USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 482 TYR OH : rot 180:sc= 1.03 USER MOD Set 1.2: A 513 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 475 THR OG1 : rot 130:sc= 0.834 USER MOD Set 2.2: A 491 LYS NZ :NH3+ 164:sc= 0.965 (180deg=0) USER MOD Set 3.1: A 461 LYS NZ :NH3+ 162:sc= 0.682 (180deg=0) USER MOD Set 3.2: A 466 HIS : no HE2:sc= -1.23 K(o=-0.55,f=-4.2) USER MOD Set 4.1: A 455 ASN : amide:sc= -0.0908 X(o=-1.1,f=-1.5) USER MOD Set 4.2: A 458 MET CE :methyl -174:sc= -1.01 (180deg=-1.2) USER MOD Single : A 443 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 445 LYS NZ :NH3+ -165:sc= 2.65 (180deg=2.33) USER MOD Single : A 446 SER OG : rot 89:sc= 0.925 USER MOD Single : A 448 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 163:sc= 0.982 (180deg=0.75) USER MOD Single : A 454 LYS NZ :NH3+ -113:sc= 0.634 (180deg=0) USER MOD Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 TYR OH : rot 165:sc= 0 USER MOD Single : A 469 SER OG : rot 180:sc=0.000144 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 487 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 LYS NZ :NH3+ 175:sc= 1.12 (180deg=1.09) USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 504 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 SER OG : rot 180:sc= 0 USER MOD Single : A 523 TYR OH : rot -135:sc= 0.854 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 443 2.514 -2.251 15.107 1.00 0.00 N ATOM 2 CA MET A 443 3.263 -3.519 14.891 1.00 0.00 C ATOM 3 C MET A 443 3.468 -3.740 13.384 1.00 0.00 C ATOM 4 O MET A 443 2.487 -3.645 12.644 1.00 0.00 O ATOM 5 CB MET A 443 2.537 -4.702 15.571 1.00 0.00 C ATOM 6 CG MET A 443 3.416 -5.942 15.792 1.00 0.00 C ATOM 7 SD MET A 443 3.763 -6.953 14.326 1.00 0.00 S ATOM 8 CE MET A 443 4.788 -8.246 15.075 1.00 0.00 C ATOM 0 HA MET A 443 4.247 -3.452 15.355 1.00 0.00 H new ATOM 0 HB2 MET A 443 2.150 -4.370 16.534 1.00 0.00 H new ATOM 0 HB3 MET A 443 1.678 -4.984 14.962 1.00 0.00 H new ATOM 0 HG2 MET A 443 4.366 -5.617 16.216 1.00 0.00 H new ATOM 0 HG3 MET A 443 2.934 -6.574 16.538 1.00 0.00 H new ATOM 0 HE1 MET A 443 5.092 -8.959 14.309 1.00 0.00 H new ATOM 0 HE2 MET A 443 5.674 -7.795 15.522 1.00 0.00 H new ATOM 0 HE3 MET A 443 4.216 -8.763 15.845 1.00 0.00 H new ATOM 18 N PRO A 444 4.706 -3.992 12.899 1.00 0.00 N ATOM 19 CA PRO A 444 5.037 -4.105 11.467 1.00 0.00 C ATOM 20 C PRO A 444 4.101 -4.986 10.622 1.00 0.00 C ATOM 21 O PRO A 444 3.755 -4.616 9.495 1.00 0.00 O ATOM 22 CB PRO A 444 6.477 -4.623 11.425 1.00 0.00 C ATOM 23 CG PRO A 444 7.087 -4.025 12.688 1.00 0.00 C ATOM 24 CD PRO A 444 5.933 -4.082 13.689 1.00 0.00 C ATOM 0 HA PRO A 444 4.911 -3.126 11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 444 6.516 -5.712 11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 444 7.000 -4.293 10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 444 7.947 -4.599 13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 444 7.430 -3.003 12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 444 5.960 -5.008 14.263 1.00 0.00 H new ATOM 0 HD3 PRO A 444 5.997 -3.262 14.404 1.00 0.00 H new ATOM 32 N LYS A 445 3.646 -6.126 11.164 1.00 0.00 N ATOM 33 CA LYS A 445 2.584 -6.968 10.589 1.00 0.00 C ATOM 34 C LYS A 445 1.220 -6.265 10.741 1.00 0.00 C ATOM 35 O LYS A 445 0.445 -6.538 11.656 1.00 0.00 O ATOM 36 CB LYS A 445 2.642 -8.389 11.196 1.00 0.00 C ATOM 37 CG LYS A 445 2.210 -9.502 10.224 1.00 0.00 C ATOM 38 CD LYS A 445 0.774 -9.383 9.694 1.00 0.00 C ATOM 39 CE LYS A 445 0.418 -10.634 8.880 1.00 0.00 C ATOM 40 NZ LYS A 445 -0.885 -10.484 8.193 1.00 0.00 N ATOM 0 H LYS A 445 4.016 -6.498 12.038 1.00 0.00 H new ATOM 0 HA LYS A 445 2.737 -7.100 9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 445 3.660 -8.589 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 445 2.003 -8.423 12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 445 2.894 -9.508 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 445 2.317 -10.463 10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 445 0.078 -9.268 10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 445 0.678 -8.493 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 445 1.199 -10.824 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 445 0.385 -11.501 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 -1.215 -11.415 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 -1.581 -10.081 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 -0.776 -9.851 7.375 1.00 0.00 H new ATOM 54 N SER A 446 0.993 -5.320 9.831 1.00 0.00 N ATOM 55 CA SER A 446 -0.232 -4.541 9.571 1.00 0.00 C ATOM 56 C SER A 446 -0.349 -4.262 8.065 1.00 0.00 C ATOM 57 O SER A 446 -1.382 -4.485 7.442 1.00 0.00 O ATOM 58 CB SER A 446 -0.207 -3.200 10.325 1.00 0.00 C ATOM 59 OG SER A 446 -0.199 -3.376 11.730 1.00 0.00 O ATOM 0 H SER A 446 1.735 -5.047 9.187 1.00 0.00 H new ATOM 0 HA SER A 446 -1.086 -5.123 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 446 0.675 -2.634 10.027 1.00 0.00 H new ATOM 0 HB3 SER A 446 -1.077 -2.608 10.040 1.00 0.00 H new ATOM 0 HG SER A 446 0.726 -3.454 12.045 1.00 0.00 H new ATOM 65 N LEU A 447 0.773 -3.883 7.446 1.00 0.00 N ATOM 66 CA LEU A 447 1.029 -3.632 6.030 1.00 0.00 C ATOM 67 C LEU A 447 0.710 -4.832 5.112 1.00 0.00 C ATOM 68 O LEU A 447 0.763 -4.705 3.893 1.00 0.00 O ATOM 69 CB LEU A 447 2.521 -3.243 5.964 1.00 0.00 C ATOM 70 CG LEU A 447 3.002 -2.518 4.697 1.00 0.00 C ATOM 71 CD1 LEU A 447 2.525 -1.069 4.667 1.00 0.00 C ATOM 72 CD2 LEU A 447 4.529 -2.473 4.707 1.00 0.00 C ATOM 0 H LEU A 447 1.620 -3.728 7.992 1.00 0.00 H new ATOM 0 HA LEU A 447 0.371 -2.848 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 447 2.743 -2.608 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 447 3.112 -4.151 6.079 1.00 0.00 H new ATOM 0 HG LEU A 447 2.605 -3.056 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 447 2.883 -0.587 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 447 1.435 -1.044 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 447 2.915 -0.539 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 447 4.884 -1.961 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 447 4.871 -1.937 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 447 4.923 -3.489 4.723 1.00 0.00 H new ATOM 84 N THR A 448 0.378 -5.988 5.692 1.00 0.00 N ATOM 85 CA THR A 448 0.128 -7.285 5.050 1.00 0.00 C ATOM 86 C THR A 448 -1.090 -8.011 5.657 1.00 0.00 C ATOM 87 O THR A 448 -1.184 -9.236 5.598 1.00 0.00 O ATOM 88 CB THR A 448 1.390 -8.163 5.130 1.00 0.00 C ATOM 89 OG1 THR A 448 1.707 -8.417 6.485 1.00 0.00 O ATOM 90 CG2 THR A 448 2.609 -7.471 4.503 1.00 0.00 C ATOM 0 H THR A 448 0.268 -6.048 6.704 1.00 0.00 H new ATOM 0 HA THR A 448 -0.110 -7.098 4.003 1.00 0.00 H new ATOM 0 HB THR A 448 1.173 -9.083 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 448 2.509 -8.977 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 448 3.478 -8.124 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 448 2.407 -7.259 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 448 2.809 -6.538 5.030 1.00 0.00 H new ATOM 98 N ASP A 449 -2.020 -7.294 6.300 1.00 0.00 N ATOM 99 CA ASP A 449 -3.251 -7.846 6.898 1.00 0.00 C ATOM 100 C ASP A 449 -4.515 -7.531 6.080 1.00 0.00 C ATOM 101 O ASP A 449 -4.764 -6.359 5.815 1.00 0.00 O ATOM 102 CB ASP A 449 -3.454 -7.249 8.299 1.00 0.00 C ATOM 103 CG ASP A 449 -2.846 -8.114 9.402 1.00 0.00 C ATOM 104 OD1 ASP A 449 -3.131 -9.336 9.418 1.00 0.00 O ATOM 105 OD2 ASP A 449 -2.105 -7.585 10.251 1.00 0.00 O ATOM 0 H ASP A 449 -1.938 -6.285 6.424 1.00 0.00 H new ATOM 0 HA ASP A 449 -3.117 -8.927 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 449 -3.007 -6.255 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 449 -4.521 -7.126 8.486 1.00 0.00 H new ATOM 110 N PRO A 450 -5.399 -8.512 5.801 1.00 0.00 N ATOM 111 CA PRO A 450 -6.700 -8.302 5.145 1.00 0.00 C ATOM 112 C PRO A 450 -7.507 -7.118 5.710 1.00 0.00 C ATOM 113 O PRO A 450 -8.081 -6.329 4.960 1.00 0.00 O ATOM 114 CB PRO A 450 -7.463 -9.627 5.304 1.00 0.00 C ATOM 115 CG PRO A 450 -6.391 -10.678 5.585 1.00 0.00 C ATOM 116 CD PRO A 450 -5.220 -9.904 6.170 1.00 0.00 C ATOM 0 HA PRO A 450 -6.544 -8.033 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -8.183 -9.571 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -8.024 -9.869 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -6.753 -11.433 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -6.102 -11.200 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -5.189 -10.014 7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -4.275 -10.286 5.784 1.00 0.00 H new ATOM 124 N LYS A 451 -7.488 -6.967 7.041 1.00 0.00 N ATOM 125 CA LYS A 451 -8.116 -5.901 7.832 1.00 0.00 C ATOM 126 C LYS A 451 -7.642 -4.490 7.446 1.00 0.00 C ATOM 127 O LYS A 451 -8.437 -3.552 7.446 1.00 0.00 O ATOM 128 CB LYS A 451 -7.833 -6.152 9.327 1.00 0.00 C ATOM 129 CG LYS A 451 -8.465 -7.416 9.953 1.00 0.00 C ATOM 130 CD LYS A 451 -7.820 -8.790 9.670 1.00 0.00 C ATOM 131 CE LYS A 451 -6.297 -8.792 9.847 1.00 0.00 C ATOM 132 NZ LYS A 451 -5.736 -10.138 10.142 1.00 0.00 N ATOM 0 H LYS A 451 -6.998 -7.635 7.636 1.00 0.00 H new ATOM 0 HA LYS A 451 -9.185 -5.935 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -6.753 -6.209 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -8.180 -5.285 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -8.481 -7.276 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -9.502 -7.464 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -8.257 -9.533 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -8.061 -9.094 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -5.833 -8.405 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -6.032 -8.111 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -4.711 -10.133 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -5.916 -10.379 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -6.188 -10.845 9.528 1.00 0.00 H new ATOM 146 N LEU A 452 -6.356 -4.326 7.126 1.00 0.00 N ATOM 147 CA LEU A 452 -5.749 -3.060 6.694 1.00 0.00 C ATOM 148 C LEU A 452 -5.796 -2.945 5.168 1.00 0.00 C ATOM 149 O LEU A 452 -6.135 -1.894 4.644 1.00 0.00 O ATOM 150 CB LEU A 452 -4.277 -2.959 7.145 1.00 0.00 C ATOM 151 CG LEU A 452 -3.933 -2.847 8.646 1.00 0.00 C ATOM 152 CD1 LEU A 452 -4.133 -1.418 9.130 1.00 0.00 C ATOM 153 CD2 LEU A 452 -4.665 -3.808 9.574 1.00 0.00 C ATOM 0 H LEU A 452 -5.685 -5.094 7.161 1.00 0.00 H new ATOM 0 HA LEU A 452 -6.320 -2.253 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -3.759 -3.837 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -3.845 -2.090 6.648 1.00 0.00 H new ATOM 0 HG LEU A 452 -2.885 -3.143 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -3.887 -1.355 10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -3.484 -0.749 8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -5.172 -1.126 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -4.343 -3.638 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -5.739 -3.640 9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -4.437 -4.835 9.288 1.00 0.00 H new ATOM 165 N LEU A 453 -5.503 -4.020 4.434 1.00 0.00 N ATOM 166 CA LEU A 453 -5.310 -4.027 2.978 1.00 0.00 C ATOM 167 C LEU A 453 -6.560 -3.606 2.191 1.00 0.00 C ATOM 168 O LEU A 453 -6.485 -3.251 1.014 1.00 0.00 O ATOM 169 CB LEU A 453 -4.856 -5.443 2.581 1.00 0.00 C ATOM 170 CG LEU A 453 -3.407 -5.789 2.997 1.00 0.00 C ATOM 171 CD1 LEU A 453 -3.095 -7.250 2.690 1.00 0.00 C ATOM 172 CD2 LEU A 453 -2.320 -4.948 2.345 1.00 0.00 C ATOM 0 H LEU A 453 -5.389 -4.944 4.850 1.00 0.00 H new ATOM 0 HA LEU A 453 -4.556 -3.283 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 453 -5.534 -6.168 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 453 -4.946 -5.551 1.500 1.00 0.00 H new ATOM 0 HG LEU A 453 -3.386 -5.573 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 453 -2.071 -7.474 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 453 -3.783 -7.892 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 453 -3.207 -7.429 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 453 -1.344 -5.272 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 453 -2.366 -5.069 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 453 -2.470 -3.899 2.599 1.00 0.00 H new ATOM 184 N LYS A 454 -7.711 -3.606 2.864 1.00 0.00 N ATOM 185 CA LYS A 454 -9.035 -3.264 2.343 1.00 0.00 C ATOM 186 C LYS A 454 -9.582 -1.972 2.971 1.00 0.00 C ATOM 187 O LYS A 454 -10.651 -1.487 2.605 1.00 0.00 O ATOM 188 CB LYS A 454 -9.936 -4.477 2.590 1.00 0.00 C ATOM 189 CG LYS A 454 -9.343 -5.662 1.836 1.00 0.00 C ATOM 190 CD LYS A 454 -10.216 -6.886 2.009 1.00 0.00 C ATOM 191 CE LYS A 454 -9.466 -7.935 1.228 1.00 0.00 C ATOM 192 NZ LYS A 454 -10.311 -9.075 0.784 1.00 0.00 N ATOM 0 H LYS A 454 -7.746 -3.861 3.851 1.00 0.00 H new ATOM 0 HA LYS A 454 -8.989 -3.050 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 454 -9.998 -4.695 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 454 -10.951 -4.275 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 454 -9.252 -5.419 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 454 -8.338 -5.869 2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 454 -10.325 -7.162 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 454 -11.220 -6.727 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 454 -9.014 -7.468 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 454 -8.651 -8.317 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 -10.016 -9.940 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 -11.308 -8.873 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 -10.201 -9.210 -0.241 1.00 0.00 H new ATOM 206 N ASN A 455 -8.796 -1.403 3.887 1.00 0.00 N ATOM 207 CA ASN A 455 -8.897 -0.101 4.512 1.00 0.00 C ATOM 208 C ASN A 455 -7.609 0.676 4.232 1.00 0.00 C ATOM 209 O ASN A 455 -6.783 0.921 5.118 1.00 0.00 O ATOM 210 CB ASN A 455 -9.064 -0.210 6.014 1.00 0.00 C ATOM 211 CG ASN A 455 -10.392 -0.715 6.522 1.00 0.00 C ATOM 212 OD1 ASN A 455 -11.453 -0.470 5.967 1.00 0.00 O ATOM 213 ND2 ASN A 455 -10.375 -1.247 7.715 1.00 0.00 N ATOM 0 H ASN A 455 -7.985 -1.909 4.242 1.00 0.00 H new ATOM 0 HA ASN A 455 -9.771 0.404 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 455 -8.283 -0.869 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 455 -8.889 0.775 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 455 -11.252 -1.461 8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 455 -9.485 -1.448 8.171 1.00 0.00 H new ATOM 220 N ILE A 456 -7.487 1.143 3.000 1.00 0.00 N ATOM 221 CA ILE A 456 -6.449 2.078 2.581 1.00 0.00 C ATOM 222 C ILE A 456 -6.124 3.193 3.612 1.00 0.00 C ATOM 223 O ILE A 456 -4.933 3.431 3.796 1.00 0.00 O ATOM 224 CB ILE A 456 -6.830 2.585 1.176 1.00 0.00 C ATOM 225 CG1 ILE A 456 -6.826 1.475 0.090 1.00 0.00 C ATOM 226 CG2 ILE A 456 -5.971 3.757 0.703 1.00 0.00 C ATOM 227 CD1 ILE A 456 -5.600 0.551 0.063 1.00 0.00 C ATOM 0 H ILE A 456 -8.120 0.878 2.245 1.00 0.00 H new ATOM 0 HA ILE A 456 -5.491 1.560 2.530 1.00 0.00 H new ATOM 0 HB ILE A 456 -7.855 2.934 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 456 -7.715 0.859 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 456 -6.916 1.952 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 456 -6.292 4.065 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 456 -6.082 4.592 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 456 -4.925 3.451 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 456 -5.714 -0.181 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 456 -4.702 1.143 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 456 -5.513 0.034 1.019 1.00 0.00 H new ATOM 239 N PRO A 457 -7.060 3.840 4.355 1.00 0.00 N ATOM 240 CA PRO A 457 -6.700 4.884 5.325 1.00 0.00 C ATOM 241 C PRO A 457 -5.798 4.350 6.454 1.00 0.00 C ATOM 242 O PRO A 457 -4.699 4.863 6.683 1.00 0.00 O ATOM 243 CB PRO A 457 -8.026 5.447 5.870 1.00 0.00 C ATOM 244 CG PRO A 457 -9.105 4.892 4.940 1.00 0.00 C ATOM 245 CD PRO A 457 -8.488 3.578 4.481 1.00 0.00 C ATOM 0 HA PRO A 457 -6.112 5.665 4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 457 -8.194 5.133 6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 457 -8.023 6.537 5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 457 -10.051 4.738 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 457 -9.306 5.562 4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 457 -8.679 2.782 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 457 -8.913 3.256 3.530 1.00 0.00 H new ATOM 253 N MET A 458 -6.234 3.291 7.151 1.00 0.00 N ATOM 254 CA MET A 458 -5.448 2.687 8.237 1.00 0.00 C ATOM 255 C MET A 458 -4.261 1.865 7.714 1.00 0.00 C ATOM 256 O MET A 458 -3.294 1.682 8.447 1.00 0.00 O ATOM 257 CB MET A 458 -6.342 1.902 9.209 1.00 0.00 C ATOM 258 CG MET A 458 -7.328 0.958 8.550 1.00 0.00 C ATOM 259 SD MET A 458 -8.465 0.203 9.736 1.00 0.00 S ATOM 260 CE MET A 458 -7.538 -1.308 10.037 1.00 0.00 C ATOM 0 H MET A 458 -7.130 2.834 6.981 1.00 0.00 H new ATOM 0 HA MET A 458 -5.007 3.503 8.810 1.00 0.00 H new ATOM 0 HB2 MET A 458 -5.705 1.327 9.881 1.00 0.00 H new ATOM 0 HB3 MET A 458 -6.896 2.612 9.823 1.00 0.00 H new ATOM 0 HG2 MET A 458 -7.901 1.502 7.799 1.00 0.00 H new ATOM 0 HG3 MET A 458 -6.781 0.174 8.027 1.00 0.00 H new ATOM 0 HE1 MET A 458 -8.124 -1.974 10.670 1.00 0.00 H new ATOM 0 HE2 MET A 458 -7.328 -1.801 9.088 1.00 0.00 H new ATOM 0 HE3 MET A 458 -6.599 -1.066 10.536 1.00 0.00 H new ATOM 270 N TRP A 459 -4.254 1.443 6.443 1.00 0.00 N ATOM 271 CA TRP A 459 -3.054 0.856 5.841 1.00 0.00 C ATOM 272 C TRP A 459 -1.948 1.904 5.606 1.00 0.00 C ATOM 273 O TRP A 459 -0.804 1.721 6.023 1.00 0.00 O ATOM 274 CB TRP A 459 -3.395 0.047 4.595 1.00 0.00 C ATOM 275 CG TRP A 459 -2.253 -0.696 3.972 1.00 0.00 C ATOM 276 CD1 TRP A 459 -1.875 -1.957 4.291 1.00 0.00 C ATOM 277 CD2 TRP A 459 -1.317 -0.246 2.942 1.00 0.00 C ATOM 278 NE1 TRP A 459 -0.795 -2.320 3.511 1.00 0.00 N ATOM 279 CE2 TRP A 459 -0.427 -1.322 2.644 1.00 0.00 C ATOM 280 CE3 TRP A 459 -1.113 0.963 2.239 1.00 0.00 C ATOM 281 CZ2 TRP A 459 0.587 -1.235 1.682 1.00 0.00 C ATOM 282 CZ3 TRP A 459 -0.070 1.076 1.300 1.00 0.00 C ATOM 283 CH2 TRP A 459 0.754 -0.018 1.007 1.00 0.00 C ATOM 0 H TRP A 459 -5.058 1.497 5.818 1.00 0.00 H new ATOM 0 HA TRP A 459 -2.636 0.150 6.559 1.00 0.00 H new ATOM 0 HB2 TRP A 459 -4.175 -0.670 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 459 -3.816 0.722 3.850 1.00 0.00 H new ATOM 0 HD1 TRP A 459 -2.344 -2.580 5.038 1.00 0.00 H new ATOM 0 HE1 TRP A 459 -0.326 -3.224 3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 459 -1.762 1.806 2.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 459 1.222 -2.081 1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 459 0.097 2.018 0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 459 1.524 0.077 0.255 1.00 0.00 H new ATOM 294 N LEU A 460 -2.304 3.054 5.021 1.00 0.00 N ATOM 295 CA LEU A 460 -1.458 4.251 4.877 1.00 0.00 C ATOM 296 C LEU A 460 -0.996 4.860 6.220 1.00 0.00 C ATOM 297 O LEU A 460 -0.018 5.613 6.250 1.00 0.00 O ATOM 298 CB LEU A 460 -2.247 5.301 4.076 1.00 0.00 C ATOM 299 CG LEU A 460 -2.542 4.980 2.603 1.00 0.00 C ATOM 300 CD1 LEU A 460 -3.585 5.973 2.081 1.00 0.00 C ATOM 301 CD2 LEU A 460 -1.302 5.168 1.742 1.00 0.00 C ATOM 0 H LEU A 460 -3.231 3.184 4.616 1.00 0.00 H new ATOM 0 HA LEU A 460 -0.547 3.946 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 460 -3.197 5.469 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 460 -1.695 6.240 4.114 1.00 0.00 H new ATOM 0 HG LEU A 460 -2.886 3.947 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 460 -3.803 5.756 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 460 -4.499 5.883 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 460 -3.196 6.988 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 460 -1.540 4.934 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 460 -0.964 6.202 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 460 -0.512 4.503 2.092 1.00 0.00 H new ATOM 313 N LYS A 461 -1.665 4.566 7.342 1.00 0.00 N ATOM 314 CA LYS A 461 -1.260 4.989 8.703 1.00 0.00 C ATOM 315 C LYS A 461 0.081 4.426 9.142 1.00 0.00 C ATOM 316 O LYS A 461 0.886 5.152 9.720 1.00 0.00 O ATOM 317 CB LYS A 461 -2.390 4.622 9.672 1.00 0.00 C ATOM 318 CG LYS A 461 -2.169 5.041 11.125 1.00 0.00 C ATOM 319 CD LYS A 461 -2.516 6.463 11.513 1.00 0.00 C ATOM 320 CE LYS A 461 -4.029 6.606 11.625 1.00 0.00 C ATOM 321 NZ LYS A 461 -4.419 7.818 12.394 1.00 0.00 N ATOM 0 H LYS A 461 -2.523 4.015 7.337 1.00 0.00 H new ATOM 0 HA LYS A 461 -1.106 6.068 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -3.314 5.079 9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -2.536 3.542 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -2.750 4.370 11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -1.119 4.876 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -2.045 6.717 12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -2.129 7.159 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -4.463 6.655 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -4.442 5.721 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -5.413 8.050 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -4.302 7.636 13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -3.815 8.617 12.113 1.00 0.00 H new ATOM 335 N SER A 462 0.367 3.187 8.773 1.00 0.00 N ATOM 336 CA SER A 462 1.690 2.572 8.953 1.00 0.00 C ATOM 337 C SER A 462 2.831 3.375 8.300 1.00 0.00 C ATOM 338 O SER A 462 3.976 3.296 8.746 1.00 0.00 O ATOM 339 CB SER A 462 1.675 1.149 8.388 1.00 0.00 C ATOM 340 OG SER A 462 0.746 0.332 9.085 1.00 0.00 O ATOM 0 H SER A 462 -0.314 2.567 8.335 1.00 0.00 H new ATOM 0 HA SER A 462 1.888 2.560 10.025 1.00 0.00 H new ATOM 0 HB2 SER A 462 1.416 1.177 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 462 2.672 0.715 8.461 1.00 0.00 H new ATOM 0 HG SER A 462 0.754 -0.571 8.704 1.00 0.00 H new ATOM 346 N LEU A 463 2.538 4.195 7.281 1.00 0.00 N ATOM 347 CA LEU A 463 3.492 5.054 6.573 1.00 0.00 C ATOM 348 C LEU A 463 3.593 6.458 7.197 1.00 0.00 C ATOM 349 O LEU A 463 4.368 7.287 6.719 1.00 0.00 O ATOM 350 CB LEU A 463 3.105 5.177 5.082 1.00 0.00 C ATOM 351 CG LEU A 463 2.405 3.961 4.465 1.00 0.00 C ATOM 352 CD1 LEU A 463 2.175 4.181 2.977 1.00 0.00 C ATOM 353 CD2 LEU A 463 3.179 2.652 4.622 1.00 0.00 C ATOM 0 H LEU A 463 1.590 4.280 6.914 1.00 0.00 H new ATOM 0 HA LEU A 463 4.469 4.580 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 463 2.453 6.043 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 463 4.009 5.380 4.508 1.00 0.00 H new ATOM 0 HG LEU A 463 1.467 3.867 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 463 1.677 3.309 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.550 5.062 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.133 4.330 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 463 2.618 1.840 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 463 4.151 2.744 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 463 3.321 2.438 5.681 1.00 0.00 H new ATOM 365 N ARG A 464 2.791 6.731 8.241 1.00 0.00 N ATOM 366 CA ARG A 464 2.543 8.045 8.850 1.00 0.00 C ATOM 367 C ARG A 464 1.950 9.036 7.831 1.00 0.00 C ATOM 368 O ARG A 464 2.186 10.241 7.911 1.00 0.00 O ATOM 369 CB ARG A 464 3.790 8.546 9.613 1.00 0.00 C ATOM 370 CG ARG A 464 4.206 7.663 10.807 1.00 0.00 C ATOM 371 CD ARG A 464 4.916 6.347 10.444 1.00 0.00 C ATOM 372 NE ARG A 464 5.619 5.778 11.612 1.00 0.00 N ATOM 373 CZ ARG A 464 6.032 4.535 11.787 1.00 0.00 C ATOM 374 NH1 ARG A 464 5.791 3.579 10.934 1.00 0.00 N ATOM 375 NH2 ARG A 464 6.714 4.220 12.852 1.00 0.00 N ATOM 0 H ARG A 464 2.267 5.992 8.710 1.00 0.00 H new ATOM 0 HA ARG A 464 1.770 7.949 9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 464 4.626 8.610 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 464 3.598 9.556 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 464 4.864 8.244 11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 464 3.315 7.426 11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 464 4.186 5.629 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 464 5.629 6.526 9.639 1.00 0.00 H new ATOM 0 HE ARG A 464 5.809 6.424 12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 464 5.261 3.775 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 464 6.132 2.635 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 464 6.929 4.933 13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 464 7.033 3.261 12.988 1.00 0.00 H new ATOM 389 N LEU A 465 1.145 8.516 6.889 1.00 0.00 N ATOM 390 CA LEU A 465 0.495 9.287 5.814 1.00 0.00 C ATOM 391 C LEU A 465 -1.022 9.362 5.997 1.00 0.00 C ATOM 392 O LEU A 465 -1.543 10.448 6.238 1.00 0.00 O ATOM 393 CB LEU A 465 0.863 8.712 4.434 1.00 0.00 C ATOM 394 CG LEU A 465 2.322 8.959 4.015 1.00 0.00 C ATOM 395 CD1 LEU A 465 2.567 8.246 2.690 1.00 0.00 C ATOM 396 CD2 LEU A 465 2.648 10.447 3.868 1.00 0.00 C ATOM 0 H LEU A 465 0.922 7.521 6.853 1.00 0.00 H new ATOM 0 HA LEU A 465 0.871 10.309 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 465 0.675 7.638 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 465 0.203 9.148 3.684 1.00 0.00 H new ATOM 0 HG LEU A 465 2.972 8.570 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 465 3.598 8.409 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 465 2.390 7.178 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 465 1.889 8.641 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 465 3.690 10.564 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 465 2.003 10.888 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 465 2.484 10.951 4.820 1.00 0.00 H new ATOM 408 N HIS A 466 -1.717 8.218 5.904 1.00 0.00 N ATOM 409 CA HIS A 466 -3.165 8.052 6.188 1.00 0.00 C ATOM 410 C HIS A 466 -4.124 9.152 5.680 1.00 0.00 C ATOM 411 O HIS A 466 -5.153 9.434 6.303 1.00 0.00 O ATOM 412 CB HIS A 466 -3.340 7.674 7.662 1.00 0.00 C ATOM 413 CG HIS A 466 -2.958 8.700 8.694 1.00 0.00 C ATOM 414 ND1 HIS A 466 -1.681 9.045 9.083 1.00 0.00 N ATOM 415 CD2 HIS A 466 -3.807 9.147 9.662 1.00 0.00 C ATOM 416 CE1 HIS A 466 -1.765 9.670 10.268 1.00 0.00 C ATOM 417 NE2 HIS A 466 -3.047 9.772 10.656 1.00 0.00 N ATOM 0 H HIS A 466 -1.275 7.344 5.618 1.00 0.00 H new ATOM 0 HA HIS A 466 -3.507 7.231 5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 466 -4.386 7.412 7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 466 -2.754 6.774 7.850 1.00 0.00 H new ATOM 0 HD1 HIS A 466 -0.824 8.858 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 466 -4.881 9.037 9.662 1.00 0.00 H new ATOM 0 HE1 HIS A 466 -0.920 10.039 10.831 1.00 0.00 H new ATOM 425 N LYS A 467 -3.806 9.739 4.517 1.00 0.00 N ATOM 426 CA LYS A 467 -4.547 10.846 3.879 1.00 0.00 C ATOM 427 C LYS A 467 -5.015 10.569 2.450 1.00 0.00 C ATOM 428 O LYS A 467 -6.115 10.975 2.082 1.00 0.00 O ATOM 429 CB LYS A 467 -3.717 12.143 3.946 1.00 0.00 C ATOM 430 CG LYS A 467 -2.461 12.077 3.060 1.00 0.00 C ATOM 431 CD LYS A 467 -1.642 13.353 2.971 1.00 0.00 C ATOM 432 CE LYS A 467 -2.423 14.532 2.377 1.00 0.00 C ATOM 433 NZ LYS A 467 -1.543 15.713 2.174 1.00 0.00 N ATOM 0 H LYS A 467 -2.995 9.447 3.971 1.00 0.00 H new ATOM 0 HA LYS A 467 -5.466 10.958 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 467 -4.336 12.984 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 467 -3.422 12.330 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 467 -1.818 11.281 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 467 -2.766 11.793 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 467 -1.292 13.623 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 467 -0.757 13.168 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 467 -2.864 14.236 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 467 -3.246 14.798 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 -2.098 16.495 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 -1.142 16.008 3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 -0.773 15.464 1.521 1.00 0.00 H new ATOM 447 N TYR A 468 -4.195 9.877 1.653 1.00 0.00 N ATOM 448 CA TYR A 468 -4.389 9.745 0.206 1.00 0.00 C ATOM 449 C TYR A 468 -5.581 8.867 -0.175 1.00 0.00 C ATOM 450 O TYR A 468 -6.050 8.910 -1.310 1.00 0.00 O ATOM 451 CB TYR A 468 -3.085 9.319 -0.463 1.00 0.00 C ATOM 452 CG TYR A 468 -2.004 10.349 -0.252 1.00 0.00 C ATOM 453 CD1 TYR A 468 -2.143 11.578 -0.927 1.00 0.00 C ATOM 454 CD2 TYR A 468 -0.914 10.126 0.609 1.00 0.00 C ATOM 455 CE1 TYR A 468 -1.181 12.587 -0.766 1.00 0.00 C ATOM 456 CE2 TYR A 468 0.069 11.127 0.739 1.00 0.00 C ATOM 457 CZ TYR A 468 -0.053 12.351 0.042 1.00 0.00 C ATOM 458 OH TYR A 468 0.879 13.329 0.205 1.00 0.00 O ATOM 0 H TYR A 468 -3.369 9.388 1.998 1.00 0.00 H new ATOM 0 HA TYR A 468 -4.656 10.729 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 468 -2.762 8.360 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 468 -3.251 9.175 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 468 -2.994 11.744 -1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 468 -0.832 9.202 1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 468 -1.306 13.540 -1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 468 0.924 10.958 1.377 1.00 0.00 H new ATOM 0 HH TYR A 468 1.457 13.107 0.964 1.00 0.00 H new ATOM 468 N SER A 469 -6.135 8.138 0.795 1.00 0.00 N ATOM 469 CA SER A 469 -7.356 7.345 0.716 1.00 0.00 C ATOM 470 C SER A 469 -8.542 8.130 0.149 1.00 0.00 C ATOM 471 O SER A 469 -9.400 7.537 -0.503 1.00 0.00 O ATOM 472 CB SER A 469 -7.720 6.873 2.131 1.00 0.00 C ATOM 473 OG SER A 469 -7.673 7.962 3.040 1.00 0.00 O ATOM 0 H SER A 469 -5.710 8.085 1.721 1.00 0.00 H new ATOM 0 HA SER A 469 -7.162 6.511 0.042 1.00 0.00 H new ATOM 0 HB2 SER A 469 -8.718 6.434 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 469 -7.029 6.093 2.451 1.00 0.00 H new ATOM 0 HG SER A 469 -7.909 7.649 3.938 1.00 0.00 H new ATOM 479 N ASP A 470 -8.565 9.457 0.312 1.00 0.00 N ATOM 480 CA ASP A 470 -9.583 10.347 -0.245 1.00 0.00 C ATOM 481 C ASP A 470 -9.723 10.253 -1.778 1.00 0.00 C ATOM 482 O ASP A 470 -10.810 10.446 -2.328 1.00 0.00 O ATOM 483 CB ASP A 470 -9.301 11.790 0.193 1.00 0.00 C ATOM 484 CG ASP A 470 -8.274 12.539 -0.683 1.00 0.00 C ATOM 485 OD1 ASP A 470 -7.104 12.102 -0.771 1.00 0.00 O ATOM 486 OD2 ASP A 470 -8.646 13.576 -1.283 1.00 0.00 O ATOM 0 H ASP A 470 -7.855 9.953 0.851 1.00 0.00 H new ATOM 0 HA ASP A 470 -10.543 10.017 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -10.238 12.347 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -8.942 11.780 1.222 1.00 0.00 H new ATOM 491 N ALA A 471 -8.621 9.907 -2.446 1.00 0.00 N ATOM 492 CA ALA A 471 -8.493 9.679 -3.883 1.00 0.00 C ATOM 493 C ALA A 471 -8.016 8.260 -4.260 1.00 0.00 C ATOM 494 O ALA A 471 -8.038 7.890 -5.436 1.00 0.00 O ATOM 495 CB ALA A 471 -7.569 10.767 -4.441 1.00 0.00 C ATOM 0 H ALA A 471 -7.734 9.770 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 471 -9.483 9.743 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 471 -7.450 10.628 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 471 -8.004 11.748 -4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 471 -6.595 10.701 -3.957 1.00 0.00 H new ATOM 501 N LEU A 472 -7.628 7.448 -3.269 1.00 0.00 N ATOM 502 CA LEU A 472 -6.918 6.181 -3.444 1.00 0.00 C ATOM 503 C LEU A 472 -7.613 4.947 -2.844 1.00 0.00 C ATOM 504 O LEU A 472 -7.352 3.835 -3.289 1.00 0.00 O ATOM 505 CB LEU A 472 -5.519 6.428 -2.853 1.00 0.00 C ATOM 506 CG LEU A 472 -4.432 5.481 -3.354 1.00 0.00 C ATOM 507 CD1 LEU A 472 -3.163 6.281 -3.637 1.00 0.00 C ATOM 508 CD2 LEU A 472 -4.170 4.327 -2.390 1.00 0.00 C ATOM 0 H LEU A 472 -7.808 7.666 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.885 5.916 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -5.221 7.452 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -5.580 6.346 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.779 5.018 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -2.382 5.610 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -3.370 7.035 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -2.829 6.770 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -3.388 3.685 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -3.850 4.723 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.084 3.748 -2.259 1.00 0.00 H new ATOM 520 N SER A 473 -8.538 5.107 -1.890 1.00 0.00 N ATOM 521 CA SER A 473 -9.262 3.991 -1.247 1.00 0.00 C ATOM 522 C SER A 473 -10.154 3.201 -2.212 1.00 0.00 C ATOM 523 O SER A 473 -10.365 1.997 -2.049 1.00 0.00 O ATOM 524 CB SER A 473 -10.074 4.520 -0.071 1.00 0.00 C ATOM 525 OG SER A 473 -10.526 3.471 0.765 1.00 0.00 O ATOM 0 H SER A 473 -8.812 6.023 -1.535 1.00 0.00 H new ATOM 0 HA SER A 473 -8.510 3.284 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 473 -9.465 5.212 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.930 5.084 -0.443 1.00 0.00 H new ATOM 0 HG SER A 473 -11.042 3.845 1.510 1.00 0.00 H new ATOM 531 N GLY A 474 -10.596 3.861 -3.285 1.00 0.00 N ATOM 532 CA GLY A 474 -11.257 3.238 -4.439 1.00 0.00 C ATOM 533 C GLY A 474 -10.364 2.269 -5.239 1.00 0.00 C ATOM 534 O GLY A 474 -10.869 1.559 -6.111 1.00 0.00 O ATOM 0 H GLY A 474 -10.502 4.872 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.137 2.697 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -11.610 4.023 -5.108 1.00 0.00 H new ATOM 538 N THR A 475 -9.058 2.210 -4.944 1.00 0.00 N ATOM 539 CA THR A 475 -8.086 1.259 -5.511 1.00 0.00 C ATOM 540 C THR A 475 -7.679 0.217 -4.456 1.00 0.00 C ATOM 541 O THR A 475 -6.925 0.550 -3.538 1.00 0.00 O ATOM 542 CB THR A 475 -6.863 1.976 -6.108 1.00 0.00 C ATOM 543 OG1 THR A 475 -7.272 2.993 -7.004 1.00 0.00 O ATOM 544 CG2 THR A 475 -6.009 1.017 -6.933 1.00 0.00 C ATOM 0 H THR A 475 -8.630 2.850 -4.275 1.00 0.00 H new ATOM 0 HA THR A 475 -8.569 0.735 -6.336 1.00 0.00 H new ATOM 0 HB THR A 475 -6.301 2.379 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 475 -6.812 3.829 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 475 -5.152 1.553 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 475 -5.659 0.203 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 475 -6.605 0.609 -7.749 1.00 0.00 H new ATOM 552 N PRO A 476 -8.165 -1.042 -4.539 1.00 0.00 N ATOM 553 CA PRO A 476 -7.774 -2.104 -3.609 1.00 0.00 C ATOM 554 C PRO A 476 -6.295 -2.417 -3.740 1.00 0.00 C ATOM 555 O PRO A 476 -5.761 -2.384 -4.847 1.00 0.00 O ATOM 556 CB PRO A 476 -8.594 -3.342 -3.991 1.00 0.00 C ATOM 557 CG PRO A 476 -8.976 -3.090 -5.448 1.00 0.00 C ATOM 558 CD PRO A 476 -9.046 -1.573 -5.569 1.00 0.00 C ATOM 0 HA PRO A 476 -7.958 -1.798 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 476 -8.011 -4.257 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 476 -9.476 -3.449 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 476 -8.236 -3.509 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 476 -9.932 -3.552 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 476 -8.728 -1.246 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 476 -10.067 -1.218 -5.429 1.00 0.00 H new ATOM 566 N TRP A 477 -5.659 -2.834 -2.641 1.00 0.00 N ATOM 567 CA TRP A 477 -4.217 -3.107 -2.551 1.00 0.00 C ATOM 568 C TRP A 477 -3.649 -3.988 -3.670 1.00 0.00 C ATOM 569 O TRP A 477 -2.481 -3.892 -4.025 1.00 0.00 O ATOM 570 CB TRP A 477 -3.914 -3.796 -1.221 1.00 0.00 C ATOM 571 CG TRP A 477 -4.323 -5.239 -1.131 1.00 0.00 C ATOM 572 CD1 TRP A 477 -5.576 -5.722 -0.950 1.00 0.00 C ATOM 573 CD2 TRP A 477 -3.465 -6.412 -1.249 1.00 0.00 C ATOM 574 NE1 TRP A 477 -5.537 -7.094 -0.872 1.00 0.00 N ATOM 575 CE2 TRP A 477 -4.263 -7.583 -1.078 1.00 0.00 C ATOM 576 CE3 TRP A 477 -2.088 -6.601 -1.490 1.00 0.00 C ATOM 577 CZ2 TRP A 477 -3.712 -8.876 -1.134 1.00 0.00 C ATOM 578 CZ3 TRP A 477 -1.533 -7.887 -1.529 1.00 0.00 C ATOM 579 CH2 TRP A 477 -2.334 -9.027 -1.364 1.00 0.00 C ATOM 0 H TRP A 477 -6.147 -2.997 -1.760 1.00 0.00 H new ATOM 0 HA TRP A 477 -3.739 -2.132 -2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 477 -2.843 -3.728 -1.033 1.00 0.00 H new ATOM 0 HB3 TRP A 477 -4.413 -3.245 -0.424 1.00 0.00 H new ATOM 0 HD1 TRP A 477 -6.470 -5.120 -0.878 1.00 0.00 H new ATOM 0 HE1 TRP A 477 -6.351 -7.680 -0.685 1.00 0.00 H new ATOM 0 HE3 TRP A 477 -1.452 -5.742 -1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 477 -4.341 -9.744 -1.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 477 -0.471 -8.003 -1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 477 -1.895 -10.013 -1.413 1.00 0.00 H new ATOM 590 N ILE A 478 -4.494 -4.833 -4.244 1.00 0.00 N ATOM 591 CA ILE A 478 -4.121 -5.834 -5.238 1.00 0.00 C ATOM 592 C ILE A 478 -4.070 -5.222 -6.643 1.00 0.00 C ATOM 593 O ILE A 478 -3.246 -5.626 -7.459 1.00 0.00 O ATOM 594 CB ILE A 478 -5.044 -7.068 -5.122 1.00 0.00 C ATOM 595 CG1 ILE A 478 -4.446 -8.335 -5.761 1.00 0.00 C ATOM 596 CG2 ILE A 478 -6.431 -6.819 -5.737 1.00 0.00 C ATOM 597 CD1 ILE A 478 -3.259 -8.910 -4.979 1.00 0.00 C ATOM 0 H ILE A 478 -5.490 -4.842 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 478 -3.109 -6.188 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 478 -5.145 -7.234 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -5.223 -9.095 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -4.125 -8.104 -6.776 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -7.042 -7.715 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -6.913 -5.988 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -6.322 -6.577 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.887 -9.801 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.465 -8.166 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -3.580 -9.173 -3.971 1.00 0.00 H new ATOM 609 N GLU A 479 -4.902 -4.204 -6.916 1.00 0.00 N ATOM 610 CA GLU A 479 -4.751 -3.362 -8.114 1.00 0.00 C ATOM 611 C GLU A 479 -3.760 -2.208 -7.848 1.00 0.00 C ATOM 612 O GLU A 479 -3.258 -1.576 -8.779 1.00 0.00 O ATOM 613 CB GLU A 479 -6.115 -2.795 -8.543 1.00 0.00 C ATOM 614 CG GLU A 479 -7.067 -3.895 -9.033 1.00 0.00 C ATOM 615 CD GLU A 479 -8.335 -3.293 -9.668 1.00 0.00 C ATOM 616 OE1 GLU A 479 -8.325 -3.002 -10.890 1.00 0.00 O ATOM 617 OE2 GLU A 479 -9.354 -3.115 -8.959 1.00 0.00 O ATOM 0 H GLU A 479 -5.689 -3.944 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 479 -4.355 -3.981 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 479 -6.570 -2.270 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 479 -5.969 -2.062 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 479 -6.556 -4.524 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 479 -7.345 -4.537 -8.197 1.00 0.00 H new ATOM 624 N LEU A 480 -3.476 -1.938 -6.570 1.00 0.00 N ATOM 625 CA LEU A 480 -2.737 -0.785 -6.076 1.00 0.00 C ATOM 626 C LEU A 480 -1.238 -0.931 -6.077 1.00 0.00 C ATOM 627 O LEU A 480 -0.532 -0.061 -6.575 1.00 0.00 O ATOM 628 CB LEU A 480 -3.112 -0.548 -4.614 1.00 0.00 C ATOM 629 CG LEU A 480 -2.651 0.789 -4.063 1.00 0.00 C ATOM 630 CD1 LEU A 480 -3.562 1.811 -4.685 1.00 0.00 C ATOM 631 CD2 LEU A 480 -2.806 0.803 -2.551 1.00 0.00 C ATOM 0 H LEU A 480 -3.775 -2.556 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 480 -3.004 0.024 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 480 -4.195 -0.616 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 480 -2.684 -1.346 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 480 -1.603 0.988 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 480 -3.288 2.805 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 480 -3.466 1.772 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 480 -4.593 1.598 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 480 -2.474 1.765 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 480 -3.853 0.648 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 480 -2.202 0.006 -2.116 1.00 0.00 H new ATOM 643 N ILE A 481 -0.735 -1.992 -5.451 1.00 0.00 N ATOM 644 CA ILE A 481 0.691 -2.120 -5.183 1.00 0.00 C ATOM 645 C ILE A 481 1.509 -2.138 -6.492 1.00 0.00 C ATOM 646 O ILE A 481 2.711 -1.889 -6.521 1.00 0.00 O ATOM 647 CB ILE A 481 0.946 -3.375 -4.318 1.00 0.00 C ATOM 648 CG1 ILE A 481 0.531 -4.644 -5.100 1.00 0.00 C ATOM 649 CG2 ILE A 481 0.290 -3.180 -2.935 1.00 0.00 C ATOM 650 CD1 ILE A 481 0.582 -5.929 -4.289 1.00 0.00 C ATOM 0 H ILE A 481 -1.297 -2.776 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 481 1.028 -1.248 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 481 2.006 -3.521 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 481 -0.482 -4.508 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 481 1.183 -4.750 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 481 0.467 -4.063 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 481 0.722 -2.306 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 481 -0.783 -3.033 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 481 0.276 -6.767 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 481 1.599 -6.095 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 481 -0.092 -5.848 -3.436 1.00 0.00 H new ATOM 662 N TYR A 482 0.791 -2.403 -7.584 1.00 0.00 N ATOM 663 CA TYR A 482 1.182 -2.459 -8.986 1.00 0.00 C ATOM 664 C TYR A 482 1.446 -1.084 -9.618 1.00 0.00 C ATOM 665 O TYR A 482 1.983 -1.014 -10.728 1.00 0.00 O ATOM 666 CB TYR A 482 0.007 -3.108 -9.723 1.00 0.00 C ATOM 667 CG TYR A 482 -0.198 -4.607 -9.580 1.00 0.00 C ATOM 668 CD1 TYR A 482 0.625 -5.417 -8.767 1.00 0.00 C ATOM 669 CD2 TYR A 482 -1.277 -5.184 -10.276 1.00 0.00 C ATOM 670 CE1 TYR A 482 0.359 -6.793 -8.630 1.00 0.00 C ATOM 671 CE2 TYR A 482 -1.541 -6.559 -10.160 1.00 0.00 C ATOM 672 CZ TYR A 482 -0.730 -7.364 -9.334 1.00 0.00 C ATOM 673 OH TYR A 482 -1.007 -8.693 -9.241 1.00 0.00 O ATOM 0 H TYR A 482 -0.204 -2.609 -7.489 1.00 0.00 H new ATOM 0 HA TYR A 482 2.118 -3.012 -9.062 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -0.906 -2.615 -9.390 1.00 0.00 H new ATOM 0 HB3 TYR A 482 0.119 -2.888 -10.785 1.00 0.00 H new ATOM 0 HD1 TYR A 482 1.464 -4.978 -8.247 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -1.905 -4.567 -10.902 1.00 0.00 H new ATOM 0 HE1 TYR A 482 0.979 -7.407 -7.994 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -2.364 -6.999 -10.703 1.00 0.00 H new ATOM 0 HH TYR A 482 -1.790 -8.903 -9.792 1.00 0.00 H new ATOM 683 N LEU A 483 1.061 0.004 -8.941 1.00 0.00 N ATOM 684 CA LEU A 483 1.379 1.370 -9.378 1.00 0.00 C ATOM 685 C LEU A 483 2.893 1.642 -9.265 1.00 0.00 C ATOM 686 O LEU A 483 3.710 0.781 -8.928 1.00 0.00 O ATOM 687 CB LEU A 483 0.583 2.426 -8.584 1.00 0.00 C ATOM 688 CG LEU A 483 -0.950 2.269 -8.572 1.00 0.00 C ATOM 689 CD1 LEU A 483 -1.556 2.939 -7.357 1.00 0.00 C ATOM 690 CD2 LEU A 483 -1.592 3.024 -9.730 1.00 0.00 C ATOM 0 H LEU A 483 0.521 -0.036 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 483 1.085 1.451 -10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 483 0.935 2.413 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 483 0.822 3.409 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 483 -1.129 1.194 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 483 -2.639 2.813 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 483 -1.152 2.485 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 483 -1.314 4.002 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 483 -2.674 2.894 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 483 -1.351 4.084 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 483 -1.211 2.635 -10.674 1.00 0.00 H new ATOM 702 N ASP A 484 3.266 2.879 -9.558 1.00 0.00 N ATOM 703 CA ASP A 484 4.634 3.358 -9.694 1.00 0.00 C ATOM 704 C ASP A 484 4.789 4.744 -9.058 1.00 0.00 C ATOM 705 O ASP A 484 3.813 5.355 -8.612 1.00 0.00 O ATOM 706 CB ASP A 484 4.898 3.502 -11.192 1.00 0.00 C ATOM 707 CG ASP A 484 6.381 3.534 -11.610 1.00 0.00 C ATOM 708 OD1 ASP A 484 7.274 3.306 -10.760 1.00 0.00 O ATOM 709 OD2 ASP A 484 6.656 3.797 -12.805 1.00 0.00 O ATOM 0 H ASP A 484 2.582 3.619 -9.716 1.00 0.00 H new ATOM 0 HA ASP A 484 5.321 2.667 -9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 484 4.412 2.675 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 484 4.422 4.419 -11.540 1.00 0.00 H new ATOM 714 N ASP A 485 6.009 5.270 -9.138 1.00 0.00 N ATOM 715 CA ASP A 485 6.396 6.618 -8.761 1.00 0.00 C ATOM 716 C ASP A 485 5.407 7.691 -9.245 1.00 0.00 C ATOM 717 O ASP A 485 4.629 8.217 -8.454 1.00 0.00 O ATOM 718 CB ASP A 485 7.840 6.865 -9.234 1.00 0.00 C ATOM 719 CG ASP A 485 8.365 8.236 -8.800 1.00 0.00 C ATOM 720 OD1 ASP A 485 8.400 8.518 -7.584 1.00 0.00 O ATOM 721 OD2 ASP A 485 8.713 9.068 -9.668 1.00 0.00 O ATOM 0 H ASP A 485 6.799 4.729 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 485 6.361 6.704 -7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 485 8.489 6.086 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 485 7.882 6.789 -10.321 1.00 0.00 H new ATOM 726 N GLU A 486 5.389 8.014 -10.538 1.00 0.00 N ATOM 727 CA GLU A 486 4.529 9.055 -11.073 1.00 0.00 C ATOM 728 C GLU A 486 3.064 8.625 -11.210 1.00 0.00 C ATOM 729 O GLU A 486 2.199 9.472 -11.413 1.00 0.00 O ATOM 730 CB GLU A 486 5.110 9.510 -12.420 1.00 0.00 C ATOM 731 CG GLU A 486 4.749 10.976 -12.644 1.00 0.00 C ATOM 732 CD GLU A 486 5.119 11.503 -14.043 1.00 0.00 C ATOM 733 OE1 GLU A 486 6.297 11.389 -14.460 1.00 0.00 O ATOM 734 OE2 GLU A 486 4.225 12.063 -14.728 1.00 0.00 O ATOM 0 H GLU A 486 5.972 7.558 -11.239 1.00 0.00 H new ATOM 0 HA GLU A 486 4.512 9.884 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 486 6.193 9.383 -12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 486 4.713 8.896 -13.228 1.00 0.00 H new ATOM 0 HG2 GLU A 486 3.678 11.104 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 486 5.254 11.583 -11.893 1.00 0.00 H new ATOM 741 N THR A 487 2.735 7.339 -11.076 1.00 0.00 N ATOM 742 CA THR A 487 1.338 6.900 -11.242 1.00 0.00 C ATOM 743 C THR A 487 0.477 7.083 -10.006 1.00 0.00 C ATOM 744 O THR A 487 -0.701 7.421 -10.120 1.00 0.00 O ATOM 745 CB THR A 487 1.227 5.463 -11.774 1.00 0.00 C ATOM 746 OG1 THR A 487 2.054 5.283 -12.905 1.00 0.00 O ATOM 747 CG2 THR A 487 -0.202 5.098 -12.187 1.00 0.00 C ATOM 0 H THR A 487 3.396 6.594 -10.858 1.00 0.00 H new ATOM 0 HA THR A 487 0.936 7.574 -11.999 1.00 0.00 H new ATOM 0 HB THR A 487 1.539 4.817 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 487 1.971 4.361 -13.228 1.00 0.00 H new ATOM 0 HG21 THR A 487 -0.224 4.072 -12.555 1.00 0.00 H new ATOM 0 HG22 THR A 487 -0.864 5.188 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 487 -0.537 5.773 -12.974 1.00 0.00 H new ATOM 755 N LEU A 488 1.056 6.989 -8.817 1.00 0.00 N ATOM 756 CA LEU A 488 0.408 7.412 -7.582 1.00 0.00 C ATOM 757 C LEU A 488 0.011 8.893 -7.638 1.00 0.00 C ATOM 758 O LEU A 488 -0.985 9.340 -7.077 1.00 0.00 O ATOM 759 CB LEU A 488 1.439 7.128 -6.486 1.00 0.00 C ATOM 760 CG LEU A 488 1.488 5.633 -6.155 1.00 0.00 C ATOM 761 CD1 LEU A 488 2.696 5.379 -5.267 1.00 0.00 C ATOM 762 CD2 LEU A 488 0.209 5.215 -5.434 1.00 0.00 C ATOM 0 H LEU A 488 1.995 6.615 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 488 -0.526 6.880 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 488 2.423 7.465 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 488 1.188 7.695 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 488 1.570 5.049 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 488 2.749 4.319 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 488 3.603 5.675 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 488 2.603 5.961 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 488 0.253 4.151 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 488 0.110 5.783 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 488 -0.651 5.412 -6.074 1.00 0.00 H new ATOM 774 N GLU A 489 0.755 9.663 -8.411 1.00 0.00 N ATOM 775 CA GLU A 489 0.577 11.063 -8.687 1.00 0.00 C ATOM 776 C GLU A 489 -0.420 11.331 -9.835 1.00 0.00 C ATOM 777 O GLU A 489 -0.750 12.478 -10.126 1.00 0.00 O ATOM 778 CB GLU A 489 2.017 11.491 -8.893 1.00 0.00 C ATOM 779 CG GLU A 489 2.217 12.921 -9.353 1.00 0.00 C ATOM 780 CD GLU A 489 3.602 13.471 -8.992 1.00 0.00 C ATOM 781 OE1 GLU A 489 3.984 13.407 -7.798 1.00 0.00 O ATOM 782 OE2 GLU A 489 4.311 13.983 -9.890 1.00 0.00 O ATOM 0 H GLU A 489 1.567 9.285 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 489 0.092 11.650 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 489 2.556 11.351 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 489 2.473 10.826 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 489 2.080 12.973 -10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 489 1.451 13.553 -8.904 1.00 0.00 H new ATOM 789 N LYS A 490 -0.975 10.282 -10.454 1.00 0.00 N ATOM 790 CA LYS A 490 -2.159 10.340 -11.300 1.00 0.00 C ATOM 791 C LYS A 490 -3.408 9.916 -10.498 1.00 0.00 C ATOM 792 O LYS A 490 -4.529 10.227 -10.901 1.00 0.00 O ATOM 793 CB LYS A 490 -1.944 9.461 -12.527 1.00 0.00 C ATOM 794 CG LYS A 490 -0.639 9.689 -13.279 1.00 0.00 C ATOM 795 CD LYS A 490 -0.401 11.115 -13.748 1.00 0.00 C ATOM 796 CE LYS A 490 1.086 11.235 -14.096 1.00 0.00 C ATOM 797 NZ LYS A 490 1.462 12.566 -14.631 1.00 0.00 N ATOM 0 H LYS A 490 -0.594 9.339 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 490 -2.325 11.362 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 490 -1.986 8.417 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 490 -2.773 9.621 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 490 0.189 9.393 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 490 -0.619 9.030 -14.147 1.00 0.00 H new ATOM 0 HD2 LYS A 490 -1.019 11.343 -14.617 1.00 0.00 H new ATOM 0 HD3 LYS A 490 -0.672 11.827 -12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 490 1.678 11.030 -13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 490 1.342 10.471 -14.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 490 2.492 12.608 -14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 490 0.987 12.720 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 490 1.171 13.305 -13.960 1.00 0.00 H new ATOM 811 N LYS A 491 -3.214 9.252 -9.341 1.00 0.00 N ATOM 812 CA LYS A 491 -4.232 8.894 -8.342 1.00 0.00 C ATOM 813 C LYS A 491 -4.513 10.052 -7.368 1.00 0.00 C ATOM 814 O LYS A 491 -5.672 10.265 -7.027 1.00 0.00 O ATOM 815 CB LYS A 491 -3.804 7.606 -7.597 1.00 0.00 C ATOM 816 CG LYS A 491 -3.766 6.338 -8.459 1.00 0.00 C ATOM 817 CD LYS A 491 -5.151 5.828 -8.871 1.00 0.00 C ATOM 818 CE LYS A 491 -5.044 4.417 -9.462 1.00 0.00 C ATOM 819 NZ LYS A 491 -6.382 3.793 -9.639 1.00 0.00 N ATOM 0 H LYS A 491 -2.285 8.934 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 491 -5.170 8.698 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 491 -2.815 7.765 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 491 -4.489 7.441 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 491 -3.181 6.538 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 491 -3.248 5.552 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 491 -5.815 5.818 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 491 -5.592 6.504 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 491 -4.534 4.463 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 491 -4.435 3.793 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 491 -6.302 2.975 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 491 -6.744 3.479 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 491 -7.038 4.488 -10.049 1.00 0.00 H new ATOM 833 N GLY A 492 -3.503 10.834 -6.955 1.00 0.00 N ATOM 834 CA GLY A 492 -3.607 12.013 -6.109 1.00 0.00 C ATOM 835 C GLY A 492 -2.716 11.980 -4.876 1.00 0.00 C ATOM 836 O GLY A 492 -2.894 12.757 -3.941 1.00 0.00 O ATOM 0 H GLY A 492 -2.538 10.641 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -3.356 12.893 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -4.643 12.127 -5.791 1.00 0.00 H new ATOM 840 N VAL A 493 -1.729 11.084 -4.880 1.00 0.00 N ATOM 841 CA VAL A 493 -0.630 11.069 -3.919 1.00 0.00 C ATOM 842 C VAL A 493 0.215 12.340 -4.030 1.00 0.00 C ATOM 843 O VAL A 493 0.728 12.884 -3.058 1.00 0.00 O ATOM 844 CB VAL A 493 0.165 9.788 -4.107 1.00 0.00 C ATOM 845 CG1 VAL A 493 1.367 9.761 -3.206 1.00 0.00 C ATOM 846 CG2 VAL A 493 -0.769 8.621 -3.790 1.00 0.00 C ATOM 0 H VAL A 493 -1.672 10.333 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 493 -1.015 11.072 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 493 0.533 9.720 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 493 1.917 8.833 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 493 2.013 10.609 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 493 1.044 9.821 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -0.232 7.681 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -1.120 8.705 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -1.622 8.644 -4.468 1.00 0.00 H new ATOM 856 N LEU A 494 0.278 12.827 -5.264 1.00 0.00 N ATOM 857 CA LEU A 494 0.706 14.129 -5.742 1.00 0.00 C ATOM 858 C LEU A 494 2.078 14.686 -5.266 1.00 0.00 C ATOM 859 O LEU A 494 2.355 15.877 -5.431 1.00 0.00 O ATOM 860 CB LEU A 494 -0.480 15.098 -5.533 1.00 0.00 C ATOM 861 CG LEU A 494 -1.574 15.098 -6.632 1.00 0.00 C ATOM 862 CD1 LEU A 494 -1.511 13.997 -7.679 1.00 0.00 C ATOM 863 CD2 LEU A 494 -2.965 15.401 -6.081 1.00 0.00 C ATOM 0 H LEU A 494 -0.007 12.240 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 494 0.952 14.009 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 494 -0.953 14.858 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 494 -0.083 16.110 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 494 -1.307 15.953 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 494 -2.334 14.118 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 494 -0.563 14.057 -8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 494 -1.591 13.026 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 494 -3.690 15.388 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 494 -3.236 14.647 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 494 -2.964 16.385 -5.612 1.00 0.00 H new ATOM 875 N ALA A 495 2.940 13.856 -4.675 1.00 0.00 N ATOM 876 CA ALA A 495 4.205 14.240 -4.050 1.00 0.00 C ATOM 877 C ALA A 495 5.188 13.084 -4.120 1.00 0.00 C ATOM 878 O ALA A 495 4.842 11.966 -3.744 1.00 0.00 O ATOM 879 CB ALA A 495 3.981 14.557 -2.567 1.00 0.00 C ATOM 0 H ALA A 495 2.766 12.853 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 495 4.593 15.111 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 495 4.928 14.842 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 495 3.271 15.379 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 495 3.585 13.676 -2.062 1.00 0.00 H new ATOM 885 N LEU A 496 6.433 13.364 -4.500 1.00 0.00 N ATOM 886 CA LEU A 496 7.542 12.415 -4.502 1.00 0.00 C ATOM 887 C LEU A 496 7.721 11.711 -3.173 1.00 0.00 C ATOM 888 O LEU A 496 7.773 10.486 -3.131 1.00 0.00 O ATOM 889 CB LEU A 496 8.789 13.145 -4.964 1.00 0.00 C ATOM 890 CG LEU A 496 10.121 12.378 -4.777 1.00 0.00 C ATOM 891 CD1 LEU A 496 11.097 12.812 -5.861 1.00 0.00 C ATOM 892 CD2 LEU A 496 10.831 12.661 -3.447 1.00 0.00 C ATOM 0 H LEU A 496 6.706 14.291 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 496 7.323 11.606 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 496 8.676 13.388 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 496 8.856 14.090 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 496 9.854 11.322 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 496 12.039 12.277 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 496 10.677 12.586 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 496 11.276 13.884 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 496 11.754 12.084 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 496 11.063 13.724 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 496 10.181 12.377 -2.620 1.00 0.00 H new ATOM 904 N GLY A 497 7.784 12.456 -2.075 1.00 0.00 N ATOM 905 CA GLY A 497 8.035 11.809 -0.797 1.00 0.00 C ATOM 906 C GLY A 497 6.817 11.132 -0.179 1.00 0.00 C ATOM 907 O GLY A 497 6.942 10.450 0.835 1.00 0.00 O ATOM 0 H GLY A 497 7.670 13.469 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 497 8.820 11.065 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 497 8.416 12.552 -0.097 1.00 0.00 H new ATOM 911 N ALA A 498 5.662 11.256 -0.830 1.00 0.00 N ATOM 912 CA ALA A 498 4.476 10.459 -0.527 1.00 0.00 C ATOM 913 C ALA A 498 4.484 9.181 -1.380 1.00 0.00 C ATOM 914 O ALA A 498 4.487 8.069 -0.858 1.00 0.00 O ATOM 915 CB ALA A 498 3.232 11.301 -0.786 1.00 0.00 C ATOM 0 H ALA A 498 5.522 11.920 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 498 4.475 10.160 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 498 2.342 10.713 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 498 3.252 12.186 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 498 3.211 11.607 -1.832 1.00 0.00 H new ATOM 921 N ARG A 499 4.564 9.332 -2.706 1.00 0.00 N ATOM 922 CA ARG A 499 4.581 8.233 -3.679 1.00 0.00 C ATOM 923 C ARG A 499 5.753 7.255 -3.468 1.00 0.00 C ATOM 924 O ARG A 499 5.569 6.063 -3.642 1.00 0.00 O ATOM 925 CB ARG A 499 4.458 8.793 -5.118 1.00 0.00 C ATOM 926 CG ARG A 499 5.679 9.591 -5.571 1.00 0.00 C ATOM 927 CD ARG A 499 5.488 10.623 -6.696 1.00 0.00 C ATOM 928 NE ARG A 499 6.725 10.766 -7.487 1.00 0.00 N ATOM 929 CZ ARG A 499 7.227 11.812 -8.111 1.00 0.00 C ATOM 930 NH1 ARG A 499 6.678 12.989 -8.085 1.00 0.00 N ATOM 931 NH2 ARG A 499 8.326 11.680 -8.790 1.00 0.00 N ATOM 0 H ARG A 499 4.620 10.250 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 499 3.703 7.610 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 499 4.299 7.965 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 499 3.576 9.430 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 499 6.078 10.114 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 499 6.441 8.882 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 499 4.669 10.313 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 499 5.210 11.587 -6.269 1.00 0.00 H new ATOM 0 HE ARG A 499 7.283 9.916 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 499 5.815 13.138 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 499 7.110 13.765 -8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 499 8.791 10.773 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 499 8.724 12.483 -9.277 1.00 0.00 H new ATOM 945 N ARG A 500 6.924 7.689 -2.979 1.00 0.00 N ATOM 946 CA ARG A 500 8.136 6.891 -2.707 1.00 0.00 C ATOM 947 C ARG A 500 7.994 6.142 -1.384 1.00 0.00 C ATOM 948 O ARG A 500 8.354 4.972 -1.280 1.00 0.00 O ATOM 949 CB ARG A 500 9.282 7.900 -2.678 1.00 0.00 C ATOM 950 CG ARG A 500 10.577 7.305 -2.164 1.00 0.00 C ATOM 951 CD ARG A 500 11.664 8.360 -2.326 1.00 0.00 C ATOM 952 NE ARG A 500 12.968 7.884 -1.827 1.00 0.00 N ATOM 953 CZ ARG A 500 14.113 8.545 -1.833 1.00 0.00 C ATOM 954 NH1 ARG A 500 14.211 9.758 -2.301 1.00 0.00 N ATOM 955 NH2 ARG A 500 15.196 7.995 -1.362 1.00 0.00 N ATOM 0 H ARG A 500 7.062 8.672 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 500 8.312 6.125 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 500 9.441 8.291 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 500 9.001 8.744 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 500 10.477 7.016 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 500 10.832 6.404 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 500 11.754 8.630 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 500 11.377 9.263 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 500 12.989 6.943 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 500 13.388 10.227 -2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 500 15.111 10.238 -2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 500 15.164 7.048 -0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 500 16.075 8.512 -1.370 1.00 0.00 H new ATOM 969 N LYS A 501 7.399 6.796 -0.384 1.00 0.00 N ATOM 970 CA LYS A 501 6.920 6.112 0.836 1.00 0.00 C ATOM 971 C LYS A 501 5.981 4.985 0.480 1.00 0.00 C ATOM 972 O LYS A 501 5.955 3.945 1.134 1.00 0.00 O ATOM 973 CB LYS A 501 6.078 7.081 1.670 1.00 0.00 C ATOM 974 CG LYS A 501 6.439 7.204 3.159 1.00 0.00 C ATOM 975 CD LYS A 501 7.912 7.508 3.484 1.00 0.00 C ATOM 976 CE LYS A 501 8.427 8.781 2.803 1.00 0.00 C ATOM 977 NZ LYS A 501 9.791 9.141 3.270 1.00 0.00 N ATOM 0 H LYS A 501 7.233 7.802 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 501 7.798 5.751 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 501 6.152 8.071 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 501 5.035 6.775 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.824 7.991 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 501 6.165 6.273 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 501 8.027 7.609 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 501 8.528 6.663 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 501 8.439 8.637 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 501 7.743 9.605 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 10.106 10.007 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 9.775 9.303 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 10.448 8.365 3.053 1.00 0.00 H new ATOM 991 N LEU A 502 5.179 5.220 -0.549 1.00 0.00 N ATOM 992 CA LEU A 502 4.244 4.218 -0.963 1.00 0.00 C ATOM 993 C LEU A 502 4.944 3.074 -1.704 1.00 0.00 C ATOM 994 O LEU A 502 4.519 1.934 -1.587 1.00 0.00 O ATOM 995 CB LEU A 502 3.145 4.821 -1.824 1.00 0.00 C ATOM 996 CG LEU A 502 1.828 4.979 -1.053 1.00 0.00 C ATOM 997 CD1 LEU A 502 1.927 6.046 0.030 1.00 0.00 C ATOM 998 CD2 LEU A 502 0.733 5.406 -2.014 1.00 0.00 C ATOM 0 H LEU A 502 5.165 6.082 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 502 3.786 3.805 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 502 3.467 5.795 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 502 2.980 4.188 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 502 1.607 4.018 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 502 0.973 6.125 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.707 5.772 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.172 7.005 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 502 -0.205 5.519 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 502 1.003 6.357 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 502 0.614 4.649 -2.789 1.00 0.00 H new ATOM 1010 N LEU A 503 6.039 3.339 -2.426 1.00 0.00 N ATOM 1011 CA LEU A 503 6.827 2.350 -3.126 1.00 0.00 C ATOM 1012 C LEU A 503 7.474 1.389 -2.125 1.00 0.00 C ATOM 1013 O LEU A 503 7.549 0.188 -2.389 1.00 0.00 O ATOM 1014 CB LEU A 503 7.868 3.097 -3.983 1.00 0.00 C ATOM 1015 CG LEU A 503 7.364 3.688 -5.313 1.00 0.00 C ATOM 1016 CD1 LEU A 503 5.865 3.614 -5.614 1.00 0.00 C ATOM 1017 CD2 LEU A 503 7.926 5.036 -5.753 1.00 0.00 C ATOM 0 H LEU A 503 6.403 4.285 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 503 6.205 1.741 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 503 8.284 3.908 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 503 8.686 2.410 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 503 7.837 2.935 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 503 5.666 4.070 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 503 5.548 2.571 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 503 5.312 4.148 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 503 7.479 5.323 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 503 7.694 5.790 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 503 9.007 4.959 -5.868 1.00 0.00 H new ATOM 1029 N LYS A 504 7.859 1.910 -0.946 1.00 0.00 N ATOM 1030 CA LYS A 504 8.247 1.104 0.215 1.00 0.00 C ATOM 1031 C LYS A 504 7.106 0.155 0.587 1.00 0.00 C ATOM 1032 O LYS A 504 7.249 -1.062 0.538 1.00 0.00 O ATOM 1033 CB LYS A 504 8.633 2.006 1.412 1.00 0.00 C ATOM 1034 CG LYS A 504 8.902 1.268 2.739 1.00 0.00 C ATOM 1035 CD LYS A 504 8.507 2.072 3.991 1.00 0.00 C ATOM 1036 CE LYS A 504 6.998 2.022 4.332 1.00 0.00 C ATOM 1037 NZ LYS A 504 6.785 2.288 5.782 1.00 0.00 N ATOM 0 H LYS A 504 7.908 2.914 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 504 9.125 0.513 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 504 9.525 2.573 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 504 7.833 2.728 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 504 8.354 0.326 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 504 9.962 1.021 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 504 9.073 1.695 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 504 8.801 3.112 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 504 6.460 2.760 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 504 6.592 1.045 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 504 5.768 2.251 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 504 7.283 1.568 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 504 7.155 3.230 6.020 1.00 0.00 H new ATOM 1051 N ALA A 505 5.967 0.743 0.951 1.00 0.00 N ATOM 1052 CA ALA A 505 4.759 0.089 1.429 1.00 0.00 C ATOM 1053 C ALA A 505 4.361 -1.065 0.494 1.00 0.00 C ATOM 1054 O ALA A 505 4.237 -2.230 0.896 1.00 0.00 O ATOM 1055 CB ALA A 505 3.708 1.199 1.545 1.00 0.00 C ATOM 0 H ALA A 505 5.861 1.757 0.916 1.00 0.00 H new ATOM 0 HA ALA A 505 4.887 -0.388 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 505 2.769 0.775 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 505 4.055 1.956 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 505 3.552 1.656 0.568 1.00 0.00 H new ATOM 1061 N PHE A 506 4.276 -0.716 -0.791 1.00 0.00 N ATOM 1062 CA PHE A 506 3.988 -1.600 -1.892 1.00 0.00 C ATOM 1063 C PHE A 506 4.983 -2.723 -1.953 1.00 0.00 C ATOM 1064 O PHE A 506 4.572 -3.857 -1.763 1.00 0.00 O ATOM 1065 CB PHE A 506 3.915 -0.860 -3.231 1.00 0.00 C ATOM 1066 CG PHE A 506 2.760 0.104 -3.377 1.00 0.00 C ATOM 1067 CD1 PHE A 506 1.698 0.122 -2.452 1.00 0.00 C ATOM 1068 CD2 PHE A 506 2.737 0.971 -4.480 1.00 0.00 C ATOM 1069 CE1 PHE A 506 0.675 1.070 -2.567 1.00 0.00 C ATOM 1070 CE2 PHE A 506 1.677 1.877 -4.630 1.00 0.00 C ATOM 1071 CZ PHE A 506 0.667 1.950 -3.656 1.00 0.00 C ATOM 0 H PHE A 506 4.416 0.248 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 506 3.000 -2.023 -1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 506 4.845 -0.310 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 506 3.854 -1.597 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 506 1.673 -0.600 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 506 3.532 0.941 -5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -0.104 1.122 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 506 1.637 2.520 -5.497 1.00 0.00 H new ATOM 0 HZ PHE A 506 -0.117 2.687 -3.748 1.00 0.00 H new ATOM 1081 N GLY A 507 6.271 -2.482 -2.201 1.00 0.00 N ATOM 1082 CA GLY A 507 7.115 -3.628 -2.449 1.00 0.00 C ATOM 1083 C GLY A 507 7.442 -4.515 -1.254 1.00 0.00 C ATOM 1084 O GLY A 507 7.921 -5.625 -1.469 1.00 0.00 O ATOM 0 H GLY A 507 6.720 -1.567 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 507 6.635 -4.245 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 507 8.053 -3.272 -2.874 1.00 0.00 H new ATOM 1088 N ILE A 508 7.137 -4.096 -0.019 1.00 0.00 N ATOM 1089 CA ILE A 508 7.127 -5.022 1.116 1.00 0.00 C ATOM 1090 C ILE A 508 5.936 -5.956 0.908 1.00 0.00 C ATOM 1091 O ILE A 508 6.142 -7.158 0.858 1.00 0.00 O ATOM 1092 CB ILE A 508 7.079 -4.330 2.499 1.00 0.00 C ATOM 1093 CG1 ILE A 508 8.478 -3.928 3.021 1.00 0.00 C ATOM 1094 CG2 ILE A 508 6.516 -5.288 3.575 1.00 0.00 C ATOM 1095 CD1 ILE A 508 9.153 -2.761 2.304 1.00 0.00 C ATOM 0 H ILE A 508 6.897 -3.133 0.216 1.00 0.00 H new ATOM 0 HA ILE A 508 8.069 -5.570 1.136 1.00 0.00 H new ATOM 0 HB ILE A 508 6.455 -3.449 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 508 8.391 -3.677 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 508 9.132 -4.797 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 508 6.492 -4.779 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 508 5.506 -5.591 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 508 7.153 -6.170 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 508 10.126 -2.570 2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 508 9.284 -3.008 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 508 8.531 -1.870 2.393 1.00 0.00 H new ATOM 1107 N VAL A 509 4.704 -5.462 0.719 1.00 0.00 N ATOM 1108 CA VAL A 509 3.549 -6.350 0.520 1.00 0.00 C ATOM 1109 C VAL A 509 3.693 -7.132 -0.789 1.00 0.00 C ATOM 1110 O VAL A 509 3.280 -8.281 -0.851 1.00 0.00 O ATOM 1111 CB VAL A 509 2.220 -5.595 0.657 1.00 0.00 C ATOM 1112 CG1 VAL A 509 1.984 -4.594 -0.440 1.00 0.00 C ATOM 1113 CG2 VAL A 509 0.997 -6.506 0.718 1.00 0.00 C ATOM 0 H VAL A 509 4.483 -4.466 0.700 1.00 0.00 H new ATOM 0 HA VAL A 509 3.532 -7.092 1.318 1.00 0.00 H new ATOM 0 HB VAL A 509 2.333 -5.077 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 509 1.027 -4.098 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 509 2.783 -3.852 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 509 1.971 -5.105 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 509 0.096 -5.900 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 509 0.939 -7.099 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 509 1.081 -7.171 1.578 1.00 0.00 H new ATOM 1123 N ILE A 510 4.372 -6.587 -1.806 1.00 0.00 N ATOM 1124 CA ILE A 510 4.788 -7.329 -3.006 1.00 0.00 C ATOM 1125 C ILE A 510 5.653 -8.538 -2.670 1.00 0.00 C ATOM 1126 O ILE A 510 5.398 -9.625 -3.176 1.00 0.00 O ATOM 1127 CB ILE A 510 5.403 -6.451 -4.088 1.00 0.00 C ATOM 1128 CG1 ILE A 510 4.251 -5.568 -4.625 1.00 0.00 C ATOM 1129 CG2 ILE A 510 6.066 -7.252 -5.229 1.00 0.00 C ATOM 1130 CD1 ILE A 510 4.633 -4.598 -5.738 1.00 0.00 C ATOM 0 H ILE A 510 4.652 -5.606 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 510 3.866 -7.714 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 510 6.214 -5.859 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 510 3.457 -6.219 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 510 3.837 -4.996 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 510 6.483 -6.562 -5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 510 6.863 -7.874 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 510 5.321 -7.886 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 510 3.755 -4.028 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 510 5.402 -3.915 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 510 5.016 -5.157 -6.592 1.00 0.00 H new ATOM 1142 N ASP A 511 6.596 -8.410 -1.741 1.00 0.00 N ATOM 1143 CA ASP A 511 7.537 -9.454 -1.292 1.00 0.00 C ATOM 1144 C ASP A 511 6.957 -10.530 -0.415 1.00 0.00 C ATOM 1145 O ASP A 511 7.631 -11.311 0.253 1.00 0.00 O ATOM 1146 CB ASP A 511 8.674 -8.778 -0.554 1.00 0.00 C ATOM 1147 CG ASP A 511 9.992 -9.570 -0.524 1.00 0.00 C ATOM 1148 OD1 ASP A 511 10.388 -10.123 -1.579 1.00 0.00 O ATOM 1149 OD2 ASP A 511 10.661 -9.603 0.538 1.00 0.00 O ATOM 0 H ASP A 511 6.739 -7.529 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 511 7.859 -9.972 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 511 8.861 -7.808 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 511 8.359 -8.587 0.472 1.00 0.00 H new ATOM 1154 N TYR A 512 5.654 -10.525 -0.478 1.00 0.00 N ATOM 1155 CA TYR A 512 4.757 -11.182 0.392 1.00 0.00 C ATOM 1156 C TYR A 512 3.525 -11.625 -0.398 1.00 0.00 C ATOM 1157 O TYR A 512 2.904 -12.616 -0.064 1.00 0.00 O ATOM 1158 CB TYR A 512 4.373 -10.145 1.436 1.00 0.00 C ATOM 1159 CG TYR A 512 4.998 -10.075 2.813 1.00 0.00 C ATOM 1160 CD1 TYR A 512 6.218 -9.393 2.954 1.00 0.00 C ATOM 1161 CD2 TYR A 512 4.307 -10.501 3.960 1.00 0.00 C ATOM 1162 CE1 TYR A 512 6.776 -9.154 4.220 1.00 0.00 C ATOM 1163 CE2 TYR A 512 4.886 -10.328 5.235 1.00 0.00 C ATOM 1164 CZ TYR A 512 6.123 -9.650 5.369 1.00 0.00 C ATOM 1165 OH TYR A 512 6.664 -9.433 6.599 1.00 0.00 O ATOM 0 H TYR A 512 5.164 -10.011 -1.210 1.00 0.00 H new ATOM 0 HA TYR A 512 5.194 -12.068 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 512 4.536 -9.171 0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 512 3.299 -10.249 1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 512 6.736 -9.046 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 512 3.334 -10.960 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 512 7.696 -8.596 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 512 4.385 -10.713 6.111 1.00 0.00 H new ATOM 0 HH TYR A 512 6.092 -9.838 7.284 1.00 0.00 H new ATOM 1175 N LYS A 513 3.167 -10.944 -1.488 1.00 0.00 N ATOM 1176 CA LYS A 513 2.032 -11.268 -2.341 1.00 0.00 C ATOM 1177 C LYS A 513 2.526 -12.073 -3.527 1.00 0.00 C ATOM 1178 O LYS A 513 2.018 -13.147 -3.829 1.00 0.00 O ATOM 1179 CB LYS A 513 1.413 -9.909 -2.681 1.00 0.00 C ATOM 1180 CG LYS A 513 0.369 -9.850 -3.788 1.00 0.00 C ATOM 1181 CD LYS A 513 1.007 -9.887 -5.177 1.00 0.00 C ATOM 1182 CE LYS A 513 -0.070 -9.838 -6.247 1.00 0.00 C ATOM 1183 NZ LYS A 513 0.446 -10.365 -7.538 1.00 0.00 N ATOM 0 H LYS A 513 3.681 -10.123 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 513 1.269 -11.898 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 513 0.958 -9.514 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 513 2.224 -9.232 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 513 -0.320 -10.688 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 513 -0.220 -8.939 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 513 1.687 -9.044 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 513 1.601 -10.794 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 513 -0.933 -10.423 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 513 -0.412 -8.812 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 513 -0.019 -9.870 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 513 1.473 -10.211 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 513 0.245 -11.383 -7.602 1.00 0.00 H new ATOM 1197 N GLU A 514 3.586 -11.568 -4.163 1.00 0.00 N ATOM 1198 CA GLU A 514 4.367 -12.264 -5.179 1.00 0.00 C ATOM 1199 C GLU A 514 5.100 -13.483 -4.571 1.00 0.00 C ATOM 1200 O GLU A 514 5.695 -14.281 -5.299 1.00 0.00 O ATOM 1201 CB GLU A 514 5.334 -11.225 -5.780 1.00 0.00 C ATOM 1202 CG GLU A 514 5.696 -11.512 -7.239 1.00 0.00 C ATOM 1203 CD GLU A 514 6.683 -10.471 -7.806 1.00 0.00 C ATOM 1204 OE1 GLU A 514 7.916 -10.619 -7.607 1.00 0.00 O ATOM 1205 OE2 GLU A 514 6.235 -9.511 -8.478 1.00 0.00 O ATOM 0 H GLU A 514 3.934 -10.628 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 514 3.732 -12.672 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 514 4.882 -10.236 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 514 6.246 -11.200 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 514 6.135 -12.507 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 514 4.789 -11.518 -7.843 1.00 0.00 H new ATOM 1212 N ARG A 515 5.055 -13.628 -3.230 1.00 0.00 N ATOM 1213 CA ARG A 515 5.655 -14.753 -2.460 1.00 0.00 C ATOM 1214 C ARG A 515 4.602 -15.686 -1.882 1.00 0.00 C ATOM 1215 O ARG A 515 4.722 -16.901 -2.030 1.00 0.00 O ATOM 1216 CB ARG A 515 6.591 -14.270 -1.336 1.00 0.00 C ATOM 1217 CG ARG A 515 7.997 -13.852 -1.798 1.00 0.00 C ATOM 1218 CD ARG A 515 7.882 -12.813 -2.906 1.00 0.00 C ATOM 1219 NE ARG A 515 9.118 -12.068 -3.161 1.00 0.00 N ATOM 1220 CZ ARG A 515 9.472 -11.546 -4.318 1.00 0.00 C ATOM 1221 NH1 ARG A 515 8.965 -11.961 -5.442 1.00 0.00 N ATOM 1222 NH2 ARG A 515 10.324 -10.569 -4.337 1.00 0.00 N ATOM 0 H ARG A 515 4.588 -12.949 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 515 6.250 -15.309 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 515 6.124 -13.424 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 515 6.689 -15.066 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 515 8.560 -13.443 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 515 8.547 -14.722 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 515 7.575 -13.311 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 515 7.093 -12.108 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 515 9.758 -11.943 -2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 515 8.273 -12.711 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 515 9.259 -11.537 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 515 10.712 -10.213 -3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 515 10.607 -10.156 -5.226 1.00 0.00 H new ATOM 1236 N ASP A 516 3.600 -15.095 -1.233 1.00 0.00 N ATOM 1237 CA ASP A 516 2.354 -15.685 -0.719 1.00 0.00 C ATOM 1238 C ASP A 516 2.432 -15.933 0.801 1.00 0.00 C ATOM 1239 O ASP A 516 2.374 -17.046 1.328 1.00 0.00 O ATOM 1240 CB ASP A 516 1.828 -16.864 -1.550 1.00 0.00 C ATOM 1241 CG ASP A 516 0.354 -17.194 -1.257 1.00 0.00 C ATOM 1242 OD1 ASP A 516 -0.351 -16.376 -0.617 1.00 0.00 O ATOM 1243 OD2 ASP A 516 -0.104 -18.290 -1.659 1.00 0.00 O ATOM 0 H ASP A 516 3.639 -14.096 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 516 1.570 -14.940 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 516 1.940 -16.633 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 516 2.439 -17.744 -1.349 1.00 0.00 H new ATOM 1248 N LEU A 517 2.612 -14.807 1.479 1.00 0.00 N ATOM 1249 CA LEU A 517 2.872 -14.513 2.887 1.00 0.00 C ATOM 1250 C LEU A 517 1.655 -13.831 3.545 1.00 0.00 C ATOM 1251 O LEU A 517 1.458 -13.945 4.756 1.00 0.00 O ATOM 1252 CB LEU A 517 4.111 -13.587 2.870 1.00 0.00 C ATOM 1253 CG LEU A 517 5.404 -14.225 2.318 1.00 0.00 C ATOM 1254 CD1 LEU A 517 6.643 -13.443 2.760 1.00 0.00 C ATOM 1255 CD2 LEU A 517 5.647 -15.678 2.732 1.00 0.00 C ATOM 0 H LEU A 517 2.572 -13.928 0.962 1.00 0.00 H new ATOM 0 HA LEU A 517 3.050 -15.414 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 517 3.877 -12.705 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 517 4.301 -13.243 3.887 1.00 0.00 H new ATOM 0 HG LEU A 517 5.250 -14.195 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 517 7.537 -13.918 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 517 6.578 -12.419 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 517 6.699 -13.434 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 517 6.580 -16.031 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 517 5.712 -15.741 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 517 4.823 -16.299 2.381 1.00 0.00 H new ATOM 1267 N ILE A 518 0.820 -13.153 2.744 1.00 0.00 N ATOM 1268 CA ILE A 518 -0.499 -12.620 3.131 1.00 0.00 C ATOM 1269 C ILE A 518 -1.499 -13.762 3.448 1.00 0.00 C ATOM 1270 O ILE A 518 -1.380 -14.875 2.939 1.00 0.00 O ATOM 1271 CB ILE A 518 -1.073 -11.723 2.006 1.00 0.00 C ATOM 1272 CG1 ILE A 518 -0.079 -10.885 1.181 1.00 0.00 C ATOM 1273 CG2 ILE A 518 -2.170 -10.797 2.547 1.00 0.00 C ATOM 1274 CD1 ILE A 518 0.715 -9.861 1.984 1.00 0.00 C ATOM 0 H ILE A 518 1.052 -12.952 1.771 1.00 0.00 H new ATOM 0 HA ILE A 518 -0.360 -12.023 4.033 1.00 0.00 H new ATOM 0 HB ILE A 518 -1.463 -12.459 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 518 0.620 -11.559 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 518 -0.628 -10.364 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 518 -2.556 -10.178 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 518 -2.980 -11.396 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 518 -1.755 -10.157 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 518 1.388 -9.320 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 518 0.029 -9.158 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 518 1.297 -10.372 2.751 1.00 0.00 H new ATOM 1286 N ASP A 519 -2.535 -13.483 4.243 1.00 0.00 N ATOM 1287 CA ASP A 519 -3.475 -14.445 4.851 1.00 0.00 C ATOM 1288 C ASP A 519 -4.543 -15.109 3.951 1.00 0.00 C ATOM 1289 O ASP A 519 -5.497 -15.693 4.469 1.00 0.00 O ATOM 1290 CB ASP A 519 -4.107 -13.781 6.088 1.00 0.00 C ATOM 1291 CG ASP A 519 -3.062 -13.519 7.177 1.00 0.00 C ATOM 1292 OD1 ASP A 519 -2.390 -12.464 7.112 1.00 0.00 O ATOM 1293 OD2 ASP A 519 -2.908 -14.359 8.095 1.00 0.00 O ATOM 0 H ASP A 519 -2.759 -12.521 4.499 1.00 0.00 H new ATOM 0 HA ASP A 519 -2.861 -15.310 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 519 -4.576 -12.841 5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 519 -4.895 -14.422 6.484 1.00 0.00 H new ATOM 1298 N ARG A 520 -4.417 -15.049 2.616 1.00 0.00 N ATOM 1299 CA ARG A 520 -5.316 -15.582 1.570 1.00 0.00 C ATOM 1300 C ARG A 520 -6.680 -14.889 1.496 1.00 0.00 C ATOM 1301 O ARG A 520 -7.195 -14.683 0.400 1.00 0.00 O ATOM 1302 CB ARG A 520 -5.429 -17.114 1.655 1.00 0.00 C ATOM 1303 CG ARG A 520 -4.495 -17.854 0.684 1.00 0.00 C ATOM 1304 CD ARG A 520 -3.001 -17.595 0.914 1.00 0.00 C ATOM 1305 NE ARG A 520 -2.529 -18.095 2.220 1.00 0.00 N ATOM 1306 CZ ARG A 520 -1.270 -18.112 2.618 1.00 0.00 C ATOM 1307 NH1 ARG A 520 -0.320 -17.649 1.865 1.00 0.00 N ATOM 1308 NH2 ARG A 520 -0.938 -18.611 3.775 1.00 0.00 N ATOM 0 H ARG A 520 -3.610 -14.584 2.199 1.00 0.00 H new ATOM 0 HA ARG A 520 -4.842 -15.339 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 520 -5.205 -17.431 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 520 -6.459 -17.406 1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 520 -4.682 -18.925 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 520 -4.748 -17.563 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 520 -2.428 -18.071 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 520 -2.808 -16.524 0.849 1.00 0.00 H new ATOM 0 HE ARG A 520 -3.231 -18.456 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 520 -0.539 -17.263 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 520 0.646 -17.671 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 520 -1.655 -18.997 4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 520 0.039 -18.616 4.067 1.00 0.00 H new ATOM 1322 N SER A 521 -7.201 -14.412 2.620 1.00 0.00 N ATOM 1323 CA SER A 521 -8.410 -13.587 2.716 1.00 0.00 C ATOM 1324 C SER A 521 -8.211 -12.107 2.345 1.00 0.00 C ATOM 1325 O SER A 521 -9.172 -11.334 2.371 1.00 0.00 O ATOM 1326 CB SER A 521 -8.999 -13.683 4.132 1.00 0.00 C ATOM 1327 OG SER A 521 -9.299 -15.033 4.455 1.00 0.00 O ATOM 0 H SER A 521 -6.779 -14.594 3.530 1.00 0.00 H new ATOM 0 HA SER A 521 -9.098 -13.993 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 521 -8.291 -13.279 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 521 -9.903 -13.077 4.198 1.00 0.00 H new ATOM 0 HG SER A 521 -9.672 -15.078 5.360 1.00 0.00 H new ATOM 1333 N ALA A 522 -6.987 -11.676 2.003 1.00 0.00 N ATOM 1334 CA ALA A 522 -6.724 -10.284 1.599 1.00 0.00 C ATOM 1335 C ALA A 522 -6.975 -10.085 0.104 1.00 0.00 C ATOM 1336 O ALA A 522 -7.425 -9.034 -0.343 1.00 0.00 O ATOM 1337 CB ALA A 522 -5.272 -9.950 1.901 1.00 0.00 C ATOM 0 H ALA A 522 -6.160 -12.273 1.998 1.00 0.00 H new ATOM 0 HA ALA A 522 -7.397 -9.630 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 522 -5.066 -8.921 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 522 -5.087 -10.065 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 522 -4.620 -10.624 1.345 1.00 0.00 H new ATOM 1343 N TYR A 523 -6.654 -11.116 -0.657 1.00 0.00 N ATOM 1344 CA TYR A 523 -6.764 -11.223 -2.096 1.00 0.00 C ATOM 1345 C TYR A 523 -8.217 -11.095 -2.612 1.00 0.00 C ATOM 1346 O TYR A 523 -9.177 -11.326 -1.835 1.00 0.00 O ATOM 1347 CB TYR A 523 -6.161 -12.596 -2.402 1.00 0.00 C ATOM 1348 CG TYR A 523 -4.660 -12.758 -2.209 1.00 0.00 C ATOM 1349 CD1 TYR A 523 -3.765 -12.503 -3.268 1.00 0.00 C ATOM 1350 CD2 TYR A 523 -4.168 -13.271 -0.994 1.00 0.00 C ATOM 1351 CE1 TYR A 523 -2.396 -12.813 -3.125 1.00 0.00 C ATOM 1352 CE2 TYR A 523 -2.813 -13.620 -0.859 1.00 0.00 C ATOM 1353 CZ TYR A 523 -1.923 -13.401 -1.930 1.00 0.00 C ATOM 1354 OH TYR A 523 -0.626 -13.786 -1.817 1.00 0.00 O ATOM 1355 OXT TYR A 523 -8.389 -10.762 -3.806 1.00 0.00 O ATOM 0 H TYR A 523 -6.278 -11.971 -0.246 1.00 0.00 H new ATOM 0 HA TYR A 523 -6.248 -10.408 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 523 -6.663 -13.332 -1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 523 -6.397 -12.845 -3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 523 -4.127 -12.070 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 523 -4.838 -13.398 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 523 -1.708 -12.601 -3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 523 -2.455 -14.055 0.063 1.00 0.00 H new ATOM 0 HH TYR A 523 -0.583 -14.673 -1.403 1.00 0.00 H new TER 1365 TYR A 523