USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 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 447 TYR OH : rot -141:sc= 0.39 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -162:sc= 1.02 (180deg=0.885) USER MOD Set 2.1: A 439 LYS NZ :NH3+ 173:sc= 1.22 (180deg=-0.0298) USER MOD Set 2.2: A 445 THR OG1 : rot 144:sc= 1.06 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 433 SER OG : rot -45:sc= 0.611 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 161:sc= 2.13 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 449 ASN : amide:sc= -0.94! C(o=-0.94!,f=-17!) USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 452 THR OG1 : rot -128:sc= 1.26 USER MOD Single : A 455 SER OG : rot 180:sc= -1.05 USER MOD Single : A 456 TYR OH : rot 37:sc= 0.741 USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 464 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.843) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 3.349 18.796 -7.426 1.00 15.00 N ATOM 2 CA GLY A 428 4.198 18.370 -6.289 1.00 15.00 C ATOM 3 C GLY A 428 3.728 17.059 -5.698 1.00 15.00 C ATOM 4 O GLY A 428 2.573 16.669 -5.878 1.00 15.00 O ATOM 0 HA2 GLY A 428 5.230 18.268 -6.624 1.00 15.00 H new ATOM 0 HA3 GLY A 428 4.187 19.141 -5.518 1.00 15.00 H new ATOM 10 N ALA A 429 4.616 16.374 -4.996 1.00 15.00 N ATOM 11 CA ALA A 429 4.283 15.099 -4.388 1.00 15.00 C ATOM 12 C ALA A 429 3.846 15.290 -2.943 1.00 15.00 C ATOM 13 O ALA A 429 4.656 15.629 -2.076 1.00 15.00 O ATOM 14 CB ALA A 429 5.467 14.150 -4.462 1.00 15.00 C ATOM 0 H ALA A 429 5.575 16.682 -4.834 1.00 15.00 H new ATOM 0 HA ALA A 429 3.452 14.662 -4.943 1.00 15.00 H new ATOM 0 HB1 ALA A 429 5.200 13.199 -4.002 1.00 15.00 H new ATOM 0 HB2 ALA A 429 5.737 13.985 -5.505 1.00 15.00 H new ATOM 0 HB3 ALA A 429 6.315 14.584 -3.932 1.00 15.00 H new ATOM 20 N THR A 430 2.564 15.100 -2.692 1.00 15.00 N ATOM 21 CA THR A 430 2.027 15.182 -1.343 1.00 15.00 C ATOM 22 C THR A 430 1.904 13.791 -0.735 1.00 15.00 C ATOM 23 O THR A 430 1.753 13.632 0.477 1.00 15.00 O ATOM 24 CB THR A 430 0.659 15.887 -1.337 1.00 15.00 C ATOM 25 OG1 THR A 430 -0.033 15.620 -2.567 1.00 15.00 O ATOM 26 CG2 THR A 430 0.828 17.388 -1.159 1.00 15.00 C ATOM 0 H THR A 430 1.870 14.886 -3.408 1.00 15.00 H new ATOM 0 HA THR A 430 2.718 15.771 -0.739 1.00 15.00 H new ATOM 0 HB THR A 430 0.076 15.501 -0.501 1.00 15.00 H new ATOM 0 HG1 THR A 430 -0.904 16.070 -2.557 1.00 15.00 H new ATOM 0 HG21 THR A 430 -0.151 17.867 -1.158 1.00 15.00 H new ATOM 0 HG22 THR A 430 1.331 17.588 -0.213 1.00 15.00 H new ATOM 0 HG23 THR A 430 1.426 17.787 -1.979 1.00 15.00 H new ATOM 34 N ALA A 431 1.977 12.786 -1.597 1.00 15.00 N ATOM 35 CA ALA A 431 1.956 11.400 -1.164 1.00 15.00 C ATOM 36 C ALA A 431 3.380 10.885 -0.990 1.00 15.00 C ATOM 37 O ALA A 431 4.312 11.398 -1.612 1.00 15.00 O ATOM 38 CB ALA A 431 1.197 10.543 -2.169 1.00 15.00 C ATOM 0 H ALA A 431 2.052 12.909 -2.607 1.00 15.00 H new ATOM 0 HA ALA A 431 1.443 11.339 -0.204 1.00 15.00 H new ATOM 0 HB1 ALA A 431 1.190 9.507 -1.831 1.00 15.00 H new ATOM 0 HB2 ALA A 431 0.172 10.904 -2.254 1.00 15.00 H new ATOM 0 HB3 ALA A 431 1.685 10.604 -3.141 1.00 15.00 H new ATOM 44 N VAL A 432 3.547 9.880 -0.147 1.00 15.00 N ATOM 45 CA VAL A 432 4.863 9.313 0.113 1.00 15.00 C ATOM 46 C VAL A 432 5.090 8.080 -0.759 1.00 15.00 C ATOM 47 O VAL A 432 4.221 7.216 -0.860 1.00 15.00 O ATOM 48 CB VAL A 432 5.024 8.939 1.604 1.00 15.00 C ATOM 49 CG1 VAL A 432 6.451 8.501 1.902 1.00 15.00 C ATOM 50 CG2 VAL A 432 4.622 10.106 2.496 1.00 15.00 C ATOM 0 H VAL A 432 2.787 9.438 0.371 1.00 15.00 H new ATOM 0 HA VAL A 432 5.608 10.069 -0.133 1.00 15.00 H new ATOM 0 HB VAL A 432 4.361 8.100 1.817 1.00 15.00 H new ATOM 0 HG11 VAL A 432 6.540 8.243 2.957 1.00 15.00 H new ATOM 0 HG12 VAL A 432 6.699 7.631 1.294 1.00 15.00 H new ATOM 0 HG13 VAL A 432 7.138 9.315 1.669 1.00 15.00 H new ATOM 0 HG21 VAL A 432 4.742 9.823 3.542 1.00 15.00 H new ATOM 0 HG22 VAL A 432 5.255 10.966 2.278 1.00 15.00 H new ATOM 0 HG23 VAL A 432 3.580 10.366 2.308 1.00 15.00 H new ATOM 60 N SER A 433 6.264 7.990 -1.372 1.00 15.00 N ATOM 61 CA SER A 433 6.577 6.903 -2.294 1.00 15.00 C ATOM 62 C SER A 433 7.060 5.669 -1.529 1.00 15.00 C ATOM 63 O SER A 433 7.588 4.721 -2.113 1.00 15.00 O ATOM 64 CB SER A 433 7.642 7.373 -3.292 1.00 15.00 C ATOM 65 OG SER A 433 7.896 6.394 -4.284 1.00 15.00 O ATOM 0 H SER A 433 7.021 8.662 -1.246 1.00 15.00 H new ATOM 0 HA SER A 433 5.675 6.625 -2.839 1.00 15.00 H new ATOM 0 HB2 SER A 433 7.313 8.297 -3.768 1.00 15.00 H new ATOM 0 HB3 SER A 433 8.565 7.600 -2.759 1.00 15.00 H new ATOM 0 HG SER A 433 7.988 5.515 -3.860 1.00 15.00 H new ATOM 71 N GLU A 434 6.835 5.675 -0.221 1.00 15.00 N ATOM 72 CA GLU A 434 7.236 4.577 0.648 1.00 15.00 C ATOM 73 C GLU A 434 6.282 3.390 0.486 1.00 15.00 C ATOM 74 O GLU A 434 6.510 2.304 1.025 1.00 15.00 O ATOM 75 CB GLU A 434 7.242 5.069 2.098 1.00 15.00 C ATOM 76 CG GLU A 434 7.824 4.091 3.101 1.00 15.00 C ATOM 77 CD GLU A 434 7.754 4.625 4.516 1.00 15.00 C ATOM 78 OE1 GLU A 434 8.698 5.326 4.936 1.00 15.00 O ATOM 79 OE2 GLU A 434 6.751 4.350 5.208 1.00 15.00 O ATOM 0 H GLU A 434 6.370 6.441 0.266 1.00 15.00 H new ATOM 0 HA GLU A 434 8.236 4.241 0.374 1.00 15.00 H new ATOM 0 HB2 GLU A 434 7.808 5.999 2.149 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.219 5.302 2.392 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.284 3.146 3.042 1.00 15.00 H new ATOM 0 HG3 GLU A 434 8.862 3.881 2.843 1.00 15.00 H new ATOM 86 N TRP A 435 5.212 3.615 -0.264 1.00 15.00 N ATOM 87 CA TRP A 435 4.195 2.599 -0.488 1.00 15.00 C ATOM 88 C TRP A 435 4.173 2.196 -1.961 1.00 15.00 C ATOM 89 O TRP A 435 3.993 3.041 -2.836 1.00 15.00 O ATOM 90 CB TRP A 435 2.818 3.135 -0.086 1.00 15.00 C ATOM 91 CG TRP A 435 2.759 3.679 1.312 1.00 15.00 C ATOM 92 CD1 TRP A 435 3.115 4.934 1.719 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.302 2.994 2.482 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.920 5.065 3.071 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.420 3.890 3.562 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.809 1.709 2.724 1.00 15.00 C ATOM 97 CZ2 TRP A 435 2.059 3.543 4.862 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.451 1.367 4.014 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.579 2.281 5.068 1.00 15.00 C ATOM 0 H TRP A 435 5.026 4.502 -0.732 1.00 15.00 H new ATOM 0 HA TRP A 435 4.434 1.727 0.121 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.528 3.921 -0.783 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.085 2.334 -0.185 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.495 5.710 1.071 1.00 15.00 H new ATOM 0 HE1 TRP A 435 3.116 5.902 3.620 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.710 0.997 1.918 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 2.155 4.246 5.677 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.066 0.378 4.213 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.292 1.981 6.065 1.00 15.00 H new ATOM 110 N THR A 436 4.359 0.915 -2.234 1.00 15.00 N ATOM 111 CA THR A 436 4.303 0.415 -3.600 1.00 15.00 C ATOM 112 C THR A 436 3.136 -0.552 -3.773 1.00 15.00 C ATOM 113 O THR A 436 3.050 -1.562 -3.076 1.00 15.00 O ATOM 114 CB THR A 436 5.617 -0.288 -3.993 1.00 15.00 C ATOM 115 OG1 THR A 436 6.723 0.601 -3.791 1.00 15.00 O ATOM 116 CG2 THR A 436 5.583 -0.737 -5.448 1.00 15.00 C ATOM 0 H THR A 436 4.550 0.202 -1.530 1.00 15.00 H new ATOM 0 HA THR A 436 4.158 1.274 -4.256 1.00 15.00 H new ATOM 0 HB THR A 436 5.733 -1.169 -3.362 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.556 0.149 -4.041 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.522 -1.230 -5.699 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.757 -1.433 -5.595 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.445 0.131 -6.093 1.00 15.00 H new ATOM 124 N GLU A 437 2.235 -0.239 -4.695 1.00 15.00 N ATOM 125 CA GLU A 437 1.074 -1.080 -4.931 1.00 15.00 C ATOM 126 C GLU A 437 1.292 -2.026 -6.103 1.00 15.00 C ATOM 127 O GLU A 437 1.760 -1.626 -7.171 1.00 15.00 O ATOM 128 CB GLU A 437 -0.179 -0.239 -5.173 1.00 15.00 C ATOM 129 CG GLU A 437 -0.043 0.811 -6.264 1.00 15.00 C ATOM 130 CD GLU A 437 -1.391 1.334 -6.725 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.011 2.145 -5.998 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.844 0.927 -7.817 1.00 15.00 O ATOM 0 H GLU A 437 2.287 0.589 -5.289 1.00 15.00 H new ATOM 0 HA GLU A 437 0.930 -1.677 -4.030 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.002 -0.905 -5.431 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.451 0.258 -4.242 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.560 1.641 -5.895 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.489 0.383 -7.114 1.00 15.00 H new ATOM 139 N TYR A 438 0.941 -3.282 -5.892 1.00 15.00 N ATOM 140 CA TYR A 438 0.976 -4.277 -6.950 1.00 15.00 C ATOM 141 C TYR A 438 -0.444 -4.730 -7.276 1.00 15.00 C ATOM 142 O TYR A 438 -1.241 -5.003 -6.373 1.00 15.00 O ATOM 143 CB TYR A 438 1.835 -5.471 -6.537 1.00 15.00 C ATOM 144 CG TYR A 438 3.291 -5.123 -6.304 1.00 15.00 C ATOM 145 CD1 TYR A 438 4.197 -5.102 -7.358 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.757 -4.811 -5.033 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.527 -4.782 -7.150 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.084 -4.490 -4.817 1.00 15.00 C ATOM 149 CZ TYR A 438 5.964 -4.477 -5.877 1.00 15.00 C ATOM 150 OH TYR A 438 7.290 -4.157 -5.662 1.00 15.00 O ATOM 0 H TYR A 438 0.626 -3.640 -4.990 1.00 15.00 H new ATOM 0 HA TYR A 438 1.421 -3.831 -7.840 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.424 -5.905 -5.625 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.773 -6.237 -7.310 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.857 -5.339 -8.355 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.071 -4.819 -4.199 1.00 15.00 H new ATOM 0 HE1 TYR A 438 6.219 -4.771 -7.979 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.429 -4.251 -3.822 1.00 15.00 H new ATOM 0 HH TYR A 438 7.431 -3.968 -4.711 1.00 15.00 H new ATOM 160 N LYS A 439 -0.747 -4.821 -8.562 1.00 15.00 N ATOM 161 CA LYS A 439 -2.096 -5.122 -9.016 1.00 15.00 C ATOM 162 C LYS A 439 -2.173 -6.557 -9.530 1.00 15.00 C ATOM 163 O LYS A 439 -1.439 -6.936 -10.443 1.00 15.00 O ATOM 164 CB LYS A 439 -2.493 -4.150 -10.133 1.00 15.00 C ATOM 165 CG LYS A 439 -3.981 -4.147 -10.459 1.00 15.00 C ATOM 166 CD LYS A 439 -4.787 -3.403 -9.403 1.00 15.00 C ATOM 167 CE LYS A 439 -4.401 -1.931 -9.350 1.00 15.00 C ATOM 168 NZ LYS A 439 -5.155 -1.187 -8.306 1.00 15.00 N ATOM 0 H LYS A 439 -0.071 -4.690 -9.315 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.784 -5.012 -8.178 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.194 -3.142 -9.846 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.936 -4.403 -11.035 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.139 -3.682 -11.432 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -4.339 -5.174 -10.534 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.851 -3.495 -9.622 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.622 -3.860 -8.427 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -3.332 -1.845 -9.154 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.585 -1.474 -10.323 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -4.777 -0.222 -8.226 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.161 -1.144 -8.568 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.056 -1.674 -7.393 1.00 15.00 H new ATOM 182 N THR A 440 -3.058 -7.343 -8.942 1.00 15.00 N ATOM 183 CA THR A 440 -3.268 -8.716 -9.375 1.00 15.00 C ATOM 184 C THR A 440 -4.348 -8.776 -10.453 1.00 15.00 C ATOM 185 O THR A 440 -5.244 -7.927 -10.486 1.00 15.00 O ATOM 186 CB THR A 440 -3.677 -9.623 -8.200 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.905 -9.159 -7.627 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.596 -9.655 -7.129 1.00 15.00 C ATOM 0 H THR A 440 -3.646 -7.054 -8.160 1.00 15.00 H new ATOM 0 HA THR A 440 -2.322 -9.076 -9.780 1.00 15.00 H new ATOM 0 HB THR A 440 -3.811 -10.634 -8.586 1.00 15.00 H new ATOM 0 HG1 THR A 440 -5.317 -9.881 -7.108 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.912 -10.303 -6.312 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.670 -10.038 -7.558 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.430 -8.647 -6.749 1.00 15.00 H new ATOM 196 N ALA A 441 -4.245 -9.755 -11.346 1.00 15.00 N ATOM 197 CA ALA A 441 -5.221 -9.941 -12.420 1.00 15.00 C ATOM 198 C ALA A 441 -6.640 -10.097 -11.867 1.00 15.00 C ATOM 199 O ALA A 441 -7.617 -9.727 -12.517 1.00 15.00 O ATOM 200 CB ALA A 441 -4.846 -11.144 -13.272 1.00 15.00 C ATOM 0 H ALA A 441 -3.489 -10.439 -11.348 1.00 15.00 H new ATOM 0 HA ALA A 441 -5.206 -9.048 -13.044 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -5.581 -11.270 -14.067 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -3.861 -10.986 -13.711 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -4.827 -12.039 -12.650 1.00 15.00 H new ATOM 206 N ASP A 442 -6.746 -10.651 -10.663 1.00 15.00 N ATOM 207 CA ASP A 442 -8.040 -10.819 -10.001 1.00 15.00 C ATOM 208 C ASP A 442 -8.574 -9.493 -9.457 1.00 15.00 C ATOM 209 O ASP A 442 -9.712 -9.415 -8.993 1.00 15.00 O ATOM 210 CB ASP A 442 -7.957 -11.869 -8.884 1.00 15.00 C ATOM 211 CG ASP A 442 -6.615 -11.888 -8.181 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.705 -12.595 -8.666 1.00 15.00 O ATOM 213 OD2 ASP A 442 -6.455 -11.203 -7.151 1.00 15.00 O ATOM 0 H ASP A 442 -5.951 -10.993 -10.123 1.00 15.00 H new ATOM 0 HA ASP A 442 -8.743 -11.175 -10.754 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -8.741 -11.674 -8.152 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -8.153 -12.855 -9.306 1.00 15.00 H new ATOM 218 N GLY A 443 -7.754 -8.451 -9.527 1.00 15.00 N ATOM 219 CA GLY A 443 -8.206 -7.120 -9.165 1.00 15.00 C ATOM 220 C GLY A 443 -8.048 -6.811 -7.691 1.00 15.00 C ATOM 221 O GLY A 443 -8.841 -6.059 -7.121 1.00 15.00 O ATOM 0 H GLY A 443 -6.781 -8.504 -9.829 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.648 -6.385 -9.745 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.255 -7.013 -9.441 1.00 15.00 H new ATOM 225 N LYS A 444 -7.030 -7.378 -7.068 1.00 15.00 N ATOM 226 CA LYS A 444 -6.753 -7.099 -5.669 1.00 15.00 C ATOM 227 C LYS A 444 -5.444 -6.332 -5.550 1.00 15.00 C ATOM 228 O LYS A 444 -4.421 -6.737 -6.100 1.00 15.00 O ATOM 229 CB LYS A 444 -6.700 -8.397 -4.859 1.00 15.00 C ATOM 230 CG LYS A 444 -7.991 -9.199 -4.918 1.00 15.00 C ATOM 231 CD LYS A 444 -8.005 -10.328 -3.898 1.00 15.00 C ATOM 232 CE LYS A 444 -6.796 -11.239 -4.042 1.00 15.00 C ATOM 233 NZ LYS A 444 -6.858 -12.387 -3.103 1.00 15.00 N ATOM 0 H LYS A 444 -6.383 -8.033 -7.507 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.558 -6.486 -5.263 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.881 -9.014 -5.228 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -6.476 -8.159 -3.819 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.838 -8.537 -4.738 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -8.116 -9.612 -5.919 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -8.025 -9.908 -2.892 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -8.917 -10.913 -4.017 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -6.739 -11.609 -5.066 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.886 -10.668 -3.859 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -6.017 -12.986 -3.230 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -6.887 -12.034 -2.125 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -7.713 -12.946 -3.295 1.00 15.00 H new ATOM 247 N THR A 445 -5.483 -5.218 -4.844 1.00 15.00 N ATOM 248 CA THR A 445 -4.331 -4.345 -4.743 1.00 15.00 C ATOM 249 C THR A 445 -3.698 -4.436 -3.360 1.00 15.00 C ATOM 250 O THR A 445 -4.352 -4.158 -2.360 1.00 15.00 O ATOM 251 CB THR A 445 -4.738 -2.887 -5.009 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.556 -2.819 -6.185 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.518 -2.008 -5.192 1.00 15.00 C ATOM 0 H THR A 445 -6.303 -4.896 -4.331 1.00 15.00 H new ATOM 0 HA THR A 445 -3.606 -4.667 -5.491 1.00 15.00 H new ATOM 0 HB THR A 445 -5.299 -2.527 -4.147 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.245 -2.132 -6.065 1.00 15.00 H new ATOM 0 HG21 THR A 445 -3.834 -0.982 -5.379 1.00 15.00 H new ATOM 0 HG22 THR A 445 -2.907 -2.041 -4.290 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.934 -2.368 -6.039 1.00 15.00 H new ATOM 261 N TYR A 446 -2.433 -4.830 -3.300 1.00 15.00 N ATOM 262 CA TYR A 446 -1.730 -4.865 -2.029 1.00 15.00 C ATOM 263 C TYR A 446 -0.580 -3.860 -2.018 1.00 15.00 C ATOM 264 O TYR A 446 0.261 -3.835 -2.919 1.00 15.00 O ATOM 265 CB TYR A 446 -1.245 -6.285 -1.689 1.00 15.00 C ATOM 266 CG TYR A 446 -0.286 -6.918 -2.679 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.753 -7.574 -3.813 1.00 15.00 C ATOM 268 CD2 TYR A 446 1.085 -6.888 -2.460 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.119 -8.186 -4.695 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.964 -7.489 -3.340 1.00 15.00 C ATOM 271 CZ TYR A 446 1.477 -8.137 -4.456 1.00 15.00 C ATOM 272 OH TYR A 446 2.354 -8.749 -5.329 1.00 15.00 O ATOM 0 H TYR A 446 -1.881 -5.126 -4.105 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.434 -4.575 -1.249 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.761 -6.258 -0.713 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.117 -6.932 -1.595 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.815 -7.606 -4.008 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.471 -6.385 -1.585 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.261 -8.699 -5.566 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.027 -7.452 -3.155 1.00 15.00 H new ATOM 0 HH TYR A 446 3.273 -8.619 -5.014 1.00 15.00 H new ATOM 282 N TYR A 447 -0.579 -3.022 -0.991 1.00 15.00 N ATOM 283 CA TYR A 447 0.423 -1.982 -0.817 1.00 15.00 C ATOM 284 C TYR A 447 1.549 -2.463 0.079 1.00 15.00 C ATOM 285 O TYR A 447 1.335 -2.743 1.260 1.00 15.00 O ATOM 286 CB TYR A 447 -0.225 -0.739 -0.199 1.00 15.00 C ATOM 287 CG TYR A 447 -1.148 -0.008 -1.143 1.00 15.00 C ATOM 288 CD1 TYR A 447 -2.491 -0.343 -1.234 1.00 15.00 C ATOM 289 CD2 TYR A 447 -0.665 1.002 -1.960 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.330 0.315 -2.111 1.00 15.00 C ATOM 291 CE2 TYR A 447 -1.497 1.662 -2.839 1.00 15.00 C ATOM 292 CZ TYR A 447 -2.827 1.316 -2.911 1.00 15.00 C ATOM 293 OH TYR A 447 -3.650 1.967 -3.794 1.00 15.00 O ATOM 0 H TYR A 447 -1.279 -3.046 -0.250 1.00 15.00 H new ATOM 0 HA TYR A 447 0.836 -1.735 -1.795 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.785 -1.034 0.688 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.558 -0.057 0.131 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -2.886 -1.130 -0.609 1.00 15.00 H new ATOM 0 HD2 TYR A 447 0.378 1.276 -1.907 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -4.374 0.046 -2.169 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -1.106 2.448 -3.469 1.00 15.00 H new ATOM 0 HH TYR A 447 -3.163 2.142 -4.626 1.00 15.00 H new ATOM 303 N TYR A 448 2.738 -2.568 -0.486 1.00 15.00 N ATOM 304 CA TYR A 448 3.907 -2.949 0.280 1.00 15.00 C ATOM 305 C TYR A 448 4.610 -1.704 0.796 1.00 15.00 C ATOM 306 O TYR A 448 5.033 -0.845 0.016 1.00 15.00 O ATOM 307 CB TYR A 448 4.866 -3.789 -0.570 1.00 15.00 C ATOM 308 CG TYR A 448 6.051 -4.322 0.209 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.899 -5.381 1.093 1.00 15.00 C ATOM 310 CD2 TYR A 448 7.314 -3.767 0.062 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.973 -5.872 1.813 1.00 15.00 C ATOM 312 CE2 TYR A 448 8.393 -4.252 0.777 1.00 15.00 C ATOM 313 CZ TYR A 448 8.218 -5.303 1.650 1.00 15.00 C ATOM 314 OH TYR A 448 9.290 -5.789 2.363 1.00 15.00 O ATOM 0 H TYR A 448 2.918 -2.394 -1.475 1.00 15.00 H new ATOM 0 HA TYR A 448 3.587 -3.556 1.127 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.318 -4.627 -1.002 1.00 15.00 H new ATOM 0 HB3 TYR A 448 5.229 -3.183 -1.400 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.925 -5.830 1.221 1.00 15.00 H new ATOM 0 HD2 TYR A 448 7.456 -2.943 -0.622 1.00 15.00 H new ATOM 0 HE1 TYR A 448 6.837 -6.696 2.498 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.370 -3.808 0.652 1.00 15.00 H new ATOM 0 HH TYR A 448 10.095 -5.279 2.132 1.00 15.00 H new ATOM 324 N ASN A 449 4.707 -1.602 2.108 1.00 15.00 N ATOM 325 CA ASN A 449 5.386 -0.487 2.741 1.00 15.00 C ATOM 326 C ASN A 449 6.767 -0.910 3.211 1.00 15.00 C ATOM 327 O ASN A 449 6.896 -1.846 4.006 1.00 15.00 O ATOM 328 CB ASN A 449 4.562 0.039 3.914 1.00 15.00 C ATOM 329 CG ASN A 449 5.316 1.051 4.753 1.00 15.00 C ATOM 330 OD1 ASN A 449 5.995 0.692 5.711 1.00 15.00 O ATOM 331 ND2 ASN A 449 5.218 2.316 4.387 1.00 15.00 N ATOM 0 H ASN A 449 4.321 -2.284 2.761 1.00 15.00 H new ATOM 0 HA ASN A 449 5.498 0.314 2.010 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.649 0.497 3.534 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.261 -0.797 4.545 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.718 3.037 4.907 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.643 2.572 3.584 1.00 15.00 H new ATOM 338 N ASN A 450 7.785 -0.198 2.734 1.00 15.00 N ATOM 339 CA ASN A 450 9.187 -0.554 2.978 1.00 15.00 C ATOM 340 C ASN A 450 9.637 -0.203 4.396 1.00 15.00 C ATOM 341 O ASN A 450 10.750 -0.537 4.800 1.00 15.00 O ATOM 342 CB ASN A 450 10.097 0.168 1.979 1.00 15.00 C ATOM 343 CG ASN A 450 9.823 -0.207 0.534 1.00 15.00 C ATOM 344 OD1 ASN A 450 9.413 -1.325 0.238 1.00 15.00 O ATOM 345 ND2 ASN A 450 10.043 0.730 -0.378 1.00 15.00 N ATOM 0 H ASN A 450 7.665 0.642 2.168 1.00 15.00 H new ATOM 0 HA ASN A 450 9.264 -1.634 2.853 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.972 1.244 2.097 1.00 15.00 H new ATOM 0 HB3 ASN A 450 11.136 -0.060 2.215 1.00 15.00 H new ATOM 0 HD21 ASN A 450 9.871 0.533 -1.364 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.384 1.648 -0.094 1.00 15.00 H new ATOM 352 N ARG A 451 8.785 0.479 5.141 1.00 15.00 N ATOM 353 CA ARG A 451 9.131 0.931 6.482 1.00 15.00 C ATOM 354 C ARG A 451 8.789 -0.131 7.525 1.00 15.00 C ATOM 355 O ARG A 451 9.563 -0.389 8.446 1.00 15.00 O ATOM 356 CB ARG A 451 8.392 2.231 6.791 1.00 15.00 C ATOM 357 CG ARG A 451 8.586 2.739 8.202 1.00 15.00 C ATOM 358 CD ARG A 451 7.759 3.988 8.451 1.00 15.00 C ATOM 359 NE ARG A 451 7.878 4.451 9.826 1.00 15.00 N ATOM 360 CZ ARG A 451 7.191 5.474 10.329 1.00 15.00 C ATOM 361 NH1 ARG A 451 6.336 6.146 9.567 1.00 15.00 N ATOM 362 NH2 ARG A 451 7.359 5.826 11.597 1.00 15.00 N ATOM 0 H ARG A 451 7.844 0.734 4.841 1.00 15.00 H new ATOM 0 HA ARG A 451 10.206 1.106 6.522 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.725 2.999 6.092 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.327 2.080 6.615 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.302 1.963 8.913 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.640 2.957 8.372 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.081 4.778 7.772 1.00 15.00 H new ATOM 0 HD3 ARG A 451 6.713 3.782 8.226 1.00 15.00 H new ATOM 0 HE ARG A 451 8.528 3.962 10.442 1.00 15.00 H new ATOM 0 HH11 ARG A 451 6.203 5.879 8.592 1.00 15.00 H new ATOM 0 HH12 ARG A 451 5.812 6.929 9.957 1.00 15.00 H new ATOM 0 HH21 ARG A 451 8.015 5.313 12.186 1.00 15.00 H new ATOM 0 HH22 ARG A 451 6.833 6.610 11.983 1.00 15.00 H new ATOM 376 N THR A 452 7.618 -0.728 7.388 1.00 15.00 N ATOM 377 CA THR A 452 7.184 -1.761 8.313 1.00 15.00 C ATOM 378 C THR A 452 7.251 -3.136 7.642 1.00 15.00 C ATOM 379 O THR A 452 7.038 -4.165 8.286 1.00 15.00 O ATOM 380 CB THR A 452 5.760 -1.460 8.851 1.00 15.00 C ATOM 381 OG1 THR A 452 5.365 -2.429 9.833 1.00 15.00 O ATOM 382 CG2 THR A 452 4.736 -1.425 7.728 1.00 15.00 C ATOM 0 H THR A 452 6.951 -0.516 6.646 1.00 15.00 H new ATOM 0 HA THR A 452 7.860 -1.769 9.168 1.00 15.00 H new ATOM 0 HB THR A 452 5.796 -0.476 9.318 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.488 -2.796 9.596 1.00 15.00 H new ATOM 0 HG21 THR A 452 3.750 -1.212 8.141 1.00 15.00 H new ATOM 0 HG22 THR A 452 5.006 -0.647 7.013 1.00 15.00 H new ATOM 0 HG23 THR A 452 4.717 -2.391 7.223 1.00 15.00 H new ATOM 390 N LEU A 453 7.579 -3.130 6.344 1.00 15.00 N ATOM 391 CA LEU A 453 7.765 -4.359 5.560 1.00 15.00 C ATOM 392 C LEU A 453 6.447 -5.119 5.423 1.00 15.00 C ATOM 393 O LEU A 453 6.426 -6.343 5.275 1.00 15.00 O ATOM 394 CB LEU A 453 8.839 -5.250 6.194 1.00 15.00 C ATOM 395 CG LEU A 453 10.187 -4.568 6.461 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.225 -5.590 6.891 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.659 -3.799 5.234 1.00 15.00 C ATOM 0 H LEU A 453 7.723 -2.275 5.808 1.00 15.00 H new ATOM 0 HA LEU A 453 8.101 -4.077 4.562 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.454 -5.638 7.137 1.00 15.00 H new ATOM 0 HB3 LEU A 453 9.008 -6.107 5.542 1.00 15.00 H new ATOM 0 HG LEU A 453 10.053 -3.854 7.273 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.175 -5.088 7.076 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.892 -6.085 7.803 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.354 -6.331 6.103 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.617 -3.324 5.448 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.774 -4.486 4.396 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.925 -3.035 4.979 1.00 15.00 H new ATOM 409 N GLU A 454 5.349 -4.379 5.421 1.00 15.00 N ATOM 410 CA GLU A 454 4.019 -4.985 5.447 1.00 15.00 C ATOM 411 C GLU A 454 3.242 -4.673 4.180 1.00 15.00 C ATOM 412 O GLU A 454 3.407 -3.606 3.586 1.00 15.00 O ATOM 413 CB GLU A 454 3.224 -4.498 6.657 1.00 15.00 C ATOM 414 CG GLU A 454 3.811 -4.926 7.987 1.00 15.00 C ATOM 415 CD GLU A 454 2.896 -4.610 9.148 1.00 15.00 C ATOM 416 OE1 GLU A 454 2.883 -3.446 9.602 1.00 15.00 O ATOM 417 OE2 GLU A 454 2.180 -5.520 9.606 1.00 15.00 O ATOM 0 H GLU A 454 5.348 -3.359 5.402 1.00 15.00 H new ATOM 0 HA GLU A 454 4.159 -6.064 5.516 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.167 -3.410 6.629 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.203 -4.872 6.584 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.010 -5.998 7.966 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.769 -4.427 8.136 1.00 15.00 H new ATOM 424 N SER A 455 2.373 -5.599 3.796 1.00 15.00 N ATOM 425 CA SER A 455 1.516 -5.420 2.636 1.00 15.00 C ATOM 426 C SER A 455 0.048 -5.367 3.060 1.00 15.00 C ATOM 427 O SER A 455 -0.482 -6.333 3.605 1.00 15.00 O ATOM 428 CB SER A 455 1.726 -6.565 1.644 1.00 15.00 C ATOM 429 OG SER A 455 3.093 -6.699 1.300 1.00 15.00 O ATOM 0 H SER A 455 2.244 -6.489 4.278 1.00 15.00 H new ATOM 0 HA SER A 455 1.778 -4.478 2.155 1.00 15.00 H new ATOM 0 HB2 SER A 455 1.364 -7.497 2.078 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.138 -6.383 0.744 1.00 15.00 H new ATOM 0 HG SER A 455 3.200 -7.439 0.666 1.00 15.00 H new ATOM 435 N TYR A 456 -0.597 -4.232 2.825 1.00 15.00 N ATOM 436 CA TYR A 456 -2.010 -4.075 3.160 1.00 15.00 C ATOM 437 C TYR A 456 -2.849 -4.119 1.892 1.00 15.00 C ATOM 438 O TYR A 456 -2.555 -3.416 0.930 1.00 15.00 O ATOM 439 CB TYR A 456 -2.258 -2.742 3.877 1.00 15.00 C ATOM 440 CG TYR A 456 -1.342 -2.471 5.048 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.149 -3.415 6.052 1.00 15.00 C ATOM 442 CD2 TYR A 456 -0.673 -1.260 5.153 1.00 15.00 C ATOM 443 CE1 TYR A 456 -0.313 -3.157 7.125 1.00 15.00 C ATOM 444 CE2 TYR A 456 0.164 -0.995 6.221 1.00 15.00 C ATOM 445 CZ TYR A 456 0.342 -1.946 7.203 1.00 15.00 C ATOM 446 OH TYR A 456 1.175 -1.678 8.271 1.00 15.00 O ATOM 0 H TYR A 456 -0.168 -3.408 2.405 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.293 -4.892 3.824 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -2.151 -1.932 3.155 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.290 -2.721 4.229 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -1.660 -4.365 5.993 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -0.809 -0.511 4.387 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -0.175 -3.900 7.897 1.00 15.00 H new ATOM 0 HE2 TYR A 456 0.676 -0.047 6.286 1.00 15.00 H new ATOM 0 HH TYR A 456 1.653 -2.495 8.526 1.00 15.00 H new ATOM 456 N TRP A 457 -3.911 -4.914 1.893 1.00 15.00 N ATOM 457 CA TRP A 457 -4.796 -5.003 0.732 1.00 15.00 C ATOM 458 C TRP A 457 -5.709 -3.780 0.654 1.00 15.00 C ATOM 459 O TRP A 457 -6.573 -3.680 -0.219 1.00 15.00 O ATOM 460 CB TRP A 457 -5.633 -6.282 0.787 1.00 15.00 C ATOM 461 CG TRP A 457 -4.811 -7.532 0.718 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.284 -8.224 1.769 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.405 -8.228 -0.467 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.584 -9.314 1.311 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.644 -9.338 -0.058 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.615 -8.024 -1.833 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.092 -10.241 -0.966 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.067 -8.920 -2.733 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.314 -10.016 -2.296 1.00 15.00 C ATOM 0 H TRP A 457 -4.182 -5.505 2.679 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.175 -5.032 -0.164 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.214 -6.288 1.709 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.345 -6.278 -0.038 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.400 -7.955 2.808 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.098 -9.995 1.895 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.195 -7.182 -2.180 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.510 -11.087 -0.631 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.223 -8.771 -3.791 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.900 -10.698 -3.024 1.00 15.00 H new ATOM 480 N GLU A 458 -5.492 -2.847 1.567 1.00 15.00 N ATOM 481 CA GLU A 458 -6.262 -1.620 1.627 1.00 15.00 C ATOM 482 C GLU A 458 -5.330 -0.419 1.515 1.00 15.00 C ATOM 483 O GLU A 458 -4.214 -0.447 2.037 1.00 15.00 O ATOM 484 CB GLU A 458 -7.039 -1.570 2.945 1.00 15.00 C ATOM 485 CG GLU A 458 -6.160 -1.716 4.177 1.00 15.00 C ATOM 486 CD GLU A 458 -6.959 -1.790 5.458 1.00 15.00 C ATOM 487 OE1 GLU A 458 -7.519 -0.756 5.874 1.00 15.00 O ATOM 488 OE2 GLU A 458 -7.029 -2.884 6.056 1.00 15.00 O ATOM 0 H GLU A 458 -4.775 -2.922 2.288 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.968 -1.591 0.797 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.578 -0.624 3.004 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.787 -2.363 2.946 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.552 -2.616 4.080 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.473 -0.871 4.230 1.00 15.00 H new ATOM 495 N LYS A 459 -5.784 0.625 0.827 1.00 15.00 N ATOM 496 CA LYS A 459 -5.007 1.854 0.708 1.00 15.00 C ATOM 497 C LYS A 459 -4.774 2.460 2.084 1.00 15.00 C ATOM 498 O LYS A 459 -5.730 2.768 2.800 1.00 15.00 O ATOM 499 CB LYS A 459 -5.730 2.887 -0.160 1.00 15.00 C ATOM 500 CG LYS A 459 -6.138 2.387 -1.537 1.00 15.00 C ATOM 501 CD LYS A 459 -6.825 3.480 -2.351 1.00 15.00 C ATOM 502 CE LYS A 459 -5.868 4.183 -3.311 1.00 15.00 C ATOM 503 NZ LYS A 459 -4.759 4.888 -2.614 1.00 15.00 N ATOM 0 H LYS A 459 -6.683 0.644 0.345 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.057 1.597 0.241 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.622 3.224 0.368 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.083 3.756 -0.281 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.257 2.034 -2.072 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.810 1.535 -1.431 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.648 3.044 -2.918 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.259 4.215 -1.673 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -5.449 3.449 -3.999 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.427 4.901 -3.912 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -4.330 5.582 -3.258 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -5.132 5.378 -1.776 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -4.039 4.197 -2.320 1.00 15.00 H new ATOM 517 N PRO A 460 -3.504 2.633 2.471 1.00 15.00 N ATOM 518 CA PRO A 460 -3.144 3.293 3.727 1.00 15.00 C ATOM 519 C PRO A 460 -3.772 4.677 3.828 1.00 15.00 C ATOM 520 O PRO A 460 -3.712 5.465 2.883 1.00 15.00 O ATOM 521 CB PRO A 460 -1.615 3.408 3.661 1.00 15.00 C ATOM 522 CG PRO A 460 -1.249 3.095 2.248 1.00 15.00 C ATOM 523 CD PRO A 460 -2.321 2.188 1.729 1.00 15.00 C ATOM 0 HA PRO A 460 -3.496 2.738 4.597 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.285 4.409 3.939 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.139 2.712 4.352 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.187 4.005 1.651 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.273 2.613 2.197 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.455 2.293 0.652 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.093 1.140 1.921 1.00 15.00 H new ATOM 531 N GLN A 461 -4.342 4.980 4.986 1.00 15.00 N ATOM 532 CA GLN A 461 -5.066 6.232 5.185 1.00 15.00 C ATOM 533 C GLN A 461 -4.129 7.436 5.098 1.00 15.00 C ATOM 534 O GLN A 461 -4.574 8.572 4.949 1.00 15.00 O ATOM 535 CB GLN A 461 -5.784 6.224 6.536 1.00 15.00 C ATOM 536 CG GLN A 461 -6.727 7.399 6.735 1.00 15.00 C ATOM 537 CD GLN A 461 -7.337 7.439 8.119 1.00 15.00 C ATOM 538 OE1 GLN A 461 -7.526 6.405 8.762 1.00 15.00 O ATOM 539 NE2 GLN A 461 -7.648 8.635 8.589 1.00 15.00 N ATOM 0 H GLN A 461 -4.318 4.374 5.806 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.805 6.319 4.388 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.349 5.297 6.632 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.040 6.228 7.333 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.185 8.327 6.556 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.524 7.347 5.994 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.475 9.466 8.024 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.061 8.727 9.517 1.00 15.00 H new ATOM 548 N GLU A 462 -2.833 7.188 5.207 1.00 15.00 N ATOM 549 CA GLU A 462 -1.861 8.261 5.111 1.00 15.00 C ATOM 550 C GLU A 462 -1.474 8.492 3.654 1.00 15.00 C ATOM 551 O GLU A 462 -1.045 9.584 3.279 1.00 15.00 O ATOM 552 CB GLU A 462 -0.624 7.948 5.951 1.00 15.00 C ATOM 553 CG GLU A 462 0.248 9.162 6.210 1.00 15.00 C ATOM 554 CD GLU A 462 -0.507 10.258 6.937 1.00 15.00 C ATOM 555 OE1 GLU A 462 -0.601 10.187 8.179 1.00 15.00 O ATOM 556 OE2 GLU A 462 -1.009 11.189 6.269 1.00 15.00 O ATOM 0 H GLU A 462 -2.435 6.262 5.361 1.00 15.00 H new ATOM 0 HA GLU A 462 -2.314 9.173 5.501 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.939 7.525 6.905 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -0.032 7.186 5.444 1.00 15.00 H new ATOM 0 HG2 GLU A 462 1.115 8.866 6.800 1.00 15.00 H new ATOM 0 HG3 GLU A 462 0.624 9.548 5.262 1.00 15.00 H new ATOM 563 N LEU A 463 -1.633 7.458 2.835 1.00 15.00 N ATOM 564 CA LEU A 463 -1.332 7.560 1.415 1.00 15.00 C ATOM 565 C LEU A 463 -2.538 8.122 0.677 1.00 15.00 C ATOM 566 O LEU A 463 -2.392 8.773 -0.356 1.00 15.00 O ATOM 567 CB LEU A 463 -0.946 6.196 0.842 1.00 15.00 C ATOM 568 CG LEU A 463 -0.629 6.174 -0.656 1.00 15.00 C ATOM 569 CD1 LEU A 463 0.600 7.018 -0.958 1.00 15.00 C ATOM 570 CD2 LEU A 463 -0.424 4.747 -1.134 1.00 15.00 C ATOM 0 H LEU A 463 -1.968 6.541 3.131 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.484 8.233 1.283 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.076 5.827 1.385 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.761 5.498 1.033 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.477 6.601 -1.192 1.00 15.00 H new ATOM 0 HD11 LEU A 463 0.808 6.989 -2.028 1.00 15.00 H new ATOM 0 HD12 LEU A 463 0.418 8.048 -0.652 1.00 15.00 H new ATOM 0 HD13 LEU A 463 1.456 6.623 -0.411 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.200 4.749 -2.201 1.00 15.00 H new ATOM 0 HD22 LEU A 463 0.406 4.297 -0.590 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.331 4.170 -0.955 1.00 15.00 H new ATOM 582 N LYS A 464 -3.720 7.829 1.218 1.00 15.00 N ATOM 583 CA LYS A 464 -4.978 8.390 0.735 1.00 15.00 C ATOM 584 C LYS A 464 -5.213 8.032 -0.732 1.00 15.00 C ATOM 585 O LYS A 464 -5.433 6.834 -1.017 1.00 15.00 O ATOM 586 CB LYS A 464 -4.978 9.912 0.943 1.00 15.00 C ATOM 587 CG LYS A 464 -4.585 10.314 2.359 1.00 15.00 C ATOM 588 CD LYS A 464 -4.552 11.820 2.551 1.00 15.00 C ATOM 589 CE LYS A 464 -4.031 12.189 3.936 1.00 15.00 C ATOM 590 NZ LYS A 464 -2.571 11.914 4.083 1.00 15.00 N ATOM 591 OXT LYS A 464 -5.169 8.939 -1.588 1.00 15.00 O ATOM 0 H LYS A 464 -3.831 7.193 2.007 1.00 15.00 H new ATOM 0 HA LYS A 464 -5.799 7.958 1.307 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -4.288 10.371 0.235 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -5.970 10.305 0.721 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -5.290 9.877 3.066 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.604 9.900 2.591 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -3.918 12.272 1.789 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -5.554 12.228 2.416 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -4.220 13.246 4.123 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -4.582 11.628 4.691 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -2.345 11.767 5.087 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -2.322 11.060 3.543 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -2.027 12.723 3.721 1.00 15.00 H new TER 605 LYS A 464