USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=31 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 574 TYR OH : rot -157:sc= 0.25 USER MOD Set 1.2: A 604 HIS : no HD1:sc= 0.0835 K(o=0.23,f=-0.83) USER MOD Set 1.3: A 608 HIS : no HE2:sc= -0.101 K(o=0.23,f=-1.1) USER MOD Set 2.1: A 581 MET CE :methyl -162:sc= -2.74 (180deg=-3.66!) USER MOD Set 2.2: A 595 HIS :FLIP no HD1:sc=-0.00494 F(o=-4.3,f=-2.7) USER MOD Single : A 542 SER OG : rot 36:sc= 0.397 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 547 CYS SG : rot 180:sc= 0 USER MOD Single : A 548 SER OG : rot -31:sc= 0.307 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 558 CYS SG : rot -102:sc= 0.612 USER MOD Single : A 559 SER OG : rot 180:sc= 0 USER MOD Single : A 560 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 561 CYS SG : rot 128:sc= -0.238 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot -70:sc= 0.184 USER MOD Single : A 567 THR OG1 : rot -91:sc= 0.188 USER MOD Single : A 568 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) USER MOD Single : A 571 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 575 GLN :FLIP amide:sc= -0.474 F(o=-2,f=-0.47) USER MOD Single : A 578 HIS : no HD1:sc= -2.07 X(o=-2.1,f=-1.8) USER MOD Single : A 579 TYR OH : rot -11:sc= -4.12! USER MOD Single : A 580 SER OG : rot -81:sc= 1.38 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 165:sc= 0.0725 (180deg=0.0353) USER MOD Single : A 592 GLN : amide:sc= -0.145 K(o=-0.15,f=-2!) USER MOD Single : A 599 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.028) USER MOD Single : A 606 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 611 SER OG : rot 53:sc= 1.28 USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 614 SER OG : rot 180:sc= -0.157 USER MOD Single : A 615 HIS : no HD1:sc= 0.35 K(o=0.35,f=-1.5) USER MOD Single : A 619 THR OG1 : rot 36:sc= 0.987 USER MOD Single : A 621 SER OG : rot -53:sc= 0.0427 USER MOD Single : A 622 SER OG : rot 180:sc= -0.0152 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 541 18.239 17.579 0.608 1.00 0.00 N ATOM 2 CA GLY A 541 17.944 18.161 1.947 1.00 0.00 C ATOM 3 C GLY A 541 18.279 17.211 3.080 1.00 0.00 C ATOM 4 O GLY A 541 18.950 17.591 4.039 1.00 0.00 O ATOM 0 HA2 GLY A 541 18.511 19.084 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 541 16.888 18.426 2.000 1.00 0.00 H new ATOM 9 N SER A 542 17.810 15.972 2.969 1.00 0.00 N ATOM 10 CA SER A 542 18.064 14.965 3.994 1.00 0.00 C ATOM 11 C SER A 542 17.902 13.558 3.428 1.00 0.00 C ATOM 12 O SER A 542 16.908 13.254 2.769 1.00 0.00 O ATOM 13 CB SER A 542 17.115 15.163 5.177 1.00 0.00 C ATOM 14 OG SER A 542 17.701 15.988 6.169 1.00 0.00 O ATOM 0 H SER A 542 17.253 15.641 2.181 1.00 0.00 H new ATOM 0 HA SER A 542 19.092 15.082 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 542 16.185 15.612 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 542 16.860 14.195 5.609 1.00 0.00 H new ATOM 0 HG SER A 542 18.248 16.678 5.739 1.00 0.00 H new ATOM 20 N TYR A 543 18.887 12.704 3.690 1.00 0.00 N ATOM 21 CA TYR A 543 18.853 11.328 3.209 1.00 0.00 C ATOM 22 C TYR A 543 17.831 10.494 3.983 1.00 0.00 C ATOM 23 O TYR A 543 17.013 9.796 3.383 1.00 0.00 O ATOM 24 CB TYR A 543 20.240 10.688 3.316 1.00 0.00 C ATOM 25 CG TYR A 543 21.362 11.589 2.853 1.00 0.00 C ATOM 26 CD1 TYR A 543 22.072 12.367 3.757 1.00 0.00 C ATOM 27 CD2 TYR A 543 21.713 11.658 1.510 1.00 0.00 C ATOM 28 CE1 TYR A 543 23.100 13.192 3.337 1.00 0.00 C ATOM 29 CE2 TYR A 543 22.738 12.480 1.082 1.00 0.00 C ATOM 30 CZ TYR A 543 23.429 13.243 1.999 1.00 0.00 C ATOM 31 OH TYR A 543 24.451 14.062 1.576 1.00 0.00 O ATOM 0 H TYR A 543 19.718 12.941 4.232 1.00 0.00 H new ATOM 0 HA TYR A 543 18.551 11.351 2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 543 20.420 10.402 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 543 20.254 9.772 2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 543 21.818 12.328 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 543 21.176 11.059 0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 543 23.642 13.793 4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 543 22.996 12.524 0.034 1.00 0.00 H new ATOM 0 HH TYR A 543 24.555 13.980 0.605 1.00 0.00 H new ATOM 41 N PRO A 544 17.858 10.549 5.330 1.00 0.00 N ATOM 42 CA PRO A 544 16.923 9.787 6.162 1.00 0.00 C ATOM 43 C PRO A 544 15.529 10.405 6.184 1.00 0.00 C ATOM 44 O PRO A 544 15.334 11.506 6.700 1.00 0.00 O ATOM 45 CB PRO A 544 17.560 9.849 7.549 1.00 0.00 C ATOM 46 CG PRO A 544 18.310 11.135 7.558 1.00 0.00 C ATOM 47 CD PRO A 544 18.793 11.350 6.148 1.00 0.00 C ATOM 0 HA PRO A 544 16.775 8.773 5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 544 16.804 9.825 8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 544 18.224 9.001 7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 544 17.670 11.957 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 544 19.148 11.092 8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 544 18.765 12.404 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 544 19.823 11.015 6.022 1.00 0.00 H new ATOM 55 N THR A 545 14.562 9.687 5.622 1.00 0.00 N ATOM 56 CA THR A 545 13.184 10.163 5.577 1.00 0.00 C ATOM 57 C THR A 545 12.207 8.991 5.577 1.00 0.00 C ATOM 58 O THR A 545 12.615 7.831 5.608 1.00 0.00 O ATOM 59 CB THR A 545 12.961 11.027 4.334 1.00 0.00 C ATOM 60 OG1 THR A 545 13.815 10.618 3.280 1.00 0.00 O ATOM 61 CG2 THR A 545 13.206 12.500 4.578 1.00 0.00 C ATOM 0 H THR A 545 14.707 8.774 5.192 1.00 0.00 H new ATOM 0 HA THR A 545 13.003 10.766 6.467 1.00 0.00 H new ATOM 0 HB THR A 545 11.913 10.889 4.069 1.00 0.00 H new ATOM 0 HG1 THR A 545 13.657 11.181 2.494 1.00 0.00 H new ATOM 0 HG21 THR A 545 13.030 13.056 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 545 12.528 12.858 5.353 1.00 0.00 H new ATOM 0 HG23 THR A 545 14.236 12.649 4.901 1.00 0.00 H new ATOM 69 N ASP A 546 10.915 9.302 5.542 1.00 0.00 N ATOM 70 CA ASP A 546 9.883 8.272 5.538 1.00 0.00 C ATOM 71 C ASP A 546 9.085 8.302 4.239 1.00 0.00 C ATOM 72 O ASP A 546 8.695 9.368 3.762 1.00 0.00 O ATOM 73 CB ASP A 546 8.942 8.454 6.729 1.00 0.00 C ATOM 74 CG ASP A 546 9.635 8.205 8.055 1.00 0.00 C ATOM 75 OD1 ASP A 546 9.331 7.179 8.700 1.00 0.00 O ATOM 76 OD2 ASP A 546 10.481 9.035 8.449 1.00 0.00 O ATOM 0 H ASP A 546 10.559 10.257 5.516 1.00 0.00 H new ATOM 0 HA ASP A 546 10.377 7.304 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 546 8.537 9.466 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 546 8.098 7.772 6.629 1.00 0.00 H new ATOM 81 N CYS A 547 8.843 7.125 3.672 1.00 0.00 N ATOM 82 CA CYS A 547 8.088 7.017 2.430 1.00 0.00 C ATOM 83 C CYS A 547 6.587 7.060 2.704 1.00 0.00 C ATOM 84 O CYS A 547 6.099 6.462 3.662 1.00 0.00 O ATOM 85 CB CYS A 547 8.458 5.732 1.691 1.00 0.00 C ATOM 86 SG CYS A 547 9.749 5.945 0.443 1.00 0.00 S ATOM 0 H CYS A 547 9.159 6.233 4.053 1.00 0.00 H new ATOM 0 HA CYS A 547 8.345 7.868 1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 547 8.789 4.990 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 547 7.565 5.332 1.210 1.00 0.00 H new ATOM 0 HG CYS A 547 9.995 4.802 -0.126 1.00 0.00 H new ATOM 92 N SER A 548 5.867 7.783 1.856 1.00 0.00 N ATOM 93 CA SER A 548 4.422 7.927 1.995 1.00 0.00 C ATOM 94 C SER A 548 3.682 7.093 0.959 1.00 0.00 C ATOM 95 O SER A 548 4.189 6.856 -0.137 1.00 0.00 O ATOM 96 CB SER A 548 4.022 9.395 1.831 1.00 0.00 C ATOM 97 OG SER A 548 4.146 9.807 0.479 1.00 0.00 O ATOM 0 H SER A 548 6.263 8.282 1.059 1.00 0.00 H new ATOM 0 HA SER A 548 4.148 7.575 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 548 2.994 9.535 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 548 4.651 10.020 2.465 1.00 0.00 H new ATOM 0 HG SER A 548 4.874 9.310 0.051 1.00 0.00 H new ATOM 103 N ILE A 549 2.466 6.677 1.298 1.00 0.00 N ATOM 104 CA ILE A 549 1.648 5.903 0.375 1.00 0.00 C ATOM 105 C ILE A 549 1.320 6.750 -0.851 1.00 0.00 C ATOM 106 O ILE A 549 1.092 6.229 -1.942 1.00 0.00 O ATOM 107 CB ILE A 549 0.330 5.439 1.030 1.00 0.00 C ATOM 108 CG1 ILE A 549 0.606 4.730 2.360 1.00 0.00 C ATOM 109 CG2 ILE A 549 -0.446 4.531 0.084 1.00 0.00 C ATOM 110 CD1 ILE A 549 1.209 3.350 2.206 1.00 0.00 C ATOM 0 H ILE A 549 2.028 6.862 2.200 1.00 0.00 H new ATOM 0 HA ILE A 549 2.218 5.019 0.089 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.279 6.319 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 549 1.280 5.346 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.327 4.648 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -1.372 4.214 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.678 5.074 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.157 3.655 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 549 1.375 2.913 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.527 2.716 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 549 2.159 3.425 1.678 1.00 0.00 H new ATOM 122 N VAL A 550 1.303 8.068 -0.654 1.00 0.00 N ATOM 123 CA VAL A 550 1.008 9.009 -1.726 1.00 0.00 C ATOM 124 C VAL A 550 2.080 8.956 -2.811 1.00 0.00 C ATOM 125 O VAL A 550 1.771 8.832 -3.996 1.00 0.00 O ATOM 126 CB VAL A 550 0.908 10.447 -1.176 1.00 0.00 C ATOM 127 CG1 VAL A 550 0.716 11.455 -2.301 1.00 0.00 C ATOM 128 CG2 VAL A 550 -0.220 10.548 -0.160 1.00 0.00 C ATOM 0 H VAL A 550 1.492 8.508 0.247 1.00 0.00 H new ATOM 0 HA VAL A 550 0.050 8.723 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 550 1.847 10.685 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 550 0.649 12.459 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 550 1.563 11.403 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 550 -0.202 11.226 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 550 -0.278 11.568 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 550 -1.164 10.284 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 550 -0.027 9.864 0.667 1.00 0.00 H new ATOM 138 N SER A 551 3.341 9.035 -2.399 1.00 0.00 N ATOM 139 CA SER A 551 4.452 8.980 -3.341 1.00 0.00 C ATOM 140 C SER A 551 4.696 7.539 -3.766 1.00 0.00 C ATOM 141 O SER A 551 5.032 7.261 -4.918 1.00 0.00 O ATOM 142 CB SER A 551 5.717 9.567 -2.714 1.00 0.00 C ATOM 143 OG SER A 551 6.474 10.288 -3.669 1.00 0.00 O ATOM 0 H SER A 551 3.618 9.137 -1.423 1.00 0.00 H new ATOM 0 HA SER A 551 4.197 9.573 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.445 10.225 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.324 8.765 -2.295 1.00 0.00 H new ATOM 0 HG SER A 551 7.276 10.654 -3.242 1.00 0.00 H new ATOM 149 N PHE A 552 4.509 6.628 -2.819 1.00 0.00 N ATOM 150 CA PHE A 552 4.690 5.206 -3.066 1.00 0.00 C ATOM 151 C PHE A 552 3.707 4.722 -4.131 1.00 0.00 C ATOM 152 O PHE A 552 4.080 3.999 -5.054 1.00 0.00 O ATOM 153 CB PHE A 552 4.502 4.434 -1.753 1.00 0.00 C ATOM 154 CG PHE A 552 4.071 3.006 -1.923 1.00 0.00 C ATOM 155 CD1 PHE A 552 4.693 2.181 -2.845 1.00 0.00 C ATOM 156 CD2 PHE A 552 3.040 2.494 -1.157 1.00 0.00 C ATOM 157 CE1 PHE A 552 4.293 0.868 -2.997 1.00 0.00 C ATOM 158 CE2 PHE A 552 2.634 1.184 -1.304 1.00 0.00 C ATOM 159 CZ PHE A 552 3.261 0.368 -2.226 1.00 0.00 C ATOM 0 H PHE A 552 4.229 6.854 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 552 5.699 5.027 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 552 5.440 4.453 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 552 3.761 4.953 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 552 5.499 2.568 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 552 2.547 3.128 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 552 4.786 0.233 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 552 1.827 0.797 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 552 2.945 -0.658 -2.344 1.00 0.00 H new ATOM 169 N LEU A 553 2.449 5.134 -3.997 1.00 0.00 N ATOM 170 CA LEU A 553 1.413 4.749 -4.950 1.00 0.00 C ATOM 171 C LEU A 553 1.579 5.512 -6.258 1.00 0.00 C ATOM 172 O LEU A 553 1.392 4.956 -7.341 1.00 0.00 O ATOM 173 CB LEU A 553 0.024 5.009 -4.368 1.00 0.00 C ATOM 174 CG LEU A 553 -0.475 3.950 -3.384 1.00 0.00 C ATOM 175 CD1 LEU A 553 -1.848 4.325 -2.846 1.00 0.00 C ATOM 176 CD2 LEU A 553 -0.519 2.583 -4.051 1.00 0.00 C ATOM 0 H LEU A 553 2.123 5.733 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 553 1.516 3.682 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 553 0.033 5.975 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 553 -0.689 5.084 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 553 0.221 3.903 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 553 -2.187 3.560 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 553 -1.788 5.284 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 553 -2.555 4.400 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 553 -0.876 1.841 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 553 -1.193 2.617 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 553 0.481 2.310 -4.388 1.00 0.00 H new ATOM 188 N ALA A 554 1.934 6.790 -6.151 1.00 0.00 N ATOM 189 CA ALA A 554 2.129 7.630 -7.326 1.00 0.00 C ATOM 190 C ALA A 554 3.166 7.020 -8.260 1.00 0.00 C ATOM 191 O ALA A 554 3.028 7.079 -9.483 1.00 0.00 O ATOM 192 CB ALA A 554 2.547 9.032 -6.910 1.00 0.00 C ATOM 0 H ALA A 554 2.092 7.265 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 554 1.183 7.693 -7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 554 2.689 9.648 -7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 554 1.771 9.472 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 554 3.481 8.982 -6.350 1.00 0.00 H new ATOM 198 N ARG A 555 4.202 6.431 -7.676 1.00 0.00 N ATOM 199 CA ARG A 555 5.263 5.802 -8.451 1.00 0.00 C ATOM 200 C ARG A 555 4.729 4.600 -9.225 1.00 0.00 C ATOM 201 O ARG A 555 5.245 4.254 -10.288 1.00 0.00 O ATOM 202 CB ARG A 555 6.405 5.366 -7.533 1.00 0.00 C ATOM 203 CG ARG A 555 7.759 5.327 -8.223 1.00 0.00 C ATOM 204 CD ARG A 555 8.876 5.742 -7.280 1.00 0.00 C ATOM 205 NE ARG A 555 10.074 6.162 -8.002 1.00 0.00 N ATOM 206 CZ ARG A 555 11.139 6.707 -7.419 1.00 0.00 C ATOM 207 NH1 ARG A 555 11.159 6.899 -6.105 1.00 0.00 N ATOM 208 NH2 ARG A 555 12.187 7.061 -8.150 1.00 0.00 N ATOM 0 H ARG A 555 4.330 6.376 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 555 5.641 6.534 -9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 555 6.458 6.048 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 555 6.181 4.377 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 555 7.950 4.320 -8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 555 7.747 5.990 -9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 555 8.530 6.558 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 555 9.123 4.909 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 555 10.096 6.030 -9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 555 10.356 6.628 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 555 11.978 7.317 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 555 12.177 6.916 -9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 555 13.003 7.479 -7.703 1.00 0.00 H new ATOM 222 N LEU A 556 3.692 3.967 -8.684 1.00 0.00 N ATOM 223 CA LEU A 556 3.088 2.802 -9.323 1.00 0.00 C ATOM 224 C LEU A 556 1.852 3.195 -10.131 1.00 0.00 C ATOM 225 O LEU A 556 1.402 2.444 -10.996 1.00 0.00 O ATOM 226 CB LEU A 556 2.710 1.757 -8.272 1.00 0.00 C ATOM 227 CG LEU A 556 3.814 1.421 -7.269 1.00 0.00 C ATOM 228 CD1 LEU A 556 3.213 1.007 -5.934 1.00 0.00 C ATOM 229 CD2 LEU A 556 4.712 0.322 -7.816 1.00 0.00 C ATOM 0 H LEU A 556 3.253 4.241 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 556 3.823 2.376 -10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 556 1.838 2.114 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 556 2.413 0.841 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 556 4.420 2.313 -7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 556 4.013 0.771 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 556 2.611 1.824 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 556 2.584 0.128 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 556 5.493 0.095 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 556 4.119 -0.573 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 556 5.169 0.656 -8.748 1.00 0.00 H new ATOM 241 N GLY A 557 1.307 4.375 -9.846 1.00 0.00 N ATOM 242 CA GLY A 557 0.132 4.841 -10.558 1.00 0.00 C ATOM 243 C GLY A 557 -1.158 4.320 -9.954 1.00 0.00 C ATOM 244 O GLY A 557 -2.024 3.814 -10.667 1.00 0.00 O ATOM 0 H GLY A 557 1.659 5.016 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 557 0.117 5.931 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 557 0.194 4.527 -11.600 1.00 0.00 H new ATOM 248 N CYS A 558 -1.286 4.443 -8.637 1.00 0.00 N ATOM 249 CA CYS A 558 -2.482 3.979 -7.939 1.00 0.00 C ATOM 250 C CYS A 558 -2.771 4.844 -6.716 1.00 0.00 C ATOM 251 O CYS A 558 -3.084 4.332 -5.641 1.00 0.00 O ATOM 252 CB CYS A 558 -2.317 2.516 -7.521 1.00 0.00 C ATOM 253 SG CYS A 558 -2.325 1.349 -8.900 1.00 0.00 S ATOM 0 H CYS A 558 -0.578 4.859 -8.032 1.00 0.00 H new ATOM 0 HA CYS A 558 -3.327 4.061 -8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 558 -1.380 2.409 -6.974 1.00 0.00 H new ATOM 0 HB3 CYS A 558 -3.120 2.253 -6.832 1.00 0.00 H new ATOM 0 HG CYS A 558 -3.488 0.774 -8.975 1.00 0.00 H new ATOM 259 N SER A 559 -2.664 6.158 -6.887 1.00 0.00 N ATOM 260 CA SER A 559 -2.914 7.095 -5.797 1.00 0.00 C ATOM 261 C SER A 559 -4.354 6.993 -5.302 1.00 0.00 C ATOM 262 O SER A 559 -4.643 7.279 -4.141 1.00 0.00 O ATOM 263 CB SER A 559 -2.619 8.525 -6.250 1.00 0.00 C ATOM 264 OG SER A 559 -2.014 9.275 -5.211 1.00 0.00 O ATOM 0 H SER A 559 -2.406 6.598 -7.770 1.00 0.00 H new ATOM 0 HA SER A 559 -2.250 6.836 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 559 -1.962 8.506 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 559 -3.545 9.009 -6.561 1.00 0.00 H new ATOM 0 HG SER A 559 -1.834 10.185 -5.527 1.00 0.00 H new ATOM 270 N SER A 560 -5.255 6.585 -6.191 1.00 0.00 N ATOM 271 CA SER A 560 -6.665 6.449 -5.840 1.00 0.00 C ATOM 272 C SER A 560 -6.862 5.408 -4.741 1.00 0.00 C ATOM 273 O SER A 560 -7.860 5.435 -4.021 1.00 0.00 O ATOM 274 CB SER A 560 -7.482 6.065 -7.075 1.00 0.00 C ATOM 275 OG SER A 560 -6.934 6.638 -8.248 1.00 0.00 O ATOM 0 H SER A 560 -5.035 6.343 -7.157 1.00 0.00 H new ATOM 0 HA SER A 560 -7.012 7.411 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 560 -7.508 4.980 -7.175 1.00 0.00 H new ATOM 0 HB3 SER A 560 -8.512 6.398 -6.951 1.00 0.00 H new ATOM 0 HG SER A 560 -7.474 6.376 -9.023 1.00 0.00 H new ATOM 281 N CYS A 561 -5.909 4.488 -4.618 1.00 0.00 N ATOM 282 CA CYS A 561 -5.985 3.439 -3.608 1.00 0.00 C ATOM 283 C CYS A 561 -5.740 3.996 -2.207 1.00 0.00 C ATOM 284 O CYS A 561 -6.104 3.371 -1.211 1.00 0.00 O ATOM 285 CB CYS A 561 -4.970 2.335 -3.911 1.00 0.00 C ATOM 286 SG CYS A 561 -5.623 0.993 -4.932 1.00 0.00 S ATOM 0 H CYS A 561 -5.076 4.448 -5.205 1.00 0.00 H new ATOM 0 HA CYS A 561 -6.992 3.022 -3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -4.110 2.775 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.610 1.919 -2.970 1.00 0.00 H new ATOM 0 HG CYS A 561 -4.833 0.795 -5.946 1.00 0.00 H new ATOM 292 N LEU A 562 -5.115 5.169 -2.132 1.00 0.00 N ATOM 293 CA LEU A 562 -4.819 5.795 -0.846 1.00 0.00 C ATOM 294 C LEU A 562 -6.066 5.898 0.026 1.00 0.00 C ATOM 295 O LEU A 562 -5.996 5.723 1.242 1.00 0.00 O ATOM 296 CB LEU A 562 -4.215 7.185 -1.053 1.00 0.00 C ATOM 297 CG LEU A 562 -3.063 7.528 -0.105 1.00 0.00 C ATOM 298 CD1 LEU A 562 -1.728 7.372 -0.814 1.00 0.00 C ATOM 299 CD2 LEU A 562 -3.217 8.938 0.442 1.00 0.00 C ATOM 0 H LEU A 562 -4.805 5.703 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 562 -4.096 5.162 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 562 -3.858 7.262 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 562 -5.001 7.930 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 562 -3.092 6.833 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 562 -0.920 7.620 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 562 -1.614 6.342 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 562 -1.692 8.042 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 562 -2.388 9.160 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 562 -3.217 9.650 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 562 -4.157 9.016 0.989 1.00 0.00 H new ATOM 311 N ASP A 563 -7.206 6.181 -0.597 1.00 0.00 N ATOM 312 CA ASP A 563 -8.462 6.309 0.135 1.00 0.00 C ATOM 313 C ASP A 563 -8.712 5.086 1.009 1.00 0.00 C ATOM 314 O ASP A 563 -9.233 5.198 2.119 1.00 0.00 O ATOM 315 CB ASP A 563 -9.626 6.498 -0.840 1.00 0.00 C ATOM 316 CG ASP A 563 -9.828 7.951 -1.225 1.00 0.00 C ATOM 317 OD1 ASP A 563 -10.841 8.542 -0.797 1.00 0.00 O ATOM 318 OD2 ASP A 563 -8.972 8.497 -1.953 1.00 0.00 O ATOM 0 H ASP A 563 -7.286 6.326 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 563 -8.389 7.184 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 563 -9.443 5.909 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 563 -10.541 6.114 -0.388 1.00 0.00 H new ATOM 323 N TYR A 564 -8.331 3.918 0.504 1.00 0.00 N ATOM 324 CA TYR A 564 -8.506 2.677 1.236 1.00 0.00 C ATOM 325 C TYR A 564 -7.549 2.603 2.422 1.00 0.00 C ATOM 326 O TYR A 564 -7.883 2.046 3.467 1.00 0.00 O ATOM 327 CB TYR A 564 -8.274 1.491 0.304 1.00 0.00 C ATOM 328 CG TYR A 564 -9.055 1.570 -0.989 1.00 0.00 C ATOM 329 CD1 TYR A 564 -10.442 1.656 -0.979 1.00 0.00 C ATOM 330 CD2 TYR A 564 -8.407 1.557 -2.217 1.00 0.00 C ATOM 331 CE1 TYR A 564 -11.160 1.726 -2.158 1.00 0.00 C ATOM 332 CE2 TYR A 564 -9.118 1.629 -3.400 1.00 0.00 C ATOM 333 CZ TYR A 564 -10.494 1.712 -3.364 1.00 0.00 C ATOM 334 OH TYR A 564 -11.206 1.783 -4.541 1.00 0.00 O ATOM 0 H TYR A 564 -7.898 3.808 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 564 -9.526 2.644 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -7.211 1.425 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -8.544 0.573 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -10.967 1.668 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -7.330 1.490 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -12.238 1.791 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -8.599 1.620 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 564 -10.586 1.763 -5.300 1.00 0.00 H new ATOM 344 N PHE A 565 -6.356 3.170 2.254 1.00 0.00 N ATOM 345 CA PHE A 565 -5.354 3.165 3.314 1.00 0.00 C ATOM 346 C PHE A 565 -5.707 4.176 4.400 1.00 0.00 C ATOM 347 O PHE A 565 -5.696 3.858 5.590 1.00 0.00 O ATOM 348 CB PHE A 565 -3.974 3.482 2.736 1.00 0.00 C ATOM 349 CG PHE A 565 -3.398 2.365 1.914 1.00 0.00 C ATOM 350 CD1 PHE A 565 -3.146 1.129 2.483 1.00 0.00 C ATOM 351 CD2 PHE A 565 -3.113 2.551 0.572 1.00 0.00 C ATOM 352 CE1 PHE A 565 -2.620 0.098 1.729 1.00 0.00 C ATOM 353 CE2 PHE A 565 -2.586 1.524 -0.189 1.00 0.00 C ATOM 354 CZ PHE A 565 -2.339 0.295 0.392 1.00 0.00 C ATOM 0 H PHE A 565 -6.062 3.637 1.396 1.00 0.00 H new ATOM 0 HA PHE A 565 -5.336 2.171 3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 565 -4.044 4.378 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -3.290 3.711 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 565 -3.363 0.969 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -3.305 3.510 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -2.429 -0.862 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -2.368 1.682 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 565 -1.927 -0.510 -0.199 1.00 0.00 H new ATOM 364 N THR A 566 -6.024 5.394 3.979 1.00 0.00 N ATOM 365 CA THR A 566 -6.383 6.458 4.908 1.00 0.00 C ATOM 366 C THR A 566 -7.621 6.080 5.714 1.00 0.00 C ATOM 367 O THR A 566 -7.694 6.336 6.916 1.00 0.00 O ATOM 368 CB THR A 566 -6.631 7.762 4.151 1.00 0.00 C ATOM 369 OG1 THR A 566 -7.416 7.529 2.994 1.00 0.00 O ATOM 370 CG2 THR A 566 -5.357 8.449 3.709 1.00 0.00 C ATOM 0 H THR A 566 -6.040 5.670 2.997 1.00 0.00 H new ATOM 0 HA THR A 566 -5.552 6.600 5.598 1.00 0.00 H new ATOM 0 HB THR A 566 -7.149 8.411 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 566 -6.886 7.038 2.332 1.00 0.00 H new ATOM 0 HG21 THR A 566 -5.605 9.368 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 566 -4.750 8.687 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 566 -4.797 7.787 3.048 1.00 0.00 H new ATOM 378 N THR A 567 -8.593 5.471 5.043 1.00 0.00 N ATOM 379 CA THR A 567 -9.831 5.058 5.695 1.00 0.00 C ATOM 380 C THR A 567 -9.556 4.107 6.857 1.00 0.00 C ATOM 381 O THR A 567 -10.400 3.931 7.736 1.00 0.00 O ATOM 382 CB THR A 567 -10.761 4.385 4.685 1.00 0.00 C ATOM 383 OG1 THR A 567 -10.027 3.552 3.805 1.00 0.00 O ATOM 384 CG2 THR A 567 -11.541 5.371 3.840 1.00 0.00 C ATOM 0 H THR A 567 -8.548 5.252 4.048 1.00 0.00 H new ATOM 0 HA THR A 567 -10.313 5.952 6.092 1.00 0.00 H new ATOM 0 HB THR A 567 -11.465 3.806 5.282 1.00 0.00 H new ATOM 0 HG1 THR A 567 -9.762 4.065 3.013 1.00 0.00 H new ATOM 0 HG21 THR A 567 -12.181 4.828 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 567 -12.156 5.997 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 567 -10.848 5.999 3.280 1.00 0.00 H new ATOM 392 N GLN A 568 -8.376 3.490 6.860 1.00 0.00 N ATOM 393 CA GLN A 568 -8.009 2.556 7.919 1.00 0.00 C ATOM 394 C GLN A 568 -6.981 3.166 8.871 1.00 0.00 C ATOM 395 O GLN A 568 -6.740 2.638 9.958 1.00 0.00 O ATOM 396 CB GLN A 568 -7.452 1.273 7.306 1.00 0.00 C ATOM 397 CG GLN A 568 -7.244 0.152 8.312 1.00 0.00 C ATOM 398 CD GLN A 568 -8.360 -0.873 8.279 1.00 0.00 C ATOM 399 OE1 GLN A 568 -8.161 -2.009 7.847 1.00 0.00 O ATOM 400 NE2 GLN A 568 -9.543 -0.477 8.734 1.00 0.00 N ATOM 0 H GLN A 568 -7.661 3.620 6.144 1.00 0.00 H new ATOM 0 HA GLN A 568 -8.906 2.329 8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 568 -8.133 0.928 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 568 -6.501 1.496 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 568 -6.295 -0.343 8.108 1.00 0.00 H new ATOM 0 HG3 GLN A 568 -7.174 0.576 9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 568 -9.663 0.474 9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 568 -10.332 -1.124 8.735 1.00 0.00 H new ATOM 409 N GLY A 569 -6.380 4.280 8.465 1.00 0.00 N ATOM 410 CA GLY A 569 -5.393 4.937 9.306 1.00 0.00 C ATOM 411 C GLY A 569 -3.970 4.688 8.845 1.00 0.00 C ATOM 412 O GLY A 569 -3.039 4.704 9.650 1.00 0.00 O ATOM 0 H GLY A 569 -6.557 4.739 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 569 -5.585 6.010 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 569 -5.505 4.586 10.332 1.00 0.00 H new ATOM 416 N LEU A 570 -3.799 4.458 7.548 1.00 0.00 N ATOM 417 CA LEU A 570 -2.478 4.207 6.981 1.00 0.00 C ATOM 418 C LEU A 570 -2.130 5.270 5.943 1.00 0.00 C ATOM 419 O LEU A 570 -2.775 5.365 4.898 1.00 0.00 O ATOM 420 CB LEU A 570 -2.434 2.813 6.350 1.00 0.00 C ATOM 421 CG LEU A 570 -2.849 1.670 7.282 1.00 0.00 C ATOM 422 CD1 LEU A 570 -4.105 0.992 6.766 1.00 0.00 C ATOM 423 CD2 LEU A 570 -1.725 0.656 7.428 1.00 0.00 C ATOM 0 H LEU A 570 -4.559 4.440 6.868 1.00 0.00 H new ATOM 0 HA LEU A 570 -1.740 4.255 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -3.086 2.805 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -1.421 2.623 5.994 1.00 0.00 H new ATOM 0 HG LEU A 570 -3.059 2.093 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -4.385 0.183 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -4.916 1.719 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -3.917 0.587 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -2.043 -0.146 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -1.481 0.240 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -0.845 1.146 7.844 1.00 0.00 H new ATOM 435 N THR A 571 -1.116 6.079 6.241 1.00 0.00 N ATOM 436 CA THR A 571 -0.698 7.145 5.335 1.00 0.00 C ATOM 437 C THR A 571 0.728 6.933 4.833 1.00 0.00 C ATOM 438 O THR A 571 1.077 7.375 3.738 1.00 0.00 O ATOM 439 CB THR A 571 -0.805 8.501 6.034 1.00 0.00 C ATOM 440 OG1 THR A 571 -0.240 8.442 7.331 1.00 0.00 O ATOM 441 CG2 THR A 571 -2.230 8.992 6.175 1.00 0.00 C ATOM 0 H THR A 571 -0.570 6.017 7.100 1.00 0.00 H new ATOM 0 HA THR A 571 -1.364 7.125 4.472 1.00 0.00 H new ATOM 0 HB THR A 571 -0.260 9.198 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 571 -0.316 9.319 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 571 -2.234 9.958 6.679 1.00 0.00 H new ATOM 0 HG22 THR A 571 -2.678 9.096 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 571 -2.806 8.275 6.761 1.00 0.00 H new ATOM 449 N THR A 572 1.553 6.265 5.634 1.00 0.00 N ATOM 450 CA THR A 572 2.941 6.014 5.255 1.00 0.00 C ATOM 451 C THR A 572 3.121 4.605 4.709 1.00 0.00 C ATOM 452 O THR A 572 2.403 3.681 5.092 1.00 0.00 O ATOM 453 CB THR A 572 3.874 6.203 6.452 1.00 0.00 C ATOM 454 OG1 THR A 572 3.786 5.096 7.333 1.00 0.00 O ATOM 455 CG2 THR A 572 3.590 7.456 7.250 1.00 0.00 C ATOM 0 H THR A 572 1.287 5.889 6.544 1.00 0.00 H new ATOM 0 HA THR A 572 3.194 6.733 4.476 1.00 0.00 H new ATOM 0 HB THR A 572 4.873 6.291 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 572 4.391 5.233 8.092 1.00 0.00 H new ATOM 0 HG21 THR A 572 4.290 7.524 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 572 3.704 8.330 6.608 1.00 0.00 H new ATOM 0 HG23 THR A 572 2.571 7.419 7.635 1.00 0.00 H new ATOM 463 N ILE A 573 4.105 4.444 3.832 1.00 0.00 N ATOM 464 CA ILE A 573 4.404 3.143 3.257 1.00 0.00 C ATOM 465 C ILE A 573 4.923 2.215 4.344 1.00 0.00 C ATOM 466 O ILE A 573 4.624 1.020 4.363 1.00 0.00 O ATOM 467 CB ILE A 573 5.450 3.253 2.126 1.00 0.00 C ATOM 468 CG1 ILE A 573 5.438 1.997 1.256 1.00 0.00 C ATOM 469 CG2 ILE A 573 6.845 3.490 2.692 1.00 0.00 C ATOM 470 CD1 ILE A 573 6.488 2.016 0.167 1.00 0.00 C ATOM 0 H ILE A 573 4.708 5.199 3.505 1.00 0.00 H new ATOM 0 HA ILE A 573 3.485 2.741 2.830 1.00 0.00 H new ATOM 0 HB ILE A 573 5.183 4.109 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 573 5.596 1.123 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 573 4.454 1.888 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 573 7.562 3.563 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 573 6.852 4.417 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 573 7.120 2.659 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 573 6.426 1.096 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 573 6.318 2.871 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 573 7.478 2.095 0.617 1.00 0.00 H new ATOM 482 N TYR A 574 5.704 2.789 5.253 1.00 0.00 N ATOM 483 CA TYR A 574 6.277 2.038 6.361 1.00 0.00 C ATOM 484 C TYR A 574 5.179 1.421 7.219 1.00 0.00 C ATOM 485 O TYR A 574 5.335 0.319 7.747 1.00 0.00 O ATOM 486 CB TYR A 574 7.161 2.946 7.219 1.00 0.00 C ATOM 487 CG TYR A 574 8.558 3.119 6.673 1.00 0.00 C ATOM 488 CD1 TYR A 574 8.973 4.337 6.150 1.00 0.00 C ATOM 489 CD2 TYR A 574 9.462 2.064 6.678 1.00 0.00 C ATOM 490 CE1 TYR A 574 10.251 4.497 5.647 1.00 0.00 C ATOM 491 CE2 TYR A 574 10.741 2.218 6.179 1.00 0.00 C ATOM 492 CZ TYR A 574 11.130 3.436 5.664 1.00 0.00 C ATOM 493 OH TYR A 574 12.403 3.593 5.166 1.00 0.00 O ATOM 0 H TYR A 574 5.955 3.778 5.242 1.00 0.00 H new ATOM 0 HA TYR A 574 6.888 1.236 5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 574 6.689 3.925 7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.222 2.534 8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 574 8.287 5.171 6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.160 1.108 7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 574 10.559 5.450 5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 574 11.432 1.388 6.192 1.00 0.00 H new ATOM 0 HH TYR A 574 12.766 2.718 4.915 1.00 0.00 H new ATOM 503 N GLN A 575 4.067 2.138 7.353 1.00 0.00 N ATOM 504 CA GLN A 575 2.941 1.657 8.145 1.00 0.00 C ATOM 505 C GLN A 575 2.447 0.307 7.627 1.00 0.00 C ATOM 506 O GLN A 575 1.805 -0.449 8.356 1.00 0.00 O ATOM 507 CB GLN A 575 1.800 2.678 8.120 1.00 0.00 C ATOM 508 CG GLN A 575 1.599 3.399 9.442 1.00 0.00 C ATOM 509 CD GLN A 575 0.525 2.756 10.299 1.00 0.00 C ATOM 510 OE1 GLN A 575 -0.653 2.557 9.721 1.00 0.00 O flip ATOM 511 NE2 GLN A 575 0.753 2.442 11.467 1.00 0.00 N flip ATOM 0 H GLN A 575 3.922 3.052 6.924 1.00 0.00 H new ATOM 0 HA GLN A 575 3.280 1.528 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.999 3.414 7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 575 0.875 2.170 7.849 1.00 0.00 H new ATOM 0 HG2 GLN A 575 2.540 3.410 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.331 4.438 9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 575 1.674 2.614 11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 575 0.021 2.010 12.031 1.00 0.00 H new ATOM 520 N ILE A 576 2.750 0.010 6.366 1.00 0.00 N ATOM 521 CA ILE A 576 2.337 -1.249 5.759 1.00 0.00 C ATOM 522 C ILE A 576 3.536 -2.026 5.214 1.00 0.00 C ATOM 523 O ILE A 576 3.375 -2.960 4.431 1.00 0.00 O ATOM 524 CB ILE A 576 1.322 -1.017 4.620 1.00 0.00 C ATOM 525 CG1 ILE A 576 1.977 -0.283 3.449 1.00 0.00 C ATOM 526 CG2 ILE A 576 0.122 -0.236 5.132 1.00 0.00 C ATOM 527 CD1 ILE A 576 1.059 -0.121 2.258 1.00 0.00 C ATOM 0 H ILE A 576 3.279 0.624 5.747 1.00 0.00 H new ATOM 0 HA ILE A 576 1.862 -1.836 6.545 1.00 0.00 H new ATOM 0 HB ILE A 576 0.980 -1.989 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 576 2.305 0.701 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 576 2.869 -0.828 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 576 -0.585 -0.080 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 576 -0.363 -0.797 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 576 0.453 0.729 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 576 1.585 0.407 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 576 0.751 -1.103 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 576 0.178 0.450 2.552 1.00 0.00 H new ATOM 539 N GLU A 577 4.738 -1.634 5.633 1.00 0.00 N ATOM 540 CA GLU A 577 5.961 -2.294 5.184 1.00 0.00 C ATOM 541 C GLU A 577 5.866 -3.811 5.348 1.00 0.00 C ATOM 542 O GLU A 577 6.504 -4.564 4.613 1.00 0.00 O ATOM 543 CB GLU A 577 7.166 -1.763 5.961 1.00 0.00 C ATOM 544 CG GLU A 577 8.481 -1.889 5.208 1.00 0.00 C ATOM 545 CD GLU A 577 9.622 -2.342 6.098 1.00 0.00 C ATOM 546 OE1 GLU A 577 10.491 -1.505 6.420 1.00 0.00 O ATOM 547 OE2 GLU A 577 9.646 -3.533 6.473 1.00 0.00 O ATOM 0 H GLU A 577 4.890 -0.863 6.283 1.00 0.00 H new ATOM 0 HA GLU A 577 6.089 -2.072 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 577 6.996 -0.714 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 577 7.245 -2.302 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 577 8.360 -2.598 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 577 8.733 -0.927 4.762 1.00 0.00 H new ATOM 554 N HIS A 578 5.067 -4.251 6.315 1.00 0.00 N ATOM 555 CA HIS A 578 4.895 -5.677 6.572 1.00 0.00 C ATOM 556 C HIS A 578 3.439 -6.096 6.388 1.00 0.00 C ATOM 557 O HIS A 578 2.971 -7.038 7.028 1.00 0.00 O ATOM 558 CB HIS A 578 5.357 -6.020 7.988 1.00 0.00 C ATOM 559 CG HIS A 578 6.845 -6.010 8.152 1.00 0.00 C ATOM 560 ND1 HIS A 578 7.531 -6.968 8.869 1.00 0.00 N ATOM 561 CD2 HIS A 578 7.782 -5.149 7.687 1.00 0.00 C ATOM 562 CE1 HIS A 578 8.824 -6.698 8.838 1.00 0.00 C ATOM 563 NE2 HIS A 578 9.002 -5.601 8.126 1.00 0.00 N ATOM 0 H HIS A 578 4.529 -3.642 6.932 1.00 0.00 H new ATOM 0 HA HIS A 578 5.505 -6.223 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 578 4.918 -5.308 8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 578 4.977 -7.006 8.256 1.00 0.00 H new ATOM 0 HD2 HIS A 578 7.603 -4.271 7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 578 9.602 -7.276 9.314 1.00 0.00 H new ATOM 0 HE2 HIS A 578 9.901 -5.160 7.933 1.00 0.00 H new ATOM 572 N TYR A 579 2.729 -5.393 5.512 1.00 0.00 N ATOM 573 CA TYR A 579 1.327 -5.696 5.251 1.00 0.00 C ATOM 574 C TYR A 579 1.149 -6.957 4.418 1.00 0.00 C ATOM 575 O TYR A 579 1.903 -7.220 3.482 1.00 0.00 O ATOM 576 CB TYR A 579 0.637 -4.525 4.555 1.00 0.00 C ATOM 577 CG TYR A 579 -0.302 -3.764 5.456 1.00 0.00 C ATOM 578 CD1 TYR A 579 0.022 -3.508 6.781 1.00 0.00 C ATOM 579 CD2 TYR A 579 -1.528 -3.320 4.981 1.00 0.00 C ATOM 580 CE1 TYR A 579 -0.852 -2.829 7.608 1.00 0.00 C ATOM 581 CE2 TYR A 579 -2.404 -2.637 5.798 1.00 0.00 C ATOM 582 CZ TYR A 579 -2.064 -2.396 7.112 1.00 0.00 C ATOM 583 OH TYR A 579 -2.939 -1.722 7.932 1.00 0.00 O ATOM 0 H TYR A 579 3.100 -4.611 4.972 1.00 0.00 H new ATOM 0 HA TYR A 579 0.864 -5.868 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 579 1.395 -3.842 4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 579 0.081 -4.899 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 579 0.971 -3.844 7.171 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -1.801 -3.513 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -0.588 -2.638 8.638 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -3.351 -2.293 5.410 1.00 0.00 H new ATOM 0 HH TYR A 579 -2.634 -1.789 8.861 1.00 0.00 H new ATOM 593 N SER A 580 0.121 -7.717 4.769 1.00 0.00 N ATOM 594 CA SER A 580 -0.214 -8.945 4.069 1.00 0.00 C ATOM 595 C SER A 580 -1.368 -8.697 3.109 1.00 0.00 C ATOM 596 O SER A 580 -2.014 -7.652 3.165 1.00 0.00 O ATOM 597 CB SER A 580 -0.617 -10.025 5.071 1.00 0.00 C ATOM 598 OG SER A 580 -1.937 -9.801 5.549 1.00 0.00 O ATOM 0 H SER A 580 -0.502 -7.498 5.546 1.00 0.00 H new ATOM 0 HA SER A 580 0.660 -9.278 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 580 -0.557 -11.006 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 580 0.082 -10.031 5.908 1.00 0.00 H new ATOM 0 HG SER A 580 -1.917 -9.127 6.260 1.00 0.00 H new ATOM 604 N MET A 581 -1.652 -9.670 2.254 1.00 0.00 N ATOM 605 CA MET A 581 -2.762 -9.540 1.322 1.00 0.00 C ATOM 606 C MET A 581 -4.064 -9.405 2.106 1.00 0.00 C ATOM 607 O MET A 581 -5.022 -8.778 1.649 1.00 0.00 O ATOM 608 CB MET A 581 -2.827 -10.752 0.389 1.00 0.00 C ATOM 609 CG MET A 581 -3.938 -10.663 -0.645 1.00 0.00 C ATOM 610 SD MET A 581 -3.314 -10.540 -2.333 1.00 0.00 S ATOM 611 CE MET A 581 -1.996 -9.345 -2.122 1.00 0.00 C ATOM 0 H MET A 581 -1.136 -10.547 2.187 1.00 0.00 H new ATOM 0 HA MET A 581 -2.613 -8.650 0.710 1.00 0.00 H new ATOM 0 HB2 MET A 581 -1.871 -10.857 -0.124 1.00 0.00 H new ATOM 0 HB3 MET A 581 -2.969 -11.653 0.986 1.00 0.00 H new ATOM 0 HG2 MET A 581 -4.577 -11.542 -0.562 1.00 0.00 H new ATOM 0 HG3 MET A 581 -4.561 -9.795 -0.429 1.00 0.00 H new ATOM 0 HE1 MET A 581 -1.727 -8.925 -3.091 1.00 0.00 H new ATOM 0 HE2 MET A 581 -2.331 -8.546 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 581 -1.126 -9.836 -1.686 1.00 0.00 H new ATOM 621 N ASP A 582 -4.078 -9.989 3.306 1.00 0.00 N ATOM 622 CA ASP A 582 -5.243 -9.930 4.178 1.00 0.00 C ATOM 623 C ASP A 582 -5.452 -8.509 4.690 1.00 0.00 C ATOM 624 O ASP A 582 -6.549 -7.964 4.590 1.00 0.00 O ATOM 625 CB ASP A 582 -5.076 -10.894 5.355 1.00 0.00 C ATOM 626 CG ASP A 582 -6.348 -11.660 5.658 1.00 0.00 C ATOM 627 OD1 ASP A 582 -7.436 -11.051 5.600 1.00 0.00 O ATOM 628 OD2 ASP A 582 -6.255 -12.871 5.955 1.00 0.00 O ATOM 0 H ASP A 582 -3.290 -10.509 3.693 1.00 0.00 H new ATOM 0 HA ASP A 582 -6.120 -10.227 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -4.275 -11.599 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -4.773 -10.334 6.240 1.00 0.00 H new ATOM 633 N ASP A 583 -4.392 -7.908 5.231 1.00 0.00 N ATOM 634 CA ASP A 583 -4.477 -6.541 5.741 1.00 0.00 C ATOM 635 C ASP A 583 -4.857 -5.584 4.618 1.00 0.00 C ATOM 636 O ASP A 583 -5.780 -4.779 4.751 1.00 0.00 O ATOM 637 CB ASP A 583 -3.145 -6.106 6.360 1.00 0.00 C ATOM 638 CG ASP A 583 -2.670 -7.060 7.439 1.00 0.00 C ATOM 639 OD1 ASP A 583 -3.373 -7.199 8.461 1.00 0.00 O ATOM 640 OD2 ASP A 583 -1.593 -7.668 7.260 1.00 0.00 O ATOM 0 H ASP A 583 -3.474 -8.341 5.327 1.00 0.00 H new ATOM 0 HA ASP A 583 -5.245 -6.515 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 583 -2.388 -6.040 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 583 -3.253 -5.108 6.784 1.00 0.00 H new ATOM 645 N LEU A 584 -4.134 -5.687 3.506 1.00 0.00 N ATOM 646 CA LEU A 584 -4.380 -4.841 2.346 1.00 0.00 C ATOM 647 C LEU A 584 -5.827 -5.011 1.873 1.00 0.00 C ATOM 648 O LEU A 584 -6.477 -4.057 1.417 1.00 0.00 O ATOM 649 CB LEU A 584 -3.392 -5.205 1.233 1.00 0.00 C ATOM 650 CG LEU A 584 -2.713 -4.013 0.561 1.00 0.00 C ATOM 651 CD1 LEU A 584 -1.761 -4.472 -0.534 1.00 0.00 C ATOM 652 CD2 LEU A 584 -3.757 -3.061 0.010 1.00 0.00 C ATOM 0 H LEU A 584 -3.370 -6.352 3.386 1.00 0.00 H new ATOM 0 HA LEU A 584 -4.233 -3.795 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 584 -2.623 -5.856 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 584 -3.920 -5.780 0.472 1.00 0.00 H new ATOM 0 HG LEU A 584 -2.122 -3.484 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 584 -1.291 -3.603 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 584 -0.993 -5.114 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 584 -2.316 -5.028 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 584 -3.262 -2.215 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 584 -4.373 -3.581 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 584 -4.387 -2.701 0.824 1.00 0.00 H new ATOM 664 N ALA A 585 -6.333 -6.233 2.014 1.00 0.00 N ATOM 665 CA ALA A 585 -7.705 -6.538 1.641 1.00 0.00 C ATOM 666 C ALA A 585 -8.663 -5.979 2.687 1.00 0.00 C ATOM 667 O ALA A 585 -9.772 -5.553 2.369 1.00 0.00 O ATOM 668 CB ALA A 585 -7.895 -8.040 1.489 1.00 0.00 C ATOM 0 H ALA A 585 -5.810 -7.027 2.385 1.00 0.00 H new ATOM 0 HA ALA A 585 -7.922 -6.070 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 585 -8.928 -8.250 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 585 -7.226 -8.415 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 585 -7.668 -8.533 2.434 1.00 0.00 H new ATOM 674 N SER A 586 -8.210 -5.974 3.941 1.00 0.00 N ATOM 675 CA SER A 586 -9.009 -5.456 5.045 1.00 0.00 C ATOM 676 C SER A 586 -9.308 -3.982 4.823 1.00 0.00 C ATOM 677 O SER A 586 -10.406 -3.507 5.115 1.00 0.00 O ATOM 678 CB SER A 586 -8.276 -5.651 6.373 1.00 0.00 C ATOM 679 OG SER A 586 -8.701 -6.838 7.021 1.00 0.00 O ATOM 0 H SER A 586 -7.292 -6.324 4.215 1.00 0.00 H new ATOM 0 HA SER A 586 -9.949 -6.007 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 586 -7.201 -5.695 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 586 -8.458 -4.794 7.021 1.00 0.00 H new ATOM 0 HG SER A 586 -8.216 -6.941 7.867 1.00 0.00 H new ATOM 685 N LEU A 587 -8.328 -3.267 4.277 1.00 0.00 N ATOM 686 CA LEU A 587 -8.498 -1.846 3.986 1.00 0.00 C ATOM 687 C LEU A 587 -9.462 -1.663 2.814 1.00 0.00 C ATOM 688 O LEU A 587 -9.879 -0.545 2.511 1.00 0.00 O ATOM 689 CB LEU A 587 -7.159 -1.169 3.663 1.00 0.00 C ATOM 690 CG LEU A 587 -5.902 -1.908 4.129 1.00 0.00 C ATOM 691 CD1 LEU A 587 -4.658 -1.134 3.729 1.00 0.00 C ATOM 692 CD2 LEU A 587 -5.937 -2.126 5.635 1.00 0.00 C ATOM 0 H LEU A 587 -7.414 -3.645 4.028 1.00 0.00 H new ATOM 0 HA LEU A 587 -8.909 -1.373 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -7.096 -1.031 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -7.159 -0.176 4.112 1.00 0.00 H new ATOM 0 HG LEU A 587 -5.873 -2.884 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.771 -1.671 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -4.628 -1.029 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.681 -0.146 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -5.035 -2.653 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -5.988 -1.162 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -6.813 -2.720 5.896 1.00 0.00 H new ATOM 704 N LYS A 588 -9.813 -2.781 2.168 1.00 0.00 N ATOM 705 CA LYS A 588 -10.735 -2.789 1.036 1.00 0.00 C ATOM 706 C LYS A 588 -10.027 -2.507 -0.287 1.00 0.00 C ATOM 707 O LYS A 588 -10.657 -2.049 -1.239 1.00 0.00 O ATOM 708 CB LYS A 588 -11.880 -1.788 1.247 1.00 0.00 C ATOM 709 CG LYS A 588 -13.261 -2.388 1.036 1.00 0.00 C ATOM 710 CD LYS A 588 -13.520 -2.701 -0.428 1.00 0.00 C ATOM 711 CE LYS A 588 -13.314 -4.178 -0.728 1.00 0.00 C ATOM 712 NZ LYS A 588 -12.648 -4.392 -2.042 1.00 0.00 N ATOM 0 H LYS A 588 -9.463 -3.705 2.419 1.00 0.00 H new ATOM 0 HA LYS A 588 -11.152 -3.794 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 588 -11.818 -1.386 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 588 -11.749 -0.950 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 588 -13.355 -3.300 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 588 -14.019 -1.694 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 588 -14.539 -2.415 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 588 -12.853 -2.106 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 588 -12.712 -4.628 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 588 -14.278 -4.687 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 -12.299 -5.370 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 -13.330 -4.223 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 -11.849 -3.733 -2.138 1.00 0.00 H new ATOM 726 N ILE A 589 -8.724 -2.792 -0.368 1.00 0.00 N ATOM 727 CA ILE A 589 -8.005 -2.564 -1.615 1.00 0.00 C ATOM 728 C ILE A 589 -8.246 -3.726 -2.584 1.00 0.00 C ATOM 729 O ILE A 589 -8.111 -4.893 -2.212 1.00 0.00 O ATOM 730 CB ILE A 589 -6.493 -2.353 -1.379 1.00 0.00 C ATOM 731 CG1 ILE A 589 -6.253 -0.937 -0.851 1.00 0.00 C ATOM 732 CG2 ILE A 589 -5.701 -2.580 -2.662 1.00 0.00 C ATOM 733 CD1 ILE A 589 -5.754 -0.893 0.573 1.00 0.00 C ATOM 0 H ILE A 589 -8.162 -3.170 0.395 1.00 0.00 H new ATOM 0 HA ILE A 589 -8.392 -1.646 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 589 -6.150 -3.079 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 589 -5.529 -0.437 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 589 -7.183 -0.372 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 589 -4.640 -2.425 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 589 -5.860 -3.600 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 589 -6.036 -1.878 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 589 -5.608 0.144 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 589 -6.486 -1.363 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 589 -4.807 -1.429 0.643 1.00 0.00 H new ATOM 745 N PRO A 590 -8.628 -3.420 -3.838 1.00 0.00 N ATOM 746 CA PRO A 590 -8.913 -4.440 -4.857 1.00 0.00 C ATOM 747 C PRO A 590 -7.776 -5.438 -5.041 1.00 0.00 C ATOM 748 O PRO A 590 -6.614 -5.130 -4.777 1.00 0.00 O ATOM 749 CB PRO A 590 -9.121 -3.622 -6.133 1.00 0.00 C ATOM 750 CG PRO A 590 -9.563 -2.284 -5.651 1.00 0.00 C ATOM 751 CD PRO A 590 -8.830 -2.054 -4.359 1.00 0.00 C ATOM 0 HA PRO A 590 -9.771 -5.052 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -8.201 -3.551 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -9.871 -4.079 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -9.326 -1.508 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -10.642 -2.260 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -7.882 -1.540 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -9.412 -1.442 -3.670 1.00 0.00 H new ATOM 759 N GLU A 591 -8.126 -6.638 -5.497 1.00 0.00 N ATOM 760 CA GLU A 591 -7.147 -7.695 -5.722 1.00 0.00 C ATOM 761 C GLU A 591 -6.203 -7.342 -6.869 1.00 0.00 C ATOM 762 O GLU A 591 -5.059 -7.793 -6.905 1.00 0.00 O ATOM 763 CB GLU A 591 -7.856 -9.016 -6.024 1.00 0.00 C ATOM 764 CG GLU A 591 -7.055 -10.243 -5.620 1.00 0.00 C ATOM 765 CD GLU A 591 -7.207 -11.388 -6.604 1.00 0.00 C ATOM 766 OE1 GLU A 591 -7.997 -12.313 -6.320 1.00 0.00 O ATOM 767 OE2 GLU A 591 -6.538 -11.359 -7.658 1.00 0.00 O ATOM 0 H GLU A 591 -9.086 -6.902 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 591 -6.555 -7.801 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -8.814 -9.031 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -8.071 -9.068 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -6.002 -9.975 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -7.376 -10.573 -4.632 1.00 0.00 H new ATOM 774 N GLN A 592 -6.694 -6.541 -7.808 1.00 0.00 N ATOM 775 CA GLN A 592 -5.896 -6.136 -8.961 1.00 0.00 C ATOM 776 C GLN A 592 -4.847 -5.096 -8.576 1.00 0.00 C ATOM 777 O GLN A 592 -3.822 -4.963 -9.245 1.00 0.00 O ATOM 778 CB GLN A 592 -6.802 -5.578 -10.061 1.00 0.00 C ATOM 779 CG GLN A 592 -6.129 -5.504 -11.422 1.00 0.00 C ATOM 780 CD GLN A 592 -7.126 -5.494 -12.565 1.00 0.00 C ATOM 781 OE1 GLN A 592 -8.320 -5.716 -12.364 1.00 0.00 O ATOM 782 NE2 GLN A 592 -6.639 -5.235 -13.773 1.00 0.00 N ATOM 0 H GLN A 592 -7.640 -6.159 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 592 -5.377 -7.019 -9.333 1.00 0.00 H new ATOM 0 HB2 GLN A 592 -7.692 -6.202 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 592 -7.135 -4.581 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 592 -5.516 -4.604 -11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 592 -5.457 -6.355 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 592 -5.642 -5.057 -13.893 1.00 0.00 H new ATOM 0 HE22 GLN A 592 -7.262 -5.214 -14.580 1.00 0.00 H new ATOM 791 N PHE A 593 -5.107 -4.357 -7.502 1.00 0.00 N ATOM 792 CA PHE A 593 -4.178 -3.329 -7.044 1.00 0.00 C ATOM 793 C PHE A 593 -3.414 -3.785 -5.806 1.00 0.00 C ATOM 794 O PHE A 593 -2.238 -3.463 -5.641 1.00 0.00 O ATOM 795 CB PHE A 593 -4.927 -2.031 -6.743 1.00 0.00 C ATOM 796 CG PHE A 593 -5.601 -1.434 -7.945 1.00 0.00 C ATOM 797 CD1 PHE A 593 -4.856 -0.895 -8.980 1.00 0.00 C ATOM 798 CD2 PHE A 593 -6.982 -1.414 -8.036 1.00 0.00 C ATOM 799 CE1 PHE A 593 -5.477 -0.345 -10.086 1.00 0.00 C ATOM 800 CE2 PHE A 593 -7.610 -0.865 -9.138 1.00 0.00 C ATOM 801 CZ PHE A 593 -6.856 -0.330 -10.165 1.00 0.00 C ATOM 0 H PHE A 593 -5.949 -4.450 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 593 -3.459 -3.151 -7.843 1.00 0.00 H new ATOM 0 HB2 PHE A 593 -5.676 -2.223 -5.975 1.00 0.00 H new ATOM 0 HB3 PHE A 593 -4.227 -1.304 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 593 -3.778 -0.904 -8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 593 -7.576 -1.832 -7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 593 -4.885 0.072 -10.887 1.00 0.00 H new ATOM 0 HE2 PHE A 593 -8.688 -0.854 -9.196 1.00 0.00 H new ATOM 0 HZ PHE A 593 -7.344 0.099 -11.028 1.00 0.00 H new ATOM 811 N ARG A 594 -4.087 -4.531 -4.934 1.00 0.00 N ATOM 812 CA ARG A 594 -3.457 -5.019 -3.709 1.00 0.00 C ATOM 813 C ARG A 594 -2.177 -5.790 -4.022 1.00 0.00 C ATOM 814 O ARG A 594 -1.193 -5.696 -3.292 1.00 0.00 O ATOM 815 CB ARG A 594 -4.426 -5.906 -2.916 1.00 0.00 C ATOM 816 CG ARG A 594 -4.495 -7.343 -3.410 1.00 0.00 C ATOM 817 CD ARG A 594 -5.472 -8.173 -2.588 1.00 0.00 C ATOM 818 NE ARG A 594 -6.803 -7.572 -2.538 1.00 0.00 N ATOM 819 CZ ARG A 594 -7.865 -8.169 -2.002 1.00 0.00 C ATOM 820 NH1 ARG A 594 -7.759 -9.382 -1.474 1.00 0.00 N ATOM 821 NH2 ARG A 594 -9.038 -7.550 -1.995 1.00 0.00 N ATOM 0 H ARG A 594 -5.061 -4.810 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 594 -3.198 -4.153 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 594 -4.126 -5.907 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 594 -5.423 -5.469 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 594 -4.799 -7.354 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 594 -3.503 -7.793 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 594 -5.543 -9.174 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 594 -5.088 -8.285 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 594 -6.925 -6.641 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 594 -6.859 -9.863 -1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 594 -8.577 -9.833 -1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 594 -9.125 -6.618 -2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 594 -9.853 -8.006 -1.585 1.00 0.00 H new ATOM 835 N HIS A 595 -2.198 -6.550 -5.111 1.00 0.00 N ATOM 836 CA HIS A 595 -1.037 -7.333 -5.513 1.00 0.00 C ATOM 837 C HIS A 595 0.118 -6.418 -5.912 1.00 0.00 C ATOM 838 O HIS A 595 1.242 -6.581 -5.439 1.00 0.00 O ATOM 839 CB HIS A 595 -1.396 -8.264 -6.673 1.00 0.00 C ATOM 840 CG HIS A 595 -0.939 -9.675 -6.473 1.00 0.00 C ATOM 841 ND1 HIS A 595 -0.971 -10.472 -5.377 1.00 0.00 N flip ATOM 842 CD2 HIS A 595 -0.365 -10.429 -7.475 1.00 0.00 C flip ATOM 843 CE1 HIS A 595 -0.424 -11.678 -5.736 1.00 0.00 C flip ATOM 844 NE2 HIS A 595 -0.067 -11.629 -7.006 1.00 0.00 N flip ATOM 0 H HIS A 595 -3.004 -6.640 -5.729 1.00 0.00 H new ATOM 0 HA HIS A 595 -0.722 -7.938 -4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 595 -2.477 -8.257 -6.812 1.00 0.00 H new ATOM 0 HB3 HIS A 595 -0.954 -7.875 -7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 595 -0.187 -10.092 -8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 595 -0.305 -12.531 -5.084 1.00 0.00 H new ATOM 0 HE2 HIS A 595 0.365 -12.387 -7.535 1.00 0.00 H new ATOM 853 N ALA A 596 -0.169 -5.451 -6.779 1.00 0.00 N ATOM 854 CA ALA A 596 0.847 -4.508 -7.231 1.00 0.00 C ATOM 855 C ALA A 596 1.414 -3.726 -6.055 1.00 0.00 C ATOM 856 O ALA A 596 2.629 -3.668 -5.856 1.00 0.00 O ATOM 857 CB ALA A 596 0.266 -3.561 -8.271 1.00 0.00 C ATOM 0 H ALA A 596 -1.094 -5.301 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 596 1.659 -5.071 -7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 596 1.037 -2.863 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 596 -0.091 -4.135 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 596 -0.564 -3.006 -7.834 1.00 0.00 H new ATOM 863 N ILE A 597 0.521 -3.137 -5.271 1.00 0.00 N ATOM 864 CA ILE A 597 0.921 -2.367 -4.102 1.00 0.00 C ATOM 865 C ILE A 597 1.685 -3.252 -3.123 1.00 0.00 C ATOM 866 O ILE A 597 2.761 -2.887 -2.650 1.00 0.00 O ATOM 867 CB ILE A 597 -0.299 -1.742 -3.393 1.00 0.00 C ATOM 868 CG1 ILE A 597 -1.106 -0.893 -4.377 1.00 0.00 C ATOM 869 CG2 ILE A 597 0.142 -0.902 -2.203 1.00 0.00 C ATOM 870 CD1 ILE A 597 -2.427 -0.410 -3.819 1.00 0.00 C ATOM 0 H ILE A 597 -0.487 -3.178 -5.424 1.00 0.00 H new ATOM 0 HA ILE A 597 1.568 -1.559 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 597 -0.934 -2.548 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 597 -0.509 -0.030 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 597 -1.293 -1.476 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 597 -0.734 -0.471 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 597 0.678 -1.531 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 597 0.798 -0.102 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 597 -2.944 0.185 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 597 -3.043 -1.268 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 597 -2.247 0.201 -2.934 1.00 0.00 H new ATOM 882 N TRP A 598 1.128 -4.426 -2.837 1.00 0.00 N ATOM 883 CA TRP A 598 1.763 -5.375 -1.927 1.00 0.00 C ATOM 884 C TRP A 598 3.174 -5.700 -2.402 1.00 0.00 C ATOM 885 O TRP A 598 4.108 -5.776 -1.606 1.00 0.00 O ATOM 886 CB TRP A 598 0.938 -6.661 -1.831 1.00 0.00 C ATOM 887 CG TRP A 598 1.463 -7.628 -0.813 1.00 0.00 C ATOM 888 CD1 TRP A 598 1.638 -7.399 0.521 1.00 0.00 C ATOM 889 CD2 TRP A 598 1.881 -8.978 -1.049 1.00 0.00 C ATOM 890 NE1 TRP A 598 2.140 -8.524 1.129 1.00 0.00 N ATOM 891 CE2 TRP A 598 2.298 -9.507 0.188 1.00 0.00 C ATOM 892 CE3 TRP A 598 1.942 -9.791 -2.183 1.00 0.00 C ATOM 893 CZ2 TRP A 598 2.769 -10.810 0.320 1.00 0.00 C ATOM 894 CZ3 TRP A 598 2.410 -11.086 -2.051 1.00 0.00 C ATOM 895 CH2 TRP A 598 2.819 -11.584 -0.807 1.00 0.00 C ATOM 0 H TRP A 598 0.238 -4.743 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 598 1.817 -4.918 -0.939 1.00 0.00 H new ATOM 0 HB2 TRP A 598 -0.092 -6.406 -1.582 1.00 0.00 H new ATOM 0 HB3 TRP A 598 0.919 -7.146 -2.807 1.00 0.00 H new ATOM 0 HD1 TRP A 598 1.415 -6.470 1.025 1.00 0.00 H new ATOM 0 HE1 TRP A 598 2.360 -8.613 2.121 1.00 0.00 H new ATOM 0 HE3 TRP A 598 1.629 -9.415 -3.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 3.084 -11.196 1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.461 -11.724 -2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 598 3.181 -12.599 -0.736 1.00 0.00 H new ATOM 906 N LYS A 599 3.320 -5.882 -3.712 1.00 0.00 N ATOM 907 CA LYS A 599 4.617 -6.188 -4.300 1.00 0.00 C ATOM 908 C LYS A 599 5.611 -5.075 -3.991 1.00 0.00 C ATOM 909 O LYS A 599 6.747 -5.334 -3.594 1.00 0.00 O ATOM 910 CB LYS A 599 4.485 -6.373 -5.815 1.00 0.00 C ATOM 911 CG LYS A 599 5.146 -7.641 -6.331 1.00 0.00 C ATOM 912 CD LYS A 599 4.424 -8.886 -5.841 1.00 0.00 C ATOM 913 CE LYS A 599 5.290 -10.126 -5.990 1.00 0.00 C ATOM 914 NZ LYS A 599 6.345 -10.196 -4.942 1.00 0.00 N ATOM 0 H LYS A 599 2.555 -5.822 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 599 4.985 -7.118 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 599 3.428 -6.390 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 599 4.926 -5.512 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 599 5.155 -7.630 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 599 6.185 -7.670 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 599 4.146 -8.759 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 599 3.499 -9.017 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 599 4.663 -11.016 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 599 5.756 -10.127 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 6.814 -11.123 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 7.047 -9.446 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 5.912 -10.068 -4.005 1.00 0.00 H new ATOM 928 N GLY A 600 5.170 -3.834 -4.168 1.00 0.00 N ATOM 929 CA GLY A 600 6.027 -2.697 -3.893 1.00 0.00 C ATOM 930 C GLY A 600 6.483 -2.664 -2.448 1.00 0.00 C ATOM 931 O GLY A 600 7.635 -2.341 -2.159 1.00 0.00 O ATOM 0 H GLY A 600 4.234 -3.596 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 600 6.898 -2.734 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 600 5.492 -1.776 -4.125 1.00 0.00 H new ATOM 935 N ILE A 601 5.574 -3.004 -1.537 1.00 0.00 N ATOM 936 CA ILE A 601 5.887 -3.018 -0.113 1.00 0.00 C ATOM 937 C ILE A 601 6.917 -4.097 0.207 1.00 0.00 C ATOM 938 O ILE A 601 7.802 -3.898 1.039 1.00 0.00 O ATOM 939 CB ILE A 601 4.623 -3.263 0.739 1.00 0.00 C ATOM 940 CG1 ILE A 601 3.533 -2.249 0.384 1.00 0.00 C ATOM 941 CG2 ILE A 601 4.958 -3.195 2.224 1.00 0.00 C ATOM 942 CD1 ILE A 601 3.884 -0.826 0.761 1.00 0.00 C ATOM 0 H ILE A 601 4.616 -3.273 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 601 6.297 -2.038 0.133 1.00 0.00 H new ATOM 0 HB ILE A 601 4.246 -4.262 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 601 3.341 -2.295 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 601 2.608 -2.532 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 601 4.055 -3.370 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 601 5.700 -3.956 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 601 5.359 -2.210 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 601 3.066 -0.163 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 601 4.048 -0.764 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 601 4.792 -0.524 0.238 1.00 0.00 H new ATOM 954 N LEU A 602 6.791 -5.240 -0.457 1.00 0.00 N ATOM 955 CA LEU A 602 7.705 -6.355 -0.245 1.00 0.00 C ATOM 956 C LEU A 602 9.111 -6.010 -0.723 1.00 0.00 C ATOM 957 O LEU A 602 10.098 -6.333 -0.061 1.00 0.00 O ATOM 958 CB LEU A 602 7.196 -7.598 -0.977 1.00 0.00 C ATOM 959 CG LEU A 602 6.115 -8.387 -0.237 1.00 0.00 C ATOM 960 CD1 LEU A 602 5.403 -9.337 -1.188 1.00 0.00 C ATOM 961 CD2 LEU A 602 6.721 -9.153 0.930 1.00 0.00 C ATOM 0 H LEU A 602 6.063 -5.419 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 602 7.748 -6.559 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 602 6.803 -7.294 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 602 8.041 -8.260 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 602 5.382 -7.683 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 602 4.637 -9.890 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 602 4.937 -8.766 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 602 6.124 -10.036 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 602 5.938 -9.709 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 602 7.474 -9.847 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 602 7.185 -8.452 1.624 1.00 0.00 H new ATOM 973 N ASP A 603 9.197 -5.357 -1.877 1.00 0.00 N ATOM 974 CA ASP A 603 10.485 -4.971 -2.443 1.00 0.00 C ATOM 975 C ASP A 603 11.264 -4.083 -1.478 1.00 0.00 C ATOM 976 O ASP A 603 12.484 -4.198 -1.362 1.00 0.00 O ATOM 977 CB ASP A 603 10.284 -4.244 -3.774 1.00 0.00 C ATOM 978 CG ASP A 603 11.416 -4.500 -4.750 1.00 0.00 C ATOM 979 OD1 ASP A 603 11.975 -3.519 -5.281 1.00 0.00 O ATOM 980 OD2 ASP A 603 11.743 -5.683 -4.981 1.00 0.00 O ATOM 0 H ASP A 603 8.391 -5.084 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 603 11.062 -5.879 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 603 9.343 -4.564 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 603 10.201 -3.173 -3.591 1.00 0.00 H new ATOM 985 N HIS A 604 10.553 -3.199 -0.788 1.00 0.00 N ATOM 986 CA HIS A 604 11.180 -2.292 0.167 1.00 0.00 C ATOM 987 C HIS A 604 11.794 -3.066 1.330 1.00 0.00 C ATOM 988 O HIS A 604 12.824 -2.670 1.877 1.00 0.00 O ATOM 989 CB HIS A 604 10.158 -1.284 0.692 1.00 0.00 C ATOM 990 CG HIS A 604 10.778 -0.074 1.320 1.00 0.00 C ATOM 991 ND1 HIS A 604 11.677 0.738 0.661 1.00 0.00 N ATOM 992 CD2 HIS A 604 10.626 0.461 2.554 1.00 0.00 C ATOM 993 CE1 HIS A 604 12.052 1.719 1.464 1.00 0.00 C ATOM 994 NE2 HIS A 604 11.427 1.574 2.617 1.00 0.00 N ATOM 0 H HIS A 604 9.542 -3.091 -0.872 1.00 0.00 H new ATOM 0 HA HIS A 604 11.976 -1.755 -0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 604 9.516 -0.968 -0.130 1.00 0.00 H new ATOM 0 HB3 HIS A 604 9.518 -1.776 1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 604 9.992 0.083 3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 604 12.751 2.505 1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 604 11.523 2.189 3.425 1.00 0.00 H new ATOM 1003 N ARG A 605 11.156 -4.170 1.704 1.00 0.00 N ATOM 1004 CA ARG A 605 11.639 -4.998 2.802 1.00 0.00 C ATOM 1005 C ARG A 605 13.017 -5.571 2.485 1.00 0.00 C ATOM 1006 O ARG A 605 13.905 -5.586 3.337 1.00 0.00 O ATOM 1007 CB ARG A 605 10.652 -6.135 3.083 1.00 0.00 C ATOM 1008 CG ARG A 605 9.775 -5.891 4.300 1.00 0.00 C ATOM 1009 CD ARG A 605 8.696 -6.955 4.430 1.00 0.00 C ATOM 1010 NE ARG A 605 9.260 -8.300 4.501 1.00 0.00 N ATOM 1011 CZ ARG A 605 8.560 -9.410 4.279 1.00 0.00 C ATOM 1012 NH1 ARG A 605 7.271 -9.339 3.971 1.00 0.00 N ATOM 1013 NH2 ARG A 605 9.150 -10.595 4.364 1.00 0.00 N ATOM 0 H ARG A 605 10.303 -4.512 1.262 1.00 0.00 H new ATOM 0 HA ARG A 605 11.722 -4.371 3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 605 10.016 -6.277 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 605 11.208 -7.061 3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 605 10.391 -5.884 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 605 9.311 -4.908 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 605 8.103 -6.763 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 605 8.019 -6.890 3.578 1.00 0.00 H new ATOM 0 HE ARG A 605 10.248 -8.394 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 605 6.812 -8.431 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 605 6.739 -10.193 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 605 10.141 -10.656 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 605 8.613 -11.445 4.194 1.00 0.00 H new ATOM 1027 N GLN A 606 13.188 -6.043 1.255 1.00 0.00 N ATOM 1028 CA GLN A 606 14.458 -6.618 0.826 1.00 0.00 C ATOM 1029 C GLN A 606 15.479 -5.526 0.522 1.00 0.00 C ATOM 1030 O GLN A 606 16.683 -5.732 0.670 1.00 0.00 O ATOM 1031 CB GLN A 606 14.252 -7.497 -0.410 1.00 0.00 C ATOM 1032 CG GLN A 606 13.362 -8.703 -0.156 1.00 0.00 C ATOM 1033 CD GLN A 606 13.953 -9.990 -0.701 1.00 0.00 C ATOM 1034 OE1 GLN A 606 14.583 -10.756 0.028 1.00 0.00 O ATOM 1035 NE2 GLN A 606 13.754 -10.232 -1.992 1.00 0.00 N ATOM 0 H GLN A 606 12.463 -6.039 0.537 1.00 0.00 H new ATOM 0 HA GLN A 606 14.842 -7.231 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 606 13.815 -6.894 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 606 15.223 -7.841 -0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 606 13.197 -8.809 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 606 12.387 -8.533 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 606 13.226 -9.569 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 606 14.130 -11.080 -2.416 1.00 0.00 H new ATOM 1044 N LEU A 607 14.990 -4.366 0.097 1.00 0.00 N ATOM 1045 CA LEU A 607 15.860 -3.242 -0.228 1.00 0.00 C ATOM 1046 C LEU A 607 16.703 -2.837 0.979 1.00 0.00 C ATOM 1047 O LEU A 607 17.846 -2.404 0.833 1.00 0.00 O ATOM 1048 CB LEU A 607 15.032 -2.049 -0.709 1.00 0.00 C ATOM 1049 CG LEU A 607 14.599 -2.110 -2.174 1.00 0.00 C ATOM 1050 CD1 LEU A 607 13.582 -1.020 -2.476 1.00 0.00 C ATOM 1051 CD2 LEU A 607 15.805 -1.986 -3.092 1.00 0.00 C ATOM 0 H LEU A 607 13.995 -4.180 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 607 16.531 -3.556 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 607 14.141 -1.970 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 607 15.611 -1.139 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 607 14.129 -3.077 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 607 13.286 -1.079 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 607 12.705 -1.155 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 607 14.025 -0.044 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 607 15.478 -2.031 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 607 16.304 -1.034 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 607 16.499 -2.803 -2.894 1.00 0.00 H new ATOM 1063 N HIS A 608 16.130 -2.981 2.169 1.00 0.00 N ATOM 1064 CA HIS A 608 16.828 -2.631 3.401 1.00 0.00 C ATOM 1065 C HIS A 608 17.635 -3.815 3.924 1.00 0.00 C ATOM 1066 O HIS A 608 18.686 -3.638 4.541 1.00 0.00 O ATOM 1067 CB HIS A 608 15.830 -2.170 4.465 1.00 0.00 C ATOM 1068 CG HIS A 608 15.287 -0.796 4.221 1.00 0.00 C ATOM 1069 ND1 HIS A 608 15.968 0.169 3.510 1.00 0.00 N ATOM 1070 CD2 HIS A 608 14.118 -0.225 4.601 1.00 0.00 C ATOM 1071 CE1 HIS A 608 15.243 1.273 3.463 1.00 0.00 C ATOM 1072 NE2 HIS A 608 14.116 1.060 4.116 1.00 0.00 N ATOM 0 H HIS A 608 15.184 -3.338 2.307 1.00 0.00 H new ATOM 0 HA HIS A 608 17.515 -1.814 3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 608 15.002 -2.877 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 608 16.316 -2.192 5.441 1.00 0.00 H new ATOM 0 HD1 HIS A 608 16.888 0.050 3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 608 13.334 -0.693 5.178 1.00 0.00 H new ATOM 0 HE1 HIS A 608 15.525 2.193 2.973 1.00 0.00 H new ATOM 1081 N GLU A 609 17.139 -5.021 3.671 1.00 0.00 N ATOM 1082 CA GLU A 609 17.814 -6.235 4.118 1.00 0.00 C ATOM 1083 C GLU A 609 18.291 -7.061 2.927 1.00 0.00 C ATOM 1084 O GLU A 609 17.693 -8.082 2.587 1.00 0.00 O ATOM 1085 CB GLU A 609 16.879 -7.071 4.993 1.00 0.00 C ATOM 1086 CG GLU A 609 16.184 -6.269 6.081 1.00 0.00 C ATOM 1087 CD GLU A 609 15.191 -7.098 6.873 1.00 0.00 C ATOM 1088 OE1 GLU A 609 14.226 -6.515 7.409 1.00 0.00 O ATOM 1089 OE2 GLU A 609 15.380 -8.330 6.955 1.00 0.00 O ATOM 0 H GLU A 609 16.272 -5.185 3.159 1.00 0.00 H new ATOM 0 HA GLU A 609 18.684 -5.942 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 609 16.125 -7.539 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 609 17.451 -7.876 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 609 16.932 -5.859 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 609 15.666 -5.423 5.629 1.00 0.00 H new ATOM 1096 N PHE A 610 19.372 -6.612 2.297 1.00 0.00 N ATOM 1097 CA PHE A 610 19.931 -7.311 1.144 1.00 0.00 C ATOM 1098 C PHE A 610 21.321 -7.852 1.458 1.00 0.00 C ATOM 1099 O PHE A 610 21.680 -8.952 1.039 1.00 0.00 O ATOM 1100 CB PHE A 610 19.995 -6.375 -0.064 1.00 0.00 C ATOM 1101 CG PHE A 610 20.838 -5.153 0.166 1.00 0.00 C ATOM 1102 CD1 PHE A 610 20.334 -4.069 0.869 1.00 0.00 C ATOM 1103 CD2 PHE A 610 22.134 -5.087 -0.320 1.00 0.00 C ATOM 1104 CE1 PHE A 610 21.107 -2.944 1.081 1.00 0.00 C ATOM 1105 CE2 PHE A 610 22.912 -3.964 -0.110 1.00 0.00 C ATOM 1106 CZ PHE A 610 22.398 -2.891 0.591 1.00 0.00 C ATOM 0 H PHE A 610 19.878 -5.768 2.565 1.00 0.00 H new ATOM 0 HA PHE A 610 19.279 -8.152 0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 610 20.391 -6.924 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 610 18.984 -6.064 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 610 19.326 -4.105 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 610 22.541 -5.923 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 610 20.703 -2.106 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 610 23.921 -3.926 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 610 23.004 -2.012 0.756 1.00 0.00 H new ATOM 1116 N SER A 611 22.101 -7.072 2.201 1.00 0.00 N ATOM 1117 CA SER A 611 23.453 -7.472 2.571 1.00 0.00 C ATOM 1118 C SER A 611 24.022 -6.543 3.638 1.00 0.00 C ATOM 1119 O SER A 611 25.216 -6.241 3.640 1.00 0.00 O ATOM 1120 CB SER A 611 24.363 -7.476 1.341 1.00 0.00 C ATOM 1121 OG SER A 611 24.265 -8.702 0.638 1.00 0.00 O ATOM 0 H SER A 611 21.819 -6.159 2.558 1.00 0.00 H new ATOM 0 HA SER A 611 23.407 -8.481 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 611 24.091 -6.652 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 611 25.396 -7.311 1.648 1.00 0.00 H new ATOM 0 HG SER A 611 23.324 -8.894 0.444 1.00 0.00 H new ATOM 1127 N SER A 612 23.160 -6.090 4.542 1.00 0.00 N ATOM 1128 CA SER A 612 23.576 -5.193 5.614 1.00 0.00 C ATOM 1129 C SER A 612 22.939 -5.600 6.941 1.00 0.00 C ATOM 1130 O SER A 612 21.830 -5.173 7.263 1.00 0.00 O ATOM 1131 CB SER A 612 23.196 -3.750 5.275 1.00 0.00 C ATOM 1132 OG SER A 612 24.025 -3.233 4.248 1.00 0.00 O ATOM 0 H SER A 612 22.169 -6.329 4.554 1.00 0.00 H new ATOM 0 HA SER A 612 24.659 -5.263 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 612 22.153 -3.709 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 612 23.284 -3.128 6.166 1.00 0.00 H new ATOM 0 HG SER A 612 23.761 -2.311 4.048 1.00 0.00 H new ATOM 1138 N PRO A 613 23.635 -6.435 7.734 1.00 0.00 N ATOM 1139 CA PRO A 613 23.129 -6.896 9.031 1.00 0.00 C ATOM 1140 C PRO A 613 22.643 -5.746 9.907 1.00 0.00 C ATOM 1141 O PRO A 613 22.786 -4.577 9.549 1.00 0.00 O ATOM 1142 CB PRO A 613 24.346 -7.573 9.664 1.00 0.00 C ATOM 1143 CG PRO A 613 25.172 -8.020 8.508 1.00 0.00 C ATOM 1144 CD PRO A 613 24.967 -6.994 7.429 1.00 0.00 C ATOM 0 HA PRO A 613 22.266 -7.553 8.922 1.00 0.00 H new ATOM 0 HB2 PRO A 613 24.897 -6.881 10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 613 24.050 -8.416 10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 613 26.224 -8.090 8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 613 24.865 -9.009 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 613 25.740 -6.226 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 613 24.996 -7.444 6.437 1.00 0.00 H new ATOM 1152 N SER A 614 22.069 -6.086 11.056 1.00 0.00 N ATOM 1153 CA SER A 614 21.560 -5.082 11.983 1.00 0.00 C ATOM 1154 C SER A 614 20.464 -4.246 11.330 1.00 0.00 C ATOM 1155 O SER A 614 20.263 -4.305 10.118 1.00 0.00 O ATOM 1156 CB SER A 614 22.696 -4.174 12.457 1.00 0.00 C ATOM 1157 OG SER A 614 22.236 -3.242 13.421 1.00 0.00 O ATOM 0 H SER A 614 21.945 -7.049 11.368 1.00 0.00 H new ATOM 0 HA SER A 614 21.134 -5.599 12.843 1.00 0.00 H new ATOM 0 HB2 SER A 614 23.495 -4.779 12.884 1.00 0.00 H new ATOM 0 HB3 SER A 614 23.120 -3.642 11.605 1.00 0.00 H new ATOM 0 HG SER A 614 22.981 -2.675 13.709 1.00 0.00 H new ATOM 1163 N HIS A 615 19.756 -3.469 12.144 1.00 0.00 N ATOM 1164 CA HIS A 615 18.680 -2.621 11.645 1.00 0.00 C ATOM 1165 C HIS A 615 18.778 -1.215 12.231 1.00 0.00 C ATOM 1166 O HIS A 615 19.781 -0.859 12.850 1.00 0.00 O ATOM 1167 CB HIS A 615 17.320 -3.238 11.982 1.00 0.00 C ATOM 1168 CG HIS A 615 16.466 -3.494 10.779 1.00 0.00 C ATOM 1169 ND1 HIS A 615 16.257 -2.557 9.790 1.00 0.00 N ATOM 1170 CD2 HIS A 615 15.766 -4.592 10.407 1.00 0.00 C ATOM 1171 CE1 HIS A 615 15.465 -3.066 8.863 1.00 0.00 C ATOM 1172 NE2 HIS A 615 15.154 -4.300 9.213 1.00 0.00 N ATOM 0 H HIS A 615 19.908 -3.409 13.151 1.00 0.00 H new ATOM 0 HA HIS A 615 18.779 -2.548 10.562 1.00 0.00 H new ATOM 0 HB2 HIS A 615 17.477 -4.177 12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 615 16.787 -2.573 12.662 1.00 0.00 H new ATOM 0 HD2 HIS A 615 15.701 -5.524 10.949 1.00 0.00 H new ATOM 0 HE1 HIS A 615 15.129 -2.559 7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 615 14.556 -4.934 8.683 1.00 0.00 H new ATOM 1181 N LEU A 616 17.732 -0.421 12.029 1.00 0.00 N ATOM 1182 CA LEU A 616 17.701 0.946 12.536 1.00 0.00 C ATOM 1183 C LEU A 616 16.849 1.040 13.798 1.00 0.00 C ATOM 1184 O LEU A 616 17.149 1.817 14.705 1.00 0.00 O ATOM 1185 CB LEU A 616 17.158 1.896 11.467 1.00 0.00 C ATOM 1186 CG LEU A 616 17.185 3.378 11.845 1.00 0.00 C ATOM 1187 CD1 LEU A 616 18.510 4.008 11.442 1.00 0.00 C ATOM 1188 CD2 LEU A 616 16.023 4.114 11.196 1.00 0.00 C ATOM 0 H LEU A 616 16.895 -0.700 11.518 1.00 0.00 H new ATOM 0 HA LEU A 616 18.721 1.237 12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 616 17.736 1.759 10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 616 16.130 1.613 11.239 1.00 0.00 H new ATOM 0 HG LEU A 616 17.082 3.460 12.927 1.00 0.00 H new ATOM 0 HD11 LEU A 616 18.511 5.062 11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 616 19.326 3.498 11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 616 18.644 3.916 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 616 16.058 5.167 11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 616 16.095 4.024 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 616 15.082 3.679 11.535 1.00 0.00 H new ATOM 1200 N LEU A 617 15.785 0.245 13.848 1.00 0.00 N ATOM 1201 CA LEU A 617 14.888 0.242 14.998 1.00 0.00 C ATOM 1202 C LEU A 617 14.261 -1.135 15.196 1.00 0.00 C ATOM 1203 O LEU A 617 13.409 -1.557 14.413 1.00 0.00 O ATOM 1204 CB LEU A 617 13.792 1.294 14.822 1.00 0.00 C ATOM 1205 CG LEU A 617 13.048 1.236 13.486 1.00 0.00 C ATOM 1206 CD1 LEU A 617 11.581 1.591 13.674 1.00 0.00 C ATOM 1207 CD2 LEU A 617 13.698 2.167 12.475 1.00 0.00 C ATOM 0 H LEU A 617 15.523 -0.405 13.107 1.00 0.00 H new ATOM 0 HA LEU A 617 15.475 0.485 15.884 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.068 1.181 15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.238 2.283 14.930 1.00 0.00 H new ATOM 0 HG LEU A 617 13.107 0.217 13.104 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.069 1.544 12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.121 0.884 14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.500 2.600 14.079 1.00 0.00 H new ATOM 0 HD21 LEU A 617 13.157 2.114 11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 617 13.670 3.189 12.852 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.734 1.866 12.317 1.00 0.00 H new ATOM 1219 N ARG A 618 14.685 -1.829 16.246 1.00 0.00 N ATOM 1220 CA ARG A 618 14.163 -3.156 16.546 1.00 0.00 C ATOM 1221 C ARG A 618 12.773 -3.065 17.170 1.00 0.00 C ATOM 1222 O ARG A 618 12.634 -2.813 18.367 1.00 0.00 O ATOM 1223 CB ARG A 618 15.111 -3.903 17.487 1.00 0.00 C ATOM 1224 CG ARG A 618 15.300 -3.221 18.833 1.00 0.00 C ATOM 1225 CD ARG A 618 16.585 -3.671 19.509 1.00 0.00 C ATOM 1226 NE ARG A 618 17.737 -2.885 19.074 1.00 0.00 N ATOM 1227 CZ ARG A 618 19.001 -3.275 19.225 1.00 0.00 C ATOM 1228 NH1 ARG A 618 19.279 -4.439 19.799 1.00 0.00 N ATOM 1229 NH2 ARG A 618 19.989 -2.499 18.801 1.00 0.00 N ATOM 0 H ARG A 618 15.389 -1.494 16.904 1.00 0.00 H new ATOM 0 HA ARG A 618 14.086 -3.708 15.609 1.00 0.00 H new ATOM 0 HB2 ARG A 618 14.727 -4.910 17.651 1.00 0.00 H new ATOM 0 HB3 ARG A 618 16.082 -4.007 17.003 1.00 0.00 H new ATOM 0 HG2 ARG A 618 15.319 -2.140 18.695 1.00 0.00 H new ATOM 0 HG3 ARG A 618 14.450 -3.445 19.478 1.00 0.00 H new ATOM 0 HD2 ARG A 618 16.475 -3.585 20.590 1.00 0.00 H new ATOM 0 HD3 ARG A 618 16.761 -4.724 19.289 1.00 0.00 H new ATOM 0 HE ARG A 618 17.563 -1.984 18.628 1.00 0.00 H new ATOM 0 HH11 ARG A 618 18.523 -5.040 20.127 1.00 0.00 H new ATOM 0 HH12 ARG A 618 20.249 -4.733 19.912 1.00 0.00 H new ATOM 0 HH21 ARG A 618 19.781 -1.604 18.359 1.00 0.00 H new ATOM 0 HH22 ARG A 618 20.957 -2.798 18.917 1.00 0.00 H new ATOM 1243 N THR A 619 11.748 -3.269 16.350 1.00 0.00 N ATOM 1244 CA THR A 619 10.368 -3.207 16.820 1.00 0.00 C ATOM 1245 C THR A 619 9.532 -4.326 16.199 1.00 0.00 C ATOM 1246 O THR A 619 9.145 -4.243 15.033 1.00 0.00 O ATOM 1247 CB THR A 619 9.754 -1.848 16.481 1.00 0.00 C ATOM 1248 OG1 THR A 619 9.725 -1.647 15.079 1.00 0.00 O ATOM 1249 CG2 THR A 619 10.499 -0.684 17.097 1.00 0.00 C ATOM 0 H THR A 619 11.846 -3.479 15.357 1.00 0.00 H new ATOM 0 HA THR A 619 10.371 -3.337 17.902 1.00 0.00 H new ATOM 0 HB THR A 619 8.747 -1.874 16.897 1.00 0.00 H new ATOM 0 HG1 THR A 619 9.547 -2.500 14.630 1.00 0.00 H new ATOM 0 HG21 THR A 619 10.011 0.250 16.817 1.00 0.00 H new ATOM 0 HG22 THR A 619 10.496 -0.784 18.182 1.00 0.00 H new ATOM 0 HG23 THR A 619 11.527 -0.678 16.736 1.00 0.00 H new ATOM 1257 N PRO A 620 9.236 -5.389 16.970 1.00 0.00 N ATOM 1258 CA PRO A 620 8.439 -6.519 16.478 1.00 0.00 C ATOM 1259 C PRO A 620 6.989 -6.131 16.214 1.00 0.00 C ATOM 1260 O PRO A 620 6.369 -5.427 17.012 1.00 0.00 O ATOM 1261 CB PRO A 620 8.523 -7.540 17.616 1.00 0.00 C ATOM 1262 CG PRO A 620 8.809 -6.732 18.833 1.00 0.00 C ATOM 1263 CD PRO A 620 9.652 -5.575 18.373 1.00 0.00 C ATOM 0 HA PRO A 620 8.811 -6.896 15.525 1.00 0.00 H new ATOM 0 HB2 PRO A 620 7.590 -8.094 17.720 1.00 0.00 H new ATOM 0 HB3 PRO A 620 9.310 -8.272 17.433 1.00 0.00 H new ATOM 0 HG2 PRO A 620 7.886 -6.383 19.295 1.00 0.00 H new ATOM 0 HG3 PRO A 620 9.335 -7.325 19.581 1.00 0.00 H new ATOM 0 HD2 PRO A 620 9.468 -4.681 18.969 1.00 0.00 H new ATOM 0 HD3 PRO A 620 10.716 -5.797 18.451 1.00 0.00 H new ATOM 1271 N SER A 621 6.454 -6.594 15.090 1.00 0.00 N ATOM 1272 CA SER A 621 5.075 -6.296 14.719 1.00 0.00 C ATOM 1273 C SER A 621 4.873 -4.795 14.539 1.00 0.00 C ATOM 1274 O SER A 621 3.786 -4.272 14.783 1.00 0.00 O ATOM 1275 CB SER A 621 4.112 -6.829 15.781 1.00 0.00 C ATOM 1276 OG SER A 621 2.811 -7.008 15.247 1.00 0.00 O ATOM 0 H SER A 621 6.954 -7.177 14.419 1.00 0.00 H new ATOM 0 HA SER A 621 4.866 -6.789 13.770 1.00 0.00 H new ATOM 0 HB2 SER A 621 4.483 -7.778 16.169 1.00 0.00 H new ATOM 0 HB3 SER A 621 4.071 -6.135 16.621 1.00 0.00 H new ATOM 0 HG SER A 621 2.516 -6.177 14.820 1.00 0.00 H new ATOM 1282 N SER A 622 5.927 -4.107 14.111 1.00 0.00 N ATOM 1283 CA SER A 622 5.865 -2.666 13.899 1.00 0.00 C ATOM 1284 C SER A 622 5.503 -1.939 15.191 1.00 0.00 C ATOM 1285 O SER A 622 5.274 -0.713 15.134 1.00 0.00 O ATOM 1286 CB SER A 622 4.843 -2.333 12.810 1.00 0.00 C ATOM 1287 OG SER A 622 4.728 -3.394 11.877 1.00 0.00 O ATOM 1288 OXT SER A 622 5.452 -2.604 16.247 1.00 0.00 O ATOM 0 H SER A 622 6.834 -4.525 13.904 1.00 0.00 H new ATOM 0 HA SER A 622 6.851 -2.329 13.579 1.00 0.00 H new ATOM 0 HB2 SER A 622 3.872 -2.138 13.265 1.00 0.00 H new ATOM 0 HB3 SER A 622 5.142 -1.421 12.293 1.00 0.00 H new ATOM 0 HG SER A 622 4.068 -3.158 11.192 1.00 0.00 H new TER 1294 SER A 622