VAL A 432 -11.974 3.233 3.635 1.00 15.00 H new ATOM 0 HB VAL A 432 -12.216 5.897 2.192 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -13.670 4.656 0.638 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -12.015 4.004 0.662 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -13.320 3.151 1.520 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -14.633 5.700 2.647 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -14.324 4.244 3.623 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -13.683 5.819 4.147 1.00 15.00 H new ATOM 60 N SER A 433 -9.705 2.873 2.678 1.00 15.00 N ATOM 61 CA SER A 433 -8.488 2.560 1.953 1.00 15.00 C ATOM 62 C SER A 433 -8.422 1.066 1.676 1.00 15.00 C ATOM 63 O SER A 433 -8.473 0.252 2.602 1.00 15.00 O ATOM 64 CB SER A 433 -7.260 3.021 2.749 1.00 15.00 C ATOM 65 OG SER A 433 -7.296 2.532 4.080 1.00 15.00 O ATOM 0 H SER A 433 -10.062 2.106 3.247 1.00 15.00 H new ATOM 0 HA SER A 433 -8.494 3.091 1.001 1.00 15.00 H new ATOM 0 HB2 SER A 433 -6.352 2.673 2.256 1.00 15.00 H new ATOM 0 HB3 SER A 433 -7.219 4.110 2.760 1.00 15.00 H new ATOM 0 HG SER A 433 -7.798 1.691 4.106 1.00 15.00 H new ATOM 71 N GLU A 434 -8.317 0.708 0.408 1.00 15.00 N ATOM 72 CA GLU A 434 -8.285 -0.693 0.017 1.00 15.00 C ATOM 73 C GLU A 434 -6.909 -1.283 0.280 1.00 15.00 C ATOM 74 O GLU A 434 -6.734 -2.503 0.349 1.00 15.00 O ATOM 75 CB GLU A 434 -8.633 -0.842 -1.459 1.00 15.00 C ATOM 76 CG GLU A 434 -8.790 -2.283 -1.893 1.00 15.00 C ATOM 77 CD GLU A 434 -9.934 -2.970 -1.185 1.00 15.00 C ATOM 78 OE1 GLU A 434 -11.071 -2.899 -1.690 1.00 15.00 O ATOM 79 OE2 GLU A 434 -9.700 -3.576 -0.120 1.00 15.00 O ATOM 0 H GLU A 434 -8.252 1.366 -0.369 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.024 -1.231 0.611 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.559 -0.305 -1.663 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -7.853 -0.372 -2.058 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.956 -2.321 -2.970 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.865 -2.824 -1.694 1.00 15.00 H new ATOM 86 N TRP A 435 -5.933 -0.415 0.396 1.00 15.00 N ATOM 87 CA TRP A 435 -4.581 -0.843 0.672 1.00 15.00 C ATOM 88 C TRP A 435 -4.214 -0.624 2.118 1.00 15.00 C ATOM 89 O TRP A 435 -4.692 0.303 2.775 1.00 15.00 O ATOM 90 CB TRP A 435 -3.560 -0.127 -0.184 1.00 15.00 C ATOM 91 CG TRP A 435 -3.793 -0.265 -1.657 1.00 15.00 C ATOM 92 CD1 TRP A 435 -4.765 0.349 -2.396 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.034 -1.057 -2.575 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.654 -0.013 -3.714 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.598 -0.875 -3.851 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.931 -1.898 -2.443 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -3.098 -1.507 -4.984 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -1.436 -2.527 -3.566 1.00 15.00 C ATOM 99 CH2 TRP A 435 -2.017 -2.329 -4.824 1.00 15.00 C ATOM 0 H TRP A 435 -6.049 0.594 0.304 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.561 -1.907 0.437 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.562 0.932 0.076 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.568 -0.512 0.054 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.512 1.021 -2.000 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.259 0.308 -4.470 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.472 -2.055 -1.478 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -3.547 -1.354 -5.954 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.584 -3.185 -3.473 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.604 -2.835 -5.684 1.00 15.00 H new ATOM 110 N THR A 436 -3.345 -1.480 2.582 1.00 15.00 N ATOM 111 CA THR A 436 -2.828 -1.427 3.921 1.00 15.00 C ATOM 112 C THR A 436 -1.303 -1.375 3.877 1.00 15.00 C ATOM 113 O THR A 436 -0.685 -2.107 3.102 1.00 15.00 O ATOM 114 CB THR A 436 -3.282 -2.686 4.646 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.717 -2.750 4.652 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.752 -2.745 6.069 1.00 15.00 C ATOM 0 H THR A 436 -2.969 -2.249 2.028 1.00 15.00 H new ATOM 0 HA THR A 436 -3.192 -0.540 4.439 1.00 15.00 H new ATOM 0 HB THR A 436 -2.876 -3.544 4.110 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.006 -3.562 5.118 1.00 15.00 H new ATOM 0 HG21 THR A 436 -3.100 -3.659 6.549 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.662 -2.736 6.052 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.113 -1.882 6.628 1.00 15.00 H new ATOM 124 N GLU A 437 -0.697 -0.515 4.680 1.00 15.00 N ATOM 125 CA GLU A 437 0.748 -0.364 4.653 1.00 15.00 C ATOM 126 C GLU A 437 1.381 -0.774 5.981 1.00 15.00 C ATOM 127 O GLU A 437 0.916 -0.402 7.059 1.00 15.00 O ATOM 128 CB GLU A 437 1.145 1.076 4.294 1.00 15.00 C ATOM 129 CG GLU A 437 0.847 2.118 5.362 1.00 15.00 C ATOM 130 CD GLU A 437 -0.627 2.447 5.504 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.361 1.674 6.159 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.051 3.493 4.977 1.00 15.00 O ATOM 0 H GLU A 437 -1.178 0.083 5.352 1.00 15.00 H new ATOM 0 HA GLU A 437 1.128 -1.032 3.880 1.00 15.00 H new ATOM 0 HB2 GLU A 437 2.213 1.098 4.077 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.627 1.360 3.378 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.223 1.760 6.320 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.392 3.032 5.127 1.00 15.00 H new ATOM 139 N TYR A 438 2.449 -1.547 5.883 1.00 15.00 N ATOM 140 CA TYR A 438 3.245 -1.938 7.042 1.00 15.00 C ATOM 141 C TYR A 438 4.704 -1.595 6.773 1.00 15.00 C ATOM 142 O TYR A 438 5.189 -1.809 5.664 1.00 15.00 O ATOM 143 CB TYR A 438 3.113 -3.441 7.313 1.00 15.00 C ATOM 144 CG TYR A 438 1.713 -3.895 7.668 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.146 -3.570 8.895 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.964 -4.660 6.782 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.127 -3.994 9.228 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.310 -5.085 7.106 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.852 -4.750 8.330 1.00 15.00 C ATOM 150 OH TYR A 438 -2.122 -5.172 8.658 1.00 15.00 O ATOM 0 H TYR A 438 2.792 -1.923 4.999 1.00 15.00 H new ATOM 0 HA TYR A 438 2.884 -1.400 7.919 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.445 -3.987 6.430 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.786 -3.711 8.127 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.709 -2.976 9.600 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.385 -4.927 5.824 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.552 -3.735 10.186 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.879 -5.677 6.404 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.495 -5.693 7.916 1.00 15.00 H new ATOM 160 N LYS A 439 5.405 -1.071 7.773 1.00 15.00 N ATOM 161 CA LYS A 439 6.799 -0.681 7.583 1.00 15.00 C ATOM 162 C LYS A 439 7.715 -1.861 7.907 1.00 15.00 C ATOM 163 O LYS A 439 7.762 -2.347 9.039 1.00 15.00 O ATOM 164 CB LYS A 439 7.156 0.548 8.439 1.00 15.00 C ATOM 165 CG LYS A 439 8.456 1.249 8.022 1.00 15.00 C ATOM 166 CD LYS A 439 8.273 2.180 6.812 1.00 15.00 C ATOM 167 CE LYS A 439 7.493 3.434 7.154 1.00 15.00 C ATOM 168 NZ LYS A 439 7.263 4.288 5.959 1.00 15.00 N ATOM 0 H LYS A 439 5.038 -0.908 8.711 1.00 15.00 H new ATOM 0 HA LYS A 439 6.943 -0.401 6.539 1.00 15.00 H new ATOM 0 HB2 LYS A 439 6.337 1.265 8.385 1.00 15.00 H new ATOM 0 HB3 LYS A 439 7.241 0.239 9.481 1.00 15.00 H new ATOM 0 HG2 LYS A 439 8.837 1.827 8.864 1.00 15.00 H new ATOM 0 HG3 LYS A 439 9.208 0.497 7.785 1.00 15.00 H new ATOM 0 HD2 LYS A 439 9.252 2.460 6.423 1.00 15.00 H new ATOM 0 HD3 LYS A 439 7.757 1.641 6.018 1.00 15.00 H new ATOM 0 HE2 LYS A 439 6.534 3.157 7.592 1.00 15.00 H new ATOM 0 HE3 LYS A 439 8.035 4.004 7.909 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 6.802 5.174 6.249 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 8.174 4.504 5.506 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 6.652 3.784 5.285 1.00 15.00 H new ATOM 182 N THR A 440 8.426 -2.304 6.889 1.00 15.00 N ATOM 183 CA THR A 440 9.318 -3.448 6.954 1.00 15.00 C ATOM 184 C THR A 440 10.718 -3.010 7.360 1.00 15.00 C ATOM 185 O THR A 440 11.081 -1.855 7.151 1.00 15.00 O ATOM 186 CB THR A 440 9.363 -4.178 5.599 1.00 15.00 C ATOM 187 OG1 THR A 440 9.253 -3.233 4.532 1.00 15.00 O ATOM 188 CG2 THR A 440 8.233 -5.185 5.487 1.00 15.00 C ATOM 0 H THR A 440 8.399 -1.867 5.968 1.00 15.00 H new ATOM 0 HA THR A 440 8.935 -4.136 7.707 1.00 15.00 H new ATOM 0 HB THR A 440 10.314 -4.706 5.532 1.00 15.00 H new ATOM 0 HG1 THR A 440 9.905 -2.513 4.664 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.287 -5.687 4.521 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.322 -5.923 6.285 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.276 -4.670 5.575 1.00 15.00 H new ATOM 196 N ALA A 441 11.458 -3.904 8.023 1.00 15.00 N ATOM 197 CA ALA A 441 12.816 -3.615 8.520 1.00 15.00 C ATOM 198 C ALA A 441 13.780 -3.090 7.437 1.00 15.00 C ATOM 199 O ALA A 441 14.952 -2.827 7.720 1.00 15.00 O ATOM 200 CB ALA A 441 13.401 -4.860 9.171 1.00 15.00 C ATOM 0 H ALA A 441 11.137 -4.849 8.233 1.00 15.00 H new ATOM 0 HA ALA A 441 12.710 -2.812 9.249 1.00 15.00 H new ATOM 0 HB1 ALA A 441 14.404 -4.642 9.537 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.769 -5.166 10.005 1.00 15.00 H new ATOM 0 HB3 ALA A 441 13.449 -5.665 8.438 1.00 15.00 H new ATOM 206 N ASP A 442 13.306 -2.949 6.204 1.00 15.00 N ATOM 207 CA ASP A 442 14.068 -2.266 5.160 1.00 15.00 C ATOM 208 C ASP A 442 13.944 -0.757 5.365 1.00 15.00 C ATOM 209 O ASP A 442 14.580 0.042 4.678 1.00 15.00 O ATOM 210 CB ASP A 442 13.552 -2.639 3.768 1.00 15.00 C ATOM 211 CG ASP A 442 12.315 -1.853 3.377 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.358 -1.812 4.172 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.300 -1.275 2.268 1.00 15.00 O ATOM 0 H ASP A 442 12.397 -3.298 5.901 1.00 15.00 H new ATOM 0 HA ASP A 442 15.112 -2.573 5.228 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.338 -2.463 3.033 1.00 15.00 H new ATOM 0 HB3 ASP A 442 13.325 -3.705 3.742 1.00 15.00 H new ATOM 218 N GLY A 443 13.100 -0.393 6.320 1.00 15.00 N ATOM 219 CA GLY A 443 12.903 0.987 6.681 1.00 15.00 C ATOM 220 C GLY A 443 11.797 1.666 5.903 1.00 15.00 C ATOM 221 O GLY A 443 11.711 2.897 5.912 1.00 15.00 O ATOM 0 H GLY A 443 12.538 -1.051 6.860 1.00 15.00 H new ATOM 0 HA2 GLY A 443 12.676 1.046 7.745 1.00 15.00 H new ATOM 0 HA3 GLY A 443 13.834 1.531 6.523 1.00 15.00 H new ATOM 225 N LYS A 444 10.932 0.900 5.230 1.00 15.00 N ATOM 226 CA LYS A 444 9.777 1.522 4.591 1.00 15.00 C ATOM 227 C LYS A 444 8.549 0.613 4.553 1.00 15.00 C ATOM 228 O LYS A 444 8.579 -0.541 4.947 1.00 15.00 O ATOM 229 CB LYS A 444 9.968 1.833 3.189 1.00 15.00 C ATOM 230 CG LYS A 444 11.387 2.146 2.739 1.00 15.00 C ATOM 231 CD LYS A 444 11.426 2.595 1.285 1.00 15.00 C ATOM 232 CE LYS A 444 10.865 1.542 0.342 1.00 15.00 C ATOM 233 NZ LYS A 444 11.701 0.311 0.303 1.00 15.00 N ATOM 0 H LYS A 444 11.006 -0.111 5.118 1.00 15.00 H new ATOM 0 HA LYS A 444 9.644 2.413 5.204 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.605 0.989 2.602 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.338 2.688 2.943 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.807 2.927 3.373 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.013 1.262 2.865 1.00 15.00 H new ATOM 0 HD2 LYS A 444 10.856 3.518 1.176 1.00 15.00 H new ATOM 0 HD3 LYS A 444 12.455 2.821 1.004 1.00 15.00 H new ATOM 0 HE2 LYS A 444 9.854 1.281 0.654 1.00 15.00 H new ATOM 0 HE3 LYS A 444 10.791 1.960 -0.662 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 11.306 -0.355 -0.391 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 12.673 0.560 0.029 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 11.709 -0.133 1.243 1.00 15.00 H new ATOM 247 N THR A 445 7.463 1.204 4.058 1.00 15.00 N ATOM 248 CA THR A 445 6.159 0.576 4.031 1.00 15.00 C ATOM 249 C THR A 445 5.844 -0.013 2.671 1.00 15.00 C ATOM 250 O THR A 445 6.171 0.565 1.635 1.00 15.00 O ATOM 251 CB THR A 445 5.061 1.589 4.376 1.00 15.00 C ATOM 252 OG1 THR A 445 5.465 2.904 3.955 1.00 15.00 O ATOM 253 CG2 THR A 445 4.753 1.606 5.861 1.00 15.00 C ATOM 0 H THR A 445 7.472 2.144 3.661 1.00 15.00 H new ATOM 0 HA THR A 445 6.185 -0.223 4.772 1.00 15.00 H new ATOM 0 HB THR A 445 4.155 1.287 3.850 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.738 2.877 3.014 1.00 15.00 H new ATOM 0 HG21 THR A 445 3.970 2.337 6.062 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.416 0.618 6.174 1.00 15.00 H new ATOM 0 HG23 THR A 445 5.652 1.875 6.416 1.00 15.00 H new ATOM 261 N TYR A 446 5.175 -1.144 2.696 1.00 15.00 N ATOM 262 CA TYR A 446 4.750 -1.813 1.482 1.00 15.00 C ATOM 263 C TYR A 446 3.230 -1.900 1.490 1.00 15.00 C ATOM 264 O TYR A 446 2.622 -2.115 2.544 1.00 15.00 O ATOM 265 CB TYR A 446 5.388 -3.206 1.376 1.00 15.00 C ATOM 266 CG TYR A 446 4.821 -4.232 2.335 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.259 -4.301 3.650 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.846 -5.133 1.922 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.743 -5.235 4.526 1.00 15.00 C ATOM 270 CE2 TYR A 446 3.325 -6.070 2.792 1.00 15.00 C ATOM 271 CZ TYR A 446 3.776 -6.117 4.093 1.00 15.00 C ATOM 272 OH TYR A 446 3.260 -7.049 4.963 1.00 15.00 O ATOM 0 H TYR A 446 4.910 -1.627 3.555 1.00 15.00 H new ATOM 0 HA TYR A 446 5.077 -1.246 0.610 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.263 -3.572 0.357 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.460 -3.115 1.553 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.016 -3.612 3.994 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.490 -5.099 0.903 1.00 15.00 H new ATOM 0 HE1 TYR A 446 5.095 -5.275 5.546 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.568 -6.762 2.454 1.00 15.00 H new ATOM 0 HH TYR A 446 2.588 -7.592 4.500 1.00 15.00 H new ATOM 282 N TYR A 447 2.621 -1.736 0.333 1.00 15.00 N ATOM 283 CA TYR A 447 1.176 -1.625 0.256 1.00 15.00 C ATOM 284 C TYR A 447 0.537 -2.933 -0.188 1.00 15.00 C ATOM 285 O TYR A 447 0.858 -3.475 -1.246 1.00 15.00 O ATOM 286 CB TYR A 447 0.800 -0.477 -0.681 1.00 15.00 C ATOM 287 CG TYR A 447 1.369 0.844 -0.218 1.00 15.00 C ATOM 288 CD1 TYR A 447 0.900 1.441 0.941 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.388 1.475 -0.918 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.424 2.635 1.395 1.00 15.00 C ATOM 291 CE2 TYR A 447 2.917 2.672 -0.476 1.00 15.00 C ATOM 292 CZ TYR A 447 2.434 3.247 0.681 1.00 15.00 C ATOM 293 OH TYR A 447 2.965 4.437 1.122 1.00 15.00 O ATOM 0 H TYR A 447 3.101 -1.677 -0.565 1.00 15.00 H new ATOM 0 HA TYR A 447 0.790 -1.409 1.252 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.163 -0.696 -1.685 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.286 -0.402 -0.744 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.109 0.963 1.500 1.00 15.00 H new ATOM 0 HD2 TYR A 447 2.773 1.024 -1.821 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.047 3.086 2.301 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.705 3.156 -1.034 1.00 15.00 H new ATOM 0 HH TYR A 447 3.810 4.611 0.657 1.00 15.00 H new ATOM 303 N TYR A 448 -0.362 -3.433 0.645 1.00 15.00 N ATOM 304 CA TYR A 448 -1.093 -4.657 0.360 1.00 15.00 C ATOM 305 C TYR A 448 -2.536 -4.335 -0.013 1.00 15.00 C ATOM 306 O TYR A 448 -3.257 -3.702 0.759 1.00 15.00 O ATOM 307 CB TYR A 448 -1.047 -5.580 1.583 1.00 15.00 C ATOM 308 CG TYR A 448 -1.917 -6.816 1.473 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.506 -7.923 0.739 1.00 15.00 C ATOM 310 CD2 TYR A 448 -3.147 -6.878 2.119 1.00 15.00 C ATOM 311 CE1 TYR A 448 -2.296 -9.052 0.651 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.942 -8.004 2.033 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.512 -9.088 1.299 1.00 15.00 C ATOM 314 OH TYR A 448 -4.303 -10.211 1.213 1.00 15.00 O ATOM 0 H TYR A 448 -0.605 -3.002 1.537 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.627 -5.165 -0.484 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -0.016 -5.891 1.748 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.354 -5.013 2.462 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -0.554 -7.899 0.230 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.486 -6.031 2.698 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -1.962 -9.904 0.077 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.896 -8.035 2.538 1.00 15.00 H new ATOM 0 HH TYR A 448 -5.125 -10.072 1.728 1.00 15.00 H new ATOM 324 N ASN A 449 -2.941 -4.758 -1.201 1.00 15.00 N ATOM 325 CA ASN A 449 -4.312 -4.578 -1.654 1.00 15.00 C ATOM 326 C ASN A 449 -5.143 -5.775 -1.247 1.00 15.00 C ATOM 327 O ASN A 449 -4.813 -6.918 -1.600 1.00 15.00 O ATOM 328 CB ASN A 449 -4.383 -4.395 -3.170 1.00 15.00 C ATOM 329 CG ASN A 449 -5.795 -4.109 -3.646 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.557 -5.022 -3.965 1.00 15.00 O ATOM 331 ND2 ASN A 449 -6.163 -2.838 -3.687 1.00 15.00 N ATOM 0 H ASN A 449 -2.336 -5.231 -1.872 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.705 -3.675 -1.187 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.728 -3.576 -3.467 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -4.011 -5.294 -3.661 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -7.105 -2.589 -3.990 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.505 -2.108 -3.415 1.00 15.00 H new ATOM 338 N ASN A 450 -6.234 -5.496 -0.543 1.00 15.00 N ATOM 339 CA ASN A 450 -7.058 -6.524 0.087 1.00 15.00 C ATOM 340 C ASN A 450 -7.988 -7.222 -0.903 1.00 15.00 C ATOM 341 O ASN A 450 -8.707 -8.149 -0.532 1.00 15.00 O ATOM 342 CB ASN A 450 -7.882 -5.906 1.222 1.00 15.00 C ATOM 343 CG ASN A 450 -7.034 -5.494 2.409 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.810 -6.280 3.329 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.563 -4.254 2.408 1.00 15.00 N ATOM 0 H ASN A 450 -6.574 -4.546 -0.392 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.380 -7.281 0.482 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.416 -5.035 0.844 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.634 -6.623 1.551 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -5.994 -3.924 3.188 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.770 -3.631 1.628 1.00 15.00 H new ATOM 352 N ARG A 451 -7.984 -6.780 -2.156 1.00 15.00 N ATOM 353 CA ARG A 451 -8.799 -7.420 -3.183 1.00 15.00 C ATOM 354 C ARG A 451 -7.975 -8.432 -3.964 1.00 15.00 C ATOM 355 O ARG A 451 -8.328 -9.605 -4.050 1.00 15.00 O ATOM 356 CB ARG A 451 -9.379 -6.389 -4.153 1.00 15.00 C ATOM 357 CG ARG A 451 -10.351 -5.421 -3.511 1.00 15.00 C ATOM 358 CD ARG A 451 -10.870 -4.407 -4.518 1.00 15.00 C ATOM 359 NE ARG A 451 -9.791 -3.618 -5.121 1.00 15.00 N ATOM 360 CZ ARG A 451 -9.792 -2.283 -5.175 1.00 15.00 C ATOM 361 NH1 ARG A 451 -10.778 -1.598 -4.613 1.00 15.00 N ATOM 362 NH2 ARG A 451 -8.797 -1.635 -5.772 1.00 15.00 N ATOM 0 H ARG A 451 -7.431 -5.988 -2.483 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.620 -7.929 -2.678 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -8.561 -5.824 -4.600 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -9.885 -6.912 -4.964 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -11.188 -5.973 -3.084 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -9.859 -4.901 -2.689 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -11.419 -4.927 -5.303 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -11.575 -3.737 -4.025 1.00 15.00 H new ATOM 0 HE ARG A 451 -8.996 -4.116 -5.521 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -11.536 -2.090 -4.139 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -10.779 -0.579 -4.654 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -8.028 -2.157 -6.192 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -8.803 -0.616 -5.810 1.00 15.00 H new ATOM 376 N THR A 452 -6.878 -7.966 -4.535 1.00 15.00 N ATOM 377 CA THR A 452 -6.037 -8.803 -5.370 1.00 15.00 C ATOM 378 C THR A 452 -4.961 -9.514 -4.553 1.00 15.00 C ATOM 379 O THR A 452 -4.157 -10.269 -5.102 1.00 15.00 O ATOM 380 CB THR A 452 -5.386 -7.964 -6.481 1.00 15.00 C ATOM 381 OG1 THR A 452 -4.935 -6.717 -5.940 1.00 15.00 O ATOM 382 CG2 THR A 452 -6.369 -7.700 -7.609 1.00 15.00 C ATOM 0 H THR A 452 -6.548 -7.006 -4.434 1.00 15.00 H new ATOM 0 HA THR A 452 -6.673 -9.565 -5.820 1.00 15.00 H new ATOM 0 HB THR A 452 -4.540 -8.522 -6.882 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.353 -6.270 -6.589 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.884 -7.104 -8.382 1.00 15.00 H new ATOM 0 HG22 THR A 452 -6.698 -8.648 -8.034 1.00 15.00 H new ATOM 0 HG23 THR A 452 -7.231 -7.158 -7.221 1.00 15.00 H new ATOM 390 N GLU A 453 -4.954 -9.256 -3.241 1.00 15.00 N ATOM 391 CA GLU A 453 -4.029 -9.910 -2.312 1.00 15.00 C ATOM 392 C GLU A 453 -2.579 -9.614 -2.685 1.00 15.00 C ATOM 393 O GLU A 453 -1.680 -10.417 -2.425 1.00 15.00 O ATOM 394 CB GLU A 453 -4.270 -11.421 -2.309 1.00 15.00 C ATOM 395 CG GLU A 453 -5.667 -11.817 -1.860 1.00 15.00 C ATOM 396 CD GLU A 453 -5.936 -13.295 -2.046 1.00 15.00 C ATOM 397 OE1 GLU A 453 -5.306 -14.113 -1.340 1.00 15.00 O ATOM 398 OE2 GLU A 453 -6.774 -13.650 -2.903 1.00 15.00 O ATOM 0 H GLU A 453 -5.586 -8.591 -2.796 1.00 15.00 H new ATOM 0 HA GLU A 453 -4.213 -9.514 -1.313 1.00 15.00 H new ATOM 0 HB2 GLU A 453 -4.097 -11.809 -3.313 1.00 15.00 H new ATOM 0 HB3 GLU A 453 -3.539 -11.895 -1.653 1.00 15.00 H new ATOM 0 HG2 GLU A 453 -5.795 -11.557 -0.809 1.00 15.00 H new ATOM 0 HG3 GLU A 453 -6.403 -11.243 -2.423 1.00 15.00 H new ATOM 405 N GLU A 454 -2.341 -8.430 -3.226 1.00 15.00 N ATOM 406 CA GLU A 454 -1.027 -8.120 -3.784 1.00 15.00 C ATOM 407 C GLU A 454 -0.275 -7.130 -2.908 1.00 15.00 C ATOM 408 O GLU A 454 -0.860 -6.199 -2.366 1.00 15.00 O ATOM 409 CB GLU A 454 -1.157 -7.571 -5.205 1.00 15.00 C ATOM 410 CG GLU A 454 -1.860 -6.230 -5.293 1.00 15.00 C ATOM 411 CD GLU A 454 -1.883 -5.687 -6.703 1.00 15.00 C ATOM 412 OE1 GLU A 454 -0.876 -5.089 -7.128 1.00 15.00 O ATOM 413 OE2 GLU A 454 -2.905 -5.868 -7.399 1.00 15.00 O ATOM 0 H GLU A 454 -3.025 -7.676 -3.292 1.00 15.00 H new ATOM 0 HA GLU A 454 -0.457 -9.048 -3.817 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -0.161 -7.475 -5.638 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -1.701 -8.294 -5.813 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -2.882 -6.333 -4.929 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -1.359 -5.516 -4.639 1.00 15.00 H new ATOM 420 N SER A 455 1.026 -7.330 -2.786 1.00 15.00 N ATOM 421 CA SER A 455 1.862 -6.437 -2.007 1.00 15.00 C ATOM 422 C SER A 455 2.905 -5.768 -2.902 1.00 15.00 C ATOM 423 O SER A 455 3.807 -6.421 -3.427 1.00 15.00 O ATOM 424 CB SER A 455 2.519 -7.211 -0.860 1.00 15.00 C ATOM 425 OG SER A 455 2.940 -8.500 -1.286 1.00 15.00 O ATOM 0 H SER A 455 1.526 -8.106 -3.219 1.00 15.00 H new ATOM 0 HA SER A 455 1.245 -5.649 -1.576 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.375 -6.652 -0.484 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.815 -7.310 -0.034 1.00 15.00 H new ATOM 0 HG SER A 455 3.357 -8.972 -0.536 1.00 15.00 H new ATOM 431 N THR A 456 2.765 -4.466 -3.085 1.00 15.00 N ATOM 432 CA THR A 456 3.622 -3.717 -3.989 1.00 15.00 C ATOM 433 C THR A 456 4.148 -2.461 -3.299 1.00 15.00 C ATOM 434 O THR A 456 3.505 -1.924 -2.392 1.00 15.00 O ATOM 435 CB THR A 456 2.867 -3.335 -5.287 1.00 15.00 C ATOM 436 OG1 THR A 456 3.768 -2.802 -6.267 1.00 15.00 O ATOM 437 CG2 THR A 456 1.780 -2.311 -5.010 1.00 15.00 C ATOM 0 H THR A 456 2.058 -3.901 -2.614 1.00 15.00 H new ATOM 0 HA THR A 456 4.464 -4.354 -4.261 1.00 15.00 H new ATOM 0 HB THR A 456 2.411 -4.247 -5.671 1.00 15.00 H new ATOM 0 HG1 THR A 456 3.269 -2.570 -7.078 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.268 -2.063 -5.940 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.063 -2.724 -4.300 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.227 -1.410 -4.591 1.00 15.00 H new ATOM 445 N TRP A 457 5.336 -2.026 -3.693 1.00 15.00 N ATOM 446 CA TRP A 457 5.917 -0.810 -3.141 1.00 15.00 C ATOM 447 C TRP A 457 5.403 0.420 -3.881 1.00 15.00 C ATOM 448 O TRP A 457 5.679 1.555 -3.488 1.00 15.00 O ATOM 449 CB TRP A 457 7.446 -0.853 -3.194 1.00 15.00 C ATOM 450 CG TRP A 457 8.037 -1.949 -2.358 1.00 15.00 C ATOM 451 CD1 TRP A 457 8.326 -3.227 -2.742 1.00 15.00 C ATOM 452 CD2 TRP A 457 8.360 -1.867 -0.970 1.00 15.00 C ATOM 453 NE1 TRP A 457 8.850 -3.930 -1.682 1.00 15.00 N ATOM 454 CE2 TRP A 457 8.875 -3.116 -0.580 1.00 15.00 C ATOM 455 CE3 TRP A 457 8.274 -0.849 -0.024 1.00 15.00 C ATOM 456 CZ2 TRP A 457 9.301 -3.367 0.724 1.00 15.00 C ATOM 457 CZ3 TRP A 457 8.691 -1.105 1.262 1.00 15.00 C ATOM 458 CH2 TRP A 457 9.197 -2.345 1.628 1.00 15.00 C ATOM 0 H TRP A 457 5.915 -2.494 -4.390 1.00 15.00 H new ATOM 0 HA TRP A 457 5.612 -0.745 -2.097 1.00 15.00 H new ATOM 0 HB2 TRP A 457 7.763 -0.983 -4.229 1.00 15.00 H new ATOM 0 HB3 TRP A 457 7.842 0.105 -2.857 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.167 -3.627 -3.732 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.168 -4.899 -1.712 1.00 15.00 H new ATOM 0 HE3 TRP A 457 7.888 0.123 -0.294 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 9.697 -4.330 1.009 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 8.623 -0.323 2.004 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.515 -2.506 2.647 1.00 15.00 H new ATOM 469 N GLU A 458 4.655 0.188 -4.950 1.00 15.00 N ATOM 470 CA GLU A 458 4.047 1.270 -5.708 1.00 15.00 C ATOM 471 C GLU A 458 2.849 1.819 -4.945 1.00 15.00 C ATOM 472 O GLU A 458 1.919 1.079 -4.619 1.00 15.00 O ATOM 473 CB GLU A 458 3.616 0.768 -7.091 1.00 15.00 C ATOM 474 CG GLU A 458 2.966 1.832 -7.966 1.00 15.00 C ATOM 475 CD GLU A 458 3.863 3.031 -8.198 1.00 15.00 C ATOM 476 OE1 GLU A 458 4.872 2.896 -8.922 1.00 15.00 O ATOM 477 OE2 GLU A 458 3.559 4.117 -7.664 1.00 15.00 O ATOM 0 H GLU A 458 4.454 -0.744 -5.313 1.00 15.00 H new ATOM 0 HA GLU A 458 4.777 2.068 -5.843 1.00 15.00 H new ATOM 0 HB2 GLU A 458 4.489 0.371 -7.609 1.00 15.00 H new ATOM 0 HB3 GLU A 458 2.917 -0.059 -6.964 1.00 15.00 H new ATOM 0 HG2 GLU A 458 2.700 1.392 -8.927 1.00 15.00 H new ATOM 0 HG3 GLU A 458 2.039 2.163 -7.499 1.00 15.00 H new ATOM 484 N LYS A 459 2.876 3.116 -4.659 1.00 15.00 N ATOM 485 CA LYS A 459 1.820 3.742 -3.882 1.00 15.00 C ATOM 486 C LYS A 459 0.516 3.748 -4.670 1.00 15.00 C ATOM 487 O LYS A 459 0.455 4.284 -5.775 1.00 15.00 O ATOM 488 CB LYS A 459 2.213 5.170 -3.485 1.00 15.00 C ATOM 489 CG LYS A 459 1.260 5.802 -2.480 1.00 15.00 C ATOM 490 CD LYS A 459 1.802 7.107 -1.907 1.00 15.00 C ATOM 491 CE LYS A 459 2.903 6.879 -0.872 1.00 15.00 C ATOM 492 NZ LYS A 459 4.192 6.451 -1.481 1.00 15.00 N ATOM 0 H LYS A 459 3.618 3.751 -4.954 1.00 15.00 H new ATOM 0 HA LYS A 459 1.674 3.162 -2.971 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.218 5.158 -3.064 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.250 5.791 -4.380 1.00 15.00 H new ATOM 0 HG2 LYS A 459 0.301 5.991 -2.962 1.00 15.00 H new ATOM 0 HG3 LYS A 459 1.076 5.100 -1.667 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.192 7.722 -2.718 1.00 15.00 H new ATOM 0 HD3 LYS A 459 0.986 7.665 -1.448 1.00 15.00 H new ATOM 0 HE2 LYS A 459 3.061 7.799 -0.309 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.574 6.122 -0.160 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 4.979 6.937 -1.005 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 4.303 5.423 -1.372 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 4.196 6.694 -2.492 1.00 15.00 H new ATOM 506 N PRO A 460 -0.537 3.136 -4.106 1.00 15.00 N ATOM 507 CA PRO A 460 -1.863 3.039 -4.728 1.00 15.00 C ATOM 508 C PRO A 460 -2.334 4.351 -5.342 1.00 15.00 C ATOM 509 O PRO A 460 -2.053 5.429 -4.817 1.00 15.00 O ATOM 510 CB PRO A 460 -2.784 2.663 -3.561 1.00 15.00 C ATOM 511 CG PRO A 460 -1.927 2.616 -2.335 1.00 15.00 C ATOM 512 CD PRO A 460 -0.516 2.466 -2.807 1.00 15.00 C ATOM 0 HA PRO A 460 -1.856 2.322 -5.549 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.583 3.396 -3.447 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -3.259 1.698 -3.738 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.044 3.525 -1.745 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.212 1.782 -1.694 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.192 2.933 -2.122 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -0.228 1.418 -2.897 1.00 15.00 H new ATOM 520 N GLN A 461 -3.082 4.249 -6.436 1.00 15.00 N ATOM 521 CA GLN A 461 -3.638 5.420 -7.103 1.00 15.00 C ATOM 522 C GLN A 461 -4.510 6.212 -6.142 1.00 15.00 C ATOM 523 O GLN A 461 -4.586 7.437 -6.207 1.00 15.00 O ATOM 524 CB GLN A 461 -4.476 4.992 -8.303 1.00 15.00 C ATOM 525 CG GLN A 461 -4.850 6.135 -9.237 1.00 15.00 C ATOM 526 CD GLN A 461 -3.642 6.860 -9.799 1.00 15.00 C ATOM 527 OE1 GLN A 461 -3.107 6.483 -10.840 1.00 15.00 O ATOM 528 NE2 GLN A 461 -3.213 7.916 -9.122 1.00 15.00 N ATOM 0 H GLN A 461 -3.318 3.362 -6.881 1.00 15.00 H new ATOM 0 HA GLN A 461 -2.812 6.047 -7.440 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -3.925 4.240 -8.868 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.389 4.516 -7.945 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.447 5.744 -10.060 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.476 6.847 -8.699 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -3.685 8.197 -8.262 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -2.411 8.448 -9.461 1.00 15.00 H new ATOM 537 N GLU A 462 -5.168 5.482 -5.260 1.00 15.00 N ATOM 538 CA GLU A 462 -6.041 6.077 -4.253 1.00 15.00 C ATOM 539 C GLU A 462 -5.243 6.728 -3.118 1.00 15.00 C ATOM 540 O GLU A 462 -5.822 7.318 -2.204 1.00 15.00 O ATOM 541 CB GLU A 462 -7.004 5.021 -3.686 1.00 15.00 C ATOM 542 CG GLU A 462 -6.323 3.835 -3.019 1.00 15.00 C ATOM 543 CD GLU A 462 -7.317 2.875 -2.388 1.00 15.00 C ATOM 544 OE1 GLU A 462 -7.954 2.100 -3.131 1.00 15.00 O ATOM 545 OE2 GLU A 462 -7.473 2.900 -1.147 1.00 15.00 O ATOM 0 H GLU A 462 -5.116 4.464 -5.218 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.618 6.861 -4.744 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -7.662 5.500 -2.961 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.635 4.653 -4.495 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.725 3.301 -3.757 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.636 4.197 -2.254 1.00 15.00 H new ATOM 552 N LEU A 463 -3.917 6.637 -3.177 1.00 15.00 N ATOM 553 CA LEU A 463 -3.087 7.165 -2.101 1.00 15.00 C ATOM 554 C LEU A 463 -2.024 8.144 -2.609 1.00 15.00 C ATOM 555 O LEU A 463 -1.498 8.944 -1.833 1.00 15.00 O ATOM 556 CB LEU A 463 -2.425 6.021 -1.330 1.00 15.00 C ATOM 557 CG LEU A 463 -1.775 6.417 0.001 1.00 15.00 C ATOM 558 CD1 LEU A 463 -2.814 6.986 0.955 1.00 15.00 C ATOM 559 CD2 LEU A 463 -1.073 5.224 0.629 1.00 15.00 C ATOM 0 H LEU A 463 -3.402 6.209 -3.946 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.745 7.721 -1.433 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.175 5.254 -1.135 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.664 5.568 -1.966 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.031 7.188 -0.198 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.334 7.261 1.894 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.272 7.869 0.509 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.582 6.236 1.146 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.618 5.525 1.573 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.798 4.431 0.812 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.299 4.860 -0.047 1.00 15.00 H new ATOM 571 N LYS A 464 -1.680 8.079 -3.893 1.00 15.00 N ATOM 572 CA LYS A 464 -0.706 9.015 -4.442 1.00 15.00 C ATOM 573 C LYS A 464 -1.392 10.055 -5.320 1.00 15.00 C ATOM 574 O LYS A 464 -1.946 9.689 -6.376 1.00 15.00 O ATOM 575 CB LYS A 464 0.436 8.312 -5.202 1.00 15.00 C ATOM 576 CG LYS A 464 0.026 7.491 -6.417 1.00 15.00 C ATOM 577 CD LYS A 464 1.196 7.352 -7.385 1.00 15.00 C ATOM 578 CE LYS A 464 0.880 6.438 -8.558 1.00 15.00 C ATOM 579 NZ LYS A 464 1.070 5.004 -8.214 1.00 15.00 N ATOM 580 OXT LYS A 464 -1.375 11.244 -4.945 1.00 15.00 O ATOM 0 H LYS A 464 -2.053 7.403 -4.560 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.245 9.523 -3.595 1.00 15.00 H new ATOM 0 HB2 LYS A 464 1.150 9.069 -5.525 1.00 15.00 H new ATOM 0 HB3 LYS A 464 0.959 7.657 -4.506 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -0.311 6.504 -6.100 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -0.815 7.969 -6.920 1.00 15.00 H new ATOM 0 HD2 LYS A 464 1.470 8.338 -7.761 1.00 15.00 H new ATOM 0 HD3 LYS A 464 2.062 6.963 -6.849 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -0.149 6.601 -8.877 1.00 15.00 H new ATOM 0 HE3 LYS A 464 1.520 6.696 -9.402 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 0.779 4.413 -9.019 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 2.072 4.828 -7.999 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 0.491 4.767 -7.383 1.00 15.00 H new TER 594 LYS A 464