USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 637 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 547 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 574 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 604 HIS : no HD1:sc= 0.265 K(o=0.27,f=-0.98) USER MOD Set 2.1: A 581 MET CE :methyl -146:sc= -5.04! (180deg=-4.77!) USER MOD Set 2.2: A 595 HIS : no HD1:sc= -0.516 K(o=-5.6,f=-4.8) USER MOD Set 3.1: A 548 SER OG : rot 180:sc= 0.307 USER MOD Set 3.2: A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 558 CYS SG : rot 6:sc= 0.0971 USER MOD Single : A 559 SER OG : rot 180:sc= 0 USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 CYS SG : rot -45:sc= -0.442 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 567 THR OG1 : rot -84:sc= 1.09 USER MOD Single : A 568 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.034) USER MOD Single : A 571 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 575 GLN : amide:sc= -0.0024 X(o=-0.0024,f=-0.026) USER MOD Single : A 578 HIS : no HD1:sc= -0.715 K(o=-0.71,f=-1.4) USER MOD Single : A 579 TYR OH : rot -178:sc= -4.01! USER MOD Single : A 580 SER OG : rot -78:sc= 1.22 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= -0.0209 (180deg=-0.0209) USER MOD Single : A 592 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.9!) USER MOD Single : A 599 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.025) USER MOD Single : A 608 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.4) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc=-0.00413 USER MOD Single : A 614 SER OG : rot 180:sc= 0 USER MOD Single : A 615 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 619 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 622 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 541 16.389 23.901 2.045 1.00 0.00 N ATOM 2 CA GLY A 541 17.099 22.635 2.377 1.00 0.00 C ATOM 3 C GLY A 541 16.150 21.533 2.805 1.00 0.00 C ATOM 4 O GLY A 541 15.566 21.593 3.886 1.00 0.00 O ATOM 0 HA2 GLY A 541 17.668 22.303 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 541 17.816 22.823 3.176 1.00 0.00 H new ATOM 9 N SER A 542 15.997 20.523 1.953 1.00 0.00 N ATOM 10 CA SER A 542 15.112 19.403 2.249 1.00 0.00 C ATOM 11 C SER A 542 15.914 18.137 2.533 1.00 0.00 C ATOM 12 O SER A 542 16.884 17.836 1.839 1.00 0.00 O ATOM 13 CB SER A 542 14.154 19.161 1.081 1.00 0.00 C ATOM 14 OG SER A 542 13.604 20.380 0.611 1.00 0.00 O ATOM 0 H SER A 542 16.474 20.458 1.054 1.00 0.00 H new ATOM 0 HA SER A 542 14.534 19.654 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 542 14.683 18.661 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 542 13.352 18.494 1.397 1.00 0.00 H new ATOM 0 HG SER A 542 12.997 20.198 -0.136 1.00 0.00 H new ATOM 20 N TYR A 543 15.502 17.399 3.559 1.00 0.00 N ATOM 21 CA TYR A 543 16.182 16.165 3.936 1.00 0.00 C ATOM 22 C TYR A 543 15.223 14.978 3.891 1.00 0.00 C ATOM 23 O TYR A 543 14.017 15.136 4.087 1.00 0.00 O ATOM 24 CB TYR A 543 16.781 16.296 5.337 1.00 0.00 C ATOM 25 CG TYR A 543 17.998 17.192 5.396 1.00 0.00 C ATOM 26 CD1 TYR A 543 17.924 18.523 5.005 1.00 0.00 C ATOM 27 CD2 TYR A 543 19.220 16.707 5.844 1.00 0.00 C ATOM 28 CE1 TYR A 543 19.033 19.345 5.058 1.00 0.00 C ATOM 29 CE2 TYR A 543 20.335 17.523 5.901 1.00 0.00 C ATOM 30 CZ TYR A 543 20.235 18.841 5.506 1.00 0.00 C ATOM 31 OH TYR A 543 21.342 19.655 5.561 1.00 0.00 O ATOM 0 H TYR A 543 14.700 17.634 4.144 1.00 0.00 H new ATOM 0 HA TYR A 543 16.984 15.989 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 543 16.020 16.686 6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 543 17.052 15.305 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 543 16.984 18.922 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 543 19.301 15.675 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 543 18.958 20.377 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 543 21.278 17.131 6.252 1.00 0.00 H new ATOM 0 HH TYR A 543 22.107 19.145 5.900 1.00 0.00 H new ATOM 41 N PRO A 544 15.748 13.767 3.635 1.00 0.00 N ATOM 42 CA PRO A 544 14.931 12.551 3.569 1.00 0.00 C ATOM 43 C PRO A 544 14.367 12.164 4.931 1.00 0.00 C ATOM 44 O PRO A 544 15.020 12.344 5.958 1.00 0.00 O ATOM 45 CB PRO A 544 15.913 11.486 3.073 1.00 0.00 C ATOM 46 CG PRO A 544 17.256 11.990 3.474 1.00 0.00 C ATOM 47 CD PRO A 544 17.176 13.489 3.392 1.00 0.00 C ATOM 0 HA PRO A 544 14.062 12.677 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 544 15.704 10.515 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 544 15.845 11.358 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 544 17.509 11.667 4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 544 18.031 11.604 2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 544 17.811 13.967 4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 544 17.497 13.856 2.417 1.00 0.00 H new ATOM 55 N THR A 545 13.149 11.631 4.932 1.00 0.00 N ATOM 56 CA THR A 545 12.497 11.219 6.170 1.00 0.00 C ATOM 57 C THR A 545 11.982 9.784 6.064 1.00 0.00 C ATOM 58 O THR A 545 12.654 8.843 6.482 1.00 0.00 O ATOM 59 CB THR A 545 11.350 12.180 6.521 1.00 0.00 C ATOM 60 OG1 THR A 545 10.333 11.512 7.248 1.00 0.00 O ATOM 61 CG2 THR A 545 10.700 12.820 5.311 1.00 0.00 C ATOM 0 H THR A 545 12.594 11.474 4.090 1.00 0.00 H new ATOM 0 HA THR A 545 13.236 11.255 6.971 1.00 0.00 H new ATOM 0 HB THR A 545 11.815 12.964 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 545 9.615 12.144 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 545 9.900 13.485 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 545 11.445 13.392 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 545 10.287 12.044 4.667 1.00 0.00 H new ATOM 69 N ASP A 546 10.788 9.627 5.505 1.00 0.00 N ATOM 70 CA ASP A 546 10.186 8.308 5.346 1.00 0.00 C ATOM 71 C ASP A 546 9.353 8.240 4.069 1.00 0.00 C ATOM 72 O ASP A 546 9.025 9.267 3.475 1.00 0.00 O ATOM 73 CB ASP A 546 9.314 7.975 6.557 1.00 0.00 C ATOM 74 CG ASP A 546 10.134 7.572 7.767 1.00 0.00 C ATOM 75 OD1 ASP A 546 10.197 6.362 8.067 1.00 0.00 O ATOM 76 OD2 ASP A 546 10.714 8.469 8.415 1.00 0.00 O ATOM 0 H ASP A 546 10.217 10.396 5.154 1.00 0.00 H new ATOM 0 HA ASP A 546 10.989 7.575 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 546 8.701 8.840 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 546 8.631 7.166 6.298 1.00 0.00 H new ATOM 81 N CYS A 547 9.017 7.023 3.653 1.00 0.00 N ATOM 82 CA CYS A 547 8.223 6.822 2.446 1.00 0.00 C ATOM 83 C CYS A 547 6.730 6.915 2.752 1.00 0.00 C ATOM 84 O CYS A 547 6.245 6.337 3.726 1.00 0.00 O ATOM 85 CB CYS A 547 8.551 5.469 1.814 1.00 0.00 C ATOM 86 SG CYS A 547 9.954 5.509 0.674 1.00 0.00 S ATOM 0 H CYS A 547 9.282 6.163 4.133 1.00 0.00 H new ATOM 0 HA CYS A 547 8.475 7.612 1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 547 8.761 4.751 2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 547 7.673 5.107 1.280 1.00 0.00 H new ATOM 0 HG CYS A 547 10.156 4.319 0.192 1.00 0.00 H new ATOM 92 N SER A 548 6.013 7.654 1.914 1.00 0.00 N ATOM 93 CA SER A 548 4.576 7.843 2.081 1.00 0.00 C ATOM 94 C SER A 548 3.788 7.026 1.066 1.00 0.00 C ATOM 95 O SER A 548 4.274 6.744 -0.029 1.00 0.00 O ATOM 96 CB SER A 548 4.218 9.323 1.914 1.00 0.00 C ATOM 97 OG SER A 548 4.295 9.711 0.552 1.00 0.00 O ATOM 0 H SER A 548 6.407 8.136 1.106 1.00 0.00 H new ATOM 0 HA SER A 548 4.313 7.505 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 548 3.211 9.503 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.896 9.935 2.510 1.00 0.00 H new ATOM 0 HG SER A 548 4.061 10.659 0.468 1.00 0.00 H new ATOM 103 N ILE A 549 2.557 6.675 1.423 1.00 0.00 N ATOM 104 CA ILE A 549 1.692 5.922 0.527 1.00 0.00 C ATOM 105 C ILE A 549 1.378 6.760 -0.708 1.00 0.00 C ATOM 106 O ILE A 549 1.143 6.230 -1.793 1.00 0.00 O ATOM 107 CB ILE A 549 0.367 5.530 1.213 1.00 0.00 C ATOM 108 CG1 ILE A 549 0.641 4.802 2.532 1.00 0.00 C ATOM 109 CG2 ILE A 549 -0.485 4.670 0.286 1.00 0.00 C ATOM 110 CD1 ILE A 549 1.220 3.416 2.355 1.00 0.00 C ATOM 0 H ILE A 549 2.138 6.900 2.325 1.00 0.00 H new ATOM 0 HA ILE A 549 2.220 5.011 0.246 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.189 6.441 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 549 1.329 5.400 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.289 4.728 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.415 4.404 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.710 5.228 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.060 3.762 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 549 1.387 2.964 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.524 2.801 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 549 2.167 3.483 1.820 1.00 0.00 H new ATOM 122 N VAL A 550 1.379 8.079 -0.525 1.00 0.00 N ATOM 123 CA VAL A 550 1.098 9.011 -1.609 1.00 0.00 C ATOM 124 C VAL A 550 2.153 8.905 -2.706 1.00 0.00 C ATOM 125 O VAL A 550 1.824 8.772 -3.885 1.00 0.00 O ATOM 126 CB VAL A 550 1.045 10.461 -1.081 1.00 0.00 C ATOM 127 CG1 VAL A 550 0.975 11.462 -2.224 1.00 0.00 C ATOM 128 CG2 VAL A 550 -0.135 10.636 -0.136 1.00 0.00 C ATOM 0 H VAL A 550 1.573 8.526 0.371 1.00 0.00 H new ATOM 0 HA VAL A 550 0.127 8.748 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 550 1.965 10.655 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 550 0.939 12.474 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 550 1.857 11.355 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 550 0.079 11.276 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 550 -0.160 11.663 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 550 -1.062 10.417 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 550 -0.030 9.954 0.708 1.00 0.00 H new ATOM 138 N SER A 551 3.422 8.953 -2.312 1.00 0.00 N ATOM 139 CA SER A 551 4.517 8.848 -3.268 1.00 0.00 C ATOM 140 C SER A 551 4.723 7.395 -3.673 1.00 0.00 C ATOM 141 O SER A 551 5.052 7.092 -4.821 1.00 0.00 O ATOM 142 CB SER A 551 5.807 9.414 -2.669 1.00 0.00 C ATOM 143 OG SER A 551 6.377 8.510 -1.739 1.00 0.00 O ATOM 0 H SER A 551 3.716 9.063 -1.341 1.00 0.00 H new ATOM 0 HA SER A 551 4.260 9.429 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 551 6.522 9.620 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.597 10.363 -2.176 1.00 0.00 H new ATOM 0 HG SER A 551 7.200 8.894 -1.372 1.00 0.00 H new ATOM 149 N PHE A 552 4.517 6.500 -2.714 1.00 0.00 N ATOM 150 CA PHE A 552 4.667 5.070 -2.944 1.00 0.00 C ATOM 151 C PHE A 552 3.679 4.590 -4.006 1.00 0.00 C ATOM 152 O PHE A 552 4.058 3.908 -4.959 1.00 0.00 O ATOM 153 CB PHE A 552 4.456 4.319 -1.623 1.00 0.00 C ATOM 154 CG PHE A 552 3.969 2.906 -1.777 1.00 0.00 C ATOM 155 CD1 PHE A 552 2.885 2.459 -1.043 1.00 0.00 C ATOM 156 CD2 PHE A 552 4.591 2.031 -2.651 1.00 0.00 C ATOM 157 CE1 PHE A 552 2.427 1.165 -1.176 1.00 0.00 C ATOM 158 CE2 PHE A 552 4.139 0.732 -2.789 1.00 0.00 C ATOM 159 CZ PHE A 552 3.055 0.299 -2.050 1.00 0.00 C ATOM 0 H PHE A 552 4.243 6.744 -1.762 1.00 0.00 H new ATOM 0 HA PHE A 552 5.673 4.868 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 552 5.397 4.307 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 552 3.739 4.872 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 552 2.391 3.132 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 552 5.438 2.367 -3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 552 1.579 0.829 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 552 4.632 0.057 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 552 2.699 -0.715 -2.155 1.00 0.00 H new ATOM 169 N LEU A 553 2.412 4.955 -3.838 1.00 0.00 N ATOM 170 CA LEU A 553 1.372 4.566 -4.784 1.00 0.00 C ATOM 171 C LEU A 553 1.502 5.357 -6.080 1.00 0.00 C ATOM 172 O LEU A 553 1.345 4.808 -7.171 1.00 0.00 O ATOM 173 CB LEU A 553 -0.014 4.786 -4.176 1.00 0.00 C ATOM 174 CG LEU A 553 -0.491 3.680 -3.232 1.00 0.00 C ATOM 175 CD1 LEU A 553 -1.910 3.959 -2.756 1.00 0.00 C ATOM 176 CD2 LEU A 553 -0.413 2.325 -3.920 1.00 0.00 C ATOM 0 H LEU A 553 2.081 5.520 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 553 1.495 3.506 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 553 -0.009 5.730 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 553 -0.737 4.888 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 553 0.164 3.662 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 553 -2.232 3.162 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 553 -1.935 4.911 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 553 -2.580 4.004 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 553 -0.756 1.549 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 553 -1.045 2.331 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 553 0.618 2.123 -4.210 1.00 0.00 H new ATOM 188 N ALA A 554 1.795 6.648 -5.954 1.00 0.00 N ATOM 189 CA ALA A 554 1.951 7.513 -7.117 1.00 0.00 C ATOM 190 C ALA A 554 3.006 6.960 -8.068 1.00 0.00 C ATOM 191 O ALA A 554 2.879 7.071 -9.287 1.00 0.00 O ATOM 192 CB ALA A 554 2.319 8.923 -6.680 1.00 0.00 C ATOM 0 H ALA A 554 1.929 7.117 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 554 0.999 7.547 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 554 2.432 9.558 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 554 1.531 9.323 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.257 8.899 -6.126 1.00 0.00 H new ATOM 198 N ARG A 555 4.044 6.359 -7.498 1.00 0.00 N ATOM 199 CA ARG A 555 5.122 5.779 -8.290 1.00 0.00 C ATOM 200 C ARG A 555 4.650 4.518 -9.007 1.00 0.00 C ATOM 201 O ARG A 555 5.160 4.171 -10.072 1.00 0.00 O ATOM 202 CB ARG A 555 6.321 5.458 -7.394 1.00 0.00 C ATOM 203 CG ARG A 555 7.638 6.007 -7.920 1.00 0.00 C ATOM 204 CD ARG A 555 8.356 6.838 -6.869 1.00 0.00 C ATOM 205 NE ARG A 555 9.152 6.012 -5.966 1.00 0.00 N ATOM 206 CZ ARG A 555 10.243 5.346 -6.337 1.00 0.00 C ATOM 207 NH1 ARG A 555 10.670 5.405 -7.592 1.00 0.00 N ATOM 208 NH2 ARG A 555 10.909 4.619 -5.451 1.00 0.00 N ATOM 0 H ARG A 555 4.162 6.261 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 555 5.425 6.508 -9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 555 6.139 5.864 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 555 6.405 4.377 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 555 8.278 5.182 -8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 555 7.452 6.618 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 555 9.003 7.564 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 555 7.624 7.403 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 555 8.854 5.941 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 555 10.161 5.963 -8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 555 11.507 4.893 -7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 555 10.585 4.570 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 555 11.745 4.109 -5.735 1.00 0.00 H new ATOM 222 N LEU A 556 3.674 3.835 -8.415 1.00 0.00 N ATOM 223 CA LEU A 556 3.134 2.612 -8.997 1.00 0.00 C ATOM 224 C LEU A 556 1.922 2.907 -9.878 1.00 0.00 C ATOM 225 O LEU A 556 1.533 2.085 -10.707 1.00 0.00 O ATOM 226 CB LEU A 556 2.750 1.624 -7.893 1.00 0.00 C ATOM 227 CG LEU A 556 3.876 1.274 -6.920 1.00 0.00 C ATOM 228 CD1 LEU A 556 3.393 0.278 -5.877 1.00 0.00 C ATOM 229 CD2 LEU A 556 5.077 0.721 -7.673 1.00 0.00 C ATOM 0 H LEU A 556 3.242 4.109 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 556 3.909 2.168 -9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 556 1.917 2.041 -7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 556 2.392 0.705 -8.357 1.00 0.00 H new ATOM 0 HG LEU A 556 4.182 2.185 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 556 4.209 0.042 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.565 0.711 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 556 3.059 -0.634 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 556 5.869 0.477 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 556 4.784 -0.179 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 556 5.439 1.468 -8.380 1.00 0.00 H new ATOM 241 N GLY A 557 1.328 4.084 -9.696 1.00 0.00 N ATOM 242 CA GLY A 557 0.170 4.459 -10.486 1.00 0.00 C ATOM 243 C GLY A 557 -1.131 3.968 -9.881 1.00 0.00 C ATOM 244 O GLY A 557 -1.997 3.454 -10.589 1.00 0.00 O ATOM 0 H GLY A 557 1.628 4.783 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 557 0.136 5.544 -10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 557 0.274 4.054 -11.492 1.00 0.00 H new ATOM 248 N CYS A 558 -1.269 4.127 -8.568 1.00 0.00 N ATOM 249 CA CYS A 558 -2.475 3.697 -7.870 1.00 0.00 C ATOM 250 C CYS A 558 -2.780 4.619 -6.693 1.00 0.00 C ATOM 251 O CYS A 558 -3.119 4.160 -5.602 1.00 0.00 O ATOM 252 CB CYS A 558 -2.317 2.255 -7.381 1.00 0.00 C ATOM 253 SG CYS A 558 -2.185 1.036 -8.709 1.00 0.00 S ATOM 0 H CYS A 558 -0.561 4.550 -7.967 1.00 0.00 H new ATOM 0 HA CYS A 558 -3.310 3.746 -8.569 1.00 0.00 H new ATOM 0 HB2 CYS A 558 -1.428 2.191 -6.754 1.00 0.00 H new ATOM 0 HB3 CYS A 558 -3.170 2.000 -6.752 1.00 0.00 H new ATOM 0 HG CYS A 558 -2.116 1.648 -9.854 1.00 0.00 H new ATOM 259 N SER A 559 -2.659 5.922 -6.923 1.00 0.00 N ATOM 260 CA SER A 559 -2.922 6.910 -5.884 1.00 0.00 C ATOM 261 C SER A 559 -4.369 6.827 -5.404 1.00 0.00 C ATOM 262 O SER A 559 -4.673 7.155 -4.258 1.00 0.00 O ATOM 263 CB SER A 559 -2.626 8.317 -6.403 1.00 0.00 C ATOM 264 OG SER A 559 -3.624 8.746 -7.315 1.00 0.00 O ATOM 0 H SER A 559 -2.380 6.318 -7.821 1.00 0.00 H new ATOM 0 HA SER A 559 -2.266 6.695 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 559 -2.571 9.013 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 559 -1.652 8.330 -6.892 1.00 0.00 H new ATOM 0 HG SER A 559 -3.412 9.649 -7.631 1.00 0.00 H new ATOM 270 N SER A 560 -5.258 6.390 -6.290 1.00 0.00 N ATOM 271 CA SER A 560 -6.672 6.265 -5.956 1.00 0.00 C ATOM 272 C SER A 560 -6.884 5.259 -4.827 1.00 0.00 C ATOM 273 O SER A 560 -7.867 5.336 -4.091 1.00 0.00 O ATOM 274 CB SER A 560 -7.472 5.841 -7.189 1.00 0.00 C ATOM 275 OG SER A 560 -7.141 4.520 -7.582 1.00 0.00 O ATOM 0 H SER A 560 -5.024 6.117 -7.244 1.00 0.00 H new ATOM 0 HA SER A 560 -7.025 7.239 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 560 -8.539 5.903 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 560 -7.272 6.529 -8.010 1.00 0.00 H new ATOM 0 HG SER A 560 -7.667 4.272 -8.371 1.00 0.00 H new ATOM 281 N CYS A 561 -5.956 4.315 -4.698 1.00 0.00 N ATOM 282 CA CYS A 561 -6.044 3.293 -3.662 1.00 0.00 C ATOM 283 C CYS A 561 -5.783 3.883 -2.277 1.00 0.00 C ATOM 284 O CYS A 561 -6.151 3.290 -1.263 1.00 0.00 O ATOM 285 CB CYS A 561 -5.050 2.164 -3.942 1.00 0.00 C ATOM 286 SG CYS A 561 -5.773 0.736 -4.783 1.00 0.00 S ATOM 0 H CYS A 561 -5.135 4.237 -5.298 1.00 0.00 H new ATOM 0 HA CYS A 561 -7.057 2.891 -3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -4.234 2.555 -4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.615 1.835 -2.998 1.00 0.00 H new ATOM 0 HG CYS A 561 -6.909 0.434 -4.227 1.00 0.00 H new ATOM 292 N LEU A 562 -5.137 5.046 -2.237 1.00 0.00 N ATOM 293 CA LEU A 562 -4.824 5.700 -0.970 1.00 0.00 C ATOM 294 C LEU A 562 -6.068 5.861 -0.102 1.00 0.00 C ATOM 295 O LEU A 562 -5.998 5.739 1.120 1.00 0.00 O ATOM 296 CB LEU A 562 -4.180 7.065 -1.212 1.00 0.00 C ATOM 297 CG LEU A 562 -3.047 7.414 -0.242 1.00 0.00 C ATOM 298 CD1 LEU A 562 -1.698 7.275 -0.926 1.00 0.00 C ATOM 299 CD2 LEU A 562 -3.225 8.820 0.311 1.00 0.00 C ATOM 0 H LEU A 562 -4.821 5.553 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 562 -4.118 5.061 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -3.791 7.094 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -4.950 7.833 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.083 6.713 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -0.905 7.527 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.567 6.248 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -1.652 7.950 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.409 9.047 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -3.219 9.537 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.175 8.885 0.842 1.00 0.00 H new ATOM 311 N ASP A 563 -7.203 6.130 -0.737 1.00 0.00 N ATOM 312 CA ASP A 563 -8.456 6.307 -0.009 1.00 0.00 C ATOM 313 C ASP A 563 -8.715 5.121 0.915 1.00 0.00 C ATOM 314 O ASP A 563 -9.242 5.282 2.016 1.00 0.00 O ATOM 315 CB ASP A 563 -9.620 6.471 -0.991 1.00 0.00 C ATOM 316 CG ASP A 563 -10.054 7.916 -1.136 1.00 0.00 C ATOM 317 OD1 ASP A 563 -9.585 8.585 -2.081 1.00 0.00 O ATOM 318 OD2 ASP A 563 -10.863 8.380 -0.305 1.00 0.00 O ATOM 0 H ASP A 563 -7.283 6.230 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 563 -8.375 7.208 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 563 -9.326 6.083 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 563 -10.465 5.873 -0.651 1.00 0.00 H new ATOM 323 N TYR A 564 -8.330 3.933 0.462 1.00 0.00 N ATOM 324 CA TYR A 564 -8.509 2.723 1.244 1.00 0.00 C ATOM 325 C TYR A 564 -7.565 2.704 2.443 1.00 0.00 C ATOM 326 O TYR A 564 -7.915 2.206 3.512 1.00 0.00 O ATOM 327 CB TYR A 564 -8.260 1.499 0.366 1.00 0.00 C ATOM 328 CG TYR A 564 -9.037 1.516 -0.932 1.00 0.00 C ATOM 329 CD1 TYR A 564 -10.423 1.594 -0.933 1.00 0.00 C ATOM 330 CD2 TYR A 564 -8.382 1.451 -2.155 1.00 0.00 C ATOM 331 CE1 TYR A 564 -11.136 1.608 -2.116 1.00 0.00 C ATOM 332 CE2 TYR A 564 -9.088 1.465 -3.343 1.00 0.00 C ATOM 333 CZ TYR A 564 -10.464 1.543 -3.318 1.00 0.00 C ATOM 334 OH TYR A 564 -11.171 1.557 -4.499 1.00 0.00 O ATOM 0 H TYR A 564 -7.891 3.786 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 564 -9.534 2.701 1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -7.195 1.434 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -8.523 0.601 0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -10.953 1.645 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -7.304 1.389 -2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.214 1.670 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -8.564 1.415 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.548 1.506 -5.254 1.00 0.00 H new ATOM 344 N PHE A 565 -6.365 3.249 2.256 1.00 0.00 N ATOM 345 CA PHE A 565 -5.374 3.290 3.325 1.00 0.00 C ATOM 346 C PHE A 565 -5.726 4.360 4.355 1.00 0.00 C ATOM 347 O PHE A 565 -5.726 4.103 5.559 1.00 0.00 O ATOM 348 CB PHE A 565 -3.983 3.561 2.744 1.00 0.00 C ATOM 349 CG PHE A 565 -3.425 2.410 1.955 1.00 0.00 C ATOM 350 CD1 PHE A 565 -3.165 1.195 2.566 1.00 0.00 C ATOM 351 CD2 PHE A 565 -3.163 2.545 0.601 1.00 0.00 C ATOM 352 CE1 PHE A 565 -2.652 0.136 1.842 1.00 0.00 C ATOM 353 CE2 PHE A 565 -2.650 1.489 -0.128 1.00 0.00 C ATOM 354 CZ PHE A 565 -2.394 0.283 0.493 1.00 0.00 C ATOM 0 H PHE A 565 -6.058 3.666 1.378 1.00 0.00 H new ATOM 0 HA PHE A 565 -5.372 2.321 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 565 -4.032 4.441 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -3.298 3.798 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 565 -3.365 1.074 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -3.362 3.486 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -2.453 -0.806 2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -2.450 1.607 -1.183 1.00 0.00 H new ATOM 0 HZ PHE A 565 -1.993 -0.544 -0.075 1.00 0.00 H new ATOM 364 N THR A 566 -6.030 5.560 3.871 1.00 0.00 N ATOM 365 CA THR A 566 -6.386 6.671 4.745 1.00 0.00 C ATOM 366 C THR A 566 -7.612 6.334 5.586 1.00 0.00 C ATOM 367 O THR A 566 -7.645 6.600 6.787 1.00 0.00 O ATOM 368 CB THR A 566 -6.652 7.932 3.921 1.00 0.00 C ATOM 369 OG1 THR A 566 -7.599 7.673 2.898 1.00 0.00 O ATOM 370 CG2 THR A 566 -5.408 8.493 3.265 1.00 0.00 C ATOM 0 H THR A 566 -6.037 5.788 2.877 1.00 0.00 H new ATOM 0 HA THR A 566 -5.546 6.853 5.416 1.00 0.00 H new ATOM 0 HB THR A 566 -7.030 8.667 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 566 -7.757 8.492 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 566 -5.668 9.386 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 566 -4.677 8.751 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 566 -4.982 7.747 2.594 1.00 0.00 H new ATOM 378 N THR A 567 -8.618 5.750 4.945 1.00 0.00 N ATOM 379 CA THR A 567 -9.849 5.378 5.633 1.00 0.00 C ATOM 380 C THR A 567 -9.574 4.430 6.798 1.00 0.00 C ATOM 381 O THR A 567 -10.401 4.289 7.700 1.00 0.00 O ATOM 382 CB THR A 567 -10.829 4.727 4.654 1.00 0.00 C ATOM 383 OG1 THR A 567 -10.200 3.679 3.937 1.00 0.00 O ATOM 384 CG2 THR A 567 -11.401 5.699 3.645 1.00 0.00 C ATOM 0 H THR A 567 -8.606 5.524 3.950 1.00 0.00 H new ATOM 0 HA THR A 567 -10.291 6.290 6.035 1.00 0.00 H new ATOM 0 HB THR A 567 -11.645 4.348 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 567 -9.717 4.051 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 567 -12.088 5.173 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 567 -11.937 6.492 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 567 -10.591 6.133 3.059 1.00 0.00 H new ATOM 392 N GLN A 568 -8.416 3.775 6.777 1.00 0.00 N ATOM 393 CA GLN A 568 -8.054 2.840 7.837 1.00 0.00 C ATOM 394 C GLN A 568 -7.029 3.447 8.794 1.00 0.00 C ATOM 395 O GLN A 568 -6.793 2.917 9.880 1.00 0.00 O ATOM 396 CB GLN A 568 -7.496 1.555 7.227 1.00 0.00 C ATOM 397 CG GLN A 568 -7.246 0.454 8.246 1.00 0.00 C ATOM 398 CD GLN A 568 -8.530 -0.106 8.826 1.00 0.00 C ATOM 399 OE1 GLN A 568 -8.848 0.119 9.993 1.00 0.00 O ATOM 400 NE2 GLN A 568 -9.277 -0.841 8.010 1.00 0.00 N ATOM 0 H GLN A 568 -7.716 3.874 6.042 1.00 0.00 H new ATOM 0 HA GLN A 568 -8.955 2.615 8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 568 -8.193 1.189 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 568 -6.561 1.782 6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 568 -6.683 -0.351 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 568 -6.627 0.845 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 568 -8.975 -1.002 7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 568 -10.152 -1.244 8.344 1.00 0.00 H new ATOM 409 N GLY A 569 -6.425 4.560 8.392 1.00 0.00 N ATOM 410 CA GLY A 569 -5.439 5.215 9.234 1.00 0.00 C ATOM 411 C GLY A 569 -4.016 5.030 8.735 1.00 0.00 C ATOM 412 O GLY A 569 -3.066 5.466 9.384 1.00 0.00 O ATOM 0 H GLY A 569 -6.600 5.021 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 569 -5.664 6.280 9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 569 -5.517 4.822 10.248 1.00 0.00 H new ATOM 416 N LEU A 570 -3.866 4.384 7.582 1.00 0.00 N ATOM 417 CA LEU A 570 -2.546 4.149 7.003 1.00 0.00 C ATOM 418 C LEU A 570 -2.196 5.246 6.003 1.00 0.00 C ATOM 419 O LEU A 570 -2.862 5.403 4.981 1.00 0.00 O ATOM 420 CB LEU A 570 -2.511 2.780 6.322 1.00 0.00 C ATOM 421 CG LEU A 570 -2.916 1.604 7.216 1.00 0.00 C ATOM 422 CD1 LEU A 570 -4.227 1.004 6.742 1.00 0.00 C ATOM 423 CD2 LEU A 570 -1.826 0.544 7.237 1.00 0.00 C ATOM 0 H LEU A 570 -4.640 4.014 7.031 1.00 0.00 H new ATOM 0 HA LEU A 570 -1.806 4.166 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -3.173 2.804 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -1.503 2.602 5.948 1.00 0.00 H new ATOM 0 HG LEU A 570 -3.051 1.978 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -4.500 0.170 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -5.009 1.763 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -4.115 0.648 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -2.134 -0.282 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -1.658 0.175 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -0.904 0.978 7.623 1.00 0.00 H new ATOM 435 N THR A 571 -1.153 6.015 6.310 1.00 0.00 N ATOM 436 CA THR A 571 -0.727 7.106 5.439 1.00 0.00 C ATOM 437 C THR A 571 0.707 6.915 4.947 1.00 0.00 C ATOM 438 O THR A 571 1.087 7.453 3.907 1.00 0.00 O ATOM 439 CB THR A 571 -0.847 8.443 6.173 1.00 0.00 C ATOM 440 OG1 THR A 571 0.049 8.495 7.268 1.00 0.00 O ATOM 441 CG2 THR A 571 -2.239 8.711 6.705 1.00 0.00 C ATOM 0 H THR A 571 -0.590 5.903 7.153 1.00 0.00 H new ATOM 0 HA THR A 571 -1.383 7.104 4.568 1.00 0.00 H new ATOM 0 HB THR A 571 -0.607 9.204 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 571 -0.041 9.358 7.724 1.00 0.00 H new ATOM 0 HG21 THR A 571 -2.255 9.675 7.214 1.00 0.00 H new ATOM 0 HG22 THR A 571 -2.948 8.726 5.877 1.00 0.00 H new ATOM 0 HG23 THR A 571 -2.518 7.925 7.407 1.00 0.00 H new ATOM 449 N THR A 572 1.502 6.156 5.696 1.00 0.00 N ATOM 450 CA THR A 572 2.894 5.914 5.323 1.00 0.00 C ATOM 451 C THR A 572 3.093 4.492 4.817 1.00 0.00 C ATOM 452 O THR A 572 2.415 3.565 5.256 1.00 0.00 O ATOM 453 CB THR A 572 3.819 6.160 6.517 1.00 0.00 C ATOM 454 OG1 THR A 572 3.847 5.024 7.369 1.00 0.00 O ATOM 455 CG2 THR A 572 3.424 7.356 7.355 1.00 0.00 C ATOM 0 H THR A 572 1.209 5.700 6.560 1.00 0.00 H new ATOM 0 HA THR A 572 3.142 6.608 4.520 1.00 0.00 H new ATOM 0 HB THR A 572 4.800 6.357 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 572 4.444 5.198 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 572 4.125 7.468 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 572 3.444 8.255 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 572 2.418 7.208 7.749 1.00 0.00 H new ATOM 463 N ILE A 573 4.048 4.323 3.908 1.00 0.00 N ATOM 464 CA ILE A 573 4.354 3.008 3.364 1.00 0.00 C ATOM 465 C ILE A 573 4.885 2.104 4.470 1.00 0.00 C ATOM 466 O ILE A 573 4.564 0.918 4.533 1.00 0.00 O ATOM 467 CB ILE A 573 5.389 3.094 2.219 1.00 0.00 C ATOM 468 CG1 ILE A 573 5.329 1.841 1.344 1.00 0.00 C ATOM 469 CG2 ILE A 573 6.798 3.291 2.764 1.00 0.00 C ATOM 470 CD1 ILE A 573 6.386 1.814 0.260 1.00 0.00 C ATOM 0 H ILE A 573 4.621 5.079 3.534 1.00 0.00 H new ATOM 0 HA ILE A 573 3.434 2.591 2.955 1.00 0.00 H new ATOM 0 HB ILE A 573 5.138 3.961 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 573 5.444 0.960 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 573 4.344 1.776 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 573 7.504 3.348 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 573 6.839 4.215 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 573 7.060 2.451 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 573 6.286 0.898 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 573 6.258 2.676 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 573 7.376 1.848 0.716 1.00 0.00 H new ATOM 482 N TYR A 574 5.698 2.690 5.345 1.00 0.00 N ATOM 483 CA TYR A 574 6.280 1.958 6.463 1.00 0.00 C ATOM 484 C TYR A 574 5.190 1.331 7.324 1.00 0.00 C ATOM 485 O TYR A 574 5.354 0.228 7.846 1.00 0.00 O ATOM 486 CB TYR A 574 7.143 2.888 7.317 1.00 0.00 C ATOM 487 CG TYR A 574 8.515 3.147 6.741 1.00 0.00 C ATOM 488 CD1 TYR A 574 8.930 4.437 6.438 1.00 0.00 C ATOM 489 CD2 TYR A 574 9.399 2.101 6.502 1.00 0.00 C ATOM 490 CE1 TYR A 574 10.184 4.678 5.911 1.00 0.00 C ATOM 491 CE2 TYR A 574 10.655 2.334 5.977 1.00 0.00 C ATOM 492 CZ TYR A 574 11.043 3.624 5.684 1.00 0.00 C ATOM 493 OH TYR A 574 12.293 3.861 5.161 1.00 0.00 O ATOM 0 H TYR A 574 5.968 3.672 5.300 1.00 0.00 H new ATOM 0 HA TYR A 574 6.906 1.163 6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 574 6.625 3.839 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.253 2.455 8.311 1.00 0.00 H new ATOM 0 HD1 TYR A 574 8.261 5.266 6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.099 1.089 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 574 10.490 5.687 5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 574 11.330 1.510 5.797 1.00 0.00 H new ATOM 0 HH TYR A 574 12.773 3.012 5.063 1.00 0.00 H new ATOM 503 N GLN A 575 4.075 2.041 7.465 1.00 0.00 N ATOM 504 CA GLN A 575 2.956 1.552 8.263 1.00 0.00 C ATOM 505 C GLN A 575 2.462 0.202 7.744 1.00 0.00 C ATOM 506 O GLN A 575 1.827 -0.559 8.475 1.00 0.00 O ATOM 507 CB GLN A 575 1.810 2.568 8.249 1.00 0.00 C ATOM 508 CG GLN A 575 1.658 3.329 9.555 1.00 0.00 C ATOM 509 CD GLN A 575 1.059 2.479 10.658 1.00 0.00 C ATOM 510 OE1 GLN A 575 1.778 1.852 11.435 1.00 0.00 O ATOM 511 NE2 GLN A 575 -0.267 2.454 10.731 1.00 0.00 N ATOM 0 H GLN A 575 3.922 2.955 7.038 1.00 0.00 H new ATOM 0 HA GLN A 575 3.304 1.420 9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.976 3.280 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 575 0.877 2.048 8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 575 2.634 3.696 9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.027 4.203 9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.825 2.990 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -0.728 1.899 11.452 1.00 0.00 H new ATOM 520 N ILE A 576 2.758 -0.092 6.480 1.00 0.00 N ATOM 521 CA ILE A 576 2.344 -1.351 5.871 1.00 0.00 C ATOM 522 C ILE A 576 3.543 -2.148 5.359 1.00 0.00 C ATOM 523 O ILE A 576 3.387 -3.084 4.575 1.00 0.00 O ATOM 524 CB ILE A 576 1.356 -1.120 4.710 1.00 0.00 C ATOM 525 CG1 ILE A 576 1.984 -0.237 3.632 1.00 0.00 C ATOM 526 CG2 ILE A 576 0.073 -0.497 5.228 1.00 0.00 C ATOM 527 CD1 ILE A 576 1.058 0.032 2.465 1.00 0.00 C ATOM 0 H ILE A 576 3.282 0.525 5.859 1.00 0.00 H new ATOM 0 HA ILE A 576 1.845 -1.924 6.653 1.00 0.00 H new ATOM 0 HB ILE A 576 1.119 -2.085 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 576 2.281 0.712 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 576 2.892 -0.715 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -0.616 -0.339 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -0.386 -1.163 5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 576 0.298 0.460 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 576 1.565 0.664 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 576 0.780 -0.912 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 576 0.161 0.538 2.822 1.00 0.00 H new ATOM 539 N GLU A 577 4.740 -1.776 5.805 1.00 0.00 N ATOM 540 CA GLU A 577 5.958 -2.464 5.388 1.00 0.00 C ATOM 541 C GLU A 577 5.851 -3.969 5.625 1.00 0.00 C ATOM 542 O GLU A 577 6.506 -4.762 4.948 1.00 0.00 O ATOM 543 CB GLU A 577 7.166 -1.903 6.143 1.00 0.00 C ATOM 544 CG GLU A 577 8.493 -2.491 5.692 1.00 0.00 C ATOM 545 CD GLU A 577 9.445 -2.733 6.848 1.00 0.00 C ATOM 546 OE1 GLU A 577 9.904 -1.743 7.456 1.00 0.00 O ATOM 547 OE2 GLU A 577 9.732 -3.912 7.144 1.00 0.00 O ATOM 0 H GLU A 577 4.892 -1.004 6.454 1.00 0.00 H new ATOM 0 HA GLU A 577 6.090 -2.295 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 577 7.195 -0.821 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 577 7.038 -2.093 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 577 8.312 -3.432 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 577 8.961 -1.816 4.976 1.00 0.00 H new ATOM 554 N HIS A 578 5.020 -4.358 6.590 1.00 0.00 N ATOM 555 CA HIS A 578 4.827 -5.768 6.915 1.00 0.00 C ATOM 556 C HIS A 578 3.379 -6.192 6.675 1.00 0.00 C ATOM 557 O HIS A 578 2.892 -7.141 7.289 1.00 0.00 O ATOM 558 CB HIS A 578 5.209 -6.030 8.373 1.00 0.00 C ATOM 559 CG HIS A 578 6.610 -6.526 8.548 1.00 0.00 C ATOM 560 ND1 HIS A 578 7.039 -7.752 8.083 1.00 0.00 N ATOM 561 CD2 HIS A 578 7.684 -5.956 9.146 1.00 0.00 C ATOM 562 CE1 HIS A 578 8.314 -7.914 8.389 1.00 0.00 C ATOM 563 NE2 HIS A 578 8.729 -6.839 9.033 1.00 0.00 N ATOM 0 H HIS A 578 4.470 -3.716 7.160 1.00 0.00 H new ATOM 0 HA HIS A 578 5.471 -6.357 6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 578 5.085 -5.109 8.943 1.00 0.00 H new ATOM 0 HB3 HIS A 578 4.519 -6.761 8.794 1.00 0.00 H new ATOM 0 HD2 HIS A 578 7.713 -4.987 9.623 1.00 0.00 H new ATOM 0 HE1 HIS A 578 8.915 -8.780 8.152 1.00 0.00 H new ATOM 0 HE2 HIS A 578 9.673 -6.689 9.389 1.00 0.00 H new ATOM 572 N TYR A 579 2.695 -5.480 5.785 1.00 0.00 N ATOM 573 CA TYR A 579 1.302 -5.780 5.474 1.00 0.00 C ATOM 574 C TYR A 579 1.154 -7.022 4.608 1.00 0.00 C ATOM 575 O TYR A 579 1.946 -7.268 3.698 1.00 0.00 O ATOM 576 CB TYR A 579 0.641 -4.593 4.774 1.00 0.00 C ATOM 577 CG TYR A 579 -0.317 -3.833 5.657 1.00 0.00 C ATOM 578 CD1 TYR A 579 -1.493 -3.312 5.138 1.00 0.00 C ATOM 579 CD2 TYR A 579 -0.056 -3.650 7.008 1.00 0.00 C ATOM 580 CE1 TYR A 579 -2.385 -2.630 5.939 1.00 0.00 C ATOM 581 CE2 TYR A 579 -0.942 -2.966 7.819 1.00 0.00 C ATOM 582 CZ TYR A 579 -2.106 -2.459 7.278 1.00 0.00 C ATOM 583 OH TYR A 579 -2.996 -1.783 8.082 1.00 0.00 O ATOM 0 H TYR A 579 3.083 -4.692 5.267 1.00 0.00 H new ATOM 0 HA TYR A 579 0.805 -5.974 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 579 1.415 -3.912 4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 579 0.106 -4.951 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -1.714 -3.443 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 579 0.854 -4.048 7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -3.297 -2.232 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -0.725 -2.829 8.868 1.00 0.00 H new ATOM 0 HH TYR A 579 -2.635 -1.723 8.991 1.00 0.00 H new ATOM 593 N SER A 580 0.106 -7.784 4.895 1.00 0.00 N ATOM 594 CA SER A 580 -0.202 -8.995 4.149 1.00 0.00 C ATOM 595 C SER A 580 -1.311 -8.715 3.144 1.00 0.00 C ATOM 596 O SER A 580 -1.999 -7.699 3.240 1.00 0.00 O ATOM 597 CB SER A 580 -0.651 -10.100 5.104 1.00 0.00 C ATOM 598 OG SER A 580 -1.998 -9.901 5.509 1.00 0.00 O ATOM 0 H SER A 580 -0.551 -7.580 5.648 1.00 0.00 H new ATOM 0 HA SER A 580 0.695 -9.319 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 580 -0.553 -11.070 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 580 -0.002 -10.116 5.980 1.00 0.00 H new ATOM 0 HG SER A 580 -2.033 -9.205 6.198 1.00 0.00 H new ATOM 604 N MET A 581 -1.505 -9.624 2.198 1.00 0.00 N ATOM 605 CA MET A 581 -2.562 -9.459 1.210 1.00 0.00 C ATOM 606 C MET A 581 -3.909 -9.344 1.920 1.00 0.00 C ATOM 607 O MET A 581 -4.827 -8.677 1.441 1.00 0.00 O ATOM 608 CB MET A 581 -2.573 -10.639 0.234 1.00 0.00 C ATOM 609 CG MET A 581 -3.711 -10.587 -0.775 1.00 0.00 C ATOM 610 SD MET A 581 -3.132 -10.565 -2.483 1.00 0.00 S ATOM 611 CE MET A 581 -1.854 -9.313 -2.393 1.00 0.00 C ATOM 0 H MET A 581 -0.951 -10.474 2.094 1.00 0.00 H new ATOM 0 HA MET A 581 -2.378 -8.548 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 581 -1.624 -10.664 -0.302 1.00 0.00 H new ATOM 0 HB3 MET A 581 -2.644 -11.567 0.801 1.00 0.00 H new ATOM 0 HG2 MET A 581 -4.361 -11.450 -0.628 1.00 0.00 H new ATOM 0 HG3 MET A 581 -4.314 -9.698 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 581 -1.821 -8.758 -3.331 1.00 0.00 H new ATOM 0 HE2 MET A 581 -2.073 -8.628 -1.574 1.00 0.00 H new ATOM 0 HE3 MET A 581 -0.889 -9.790 -2.220 1.00 0.00 H new ATOM 621 N ASP A 582 -4.006 -9.992 3.081 1.00 0.00 N ATOM 622 CA ASP A 582 -5.222 -9.959 3.879 1.00 0.00 C ATOM 623 C ASP A 582 -5.451 -8.559 4.436 1.00 0.00 C ATOM 624 O ASP A 582 -6.533 -7.992 4.283 1.00 0.00 O ATOM 625 CB ASP A 582 -5.138 -10.971 5.023 1.00 0.00 C ATOM 626 CG ASP A 582 -6.505 -11.390 5.526 1.00 0.00 C ATOM 627 OD1 ASP A 582 -7.067 -10.677 6.383 1.00 0.00 O ATOM 628 OD2 ASP A 582 -7.014 -12.432 5.062 1.00 0.00 O ATOM 0 H ASP A 582 -3.252 -10.546 3.487 1.00 0.00 H new ATOM 0 HA ASP A 582 -6.062 -10.225 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -4.592 -11.852 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -4.568 -10.539 5.846 1.00 0.00 H new ATOM 633 N ASP A 583 -4.424 -7.998 5.074 1.00 0.00 N ATOM 634 CA ASP A 583 -4.525 -6.654 5.637 1.00 0.00 C ATOM 635 C ASP A 583 -4.855 -5.645 4.543 1.00 0.00 C ATOM 636 O ASP A 583 -5.714 -4.781 4.715 1.00 0.00 O ATOM 637 CB ASP A 583 -3.217 -6.254 6.328 1.00 0.00 C ATOM 638 CG ASP A 583 -2.812 -7.230 7.414 1.00 0.00 C ATOM 639 OD1 ASP A 583 -3.593 -7.410 8.372 1.00 0.00 O ATOM 640 OD2 ASP A 583 -1.714 -7.817 7.305 1.00 0.00 O ATOM 0 H ASP A 583 -3.520 -8.450 5.213 1.00 0.00 H new ATOM 0 HA ASP A 583 -5.326 -6.657 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 583 -2.422 -6.192 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 583 -3.328 -5.260 6.761 1.00 0.00 H new ATOM 645 N LEU A 584 -4.161 -5.771 3.417 1.00 0.00 N ATOM 646 CA LEU A 584 -4.361 -4.881 2.280 1.00 0.00 C ATOM 647 C LEU A 584 -5.805 -4.998 1.777 1.00 0.00 C ATOM 648 O LEU A 584 -6.432 -4.010 1.360 1.00 0.00 O ATOM 649 CB LEU A 584 -3.363 -5.244 1.175 1.00 0.00 C ATOM 650 CG LEU A 584 -2.622 -4.060 0.551 1.00 0.00 C ATOM 651 CD1 LEU A 584 -1.747 -4.517 -0.609 1.00 0.00 C ATOM 652 CD2 LEU A 584 -3.600 -2.991 0.099 1.00 0.00 C ATOM 0 H LEU A 584 -3.450 -6.487 3.267 1.00 0.00 H new ATOM 0 HA LEU A 584 -4.190 -3.847 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -2.628 -5.937 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -3.896 -5.775 0.386 1.00 0.00 H new ATOM 0 HG LEU A 584 -1.974 -3.628 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -1.231 -3.657 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -1.014 -5.239 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -2.370 -4.982 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -3.051 -2.159 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -4.280 -3.410 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -4.172 -2.635 0.956 1.00 0.00 H new ATOM 664 N ALA A 585 -6.337 -6.214 1.847 1.00 0.00 N ATOM 665 CA ALA A 585 -7.708 -6.469 1.433 1.00 0.00 C ATOM 666 C ALA A 585 -8.673 -5.941 2.487 1.00 0.00 C ATOM 667 O ALA A 585 -9.772 -5.486 2.169 1.00 0.00 O ATOM 668 CB ALA A 585 -7.928 -7.958 1.204 1.00 0.00 C ATOM 0 H ALA A 585 -5.838 -7.036 2.187 1.00 0.00 H new ATOM 0 HA ALA A 585 -7.895 -5.950 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 585 -8.959 -8.130 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 585 -7.252 -8.310 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 585 -7.731 -8.501 2.128 1.00 0.00 H new ATOM 674 N SER A 586 -8.243 -5.992 3.746 1.00 0.00 N ATOM 675 CA SER A 586 -9.053 -5.509 4.855 1.00 0.00 C ATOM 676 C SER A 586 -9.329 -4.022 4.691 1.00 0.00 C ATOM 677 O SER A 586 -10.449 -3.559 4.903 1.00 0.00 O ATOM 678 CB SER A 586 -8.347 -5.768 6.187 1.00 0.00 C ATOM 679 OG SER A 586 -9.274 -6.142 7.192 1.00 0.00 O ATOM 0 H SER A 586 -7.334 -6.365 4.021 1.00 0.00 H new ATOM 0 HA SER A 586 -10.000 -6.048 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 586 -7.605 -6.556 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 586 -7.811 -4.872 6.498 1.00 0.00 H new ATOM 0 HG SER A 586 -8.797 -6.304 8.033 1.00 0.00 H new ATOM 685 N LEU A 587 -8.301 -3.282 4.287 1.00 0.00 N ATOM 686 CA LEU A 587 -8.441 -1.845 4.066 1.00 0.00 C ATOM 687 C LEU A 587 -9.460 -1.587 2.961 1.00 0.00 C ATOM 688 O LEU A 587 -10.006 -0.489 2.856 1.00 0.00 O ATOM 689 CB LEU A 587 -7.104 -1.197 3.687 1.00 0.00 C ATOM 690 CG LEU A 587 -5.845 -1.933 4.150 1.00 0.00 C ATOM 691 CD1 LEU A 587 -4.606 -1.146 3.759 1.00 0.00 C ATOM 692 CD2 LEU A 587 -5.883 -2.166 5.653 1.00 0.00 C ATOM 0 H LEU A 587 -7.367 -3.650 4.107 1.00 0.00 H new ATOM 0 HA LEU A 587 -8.782 -1.399 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -7.065 -1.100 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -7.083 -0.188 4.099 1.00 0.00 H new ATOM 0 HG LEU A 587 -5.808 -2.905 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.716 -1.679 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -4.575 -1.031 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.637 -0.162 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -4.979 -2.691 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -5.941 -1.207 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -6.756 -2.767 5.906 1.00 0.00 H new ATOM 704 N LYS A 588 -9.707 -2.621 2.148 1.00 0.00 N ATOM 705 CA LYS A 588 -10.661 -2.560 1.041 1.00 0.00 C ATOM 706 C LYS A 588 -9.964 -2.352 -0.301 1.00 0.00 C ATOM 707 O LYS A 588 -10.599 -1.926 -1.265 1.00 0.00 O ATOM 708 CB LYS A 588 -11.700 -1.461 1.264 1.00 0.00 C ATOM 709 CG LYS A 588 -12.978 -1.653 0.464 1.00 0.00 C ATOM 710 CD LYS A 588 -13.889 -0.440 0.570 1.00 0.00 C ATOM 711 CE LYS A 588 -14.873 -0.380 -0.586 1.00 0.00 C ATOM 712 NZ LYS A 588 -14.374 0.473 -1.699 1.00 0.00 N ATOM 0 H LYS A 588 -9.247 -3.527 2.242 1.00 0.00 H new ATOM 0 HA LYS A 588 -11.170 -3.524 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 588 -11.949 -1.419 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 588 -11.260 -0.499 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 588 -12.730 -1.833 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 588 -13.504 -2.537 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 588 -14.435 -0.475 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 588 -13.287 0.468 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 588 -15.059 -1.388 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 588 -15.827 0.009 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 -15.075 0.487 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 -14.221 1.442 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 -13.477 0.087 -2.056 1.00 0.00 H new ATOM 726 N ILE A 589 -8.667 -2.663 -0.384 1.00 0.00 N ATOM 727 CA ILE A 589 -7.956 -2.500 -1.645 1.00 0.00 C ATOM 728 C ILE A 589 -8.267 -3.668 -2.586 1.00 0.00 C ATOM 729 O ILE A 589 -8.132 -4.831 -2.207 1.00 0.00 O ATOM 730 CB ILE A 589 -6.433 -2.364 -1.431 1.00 0.00 C ATOM 731 CG1 ILE A 589 -6.112 -0.966 -0.895 1.00 0.00 C ATOM 732 CG2 ILE A 589 -5.675 -2.620 -2.730 1.00 0.00 C ATOM 733 CD1 ILE A 589 -5.722 -0.943 0.565 1.00 0.00 C ATOM 0 H ILE A 589 -8.104 -3.020 0.388 1.00 0.00 H new ATOM 0 HA ILE A 589 -8.304 -1.574 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 589 -6.115 -3.111 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 589 -5.300 -0.540 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 589 -6.981 -0.324 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 589 -4.604 -2.518 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 589 -5.890 -3.628 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 589 -5.988 -1.897 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 589 -5.510 0.082 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 589 -6.541 -1.338 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 589 -4.833 -1.556 0.714 1.00 0.00 H new ATOM 745 N PRO A 590 -8.704 -3.369 -3.824 1.00 0.00 N ATOM 746 CA PRO A 590 -9.055 -4.396 -4.815 1.00 0.00 C ATOM 747 C PRO A 590 -7.941 -5.412 -5.038 1.00 0.00 C ATOM 748 O PRO A 590 -6.781 -5.164 -4.709 1.00 0.00 O ATOM 749 CB PRO A 590 -9.309 -3.591 -6.091 1.00 0.00 C ATOM 750 CG PRO A 590 -9.699 -2.237 -5.608 1.00 0.00 C ATOM 751 CD PRO A 590 -8.908 -2.007 -4.352 1.00 0.00 C ATOM 0 HA PRO A 590 -9.909 -4.990 -4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -8.417 -3.547 -6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -10.099 -4.040 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -9.476 -1.476 -6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -10.770 -2.186 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -7.960 -1.510 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -9.450 -1.379 -3.645 1.00 0.00 H new ATOM 759 N GLU A 591 -8.308 -6.562 -5.597 1.00 0.00 N ATOM 760 CA GLU A 591 -7.351 -7.629 -5.867 1.00 0.00 C ATOM 761 C GLU A 591 -6.431 -7.271 -7.032 1.00 0.00 C ATOM 762 O GLU A 591 -5.313 -7.777 -7.128 1.00 0.00 O ATOM 763 CB GLU A 591 -8.089 -8.934 -6.170 1.00 0.00 C ATOM 764 CG GLU A 591 -7.268 -10.180 -5.874 1.00 0.00 C ATOM 765 CD GLU A 591 -7.073 -11.056 -7.095 1.00 0.00 C ATOM 766 OE1 GLU A 591 -6.162 -10.761 -7.898 1.00 0.00 O ATOM 767 OE2 GLU A 591 -7.829 -12.038 -7.248 1.00 0.00 O ATOM 0 H GLU A 591 -9.266 -6.779 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 591 -6.736 -7.758 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -9.008 -8.967 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -8.380 -8.942 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -6.294 -9.884 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -7.761 -10.758 -5.092 1.00 0.00 H new ATOM 774 N GLN A 592 -6.909 -6.406 -7.919 1.00 0.00 N ATOM 775 CA GLN A 592 -6.128 -5.993 -9.080 1.00 0.00 C ATOM 776 C GLN A 592 -5.065 -4.961 -8.706 1.00 0.00 C ATOM 777 O GLN A 592 -4.130 -4.721 -9.469 1.00 0.00 O ATOM 778 CB GLN A 592 -7.048 -5.419 -10.159 1.00 0.00 C ATOM 779 CG GLN A 592 -8.281 -6.268 -10.422 1.00 0.00 C ATOM 780 CD GLN A 592 -8.599 -6.391 -11.900 1.00 0.00 C ATOM 781 OE1 GLN A 592 -8.071 -5.646 -12.725 1.00 0.00 O ATOM 782 NE2 GLN A 592 -9.470 -7.334 -12.242 1.00 0.00 N ATOM 0 H GLN A 592 -7.832 -5.977 -7.857 1.00 0.00 H new ATOM 0 HA GLN A 592 -5.620 -6.877 -9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 592 -7.363 -4.419 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 592 -6.485 -5.314 -11.086 1.00 0.00 H new ATOM 0 HG2 GLN A 592 -8.129 -7.263 -10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 592 -9.136 -5.831 -9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 592 -9.884 -7.930 -11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 592 -9.725 -7.462 -13.221 1.00 0.00 H new ATOM 791 N PHE A 593 -5.211 -4.347 -7.534 1.00 0.00 N ATOM 792 CA PHE A 593 -4.258 -3.339 -7.081 1.00 0.00 C ATOM 793 C PHE A 593 -3.484 -3.813 -5.856 1.00 0.00 C ATOM 794 O PHE A 593 -2.311 -3.480 -5.685 1.00 0.00 O ATOM 795 CB PHE A 593 -4.980 -2.031 -6.763 1.00 0.00 C ATOM 796 CG PHE A 593 -5.714 -1.449 -7.937 1.00 0.00 C ATOM 797 CD1 PHE A 593 -5.019 -0.940 -9.022 1.00 0.00 C ATOM 798 CD2 PHE A 593 -7.097 -1.414 -7.955 1.00 0.00 C ATOM 799 CE1 PHE A 593 -5.692 -0.404 -10.104 1.00 0.00 C ATOM 800 CE2 PHE A 593 -7.777 -0.880 -9.034 1.00 0.00 C ATOM 801 CZ PHE A 593 -7.073 -0.375 -10.110 1.00 0.00 C ATOM 0 H PHE A 593 -5.976 -4.529 -6.884 1.00 0.00 H new ATOM 0 HA PHE A 593 -3.546 -3.172 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 593 -5.688 -2.204 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 593 -4.253 -1.303 -6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 593 -3.939 -0.962 -9.022 1.00 0.00 H new ATOM 0 HD2 PHE A 593 -7.652 -1.808 -7.117 1.00 0.00 H new ATOM 0 HE1 PHE A 593 -5.139 -0.009 -10.943 1.00 0.00 H new ATOM 0 HE2 PHE A 593 -8.857 -0.858 -9.036 1.00 0.00 H new ATOM 0 HZ PHE A 593 -7.602 0.042 -10.955 1.00 0.00 H new ATOM 811 N ARG A 594 -4.144 -4.586 -4.998 1.00 0.00 N ATOM 812 CA ARG A 594 -3.505 -5.090 -3.784 1.00 0.00 C ATOM 813 C ARG A 594 -2.216 -5.841 -4.109 1.00 0.00 C ATOM 814 O ARG A 594 -1.230 -5.739 -3.382 1.00 0.00 O ATOM 815 CB ARG A 594 -4.463 -6.001 -3.007 1.00 0.00 C ATOM 816 CG ARG A 594 -4.576 -7.408 -3.574 1.00 0.00 C ATOM 817 CD ARG A 594 -5.477 -8.283 -2.717 1.00 0.00 C ATOM 818 NE ARG A 594 -6.853 -7.794 -2.683 1.00 0.00 N ATOM 819 CZ ARG A 594 -7.894 -8.537 -2.315 1.00 0.00 C ATOM 820 NH1 ARG A 594 -7.721 -9.799 -1.943 1.00 0.00 N ATOM 821 NH2 ARG A 594 -9.114 -8.015 -2.316 1.00 0.00 N ATOM 0 H ARG A 594 -5.114 -4.876 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 594 -3.253 -4.231 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 594 -4.129 -6.064 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 594 -5.453 -5.545 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 594 -4.970 -7.362 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 594 -3.585 -7.857 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 594 -5.465 -9.302 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 594 -5.082 -8.323 -1.702 1.00 0.00 H new ATOM 0 HE ARG A 594 -7.026 -6.827 -2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 594 -6.786 -10.206 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 594 -8.524 -10.362 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 594 -9.253 -7.045 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 594 -9.912 -8.584 -2.034 1.00 0.00 H new ATOM 835 N HIS A 595 -2.230 -6.594 -5.203 1.00 0.00 N ATOM 836 CA HIS A 595 -1.059 -7.360 -5.614 1.00 0.00 C ATOM 837 C HIS A 595 0.099 -6.433 -5.973 1.00 0.00 C ATOM 838 O HIS A 595 1.218 -6.610 -5.492 1.00 0.00 O ATOM 839 CB HIS A 595 -1.400 -8.260 -6.803 1.00 0.00 C ATOM 840 CG HIS A 595 -0.845 -9.644 -6.683 1.00 0.00 C ATOM 841 ND1 HIS A 595 -0.269 -10.319 -7.739 1.00 0.00 N ATOM 842 CD2 HIS A 595 -0.778 -10.484 -5.622 1.00 0.00 C ATOM 843 CE1 HIS A 595 0.127 -11.513 -7.333 1.00 0.00 C ATOM 844 NE2 HIS A 595 -0.170 -11.637 -6.053 1.00 0.00 N ATOM 0 H HIS A 595 -3.037 -6.690 -5.820 1.00 0.00 H new ATOM 0 HA HIS A 595 -0.752 -7.985 -4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 595 -2.484 -8.319 -6.904 1.00 0.00 H new ATOM 0 HB3 HIS A 595 -1.019 -7.802 -7.716 1.00 0.00 H new ATOM 0 HD2 HIS A 595 -1.136 -10.284 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 595 0.611 -12.260 -7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 595 0.021 -12.457 -5.477 1.00 0.00 H new ATOM 853 N ALA A 596 -0.178 -5.444 -6.816 1.00 0.00 N ATOM 854 CA ALA A 596 0.845 -4.491 -7.231 1.00 0.00 C ATOM 855 C ALA A 596 1.380 -3.721 -6.031 1.00 0.00 C ATOM 856 O ALA A 596 2.591 -3.631 -5.821 1.00 0.00 O ATOM 857 CB ALA A 596 0.284 -3.535 -8.275 1.00 0.00 C ATOM 0 H ALA A 596 -1.099 -5.282 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 596 1.672 -5.044 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 596 1.058 -2.829 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 596 -0.049 -4.101 -9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 596 -0.560 -2.989 -7.853 1.00 0.00 H new ATOM 863 N ILE A 597 0.465 -3.173 -5.242 1.00 0.00 N ATOM 864 CA ILE A 597 0.835 -2.416 -4.054 1.00 0.00 C ATOM 865 C ILE A 597 1.618 -3.293 -3.084 1.00 0.00 C ATOM 866 O ILE A 597 2.689 -2.911 -2.612 1.00 0.00 O ATOM 867 CB ILE A 597 -0.408 -1.843 -3.341 1.00 0.00 C ATOM 868 CG1 ILE A 597 -1.252 -1.025 -4.319 1.00 0.00 C ATOM 869 CG2 ILE A 597 0.004 -0.989 -2.152 1.00 0.00 C ATOM 870 CD1 ILE A 597 -2.665 -0.775 -3.837 1.00 0.00 C ATOM 0 H ILE A 597 -0.540 -3.239 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 597 1.461 -1.585 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 597 -1.009 -2.675 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 597 -0.762 -0.067 -4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 597 -1.290 -1.545 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 597 -0.886 -0.594 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 597 0.568 -1.598 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 597 0.626 -0.163 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 597 -3.205 -0.189 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 597 -3.172 -1.728 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 597 -2.637 -0.227 -2.895 1.00 0.00 H new ATOM 882 N TRP A 598 1.085 -4.478 -2.800 1.00 0.00 N ATOM 883 CA TRP A 598 1.740 -5.417 -1.895 1.00 0.00 C ATOM 884 C TRP A 598 3.163 -5.700 -2.363 1.00 0.00 C ATOM 885 O TRP A 598 4.094 -5.758 -1.558 1.00 0.00 O ATOM 886 CB TRP A 598 0.950 -6.723 -1.812 1.00 0.00 C ATOM 887 CG TRP A 598 1.390 -7.613 -0.690 1.00 0.00 C ATOM 888 CD1 TRP A 598 1.643 -7.241 0.599 1.00 0.00 C ATOM 889 CD2 TRP A 598 1.632 -9.023 -0.757 1.00 0.00 C ATOM 890 NE1 TRP A 598 2.028 -8.334 1.338 1.00 0.00 N ATOM 891 CE2 TRP A 598 2.028 -9.440 0.528 1.00 0.00 C ATOM 892 CE3 TRP A 598 1.550 -9.975 -1.778 1.00 0.00 C ATOM 893 CZ2 TRP A 598 2.342 -10.765 0.818 1.00 0.00 C ATOM 894 CZ3 TRP A 598 1.863 -11.290 -1.489 1.00 0.00 C ATOM 895 CH2 TRP A 598 2.255 -11.675 -0.200 1.00 0.00 C ATOM 0 H TRP A 598 0.201 -4.811 -3.184 1.00 0.00 H new ATOM 0 HA TRP A 598 1.777 -4.966 -0.903 1.00 0.00 H new ATOM 0 HB2 TRP A 598 -0.108 -6.492 -1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 598 1.052 -7.261 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 598 1.554 -6.235 0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.274 -8.324 2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 598 1.248 -9.688 -2.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 2.643 -11.064 1.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.804 -12.033 -2.270 1.00 0.00 H new ATOM 0 HH2 TRP A 598 2.493 -12.710 -0.006 1.00 0.00 H new ATOM 906 N LYS A 599 3.325 -5.868 -3.672 1.00 0.00 N ATOM 907 CA LYS A 599 4.634 -6.134 -4.252 1.00 0.00 C ATOM 908 C LYS A 599 5.593 -4.992 -3.941 1.00 0.00 C ATOM 909 O LYS A 599 6.739 -5.217 -3.552 1.00 0.00 O ATOM 910 CB LYS A 599 4.517 -6.325 -5.765 1.00 0.00 C ATOM 911 CG LYS A 599 4.282 -7.767 -6.181 1.00 0.00 C ATOM 912 CD LYS A 599 5.503 -8.631 -5.911 1.00 0.00 C ATOM 913 CE LYS A 599 5.111 -10.031 -5.470 1.00 0.00 C ATOM 914 NZ LYS A 599 6.277 -10.797 -4.952 1.00 0.00 N ATOM 0 H LYS A 599 2.564 -5.824 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 599 5.027 -7.051 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 599 3.698 -5.710 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 599 5.429 -5.963 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 599 3.425 -8.168 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 599 4.036 -7.805 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 599 6.114 -8.690 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 599 6.116 -8.164 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 599 4.346 -9.967 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 599 4.670 -10.566 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 5.967 -11.746 -4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 6.997 -10.881 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 6.683 -10.300 -4.134 1.00 0.00 H new ATOM 928 N GLY A 600 5.112 -3.764 -4.109 1.00 0.00 N ATOM 929 CA GLY A 600 5.935 -2.602 -3.834 1.00 0.00 C ATOM 930 C GLY A 600 6.396 -2.556 -2.391 1.00 0.00 C ATOM 931 O GLY A 600 7.543 -2.207 -2.108 1.00 0.00 O ATOM 0 H GLY A 600 4.167 -3.554 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 600 6.804 -2.611 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 600 5.372 -1.697 -4.063 1.00 0.00 H new ATOM 935 N ILE A 601 5.500 -2.912 -1.473 1.00 0.00 N ATOM 936 CA ILE A 601 5.821 -2.913 -0.051 1.00 0.00 C ATOM 937 C ILE A 601 6.891 -3.953 0.265 1.00 0.00 C ATOM 938 O ILE A 601 7.856 -3.670 0.976 1.00 0.00 O ATOM 939 CB ILE A 601 4.571 -3.201 0.808 1.00 0.00 C ATOM 940 CG1 ILE A 601 3.449 -2.223 0.459 1.00 0.00 C ATOM 941 CG2 ILE A 601 4.909 -3.117 2.292 1.00 0.00 C ATOM 942 CD1 ILE A 601 3.784 -0.783 0.777 1.00 0.00 C ATOM 0 H ILE A 601 4.547 -3.203 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 601 6.197 -1.919 0.192 1.00 0.00 H new ATOM 0 HB ILE A 601 4.229 -4.213 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 601 3.220 -2.309 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 601 2.548 -2.507 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 601 4.015 -3.323 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 601 5.679 -3.851 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 601 5.275 -2.117 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 601 2.943 -0.145 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 601 3.984 -0.683 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 601 4.667 -0.482 0.213 1.00 0.00 H new ATOM 954 N LEU A 602 6.713 -5.158 -0.266 1.00 0.00 N ATOM 955 CA LEU A 602 7.658 -6.242 -0.042 1.00 0.00 C ATOM 956 C LEU A 602 9.021 -5.912 -0.643 1.00 0.00 C ATOM 957 O LEU A 602 10.059 -6.276 -0.091 1.00 0.00 O ATOM 958 CB LEU A 602 7.119 -7.537 -0.646 1.00 0.00 C ATOM 959 CG LEU A 602 6.000 -8.207 0.152 1.00 0.00 C ATOM 960 CD1 LEU A 602 5.109 -9.031 -0.765 1.00 0.00 C ATOM 961 CD2 LEU A 602 6.580 -9.075 1.257 1.00 0.00 C ATOM 0 H LEU A 602 5.919 -5.407 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 602 7.782 -6.371 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 602 6.752 -7.326 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 602 7.943 -8.243 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 602 5.391 -7.428 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 602 4.319 -9.500 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 602 4.665 -8.382 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 602 5.704 -9.802 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 602 5.769 -9.544 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 602 7.213 -9.847 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 602 7.174 -8.458 1.931 1.00 0.00 H new ATOM 973 N ASP A 603 9.010 -5.222 -1.780 1.00 0.00 N ATOM 974 CA ASP A 603 10.246 -4.845 -2.456 1.00 0.00 C ATOM 975 C ASP A 603 11.035 -3.836 -1.626 1.00 0.00 C ATOM 976 O ASP A 603 12.264 -3.812 -1.666 1.00 0.00 O ATOM 977 CB ASP A 603 9.939 -4.261 -3.835 1.00 0.00 C ATOM 978 CG ASP A 603 10.940 -4.703 -4.885 1.00 0.00 C ATOM 979 OD1 ASP A 603 12.157 -4.614 -4.619 1.00 0.00 O ATOM 980 OD2 ASP A 603 10.507 -5.138 -5.973 1.00 0.00 O ATOM 0 H ASP A 603 8.160 -4.913 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 603 10.854 -5.742 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 603 8.938 -4.565 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 603 9.937 -3.173 -3.774 1.00 0.00 H new ATOM 985 N HIS A 604 10.318 -3.004 -0.878 1.00 0.00 N ATOM 986 CA HIS A 604 10.952 -1.992 -0.040 1.00 0.00 C ATOM 987 C HIS A 604 11.837 -2.639 1.020 1.00 0.00 C ATOM 988 O HIS A 604 12.868 -2.086 1.405 1.00 0.00 O ATOM 989 CB HIS A 604 9.890 -1.119 0.630 1.00 0.00 C ATOM 990 CG HIS A 604 10.455 0.071 1.342 1.00 0.00 C ATOM 991 ND1 HIS A 604 10.854 1.220 0.690 1.00 0.00 N ATOM 992 CD2 HIS A 604 10.686 0.288 2.659 1.00 0.00 C ATOM 993 CE1 HIS A 604 11.307 2.090 1.575 1.00 0.00 C ATOM 994 NE2 HIS A 604 11.215 1.549 2.776 1.00 0.00 N ATOM 0 H HIS A 604 9.299 -3.010 -0.835 1.00 0.00 H new ATOM 0 HA HIS A 604 11.578 -1.368 -0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 604 9.182 -0.778 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 604 9.329 -1.725 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 604 10.490 -0.402 3.466 1.00 0.00 H new ATOM 0 HE1 HIS A 604 11.688 3.076 1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 604 11.492 1.996 3.650 1.00 0.00 H new ATOM 1003 N ARG A 605 11.429 -3.812 1.490 1.00 0.00 N ATOM 1004 CA ARG A 605 12.186 -4.535 2.506 1.00 0.00 C ATOM 1005 C ARG A 605 13.420 -5.196 1.901 1.00 0.00 C ATOM 1006 O ARG A 605 14.436 -5.369 2.574 1.00 0.00 O ATOM 1007 CB ARG A 605 11.302 -5.590 3.175 1.00 0.00 C ATOM 1008 CG ARG A 605 10.629 -5.100 4.446 1.00 0.00 C ATOM 1009 CD ARG A 605 9.587 -6.089 4.946 1.00 0.00 C ATOM 1010 NE ARG A 605 10.052 -6.830 6.116 1.00 0.00 N ATOM 1011 CZ ARG A 605 10.778 -7.944 6.053 1.00 0.00 C ATOM 1012 NH1 ARG A 605 11.131 -8.453 4.879 1.00 0.00 N ATOM 1013 NH2 ARG A 605 11.155 -8.552 7.170 1.00 0.00 N ATOM 0 H ARG A 605 10.578 -4.283 1.184 1.00 0.00 H new ATOM 0 HA ARG A 605 12.515 -3.817 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 605 10.536 -5.912 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 605 11.908 -6.465 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 605 11.381 -4.942 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 605 10.156 -4.136 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 605 8.671 -5.554 5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 605 9.340 -6.789 4.148 1.00 0.00 H new ATOM 0 HE ARG A 605 9.805 -6.472 7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 605 10.846 -7.990 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 605 11.687 -9.307 4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 605 10.889 -8.166 8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 605 11.711 -9.406 7.123 1.00 0.00 H new ATOM 1027 N GLN A 606 13.326 -5.564 0.626 1.00 0.00 N ATOM 1028 CA GLN A 606 14.435 -6.207 -0.069 1.00 0.00 C ATOM 1029 C GLN A 606 15.682 -5.327 -0.043 1.00 0.00 C ATOM 1030 O GLN A 606 16.806 -5.825 -0.116 1.00 0.00 O ATOM 1031 CB GLN A 606 14.045 -6.516 -1.516 1.00 0.00 C ATOM 1032 CG GLN A 606 13.215 -7.780 -1.665 1.00 0.00 C ATOM 1033 CD GLN A 606 14.043 -8.976 -2.091 1.00 0.00 C ATOM 1034 OE1 GLN A 606 14.046 -10.012 -1.428 1.00 0.00 O ATOM 1035 NE2 GLN A 606 14.752 -8.837 -3.206 1.00 0.00 N ATOM 0 H GLN A 606 12.493 -5.427 0.054 1.00 0.00 H new ATOM 0 HA GLN A 606 14.662 -7.139 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 606 13.484 -5.673 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 606 14.951 -6.613 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 606 12.725 -8.002 -0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 606 12.427 -7.608 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 606 14.720 -7.959 -3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 606 15.328 -9.608 -3.543 1.00 0.00 H new ATOM 1044 N LEU A 607 15.476 -4.017 0.062 1.00 0.00 N ATOM 1045 CA LEU A 607 16.584 -3.068 0.098 1.00 0.00 C ATOM 1046 C LEU A 607 17.535 -3.382 1.251 1.00 0.00 C ATOM 1047 O LEU A 607 18.740 -3.150 1.155 1.00 0.00 O ATOM 1048 CB LEU A 607 16.055 -1.639 0.231 1.00 0.00 C ATOM 1049 CG LEU A 607 15.758 -0.933 -1.093 1.00 0.00 C ATOM 1050 CD1 LEU A 607 15.110 0.420 -0.842 1.00 0.00 C ATOM 1051 CD2 LEU A 607 17.032 -0.774 -1.908 1.00 0.00 C ATOM 0 H LEU A 607 14.552 -3.589 0.124 1.00 0.00 H new ATOM 0 HA LEU A 607 17.136 -3.158 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 607 15.143 -1.660 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 607 16.784 -1.048 0.785 1.00 0.00 H new ATOM 0 HG LEU A 607 15.060 -1.546 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 607 14.906 0.908 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 607 14.176 0.281 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 607 15.784 1.042 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 607 16.803 -0.270 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 607 17.753 -0.182 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 607 17.455 -1.757 -2.118 1.00 0.00 H new ATOM 1063 N HIS A 608 16.983 -3.909 2.338 1.00 0.00 N ATOM 1064 CA HIS A 608 17.782 -4.254 3.509 1.00 0.00 C ATOM 1065 C HIS A 608 18.393 -5.644 3.360 1.00 0.00 C ATOM 1066 O HIS A 608 19.485 -5.909 3.862 1.00 0.00 O ATOM 1067 CB HIS A 608 16.924 -4.193 4.774 1.00 0.00 C ATOM 1068 CG HIS A 608 17.670 -3.716 5.981 1.00 0.00 C ATOM 1069 ND1 HIS A 608 18.563 -2.666 5.947 1.00 0.00 N ATOM 1070 CD2 HIS A 608 17.653 -4.152 7.263 1.00 0.00 C ATOM 1071 CE1 HIS A 608 19.063 -2.477 7.155 1.00 0.00 C ATOM 1072 NE2 HIS A 608 18.527 -3.365 7.972 1.00 0.00 N ATOM 0 H HIS A 608 15.987 -4.107 2.433 1.00 0.00 H new ATOM 0 HA HIS A 608 18.591 -3.529 3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 608 16.076 -3.532 4.596 1.00 0.00 H new ATOM 0 HB3 HIS A 608 16.518 -5.184 4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 608 17.062 -4.967 7.655 1.00 0.00 H new ATOM 0 HE1 HIS A 608 19.787 -1.724 7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 608 18.729 -3.452 8.968 1.00 0.00 H new ATOM 1081 N GLU A 609 17.682 -6.526 2.667 1.00 0.00 N ATOM 1082 CA GLU A 609 18.154 -7.889 2.451 1.00 0.00 C ATOM 1083 C GLU A 609 17.796 -8.373 1.050 1.00 0.00 C ATOM 1084 O GLU A 609 16.726 -8.941 0.833 1.00 0.00 O ATOM 1085 CB GLU A 609 17.556 -8.830 3.497 1.00 0.00 C ATOM 1086 CG GLU A 609 18.419 -10.048 3.785 1.00 0.00 C ATOM 1087 CD GLU A 609 17.608 -11.321 3.918 1.00 0.00 C ATOM 1088 OE1 GLU A 609 17.996 -12.192 4.724 1.00 0.00 O ATOM 1089 OE2 GLU A 609 16.583 -11.447 3.214 1.00 0.00 O ATOM 0 H GLU A 609 16.776 -6.322 2.245 1.00 0.00 H new ATOM 0 HA GLU A 609 19.240 -7.891 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 609 17.401 -8.278 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 609 16.575 -9.162 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 609 19.149 -10.169 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 609 18.980 -9.882 4.705 1.00 0.00 H new ATOM 1096 N PHE A 610 18.698 -8.144 0.102 1.00 0.00 N ATOM 1097 CA PHE A 610 18.478 -8.557 -1.280 1.00 0.00 C ATOM 1098 C PHE A 610 19.326 -9.776 -1.625 1.00 0.00 C ATOM 1099 O PHE A 610 20.205 -10.171 -0.859 1.00 0.00 O ATOM 1100 CB PHE A 610 18.803 -7.407 -2.236 1.00 0.00 C ATOM 1101 CG PHE A 610 20.148 -6.785 -1.991 1.00 0.00 C ATOM 1102 CD1 PHE A 610 21.264 -7.220 -2.689 1.00 0.00 C ATOM 1103 CD2 PHE A 610 20.297 -5.767 -1.064 1.00 0.00 C ATOM 1104 CE1 PHE A 610 22.503 -6.649 -2.466 1.00 0.00 C ATOM 1105 CE2 PHE A 610 21.533 -5.193 -0.836 1.00 0.00 C ATOM 1106 CZ PHE A 610 22.637 -5.634 -1.539 1.00 0.00 C ATOM 0 H PHE A 610 19.589 -7.675 0.265 1.00 0.00 H new ATOM 0 HA PHE A 610 17.427 -8.825 -1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 610 18.763 -7.775 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 610 18.034 -6.640 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 610 21.164 -8.014 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 610 19.437 -5.418 -0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 610 23.365 -6.996 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 610 21.636 -4.401 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 610 23.604 -5.186 -1.364 1.00 0.00 H new ATOM 1116 N SER A 611 19.056 -10.369 -2.783 1.00 0.00 N ATOM 1117 CA SER A 611 19.794 -11.544 -3.231 1.00 0.00 C ATOM 1118 C SER A 611 20.943 -11.148 -4.153 1.00 0.00 C ATOM 1119 O SER A 611 21.960 -11.838 -4.224 1.00 0.00 O ATOM 1120 CB SER A 611 18.857 -12.515 -3.952 1.00 0.00 C ATOM 1121 OG SER A 611 19.512 -13.740 -4.232 1.00 0.00 O ATOM 0 H SER A 611 18.331 -10.055 -3.428 1.00 0.00 H new ATOM 0 HA SER A 611 20.212 -12.036 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 611 17.977 -12.702 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 611 18.506 -12.065 -4.881 1.00 0.00 H new ATOM 0 HG SER A 611 18.893 -14.345 -4.692 1.00 0.00 H new ATOM 1127 N SER A 612 20.774 -10.033 -4.858 1.00 0.00 N ATOM 1128 CA SER A 612 21.797 -9.548 -5.776 1.00 0.00 C ATOM 1129 C SER A 612 22.071 -10.571 -6.876 1.00 0.00 C ATOM 1130 O SER A 612 22.960 -11.413 -6.744 1.00 0.00 O ATOM 1131 CB SER A 612 23.089 -9.240 -5.018 1.00 0.00 C ATOM 1132 OG SER A 612 24.180 -9.086 -5.907 1.00 0.00 O ATOM 0 H SER A 612 19.939 -9.450 -4.811 1.00 0.00 H new ATOM 0 HA SER A 612 21.429 -8.632 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 612 22.962 -8.329 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 612 23.301 -10.044 -4.314 1.00 0.00 H new ATOM 0 HG SER A 612 24.993 -8.888 -5.396 1.00 0.00 H new ATOM 1138 N PRO A 613 21.307 -10.512 -7.980 1.00 0.00 N ATOM 1139 CA PRO A 613 21.472 -11.439 -9.105 1.00 0.00 C ATOM 1140 C PRO A 613 22.916 -11.508 -9.592 1.00 0.00 C ATOM 1141 O PRO A 613 23.426 -10.560 -10.189 1.00 0.00 O ATOM 1142 CB PRO A 613 20.570 -10.846 -10.189 1.00 0.00 C ATOM 1143 CG PRO A 613 19.536 -10.076 -9.444 1.00 0.00 C ATOM 1144 CD PRO A 613 20.224 -9.539 -8.219 1.00 0.00 C ATOM 0 HA PRO A 613 21.215 -12.462 -8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 613 21.134 -10.201 -10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 613 20.118 -11.628 -10.799 1.00 0.00 H new ATOM 0 HG2 PRO A 613 19.137 -9.266 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 613 18.695 -10.714 -9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 613 20.615 -8.535 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 613 19.543 -9.479 -7.370 1.00 0.00 H new ATOM 1152 N SER A 614 23.567 -12.636 -9.334 1.00 0.00 N ATOM 1153 CA SER A 614 24.953 -12.832 -9.745 1.00 0.00 C ATOM 1154 C SER A 614 25.085 -14.057 -10.644 1.00 0.00 C ATOM 1155 O SER A 614 24.752 -15.173 -10.242 1.00 0.00 O ATOM 1156 CB SER A 614 25.854 -12.983 -8.519 1.00 0.00 C ATOM 1157 OG SER A 614 27.082 -12.299 -8.701 1.00 0.00 O ATOM 0 H SER A 614 23.157 -13.430 -8.842 1.00 0.00 H new ATOM 0 HA SER A 614 25.267 -11.954 -10.310 1.00 0.00 H new ATOM 0 HB2 SER A 614 25.344 -12.593 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 614 26.047 -14.040 -8.333 1.00 0.00 H new ATOM 0 HG SER A 614 27.639 -12.409 -7.903 1.00 0.00 H new ATOM 1163 N HIS A 615 25.572 -13.843 -11.862 1.00 0.00 N ATOM 1164 CA HIS A 615 25.747 -14.931 -12.817 1.00 0.00 C ATOM 1165 C HIS A 615 27.197 -15.023 -13.280 1.00 0.00 C ATOM 1166 O HIS A 615 27.827 -16.075 -13.177 1.00 0.00 O ATOM 1167 CB HIS A 615 24.823 -14.732 -14.022 1.00 0.00 C ATOM 1168 CG HIS A 615 23.782 -15.798 -14.160 1.00 0.00 C ATOM 1169 ND1 HIS A 615 22.516 -15.691 -13.624 1.00 0.00 N ATOM 1170 CD2 HIS A 615 23.823 -17.001 -14.782 1.00 0.00 C ATOM 1171 CE1 HIS A 615 21.826 -16.780 -13.908 1.00 0.00 C ATOM 1172 NE2 HIS A 615 22.596 -17.591 -14.610 1.00 0.00 N ATOM 0 H HIS A 615 25.852 -12.926 -12.211 1.00 0.00 H new ATOM 0 HA HIS A 615 25.487 -15.865 -12.318 1.00 0.00 H new ATOM 0 HB2 HIS A 615 24.330 -13.764 -13.936 1.00 0.00 H new ATOM 0 HB3 HIS A 615 25.425 -14.704 -14.930 1.00 0.00 H new ATOM 0 HD2 HIS A 615 24.665 -17.418 -15.314 1.00 0.00 H new ATOM 0 HE1 HIS A 615 20.805 -16.975 -13.616 1.00 0.00 H new ATOM 0 HE2 HIS A 615 22.323 -18.507 -14.966 1.00 0.00 H new ATOM 1181 N LEU A 616 27.721 -13.914 -13.793 1.00 0.00 N ATOM 1182 CA LEU A 616 29.097 -13.871 -14.273 1.00 0.00 C ATOM 1183 C LEU A 616 29.822 -12.636 -13.746 1.00 0.00 C ATOM 1184 O LEU A 616 29.450 -11.505 -14.058 1.00 0.00 O ATOM 1185 CB LEU A 616 29.124 -13.879 -15.803 1.00 0.00 C ATOM 1186 CG LEU A 616 29.200 -15.268 -16.443 1.00 0.00 C ATOM 1187 CD1 LEU A 616 28.181 -15.399 -17.564 1.00 0.00 C ATOM 1188 CD2 LEU A 616 30.604 -15.539 -16.963 1.00 0.00 C ATOM 0 H LEU A 616 27.214 -13.034 -13.887 1.00 0.00 H new ATOM 0 HA LEU A 616 29.613 -14.756 -13.901 1.00 0.00 H new ATOM 0 HB2 LEU A 616 28.230 -13.375 -16.170 1.00 0.00 H new ATOM 0 HB3 LEU A 616 29.980 -13.294 -16.139 1.00 0.00 H new ATOM 0 HG LEU A 616 28.966 -16.010 -15.680 1.00 0.00 H new ATOM 0 HD11 LEU A 616 28.251 -16.393 -18.005 1.00 0.00 H new ATOM 0 HD12 LEU A 616 27.178 -15.250 -17.163 1.00 0.00 H new ATOM 0 HD13 LEU A 616 28.382 -14.648 -18.328 1.00 0.00 H new ATOM 0 HD21 LEU A 616 30.640 -16.530 -17.415 1.00 0.00 H new ATOM 0 HD22 LEU A 616 30.866 -14.790 -17.710 1.00 0.00 H new ATOM 0 HD23 LEU A 616 31.314 -15.491 -16.137 1.00 0.00 H new ATOM 1200 N LEU A 617 30.861 -12.862 -12.948 1.00 0.00 N ATOM 1201 CA LEU A 617 31.640 -11.767 -12.381 1.00 0.00 C ATOM 1202 C LEU A 617 32.597 -11.191 -13.419 1.00 0.00 C ATOM 1203 O LEU A 617 32.589 -9.989 -13.685 1.00 0.00 O ATOM 1204 CB LEU A 617 32.425 -12.251 -11.160 1.00 0.00 C ATOM 1205 CG LEU A 617 31.633 -12.284 -9.852 1.00 0.00 C ATOM 1206 CD1 LEU A 617 31.228 -10.877 -9.438 1.00 0.00 C ATOM 1207 CD2 LEU A 617 30.408 -13.174 -9.994 1.00 0.00 C ATOM 0 H LEU A 617 31.182 -13.792 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 617 30.950 -10.982 -12.072 1.00 0.00 H new ATOM 0 HB2 LEU A 617 32.802 -13.253 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 617 33.292 -11.605 -11.025 1.00 0.00 H new ATOM 0 HG LEU A 617 32.271 -12.700 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 617 30.665 -10.920 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 617 32.121 -10.268 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 617 30.607 -10.433 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 617 29.856 -13.186 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 617 29.767 -12.787 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 617 30.722 -14.188 -10.244 1.00 0.00 H new ATOM 1219 N ARG A 618 33.420 -12.061 -14.001 1.00 0.00 N ATOM 1220 CA ARG A 618 34.390 -11.653 -15.016 1.00 0.00 C ATOM 1221 C ARG A 618 35.119 -10.374 -14.612 1.00 0.00 C ATOM 1222 O ARG A 618 35.421 -9.528 -15.453 1.00 0.00 O ATOM 1223 CB ARG A 618 33.699 -11.457 -16.367 1.00 0.00 C ATOM 1224 CG ARG A 618 32.701 -10.311 -16.383 1.00 0.00 C ATOM 1225 CD ARG A 618 32.159 -10.065 -17.783 1.00 0.00 C ATOM 1226 NE ARG A 618 33.160 -9.463 -18.659 1.00 0.00 N ATOM 1227 CZ ARG A 618 32.879 -8.922 -19.843 1.00 0.00 C ATOM 1228 NH1 ARG A 618 31.631 -8.907 -20.294 1.00 0.00 N ATOM 1229 NH2 ARG A 618 33.849 -8.395 -20.577 1.00 0.00 N ATOM 0 H ARG A 618 33.434 -13.058 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 618 35.129 -12.449 -15.104 1.00 0.00 H new ATOM 0 HB2 ARG A 618 34.457 -11.278 -17.130 1.00 0.00 H new ATOM 0 HB3 ARG A 618 33.185 -12.379 -16.639 1.00 0.00 H new ATOM 0 HG2 ARG A 618 31.876 -10.535 -15.706 1.00 0.00 H new ATOM 0 HG3 ARG A 618 33.180 -9.405 -16.012 1.00 0.00 H new ATOM 0 HD2 ARG A 618 31.822 -11.009 -18.212 1.00 0.00 H new ATOM 0 HD3 ARG A 618 31.288 -9.412 -17.725 1.00 0.00 H new ATOM 0 HE ARG A 618 34.131 -9.456 -18.346 1.00 0.00 H new ATOM 0 HH11 ARG A 618 30.881 -9.311 -19.733 1.00 0.00 H new ATOM 0 HH12 ARG A 618 31.422 -8.491 -21.202 1.00 0.00 H new ATOM 0 HH21 ARG A 618 34.810 -8.404 -20.235 1.00 0.00 H new ATOM 0 HH22 ARG A 618 33.634 -7.980 -21.484 1.00 0.00 H new ATOM 1243 N THR A 619 35.400 -10.241 -13.319 1.00 0.00 N ATOM 1244 CA THR A 619 36.095 -9.066 -12.806 1.00 0.00 C ATOM 1245 C THR A 619 37.610 -9.253 -12.883 1.00 0.00 C ATOM 1246 O THR A 619 38.319 -8.402 -13.419 1.00 0.00 O ATOM 1247 CB THR A 619 35.673 -8.782 -11.361 1.00 0.00 C ATOM 1248 OG1 THR A 619 34.504 -9.509 -11.026 1.00 0.00 O ATOM 1249 CG2 THR A 619 35.394 -7.318 -11.098 1.00 0.00 C ATOM 0 H THR A 619 35.157 -10.932 -12.609 1.00 0.00 H new ATOM 0 HA THR A 619 35.820 -8.213 -13.427 1.00 0.00 H new ATOM 0 HB THR A 619 36.519 -9.092 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 619 34.252 -9.315 -10.099 1.00 0.00 H new ATOM 0 HG21 THR A 619 35.100 -7.185 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 619 36.293 -6.735 -11.299 1.00 0.00 H new ATOM 0 HG23 THR A 619 34.588 -6.979 -11.749 1.00 0.00 H new ATOM 1257 N PRO A 620 38.128 -10.374 -12.349 1.00 0.00 N ATOM 1258 CA PRO A 620 39.567 -10.663 -12.366 1.00 0.00 C ATOM 1259 C PRO A 620 40.112 -10.784 -13.785 1.00 0.00 C ATOM 1260 O PRO A 620 41.089 -10.127 -14.144 1.00 0.00 O ATOM 1261 CB PRO A 620 39.682 -12.008 -11.635 1.00 0.00 C ATOM 1262 CG PRO A 620 38.408 -12.152 -10.877 1.00 0.00 C ATOM 1263 CD PRO A 620 37.362 -11.446 -11.691 1.00 0.00 C ATOM 0 HA PRO A 620 40.144 -9.864 -11.900 1.00 0.00 H new ATOM 0 HB2 PRO A 620 39.816 -12.829 -12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 620 40.542 -12.020 -10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 620 38.152 -13.203 -10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 620 38.493 -11.712 -9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 620 36.895 -12.113 -12.416 1.00 0.00 H new ATOM 0 HD3 PRO A 620 36.564 -11.047 -11.065 1.00 0.00 H new ATOM 1271 N SER A 621 39.472 -11.628 -14.587 1.00 0.00 N ATOM 1272 CA SER A 621 39.889 -11.838 -15.969 1.00 0.00 C ATOM 1273 C SER A 621 38.801 -11.391 -16.938 1.00 0.00 C ATOM 1274 O SER A 621 37.734 -10.938 -16.525 1.00 0.00 O ATOM 1275 CB SER A 621 40.223 -13.312 -16.203 1.00 0.00 C ATOM 1276 OG SER A 621 41.587 -13.577 -15.921 1.00 0.00 O ATOM 0 H SER A 621 38.661 -12.179 -14.304 1.00 0.00 H new ATOM 0 HA SER A 621 40.780 -11.237 -16.150 1.00 0.00 H new ATOM 0 HB2 SER A 621 39.590 -13.936 -15.572 1.00 0.00 H new ATOM 0 HB3 SER A 621 40.004 -13.578 -17.237 1.00 0.00 H new ATOM 0 HG SER A 621 41.775 -14.526 -16.077 1.00 0.00 H new ATOM 1282 N SER A 622 39.077 -11.523 -18.233 1.00 0.00 N ATOM 1283 CA SER A 622 38.121 -11.133 -19.262 1.00 0.00 C ATOM 1284 C SER A 622 37.130 -12.259 -19.539 1.00 0.00 C ATOM 1285 O SER A 622 35.911 -12.019 -19.406 1.00 0.00 O ATOM 1286 CB SER A 622 38.854 -10.755 -20.551 1.00 0.00 C ATOM 1287 OG SER A 622 38.223 -9.660 -21.193 1.00 0.00 O ATOM 1288 OXT SER A 622 37.580 -13.371 -19.885 1.00 0.00 O ATOM 0 H SER A 622 39.955 -11.897 -18.593 1.00 0.00 H new ATOM 0 HA SER A 622 37.567 -10.267 -18.899 1.00 0.00 H new ATOM 0 HB2 SER A 622 39.889 -10.500 -20.323 1.00 0.00 H new ATOM 0 HB3 SER A 622 38.877 -11.612 -21.225 1.00 0.00 H new ATOM 0 HG SER A 622 38.711 -9.436 -22.013 1.00 0.00 H new TER 1294 SER A 622