USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 569 HIS HD1 : A 569 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 572 HIS HD1 : A 572 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 583 ASN : amide:sc= 0.229 K(o=1.4,f=0.72) USER MOD Set 1.2: A 586 THR OG1 : rot -62:sc= 1.19 USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0.578 K(o=0.58,f=-5.6!) USER MOD Single : A 547 SER OG : rot 54:sc= 0.0239 USER MOD Single : A 550 SER OG : rot -60:sc= -0.242 USER MOD Single : A 553 GLN :FLIP amide:sc= -2.34 F(o=-5.5!,f=-2.3) USER MOD Single : A 554 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0312) USER MOD Single : A 557 THR OG1 : rot 43:sc= 0.549 USER MOD Single : A 560 CYS SG : rot 23:sc= 0.889 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -163:sc= -0.235 (180deg=-1.08) USER MOD Single : A 566 LYS NZ :NH3+ -144:sc=-0.00903 (180deg=-0.43) USER MOD Single : A 567 LYS NZ :NH3+ -107:sc= 0.27 (180deg=-1.5!) USER MOD Single : A 580 LYS NZ :NH3+ 157:sc= -0.0245 (180deg=-0.187) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -160:sc= 0.274 (180deg=-0.182) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.402 F(o=-2.4,f=-0.4) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 593 LYS NZ :NH3+ 148:sc= 0.911 (180deg=-2.81!) USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -2.26! C(o=-4.2!,f=-2.3!) USER MOD Single : A 598 ASN :FLIP amide:sc= -2.49 F(o=-3.5!,f=-2.5) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0588 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 44.675 5.991 -13.066 1.00 0.00 N ATOM 2 CA TYR A 541 44.949 7.025 -12.026 1.00 0.00 C ATOM 3 C TYR A 541 44.222 6.651 -10.733 1.00 0.00 C ATOM 4 O TYR A 541 44.765 6.758 -9.651 1.00 0.00 O ATOM 5 CB TYR A 541 44.452 8.391 -12.514 1.00 0.00 C ATOM 6 CG TYR A 541 44.851 8.594 -13.957 1.00 0.00 C ATOM 7 CD1 TYR A 541 43.908 8.415 -14.977 1.00 0.00 C ATOM 8 CD2 TYR A 541 46.165 8.960 -14.276 1.00 0.00 C ATOM 9 CE1 TYR A 541 44.277 8.603 -16.314 1.00 0.00 C ATOM 10 CE2 TYR A 541 46.534 9.147 -15.614 1.00 0.00 C ATOM 11 CZ TYR A 541 45.591 8.969 -16.632 1.00 0.00 C ATOM 12 OH TYR A 541 45.954 9.154 -17.950 1.00 0.00 O ATOM 0 HA TYR A 541 46.022 7.076 -11.840 1.00 0.00 H new ATOM 0 HB2 TYR A 541 43.368 8.451 -12.415 1.00 0.00 H new ATOM 0 HB3 TYR A 541 44.873 9.184 -11.896 1.00 0.00 H new ATOM 0 HD1 TYR A 541 42.895 8.132 -14.732 1.00 0.00 H new ATOM 0 HD2 TYR A 541 46.893 9.098 -13.490 1.00 0.00 H new ATOM 0 HE1 TYR A 541 43.549 8.466 -17.100 1.00 0.00 H new ATOM 0 HE2 TYR A 541 47.547 9.429 -15.860 1.00 0.00 H new ATOM 0 HH TYR A 541 46.900 9.406 -17.996 1.00 0.00 H new ATOM 22 N HIS A 542 42.995 6.214 -10.841 1.00 0.00 N ATOM 23 CA HIS A 542 42.220 5.832 -9.627 1.00 0.00 C ATOM 24 C HIS A 542 42.749 4.504 -9.075 1.00 0.00 C ATOM 25 O HIS A 542 43.540 3.829 -9.707 1.00 0.00 O ATOM 26 CB HIS A 542 40.743 5.680 -9.998 1.00 0.00 C ATOM 27 CG HIS A 542 40.285 6.899 -10.753 1.00 0.00 C ATOM 28 ND1 HIS A 542 40.272 6.951 -12.138 1.00 0.00 N ATOM 29 CD2 HIS A 542 39.822 8.120 -10.328 1.00 0.00 C ATOM 30 CE1 HIS A 542 39.815 8.166 -12.494 1.00 0.00 C ATOM 31 NE2 HIS A 542 39.526 8.918 -11.429 1.00 0.00 N ATOM 0 H HIS A 542 42.495 6.105 -11.723 1.00 0.00 H new ATOM 0 HA HIS A 542 42.329 6.606 -8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 542 40.600 4.787 -10.607 1.00 0.00 H new ATOM 0 HB3 HIS A 542 40.143 5.550 -9.097 1.00 0.00 H new ATOM 0 HD2 HIS A 542 39.705 8.416 -9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 542 39.696 8.493 -13.516 1.00 0.00 H new ATOM 0 HE2 HIS A 542 39.166 9.872 -11.424 1.00 0.00 H new ATOM 39 N GLU A 543 42.316 4.127 -7.900 1.00 0.00 N ATOM 40 CA GLU A 543 42.788 2.846 -7.299 1.00 0.00 C ATOM 41 C GLU A 543 42.094 1.666 -7.988 1.00 0.00 C ATOM 42 O GLU A 543 41.302 1.845 -8.893 1.00 0.00 O ATOM 43 CB GLU A 543 42.460 2.835 -5.805 1.00 0.00 C ATOM 44 CG GLU A 543 43.478 3.700 -5.057 1.00 0.00 C ATOM 45 CD GLU A 543 44.192 2.858 -3.996 1.00 0.00 C ATOM 46 OE1 GLU A 543 45.258 2.344 -4.294 1.00 0.00 O ATOM 47 OE2 GLU A 543 43.660 2.741 -2.905 1.00 0.00 O ATOM 0 H GLU A 543 41.654 4.653 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 543 43.866 2.757 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 543 41.452 3.215 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 543 42.483 1.814 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 543 44.204 4.111 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 543 42.975 4.545 -4.586 1.00 0.00 H new ATOM 54 N ARG A 544 42.393 0.462 -7.563 1.00 0.00 N ATOM 55 CA ARG A 544 41.764 -0.750 -8.180 1.00 0.00 C ATOM 56 C ARG A 544 42.369 -1.004 -9.566 1.00 0.00 C ATOM 57 O ARG A 544 42.321 -2.106 -10.078 1.00 0.00 O ATOM 58 CB ARG A 544 40.248 -0.548 -8.307 1.00 0.00 C ATOM 59 CG ARG A 544 39.531 -1.888 -8.119 1.00 0.00 C ATOM 60 CD ARG A 544 39.387 -2.183 -6.626 1.00 0.00 C ATOM 61 NE ARG A 544 37.942 -2.180 -6.255 1.00 0.00 N ATOM 62 CZ ARG A 544 37.552 -2.678 -5.112 1.00 0.00 C ATOM 63 NH1 ARG A 544 36.286 -2.673 -4.800 1.00 0.00 N ATOM 64 NH2 ARG A 544 38.424 -3.178 -4.280 1.00 0.00 N ATOM 0 H ARG A 544 43.051 0.265 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 544 41.957 -1.612 -7.541 1.00 0.00 H new ATOM 0 HB2 ARG A 544 39.903 0.168 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 544 40.008 -0.130 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 544 38.549 -1.857 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 544 40.093 -2.685 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 544 39.832 -3.150 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 544 39.925 -1.435 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 544 37.254 -1.787 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 544 35.603 -2.281 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 544 35.979 -3.061 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 544 39.415 -3.181 -4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 544 38.114 -3.566 -3.389 1.00 0.00 H new ATOM 78 N ARG A 545 42.939 0.004 -10.175 1.00 0.00 N ATOM 79 CA ARG A 545 43.549 -0.177 -11.525 1.00 0.00 C ATOM 80 C ARG A 545 44.952 -0.771 -11.375 1.00 0.00 C ATOM 81 O ARG A 545 45.585 -1.143 -12.344 1.00 0.00 O ATOM 82 CB ARG A 545 43.643 1.179 -12.227 1.00 0.00 C ATOM 83 CG ARG A 545 42.289 1.884 -12.154 1.00 0.00 C ATOM 84 CD ARG A 545 42.260 3.031 -13.163 1.00 0.00 C ATOM 85 NE ARG A 545 41.086 3.923 -12.886 1.00 0.00 N ATOM 86 CZ ARG A 545 39.872 3.445 -12.779 1.00 0.00 C ATOM 87 NH1 ARG A 545 38.898 4.230 -12.412 1.00 0.00 N ATOM 88 NH2 ARG A 545 39.617 2.203 -13.083 1.00 0.00 N ATOM 0 H ARG A 545 43.008 0.947 -9.793 1.00 0.00 H new ATOM 0 HA ARG A 545 42.930 -0.851 -12.117 1.00 0.00 H new ATOM 0 HB2 ARG A 545 44.411 1.793 -11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 545 43.939 1.043 -13.267 1.00 0.00 H new ATOM 0 HG2 ARG A 545 41.487 1.177 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 545 42.119 2.266 -11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 545 43.185 3.604 -13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 545 42.196 2.634 -14.176 1.00 0.00 H new ATOM 0 HE ARG A 545 41.237 4.926 -12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 545 39.083 5.212 -12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 545 37.951 3.862 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 545 40.367 1.593 -13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 545 38.667 1.841 -12.996 1.00 0.00 H new ATOM 102 N GLY A 546 45.441 -0.859 -10.167 1.00 0.00 N ATOM 103 CA GLY A 546 46.802 -1.424 -9.947 1.00 0.00 C ATOM 104 C GLY A 546 47.201 -1.241 -8.482 1.00 0.00 C ATOM 105 O GLY A 546 46.825 -2.018 -7.625 1.00 0.00 O ATOM 0 H GLY A 546 44.954 -0.563 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 546 46.814 -2.482 -10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 546 47.523 -0.927 -10.596 1.00 0.00 H new ATOM 109 N SER A 547 47.960 -0.218 -8.192 1.00 0.00 N ATOM 110 CA SER A 547 48.391 0.026 -6.784 1.00 0.00 C ATOM 111 C SER A 547 49.095 1.381 -6.705 1.00 0.00 C ATOM 112 O SER A 547 50.106 1.599 -7.342 1.00 0.00 O ATOM 113 CB SER A 547 49.357 -1.077 -6.345 1.00 0.00 C ATOM 114 OG SER A 547 48.705 -1.927 -5.411 1.00 0.00 O ATOM 0 H SER A 547 48.301 0.462 -8.872 1.00 0.00 H new ATOM 0 HA SER A 547 47.520 0.024 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.687 -1.653 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 547 50.248 -0.639 -5.895 1.00 0.00 H new ATOM 0 HG SER A 547 47.866 -2.255 -5.797 1.00 0.00 H new ATOM 120 N LEU A 548 48.570 2.295 -5.934 1.00 0.00 N ATOM 121 CA LEU A 548 49.212 3.635 -5.824 1.00 0.00 C ATOM 122 C LEU A 548 50.510 3.520 -5.027 1.00 0.00 C ATOM 123 O LEU A 548 50.574 2.850 -4.015 1.00 0.00 O ATOM 124 CB LEU A 548 48.267 4.608 -5.111 1.00 0.00 C ATOM 125 CG LEU A 548 47.322 5.260 -6.128 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.612 4.182 -6.952 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.280 6.103 -5.387 1.00 0.00 C ATOM 0 H LEU A 548 47.725 2.171 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 548 49.429 4.007 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.690 4.078 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 548 48.844 5.375 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 548 47.902 5.896 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.943 4.655 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.352 3.584 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.034 3.538 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 548 45.608 6.567 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 548 45.707 5.464 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 548 46.783 6.878 -4.809 1.00 0.00 H new ATOM 139 N CYS A 549 51.540 4.187 -5.469 1.00 0.00 N ATOM 140 CA CYS A 549 52.833 4.145 -4.739 1.00 0.00 C ATOM 141 C CYS A 549 52.722 5.071 -3.543 1.00 0.00 C ATOM 142 O CYS A 549 52.641 6.273 -3.694 1.00 0.00 O ATOM 143 CB CYS A 549 53.960 4.623 -5.662 1.00 0.00 C ATOM 144 SG CYS A 549 55.216 5.535 -4.715 1.00 0.00 S ATOM 0 H CYS A 549 51.539 4.763 -6.311 1.00 0.00 H new ATOM 0 HA CYS A 549 53.056 3.129 -4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.420 3.768 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.551 5.262 -6.444 1.00 0.00 H new ATOM 149 N SER A 550 52.707 4.531 -2.358 1.00 0.00 N ATOM 150 CA SER A 550 52.597 5.404 -1.164 1.00 0.00 C ATOM 151 C SER A 550 53.666 6.486 -1.280 1.00 0.00 C ATOM 152 O SER A 550 54.851 6.216 -1.254 1.00 0.00 O ATOM 153 CB SER A 550 52.800 4.590 0.109 1.00 0.00 C ATOM 154 OG SER A 550 51.810 3.574 0.179 1.00 0.00 O ATOM 0 H SER A 550 52.766 3.531 -2.167 1.00 0.00 H new ATOM 0 HA SER A 550 51.606 5.855 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 550 53.795 4.145 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 550 52.735 5.238 0.983 1.00 0.00 H new ATOM 0 HG SER A 550 50.920 3.985 0.192 1.00 0.00 H new ATOM 160 N GLY A 551 53.244 7.699 -1.460 1.00 0.00 N ATOM 161 CA GLY A 551 54.204 8.822 -1.643 1.00 0.00 C ATOM 162 C GLY A 551 53.899 9.474 -2.992 1.00 0.00 C ATOM 163 O GLY A 551 54.088 10.659 -3.182 1.00 0.00 O ATOM 0 H GLY A 551 52.261 7.968 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 551 54.104 9.547 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 551 55.231 8.457 -1.617 1.00 0.00 H new ATOM 167 N CYS A 552 53.412 8.691 -3.925 1.00 0.00 N ATOM 168 CA CYS A 552 53.067 9.227 -5.273 1.00 0.00 C ATOM 169 C CYS A 552 51.548 9.299 -5.418 1.00 0.00 C ATOM 170 O CYS A 552 51.027 10.111 -6.156 1.00 0.00 O ATOM 171 CB CYS A 552 53.611 8.286 -6.347 1.00 0.00 C ATOM 172 SG CYS A 552 55.266 8.813 -6.832 1.00 0.00 S ATOM 0 H CYS A 552 53.238 7.693 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 552 53.502 10.220 -5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 552 53.640 7.264 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 552 52.950 8.286 -7.214 1.00 0.00 H new ATOM 177 N GLN A 553 50.839 8.437 -4.732 1.00 0.00 N ATOM 178 CA GLN A 553 49.350 8.424 -4.834 1.00 0.00 C ATOM 179 C GLN A 553 48.953 8.181 -6.294 1.00 0.00 C ATOM 180 O GLN A 553 47.908 8.603 -6.748 1.00 0.00 O ATOM 181 CB GLN A 553 48.779 9.760 -4.345 1.00 0.00 C ATOM 182 CG GLN A 553 48.997 9.887 -2.834 1.00 0.00 C ATOM 183 CD GLN A 553 50.457 10.248 -2.545 1.00 0.00 C ATOM 184 OE1 GLN A 553 51.103 9.601 -1.615 1.00 0.00 O flip ATOM 185 NE2 GLN A 553 51.014 11.129 -3.169 1.00 0.00 N flip ATOM 0 H GLN A 553 51.232 7.738 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 553 48.946 7.627 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 553 49.264 10.587 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 553 47.715 9.819 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 553 48.337 10.652 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 553 48.741 8.949 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 553 50.510 11.636 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 553 51.986 11.362 -2.965 1.00 0.00 H new ATOM 194 N LYS A 554 49.790 7.487 -7.021 1.00 0.00 N ATOM 195 CA LYS A 554 49.497 7.180 -8.449 1.00 0.00 C ATOM 196 C LYS A 554 49.800 5.700 -8.687 1.00 0.00 C ATOM 197 O LYS A 554 50.756 5.174 -8.149 1.00 0.00 O ATOM 198 CB LYS A 554 50.387 8.037 -9.358 1.00 0.00 C ATOM 199 CG LYS A 554 50.008 9.516 -9.214 1.00 0.00 C ATOM 200 CD LYS A 554 48.613 9.752 -9.800 1.00 0.00 C ATOM 201 CE LYS A 554 48.420 11.243 -10.087 1.00 0.00 C ATOM 202 NZ LYS A 554 48.366 11.995 -8.800 1.00 0.00 N ATOM 0 H LYS A 554 50.676 7.116 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 554 48.453 7.397 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 554 51.435 7.894 -9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 554 50.272 7.722 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 554 50.025 9.805 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 554 50.739 10.140 -9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 554 48.491 9.176 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 554 47.851 9.404 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 554 49.239 11.614 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 554 47.500 11.400 -10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 48.167 12.998 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 47.614 11.602 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 49.280 11.911 -8.310 1.00 0.00 H new ATOM 216 N PRO A 555 48.991 5.025 -9.469 1.00 0.00 N ATOM 217 CA PRO A 555 49.199 3.578 -9.739 1.00 0.00 C ATOM 218 C PRO A 555 50.645 3.218 -10.065 1.00 0.00 C ATOM 219 O PRO A 555 51.417 4.029 -10.541 1.00 0.00 O ATOM 220 CB PRO A 555 48.293 3.333 -10.938 1.00 0.00 C ATOM 221 CG PRO A 555 47.311 4.506 -11.038 1.00 0.00 C ATOM 222 CD PRO A 555 47.819 5.646 -10.143 1.00 0.00 C ATOM 0 HA PRO A 555 48.972 2.965 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 555 48.883 3.251 -11.851 1.00 0.00 H new ATOM 0 HB3 PRO A 555 47.753 2.393 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 555 47.229 4.844 -12.071 1.00 0.00 H new ATOM 0 HG3 PRO A 555 46.315 4.194 -10.724 1.00 0.00 H new ATOM 0 HD2 PRO A 555 48.103 6.523 -10.724 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.063 5.969 -9.427 1.00 0.00 H new ATOM 230 N ILE A 556 51.005 1.997 -9.800 1.00 0.00 N ATOM 231 CA ILE A 556 52.389 1.534 -10.067 1.00 0.00 C ATOM 232 C ILE A 556 52.378 0.608 -11.286 1.00 0.00 C ATOM 233 O ILE A 556 52.092 -0.570 -11.184 1.00 0.00 O ATOM 234 CB ILE A 556 52.890 0.787 -8.829 1.00 0.00 C ATOM 235 CG1 ILE A 556 53.055 1.786 -7.673 1.00 0.00 C ATOM 236 CG2 ILE A 556 54.235 0.121 -9.133 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.981 1.052 -6.330 1.00 0.00 C ATOM 0 H ILE A 556 50.387 1.289 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 556 53.049 2.376 -10.275 1.00 0.00 H new ATOM 0 HB ILE A 556 52.170 0.018 -8.550 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.011 2.303 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.276 2.546 -7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.587 -0.409 -8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 556 54.114 -0.585 -9.955 1.00 0.00 H new ATOM 0 HG23 ILE A 556 54.963 0.882 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.099 1.768 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 556 52.015 0.556 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.777 0.309 -6.277 1.00 0.00 H new ATOM 249 N THR A 557 52.673 1.140 -12.443 1.00 0.00 N ATOM 250 CA THR A 557 52.669 0.307 -13.680 1.00 0.00 C ATOM 251 C THR A 557 53.984 -0.472 -13.785 1.00 0.00 C ATOM 252 O THR A 557 55.000 0.053 -14.200 1.00 0.00 O ATOM 253 CB THR A 557 52.502 1.215 -14.903 1.00 0.00 C ATOM 254 OG1 THR A 557 53.469 2.255 -14.854 1.00 0.00 O ATOM 255 CG2 THR A 557 51.096 1.822 -14.901 1.00 0.00 C ATOM 0 H THR A 557 52.918 2.120 -12.584 1.00 0.00 H new ATOM 0 HA THR A 557 51.841 -0.401 -13.639 1.00 0.00 H new ATOM 0 HB THR A 557 52.642 0.631 -15.812 1.00 0.00 H new ATOM 0 HG1 THR A 557 54.334 1.885 -14.580 1.00 0.00 H new ATOM 0 HG21 THR A 557 50.977 2.468 -15.771 1.00 0.00 H new ATOM 0 HG22 THR A 557 50.355 1.024 -14.938 1.00 0.00 H new ATOM 0 HG23 THR A 557 50.954 2.407 -13.993 1.00 0.00 H new ATOM 263 N GLY A 558 53.964 -1.721 -13.402 1.00 0.00 N ATOM 264 CA GLY A 558 55.195 -2.561 -13.458 1.00 0.00 C ATOM 265 C GLY A 558 55.378 -3.237 -12.102 1.00 0.00 C ATOM 266 O GLY A 558 54.419 -3.503 -11.403 1.00 0.00 O ATOM 0 H GLY A 558 53.136 -2.200 -13.048 1.00 0.00 H new ATOM 0 HA2 GLY A 558 55.108 -3.309 -14.246 1.00 0.00 H new ATOM 0 HA3 GLY A 558 56.063 -1.946 -13.696 1.00 0.00 H new ATOM 270 N ARG A 559 56.595 -3.502 -11.710 1.00 0.00 N ATOM 271 CA ARG A 559 56.819 -4.140 -10.384 1.00 0.00 C ATOM 272 C ARG A 559 56.290 -3.201 -9.302 1.00 0.00 C ATOM 273 O ARG A 559 56.091 -2.025 -9.540 1.00 0.00 O ATOM 274 CB ARG A 559 58.318 -4.380 -10.175 1.00 0.00 C ATOM 275 CG ARG A 559 58.712 -5.735 -10.772 1.00 0.00 C ATOM 276 CD ARG A 559 58.738 -6.797 -9.668 1.00 0.00 C ATOM 277 NE ARG A 559 58.686 -8.170 -10.273 1.00 0.00 N ATOM 278 CZ ARG A 559 57.744 -8.516 -11.114 1.00 0.00 C ATOM 279 NH1 ARG A 559 57.797 -9.681 -11.697 1.00 0.00 N ATOM 280 NH2 ARG A 559 56.731 -7.726 -11.339 1.00 0.00 N ATOM 0 H ARG A 559 57.439 -3.305 -12.248 1.00 0.00 H new ATOM 0 HA ARG A 559 56.300 -5.097 -10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 559 58.893 -3.583 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 559 58.555 -4.358 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 559 58.003 -6.021 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 559 59.691 -5.664 -11.245 1.00 0.00 H new ATOM 0 HD2 ARG A 559 59.642 -6.689 -9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 559 57.892 -6.655 -8.996 1.00 0.00 H new ATOM 0 HE ARG A 559 59.403 -8.851 -10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 559 58.569 -10.317 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 559 57.066 -9.957 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 559 56.667 -6.829 -10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 559 56.003 -8.005 -11.996 1.00 0.00 H new ATOM 294 N CYS A 560 56.051 -3.700 -8.122 1.00 0.00 N ATOM 295 CA CYS A 560 55.525 -2.817 -7.045 1.00 0.00 C ATOM 296 C CYS A 560 55.873 -3.394 -5.677 1.00 0.00 C ATOM 297 O CYS A 560 55.748 -4.580 -5.436 1.00 0.00 O ATOM 298 CB CYS A 560 54.005 -2.700 -7.182 1.00 0.00 C ATOM 299 SG CYS A 560 53.233 -4.289 -6.785 1.00 0.00 S ATOM 0 H CYS A 560 56.196 -4.674 -7.858 1.00 0.00 H new ATOM 0 HA CYS A 560 55.979 -1.830 -7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.629 -1.925 -6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.744 -2.401 -8.197 1.00 0.00 H new ATOM 0 HG CYS A 560 54.036 -4.987 -6.038 1.00 0.00 H new ATOM 305 N ILE A 561 56.307 -2.554 -4.780 1.00 0.00 N ATOM 306 CA ILE A 561 56.666 -3.029 -3.415 1.00 0.00 C ATOM 307 C ILE A 561 55.435 -2.945 -2.515 1.00 0.00 C ATOM 308 O ILE A 561 54.570 -2.114 -2.710 1.00 0.00 O ATOM 309 CB ILE A 561 57.775 -2.143 -2.835 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.761 -1.745 -3.946 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.516 -2.909 -1.736 1.00 0.00 C ATOM 312 CD1 ILE A 561 59.462 -2.988 -4.502 1.00 0.00 C ATOM 0 H ILE A 561 56.429 -1.553 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 561 57.017 -4.060 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 561 57.332 -1.241 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 561 58.230 -1.230 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.500 -1.047 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.305 -2.280 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.816 -3.179 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.956 -3.814 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 561 60.157 -2.693 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 561 60.009 -3.486 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.719 -3.671 -4.913 1.00 0.00 H new ATOM 324 N THR A 562 55.356 -3.795 -1.526 1.00 0.00 N ATOM 325 CA THR A 562 54.189 -3.766 -0.599 1.00 0.00 C ATOM 326 C THR A 562 54.702 -3.745 0.839 1.00 0.00 C ATOM 327 O THR A 562 55.173 -4.741 1.356 1.00 0.00 O ATOM 328 CB THR A 562 53.320 -5.007 -0.817 1.00 0.00 C ATOM 329 OG1 THR A 562 52.842 -5.018 -2.155 1.00 0.00 O ATOM 330 CG2 THR A 562 52.134 -4.982 0.150 1.00 0.00 C ATOM 0 H THR A 562 56.053 -4.511 -1.320 1.00 0.00 H new ATOM 0 HA THR A 562 53.589 -2.877 -0.792 1.00 0.00 H new ATOM 0 HB THR A 562 53.914 -5.902 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 562 52.287 -5.813 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.517 -5.867 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.501 -4.974 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.538 -4.087 -0.029 1.00 0.00 H new ATOM 338 N ALA A 563 54.617 -2.617 1.485 1.00 0.00 N ATOM 339 CA ALA A 563 55.100 -2.518 2.890 1.00 0.00 C ATOM 340 C ALA A 563 53.950 -2.857 3.840 1.00 0.00 C ATOM 341 O ALA A 563 53.294 -3.869 3.689 1.00 0.00 O ATOM 342 CB ALA A 563 55.601 -1.095 3.150 1.00 0.00 C ATOM 0 H ALA A 563 54.232 -1.755 1.099 1.00 0.00 H new ATOM 0 HA ALA A 563 55.918 -3.219 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 563 55.956 -1.016 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.418 -0.866 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 563 54.786 -0.388 2.992 1.00 0.00 H new ATOM 348 N MET A 564 53.694 -2.019 4.809 1.00 0.00 N ATOM 349 CA MET A 564 52.576 -2.286 5.757 1.00 0.00 C ATOM 350 C MET A 564 51.260 -2.037 5.025 1.00 0.00 C ATOM 351 O MET A 564 50.493 -1.161 5.376 1.00 0.00 O ATOM 352 CB MET A 564 52.681 -1.338 6.947 1.00 0.00 C ATOM 353 CG MET A 564 53.962 -1.632 7.729 1.00 0.00 C ATOM 354 SD MET A 564 54.023 -0.582 9.202 1.00 0.00 S ATOM 355 CE MET A 564 55.163 -1.603 10.167 1.00 0.00 C ATOM 0 H MET A 564 54.213 -1.159 4.984 1.00 0.00 H new ATOM 0 HA MET A 564 52.622 -3.315 6.115 1.00 0.00 H new ATOM 0 HB2 MET A 564 52.684 -0.304 6.602 1.00 0.00 H new ATOM 0 HB3 MET A 564 51.813 -1.455 7.595 1.00 0.00 H new ATOM 0 HG2 MET A 564 53.992 -2.683 8.017 1.00 0.00 H new ATOM 0 HG3 MET A 564 54.834 -1.448 7.102 1.00 0.00 H new ATOM 0 HE1 MET A 564 55.113 -1.312 11.216 1.00 0.00 H new ATOM 0 HE2 MET A 564 54.885 -2.652 10.068 1.00 0.00 H new ATOM 0 HE3 MET A 564 56.179 -1.461 9.799 1.00 0.00 H new ATOM 365 N ALA A 565 51.025 -2.785 3.984 1.00 0.00 N ATOM 366 CA ALA A 565 49.788 -2.604 3.167 1.00 0.00 C ATOM 367 C ALA A 565 49.982 -1.384 2.266 1.00 0.00 C ATOM 368 O ALA A 565 49.218 -1.143 1.350 1.00 0.00 O ATOM 369 CB ALA A 565 48.568 -2.399 4.075 1.00 0.00 C ATOM 0 H ALA A 565 51.646 -3.526 3.658 1.00 0.00 H new ATOM 0 HA ALA A 565 49.612 -3.494 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.676 -2.269 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.443 -3.270 4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 565 48.718 -1.512 4.691 1.00 0.00 H new ATOM 375 N LYS A 566 51.017 -0.621 2.519 1.00 0.00 N ATOM 376 CA LYS A 566 51.296 0.583 1.687 1.00 0.00 C ATOM 377 C LYS A 566 52.193 0.178 0.518 1.00 0.00 C ATOM 378 O LYS A 566 53.168 -0.527 0.691 1.00 0.00 O ATOM 379 CB LYS A 566 52.014 1.631 2.541 1.00 0.00 C ATOM 380 CG LYS A 566 51.010 2.685 3.014 1.00 0.00 C ATOM 381 CD LYS A 566 51.747 3.780 3.789 1.00 0.00 C ATOM 382 CE LYS A 566 52.248 3.219 5.123 1.00 0.00 C ATOM 383 NZ LYS A 566 53.705 2.920 5.021 1.00 0.00 N ATOM 0 H LYS A 566 51.684 -0.785 3.273 1.00 0.00 H new ATOM 0 HA LYS A 566 50.363 1.000 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 566 52.486 1.153 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 566 52.808 2.104 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 566 50.490 3.117 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.253 2.223 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 566 52.586 4.153 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.081 4.625 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.069 3.938 5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 566 51.697 2.314 5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 53.923 2.064 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 53.959 2.765 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 54.251 3.721 5.397 1.00 0.00 H new ATOM 397 N LYS A 567 51.869 0.610 -0.670 1.00 0.00 N ATOM 398 CA LYS A 567 52.699 0.240 -1.849 1.00 0.00 C ATOM 399 C LYS A 567 53.722 1.337 -2.125 1.00 0.00 C ATOM 400 O LYS A 567 53.677 2.400 -1.544 1.00 0.00 O ATOM 401 CB LYS A 567 51.795 0.056 -3.069 1.00 0.00 C ATOM 402 CG LYS A 567 51.172 -1.340 -3.031 1.00 0.00 C ATOM 403 CD LYS A 567 50.440 -1.540 -1.700 1.00 0.00 C ATOM 404 CE LYS A 567 49.428 -2.677 -1.838 1.00 0.00 C ATOM 405 NZ LYS A 567 49.131 -3.244 -0.492 1.00 0.00 N ATOM 0 H LYS A 567 51.065 1.203 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 567 53.225 -0.692 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.013 0.816 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.371 0.185 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.477 -1.462 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.946 -2.098 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.156 -1.770 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.932 -0.620 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.512 -2.309 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.824 -3.454 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.583 -4.176 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.500 -2.607 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.102 -3.345 -0.377 1.00 0.00 H new ATOM 419 N PHE A 568 54.646 1.076 -3.005 1.00 0.00 N ATOM 420 CA PHE A 568 55.692 2.088 -3.332 1.00 0.00 C ATOM 421 C PHE A 568 56.272 1.771 -4.705 1.00 0.00 C ATOM 422 O PHE A 568 56.570 0.629 -5.001 1.00 0.00 O ATOM 423 CB PHE A 568 56.840 1.994 -2.316 1.00 0.00 C ATOM 424 CG PHE A 568 56.427 2.547 -0.971 1.00 0.00 C ATOM 425 CD1 PHE A 568 55.897 1.691 0.005 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.592 3.908 -0.691 1.00 0.00 C ATOM 427 CE1 PHE A 568 55.531 2.198 1.257 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.224 4.415 0.562 1.00 0.00 C ATOM 429 CZ PHE A 568 55.694 3.560 1.535 1.00 0.00 C ATOM 0 H PHE A 568 54.724 0.197 -3.517 1.00 0.00 H new ATOM 0 HA PHE A 568 55.244 3.082 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.147 0.954 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.704 2.544 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 568 55.771 0.640 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 568 57.003 4.568 -1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.123 1.538 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 568 56.349 5.466 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 568 55.411 3.951 2.501 1.00 0.00 H new ATOM 439 N HIS A 569 56.478 2.760 -5.535 1.00 0.00 N ATOM 440 CA HIS A 569 57.092 2.468 -6.858 1.00 0.00 C ATOM 441 C HIS A 569 58.427 1.778 -6.573 1.00 0.00 C ATOM 442 O HIS A 569 59.164 2.211 -5.709 1.00 0.00 O ATOM 443 CB HIS A 569 57.357 3.768 -7.627 1.00 0.00 C ATOM 444 CG HIS A 569 56.114 4.218 -8.345 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.467 5.396 -8.014 1.00 0.00 N ATOM 446 CD2 HIS A 569 55.398 3.675 -9.384 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.411 5.528 -8.838 1.00 0.00 C ATOM 448 NE2 HIS A 569 54.324 4.505 -9.691 1.00 0.00 N ATOM 0 H HIS A 569 56.252 3.739 -5.357 1.00 0.00 H new ATOM 0 HA HIS A 569 56.429 1.847 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 569 57.687 4.545 -6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.163 3.615 -8.344 1.00 0.00 H new ATOM 0 HD2 HIS A 569 55.632 2.747 -9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 569 53.720 6.358 -8.812 1.00 0.00 H new ATOM 0 HE2 HIS A 569 53.620 4.362 -10.415 1.00 0.00 H new ATOM 456 N PRO A 570 58.738 0.713 -7.263 1.00 0.00 N ATOM 457 CA PRO A 570 60.019 -0.012 -7.026 1.00 0.00 C ATOM 458 C PRO A 570 61.233 0.926 -6.998 1.00 0.00 C ATOM 459 O PRO A 570 62.321 0.538 -6.620 1.00 0.00 O ATOM 460 CB PRO A 570 60.067 -0.965 -8.217 1.00 0.00 C ATOM 461 CG PRO A 570 58.649 -1.068 -8.790 1.00 0.00 C ATOM 462 CD PRO A 570 57.853 0.152 -8.317 1.00 0.00 C ATOM 0 HA PRO A 570 60.057 -0.510 -6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 570 60.759 -0.596 -8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 570 60.426 -1.946 -7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.680 -1.103 -9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 570 58.170 -1.988 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.680 0.863 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.876 -0.127 -7.923 1.00 0.00 H new ATOM 470 N GLU A 571 61.040 2.161 -7.380 1.00 0.00 N ATOM 471 CA GLU A 571 62.157 3.147 -7.367 1.00 0.00 C ATOM 472 C GLU A 571 61.896 4.203 -6.283 1.00 0.00 C ATOM 473 O GLU A 571 62.786 4.936 -5.897 1.00 0.00 O ATOM 474 CB GLU A 571 62.247 3.832 -8.733 1.00 0.00 C ATOM 475 CG GLU A 571 60.923 4.539 -9.039 1.00 0.00 C ATOM 476 CD GLU A 571 61.069 5.379 -10.310 1.00 0.00 C ATOM 477 OE1 GLU A 571 61.303 6.571 -10.184 1.00 0.00 O ATOM 478 OE2 GLU A 571 60.943 4.818 -11.386 1.00 0.00 O ATOM 0 H GLU A 571 60.146 2.531 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 571 63.094 2.632 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.065 4.552 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.466 3.096 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.128 3.804 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.637 5.176 -8.202 1.00 0.00 H new ATOM 485 N HIS A 572 60.682 4.285 -5.786 1.00 0.00 N ATOM 486 CA HIS A 572 60.372 5.295 -4.727 1.00 0.00 C ATOM 487 C HIS A 572 60.405 4.618 -3.359 1.00 0.00 C ATOM 488 O HIS A 572 60.454 5.271 -2.334 1.00 0.00 O ATOM 489 CB HIS A 572 58.992 5.916 -4.982 1.00 0.00 C ATOM 490 CG HIS A 572 59.054 6.704 -6.264 1.00 0.00 C ATOM 491 ND1 HIS A 572 57.926 7.053 -7.001 1.00 0.00 N ATOM 492 CD2 HIS A 572 60.124 7.215 -6.961 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.348 7.736 -8.082 1.00 0.00 C ATOM 494 NE2 HIS A 572 59.674 7.861 -8.104 1.00 0.00 N ATOM 0 H HIS A 572 59.897 3.698 -6.068 1.00 0.00 H new ATOM 0 HA HIS A 572 61.118 6.089 -4.751 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.233 5.137 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 572 58.708 6.564 -4.152 1.00 0.00 H new ATOM 0 HD2 HIS A 572 61.159 7.127 -6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 572 57.690 8.135 -8.840 1.00 0.00 H new ATOM 0 HE2 HIS A 572 60.239 8.332 -8.811 1.00 0.00 H new ATOM 502 N PHE A 573 60.412 3.312 -3.337 1.00 0.00 N ATOM 503 CA PHE A 573 60.481 2.587 -2.042 1.00 0.00 C ATOM 504 C PHE A 573 61.915 2.694 -1.536 1.00 0.00 C ATOM 505 O PHE A 573 62.751 1.863 -1.830 1.00 0.00 O ATOM 506 CB PHE A 573 60.118 1.117 -2.255 1.00 0.00 C ATOM 507 CG PHE A 573 60.139 0.384 -0.931 1.00 0.00 C ATOM 508 CD1 PHE A 573 60.976 -0.725 -0.759 1.00 0.00 C ATOM 509 CD2 PHE A 573 59.323 0.813 0.123 1.00 0.00 C ATOM 510 CE1 PHE A 573 60.996 -1.405 0.464 1.00 0.00 C ATOM 511 CE2 PHE A 573 59.344 0.134 1.347 1.00 0.00 C ATOM 512 CZ PHE A 573 60.180 -0.976 1.517 1.00 0.00 C ATOM 0 H PHE A 573 60.373 2.717 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 573 59.784 3.015 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.130 1.039 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.823 0.656 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 573 61.607 -1.056 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 573 58.677 1.668 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 573 61.641 -2.261 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 573 58.715 0.466 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.195 -1.501 2.461 1.00 0.00 H new ATOM 522 N VAL A 574 62.210 3.730 -0.808 1.00 0.00 N ATOM 523 CA VAL A 574 63.600 3.919 -0.307 1.00 0.00 C ATOM 524 C VAL A 574 63.670 3.644 1.197 1.00 0.00 C ATOM 525 O VAL A 574 62.668 3.440 1.855 1.00 0.00 O ATOM 526 CB VAL A 574 64.051 5.357 -0.586 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.002 5.630 -2.093 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.123 6.338 0.141 1.00 0.00 C ATOM 0 H VAL A 574 61.548 4.457 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 574 64.258 3.219 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 574 65.072 5.489 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.323 6.653 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.665 4.937 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 574 62.983 5.495 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 574 63.445 7.360 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.101 6.204 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.162 6.148 1.214 1.00 0.00 H new ATOM 538 N CYS A 575 64.860 3.637 1.735 1.00 0.00 N ATOM 539 CA CYS A 575 65.040 3.377 3.191 1.00 0.00 C ATOM 540 C CYS A 575 64.686 4.630 3.990 1.00 0.00 C ATOM 541 O CYS A 575 65.149 5.714 3.691 1.00 0.00 O ATOM 542 CB CYS A 575 66.504 3.016 3.448 1.00 0.00 C ATOM 543 SG CYS A 575 66.842 3.043 5.228 1.00 0.00 S ATOM 0 H CYS A 575 65.725 3.803 1.220 1.00 0.00 H new ATOM 0 HA CYS A 575 64.388 2.559 3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 575 66.720 2.028 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.157 3.721 2.934 1.00 0.00 H new ATOM 548 N ALA A 576 63.880 4.490 5.011 1.00 0.00 N ATOM 549 CA ALA A 576 63.509 5.676 5.842 1.00 0.00 C ATOM 550 C ALA A 576 64.718 6.105 6.689 1.00 0.00 C ATOM 551 O ALA A 576 64.592 6.436 7.854 1.00 0.00 O ATOM 552 CB ALA A 576 62.338 5.311 6.758 1.00 0.00 C ATOM 0 H ALA A 576 63.463 3.607 5.305 1.00 0.00 H new ATOM 0 HA ALA A 576 63.214 6.500 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 576 62.067 6.175 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 576 61.483 5.010 6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 576 62.629 4.488 7.410 1.00 0.00 H new ATOM 558 N PHE A 577 65.887 6.106 6.101 1.00 0.00 N ATOM 559 CA PHE A 577 67.120 6.513 6.837 1.00 0.00 C ATOM 560 C PHE A 577 68.065 7.195 5.852 1.00 0.00 C ATOM 561 O PHE A 577 68.381 8.362 5.979 1.00 0.00 O ATOM 562 CB PHE A 577 67.807 5.273 7.419 1.00 0.00 C ATOM 563 CG PHE A 577 68.659 5.666 8.604 1.00 0.00 C ATOM 564 CD1 PHE A 577 70.053 5.559 8.530 1.00 0.00 C ATOM 565 CD2 PHE A 577 68.056 6.134 9.779 1.00 0.00 C ATOM 566 CE1 PHE A 577 70.843 5.920 9.628 1.00 0.00 C ATOM 567 CE2 PHE A 577 68.846 6.495 10.876 1.00 0.00 C ATOM 568 CZ PHE A 577 70.240 6.388 10.801 1.00 0.00 C ATOM 0 H PHE A 577 66.040 5.838 5.129 1.00 0.00 H new ATOM 0 HA PHE A 577 66.862 7.193 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.059 4.542 7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 577 68.425 4.798 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 577 70.519 5.198 7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 577 66.981 6.216 9.838 1.00 0.00 H new ATOM 0 HE1 PHE A 577 71.918 5.837 9.570 1.00 0.00 H new ATOM 0 HE2 PHE A 577 68.380 6.856 11.781 1.00 0.00 H new ATOM 0 HZ PHE A 577 70.850 6.666 11.648 1.00 0.00 H new ATOM 578 N CYS A 578 68.504 6.467 4.860 1.00 0.00 N ATOM 579 CA CYS A 578 69.420 7.051 3.839 1.00 0.00 C ATOM 580 C CYS A 578 68.592 7.490 2.629 1.00 0.00 C ATOM 581 O CYS A 578 69.019 8.307 1.835 1.00 0.00 O ATOM 582 CB CYS A 578 70.447 6.000 3.411 1.00 0.00 C ATOM 583 SG CYS A 578 69.626 4.401 3.200 1.00 0.00 S ATOM 0 H CYS A 578 68.265 5.486 4.713 1.00 0.00 H new ATOM 0 HA CYS A 578 69.945 7.910 4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 578 70.924 6.301 2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.235 5.920 4.160 1.00 0.00 H new ATOM 588 N LEU A 579 67.404 6.955 2.498 1.00 0.00 N ATOM 589 CA LEU A 579 66.511 7.325 1.357 1.00 0.00 C ATOM 590 C LEU A 579 67.235 7.123 0.021 1.00 0.00 C ATOM 591 O LEU A 579 66.850 7.678 -0.991 1.00 0.00 O ATOM 592 CB LEU A 579 66.082 8.792 1.493 1.00 0.00 C ATOM 593 CG LEU A 579 65.336 8.991 2.819 1.00 0.00 C ATOM 594 CD1 LEU A 579 66.267 9.648 3.841 1.00 0.00 C ATOM 595 CD2 LEU A 579 64.117 9.889 2.590 1.00 0.00 C ATOM 0 H LEU A 579 67.010 6.269 3.142 1.00 0.00 H new ATOM 0 HA LEU A 579 65.631 6.682 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 579 66.956 9.442 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.440 9.072 0.658 1.00 0.00 H new ATOM 0 HG LEU A 579 65.010 8.022 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 579 65.734 9.788 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 579 67.134 9.009 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 579 66.597 10.616 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 579 63.587 10.030 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 579 64.444 10.856 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 579 63.451 9.420 1.866 1.00 0.00 H new ATOM 607 N LYS A 580 68.272 6.328 0.005 1.00 0.00 N ATOM 608 CA LYS A 580 69.009 6.088 -1.271 1.00 0.00 C ATOM 609 C LYS A 580 68.148 5.213 -2.188 1.00 0.00 C ATOM 610 O LYS A 580 67.882 5.556 -3.324 1.00 0.00 O ATOM 611 CB LYS A 580 70.340 5.384 -0.971 1.00 0.00 C ATOM 612 CG LYS A 580 70.080 4.033 -0.291 1.00 0.00 C ATOM 613 CD LYS A 580 71.348 3.558 0.426 1.00 0.00 C ATOM 614 CE LYS A 580 71.733 2.165 -0.080 1.00 0.00 C ATOM 615 NZ LYS A 580 72.158 2.254 -1.506 1.00 0.00 N ATOM 0 H LYS A 580 68.640 5.835 0.819 1.00 0.00 H new ATOM 0 HA LYS A 580 69.215 7.038 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 580 70.897 5.233 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 580 70.955 6.012 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.262 4.127 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.773 3.296 -1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.163 4.259 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.181 3.531 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.541 1.757 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.887 1.485 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.768 1.444 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.319 2.242 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.684 3.138 -1.657 1.00 0.00 H new ATOM 629 N GLN A 581 67.709 4.089 -1.689 1.00 0.00 N ATOM 630 CA GLN A 581 66.858 3.167 -2.490 1.00 0.00 C ATOM 631 C GLN A 581 66.522 1.967 -1.613 1.00 0.00 C ATOM 632 O GLN A 581 67.192 1.710 -0.631 1.00 0.00 O ATOM 633 CB GLN A 581 67.614 2.694 -3.738 1.00 0.00 C ATOM 634 CG GLN A 581 66.707 2.813 -4.968 1.00 0.00 C ATOM 635 CD GLN A 581 66.404 1.421 -5.522 1.00 0.00 C ATOM 636 OE1 GLN A 581 65.338 0.795 -5.113 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 67.143 0.900 -6.333 1.00 0.00 N flip ATOM 0 H GLN A 581 67.909 3.767 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 581 65.951 3.679 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.514 3.293 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.936 1.660 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.779 3.318 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.192 3.421 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 581 67.978 1.392 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 581 66.929 -0.029 -6.695 1.00 0.00 H new ATOM 646 N LEU A 582 65.495 1.234 -1.938 1.00 0.00 N ATOM 647 CA LEU A 582 65.144 0.066 -1.087 1.00 0.00 C ATOM 648 C LEU A 582 64.279 -0.927 -1.864 1.00 0.00 C ATOM 649 O LEU A 582 63.627 -0.582 -2.831 1.00 0.00 O ATOM 650 CB LEU A 582 64.384 0.562 0.147 1.00 0.00 C ATOM 651 CG LEU A 582 64.627 -0.386 1.316 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.068 -0.242 1.808 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.660 -0.045 2.452 1.00 0.00 C ATOM 0 H LEU A 582 64.891 1.390 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 582 66.058 -0.443 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.712 1.568 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.317 0.621 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 582 64.462 -1.413 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.237 -0.921 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.755 -0.485 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.240 0.784 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.830 -0.721 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 582 63.826 0.983 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.634 -0.154 2.101 1.00 0.00 H new ATOM 665 N ASN A 583 64.277 -2.162 -1.436 1.00 0.00 N ATOM 666 CA ASN A 583 63.467 -3.205 -2.120 1.00 0.00 C ATOM 667 C ASN A 583 62.985 -4.222 -1.082 1.00 0.00 C ATOM 668 O ASN A 583 63.763 -4.745 -0.307 1.00 0.00 O ATOM 669 CB ASN A 583 64.328 -3.912 -3.172 1.00 0.00 C ATOM 670 CG ASN A 583 65.540 -4.560 -2.498 1.00 0.00 C ATOM 671 OD1 ASN A 583 65.582 -5.762 -2.323 1.00 0.00 O ATOM 672 ND2 ASN A 583 66.534 -3.811 -2.107 1.00 0.00 N ATOM 0 H ASN A 583 64.810 -2.493 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 583 62.609 -2.745 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 583 63.739 -4.670 -3.688 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.658 -3.197 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 583 67.345 -4.234 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 583 66.501 -2.802 -2.253 1.00 0.00 H new ATOM 679 N LYS A 584 61.709 -4.503 -1.062 1.00 0.00 N ATOM 680 CA LYS A 584 61.163 -5.488 -0.079 1.00 0.00 C ATOM 681 C LYS A 584 61.967 -6.792 -0.158 1.00 0.00 C ATOM 682 O LYS A 584 62.055 -7.540 0.797 1.00 0.00 O ATOM 683 CB LYS A 584 59.688 -5.757 -0.420 1.00 0.00 C ATOM 684 CG LYS A 584 59.217 -7.078 0.206 1.00 0.00 C ATOM 685 CD LYS A 584 59.197 -6.955 1.733 1.00 0.00 C ATOM 686 CE LYS A 584 58.145 -5.925 2.155 1.00 0.00 C ATOM 687 NZ LYS A 584 57.652 -6.248 3.524 1.00 0.00 N ATOM 0 H LYS A 584 61.017 -4.091 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 584 61.239 -5.090 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 584 59.070 -4.936 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 584 59.561 -5.796 -1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 584 58.222 -7.329 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 584 59.881 -7.889 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.973 -7.923 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 584 60.180 -6.655 2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 584 58.575 -4.923 2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.315 -5.927 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.733 -5.787 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.544 -7.278 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 58.335 -5.905 4.229 1.00 0.00 H new ATOM 701 N GLY A 585 62.545 -7.065 -1.296 1.00 0.00 N ATOM 702 CA GLY A 585 63.336 -8.317 -1.469 1.00 0.00 C ATOM 703 C GLY A 585 64.461 -8.406 -0.433 1.00 0.00 C ATOM 704 O GLY A 585 64.848 -9.487 -0.033 1.00 0.00 O ATOM 0 H GLY A 585 62.502 -6.468 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 585 62.680 -9.182 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 585 63.759 -8.348 -2.473 1.00 0.00 H new ATOM 708 N THR A 586 65.004 -7.293 -0.004 1.00 0.00 N ATOM 709 CA THR A 586 66.118 -7.355 0.993 1.00 0.00 C ATOM 710 C THR A 586 66.070 -6.153 1.942 1.00 0.00 C ATOM 711 O THR A 586 67.095 -5.679 2.396 1.00 0.00 O ATOM 712 CB THR A 586 67.462 -7.355 0.252 1.00 0.00 C ATOM 713 OG1 THR A 586 67.577 -6.164 -0.514 1.00 0.00 O ATOM 714 CG2 THR A 586 67.544 -8.570 -0.675 1.00 0.00 C ATOM 0 H THR A 586 64.729 -6.355 -0.296 1.00 0.00 H new ATOM 0 HA THR A 586 66.008 -8.268 1.578 1.00 0.00 H new ATOM 0 HB THR A 586 68.274 -7.404 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 586 66.868 -6.140 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 586 68.500 -8.565 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 586 67.458 -9.483 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 586 66.733 -8.529 -1.402 1.00 0.00 H new ATOM 722 N PHE A 587 64.903 -5.658 2.263 1.00 0.00 N ATOM 723 CA PHE A 587 64.834 -4.496 3.197 1.00 0.00 C ATOM 724 C PHE A 587 64.476 -4.982 4.600 1.00 0.00 C ATOM 725 O PHE A 587 64.235 -6.149 4.834 1.00 0.00 O ATOM 726 CB PHE A 587 63.774 -3.483 2.722 1.00 0.00 C ATOM 727 CG PHE A 587 62.473 -3.680 3.479 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.917 -2.616 4.200 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.830 -4.924 3.463 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.720 -2.796 4.904 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.633 -5.103 4.167 1.00 0.00 C ATOM 732 CZ PHE A 587 60.079 -4.039 4.887 1.00 0.00 C ATOM 0 H PHE A 587 64.005 -6.003 1.924 1.00 0.00 H new ATOM 0 HA PHE A 587 65.808 -4.007 3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.139 -2.467 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.601 -3.603 1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.412 -1.656 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.258 -5.746 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.292 -1.975 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.137 -6.062 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.156 -4.178 5.430 1.00 0.00 H new ATOM 742 N LYS A 588 64.420 -4.066 5.518 1.00 0.00 N ATOM 743 CA LYS A 588 64.054 -4.388 6.922 1.00 0.00 C ATOM 744 C LYS A 588 63.198 -3.232 7.438 1.00 0.00 C ATOM 745 O LYS A 588 63.125 -2.193 6.812 1.00 0.00 O ATOM 746 CB LYS A 588 65.323 -4.516 7.772 1.00 0.00 C ATOM 747 CG LYS A 588 65.954 -5.900 7.580 1.00 0.00 C ATOM 748 CD LYS A 588 65.109 -6.961 8.298 1.00 0.00 C ATOM 749 CE LYS A 588 64.483 -7.904 7.270 1.00 0.00 C ATOM 750 NZ LYS A 588 63.864 -9.064 7.972 1.00 0.00 N ATOM 0 H LYS A 588 64.618 -3.080 5.350 1.00 0.00 H new ATOM 0 HA LYS A 588 63.509 -5.331 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 588 66.037 -3.741 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 588 65.082 -4.361 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 588 66.022 -6.134 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.970 -5.904 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 588 65.731 -7.526 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.328 -6.480 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 588 63.730 -7.375 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 588 65.243 -8.252 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 63.438 -9.706 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 64.593 -9.573 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 63.128 -8.723 8.623 1.00 0.00 H new ATOM 764 N GLU A 589 62.544 -3.384 8.555 1.00 0.00 N ATOM 765 CA GLU A 589 61.702 -2.266 9.062 1.00 0.00 C ATOM 766 C GLU A 589 61.891 -2.099 10.569 1.00 0.00 C ATOM 767 O GLU A 589 62.164 -3.041 11.289 1.00 0.00 O ATOM 768 CB GLU A 589 60.226 -2.544 8.749 1.00 0.00 C ATOM 769 CG GLU A 589 59.599 -3.390 9.862 1.00 0.00 C ATOM 770 CD GLU A 589 58.385 -4.143 9.313 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.278 -3.796 9.687 1.00 0.00 O ATOM 772 OE2 GLU A 589 58.584 -5.054 8.525 1.00 0.00 O ATOM 0 H GLU A 589 62.555 -4.224 9.133 1.00 0.00 H new ATOM 0 HA GLU A 589 62.008 -1.344 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.685 -1.603 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.141 -3.064 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.332 -4.096 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.298 -2.751 10.692 1.00 0.00 H new ATOM 779 N GLN A 590 61.739 -0.896 11.039 1.00 0.00 N ATOM 780 CA GLN A 590 61.889 -0.616 12.489 1.00 0.00 C ATOM 781 C GLN A 590 61.061 0.622 12.822 1.00 0.00 C ATOM 782 O GLN A 590 60.918 1.512 12.011 1.00 0.00 O ATOM 783 CB GLN A 590 63.362 -0.348 12.808 1.00 0.00 C ATOM 784 CG GLN A 590 63.580 -0.390 14.323 1.00 0.00 C ATOM 785 CD GLN A 590 63.520 -1.838 14.816 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.047 -2.782 14.089 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 62.988 -2.111 15.873 1.00 0.00 N flip ATOM 0 H GLN A 590 61.513 -0.081 10.469 1.00 0.00 H new ATOM 0 HA GLN A 590 61.549 -1.468 13.077 1.00 0.00 H new ATOM 0 HB2 GLN A 590 63.991 -1.093 12.320 1.00 0.00 H new ATOM 0 HB3 GLN A 590 63.657 0.625 12.416 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.546 0.049 14.573 1.00 0.00 H new ATOM 0 HG3 GLN A 590 62.819 0.207 14.826 1.00 0.00 H new ATOM 0 HE21 GLN A 590 62.575 -1.372 16.442 1.00 0.00 H new ATOM 0 HE22 GLN A 590 62.954 -3.079 16.192 1.00 0.00 H new ATOM 796 N ASN A 591 60.515 0.688 14.003 1.00 0.00 N ATOM 797 CA ASN A 591 59.700 1.878 14.386 1.00 0.00 C ATOM 798 C ASN A 591 58.589 2.127 13.352 1.00 0.00 C ATOM 799 O ASN A 591 58.068 3.221 13.253 1.00 0.00 O ATOM 800 CB ASN A 591 60.609 3.109 14.467 1.00 0.00 C ATOM 801 CG ASN A 591 61.413 3.071 15.768 1.00 0.00 C ATOM 802 OD1 ASN A 591 60.852 3.102 16.845 1.00 0.00 O ATOM 803 ND2 ASN A 591 62.713 3.004 15.713 1.00 0.00 N ATOM 0 H ASN A 591 60.597 -0.031 14.722 1.00 0.00 H new ATOM 0 HA ASN A 591 59.238 1.692 15.356 1.00 0.00 H new ATOM 0 HB2 ASN A 591 61.284 3.132 13.611 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.010 4.019 14.425 1.00 0.00 H new ATOM 0 HD21 ASN A 591 63.259 2.978 16.574 1.00 0.00 H new ATOM 0 HD22 ASN A 591 63.185 2.978 14.809 1.00 0.00 H new ATOM 810 N ASP A 592 58.220 1.121 12.590 1.00 0.00 N ATOM 811 CA ASP A 592 57.134 1.290 11.568 1.00 0.00 C ATOM 812 C ASP A 592 57.670 2.013 10.326 1.00 0.00 C ATOM 813 O ASP A 592 56.965 2.771 9.688 1.00 0.00 O ATOM 814 CB ASP A 592 55.981 2.107 12.166 1.00 0.00 C ATOM 815 CG ASP A 592 54.656 1.679 11.529 1.00 0.00 C ATOM 816 OD1 ASP A 592 54.003 0.816 12.093 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.317 2.222 10.491 1.00 0.00 O ATOM 0 H ASP A 592 58.626 0.186 12.633 1.00 0.00 H new ATOM 0 HA ASP A 592 56.777 0.302 11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 592 55.940 1.960 13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 592 56.150 3.170 11.996 1.00 0.00 H new ATOM 822 N LYS A 593 58.906 1.786 9.971 1.00 0.00 N ATOM 823 CA LYS A 593 59.471 2.461 8.766 1.00 0.00 C ATOM 824 C LYS A 593 60.495 1.532 8.103 1.00 0.00 C ATOM 825 O LYS A 593 61.087 0.696 8.755 1.00 0.00 O ATOM 826 CB LYS A 593 60.139 3.795 9.152 1.00 0.00 C ATOM 827 CG LYS A 593 60.194 3.968 10.679 1.00 0.00 C ATOM 828 CD LYS A 593 60.164 5.459 11.031 1.00 0.00 C ATOM 829 CE LYS A 593 58.765 6.032 10.773 1.00 0.00 C ATOM 830 NZ LYS A 593 57.730 5.108 11.322 1.00 0.00 N ATOM 0 H LYS A 593 59.548 1.164 10.462 1.00 0.00 H new ATOM 0 HA LYS A 593 58.663 2.676 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.149 3.831 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 593 59.586 4.623 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 593 59.350 3.458 11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.100 3.509 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 593 60.436 5.599 12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 593 60.902 5.997 10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 593 58.673 7.013 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 593 58.611 6.171 9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 56.909 5.659 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 57.430 4.443 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 58.128 4.577 12.123 1.00 0.00 H new ATOM 844 N PRO A 594 60.689 1.666 6.810 1.00 0.00 N ATOM 845 CA PRO A 594 61.648 0.800 6.061 1.00 0.00 C ATOM 846 C PRO A 594 63.107 1.092 6.388 1.00 0.00 C ATOM 847 O PRO A 594 63.466 2.181 6.791 1.00 0.00 O ATOM 848 CB PRO A 594 61.355 1.180 4.616 1.00 0.00 C ATOM 849 CG PRO A 594 60.666 2.542 4.636 1.00 0.00 C ATOM 850 CD PRO A 594 59.976 2.688 5.996 1.00 0.00 C ATOM 0 HA PRO A 594 61.521 -0.255 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.277 1.224 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.717 0.433 4.144 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.392 3.341 4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 594 59.939 2.616 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.091 3.691 6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 594 58.906 2.489 5.935 1.00 0.00 H new ATOM 858 N TYR A 595 63.939 0.115 6.195 1.00 0.00 N ATOM 859 CA TYR A 595 65.393 0.269 6.464 1.00 0.00 C ATOM 860 C TYR A 595 66.128 -0.836 5.713 1.00 0.00 C ATOM 861 O TYR A 595 65.834 -2.001 5.890 1.00 0.00 O ATOM 862 CB TYR A 595 65.662 0.111 7.965 1.00 0.00 C ATOM 863 CG TYR A 595 65.125 1.305 8.717 1.00 0.00 C ATOM 864 CD1 TYR A 595 63.981 1.173 9.512 1.00 0.00 C ATOM 865 CD2 TYR A 595 65.768 2.543 8.618 1.00 0.00 C ATOM 866 CE1 TYR A 595 63.481 2.278 10.205 1.00 0.00 C ATOM 867 CE2 TYR A 595 65.266 3.649 9.314 1.00 0.00 C ATOM 868 CZ TYR A 595 64.122 3.516 10.107 1.00 0.00 C ATOM 869 OH TYR A 595 63.627 4.607 10.791 1.00 0.00 O ATOM 0 H TYR A 595 63.667 -0.807 5.854 1.00 0.00 H new ATOM 0 HA TYR A 595 65.732 1.253 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.192 -0.801 8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 595 66.733 0.012 8.142 1.00 0.00 H new ATOM 0 HD1 TYR A 595 63.485 0.217 9.590 1.00 0.00 H new ATOM 0 HD2 TYR A 595 66.651 2.646 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 595 62.597 2.175 10.818 1.00 0.00 H new ATOM 0 HE2 TYR A 595 65.762 4.605 9.238 1.00 0.00 H new ATOM 0 HH TYR A 595 64.192 5.388 10.614 1.00 0.00 H new ATOM 879 N CYS A 596 67.078 -0.501 4.881 1.00 0.00 N ATOM 880 CA CYS A 596 67.809 -1.570 4.143 1.00 0.00 C ATOM 881 C CYS A 596 68.324 -2.584 5.156 1.00 0.00 C ATOM 882 O CYS A 596 68.709 -2.232 6.252 1.00 0.00 O ATOM 883 CB CYS A 596 68.996 -0.978 3.374 1.00 0.00 C ATOM 884 SG CYS A 596 68.677 0.758 2.977 1.00 0.00 S ATOM 0 H CYS A 596 67.376 0.454 4.682 1.00 0.00 H new ATOM 0 HA CYS A 596 67.135 -2.044 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.904 -1.062 3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.164 -1.544 2.458 1.00 0.00 H new ATOM 889 N GLN A 597 68.337 -3.836 4.803 1.00 0.00 N ATOM 890 CA GLN A 597 68.837 -4.868 5.751 1.00 0.00 C ATOM 891 C GLN A 597 70.193 -4.403 6.285 1.00 0.00 C ATOM 892 O GLN A 597 70.503 -4.564 7.447 1.00 0.00 O ATOM 893 CB GLN A 597 68.959 -6.200 5.001 1.00 0.00 C ATOM 894 CG GLN A 597 70.260 -6.930 5.366 1.00 0.00 C ATOM 895 CD GLN A 597 70.265 -7.300 6.855 1.00 0.00 C ATOM 896 OE1 GLN A 597 69.160 -7.224 7.546 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 71.290 -7.663 7.396 1.00 0.00 N flip ATOM 0 H GLN A 597 68.023 -4.190 3.899 1.00 0.00 H new ATOM 0 HA GLN A 597 68.156 -5.007 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 597 68.105 -6.834 5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.931 -6.019 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 597 70.361 -7.831 4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 597 71.117 -6.295 5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 597 72.156 -7.724 6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 597 71.285 -7.907 8.386 1.00 0.00 H new ATOM 906 N ASN A 598 70.983 -3.792 5.442 1.00 0.00 N ATOM 907 CA ASN A 598 72.305 -3.274 5.889 1.00 0.00 C ATOM 908 C ASN A 598 72.059 -2.153 6.899 1.00 0.00 C ATOM 909 O ASN A 598 72.736 -2.046 7.901 1.00 0.00 O ATOM 910 CB ASN A 598 73.087 -2.751 4.673 1.00 0.00 C ATOM 911 CG ASN A 598 72.902 -1.239 4.524 1.00 0.00 C ATOM 912 OD1 ASN A 598 73.469 -0.442 5.386 1.00 0.00 O flip ATOM 913 ND2 ASN A 598 72.237 -0.780 3.617 1.00 0.00 N flip ATOM 0 H ASN A 598 70.766 -3.630 4.459 1.00 0.00 H new ATOM 0 HA ASN A 598 72.893 -4.063 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 598 74.146 -2.984 4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.745 -3.256 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 598 71.794 -1.404 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 598 72.122 0.230 3.529 1.00 0.00 H new ATOM 920 N CYS A 599 71.070 -1.336 6.646 1.00 0.00 N ATOM 921 CA CYS A 599 70.741 -0.234 7.594 1.00 0.00 C ATOM 922 C CYS A 599 70.212 -0.866 8.879 1.00 0.00 C ATOM 923 O CYS A 599 70.788 -0.712 9.928 1.00 0.00 O ATOM 924 CB CYS A 599 69.668 0.678 6.990 1.00 0.00 C ATOM 925 SG CYS A 599 70.452 1.979 6.004 1.00 0.00 S ATOM 0 H CYS A 599 70.474 -1.386 5.820 1.00 0.00 H new ATOM 0 HA CYS A 599 71.628 0.366 7.797 1.00 0.00 H new ATOM 0 HB2 CYS A 599 68.991 0.094 6.366 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.067 1.123 7.783 1.00 0.00 H new ATOM 930 N PHE A 600 69.134 -1.608 8.789 1.00 0.00 N ATOM 931 CA PHE A 600 68.576 -2.291 9.998 1.00 0.00 C ATOM 932 C PHE A 600 69.723 -3.000 10.714 1.00 0.00 C ATOM 933 O PHE A 600 69.883 -2.907 11.914 1.00 0.00 O ATOM 934 CB PHE A 600 67.529 -3.312 9.538 1.00 0.00 C ATOM 935 CG PHE A 600 67.199 -4.282 10.651 1.00 0.00 C ATOM 936 CD1 PHE A 600 67.999 -5.416 10.852 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.088 -4.057 11.473 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.688 -6.321 11.872 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.779 -4.963 12.495 1.00 0.00 C ATOM 940 CZ PHE A 600 66.578 -6.095 12.694 1.00 0.00 C ATOM 0 H PHE A 600 68.615 -1.770 7.926 1.00 0.00 H new ATOM 0 HA PHE A 600 68.108 -1.577 10.675 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.624 -2.794 9.221 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.903 -3.858 8.672 1.00 0.00 H new ATOM 0 HD1 PHE A 600 68.856 -5.591 10.219 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.470 -3.185 11.319 1.00 0.00 H new ATOM 0 HE1 PHE A 600 68.305 -7.194 12.025 1.00 0.00 H new ATOM 0 HE2 PHE A 600 64.923 -4.788 13.130 1.00 0.00 H new ATOM 0 HZ PHE A 600 66.338 -6.794 13.482 1.00 0.00 H new ATOM 950 N LEU A 601 70.539 -3.682 9.962 1.00 0.00 N ATOM 951 CA LEU A 601 71.713 -4.382 10.544 1.00 0.00 C ATOM 952 C LEU A 601 72.602 -3.335 11.228 1.00 0.00 C ATOM 953 O LEU A 601 73.330 -3.622 12.156 1.00 0.00 O ATOM 954 CB LEU A 601 72.468 -5.058 9.398 1.00 0.00 C ATOM 955 CG LEU A 601 73.757 -5.705 9.903 1.00 0.00 C ATOM 956 CD1 LEU A 601 73.425 -7.016 10.621 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.664 -5.989 8.705 1.00 0.00 C ATOM 0 H LEU A 601 70.439 -3.785 8.952 1.00 0.00 H new ATOM 0 HA LEU A 601 71.415 -5.132 11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.834 -5.814 8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.702 -4.323 8.628 1.00 0.00 H new ATOM 0 HG LEU A 601 74.262 -5.036 10.600 1.00 0.00 H new ATOM 0 HD11 LEU A 601 74.345 -7.477 10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.767 -6.812 11.466 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.926 -7.694 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.589 -6.451 9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 601 74.156 -6.664 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.895 -5.054 8.194 1.00 0.00 H new ATOM 969 N LYS A 602 72.525 -2.119 10.762 1.00 0.00 N ATOM 970 CA LYS A 602 73.328 -1.006 11.344 1.00 0.00 C ATOM 971 C LYS A 602 72.551 -0.344 12.488 1.00 0.00 C ATOM 972 O LYS A 602 73.121 0.069 13.478 1.00 0.00 O ATOM 973 CB LYS A 602 73.580 0.035 10.250 1.00 0.00 C ATOM 974 CG LYS A 602 75.018 0.544 10.332 1.00 0.00 C ATOM 975 CD LYS A 602 75.979 -0.514 9.774 1.00 0.00 C ATOM 976 CE LYS A 602 75.912 -0.521 8.244 1.00 0.00 C ATOM 977 NZ LYS A 602 77.189 -1.057 7.694 1.00 0.00 N ATOM 0 H LYS A 602 71.925 -1.844 9.984 1.00 0.00 H new ATOM 0 HA LYS A 602 74.270 -1.397 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.397 -0.405 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 602 72.884 0.867 10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.117 1.472 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.274 0.771 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 602 76.997 -0.303 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.717 -1.498 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.074 -1.132 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 602 75.739 0.489 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.144 -1.062 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 77.980 -0.456 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.335 -2.027 8.039 1.00 0.00 H new ATOM 991 N LEU A 603 71.256 -0.221 12.347 1.00 0.00 N ATOM 992 CA LEU A 603 70.439 0.429 13.412 1.00 0.00 C ATOM 993 C LEU A 603 70.074 -0.598 14.484 1.00 0.00 C ATOM 994 O LEU A 603 70.341 -0.412 15.655 1.00 0.00 O ATOM 995 CB LEU A 603 69.145 0.996 12.809 1.00 0.00 C ATOM 996 CG LEU A 603 69.392 1.551 11.401 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.124 2.245 10.900 1.00 0.00 C ATOM 998 CD2 LEU A 603 70.546 2.560 11.422 1.00 0.00 C ATOM 0 H LEU A 603 70.729 -0.545 11.536 1.00 0.00 H new ATOM 0 HA LEU A 603 71.022 1.236 13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.386 0.215 12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 603 68.755 1.785 13.452 1.00 0.00 H new ATOM 0 HG LEU A 603 69.653 0.727 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.297 2.641 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.304 1.527 10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 603 67.866 3.062 11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 603 70.710 2.946 10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 603 70.297 3.384 12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.453 2.068 11.775 1.00 0.00 H new ATOM 1010 N PHE A 604 69.453 -1.674 14.086 1.00 0.00 N ATOM 1011 CA PHE A 604 69.046 -2.720 15.066 1.00 0.00 C ATOM 1012 C PHE A 604 70.274 -3.494 15.551 1.00 0.00 C ATOM 1013 O PHE A 604 70.240 -4.138 16.582 1.00 0.00 O ATOM 1014 CB PHE A 604 68.069 -3.688 14.394 1.00 0.00 C ATOM 1015 CG PHE A 604 67.213 -4.355 15.446 1.00 0.00 C ATOM 1016 CD1 PHE A 604 67.457 -5.686 15.808 1.00 0.00 C ATOM 1017 CD2 PHE A 604 66.174 -3.643 16.059 1.00 0.00 C ATOM 1018 CE1 PHE A 604 66.663 -6.304 16.782 1.00 0.00 C ATOM 1019 CE2 PHE A 604 65.380 -4.261 17.032 1.00 0.00 C ATOM 1020 CZ PHE A 604 65.624 -5.591 17.394 1.00 0.00 C ATOM 0 H PHE A 604 69.208 -1.875 13.116 1.00 0.00 H new ATOM 0 HA PHE A 604 68.567 -2.242 15.920 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.439 -3.151 13.685 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.618 -4.440 13.827 1.00 0.00 H new ATOM 0 HD1 PHE A 604 68.258 -6.236 15.336 1.00 0.00 H new ATOM 0 HD2 PHE A 604 65.985 -2.617 15.781 1.00 0.00 H new ATOM 0 HE1 PHE A 604 66.852 -7.330 17.061 1.00 0.00 H new ATOM 0 HE2 PHE A 604 64.579 -3.711 17.504 1.00 0.00 H new ATOM 0 HZ PHE A 604 65.011 -6.067 18.145 1.00 0.00 H new ATOM 1030 N CYS A 605 71.355 -3.443 14.818 1.00 0.00 N ATOM 1031 CA CYS A 605 72.580 -4.185 15.243 1.00 0.00 C ATOM 1032 C CYS A 605 73.831 -3.379 14.872 1.00 0.00 C ATOM 1033 O CYS A 605 73.719 -2.171 14.755 1.00 0.00 O ATOM 1034 CB CYS A 605 72.609 -5.551 14.548 1.00 0.00 C ATOM 1035 SG CYS A 605 73.593 -6.708 15.534 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.882 -3.981 14.718 1.00 0.00 O ATOM 0 H CYS A 605 71.443 -2.921 13.946 1.00 0.00 H new ATOM 0 HA CYS A 605 72.564 -4.330 16.323 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.595 -5.931 14.427 1.00 0.00 H new ATOM 0 HB3 CYS A 605 73.035 -5.454 13.549 1.00 0.00 H new ATOM 0 HG CYS A 605 73.617 -7.868 14.947 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 56.015 6.655 -6.563 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 68.925 2.558 4.383 1.00 0.00 ZN