USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 290 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 449 ASN : amide:sc= -1.99! C(o=-2.6!,f=-18!) USER MOD Set 1.2: A 452 THR OG1 : rot 180:sc= -0.622 USER MOD Set 2.1: A 439 LYS NZ :NH3+ -165:sc= 0.715 (180deg=-1.08) USER MOD Set 2.2: A 445 THR OG1 : rot 158:sc= 0.918 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 118:sc= 0.48 USER MOD Single : A 444 LYS NZ :NH3+ -135:sc= 0.912 (180deg=-0.562!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.825 K(o=-0.83,f=-1.7!) USER MOD Single : A 455 SER OG : rot 180:sc= -0.843 USER MOD Single : A 456 TYR OH : rot 41:sc= 1.14 USER MOD Single : A 459 LYS NZ :NH3+ 160:sc= -0.0913 (180deg=-0.491) USER MOD Single : A 461 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.79) USER MOD Single : A 464 LYS NZ :NH3+ 150:sc= -1.41 (180deg=-2.98!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -3.942 12.798 4.710 1.00 15.00 N ATOM 2 CA GLY A 428 -2.687 12.317 5.331 1.00 15.00 C ATOM 3 C GLY A 428 -1.460 12.777 4.574 1.00 15.00 C ATOM 4 O GLY A 428 -0.536 13.342 5.165 1.00 15.00 O ATOM 0 HA2 GLY A 428 -2.632 12.675 6.359 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -2.699 11.228 5.373 1.00 15.00 H new ATOM 10 N ALA A 429 -1.453 12.541 3.268 1.00 15.00 N ATOM 11 CA ALA A 429 -0.331 12.913 2.417 1.00 15.00 C ATOM 12 C ALA A 429 -0.746 12.856 0.953 1.00 15.00 C ATOM 13 O ALA A 429 -1.845 12.404 0.635 1.00 15.00 O ATOM 14 CB ALA A 429 0.860 11.995 2.670 1.00 15.00 C ATOM 0 H ALA A 429 -2.221 12.089 2.771 1.00 15.00 H new ATOM 0 HA ALA A 429 -0.032 13.933 2.658 1.00 15.00 H new ATOM 0 HB1 ALA A 429 1.689 12.288 2.025 1.00 15.00 H new ATOM 0 HB2 ALA A 429 1.166 12.075 3.713 1.00 15.00 H new ATOM 0 HB3 ALA A 429 0.578 10.965 2.453 1.00 15.00 H new ATOM 20 N THR A 430 0.122 13.320 0.068 1.00 15.00 N ATOM 21 CA THR A 430 -0.147 13.267 -1.356 1.00 15.00 C ATOM 22 C THR A 430 0.027 11.846 -1.883 1.00 15.00 C ATOM 23 O THR A 430 -0.949 11.174 -2.223 1.00 15.00 O ATOM 24 CB THR A 430 0.782 14.230 -2.114 1.00 15.00 C ATOM 25 OG1 THR A 430 2.119 14.104 -1.601 1.00 15.00 O ATOM 26 CG2 THR A 430 0.303 15.666 -1.963 1.00 15.00 C ATOM 0 H THR A 430 1.020 13.738 0.314 1.00 15.00 H new ATOM 0 HA THR A 430 -1.180 13.574 -1.520 1.00 15.00 H new ATOM 0 HB THR A 430 0.770 13.973 -3.173 1.00 15.00 H new ATOM 0 HG1 THR A 430 2.714 14.716 -2.084 1.00 15.00 H new ATOM 0 HG21 THR A 430 0.973 16.332 -2.506 1.00 15.00 H new ATOM 0 HG22 THR A 430 -0.705 15.758 -2.367 1.00 15.00 H new ATOM 0 HG23 THR A 430 0.297 15.939 -0.908 1.00 15.00 H new ATOM 34 N ALA A 431 1.274 11.391 -1.925 1.00 15.00 N ATOM 35 CA ALA A 431 1.598 10.043 -2.361 1.00 15.00 C ATOM 36 C ALA A 431 3.049 9.721 -2.029 1.00 15.00 C ATOM 37 O ALA A 431 3.955 10.030 -2.803 1.00 15.00 O ATOM 38 CB ALA A 431 1.347 9.880 -3.854 1.00 15.00 C ATOM 0 H ALA A 431 2.086 11.947 -1.658 1.00 15.00 H new ATOM 0 HA ALA A 431 0.950 9.345 -1.831 1.00 15.00 H new ATOM 0 HB1 ALA A 431 1.597 8.863 -4.156 1.00 15.00 H new ATOM 0 HB2 ALA A 431 0.296 10.075 -4.070 1.00 15.00 H new ATOM 0 HB3 ALA A 431 1.968 10.585 -4.406 1.00 15.00 H new ATOM 44 N VAL A 432 3.265 9.127 -0.863 1.00 15.00 N ATOM 45 CA VAL A 432 4.612 8.799 -0.418 1.00 15.00 C ATOM 46 C VAL A 432 5.175 7.619 -1.215 1.00 15.00 C ATOM 47 O VAL A 432 4.491 6.620 -1.439 1.00 15.00 O ATOM 48 CB VAL A 432 4.644 8.499 1.103 1.00 15.00 C ATOM 49 CG1 VAL A 432 3.766 7.309 1.457 1.00 15.00 C ATOM 50 CG2 VAL A 432 6.070 8.283 1.588 1.00 15.00 C ATOM 0 H VAL A 432 2.527 8.863 -0.210 1.00 15.00 H new ATOM 0 HA VAL A 432 5.244 9.668 -0.600 1.00 15.00 H new ATOM 0 HB VAL A 432 4.239 9.372 1.616 1.00 15.00 H new ATOM 0 HG11 VAL A 432 3.813 7.129 2.531 1.00 15.00 H new ATOM 0 HG12 VAL A 432 2.736 7.519 1.169 1.00 15.00 H new ATOM 0 HG13 VAL A 432 4.119 6.426 0.925 1.00 15.00 H new ATOM 0 HG21 VAL A 432 6.063 8.075 2.658 1.00 15.00 H new ATOM 0 HG22 VAL A 432 6.511 7.440 1.057 1.00 15.00 H new ATOM 0 HG23 VAL A 432 6.659 9.180 1.397 1.00 15.00 H new ATOM 60 N SER A 433 6.426 7.751 -1.642 1.00 15.00 N ATOM 61 CA SER A 433 7.079 6.745 -2.477 1.00 15.00 C ATOM 62 C SER A 433 7.339 5.438 -1.720 1.00 15.00 C ATOM 63 O SER A 433 7.860 4.477 -2.289 1.00 15.00 O ATOM 64 CB SER A 433 8.397 7.308 -3.009 1.00 15.00 C ATOM 65 OG SER A 433 8.186 8.528 -3.701 1.00 15.00 O ATOM 0 H SER A 433 7.015 8.554 -1.421 1.00 15.00 H new ATOM 0 HA SER A 433 6.406 6.511 -3.302 1.00 15.00 H new ATOM 0 HB2 SER A 433 9.088 7.470 -2.182 1.00 15.00 H new ATOM 0 HB3 SER A 433 8.863 6.583 -3.676 1.00 15.00 H new ATOM 0 HG SER A 433 9.043 8.870 -4.030 1.00 15.00 H new ATOM 71 N GLU A 434 6.976 5.399 -0.447 1.00 15.00 N ATOM 72 CA GLU A 434 7.200 4.214 0.365 1.00 15.00 C ATOM 73 C GLU A 434 6.010 3.260 0.289 1.00 15.00 C ATOM 74 O GLU A 434 6.090 2.119 0.737 1.00 15.00 O ATOM 75 CB GLU A 434 7.493 4.610 1.810 1.00 15.00 C ATOM 76 CG GLU A 434 8.672 5.563 1.932 1.00 15.00 C ATOM 77 CD GLU A 434 9.097 5.792 3.363 1.00 15.00 C ATOM 78 OE1 GLU A 434 8.504 6.658 4.034 1.00 15.00 O ATOM 79 OE2 GLU A 434 10.033 5.105 3.819 1.00 15.00 O ATOM 0 H GLU A 434 6.527 6.172 0.044 1.00 15.00 H new ATOM 0 HA GLU A 434 8.068 3.687 -0.031 1.00 15.00 H new ATOM 0 HB2 GLU A 434 6.608 5.078 2.241 1.00 15.00 H new ATOM 0 HB3 GLU A 434 7.695 3.712 2.394 1.00 15.00 H new ATOM 0 HG2 GLU A 434 9.515 5.164 1.367 1.00 15.00 H new ATOM 0 HG3 GLU A 434 8.408 6.519 1.479 1.00 15.00 H new ATOM 86 N TRP A 435 4.910 3.733 -0.284 1.00 15.00 N ATOM 87 CA TRP A 435 3.734 2.895 -0.489 1.00 15.00 C ATOM 88 C TRP A 435 3.566 2.566 -1.968 1.00 15.00 C ATOM 89 O TRP A 435 3.263 3.439 -2.782 1.00 15.00 O ATOM 90 CB TRP A 435 2.468 3.573 0.049 1.00 15.00 C ATOM 91 CG TRP A 435 2.258 3.385 1.525 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.395 4.324 2.511 1.00 15.00 C ATOM 93 CD2 TRP A 435 1.867 2.173 2.182 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.111 3.765 3.737 1.00 15.00 N ATOM 95 CE2 TRP A 435 1.785 2.448 3.560 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.579 0.881 1.736 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.424 1.480 4.494 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.222 -0.078 2.664 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.147 0.225 4.027 1.00 15.00 C ATOM 0 H TRP A 435 4.807 4.692 -0.615 1.00 15.00 H new ATOM 0 HA TRP A 435 3.884 1.968 0.065 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.519 4.640 -0.168 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.602 3.180 -0.484 1.00 15.00 H new ATOM 0 HD1 TRP A 435 2.683 5.352 2.351 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.139 4.254 4.632 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.634 0.636 0.686 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.365 1.712 5.547 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.997 -1.080 2.331 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.864 -0.549 4.726 1.00 15.00 H new ATOM 110 N THR A 436 3.793 1.309 -2.315 1.00 15.00 N ATOM 111 CA THR A 436 3.646 0.863 -3.691 1.00 15.00 C ATOM 112 C THR A 436 2.404 -0.019 -3.834 1.00 15.00 C ATOM 113 O THR A 436 2.128 -0.856 -2.973 1.00 15.00 O ATOM 114 CB THR A 436 4.898 0.088 -4.147 1.00 15.00 C ATOM 115 OG1 THR A 436 6.076 0.839 -3.809 1.00 15.00 O ATOM 116 CG2 THR A 436 4.869 -0.158 -5.649 1.00 15.00 C ATOM 0 H THR A 436 4.080 0.579 -1.662 1.00 15.00 H new ATOM 0 HA THR A 436 3.530 1.742 -4.325 1.00 15.00 H new ATOM 0 HB THR A 436 4.911 -0.876 -3.638 1.00 15.00 H new ATOM 0 HG1 THR A 436 6.872 0.346 -4.097 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.763 -0.706 -5.945 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.984 -0.741 -5.905 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.839 0.797 -6.174 1.00 15.00 H new ATOM 124 N GLU A 437 1.654 0.185 -4.906 1.00 15.00 N ATOM 125 CA GLU A 437 0.435 -0.570 -5.145 1.00 15.00 C ATOM 126 C GLU A 437 0.683 -1.679 -6.164 1.00 15.00 C ATOM 127 O GLU A 437 1.208 -1.435 -7.251 1.00 15.00 O ATOM 128 CB GLU A 437 -0.701 0.355 -5.622 1.00 15.00 C ATOM 129 CG GLU A 437 -0.480 1.000 -6.987 1.00 15.00 C ATOM 130 CD GLU A 437 0.558 2.105 -6.979 1.00 15.00 C ATOM 131 OE1 GLU A 437 1.765 1.799 -6.981 1.00 15.00 O ATOM 132 OE2 GLU A 437 0.170 3.289 -6.979 1.00 15.00 O ATOM 0 H GLU A 437 1.871 0.872 -5.628 1.00 15.00 H new ATOM 0 HA GLU A 437 0.129 -1.026 -4.203 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.627 -0.219 -5.654 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.841 1.144 -4.883 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.174 0.231 -7.697 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.426 1.405 -7.345 1.00 15.00 H new ATOM 139 N TYR A 438 0.317 -2.898 -5.806 1.00 15.00 N ATOM 140 CA TYR A 438 0.461 -4.025 -6.715 1.00 15.00 C ATOM 141 C TYR A 438 -0.894 -4.619 -7.065 1.00 15.00 C ATOM 142 O TYR A 438 -1.602 -5.133 -6.197 1.00 15.00 O ATOM 143 CB TYR A 438 1.359 -5.100 -6.104 1.00 15.00 C ATOM 144 CG TYR A 438 2.815 -4.706 -6.010 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.657 -4.836 -7.106 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.349 -4.215 -4.827 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.989 -4.487 -7.027 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.682 -3.862 -4.740 1.00 15.00 C ATOM 149 CZ TYR A 438 5.498 -4.002 -5.843 1.00 15.00 C ATOM 150 OH TYR A 438 6.830 -3.662 -5.761 1.00 15.00 O ATOM 0 H TYR A 438 -0.081 -3.133 -4.897 1.00 15.00 H new ATOM 0 HA TYR A 438 0.925 -3.657 -7.630 1.00 15.00 H new ATOM 0 HB2 TYR A 438 0.993 -5.340 -5.106 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.277 -6.009 -6.700 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.262 -5.217 -8.036 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.713 -4.107 -3.961 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.630 -4.594 -7.890 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.083 -3.479 -3.813 1.00 15.00 H new ATOM 0 HH TYR A 438 7.029 -3.336 -4.859 1.00 15.00 H new ATOM 160 N LYS A 439 -1.252 -4.524 -8.339 1.00 15.00 N ATOM 161 CA LYS A 439 -2.486 -5.107 -8.847 1.00 15.00 C ATOM 162 C LYS A 439 -2.185 -6.414 -9.573 1.00 15.00 C ATOM 163 O LYS A 439 -1.378 -6.446 -10.502 1.00 15.00 O ATOM 164 CB LYS A 439 -3.191 -4.125 -9.800 1.00 15.00 C ATOM 165 CG LYS A 439 -4.243 -4.774 -10.697 1.00 15.00 C ATOM 166 CD LYS A 439 -5.465 -5.255 -9.925 1.00 15.00 C ATOM 167 CE LYS A 439 -6.549 -4.189 -9.822 1.00 15.00 C ATOM 168 NZ LYS A 439 -6.151 -3.023 -8.994 1.00 15.00 N ATOM 0 H LYS A 439 -0.697 -4.042 -9.047 1.00 15.00 H new ATOM 0 HA LYS A 439 -3.148 -5.311 -8.005 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.666 -3.341 -9.210 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.441 -3.643 -10.427 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.558 -4.058 -11.456 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.795 -5.618 -11.221 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.875 -6.139 -10.414 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.161 -5.557 -8.923 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.805 -3.844 -10.824 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -7.449 -4.636 -9.399 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.995 -2.465 -8.752 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.695 -3.357 -8.121 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.484 -2.430 -9.528 1.00 15.00 H new ATOM 182 N THR A 440 -2.827 -7.485 -9.142 1.00 15.00 N ATOM 183 CA THR A 440 -2.685 -8.774 -9.795 1.00 15.00 C ATOM 184 C THR A 440 -3.734 -8.925 -10.889 1.00 15.00 C ATOM 185 O THR A 440 -4.814 -8.337 -10.804 1.00 15.00 O ATOM 186 CB THR A 440 -2.826 -9.932 -8.789 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.098 -9.859 -8.140 1.00 15.00 O ATOM 188 CG2 THR A 440 -1.717 -9.891 -7.749 1.00 15.00 C ATOM 0 H THR A 440 -3.455 -7.487 -8.338 1.00 15.00 H new ATOM 0 HA THR A 440 -1.687 -8.816 -10.232 1.00 15.00 H new ATOM 0 HB THR A 440 -2.748 -10.871 -9.337 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.616 -10.666 -8.344 1.00 15.00 H new ATOM 0 HG21 THR A 440 -1.841 -10.720 -7.052 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.750 -9.976 -8.245 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.764 -8.948 -7.204 1.00 15.00 H new ATOM 196 N ALA A 441 -3.401 -9.687 -11.924 1.00 15.00 N ATOM 197 CA ALA A 441 -4.285 -9.909 -13.071 1.00 15.00 C ATOM 198 C ALA A 441 -5.711 -10.301 -12.666 1.00 15.00 C ATOM 199 O ALA A 441 -6.667 -9.992 -13.376 1.00 15.00 O ATOM 200 CB ALA A 441 -3.700 -10.973 -13.982 1.00 15.00 C ATOM 0 H ALA A 441 -2.507 -10.172 -11.995 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.354 -8.958 -13.599 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.365 -11.130 -14.831 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.723 -10.648 -14.341 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.591 -11.906 -13.429 1.00 15.00 H new ATOM 206 N ASP A 442 -5.857 -10.975 -11.530 1.00 15.00 N ATOM 207 CA ASP A 442 -7.167 -11.460 -11.097 1.00 15.00 C ATOM 208 C ASP A 442 -7.912 -10.402 -10.276 1.00 15.00 C ATOM 209 O ASP A 442 -9.004 -10.655 -9.771 1.00 15.00 O ATOM 210 CB ASP A 442 -7.024 -12.755 -10.294 1.00 15.00 C ATOM 211 CG ASP A 442 -6.600 -12.526 -8.858 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.516 -11.953 -8.629 1.00 15.00 O ATOM 213 OD2 ASP A 442 -7.350 -12.935 -7.947 1.00 15.00 O ATOM 0 H ASP A 442 -5.091 -11.198 -10.894 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.755 -11.666 -11.991 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.975 -13.287 -10.304 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.293 -13.399 -10.783 1.00 15.00 H new ATOM 218 N GLY A 443 -7.317 -9.221 -10.153 1.00 15.00 N ATOM 219 CA GLY A 443 -7.999 -8.105 -9.523 1.00 15.00 C ATOM 220 C GLY A 443 -7.777 -8.011 -8.023 1.00 15.00 C ATOM 221 O GLY A 443 -8.664 -7.575 -7.291 1.00 15.00 O ATOM 0 H GLY A 443 -6.373 -9.016 -10.479 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.663 -7.178 -9.988 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.068 -8.190 -9.717 1.00 15.00 H new ATOM 225 N LYS A 444 -6.601 -8.402 -7.555 1.00 15.00 N ATOM 226 CA LYS A 444 -6.253 -8.222 -6.150 1.00 15.00 C ATOM 227 C LYS A 444 -5.168 -7.161 -6.019 1.00 15.00 C ATOM 228 O LYS A 444 -4.134 -7.231 -6.680 1.00 15.00 O ATOM 229 CB LYS A 444 -5.778 -9.535 -5.516 1.00 15.00 C ATOM 230 CG LYS A 444 -6.837 -10.626 -5.485 1.00 15.00 C ATOM 231 CD LYS A 444 -6.460 -11.739 -4.518 1.00 15.00 C ATOM 232 CE LYS A 444 -5.143 -12.404 -4.896 1.00 15.00 C ATOM 233 NZ LYS A 444 -5.247 -13.178 -6.160 1.00 15.00 N ATOM 0 H LYS A 444 -5.876 -8.843 -8.121 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.149 -7.898 -5.620 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -4.911 -9.900 -6.067 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.447 -9.335 -4.497 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -7.795 -10.197 -5.192 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -6.965 -11.039 -6.485 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.384 -11.332 -3.510 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -7.252 -12.488 -4.501 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.370 -11.642 -5.001 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -4.829 -13.068 -4.090 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -4.785 -14.102 -6.040 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -6.249 -13.320 -6.399 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -4.779 -12.654 -6.927 1.00 15.00 H new ATOM 247 N THR A 445 -5.408 -6.179 -5.166 1.00 15.00 N ATOM 248 CA THR A 445 -4.467 -5.087 -4.990 1.00 15.00 C ATOM 249 C THR A 445 -3.951 -5.041 -3.559 1.00 15.00 C ATOM 250 O THR A 445 -4.718 -4.817 -2.623 1.00 15.00 O ATOM 251 CB THR A 445 -5.122 -3.739 -5.330 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.927 -3.878 -6.504 1.00 15.00 O ATOM 253 CG2 THR A 445 -4.070 -2.662 -5.556 1.00 15.00 C ATOM 0 H THR A 445 -6.245 -6.116 -4.586 1.00 15.00 H new ATOM 0 HA THR A 445 -3.632 -5.263 -5.669 1.00 15.00 H new ATOM 0 HB THR A 445 -5.746 -3.439 -4.488 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.600 -3.166 -6.525 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.561 -1.718 -5.795 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.473 -2.542 -4.652 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.422 -2.954 -6.383 1.00 15.00 H new ATOM 261 N TYR A 446 -2.658 -5.267 -3.388 1.00 15.00 N ATOM 262 CA TYR A 446 -2.047 -5.170 -2.073 1.00 15.00 C ATOM 263 C TYR A 446 -1.034 -4.031 -2.051 1.00 15.00 C ATOM 264 O TYR A 446 -0.192 -3.908 -2.945 1.00 15.00 O ATOM 265 CB TYR A 446 -1.396 -6.501 -1.657 1.00 15.00 C ATOM 266 CG TYR A 446 -0.300 -7.002 -2.578 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.603 -7.743 -3.715 1.00 15.00 C ATOM 268 CD2 TYR A 446 1.038 -6.748 -2.300 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.396 -8.214 -4.546 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.042 -7.213 -3.126 1.00 15.00 C ATOM 271 CZ TYR A 446 1.716 -7.945 -4.248 1.00 15.00 C ATOM 272 OH TYR A 446 2.716 -8.411 -5.076 1.00 15.00 O ATOM 0 H TYR A 446 -2.015 -5.517 -4.139 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.829 -4.954 -1.346 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.982 -6.387 -0.655 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.173 -7.263 -1.596 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.635 -7.954 -3.952 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.297 -6.176 -1.421 1.00 15.00 H new ATOM 0 HE1 TYR A 446 0.145 -8.790 -5.424 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.076 -7.005 -2.895 1.00 15.00 H new ATOM 0 HH TYR A 446 3.588 -8.134 -4.724 1.00 15.00 H new ATOM 282 N TYR A 447 -1.134 -3.191 -1.033 1.00 15.00 N ATOM 283 CA TYR A 447 -0.243 -2.056 -0.880 1.00 15.00 C ATOM 284 C TYR A 447 0.951 -2.453 -0.021 1.00 15.00 C ATOM 285 O TYR A 447 0.788 -2.930 1.104 1.00 15.00 O ATOM 286 CB TYR A 447 -0.992 -0.877 -0.252 1.00 15.00 C ATOM 287 CG TYR A 447 -2.168 -0.404 -1.077 1.00 15.00 C ATOM 288 CD1 TYR A 447 -1.988 0.487 -2.129 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.457 -0.850 -0.809 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.059 0.919 -2.888 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.532 -0.423 -1.564 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.328 0.461 -2.602 1.00 15.00 C ATOM 293 OH TYR A 447 -5.397 0.887 -3.358 1.00 15.00 O ATOM 0 H TYR A 447 -1.832 -3.277 -0.294 1.00 15.00 H new ATOM 0 HA TYR A 447 0.118 -1.748 -1.861 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.345 -1.166 0.738 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.298 -0.048 -0.113 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -0.996 0.847 -2.357 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.621 -1.542 0.004 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -2.903 1.612 -3.701 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.527 -0.780 -1.342 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.219 0.470 -3.026 1.00 15.00 H new ATOM 303 N TYR A 448 2.146 -2.260 -0.556 1.00 15.00 N ATOM 304 CA TYR A 448 3.367 -2.694 0.105 1.00 15.00 C ATOM 305 C TYR A 448 4.213 -1.495 0.523 1.00 15.00 C ATOM 306 O TYR A 448 4.528 -0.631 -0.298 1.00 15.00 O ATOM 307 CB TYR A 448 4.161 -3.595 -0.846 1.00 15.00 C ATOM 308 CG TYR A 448 5.404 -4.207 -0.234 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.340 -5.397 0.478 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.644 -3.599 -0.380 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.475 -5.964 1.028 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.782 -4.157 0.169 1.00 15.00 C ATOM 313 CZ TYR A 448 7.693 -5.339 0.871 1.00 15.00 C ATOM 314 OH TYR A 448 8.829 -5.901 1.412 1.00 15.00 O ATOM 0 H TYR A 448 2.297 -1.801 -1.454 1.00 15.00 H new ATOM 0 HA TYR A 448 3.105 -3.251 1.005 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.510 -4.396 -1.196 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.450 -3.014 -1.722 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.387 -5.889 0.605 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.720 -2.674 -0.932 1.00 15.00 H new ATOM 0 HE1 TYR A 448 6.407 -6.891 1.577 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.738 -3.669 0.048 1.00 15.00 H new ATOM 0 HH TYR A 448 9.603 -5.335 1.209 1.00 15.00 H new ATOM 324 N ASN A 449 4.578 -1.450 1.799 1.00 15.00 N ATOM 325 CA ASN A 449 5.453 -0.400 2.308 1.00 15.00 C ATOM 326 C ASN A 449 6.735 -1.014 2.855 1.00 15.00 C ATOM 327 O ASN A 449 6.685 -1.952 3.661 1.00 15.00 O ATOM 328 CB ASN A 449 4.754 0.418 3.398 1.00 15.00 C ATOM 329 CG ASN A 449 5.536 1.662 3.789 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.762 1.682 3.745 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.832 2.714 4.166 1.00 15.00 N ATOM 0 H ASN A 449 4.282 -2.129 2.500 1.00 15.00 H new ATOM 0 HA ASN A 449 5.698 0.272 1.485 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.764 0.711 3.048 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.609 -0.207 4.279 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.307 3.577 4.432 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.814 2.664 4.191 1.00 15.00 H new ATOM 338 N ASN A 450 7.871 -0.452 2.450 1.00 15.00 N ATOM 339 CA ASN A 450 9.179 -1.006 2.792 1.00 15.00 C ATOM 340 C ASN A 450 9.660 -0.569 4.179 1.00 15.00 C ATOM 341 O ASN A 450 10.511 -1.232 4.773 1.00 15.00 O ATOM 342 CB ASN A 450 10.227 -0.634 1.738 1.00 15.00 C ATOM 343 CG ASN A 450 9.986 -1.317 0.403 1.00 15.00 C ATOM 344 OD1 ASN A 450 10.412 -2.453 0.190 1.00 15.00 O ATOM 345 ND2 ASN A 450 9.329 -0.624 -0.516 1.00 15.00 N ATOM 0 H ASN A 450 7.912 0.393 1.880 1.00 15.00 H new ATOM 0 HA ASN A 450 9.056 -2.089 2.812 1.00 15.00 H new ATOM 0 HB2 ASN A 450 10.224 0.446 1.594 1.00 15.00 H new ATOM 0 HB3 ASN A 450 11.217 -0.904 2.106 1.00 15.00 H new ATOM 0 HD21 ASN A 450 9.161 -1.029 -1.437 1.00 15.00 H new ATOM 0 HD22 ASN A 450 8.991 0.314 -0.302 1.00 15.00 H new ATOM 352 N ARG A 451 9.151 0.545 4.700 1.00 15.00 N ATOM 353 CA ARG A 451 9.532 0.967 6.050 1.00 15.00 C ATOM 354 C ARG A 451 8.615 0.335 7.083 1.00 15.00 C ATOM 355 O ARG A 451 8.872 0.398 8.282 1.00 15.00 O ATOM 356 CB ARG A 451 9.570 2.500 6.203 1.00 15.00 C ATOM 357 CG ARG A 451 8.348 3.246 5.682 1.00 15.00 C ATOM 358 CD ARG A 451 7.110 3.051 6.547 1.00 15.00 C ATOM 359 NE ARG A 451 7.177 3.769 7.818 1.00 15.00 N ATOM 360 CZ ARG A 451 6.148 4.445 8.332 1.00 15.00 C ATOM 361 NH1 ARG A 451 5.000 4.511 7.664 1.00 15.00 N ATOM 362 NH2 ARG A 451 6.258 5.054 9.508 1.00 15.00 N ATOM 0 H ARG A 451 8.490 1.160 4.224 1.00 15.00 H new ATOM 0 HA ARG A 451 10.549 0.615 6.222 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.695 2.738 7.259 1.00 15.00 H new ATOM 0 HB3 ARG A 451 10.451 2.877 5.684 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.578 4.310 5.623 1.00 15.00 H new ATOM 0 HG3 ARG A 451 8.131 2.910 4.668 1.00 15.00 H new ATOM 0 HD2 ARG A 451 6.232 3.385 5.994 1.00 15.00 H new ATOM 0 HD3 ARG A 451 6.976 1.987 6.745 1.00 15.00 H new ATOM 0 HE ARG A 451 8.054 3.753 8.338 1.00 15.00 H new ATOM 0 HH11 ARG A 451 4.908 4.045 6.761 1.00 15.00 H new ATOM 0 HH12 ARG A 451 4.212 5.027 8.055 1.00 15.00 H new ATOM 0 HH21 ARG A 451 7.135 5.007 10.026 1.00 15.00 H new ATOM 0 HH22 ARG A 451 5.465 5.568 9.892 1.00 15.00 H new ATOM 376 N THR A 452 7.542 -0.270 6.606 1.00 15.00 N ATOM 377 CA THR A 452 6.633 -0.995 7.472 1.00 15.00 C ATOM 378 C THR A 452 6.853 -2.498 7.315 1.00 15.00 C ATOM 379 O THR A 452 6.570 -3.273 8.224 1.00 15.00 O ATOM 380 CB THR A 452 5.166 -0.644 7.147 1.00 15.00 C ATOM 381 OG1 THR A 452 5.034 0.775 6.998 1.00 15.00 O ATOM 382 CG2 THR A 452 4.227 -1.118 8.247 1.00 15.00 C ATOM 0 H THR A 452 7.279 -0.273 5.620 1.00 15.00 H new ATOM 0 HA THR A 452 6.836 -0.705 8.503 1.00 15.00 H new ATOM 0 HB THR A 452 4.896 -1.149 6.219 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.102 0.997 6.790 1.00 15.00 H new ATOM 0 HG21 THR A 452 3.201 -0.856 7.988 1.00 15.00 H new ATOM 0 HG22 THR A 452 4.309 -2.200 8.354 1.00 15.00 H new ATOM 0 HG23 THR A 452 4.498 -0.639 9.188 1.00 15.00 H new ATOM 390 N LEU A 453 7.372 -2.891 6.144 1.00 15.00 N ATOM 391 CA LEU A 453 7.625 -4.300 5.820 1.00 15.00 C ATOM 392 C LEU A 453 6.314 -5.073 5.758 1.00 15.00 C ATOM 393 O LEU A 453 6.291 -6.297 5.879 1.00 15.00 O ATOM 394 CB LEU A 453 8.563 -4.939 6.853 1.00 15.00 C ATOM 395 CG LEU A 453 9.975 -4.354 6.913 1.00 15.00 C ATOM 396 CD1 LEU A 453 10.772 -5.017 8.023 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.681 -4.528 5.577 1.00 15.00 C ATOM 0 H LEU A 453 7.627 -2.244 5.398 1.00 15.00 H new ATOM 0 HA LEU A 453 8.108 -4.341 4.844 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.107 -4.844 7.839 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.639 -6.005 6.638 1.00 15.00 H new ATOM 0 HG LEU A 453 9.900 -3.288 7.126 1.00 15.00 H new ATOM 0 HD11 LEU A 453 11.775 -4.592 8.055 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.276 -4.848 8.978 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.838 -6.088 7.833 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.684 -4.106 5.638 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.748 -5.589 5.336 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.118 -4.014 4.798 1.00 15.00 H new ATOM 409 N GLU A 454 5.231 -4.358 5.495 1.00 15.00 N ATOM 410 CA GLU A 454 3.897 -4.933 5.605 1.00 15.00 C ATOM 411 C GLU A 454 3.047 -4.611 4.386 1.00 15.00 C ATOM 412 O GLU A 454 3.218 -3.567 3.750 1.00 15.00 O ATOM 413 CB GLU A 454 3.210 -4.432 6.878 1.00 15.00 C ATOM 414 CG GLU A 454 3.823 -4.993 8.153 1.00 15.00 C ATOM 415 CD GLU A 454 3.168 -4.459 9.409 1.00 15.00 C ATOM 416 OE1 GLU A 454 1.952 -4.684 9.591 1.00 15.00 O ATOM 417 OE2 GLU A 454 3.868 -3.835 10.234 1.00 15.00 O ATOM 0 H GLU A 454 5.248 -3.380 5.204 1.00 15.00 H new ATOM 0 HA GLU A 454 4.004 -6.016 5.658 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.262 -3.344 6.906 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.154 -4.700 6.842 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.741 -6.080 8.141 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.886 -4.754 8.174 1.00 15.00 H new ATOM 424 N SER A 455 2.132 -5.516 4.075 1.00 15.00 N ATOM 425 CA SER A 455 1.236 -5.358 2.942 1.00 15.00 C ATOM 426 C SER A 455 -0.212 -5.303 3.422 1.00 15.00 C ATOM 427 O SER A 455 -0.677 -6.206 4.118 1.00 15.00 O ATOM 428 CB SER A 455 1.420 -6.528 1.976 1.00 15.00 C ATOM 429 OG SER A 455 2.787 -6.697 1.643 1.00 15.00 O ATOM 0 H SER A 455 1.990 -6.379 4.600 1.00 15.00 H new ATOM 0 HA SER A 455 1.471 -4.426 2.428 1.00 15.00 H new ATOM 0 HB2 SER A 455 1.036 -7.442 2.428 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.840 -6.352 1.070 1.00 15.00 H new ATOM 0 HG SER A 455 2.882 -7.452 1.025 1.00 15.00 H new ATOM 435 N TYR A 456 -0.917 -4.244 3.057 1.00 15.00 N ATOM 436 CA TYR A 456 -2.318 -4.093 3.435 1.00 15.00 C ATOM 437 C TYR A 456 -3.198 -4.092 2.194 1.00 15.00 C ATOM 438 O TYR A 456 -2.832 -3.526 1.166 1.00 15.00 O ATOM 439 CB TYR A 456 -2.539 -2.791 4.216 1.00 15.00 C ATOM 440 CG TYR A 456 -1.757 -2.702 5.507 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.649 -3.797 6.356 1.00 15.00 C ATOM 442 CD2 TYR A 456 -1.135 -1.518 5.879 1.00 15.00 C ATOM 443 CE1 TYR A 456 -0.936 -3.716 7.538 1.00 15.00 C ATOM 444 CE2 TYR A 456 -0.419 -1.429 7.059 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.323 -2.530 7.885 1.00 15.00 C ATOM 446 OH TYR A 456 0.388 -2.441 9.062 1.00 15.00 O ATOM 0 H TYR A 456 -0.545 -3.475 2.500 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.586 -4.935 4.074 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -2.266 -1.949 3.580 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.601 -2.691 4.440 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.130 -4.726 6.088 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -1.211 -0.653 5.237 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -0.859 -4.577 8.186 1.00 15.00 H new ATOM 0 HE2 TYR A 456 0.063 -0.502 7.333 1.00 15.00 H new ATOM 0 HH TYR A 456 0.914 -3.258 9.189 1.00 15.00 H new ATOM 456 N TRP A 457 -4.365 -4.710 2.300 1.00 15.00 N ATOM 457 CA TRP A 457 -5.323 -4.725 1.201 1.00 15.00 C ATOM 458 C TRP A 457 -6.228 -3.499 1.291 1.00 15.00 C ATOM 459 O TRP A 457 -7.103 -3.281 0.450 1.00 15.00 O ATOM 460 CB TRP A 457 -6.155 -6.010 1.235 1.00 15.00 C ATOM 461 CG TRP A 457 -5.321 -7.257 1.190 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.777 -7.916 2.257 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.934 -7.995 0.024 1.00 15.00 C ATOM 464 NE1 TRP A 457 -4.070 -9.012 1.825 1.00 15.00 N ATOM 465 CE2 TRP A 457 -4.153 -9.084 0.460 1.00 15.00 C ATOM 466 CE3 TRP A 457 -5.169 -7.841 -1.345 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.608 -10.012 -0.425 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.627 -8.763 -2.221 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.854 -9.836 -1.759 1.00 15.00 C ATOM 0 H TRP A 457 -4.673 -5.208 3.135 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.781 -4.696 0.256 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.761 -6.019 2.141 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.844 -6.011 0.391 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.887 -7.618 3.289 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.565 -9.666 2.424 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.763 -7.017 -1.712 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -3.013 -10.840 -0.070 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.803 -8.654 -3.281 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.444 -10.538 -2.470 1.00 15.00 H new ATOM 480 N GLU A 458 -6.007 -2.714 2.334 1.00 15.00 N ATOM 481 CA GLU A 458 -6.728 -1.470 2.548 1.00 15.00 C ATOM 482 C GLU A 458 -5.760 -0.298 2.447 1.00 15.00 C ATOM 483 O GLU A 458 -4.579 -0.435 2.774 1.00 15.00 O ATOM 484 CB GLU A 458 -7.406 -1.477 3.923 1.00 15.00 C ATOM 485 CG GLU A 458 -6.448 -1.736 5.077 1.00 15.00 C ATOM 486 CD GLU A 458 -7.102 -1.555 6.430 1.00 15.00 C ATOM 487 OE1 GLU A 458 -7.797 -2.483 6.892 1.00 15.00 O ATOM 488 OE2 GLU A 458 -6.925 -0.481 7.042 1.00 15.00 O ATOM 0 H GLU A 458 -5.320 -2.923 3.058 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.499 -1.368 1.784 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.899 -0.517 4.080 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -8.184 -2.240 3.930 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.058 -2.751 4.999 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.597 -1.060 4.996 1.00 15.00 H new ATOM 495 N LYS A 459 -6.256 0.849 2.008 1.00 15.00 N ATOM 496 CA LYS A 459 -5.415 2.025 1.851 1.00 15.00 C ATOM 497 C LYS A 459 -5.071 2.636 3.203 1.00 15.00 C ATOM 498 O LYS A 459 -5.954 2.883 4.031 1.00 15.00 O ATOM 499 CB LYS A 459 -6.100 3.082 0.988 1.00 15.00 C ATOM 500 CG LYS A 459 -6.474 2.606 -0.404 1.00 15.00 C ATOM 501 CD LYS A 459 -6.854 3.775 -1.298 1.00 15.00 C ATOM 502 CE LYS A 459 -7.529 3.310 -2.576 1.00 15.00 C ATOM 503 NZ LYS A 459 -8.817 2.624 -2.297 1.00 15.00 N ATOM 0 H LYS A 459 -7.234 0.990 1.755 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.499 1.699 1.359 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.002 3.422 1.498 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.440 3.945 0.899 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.636 2.065 -0.844 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.307 1.906 -0.341 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.522 4.445 -0.757 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -5.961 4.348 -1.546 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -7.706 4.166 -3.227 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.865 2.633 -3.113 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -9.403 2.622 -3.156 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -8.632 1.644 -2.002 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.320 3.125 -1.537 1.00 15.00 H new ATOM 517 N PRO A 460 -3.781 2.894 3.435 1.00 15.00 N ATOM 518 CA PRO A 460 -3.305 3.565 4.647 1.00 15.00 C ATOM 519 C PRO A 460 -3.574 5.069 4.611 1.00 15.00 C ATOM 520 O PRO A 460 -3.584 5.683 3.540 1.00 15.00 O ATOM 521 CB PRO A 460 -1.802 3.299 4.610 1.00 15.00 C ATOM 522 CG PRO A 460 -1.483 3.195 3.160 1.00 15.00 C ATOM 523 CD PRO A 460 -2.674 2.542 2.525 1.00 15.00 C ATOM 0 HA PRO A 460 -3.802 3.203 5.547 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.243 4.106 5.083 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.547 2.381 5.140 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.300 4.179 2.728 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.581 2.604 2.999 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.848 2.917 1.516 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.546 1.462 2.446 1.00 15.00 H new ATOM 531 N GLN A 461 -3.738 5.669 5.783 1.00 15.00 N ATOM 532 CA GLN A 461 -3.984 7.107 5.886 1.00 15.00 C ATOM 533 C GLN A 461 -2.733 7.904 5.492 1.00 15.00 C ATOM 534 O GLN A 461 -2.759 9.134 5.423 1.00 15.00 O ATOM 535 CB GLN A 461 -4.420 7.458 7.314 1.00 15.00 C ATOM 536 CG GLN A 461 -5.002 8.858 7.465 1.00 15.00 C ATOM 537 CD GLN A 461 -6.225 9.084 6.595 1.00 15.00 C ATOM 538 OE1 GLN A 461 -6.971 8.153 6.288 1.00 15.00 O ATOM 539 NE2 GLN A 461 -6.456 10.327 6.205 1.00 15.00 N ATOM 0 H GLN A 461 -3.706 5.183 6.679 1.00 15.00 H new ATOM 0 HA GLN A 461 -4.783 7.376 5.195 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -5.162 6.731 7.644 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -3.561 7.361 7.978 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.268 9.025 8.509 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -4.239 9.593 7.209 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -5.817 11.074 6.478 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -7.273 10.538 5.632 1.00 15.00 H new ATOM 548 N GLU A 462 -1.639 7.194 5.236 1.00 15.00 N ATOM 549 CA GLU A 462 -0.404 7.820 4.776 1.00 15.00 C ATOM 550 C GLU A 462 -0.431 7.995 3.259 1.00 15.00 C ATOM 551 O GLU A 462 0.420 8.675 2.687 1.00 15.00 O ATOM 552 CB GLU A 462 0.810 6.968 5.158 1.00 15.00 C ATOM 553 CG GLU A 462 0.869 6.580 6.627 1.00 15.00 C ATOM 554 CD GLU A 462 2.094 5.747 6.955 1.00 15.00 C ATOM 555 OE1 GLU A 462 2.335 4.738 6.257 1.00 15.00 O ATOM 556 OE2 GLU A 462 2.819 6.095 7.915 1.00 15.00 O ATOM 0 H GLU A 462 -1.583 6.181 5.340 1.00 15.00 H new ATOM 0 HA GLU A 462 -0.324 8.795 5.256 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.805 6.060 4.555 1.00 15.00 H new ATOM 0 HB3 GLU A 462 1.717 7.515 4.903 1.00 15.00 H new ATOM 0 HG2 GLU A 462 0.872 7.482 7.239 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -0.029 6.020 6.889 1.00 15.00 H new ATOM 563 N LEU A 463 -1.399 7.360 2.613 1.00 15.00 N ATOM 564 CA LEU A 463 -1.492 7.386 1.161 1.00 15.00 C ATOM 565 C LEU A 463 -2.497 8.435 0.698 1.00 15.00 C ATOM 566 O LEU A 463 -2.373 8.994 -0.394 1.00 15.00 O ATOM 567 CB LEU A 463 -1.882 6.003 0.628 1.00 15.00 C ATOM 568 CG LEU A 463 -1.925 5.865 -0.897 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.543 6.097 -1.493 1.00 15.00 C ATOM 570 CD2 LEU A 463 -2.460 4.498 -1.293 1.00 15.00 C ATOM 0 H LEU A 463 -2.132 6.820 3.073 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.513 7.653 0.762 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.176 5.271 1.021 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.864 5.745 1.025 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.599 6.624 -1.294 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.592 5.995 -2.577 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.201 7.100 -1.238 1.00 15.00 H new ATOM 0 HD13 LEU A 463 0.155 5.362 -1.091 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.484 4.417 -2.380 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.812 3.722 -0.886 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.468 4.373 -0.898 1.00 15.00 H new ATOM 582 N LYS A 464 -3.512 8.679 1.517 1.00 15.00 N ATOM 583 CA LYS A 464 -4.526 9.669 1.199 1.00 15.00 C ATOM 584 C LYS A 464 -4.648 10.677 2.333 1.00 15.00 C ATOM 585 O LYS A 464 -5.471 10.462 3.239 1.00 15.00 O ATOM 586 CB LYS A 464 -5.888 9.009 0.941 1.00 15.00 C ATOM 587 CG LYS A 464 -5.879 7.949 -0.153 1.00 15.00 C ATOM 588 CD LYS A 464 -5.371 8.476 -1.495 1.00 15.00 C ATOM 589 CE LYS A 464 -6.327 9.472 -2.149 1.00 15.00 C ATOM 590 NZ LYS A 464 -6.276 10.822 -1.523 1.00 15.00 N ATOM 591 OXT LYS A 464 -3.908 11.678 2.323 1.00 15.00 O ATOM 0 H LYS A 464 -3.653 8.202 2.408 1.00 15.00 H new ATOM 0 HA LYS A 464 -4.218 10.183 0.288 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -6.238 8.554 1.867 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -6.608 9.783 0.674 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -5.253 7.115 0.163 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -6.889 7.559 -0.281 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -4.403 8.954 -1.348 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -5.212 7.636 -2.172 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -6.084 9.559 -3.208 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -7.344 9.086 -2.086 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -6.501 11.544 -2.237 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -6.969 10.872 -0.749 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -5.322 10.994 -1.145 1.00 15.00 H new TER 605 LYS A 464