USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 465 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 598 ASN : amide:sc= -0.112 X(o=-0.22,f=-0.039) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -167:sc= -0.11 (180deg=0) USER MOD Set 2.1: A 593 LYS NZ :NH3+ -142:sc= 0.117 (180deg=-0.802) USER MOD Set 2.2: A 595 TYR OH : rot 30:sc= 0.939 USER MOD Set 3.1: A 583 ASN : amide:sc= 0.266 X(o=1.5,f=1.2) USER MOD Set 3.2: A 586 THR OG1 : rot -92:sc= 1.19 USER MOD Set 4.1: A 575 CYS SG : rot 154:sc= -4.99! USER MOD Set 4.2: A 578 CYS SG : rot -111:sc= -3.36! USER MOD Set 4.3: A 596 CYS SG : rot 93:sc= -6.56! USER MOD Set 4.4: A 599 CYS SG : rot -156:sc= 0.686 USER MOD Set 5.1: A 549 CYS SG : rot -48:sc= -0.0503 USER MOD Set 5.2: A 552 CYS SG : rot 123:sc= 0.986 USER MOD Set 5.3: A 569 HIS : no HE2:sc= -4.09 K(o=-4.6,f=-8!) USER MOD Set 5.4: A 572 HIS : no HD1:sc= -1.45! K(o=-4.6!,f=-10) USER MOD Single : A 547 SER OG : rot 170:sc= -0.302 USER MOD Single : A 550 SER OG : rot -60:sc= -0.267 USER MOD Single : A 553 GLN : amide:sc= -5.26! K(o=-5.3!,f=-2.4) USER MOD Single : A 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 THR OG1 : rot 49:sc= 0.426 USER MOD Single : A 560 CYS SG : rot 22:sc= 0.979 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -170:sc= -0.129 (180deg=-0.451) USER MOD Single : A 566 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.166) USER MOD Single : A 567 LYS NZ :NH3+ -108:sc= 0.32 (180deg=-1.08!) USER MOD Single : A 580 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0288) USER MOD Single : A 581 GLN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -126:sc= -0.322 (180deg=-4.48!) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.28) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 597 GLN : amide:sc= -4.51! C(o=-4.5!,f=-2.4!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0388 USER MOD ----------------------------------------------------------------- ATOM 109 N SER A 547 47.084 0.155 -6.489 1.00 0.00 N ATOM 110 CA SER A 547 47.639 0.389 -5.124 1.00 0.00 C ATOM 111 C SER A 547 48.360 1.738 -5.099 1.00 0.00 C ATOM 112 O SER A 547 49.292 1.962 -5.844 1.00 0.00 O ATOM 113 CB SER A 547 48.629 -0.726 -4.781 1.00 0.00 C ATOM 114 OG SER A 547 48.067 -1.561 -3.777 1.00 0.00 O ATOM 0 HA SER A 547 46.830 0.393 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 547 48.857 -1.312 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.569 -0.299 -4.431 1.00 0.00 H new ATOM 0 HG SER A 547 48.621 -2.362 -3.670 1.00 0.00 H new ATOM 120 N LEU A 548 47.937 2.638 -4.251 1.00 0.00 N ATOM 121 CA LEU A 548 48.601 3.971 -4.189 1.00 0.00 C ATOM 122 C LEU A 548 49.976 3.832 -3.539 1.00 0.00 C ATOM 123 O LEU A 548 50.139 3.157 -2.542 1.00 0.00 O ATOM 124 CB LEU A 548 47.749 4.939 -3.360 1.00 0.00 C ATOM 125 CG LEU A 548 46.706 5.618 -4.255 1.00 0.00 C ATOM 126 CD1 LEU A 548 45.869 4.559 -4.977 1.00 0.00 C ATOM 127 CD2 LEU A 548 45.788 6.492 -3.395 1.00 0.00 C ATOM 0 H LEU A 548 47.162 2.507 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 548 48.712 4.359 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.252 4.400 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 548 48.387 5.691 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 548 47.216 6.236 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.130 5.049 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 548 46.520 3.938 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 548 45.360 3.935 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 548 45.046 6.975 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 548 45.283 5.871 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 548 46.381 7.252 -2.887 1.00 0.00 H new ATOM 139 N CYS A 549 50.962 4.486 -4.088 1.00 0.00 N ATOM 140 CA CYS A 549 52.325 4.420 -3.503 1.00 0.00 C ATOM 141 C CYS A 549 52.353 5.330 -2.290 1.00 0.00 C ATOM 142 O CYS A 549 52.279 6.536 -2.416 1.00 0.00 O ATOM 143 CB CYS A 549 53.350 4.900 -4.536 1.00 0.00 C ATOM 144 SG CYS A 549 54.710 5.790 -3.719 1.00 0.00 S ATOM 0 H CYS A 549 50.879 5.067 -4.923 1.00 0.00 H new ATOM 0 HA CYS A 549 52.571 3.398 -3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 549 53.745 4.047 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 549 52.865 5.552 -5.262 1.00 0.00 H new ATOM 0 HG CYS A 549 54.221 6.654 -2.880 1.00 0.00 H new ATOM 149 N SER A 550 52.445 4.771 -1.118 1.00 0.00 N ATOM 150 CA SER A 550 52.471 5.626 0.095 1.00 0.00 C ATOM 151 C SER A 550 53.536 6.698 -0.113 1.00 0.00 C ATOM 152 O SER A 550 54.714 6.416 -0.214 1.00 0.00 O ATOM 153 CB SER A 550 52.795 4.788 1.326 1.00 0.00 C ATOM 154 OG SER A 550 51.795 3.791 1.491 1.00 0.00 O ATOM 0 H SER A 550 52.503 3.767 -0.949 1.00 0.00 H new ATOM 0 HA SER A 550 51.496 6.088 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 550 53.774 4.323 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 550 52.841 5.423 2.211 1.00 0.00 H new ATOM 0 HG SER A 550 50.922 4.220 1.608 1.00 0.00 H new ATOM 160 N GLY A 551 53.111 7.918 -0.232 1.00 0.00 N ATOM 161 CA GLY A 551 54.059 9.036 -0.496 1.00 0.00 C ATOM 162 C GLY A 551 53.624 9.707 -1.799 1.00 0.00 C ATOM 163 O GLY A 551 53.803 10.893 -1.995 1.00 0.00 O ATOM 0 H GLY A 551 52.133 8.196 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 551 54.047 9.751 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 551 55.080 8.662 -0.579 1.00 0.00 H new ATOM 167 N CYS A 552 53.037 8.939 -2.686 1.00 0.00 N ATOM 168 CA CYS A 552 52.560 9.492 -3.986 1.00 0.00 C ATOM 169 C CYS A 552 51.036 9.590 -3.962 1.00 0.00 C ATOM 170 O CYS A 552 50.450 10.421 -4.628 1.00 0.00 O ATOM 171 CB CYS A 552 52.965 8.548 -5.118 1.00 0.00 C ATOM 172 SG CYS A 552 54.546 9.074 -5.810 1.00 0.00 S ATOM 0 H CYS A 552 52.868 7.941 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 552 53.000 10.477 -4.143 1.00 0.00 H new ATOM 0 HB2 CYS A 552 53.042 7.527 -4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 552 52.200 8.546 -5.894 1.00 0.00 H new ATOM 0 HG CYS A 552 55.402 8.100 -5.725 1.00 0.00 H new ATOM 177 N GLN A 553 50.392 8.729 -3.213 1.00 0.00 N ATOM 178 CA GLN A 553 48.901 8.741 -3.150 1.00 0.00 C ATOM 179 C GLN A 553 48.343 8.528 -4.560 1.00 0.00 C ATOM 180 O GLN A 553 47.263 8.978 -4.892 1.00 0.00 O ATOM 181 CB GLN A 553 48.410 10.077 -2.582 1.00 0.00 C ATOM 182 CG GLN A 553 48.806 10.181 -1.105 1.00 0.00 C ATOM 183 CD GLN A 553 50.286 10.557 -0.985 1.00 0.00 C ATOM 184 OE1 GLN A 553 50.762 11.437 -1.675 1.00 0.00 O ATOM 185 NE2 GLN A 553 51.038 9.923 -0.130 1.00 0.00 N ATOM 0 H GLN A 553 50.840 8.014 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 553 48.554 7.941 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 553 48.842 10.904 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 553 47.328 10.152 -2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 553 48.190 10.930 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 553 48.622 9.231 -0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 553 50.640 9.184 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 553 52.025 10.166 -0.041 1.00 0.00 H new ATOM 194 N LYS A 554 49.080 7.828 -5.383 1.00 0.00 N ATOM 195 CA LYS A 554 48.627 7.550 -6.775 1.00 0.00 C ATOM 196 C LYS A 554 48.880 6.070 -7.068 1.00 0.00 C ATOM 197 O LYS A 554 49.886 5.524 -6.656 1.00 0.00 O ATOM 198 CB LYS A 554 49.425 8.412 -7.761 1.00 0.00 C ATOM 199 CG LYS A 554 49.062 9.889 -7.571 1.00 0.00 C ATOM 200 CD LYS A 554 47.603 10.119 -7.975 1.00 0.00 C ATOM 201 CE LYS A 554 47.347 11.618 -8.151 1.00 0.00 C ATOM 202 NZ LYS A 554 47.328 12.279 -6.815 1.00 0.00 N ATOM 0 H LYS A 554 49.989 7.432 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 554 47.568 7.784 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 554 50.494 8.267 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 554 49.210 8.104 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 554 49.211 10.179 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 554 49.719 10.515 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 554 47.385 9.591 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 554 46.936 9.713 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.123 12.059 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 554 46.397 11.778 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 47.154 13.297 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 46.572 11.864 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 48.244 12.137 -6.344 1.00 0.00 H new ATOM 216 N PRO A 555 47.973 5.419 -7.757 1.00 0.00 N ATOM 217 CA PRO A 555 48.125 3.974 -8.071 1.00 0.00 C ATOM 218 C PRO A 555 49.514 3.598 -8.579 1.00 0.00 C ATOM 219 O PRO A 555 50.234 4.404 -9.137 1.00 0.00 O ATOM 220 CB PRO A 555 47.075 3.759 -9.152 1.00 0.00 C ATOM 221 CG PRO A 555 46.108 4.948 -9.120 1.00 0.00 C ATOM 222 CD PRO A 555 46.738 6.067 -8.277 1.00 0.00 C ATOM 0 HA PRO A 555 47.999 3.352 -7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 555 47.548 3.679 -10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 555 46.537 2.826 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 555 45.910 5.302 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 555 45.151 4.646 -8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 555 46.964 6.949 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 555 46.078 6.389 -7.471 1.00 0.00 H new ATOM 230 N ILE A 556 49.882 2.368 -8.377 1.00 0.00 N ATOM 231 CA ILE A 556 51.213 1.886 -8.822 1.00 0.00 C ATOM 232 C ILE A 556 51.024 0.966 -10.033 1.00 0.00 C ATOM 233 O ILE A 556 50.724 -0.205 -9.898 1.00 0.00 O ATOM 234 CB ILE A 556 51.858 1.122 -7.663 1.00 0.00 C ATOM 235 CG1 ILE A 556 52.176 2.106 -6.525 1.00 0.00 C ATOM 236 CG2 ILE A 556 53.148 0.449 -8.140 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.258 1.357 -5.191 1.00 0.00 C ATOM 0 H ILE A 556 49.306 1.665 -7.914 1.00 0.00 H new ATOM 0 HA ILE A 556 51.856 2.718 -9.109 1.00 0.00 H new ATOM 0 HB ILE A 556 51.171 0.356 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 556 53.120 2.613 -6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 556 51.406 2.875 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 556 53.603 -0.093 -7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 556 52.918 -0.247 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 556 53.842 1.208 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 556 52.484 2.062 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 556 51.304 0.871 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.045 0.605 -5.244 1.00 0.00 H new ATOM 249 N THR A 557 51.180 1.498 -11.218 1.00 0.00 N ATOM 250 CA THR A 557 50.993 0.671 -12.447 1.00 0.00 C ATOM 251 C THR A 557 52.276 -0.111 -12.752 1.00 0.00 C ATOM 252 O THR A 557 53.121 0.328 -13.508 1.00 0.00 O ATOM 253 CB THR A 557 50.649 1.586 -13.626 1.00 0.00 C ATOM 254 OG1 THR A 557 51.597 2.642 -13.698 1.00 0.00 O ATOM 255 CG2 THR A 557 49.247 2.169 -13.431 1.00 0.00 C ATOM 0 H THR A 557 51.430 2.472 -11.387 1.00 0.00 H new ATOM 0 HA THR A 557 50.179 -0.036 -12.286 1.00 0.00 H new ATOM 0 HB THR A 557 50.675 1.010 -14.551 1.00 0.00 H new ATOM 0 HG1 THR A 557 52.503 2.272 -13.644 1.00 0.00 H new ATOM 0 HG21 THR A 557 49.004 2.820 -14.271 1.00 0.00 H new ATOM 0 HG22 THR A 557 48.520 1.359 -13.378 1.00 0.00 H new ATOM 0 HG23 THR A 557 49.218 2.744 -12.506 1.00 0.00 H new ATOM 263 N GLY A 558 52.419 -1.267 -12.161 1.00 0.00 N ATOM 264 CA GLY A 558 53.634 -2.100 -12.394 1.00 0.00 C ATOM 265 C GLY A 558 54.025 -2.765 -11.078 1.00 0.00 C ATOM 266 O GLY A 558 53.187 -3.017 -10.233 1.00 0.00 O ATOM 0 H GLY A 558 51.738 -1.674 -11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 558 53.436 -2.854 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 558 54.452 -1.482 -12.764 1.00 0.00 H new ATOM 270 N ARG A 559 55.288 -3.037 -10.883 1.00 0.00 N ATOM 271 CA ARG A 559 55.719 -3.667 -9.603 1.00 0.00 C ATOM 272 C ARG A 559 55.287 -2.761 -8.452 1.00 0.00 C ATOM 273 O ARG A 559 55.084 -1.577 -8.634 1.00 0.00 O ATOM 274 CB ARG A 559 57.243 -3.824 -9.598 1.00 0.00 C ATOM 275 CG ARG A 559 57.620 -5.224 -10.095 1.00 0.00 C ATOM 276 CD ARG A 559 57.984 -6.114 -8.902 1.00 0.00 C ATOM 277 NE ARG A 559 59.126 -7.018 -9.263 1.00 0.00 N ATOM 278 CZ ARG A 559 59.133 -7.699 -10.383 1.00 0.00 C ATOM 279 NH1 ARG A 559 60.182 -8.405 -10.702 1.00 0.00 N ATOM 280 NH2 ARG A 559 58.090 -7.707 -11.166 1.00 0.00 N ATOM 0 H ARG A 559 56.036 -2.851 -11.551 1.00 0.00 H new ATOM 0 HA ARG A 559 55.264 -4.651 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 559 57.698 -3.066 -10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 559 57.631 -3.668 -8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 559 56.788 -5.661 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 559 58.462 -5.161 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 559 58.256 -5.496 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 559 57.120 -6.708 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 559 59.915 -7.105 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 559 60.991 -8.425 -10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 559 60.193 -8.937 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 559 57.256 -7.179 -10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 559 58.109 -8.241 -12.035 1.00 0.00 H new ATOM 294 N CYS A 560 55.132 -3.299 -7.275 1.00 0.00 N ATOM 295 CA CYS A 560 54.700 -2.448 -6.133 1.00 0.00 C ATOM 296 C CYS A 560 55.138 -3.071 -4.812 1.00 0.00 C ATOM 297 O CYS A 560 54.992 -4.257 -4.588 1.00 0.00 O ATOM 298 CB CYS A 560 53.177 -2.311 -6.154 1.00 0.00 C ATOM 299 SG CYS A 560 52.415 -3.898 -5.729 1.00 0.00 S ATOM 0 H CYS A 560 55.284 -4.283 -7.055 1.00 0.00 H new ATOM 0 HA CYS A 560 55.162 -1.465 -6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 560 52.861 -1.544 -5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 560 52.845 -1.990 -7.141 1.00 0.00 H new ATOM 0 HG CYS A 560 53.270 -4.629 -5.077 1.00 0.00 H new ATOM 305 N ILE A 561 55.668 -2.267 -3.934 1.00 0.00 N ATOM 306 CA ILE A 561 56.115 -2.784 -2.611 1.00 0.00 C ATOM 307 C ILE A 561 54.952 -2.690 -1.626 1.00 0.00 C ATOM 308 O ILE A 561 54.109 -1.822 -1.737 1.00 0.00 O ATOM 309 CB ILE A 561 57.285 -1.938 -2.094 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.183 -1.517 -3.268 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.101 -2.752 -1.086 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.803 -2.753 -3.927 1.00 0.00 C ATOM 0 H ILE A 561 55.812 -1.267 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 561 56.438 -3.820 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 561 56.894 -1.045 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.599 -0.959 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 561 58.970 -0.851 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 561 58.932 -2.149 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.464 -3.039 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.489 -3.648 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 561 59.437 -2.443 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.403 -3.294 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.011 -3.403 -4.298 1.00 0.00 H new ATOM 324 N THR A 562 54.903 -3.570 -0.663 1.00 0.00 N ATOM 325 CA THR A 562 53.798 -3.529 0.338 1.00 0.00 C ATOM 326 C THR A 562 54.396 -3.602 1.740 1.00 0.00 C ATOM 327 O THR A 562 54.809 -4.651 2.196 1.00 0.00 O ATOM 328 CB THR A 562 52.854 -4.714 0.121 1.00 0.00 C ATOM 329 OG1 THR A 562 52.290 -4.635 -1.181 1.00 0.00 O ATOM 330 CG2 THR A 562 51.737 -4.681 1.167 1.00 0.00 C ATOM 0 H THR A 562 55.583 -4.318 -0.526 1.00 0.00 H new ATOM 0 HA THR A 562 53.235 -2.603 0.223 1.00 0.00 H new ATOM 0 HB THR A 562 53.412 -5.645 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.686 -5.394 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.066 -5.526 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.171 -4.743 2.165 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.177 -3.751 1.072 1.00 0.00 H new ATOM 338 N ALA A 563 54.448 -2.495 2.424 1.00 0.00 N ATOM 339 CA ALA A 563 55.022 -2.489 3.797 1.00 0.00 C ATOM 340 C ALA A 563 53.919 -2.820 4.804 1.00 0.00 C ATOM 341 O ALA A 563 53.203 -3.791 4.649 1.00 0.00 O ATOM 342 CB ALA A 563 55.609 -1.105 4.088 1.00 0.00 C ATOM 0 H ALA A 563 54.116 -1.590 2.090 1.00 0.00 H new ATOM 0 HA ALA A 563 55.812 -3.235 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.032 -1.093 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.391 -0.882 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 563 54.822 -0.354 4.016 1.00 0.00 H new ATOM 348 N MET A 564 53.769 -2.021 5.826 1.00 0.00 N ATOM 349 CA MET A 564 52.702 -2.282 6.833 1.00 0.00 C ATOM 350 C MET A 564 51.358 -1.926 6.206 1.00 0.00 C ATOM 351 O MET A 564 50.665 -1.032 6.651 1.00 0.00 O ATOM 352 CB MET A 564 52.937 -1.408 8.059 1.00 0.00 C ATOM 353 CG MET A 564 54.240 -1.825 8.744 1.00 0.00 C ATOM 354 SD MET A 564 54.420 -0.917 10.299 1.00 0.00 S ATOM 355 CE MET A 564 55.769 -1.907 10.988 1.00 0.00 C ATOM 0 H MET A 564 54.342 -1.196 6.007 1.00 0.00 H new ATOM 0 HA MET A 564 52.714 -3.330 7.134 1.00 0.00 H new ATOM 0 HB2 MET A 564 52.988 -0.359 7.766 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.102 -1.505 8.753 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.236 -2.898 8.935 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.088 -1.621 8.091 1.00 0.00 H new ATOM 0 HE1 MET A 564 55.926 -1.632 12.031 1.00 0.00 H new ATOM 0 HE2 MET A 564 55.512 -2.965 10.926 1.00 0.00 H new ATOM 0 HE3 MET A 564 56.682 -1.722 10.422 1.00 0.00 H new ATOM 365 N ALA A 565 51.015 -2.606 5.149 1.00 0.00 N ATOM 366 CA ALA A 565 49.740 -2.322 4.428 1.00 0.00 C ATOM 367 C ALA A 565 49.944 -1.080 3.558 1.00 0.00 C ATOM 368 O ALA A 565 49.141 -0.768 2.700 1.00 0.00 O ATOM 369 CB ALA A 565 48.597 -2.083 5.424 1.00 0.00 C ATOM 0 H ALA A 565 51.572 -3.359 4.746 1.00 0.00 H new ATOM 0 HA ALA A 565 49.472 -3.177 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.676 -1.878 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.462 -2.970 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 565 48.840 -1.231 6.059 1.00 0.00 H new ATOM 375 N LYS A 566 51.031 -0.379 3.772 1.00 0.00 N ATOM 376 CA LYS A 566 51.319 0.837 2.962 1.00 0.00 C ATOM 377 C LYS A 566 52.114 0.429 1.723 1.00 0.00 C ATOM 378 O LYS A 566 53.094 -0.285 1.815 1.00 0.00 O ATOM 379 CB LYS A 566 52.143 1.819 3.797 1.00 0.00 C ATOM 380 CG LYS A 566 51.227 2.904 4.369 1.00 0.00 C ATOM 381 CD LYS A 566 52.072 3.964 5.078 1.00 0.00 C ATOM 382 CE LYS A 566 52.683 3.368 6.350 1.00 0.00 C ATOM 383 NZ LYS A 566 54.122 3.061 6.113 1.00 0.00 N ATOM 0 H LYS A 566 51.733 -0.602 4.478 1.00 0.00 H new ATOM 0 HA LYS A 566 50.386 1.313 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 566 52.646 1.290 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 566 52.920 2.273 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 566 50.645 3.363 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.516 2.463 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 566 52.861 4.318 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.455 4.827 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.581 4.069 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.148 2.461 6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 54.401 2.241 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.270 2.845 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 54.701 3.883 6.379 1.00 0.00 H new ATOM 397 N LYS A 567 51.698 0.865 0.566 1.00 0.00 N ATOM 398 CA LYS A 567 52.426 0.490 -0.676 1.00 0.00 C ATOM 399 C LYS A 567 53.434 1.577 -1.034 1.00 0.00 C ATOM 400 O LYS A 567 53.455 2.635 -0.443 1.00 0.00 O ATOM 401 CB LYS A 567 51.424 0.317 -1.819 1.00 0.00 C ATOM 402 CG LYS A 567 50.795 -1.074 -1.733 1.00 0.00 C ATOM 403 CD LYS A 567 50.141 -1.258 -0.359 1.00 0.00 C ATOM 404 CE LYS A 567 49.095 -2.369 -0.434 1.00 0.00 C ATOM 405 NZ LYS A 567 48.765 -2.836 0.943 1.00 0.00 N ATOM 0 H LYS A 567 50.885 1.465 0.428 1.00 0.00 H new ATOM 0 HA LYS A 567 52.958 -0.447 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 567 50.651 1.083 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 567 51.924 0.444 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.051 -1.197 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.556 -1.839 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 567 50.898 -1.507 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.674 -0.326 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.196 -2.004 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.473 -3.199 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.171 -3.781 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.161 -2.172 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 47.732 -2.881 1.056 1.00 0.00 H new ATOM 419 N PHE A 568 54.273 1.314 -1.996 1.00 0.00 N ATOM 420 CA PHE A 568 55.298 2.318 -2.406 1.00 0.00 C ATOM 421 C PHE A 568 55.747 2.010 -3.829 1.00 0.00 C ATOM 422 O PHE A 568 56.020 0.871 -4.158 1.00 0.00 O ATOM 423 CB PHE A 568 56.532 2.202 -1.501 1.00 0.00 C ATOM 424 CG PHE A 568 56.239 2.703 -0.105 1.00 0.00 C ATOM 425 CD1 PHE A 568 55.791 1.810 0.879 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.434 4.052 0.213 1.00 0.00 C ATOM 427 CE1 PHE A 568 55.538 2.268 2.177 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.179 4.510 1.511 1.00 0.00 C ATOM 429 CZ PHE A 568 55.731 3.618 2.493 1.00 0.00 C ATOM 0 H PHE A 568 54.294 0.440 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 568 54.866 3.316 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 568 56.856 1.162 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.355 2.774 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 568 55.641 0.769 0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 568 56.781 4.740 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.194 1.580 2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 568 56.328 5.551 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 568 55.534 3.972 3.494 1.00 0.00 H new ATOM 439 N HIS A 569 55.872 3.003 -4.670 1.00 0.00 N ATOM 440 CA HIS A 569 56.362 2.720 -6.045 1.00 0.00 C ATOM 441 C HIS A 569 57.723 2.039 -5.888 1.00 0.00 C ATOM 442 O HIS A 569 58.538 2.483 -5.103 1.00 0.00 O ATOM 443 CB HIS A 569 56.547 4.026 -6.830 1.00 0.00 C ATOM 444 CG HIS A 569 55.238 4.477 -7.421 1.00 0.00 C ATOM 445 ND1 HIS A 569 54.629 5.656 -7.027 1.00 0.00 N ATOM 446 CD2 HIS A 569 54.423 3.935 -8.383 1.00 0.00 C ATOM 447 CE1 HIS A 569 53.497 5.789 -7.742 1.00 0.00 C ATOM 448 NE2 HIS A 569 53.325 4.766 -8.583 1.00 0.00 N ATOM 0 H HIS A 569 55.660 3.980 -4.467 1.00 0.00 H new ATOM 0 HA HIS A 569 55.650 2.096 -6.585 1.00 0.00 H new ATOM 0 HB2 HIS A 569 56.941 4.800 -6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 569 57.280 3.879 -7.624 1.00 0.00 H new ATOM 0 HD1 HIS A 569 54.976 6.306 -6.322 1.00 0.00 H new ATOM 0 HD2 HIS A 569 54.606 3.007 -8.904 1.00 0.00 H new ATOM 0 HE1 HIS A 569 52.813 6.619 -7.648 1.00 0.00 H new ATOM 456 N PRO A 570 57.974 0.971 -6.598 1.00 0.00 N ATOM 457 CA PRO A 570 59.277 0.259 -6.481 1.00 0.00 C ATOM 458 C PRO A 570 60.476 1.210 -6.588 1.00 0.00 C ATOM 459 O PRO A 570 61.599 0.848 -6.296 1.00 0.00 O ATOM 460 CB PRO A 570 59.215 -0.713 -7.656 1.00 0.00 C ATOM 461 CG PRO A 570 57.750 -0.825 -8.093 1.00 0.00 C ATOM 462 CD PRO A 570 56.996 0.396 -7.558 1.00 0.00 C ATOM 0 HA PRO A 570 59.418 -0.226 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 570 59.833 -0.357 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 570 59.603 -1.689 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.680 -0.869 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 570 57.308 -1.744 -7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 570 56.743 1.099 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.062 0.117 -7.070 1.00 0.00 H new ATOM 470 N GLU A 571 60.229 2.430 -6.988 1.00 0.00 N ATOM 471 CA GLU A 571 61.324 3.433 -7.103 1.00 0.00 C ATOM 472 C GLU A 571 61.181 4.470 -5.981 1.00 0.00 C ATOM 473 O GLU A 571 62.105 5.201 -5.682 1.00 0.00 O ATOM 474 CB GLU A 571 61.230 4.136 -8.460 1.00 0.00 C ATOM 475 CG GLU A 571 59.855 4.797 -8.601 1.00 0.00 C ATOM 476 CD GLU A 571 59.809 5.623 -9.888 1.00 0.00 C ATOM 477 OE1 GLU A 571 59.566 5.043 -10.933 1.00 0.00 O ATOM 478 OE2 GLU A 571 60.017 6.823 -9.806 1.00 0.00 O ATOM 0 H GLU A 571 59.304 2.776 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 571 62.289 2.933 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 571 62.016 4.886 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.384 3.417 -9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 571 59.075 4.036 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 571 59.658 5.436 -7.740 1.00 0.00 H new ATOM 485 N HIS A 572 60.027 4.538 -5.354 1.00 0.00 N ATOM 486 CA HIS A 572 59.828 5.527 -4.251 1.00 0.00 C ATOM 487 C HIS A 572 59.989 4.823 -2.906 1.00 0.00 C ATOM 488 O HIS A 572 60.139 5.457 -1.878 1.00 0.00 O ATOM 489 CB HIS A 572 58.434 6.159 -4.360 1.00 0.00 C ATOM 490 CG HIS A 572 58.372 6.964 -5.632 1.00 0.00 C ATOM 491 ND1 HIS A 572 57.179 7.321 -6.252 1.00 0.00 N ATOM 492 CD2 HIS A 572 59.370 7.485 -6.422 1.00 0.00 C ATOM 493 CE1 HIS A 572 57.495 8.018 -7.360 1.00 0.00 C ATOM 494 NE2 HIS A 572 58.812 8.146 -7.507 1.00 0.00 N ATOM 0 H HIS A 572 59.218 3.951 -5.560 1.00 0.00 H new ATOM 0 HA HIS A 572 60.573 6.318 -4.331 1.00 0.00 H new ATOM 0 HB2 HIS A 572 57.667 5.385 -4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 572 58.239 6.797 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 572 60.428 7.393 -6.227 1.00 0.00 H new ATOM 0 HE1 HIS A 572 56.767 8.424 -8.047 1.00 0.00 H new ATOM 0 HE2 HIS A 572 59.306 8.628 -8.258 1.00 0.00 H new ATOM 502 N PHE A 573 59.991 3.517 -2.908 1.00 0.00 N ATOM 503 CA PHE A 573 60.178 2.767 -1.640 1.00 0.00 C ATOM 504 C PHE A 573 61.651 2.867 -1.259 1.00 0.00 C ATOM 505 O PHE A 573 62.457 2.040 -1.634 1.00 0.00 O ATOM 506 CB PHE A 573 59.800 1.300 -1.854 1.00 0.00 C ATOM 507 CG PHE A 573 59.953 0.534 -0.558 1.00 0.00 C ATOM 508 CD1 PHE A 573 60.820 -0.565 -0.494 1.00 0.00 C ATOM 509 CD2 PHE A 573 59.228 0.919 0.576 1.00 0.00 C ATOM 510 CE1 PHE A 573 60.960 -1.277 0.703 1.00 0.00 C ATOM 511 CE2 PHE A 573 59.369 0.207 1.773 1.00 0.00 C ATOM 512 CZ PHE A 573 60.235 -0.890 1.836 1.00 0.00 C ATOM 0 H PHE A 573 59.870 2.938 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 573 59.549 3.179 -0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 573 58.772 1.228 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.435 0.860 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 573 61.380 -0.863 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 573 58.559 1.766 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 573 61.627 -2.125 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 573 58.809 0.504 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.344 -1.439 2.760 1.00 0.00 H new ATOM 522 N VAL A 574 62.009 3.893 -0.545 1.00 0.00 N ATOM 523 CA VAL A 574 63.438 4.074 -0.159 1.00 0.00 C ATOM 524 C VAL A 574 63.636 3.730 1.318 1.00 0.00 C ATOM 525 O VAL A 574 62.695 3.468 2.042 1.00 0.00 O ATOM 526 CB VAL A 574 63.853 5.529 -0.407 1.00 0.00 C ATOM 527 CG1 VAL A 574 63.670 5.872 -1.889 1.00 0.00 C ATOM 528 CG2 VAL A 574 62.986 6.465 0.443 1.00 0.00 C ATOM 0 H VAL A 574 61.374 4.618 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 574 64.055 3.408 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 574 64.900 5.655 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 574 63.966 6.907 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.290 5.211 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 574 62.624 5.742 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 574 63.283 7.498 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 574 61.938 6.337 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.119 6.226 1.498 1.00 0.00 H new ATOM 538 N CYS A 575 64.865 3.729 1.762 1.00 0.00 N ATOM 539 CA CYS A 575 65.160 3.403 3.187 1.00 0.00 C ATOM 540 C CYS A 575 64.872 4.617 4.069 1.00 0.00 C ATOM 541 O CYS A 575 65.318 5.712 3.789 1.00 0.00 O ATOM 542 CB CYS A 575 66.639 3.037 3.314 1.00 0.00 C ATOM 543 SG CYS A 575 67.105 2.968 5.064 1.00 0.00 S ATOM 0 H CYS A 575 65.684 3.942 1.193 1.00 0.00 H new ATOM 0 HA CYS A 575 64.534 2.569 3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 575 66.827 2.074 2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.251 3.773 2.794 1.00 0.00 H new ATOM 0 HG CYS A 575 68.118 2.167 5.212 1.00 0.00 H new ATOM 548 N ALA A 576 64.141 4.430 5.138 1.00 0.00 N ATOM 549 CA ALA A 576 63.840 5.575 6.050 1.00 0.00 C ATOM 550 C ALA A 576 65.110 5.953 6.829 1.00 0.00 C ATOM 551 O ALA A 576 65.073 6.214 8.017 1.00 0.00 O ATOM 552 CB ALA A 576 62.734 5.170 7.027 1.00 0.00 C ATOM 0 H ALA A 576 63.740 3.535 5.419 1.00 0.00 H new ATOM 0 HA ALA A 576 63.507 6.433 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 576 62.513 6.004 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 576 61.836 4.903 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.064 4.314 7.615 1.00 0.00 H new ATOM 558 N PHE A 577 66.232 5.986 6.157 1.00 0.00 N ATOM 559 CA PHE A 577 67.518 6.348 6.822 1.00 0.00 C ATOM 560 C PHE A 577 68.393 7.082 5.809 1.00 0.00 C ATOM 561 O PHE A 577 68.731 8.237 5.982 1.00 0.00 O ATOM 562 CB PHE A 577 68.238 5.075 7.280 1.00 0.00 C ATOM 563 CG PHE A 577 69.216 5.407 8.384 1.00 0.00 C ATOM 564 CD1 PHE A 577 68.750 5.881 9.617 1.00 0.00 C ATOM 565 CD2 PHE A 577 70.591 5.238 8.174 1.00 0.00 C ATOM 566 CE1 PHE A 577 69.658 6.186 10.638 1.00 0.00 C ATOM 567 CE2 PHE A 577 71.498 5.543 9.196 1.00 0.00 C ATOM 568 CZ PHE A 577 71.031 6.017 10.428 1.00 0.00 C ATOM 0 H PHE A 577 66.312 5.774 5.162 1.00 0.00 H new ATOM 0 HA PHE A 577 67.324 6.981 7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.512 4.343 7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 577 68.764 4.622 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 577 67.690 6.011 9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 577 70.951 4.872 7.224 1.00 0.00 H new ATOM 0 HE1 PHE A 577 69.298 6.552 11.588 1.00 0.00 H new ATOM 0 HE2 PHE A 577 72.558 5.413 9.034 1.00 0.00 H new ATOM 0 HZ PHE A 577 71.731 6.252 11.216 1.00 0.00 H new ATOM 578 N CYS A 578 68.747 6.412 4.746 1.00 0.00 N ATOM 579 CA CYS A 578 69.589 7.051 3.694 1.00 0.00 C ATOM 580 C CYS A 578 68.679 7.553 2.571 1.00 0.00 C ATOM 581 O CYS A 578 69.050 8.409 1.792 1.00 0.00 O ATOM 582 CB CYS A 578 70.581 6.025 3.139 1.00 0.00 C ATOM 583 SG CYS A 578 69.751 4.432 2.926 1.00 0.00 S ATOM 0 H CYS A 578 68.487 5.443 4.560 1.00 0.00 H new ATOM 0 HA CYS A 578 70.144 7.887 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 578 70.980 6.369 2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.427 5.918 3.818 1.00 0.00 H new ATOM 0 HG CYS A 578 70.212 3.583 3.796 1.00 0.00 H new ATOM 588 N LEU A 579 67.481 7.024 2.497 1.00 0.00 N ATOM 589 CA LEU A 579 66.511 7.454 1.443 1.00 0.00 C ATOM 590 C LEU A 579 67.145 7.337 0.053 1.00 0.00 C ATOM 591 O LEU A 579 66.698 7.955 -0.895 1.00 0.00 O ATOM 592 CB LEU A 579 66.087 8.907 1.694 1.00 0.00 C ATOM 593 CG LEU A 579 65.446 9.027 3.083 1.00 0.00 C ATOM 594 CD1 LEU A 579 66.453 9.631 4.065 1.00 0.00 C ATOM 595 CD2 LEU A 579 64.211 9.929 3.000 1.00 0.00 C ATOM 0 H LEU A 579 67.131 6.305 3.130 1.00 0.00 H new ATOM 0 HA LEU A 579 65.636 6.805 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 579 66.953 9.566 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.381 9.227 0.928 1.00 0.00 H new ATOM 0 HG LEU A 579 65.152 8.037 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 579 65.995 9.715 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 579 67.331 8.988 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 579 66.751 10.620 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 579 63.756 10.014 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 579 64.506 10.918 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 579 63.491 9.497 2.304 1.00 0.00 H new ATOM 607 N LYS A 580 68.176 6.545 -0.081 1.00 0.00 N ATOM 608 CA LYS A 580 68.828 6.386 -1.413 1.00 0.00 C ATOM 609 C LYS A 580 67.906 5.571 -2.326 1.00 0.00 C ATOM 610 O LYS A 580 67.571 5.982 -3.420 1.00 0.00 O ATOM 611 CB LYS A 580 70.172 5.662 -1.241 1.00 0.00 C ATOM 612 CG LYS A 580 69.948 4.266 -0.642 1.00 0.00 C ATOM 613 CD LYS A 580 71.253 3.747 -0.029 1.00 0.00 C ATOM 614 CE LYS A 580 71.617 2.399 -0.656 1.00 0.00 C ATOM 615 NZ LYS A 580 72.049 2.608 -2.067 1.00 0.00 N ATOM 0 H LYS A 580 68.594 6.002 0.674 1.00 0.00 H new ATOM 0 HA LYS A 580 69.007 7.364 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 580 70.673 5.576 -2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 580 70.827 6.244 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.170 4.308 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.601 3.580 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.056 4.465 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.142 3.639 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.416 1.925 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.760 1.727 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.486 1.736 -2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.223 2.850 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.740 3.384 -2.107 1.00 0.00 H new ATOM 629 N GLN A 581 67.492 4.423 -1.865 1.00 0.00 N ATOM 630 CA GLN A 581 66.585 3.547 -2.655 1.00 0.00 C ATOM 631 C GLN A 581 66.357 2.283 -1.838 1.00 0.00 C ATOM 632 O GLN A 581 67.150 1.953 -0.976 1.00 0.00 O ATOM 633 CB GLN A 581 67.228 3.178 -3.998 1.00 0.00 C ATOM 634 CG GLN A 581 66.196 3.316 -5.122 1.00 0.00 C ATOM 635 CD GLN A 581 65.866 1.937 -5.692 1.00 0.00 C ATOM 636 OE1 GLN A 581 66.525 1.465 -6.597 1.00 0.00 O ATOM 637 NE2 GLN A 581 64.866 1.267 -5.195 1.00 0.00 N ATOM 0 H GLN A 581 67.751 4.048 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 581 65.646 4.062 -2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.082 3.827 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.606 2.156 -3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.291 3.789 -4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 581 66.586 3.962 -5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 581 64.313 1.664 -4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 581 64.635 0.345 -5.565 1.00 0.00 H new ATOM 646 N LEU A 582 65.291 1.575 -2.074 1.00 0.00 N ATOM 647 CA LEU A 582 65.057 0.350 -1.268 1.00 0.00 C ATOM 648 C LEU A 582 64.137 -0.624 -2.002 1.00 0.00 C ATOM 649 O LEU A 582 63.292 -0.241 -2.788 1.00 0.00 O ATOM 650 CB LEU A 582 64.423 0.746 0.068 1.00 0.00 C ATOM 651 CG LEU A 582 64.741 -0.309 1.124 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.226 -0.249 1.485 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.896 -0.046 2.374 1.00 0.00 C ATOM 0 H LEU A 582 64.583 1.786 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 582 66.013 -0.146 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.801 1.718 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.344 0.845 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 582 64.510 -1.298 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.448 -1.004 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.825 -0.439 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.465 0.739 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 582 64.121 -0.798 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.126 0.944 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.838 -0.097 2.115 1.00 0.00 H new ATOM 665 N ASN A 583 64.301 -1.886 -1.721 1.00 0.00 N ATOM 666 CA ASN A 583 63.456 -2.933 -2.351 1.00 0.00 C ATOM 667 C ASN A 583 63.104 -3.958 -1.272 1.00 0.00 C ATOM 668 O ASN A 583 63.976 -4.547 -0.659 1.00 0.00 O ATOM 669 CB ASN A 583 64.228 -3.611 -3.489 1.00 0.00 C ATOM 670 CG ASN A 583 65.480 -4.295 -2.935 1.00 0.00 C ATOM 671 OD1 ASN A 583 65.532 -5.505 -2.837 1.00 0.00 O ATOM 672 ND2 ASN A 583 66.497 -3.568 -2.564 1.00 0.00 N ATOM 0 H ASN A 583 65.000 -2.241 -1.068 1.00 0.00 H new ATOM 0 HA ASN A 583 62.550 -2.494 -2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 583 63.592 -4.344 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.509 -2.873 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 583 67.335 -4.015 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 583 66.455 -2.552 -2.646 1.00 0.00 H new ATOM 679 N LYS A 584 61.840 -4.156 -1.015 1.00 0.00 N ATOM 680 CA LYS A 584 61.431 -5.124 0.044 1.00 0.00 C ATOM 681 C LYS A 584 62.213 -6.432 -0.102 1.00 0.00 C ATOM 682 O LYS A 584 62.699 -6.983 0.866 1.00 0.00 O ATOM 683 CB LYS A 584 59.935 -5.424 -0.083 1.00 0.00 C ATOM 684 CG LYS A 584 59.695 -6.904 0.232 1.00 0.00 C ATOM 685 CD LYS A 584 58.244 -7.144 0.623 1.00 0.00 C ATOM 686 CE LYS A 584 57.895 -6.334 1.876 1.00 0.00 C ATOM 687 NZ LYS A 584 57.244 -5.054 1.476 1.00 0.00 N ATOM 0 H LYS A 584 61.070 -3.688 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 584 61.642 -4.683 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 584 59.366 -4.796 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 584 59.589 -5.192 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 584 59.947 -7.511 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 584 60.352 -7.219 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 584 57.586 -6.859 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 584 58.080 -8.205 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 584 57.228 -6.908 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 584 58.797 -6.131 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 57.753 -4.256 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.269 -4.961 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 56.256 -5.051 1.800 1.00 0.00 H new ATOM 701 N GLY A 585 62.303 -6.937 -1.305 1.00 0.00 N ATOM 702 CA GLY A 585 63.021 -8.225 -1.551 1.00 0.00 C ATOM 703 C GLY A 585 64.270 -8.333 -0.673 1.00 0.00 C ATOM 704 O GLY A 585 64.679 -9.416 -0.302 1.00 0.00 O ATOM 0 H GLY A 585 61.904 -6.506 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 585 62.354 -9.062 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 585 63.304 -8.293 -2.602 1.00 0.00 H new ATOM 708 N THR A 586 64.875 -7.225 -0.332 1.00 0.00 N ATOM 709 CA THR A 586 66.093 -7.278 0.526 1.00 0.00 C ATOM 710 C THR A 586 66.090 -6.110 1.515 1.00 0.00 C ATOM 711 O THR A 586 67.133 -5.595 1.873 1.00 0.00 O ATOM 712 CB THR A 586 67.344 -7.197 -0.356 1.00 0.00 C ATOM 713 OG1 THR A 586 67.390 -5.928 -0.994 1.00 0.00 O ATOM 714 CG2 THR A 586 67.302 -8.301 -1.414 1.00 0.00 C ATOM 0 H THR A 586 64.579 -6.289 -0.610 1.00 0.00 H new ATOM 0 HA THR A 586 66.096 -8.216 1.082 1.00 0.00 H new ATOM 0 HB THR A 586 68.232 -7.327 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 586 66.947 -5.984 -1.867 1.00 0.00 H new ATOM 0 HG21 THR A 586 68.193 -8.240 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 586 67.269 -9.274 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 586 66.414 -8.177 -2.034 1.00 0.00 H new ATOM 722 N PHE A 587 64.936 -5.683 1.973 1.00 0.00 N ATOM 723 CA PHE A 587 64.913 -4.550 2.943 1.00 0.00 C ATOM 724 C PHE A 587 64.662 -5.075 4.354 1.00 0.00 C ATOM 725 O PHE A 587 64.429 -6.248 4.572 1.00 0.00 O ATOM 726 CB PHE A 587 63.810 -3.539 2.570 1.00 0.00 C ATOM 727 CG PHE A 587 62.575 -3.754 3.426 1.00 0.00 C ATOM 728 CD1 PHE A 587 62.084 -2.708 4.218 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.924 -4.995 3.428 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.946 -2.903 5.009 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.786 -5.188 4.220 1.00 0.00 C ATOM 732 CZ PHE A 587 60.297 -4.142 5.010 1.00 0.00 C ATOM 0 H PHE A 587 64.025 -6.065 1.720 1.00 0.00 H new ATOM 0 HA PHE A 587 65.880 -4.049 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.180 -2.523 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.552 -3.647 1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.584 -1.751 4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.300 -5.803 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.569 -2.096 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.285 -6.145 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.419 -4.291 5.620 1.00 0.00 H new ATOM 742 N LYS A 588 64.687 -4.186 5.299 1.00 0.00 N ATOM 743 CA LYS A 588 64.432 -4.545 6.718 1.00 0.00 C ATOM 744 C LYS A 588 63.628 -3.400 7.331 1.00 0.00 C ATOM 745 O LYS A 588 63.526 -2.338 6.749 1.00 0.00 O ATOM 746 CB LYS A 588 65.764 -4.701 7.460 1.00 0.00 C ATOM 747 CG LYS A 588 66.383 -6.072 7.161 1.00 0.00 C ATOM 748 CD LYS A 588 65.607 -7.166 7.905 1.00 0.00 C ATOM 749 CE LYS A 588 64.880 -8.060 6.898 1.00 0.00 C ATOM 750 NZ LYS A 588 64.333 -9.255 7.600 1.00 0.00 N ATOM 0 H LYS A 588 64.879 -3.196 5.144 1.00 0.00 H new ATOM 0 HA LYS A 588 63.888 -5.486 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 588 66.451 -3.911 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 588 65.605 -4.592 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 588 66.362 -6.264 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 588 67.429 -6.083 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 588 66.290 -7.763 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.889 -6.714 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 588 64.073 -7.505 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 588 65.566 -8.370 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 63.839 -9.863 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 65.112 -9.788 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 63.666 -8.950 8.337 1.00 0.00 H new ATOM 764 N GLU A 589 63.051 -3.586 8.483 1.00 0.00 N ATOM 765 CA GLU A 589 62.260 -2.479 9.088 1.00 0.00 C ATOM 766 C GLU A 589 62.585 -2.349 10.575 1.00 0.00 C ATOM 767 O GLU A 589 62.902 -3.312 11.247 1.00 0.00 O ATOM 768 CB GLU A 589 60.761 -2.748 8.898 1.00 0.00 C ATOM 769 CG GLU A 589 60.228 -3.607 10.049 1.00 0.00 C ATOM 770 CD GLU A 589 58.977 -4.360 9.590 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.891 -3.948 9.962 1.00 0.00 O ATOM 772 OE2 GLU A 589 59.126 -5.335 8.871 1.00 0.00 O ATOM 0 H GLU A 589 63.091 -4.447 9.028 1.00 0.00 H new ATOM 0 HA GLU A 589 62.521 -1.545 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 589 60.217 -1.804 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.593 -3.255 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.992 -4.314 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.992 -2.978 10.907 1.00 0.00 H new ATOM 779 N GLN A 590 62.501 -1.154 11.082 1.00 0.00 N ATOM 780 CA GLN A 590 62.788 -0.913 12.518 1.00 0.00 C ATOM 781 C GLN A 590 61.999 0.315 12.962 1.00 0.00 C ATOM 782 O GLN A 590 61.814 1.243 12.205 1.00 0.00 O ATOM 783 CB GLN A 590 64.284 -0.651 12.703 1.00 0.00 C ATOM 784 CG GLN A 590 64.647 -0.735 14.189 1.00 0.00 C ATOM 785 CD GLN A 590 64.635 -2.197 14.642 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.206 -2.503 15.736 1.00 0.00 O ATOM 787 NE2 GLN A 590 65.093 -3.118 13.842 1.00 0.00 N ATOM 0 H GLN A 590 62.241 -0.322 10.553 1.00 0.00 H new ATOM 0 HA GLN A 590 62.503 -1.782 13.111 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.863 -1.380 12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.541 0.333 12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 590 65.632 -0.300 14.358 1.00 0.00 H new ATOM 0 HG3 GLN A 590 63.938 -0.155 14.780 1.00 0.00 H new ATOM 0 HE21 GLN A 590 65.454 -2.862 12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 590 65.091 -4.095 14.135 1.00 0.00 H new ATOM 796 N ASN A 591 61.535 0.331 14.179 1.00 0.00 N ATOM 797 CA ASN A 591 60.762 1.508 14.671 1.00 0.00 C ATOM 798 C ASN A 591 59.562 1.792 13.751 1.00 0.00 C ATOM 799 O ASN A 591 59.032 2.886 13.744 1.00 0.00 O ATOM 800 CB ASN A 591 61.680 2.733 14.711 1.00 0.00 C ATOM 801 CG ASN A 591 62.631 2.624 15.904 1.00 0.00 C ATOM 802 OD1 ASN A 591 62.204 2.636 17.041 1.00 0.00 O ATOM 803 ND2 ASN A 591 63.912 2.519 15.689 1.00 0.00 N ATOM 0 H ASN A 591 61.657 -0.421 14.857 1.00 0.00 H new ATOM 0 HA ASN A 591 60.387 1.291 15.671 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.250 2.803 13.784 1.00 0.00 H new ATOM 0 HB3 ASN A 591 61.085 3.643 14.789 1.00 0.00 H new ATOM 0 HD21 ASN A 591 64.557 2.447 16.476 1.00 0.00 H new ATOM 0 HD22 ASN A 591 64.270 2.509 14.734 1.00 0.00 H new ATOM 810 N ASP A 592 59.126 0.812 12.990 1.00 0.00 N ATOM 811 CA ASP A 592 57.944 1.006 12.082 1.00 0.00 C ATOM 812 C ASP A 592 58.353 1.722 10.786 1.00 0.00 C ATOM 813 O ASP A 592 57.557 2.416 10.182 1.00 0.00 O ATOM 814 CB ASP A 592 56.868 1.837 12.795 1.00 0.00 C ATOM 815 CG ASP A 592 55.478 1.385 12.339 1.00 0.00 C ATOM 816 OD1 ASP A 592 55.011 1.894 11.333 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.905 0.539 13.006 1.00 0.00 O ATOM 0 H ASP A 592 59.540 -0.120 12.958 1.00 0.00 H new ATOM 0 HA ASP A 592 57.550 0.022 11.830 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.962 1.721 13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 592 57.007 2.895 12.574 1.00 0.00 H new ATOM 822 N LYS A 593 59.570 1.556 10.339 1.00 0.00 N ATOM 823 CA LYS A 593 59.990 2.227 9.072 1.00 0.00 C ATOM 824 C LYS A 593 60.964 1.316 8.315 1.00 0.00 C ATOM 825 O LYS A 593 61.587 0.453 8.898 1.00 0.00 O ATOM 826 CB LYS A 593 60.657 3.581 9.368 1.00 0.00 C ATOM 827 CG LYS A 593 60.774 3.823 10.877 1.00 0.00 C ATOM 828 CD LYS A 593 61.095 5.299 11.129 1.00 0.00 C ATOM 829 CE LYS A 593 61.355 5.525 12.620 1.00 0.00 C ATOM 830 NZ LYS A 593 62.766 5.163 12.939 1.00 0.00 N ATOM 0 H LYS A 593 60.287 0.989 10.792 1.00 0.00 H new ATOM 0 HA LYS A 593 59.107 2.410 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.648 3.608 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.076 4.383 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 593 59.843 3.551 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.556 3.192 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 593 61.969 5.595 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 593 60.266 5.923 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 593 61.168 6.567 12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 593 60.670 4.921 13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 62.804 4.699 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 63.130 4.514 12.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 63.349 6.024 12.958 1.00 0.00 H new ATOM 844 N PRO A 594 61.081 1.498 7.018 1.00 0.00 N ATOM 845 CA PRO A 594 61.985 0.657 6.177 1.00 0.00 C ATOM 846 C PRO A 594 63.463 0.954 6.395 1.00 0.00 C ATOM 847 O PRO A 594 63.848 2.042 6.777 1.00 0.00 O ATOM 848 CB PRO A 594 61.579 1.068 4.769 1.00 0.00 C ATOM 849 CG PRO A 594 60.903 2.433 4.874 1.00 0.00 C ATOM 850 CD PRO A 594 60.326 2.553 6.288 1.00 0.00 C ATOM 0 HA PRO A 594 61.883 -0.404 6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.451 1.120 4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.899 0.335 4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.620 3.232 4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.114 2.528 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.491 3.543 6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.251 2.373 6.307 1.00 0.00 H new ATOM 858 N TYR A 595 64.282 -0.018 6.130 1.00 0.00 N ATOM 859 CA TYR A 595 65.752 0.142 6.288 1.00 0.00 C ATOM 860 C TYR A 595 66.433 -0.936 5.451 1.00 0.00 C ATOM 861 O TYR A 595 66.159 -2.107 5.614 1.00 0.00 O ATOM 862 CB TYR A 595 66.139 -0.051 7.760 1.00 0.00 C ATOM 863 CG TYR A 595 65.646 1.117 8.580 1.00 0.00 C ATOM 864 CD1 TYR A 595 66.367 2.315 8.597 1.00 0.00 C ATOM 865 CD2 TYR A 595 64.465 1.002 9.320 1.00 0.00 C ATOM 866 CE1 TYR A 595 65.905 3.399 9.353 1.00 0.00 C ATOM 867 CE2 TYR A 595 64.005 2.085 10.075 1.00 0.00 C ATOM 868 CZ TYR A 595 64.724 3.284 10.091 1.00 0.00 C ATOM 869 OH TYR A 595 64.268 4.353 10.834 1.00 0.00 O ATOM 0 H TYR A 595 63.989 -0.939 5.803 1.00 0.00 H new ATOM 0 HA TYR A 595 66.059 1.137 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.710 -0.979 8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.222 -0.139 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.280 2.404 8.027 1.00 0.00 H new ATOM 0 HD2 TYR A 595 63.908 0.077 9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 595 66.462 4.324 9.366 1.00 0.00 H new ATOM 0 HE2 TYR A 595 63.093 1.995 10.647 1.00 0.00 H new ATOM 0 HH TYR A 595 64.547 5.190 10.408 1.00 0.00 H new ATOM 879 N CYS A 596 67.313 -0.567 4.557 1.00 0.00 N ATOM 880 CA CYS A 596 67.991 -1.604 3.730 1.00 0.00 C ATOM 881 C CYS A 596 68.574 -2.659 4.663 1.00 0.00 C ATOM 882 O CYS A 596 69.050 -2.348 5.736 1.00 0.00 O ATOM 883 CB CYS A 596 69.123 -0.979 2.902 1.00 0.00 C ATOM 884 SG CYS A 596 68.814 0.786 2.660 1.00 0.00 S ATOM 0 H CYS A 596 67.588 0.397 4.366 1.00 0.00 H new ATOM 0 HA CYS A 596 67.268 -2.051 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 596 70.077 -1.123 3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.197 -1.479 1.936 1.00 0.00 H new ATOM 0 HG CYS A 596 69.408 1.463 3.598 1.00 0.00 H new ATOM 889 N GLN A 597 68.543 -3.898 4.267 1.00 0.00 N ATOM 890 CA GLN A 597 69.106 -4.967 5.135 1.00 0.00 C ATOM 891 C GLN A 597 70.504 -4.531 5.577 1.00 0.00 C ATOM 892 O GLN A 597 70.905 -4.740 6.704 1.00 0.00 O ATOM 893 CB GLN A 597 69.158 -6.272 4.330 1.00 0.00 C ATOM 894 CG GLN A 597 70.473 -7.028 4.574 1.00 0.00 C ATOM 895 CD GLN A 597 70.584 -7.446 6.046 1.00 0.00 C ATOM 896 OE1 GLN A 597 71.641 -7.841 6.496 1.00 0.00 O ATOM 897 NE2 GLN A 597 69.536 -7.376 6.820 1.00 0.00 N ATOM 0 H GLN A 597 68.153 -4.217 3.380 1.00 0.00 H new ATOM 0 HA GLN A 597 68.491 -5.132 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 597 68.315 -6.906 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 597 69.055 -6.051 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 597 70.517 -7.910 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 597 71.319 -6.396 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 597 68.647 -7.045 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 597 69.606 -7.652 7.799 1.00 0.00 H new ATOM 906 N ASN A 598 71.227 -3.890 4.698 1.00 0.00 N ATOM 907 CA ASN A 598 72.584 -3.395 5.056 1.00 0.00 C ATOM 908 C ASN A 598 72.428 -2.306 6.117 1.00 0.00 C ATOM 909 O ASN A 598 73.189 -2.231 7.060 1.00 0.00 O ATOM 910 CB ASN A 598 73.263 -2.817 3.811 1.00 0.00 C ATOM 911 CG ASN A 598 74.624 -2.230 4.194 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.775 -1.029 4.294 1.00 0.00 O ATOM 913 ND2 ASN A 598 75.628 -3.033 4.415 1.00 0.00 N ATOM 0 H ASN A 598 70.932 -3.688 3.743 1.00 0.00 H new ATOM 0 HA ASN A 598 73.197 -4.209 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 598 73.390 -3.596 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.635 -2.045 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 598 76.539 -2.652 4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 598 75.502 -4.042 4.331 1.00 0.00 H new ATOM 920 N CYS A 599 71.421 -1.480 5.979 1.00 0.00 N ATOM 921 CA CYS A 599 71.180 -0.411 6.990 1.00 0.00 C ATOM 922 C CYS A 599 70.763 -1.090 8.291 1.00 0.00 C ATOM 923 O CYS A 599 71.429 -0.973 9.292 1.00 0.00 O ATOM 924 CB CYS A 599 70.060 0.523 6.515 1.00 0.00 C ATOM 925 SG CYS A 599 70.768 1.919 5.606 1.00 0.00 S ATOM 0 H CYS A 599 70.755 -1.502 5.207 1.00 0.00 H new ATOM 0 HA CYS A 599 72.083 0.182 7.135 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.365 -0.023 5.877 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.490 0.886 7.370 1.00 0.00 H new ATOM 0 HG CYS A 599 69.945 2.925 5.645 1.00 0.00 H new ATOM 930 N PHE A 600 69.680 -1.830 8.269 1.00 0.00 N ATOM 931 CA PHE A 600 69.229 -2.557 9.496 1.00 0.00 C ATOM 932 C PHE A 600 70.433 -3.292 10.080 1.00 0.00 C ATOM 933 O PHE A 600 70.698 -3.245 11.264 1.00 0.00 O ATOM 934 CB PHE A 600 68.142 -3.561 9.093 1.00 0.00 C ATOM 935 CG PHE A 600 67.912 -4.573 10.194 1.00 0.00 C ATOM 936 CD1 PHE A 600 66.878 -4.381 11.118 1.00 0.00 C ATOM 937 CD2 PHE A 600 68.724 -5.711 10.280 1.00 0.00 C ATOM 938 CE1 PHE A 600 66.658 -5.325 12.128 1.00 0.00 C ATOM 939 CE2 PHE A 600 68.505 -6.653 11.291 1.00 0.00 C ATOM 940 CZ PHE A 600 67.471 -6.460 12.215 1.00 0.00 C ATOM 0 H PHE A 600 69.087 -1.962 7.450 1.00 0.00 H new ATOM 0 HA PHE A 600 68.825 -1.868 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 600 67.213 -3.032 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 600 68.435 -4.074 8.177 1.00 0.00 H new ATOM 0 HD1 PHE A 600 66.250 -3.505 11.052 1.00 0.00 H new ATOM 0 HD2 PHE A 600 69.520 -5.861 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 600 65.860 -5.177 12.841 1.00 0.00 H new ATOM 0 HE2 PHE A 600 69.133 -7.529 11.359 1.00 0.00 H new ATOM 0 HZ PHE A 600 67.301 -7.187 12.995 1.00 0.00 H new ATOM 950 N LEU A 601 71.178 -3.943 9.233 1.00 0.00 N ATOM 951 CA LEU A 601 72.398 -4.663 9.683 1.00 0.00 C ATOM 952 C LEU A 601 73.350 -3.643 10.318 1.00 0.00 C ATOM 953 O LEU A 601 74.159 -3.962 11.164 1.00 0.00 O ATOM 954 CB LEU A 601 73.043 -5.301 8.450 1.00 0.00 C ATOM 955 CG LEU A 601 74.373 -5.961 8.813 1.00 0.00 C ATOM 956 CD1 LEU A 601 74.108 -7.293 9.519 1.00 0.00 C ATOM 957 CD2 LEU A 601 75.164 -6.208 7.527 1.00 0.00 C ATOM 0 H LEU A 601 70.989 -4.007 8.233 1.00 0.00 H new ATOM 0 HA LEU A 601 72.164 -5.436 10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 601 72.368 -6.043 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 601 73.206 -4.542 7.685 1.00 0.00 H new ATOM 0 HG LEU A 601 74.942 -5.313 9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 601 75.057 -7.763 9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 601 73.532 -7.115 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 601 73.546 -7.951 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 601 76.116 -6.679 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 601 74.593 -6.863 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 601 75.347 -5.258 7.024 1.00 0.00 H new ATOM 969 N LYS A 602 73.234 -2.410 9.905 1.00 0.00 N ATOM 970 CA LYS A 602 74.093 -1.320 10.450 1.00 0.00 C ATOM 971 C LYS A 602 73.428 -0.705 11.687 1.00 0.00 C ATOM 972 O LYS A 602 74.088 -0.338 12.639 1.00 0.00 O ATOM 973 CB LYS A 602 74.244 -0.236 9.378 1.00 0.00 C ATOM 974 CG LYS A 602 75.687 0.261 9.335 1.00 0.00 C ATOM 975 CD LYS A 602 76.576 -0.771 8.630 1.00 0.00 C ATOM 976 CE LYS A 602 76.336 -0.714 7.118 1.00 0.00 C ATOM 977 NZ LYS A 602 77.528 -1.257 6.406 1.00 0.00 N ATOM 0 H LYS A 602 72.565 -2.106 9.197 1.00 0.00 H new ATOM 0 HA LYS A 602 75.067 -1.724 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.959 -0.634 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.571 0.594 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.736 1.215 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 602 76.051 0.435 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.625 -0.571 8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 602 76.357 -1.771 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.449 -1.291 6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.150 0.314 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.466 -1.021 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.392 -0.839 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.559 -2.290 6.519 1.00 0.00 H new ATOM 991 N LEU A 603 72.126 -0.571 11.669 1.00 0.00 N ATOM 992 CA LEU A 603 71.413 0.036 12.830 1.00 0.00 C ATOM 993 C LEU A 603 71.144 -1.035 13.888 1.00 0.00 C ATOM 994 O LEU A 603 71.517 -0.897 15.037 1.00 0.00 O ATOM 995 CB LEU A 603 70.070 0.626 12.372 1.00 0.00 C ATOM 996 CG LEU A 603 70.187 1.233 10.968 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.883 1.953 10.618 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.346 2.234 10.914 1.00 0.00 C ATOM 0 H LEU A 603 71.525 -0.858 10.896 1.00 0.00 H new ATOM 0 HA LEU A 603 72.037 0.825 13.250 1.00 0.00 H new ATOM 0 HB2 LEU A 603 69.307 -0.153 12.373 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.745 1.391 13.077 1.00 0.00 H new ATOM 0 HG LEU A 603 70.376 0.433 10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.963 2.386 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 603 68.057 1.242 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.699 2.745 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.416 2.656 9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.170 3.034 11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 603 72.278 1.725 11.159 1.00 0.00 H new ATOM 1010 N PHE A 604 70.486 -2.094 13.506 1.00 0.00 N ATOM 1011 CA PHE A 604 70.166 -3.180 14.475 1.00 0.00 C ATOM 1012 C PHE A 604 71.432 -3.969 14.818 1.00 0.00 C ATOM 1013 O PHE A 604 71.488 -4.655 15.820 1.00 0.00 O ATOM 1014 CB PHE A 604 69.134 -4.123 13.852 1.00 0.00 C ATOM 1015 CG PHE A 604 68.362 -4.823 14.946 1.00 0.00 C ATOM 1016 CD1 PHE A 604 68.653 -6.155 15.268 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.354 -4.141 15.638 1.00 0.00 C ATOM 1018 CE1 PHE A 604 67.937 -6.803 16.280 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.638 -4.789 16.651 1.00 0.00 C ATOM 1020 CZ PHE A 604 66.929 -6.120 16.972 1.00 0.00 C ATOM 0 H PHE A 604 70.153 -2.255 12.555 1.00 0.00 H new ATOM 0 HA PHE A 604 69.764 -2.739 15.387 1.00 0.00 H new ATOM 0 HB2 PHE A 604 68.452 -3.561 13.214 1.00 0.00 H new ATOM 0 HB3 PHE A 604 69.632 -4.856 13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 604 69.430 -6.682 14.735 1.00 0.00 H new ATOM 0 HD2 PHE A 604 67.129 -3.114 15.390 1.00 0.00 H new ATOM 0 HE1 PHE A 604 68.162 -7.830 16.528 1.00 0.00 H new ATOM 0 HE2 PHE A 604 65.861 -4.262 17.185 1.00 0.00 H new ATOM 0 HZ PHE A 604 66.376 -6.620 17.753 1.00 0.00 H new ATOM 1030 N CYS A 605 72.445 -3.882 13.996 1.00 0.00 N ATOM 1031 CA CYS A 605 73.703 -4.635 14.282 1.00 0.00 C ATOM 1032 C CYS A 605 74.916 -3.810 13.833 1.00 0.00 C ATOM 1033 O CYS A 605 75.930 -4.404 13.500 1.00 0.00 O ATOM 1034 CB CYS A 605 73.671 -5.974 13.534 1.00 0.00 C ATOM 1035 SG CYS A 605 74.736 -7.166 14.383 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.813 -2.595 13.836 1.00 0.00 O ATOM 0 H CYS A 605 72.456 -3.324 13.142 1.00 0.00 H new ATOM 0 HA CYS A 605 73.783 -4.821 15.353 1.00 0.00 H new ATOM 0 HB2 CYS A 605 72.650 -6.352 13.487 1.00 0.00 H new ATOM 0 HB3 CYS A 605 74.008 -5.837 12.506 1.00 0.00 H new ATOM 0 HG CYS A 605 74.707 -8.301 13.750 1.00 0.00 H new