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 598 ASN : amide:sc=-0.00924 X(o=-0.018,f=-0.047) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -171:sc=-0.00884 (180deg=0) USER MOD Set 2.1: A 583 ASN :FLIP amide:sc= 0.588 F(o=0.8,f=1.4) USER MOD Set 2.2: A 586 THR OG1 : rot -50:sc= 0.799 USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -0.738 K(o=-0.74,f=-3.2) USER MOD Single : A 547 SER OG : rot 170:sc= -0.267 USER MOD Single : A 550 SER OG : rot -60:sc= -0.152 USER MOD Single : A 553 GLN :FLIP amide:sc= -2.27 F(o=-5.2!,f=-2.3) USER MOD Single : A 554 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0433) USER MOD Single : A 557 THR OG1 : rot 45:sc= 0.632 USER MOD Single : A 560 CYS SG : rot 22:sc= 0.945 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl 173:sc=-0.00352 (180deg=-0.0721) USER MOD Single : A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -111:sc= -0.261 (180deg=-2.53!) USER MOD Single : A 580 LYS NZ :NH3+ 155:sc= -0.0162 (180deg=-0.222) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -131:sc= 0.0767 (180deg=-1.24!) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.544 F(o=-2.7,f=-0.54) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 593 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.749) USER MOD Single : A 595 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -1.94! C(o=-4.1!,f=-1.9!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0551 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 44.024 1.938 -20.384 1.00 0.00 N ATOM 2 CA TYR A 541 43.847 2.508 -19.018 1.00 0.00 C ATOM 3 C TYR A 541 44.604 1.648 -18.003 1.00 0.00 C ATOM 4 O TYR A 541 44.947 0.513 -18.271 1.00 0.00 O ATOM 5 CB TYR A 541 42.357 2.526 -18.661 1.00 0.00 C ATOM 6 CG TYR A 541 41.634 3.507 -19.555 1.00 0.00 C ATOM 7 CD1 TYR A 541 41.002 3.058 -20.722 1.00 0.00 C ATOM 8 CD2 TYR A 541 41.597 4.866 -19.218 1.00 0.00 C ATOM 9 CE1 TYR A 541 40.333 3.967 -21.550 1.00 0.00 C ATOM 10 CE2 TYR A 541 40.927 5.774 -20.047 1.00 0.00 C ATOM 11 CZ TYR A 541 40.296 5.325 -21.212 1.00 0.00 C ATOM 12 OH TYR A 541 39.636 6.220 -22.028 1.00 0.00 O ATOM 0 HA TYR A 541 44.239 3.525 -18.996 1.00 0.00 H new ATOM 0 HB2 TYR A 541 41.932 1.529 -18.779 1.00 0.00 H new ATOM 0 HB3 TYR A 541 42.226 2.806 -17.616 1.00 0.00 H new ATOM 0 HD1 TYR A 541 41.031 2.010 -20.983 1.00 0.00 H new ATOM 0 HD2 TYR A 541 42.085 5.213 -18.319 1.00 0.00 H new ATOM 0 HE1 TYR A 541 39.846 3.621 -22.449 1.00 0.00 H new ATOM 0 HE2 TYR A 541 40.897 6.822 -19.787 1.00 0.00 H new ATOM 0 HH TYR A 541 39.705 7.121 -21.649 1.00 0.00 H new ATOM 22 N HIS A 542 44.864 2.182 -16.838 1.00 0.00 N ATOM 23 CA HIS A 542 45.597 1.402 -15.797 1.00 0.00 C ATOM 24 C HIS A 542 44.630 0.430 -15.110 1.00 0.00 C ATOM 25 O HIS A 542 43.605 0.070 -15.656 1.00 0.00 O ATOM 26 CB HIS A 542 46.191 2.369 -14.763 1.00 0.00 C ATOM 27 CG HIS A 542 45.105 2.870 -13.846 1.00 0.00 C ATOM 28 ND1 HIS A 542 43.941 3.451 -14.324 1.00 0.00 N ATOM 29 CD2 HIS A 542 44.992 2.876 -12.478 1.00 0.00 C ATOM 30 CE1 HIS A 542 43.185 3.779 -13.260 1.00 0.00 C ATOM 31 NE2 HIS A 542 43.779 3.450 -12.110 1.00 0.00 N ATOM 0 H HIS A 542 44.599 3.128 -16.562 1.00 0.00 H new ATOM 0 HA HIS A 542 46.402 0.834 -16.262 1.00 0.00 H new ATOM 0 HB2 HIS A 542 46.965 1.865 -14.183 1.00 0.00 H new ATOM 0 HB3 HIS A 542 46.668 3.209 -15.269 1.00 0.00 H new ATOM 0 HD2 HIS A 542 45.732 2.493 -11.791 1.00 0.00 H new ATOM 0 HE1 HIS A 542 42.216 4.251 -13.328 1.00 0.00 H new ATOM 0 HE2 HIS A 542 43.421 3.589 -11.165 1.00 0.00 H new ATOM 39 N GLU A 543 44.948 0.007 -13.913 1.00 0.00 N ATOM 40 CA GLU A 543 44.050 -0.935 -13.184 1.00 0.00 C ATOM 41 C GLU A 543 42.847 -0.163 -12.625 1.00 0.00 C ATOM 42 O GLU A 543 42.427 0.833 -13.181 1.00 0.00 O ATOM 43 CB GLU A 543 44.829 -1.598 -12.042 1.00 0.00 C ATOM 44 CG GLU A 543 45.286 -0.531 -11.043 1.00 0.00 C ATOM 45 CD GLU A 543 45.027 -1.016 -9.613 1.00 0.00 C ATOM 46 OE1 GLU A 543 43.870 -1.089 -9.232 1.00 0.00 O ATOM 47 OE2 GLU A 543 45.990 -1.304 -8.922 1.00 0.00 O ATOM 0 H GLU A 543 45.793 0.275 -13.409 1.00 0.00 H new ATOM 0 HA GLU A 543 43.692 -1.706 -13.866 1.00 0.00 H new ATOM 0 HB2 GLU A 543 44.202 -2.335 -11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 543 45.692 -2.132 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 543 46.347 -0.322 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 543 44.752 0.402 -11.223 1.00 0.00 H new ATOM 54 N ARG A 544 42.291 -0.614 -11.531 1.00 0.00 N ATOM 55 CA ARG A 544 41.118 0.094 -10.940 1.00 0.00 C ATOM 56 C ARG A 544 41.586 1.375 -10.243 1.00 0.00 C ATOM 57 O ARG A 544 41.060 2.445 -10.479 1.00 0.00 O ATOM 58 CB ARG A 544 40.429 -0.822 -9.925 1.00 0.00 C ATOM 59 CG ARG A 544 39.349 -1.642 -10.636 1.00 0.00 C ATOM 60 CD ARG A 544 38.099 -0.780 -10.844 1.00 0.00 C ATOM 61 NE ARG A 544 36.866 -1.578 -10.539 1.00 0.00 N ATOM 62 CZ ARG A 544 36.699 -2.788 -11.013 1.00 0.00 C ATOM 63 NH1 ARG A 544 35.648 -3.477 -10.665 1.00 0.00 N ATOM 64 NH2 ARG A 544 37.555 -3.298 -11.855 1.00 0.00 N ATOM 0 H ARG A 544 42.599 -1.442 -11.021 1.00 0.00 H new ATOM 0 HA ARG A 544 40.415 0.353 -11.731 1.00 0.00 H new ATOM 0 HB2 ARG A 544 41.159 -1.485 -9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 544 39.985 -0.229 -9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 544 39.722 -1.997 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 544 39.100 -2.524 -10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 544 38.142 0.098 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 544 38.063 -0.420 -11.872 1.00 0.00 H new ATOM 0 HE ARG A 544 36.141 -1.169 -9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 544 34.962 -3.073 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 544 35.512 -4.420 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 544 38.365 -2.754 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 544 37.414 -4.241 -12.217 1.00 0.00 H new ATOM 78 N ARG A 545 42.568 1.270 -9.385 1.00 0.00 N ATOM 79 CA ARG A 545 43.076 2.476 -8.665 1.00 0.00 C ATOM 80 C ARG A 545 44.564 2.656 -8.959 1.00 0.00 C ATOM 81 O ARG A 545 44.974 3.632 -9.557 1.00 0.00 O ATOM 82 CB ARG A 545 42.879 2.297 -7.159 1.00 0.00 C ATOM 83 CG ARG A 545 41.521 1.643 -6.897 1.00 0.00 C ATOM 84 CD ARG A 545 41.119 1.859 -5.437 1.00 0.00 C ATOM 85 NE ARG A 545 39.648 1.647 -5.293 1.00 0.00 N ATOM 86 CZ ARG A 545 39.113 1.504 -4.110 1.00 0.00 C ATOM 87 NH1 ARG A 545 37.828 1.313 -3.998 1.00 0.00 N ATOM 88 NH2 ARG A 545 39.857 1.554 -3.039 1.00 0.00 N ATOM 0 H ARG A 545 43.042 0.397 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 545 42.526 3.354 -9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 545 43.678 1.679 -6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 545 42.932 3.263 -6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 545 40.767 2.069 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 545 41.571 0.577 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 545 41.662 1.168 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 545 41.385 2.867 -5.120 1.00 0.00 H new ATOM 0 HE ARG A 545 39.057 1.614 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 545 37.243 1.276 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 545 37.408 1.201 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 545 40.862 1.705 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 545 39.433 1.442 -2.118 1.00 0.00 H new ATOM 102 N GLY A 546 45.374 1.720 -8.539 1.00 0.00 N ATOM 103 CA GLY A 546 46.841 1.825 -8.787 1.00 0.00 C ATOM 104 C GLY A 546 47.589 1.919 -7.455 1.00 0.00 C ATOM 105 O GLY A 546 48.779 1.693 -7.393 1.00 0.00 O ATOM 0 H GLY A 546 45.081 0.884 -8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 546 47.187 0.957 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 546 47.054 2.703 -9.396 1.00 0.00 H new ATOM 109 N SER A 547 46.897 2.253 -6.393 1.00 0.00 N ATOM 110 CA SER A 547 47.550 2.371 -5.052 1.00 0.00 C ATOM 111 C SER A 547 48.512 3.564 -5.051 1.00 0.00 C ATOM 112 O SER A 547 49.456 3.610 -5.812 1.00 0.00 O ATOM 113 CB SER A 547 48.321 1.089 -4.729 1.00 0.00 C ATOM 114 OG SER A 547 47.708 0.438 -3.624 1.00 0.00 O ATOM 0 H SER A 547 45.896 2.451 -6.399 1.00 0.00 H new ATOM 0 HA SER A 547 46.781 2.524 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 547 48.330 0.428 -5.596 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.360 1.324 -4.497 1.00 0.00 H new ATOM 0 HG SER A 547 48.094 -0.456 -3.516 1.00 0.00 H new ATOM 120 N LEU A 548 48.277 4.531 -4.204 1.00 0.00 N ATOM 121 CA LEU A 548 49.176 5.721 -4.162 1.00 0.00 C ATOM 122 C LEU A 548 50.525 5.334 -3.560 1.00 0.00 C ATOM 123 O LEU A 548 50.600 4.618 -2.581 1.00 0.00 O ATOM 124 CB LEU A 548 48.543 6.824 -3.308 1.00 0.00 C ATOM 125 CG LEU A 548 47.610 7.685 -4.169 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.575 6.799 -4.865 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.891 8.703 -3.279 1.00 0.00 C ATOM 0 H LEU A 548 47.503 4.548 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 548 49.322 6.085 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.984 6.381 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.322 7.446 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 548 48.200 8.207 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.917 7.418 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.084 6.076 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 548 45.985 6.271 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.228 9.316 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.307 8.177 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 548 47.626 9.342 -2.789 1.00 0.00 H new ATOM 139 N CYS A 549 51.591 5.825 -4.129 1.00 0.00 N ATOM 140 CA CYS A 549 52.942 5.520 -3.593 1.00 0.00 C ATOM 141 C CYS A 549 53.176 6.418 -2.392 1.00 0.00 C ATOM 142 O CYS A 549 53.294 7.619 -2.529 1.00 0.00 O ATOM 143 CB CYS A 549 53.994 5.807 -4.672 1.00 0.00 C ATOM 144 SG CYS A 549 55.513 6.471 -3.925 1.00 0.00 S ATOM 0 H CYS A 549 51.581 6.430 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 549 53.016 4.472 -3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.221 4.892 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.596 6.519 -5.395 1.00 0.00 H new ATOM 149 N SER A 550 53.231 5.859 -1.216 1.00 0.00 N ATOM 150 CA SER A 550 53.452 6.707 -0.019 1.00 0.00 C ATOM 151 C SER A 550 54.673 7.582 -0.285 1.00 0.00 C ATOM 152 O SER A 550 55.781 7.104 -0.428 1.00 0.00 O ATOM 153 CB SER A 550 53.679 5.838 1.214 1.00 0.00 C ATOM 154 OG SER A 550 52.551 4.997 1.408 1.00 0.00 O ATOM 0 H SER A 550 53.133 4.860 -1.035 1.00 0.00 H new ATOM 0 HA SER A 550 52.577 7.328 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.579 5.236 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.835 6.465 2.092 1.00 0.00 H new ATOM 0 HG SER A 550 51.751 5.548 1.539 1.00 0.00 H new ATOM 160 N GLY A 551 54.455 8.856 -0.404 1.00 0.00 N ATOM 161 CA GLY A 551 55.567 9.795 -0.720 1.00 0.00 C ATOM 162 C GLY A 551 55.205 10.517 -2.017 1.00 0.00 C ATOM 163 O GLY A 551 55.577 11.653 -2.238 1.00 0.00 O ATOM 0 H GLY A 551 53.541 9.296 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 551 55.707 10.510 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 551 56.506 9.253 -0.832 1.00 0.00 H new ATOM 167 N CYS A 552 54.463 9.853 -2.871 1.00 0.00 N ATOM 168 CA CYS A 552 54.041 10.468 -4.162 1.00 0.00 C ATOM 169 C CYS A 552 52.558 10.826 -4.090 1.00 0.00 C ATOM 170 O CYS A 552 52.099 11.731 -4.758 1.00 0.00 O ATOM 171 CB CYS A 552 54.237 9.459 -5.294 1.00 0.00 C ATOM 172 SG CYS A 552 55.845 9.721 -6.068 1.00 0.00 S ATOM 0 H CYS A 552 54.130 8.900 -2.723 1.00 0.00 H new ATOM 0 HA CYS A 552 54.638 11.361 -4.346 1.00 0.00 H new ATOM 0 HB2 CYS A 552 54.171 8.443 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 552 53.444 9.569 -6.034 1.00 0.00 H new ATOM 177 N GLN A 553 51.805 10.101 -3.300 1.00 0.00 N ATOM 178 CA GLN A 553 50.341 10.370 -3.193 1.00 0.00 C ATOM 179 C GLN A 553 49.716 10.246 -4.585 1.00 0.00 C ATOM 180 O GLN A 553 48.719 10.870 -4.895 1.00 0.00 O ATOM 181 CB GLN A 553 50.106 11.776 -2.630 1.00 0.00 C ATOM 182 CG GLN A 553 50.554 11.822 -1.165 1.00 0.00 C ATOM 183 CD GLN A 553 52.080 11.915 -1.088 1.00 0.00 C ATOM 184 OE1 GLN A 553 52.725 11.155 -0.248 1.00 0.00 O flip ATOM 185 NE2 GLN A 553 52.692 12.689 -1.797 1.00 0.00 N flip ATOM 0 H GLN A 553 52.145 9.332 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 553 49.880 9.649 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 553 50.661 12.510 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 553 49.051 12.038 -2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 553 50.103 12.679 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 553 50.209 10.930 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 553 52.189 13.285 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 553 53.709 12.743 -1.734 1.00 0.00 H new ATOM 194 N LYS A 554 50.303 9.426 -5.418 1.00 0.00 N ATOM 195 CA LYS A 554 49.774 9.219 -6.796 1.00 0.00 C ATOM 196 C LYS A 554 49.745 7.715 -7.069 1.00 0.00 C ATOM 197 O LYS A 554 50.645 6.999 -6.671 1.00 0.00 O ATOM 198 CB LYS A 554 50.693 9.906 -7.814 1.00 0.00 C ATOM 199 CG LYS A 554 50.563 11.428 -7.692 1.00 0.00 C ATOM 200 CD LYS A 554 49.153 11.862 -8.103 1.00 0.00 C ATOM 201 CE LYS A 554 49.187 13.300 -8.627 1.00 0.00 C ATOM 202 NZ LYS A 554 49.694 13.305 -10.029 1.00 0.00 N ATOM 0 H LYS A 554 51.138 8.884 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 554 48.774 9.644 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 554 51.727 9.606 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 554 50.432 9.590 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 554 50.765 11.739 -6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 554 51.303 11.917 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 554 48.766 11.194 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 554 48.478 11.791 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.189 13.736 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 554 49.828 13.914 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 50.232 14.178 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 50.312 12.482 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 48.891 13.258 -10.689 1.00 0.00 H new ATOM 216 N PRO A 555 48.719 7.232 -7.727 1.00 0.00 N ATOM 217 CA PRO A 555 48.598 5.780 -8.019 1.00 0.00 C ATOM 218 C PRO A 555 49.883 5.155 -8.556 1.00 0.00 C ATOM 219 O PRO A 555 50.717 5.811 -9.151 1.00 0.00 O ATOM 220 CB PRO A 555 47.496 5.744 -9.067 1.00 0.00 C ATOM 221 CG PRO A 555 46.765 7.091 -9.037 1.00 0.00 C ATOM 222 CD PRO A 555 47.610 8.087 -8.229 1.00 0.00 C ATOM 0 HA PRO A 555 48.386 5.201 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 555 47.917 5.562 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 555 46.802 4.930 -8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 555 46.610 7.461 -10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 555 45.779 6.977 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 555 47.977 8.905 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.041 8.535 -7.414 1.00 0.00 H new ATOM 230 N ILE A 556 50.034 3.883 -8.335 1.00 0.00 N ATOM 231 CA ILE A 556 51.244 3.163 -8.801 1.00 0.00 C ATOM 232 C ILE A 556 50.862 2.276 -9.990 1.00 0.00 C ATOM 233 O ILE A 556 50.389 1.167 -9.826 1.00 0.00 O ATOM 234 CB ILE A 556 51.769 2.314 -7.641 1.00 0.00 C ATOM 235 CG1 ILE A 556 52.295 3.243 -6.536 1.00 0.00 C ATOM 236 CG2 ILE A 556 52.898 1.404 -8.133 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.280 2.517 -5.186 1.00 0.00 C ATOM 0 H ILE A 556 49.356 3.302 -7.842 1.00 0.00 H new ATOM 0 HA ILE A 556 52.020 3.860 -9.119 1.00 0.00 H new ATOM 0 HB ILE A 556 50.963 1.695 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 556 53.309 3.565 -6.773 1.00 0.00 H new ATOM 0 HG13 ILE A 556 51.680 4.141 -6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 556 53.268 0.802 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 556 52.521 0.748 -8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 556 53.710 2.014 -8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 556 52.655 3.184 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 556 51.260 2.217 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 556 52.915 1.633 -5.241 1.00 0.00 H new ATOM 249 N THR A 557 51.052 2.767 -11.187 1.00 0.00 N ATOM 250 CA THR A 557 50.689 1.970 -12.395 1.00 0.00 C ATOM 251 C THR A 557 51.815 0.988 -12.730 1.00 0.00 C ATOM 252 O THR A 557 52.765 1.321 -13.412 1.00 0.00 O ATOM 253 CB THR A 557 50.456 2.918 -13.576 1.00 0.00 C ATOM 254 OG1 THR A 557 51.593 3.755 -13.741 1.00 0.00 O ATOM 255 CG2 THR A 557 49.221 3.780 -13.304 1.00 0.00 C ATOM 0 H THR A 557 51.444 3.689 -11.380 1.00 0.00 H new ATOM 0 HA THR A 557 49.778 1.406 -12.197 1.00 0.00 H new ATOM 0 HB THR A 557 50.298 2.336 -14.484 1.00 0.00 H new ATOM 0 HG1 THR A 557 52.409 3.217 -13.669 1.00 0.00 H new ATOM 0 HG21 THR A 557 49.056 4.454 -14.144 1.00 0.00 H new ATOM 0 HG22 THR A 557 48.350 3.138 -13.177 1.00 0.00 H new ATOM 0 HG23 THR A 557 49.377 4.363 -12.396 1.00 0.00 H new ATOM 263 N GLY A 558 51.709 -0.221 -12.246 1.00 0.00 N ATOM 264 CA GLY A 558 52.756 -1.248 -12.514 1.00 0.00 C ATOM 265 C GLY A 558 53.090 -1.951 -11.202 1.00 0.00 C ATOM 266 O GLY A 558 52.256 -2.061 -10.323 1.00 0.00 O ATOM 0 H GLY A 558 50.932 -0.544 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 558 52.400 -1.969 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 558 53.648 -0.780 -12.931 1.00 0.00 H new ATOM 270 N ARG A 559 54.301 -2.416 -11.049 1.00 0.00 N ATOM 271 CA ARG A 559 54.679 -3.092 -9.777 1.00 0.00 C ATOM 272 C ARG A 559 54.439 -2.123 -8.621 1.00 0.00 C ATOM 273 O ARG A 559 54.386 -0.924 -8.813 1.00 0.00 O ATOM 274 CB ARG A 559 56.160 -3.481 -9.826 1.00 0.00 C ATOM 275 CG ARG A 559 56.297 -4.936 -10.286 1.00 0.00 C ATOM 276 CD ARG A 559 56.554 -5.837 -9.074 1.00 0.00 C ATOM 277 NE ARG A 559 57.551 -6.902 -9.424 1.00 0.00 N ATOM 278 CZ ARG A 559 57.445 -7.605 -10.525 1.00 0.00 C ATOM 279 NH1 ARG A 559 58.377 -8.463 -10.833 1.00 0.00 N ATOM 280 NH2 ARG A 559 56.401 -7.482 -11.297 1.00 0.00 N ATOM 0 H ARG A 559 55.042 -2.357 -11.748 1.00 0.00 H new ATOM 0 HA ARG A 559 54.080 -3.992 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 559 56.697 -2.822 -10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 559 56.611 -3.357 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 559 55.390 -5.252 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 559 57.116 -5.027 -10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 559 56.925 -5.241 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 559 55.620 -6.295 -8.748 1.00 0.00 H new ATOM 0 HE ARG A 559 58.329 -7.083 -8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 559 59.182 -8.584 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 559 58.301 -9.013 -11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 559 55.655 -6.833 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 559 56.330 -8.035 -12.151 1.00 0.00 H new ATOM 294 N CYS A 560 54.284 -2.624 -7.428 1.00 0.00 N ATOM 295 CA CYS A 560 54.040 -1.714 -6.275 1.00 0.00 C ATOM 296 C CYS A 560 54.485 -2.383 -4.979 1.00 0.00 C ATOM 297 O CYS A 560 54.218 -3.545 -4.738 1.00 0.00 O ATOM 298 CB CYS A 560 52.549 -1.381 -6.197 1.00 0.00 C ATOM 299 SG CYS A 560 51.621 -2.850 -5.689 1.00 0.00 S ATOM 0 H CYS A 560 54.315 -3.618 -7.202 1.00 0.00 H new ATOM 0 HA CYS A 560 54.612 -0.797 -6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 560 52.384 -0.571 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 560 52.193 -1.032 -7.166 1.00 0.00 H new ATOM 0 HG CYS A 560 52.416 -3.674 -5.074 1.00 0.00 H new ATOM 305 N ILE A 561 55.161 -1.647 -4.143 1.00 0.00 N ATOM 306 CA ILE A 561 55.633 -2.216 -2.851 1.00 0.00 C ATOM 307 C ILE A 561 54.587 -1.942 -1.770 1.00 0.00 C ATOM 308 O ILE A 561 53.889 -0.949 -1.811 1.00 0.00 O ATOM 309 CB ILE A 561 56.956 -1.555 -2.451 1.00 0.00 C ATOM 310 CG1 ILE A 561 57.825 -1.329 -3.699 1.00 0.00 C ATOM 311 CG2 ILE A 561 57.699 -2.456 -1.460 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.186 -2.672 -4.340 1.00 0.00 C ATOM 0 H ILE A 561 55.408 -0.670 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 561 55.782 -3.290 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 561 56.750 -0.593 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.290 -0.707 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 561 58.733 -0.792 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 561 58.640 -1.986 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.085 -2.604 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 561 57.902 -3.420 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 561 58.802 -2.500 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 561 58.740 -3.280 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 561 57.274 -3.194 -4.630 1.00 0.00 H new ATOM 324 N THR A 562 54.482 -2.813 -0.802 1.00 0.00 N ATOM 325 CA THR A 562 53.493 -2.608 0.295 1.00 0.00 C ATOM 326 C THR A 562 54.218 -2.716 1.634 1.00 0.00 C ATOM 327 O THR A 562 54.576 -3.792 2.073 1.00 0.00 O ATOM 328 CB THR A 562 52.399 -3.677 0.215 1.00 0.00 C ATOM 329 OG1 THR A 562 51.707 -3.551 -1.020 1.00 0.00 O ATOM 330 CG2 THR A 562 51.415 -3.494 1.374 1.00 0.00 C ATOM 0 H THR A 562 55.042 -3.662 -0.724 1.00 0.00 H new ATOM 0 HA THR A 562 53.033 -1.625 0.198 1.00 0.00 H new ATOM 0 HB THR A 562 52.852 -4.666 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.007 -4.235 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 562 50.638 -4.256 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 562 51.946 -3.590 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 562 50.960 -2.505 1.312 1.00 0.00 H new ATOM 338 N ALA A 563 54.440 -1.608 2.282 1.00 0.00 N ATOM 339 CA ALA A 563 55.148 -1.636 3.592 1.00 0.00 C ATOM 340 C ALA A 563 54.124 -1.797 4.716 1.00 0.00 C ATOM 341 O ALA A 563 53.281 -2.671 4.672 1.00 0.00 O ATOM 342 CB ALA A 563 55.926 -0.330 3.767 1.00 0.00 C ATOM 0 H ALA A 563 54.161 -0.681 1.960 1.00 0.00 H new ATOM 0 HA ALA A 563 55.844 -2.474 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.447 -0.343 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.651 -0.228 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.234 0.512 3.742 1.00 0.00 H new ATOM 348 N MET A 564 54.185 -0.957 5.716 1.00 0.00 N ATOM 349 CA MET A 564 53.209 -1.051 6.836 1.00 0.00 C ATOM 350 C MET A 564 51.857 -0.552 6.331 1.00 0.00 C ATOM 351 O MET A 564 51.328 0.436 6.803 1.00 0.00 O ATOM 352 CB MET A 564 53.679 -0.171 7.991 1.00 0.00 C ATOM 353 CG MET A 564 55.021 -0.686 8.518 1.00 0.00 C ATOM 354 SD MET A 564 55.559 0.342 9.908 1.00 0.00 S ATOM 355 CE MET A 564 54.951 -0.727 11.237 1.00 0.00 C ATOM 0 H MET A 564 54.872 -0.208 5.803 1.00 0.00 H new ATOM 0 HA MET A 564 53.126 -2.081 7.184 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.781 0.861 7.656 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.937 -0.176 8.790 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.925 -1.724 8.836 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.768 -0.663 7.725 1.00 0.00 H new ATOM 0 HE1 MET A 564 55.289 -0.340 12.198 1.00 0.00 H new ATOM 0 HE2 MET A 564 53.861 -0.749 11.217 1.00 0.00 H new ATOM 0 HE3 MET A 564 55.337 -1.737 11.097 1.00 0.00 H new ATOM 365 N ALA A 565 51.324 -1.219 5.345 1.00 0.00 N ATOM 366 CA ALA A 565 50.023 -0.801 4.744 1.00 0.00 C ATOM 367 C ALA A 565 50.283 0.384 3.812 1.00 0.00 C ATOM 368 O ALA A 565 49.437 0.772 3.028 1.00 0.00 O ATOM 369 CB ALA A 565 49.027 -0.399 5.840 1.00 0.00 C ATOM 0 H ALA A 565 51.740 -2.049 4.923 1.00 0.00 H new ATOM 0 HA ALA A 565 49.592 -1.632 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 565 48.085 -0.097 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.854 -1.247 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.434 0.433 6.414 1.00 0.00 H new ATOM 375 N LYS A 566 51.461 0.951 3.889 1.00 0.00 N ATOM 376 CA LYS A 566 51.810 2.104 3.014 1.00 0.00 C ATOM 377 C LYS A 566 52.413 1.578 1.711 1.00 0.00 C ATOM 378 O LYS A 566 53.258 0.704 1.719 1.00 0.00 O ATOM 379 CB LYS A 566 52.839 2.986 3.726 1.00 0.00 C ATOM 380 CG LYS A 566 52.134 4.177 4.381 1.00 0.00 C ATOM 381 CD LYS A 566 53.174 5.088 5.039 1.00 0.00 C ATOM 382 CE LYS A 566 53.582 4.505 6.396 1.00 0.00 C ATOM 383 NZ LYS A 566 55.022 4.794 6.650 1.00 0.00 N ATOM 0 H LYS A 566 52.200 0.659 4.528 1.00 0.00 H new ATOM 0 HA LYS A 566 50.915 2.687 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.370 2.405 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.584 3.339 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.568 4.734 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 566 51.420 3.826 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 566 54.048 5.183 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 566 52.764 6.089 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.969 4.936 7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 566 53.409 3.429 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 55.298 4.398 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 55.600 4.363 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 55.174 5.823 6.656 1.00 0.00 H new ATOM 397 N LYS A 567 51.984 2.098 0.593 1.00 0.00 N ATOM 398 CA LYS A 567 52.530 1.623 -0.707 1.00 0.00 C ATOM 399 C LYS A 567 53.683 2.523 -1.137 1.00 0.00 C ATOM 400 O LYS A 567 53.918 3.563 -0.560 1.00 0.00 O ATOM 401 CB LYS A 567 51.427 1.654 -1.765 1.00 0.00 C ATOM 402 CG LYS A 567 50.564 0.397 -1.635 1.00 0.00 C ATOM 403 CD LYS A 567 50.054 0.272 -0.194 1.00 0.00 C ATOM 404 CE LYS A 567 48.849 -0.668 -0.158 1.00 0.00 C ATOM 405 NZ LYS A 567 48.757 -1.307 1.185 1.00 0.00 N ATOM 0 H LYS A 567 51.279 2.832 0.525 1.00 0.00 H new ATOM 0 HA LYS A 567 52.895 0.602 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 567 50.812 2.545 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 567 51.865 1.707 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 567 49.723 0.448 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.145 -0.485 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 567 50.845 -0.110 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.775 1.253 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 567 47.935 -0.114 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 567 48.947 -1.431 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 48.978 -2.320 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.435 -0.856 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 47.793 -1.192 1.559 1.00 0.00 H new ATOM 419 N PHE A 568 54.405 2.122 -2.145 1.00 0.00 N ATOM 420 CA PHE A 568 55.557 2.940 -2.623 1.00 0.00 C ATOM 421 C PHE A 568 55.873 2.556 -4.063 1.00 0.00 C ATOM 422 O PHE A 568 55.920 1.386 -4.395 1.00 0.00 O ATOM 423 CB PHE A 568 56.803 2.623 -1.784 1.00 0.00 C ATOM 424 CG PHE A 568 56.689 3.201 -0.392 1.00 0.00 C ATOM 425 CD1 PHE A 568 57.132 4.504 -0.135 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.161 2.424 0.648 1.00 0.00 C ATOM 427 CE1 PHE A 568 57.045 5.030 1.160 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.071 2.952 1.941 1.00 0.00 C ATOM 429 CZ PHE A 568 56.514 4.254 2.197 1.00 0.00 C ATOM 0 H PHE A 568 54.247 1.257 -2.662 1.00 0.00 H new ATOM 0 HA PHE A 568 55.298 3.996 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 568 56.937 1.543 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.688 3.026 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 568 57.541 5.103 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 568 55.823 1.417 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 568 57.388 6.035 1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 568 55.660 2.354 2.741 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.446 4.661 3.195 1.00 0.00 H new ATOM 439 N HIS A 569 56.136 3.511 -4.916 1.00 0.00 N ATOM 440 CA HIS A 569 56.500 3.146 -6.311 1.00 0.00 C ATOM 441 C HIS A 569 57.729 2.238 -6.213 1.00 0.00 C ATOM 442 O HIS A 569 58.639 2.524 -5.460 1.00 0.00 O ATOM 443 CB HIS A 569 56.867 4.399 -7.117 1.00 0.00 C ATOM 444 CG HIS A 569 55.626 5.066 -7.646 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.245 6.331 -7.233 1.00 0.00 N ATOM 446 CD2 HIS A 569 54.683 4.670 -8.562 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.116 6.654 -7.892 1.00 0.00 C ATOM 448 NE2 HIS A 569 53.731 5.674 -8.713 1.00 0.00 N ATOM 0 H HIS A 569 56.115 4.510 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 569 55.665 2.655 -6.810 1.00 0.00 H new ATOM 0 HB2 HIS A 569 57.421 5.095 -6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 569 57.522 4.128 -7.945 1.00 0.00 H new ATOM 0 HD2 HIS A 569 54.680 3.725 -9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 569 53.588 7.588 -7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 569 52.913 5.663 -9.322 1.00 0.00 H new ATOM 456 N PRO A 570 57.760 1.151 -6.938 1.00 0.00 N ATOM 457 CA PRO A 570 58.920 0.216 -6.881 1.00 0.00 C ATOM 458 C PRO A 570 60.271 0.932 -7.019 1.00 0.00 C ATOM 459 O PRO A 570 61.317 0.350 -6.810 1.00 0.00 O ATOM 460 CB PRO A 570 58.643 -0.701 -8.069 1.00 0.00 C ATOM 461 CG PRO A 570 57.160 -0.561 -8.428 1.00 0.00 C ATOM 462 CD PRO A 570 56.656 0.768 -7.858 1.00 0.00 C ATOM 0 HA PRO A 570 59.004 -0.303 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 570 59.270 -0.427 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 570 58.880 -1.735 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.026 -0.587 -9.509 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.589 -1.393 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 570 56.499 1.513 -8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.708 0.653 -7.332 1.00 0.00 H new ATOM 470 N GLU A 571 60.243 2.195 -7.354 1.00 0.00 N ATOM 471 CA GLU A 571 61.505 2.975 -7.495 1.00 0.00 C ATOM 472 C GLU A 571 61.569 4.048 -6.398 1.00 0.00 C ATOM 473 O GLU A 571 62.607 4.634 -6.156 1.00 0.00 O ATOM 474 CB GLU A 571 61.534 3.650 -8.868 1.00 0.00 C ATOM 475 CG GLU A 571 60.310 4.559 -9.016 1.00 0.00 C ATOM 476 CD GLU A 571 60.408 5.349 -10.323 1.00 0.00 C ATOM 477 OE1 GLU A 571 60.805 6.502 -10.267 1.00 0.00 O ATOM 478 OE2 GLU A 571 60.083 4.789 -11.357 1.00 0.00 O ATOM 0 H GLU A 571 59.390 2.724 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 571 62.359 2.305 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 571 62.449 4.233 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.538 2.896 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 571 59.398 3.961 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.249 5.244 -8.170 1.00 0.00 H new ATOM 485 N HIS A 572 60.468 4.310 -5.732 1.00 0.00 N ATOM 486 CA HIS A 572 60.470 5.345 -4.653 1.00 0.00 C ATOM 487 C HIS A 572 60.558 4.660 -3.291 1.00 0.00 C ATOM 488 O HIS A 572 60.814 5.292 -2.284 1.00 0.00 O ATOM 489 CB HIS A 572 59.195 6.193 -4.737 1.00 0.00 C ATOM 490 CG HIS A 572 59.216 6.968 -6.027 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.075 7.515 -6.604 1.00 0.00 N ATOM 492 CD2 HIS A 572 60.250 7.288 -6.876 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.453 8.123 -7.745 1.00 0.00 C ATOM 494 NE2 HIS A 572 59.764 8.013 -7.954 1.00 0.00 N ATOM 0 H HIS A 572 59.571 3.852 -5.890 1.00 0.00 H new ATOM 0 HA HIS A 572 61.332 5.999 -4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.313 5.554 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.137 6.874 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 572 61.284 7.016 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 572 57.775 8.637 -8.410 1.00 0.00 H new ATOM 0 HE2 HIS A 572 60.298 8.384 -8.740 1.00 0.00 H new ATOM 502 N PHE A 573 60.375 3.368 -3.257 1.00 0.00 N ATOM 503 CA PHE A 573 60.477 2.633 -1.970 1.00 0.00 C ATOM 504 C PHE A 573 61.955 2.523 -1.614 1.00 0.00 C ATOM 505 O PHE A 573 62.620 1.569 -1.966 1.00 0.00 O ATOM 506 CB PHE A 573 59.879 1.233 -2.128 1.00 0.00 C ATOM 507 CG PHE A 573 59.927 0.501 -0.803 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.334 1.065 0.334 1.00 0.00 C ATOM 509 CD2 PHE A 573 60.563 -0.743 -0.714 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.377 0.386 1.556 1.00 0.00 C ATOM 511 CE2 PHE A 573 60.606 -1.422 0.509 1.00 0.00 C ATOM 512 CZ PHE A 573 60.013 -0.858 1.644 1.00 0.00 C ATOM 0 H PHE A 573 60.159 2.790 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 573 59.933 3.158 -1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 573 58.849 1.305 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.433 0.674 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 573 58.843 2.025 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 573 61.021 -1.179 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 573 58.919 0.822 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.097 -2.382 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.046 -1.382 2.588 1.00 0.00 H new ATOM 522 N VAL A 574 62.477 3.510 -0.947 1.00 0.00 N ATOM 523 CA VAL A 574 63.922 3.488 -0.589 1.00 0.00 C ATOM 524 C VAL A 574 64.093 3.256 0.914 1.00 0.00 C ATOM 525 O VAL A 574 63.139 3.246 1.669 1.00 0.00 O ATOM 526 CB VAL A 574 64.565 4.824 -0.977 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.421 5.046 -2.487 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.871 5.966 -0.225 1.00 0.00 C ATOM 0 H VAL A 574 61.965 4.334 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 574 64.408 2.675 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 574 65.622 4.804 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.879 5.997 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.917 4.237 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.364 5.063 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 574 64.329 6.915 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.813 5.984 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.977 5.812 0.849 1.00 0.00 H new ATOM 538 N CYS A 575 65.312 3.066 1.344 1.00 0.00 N ATOM 539 CA CYS A 575 65.582 2.829 2.791 1.00 0.00 C ATOM 540 C CYS A 575 65.490 4.148 3.558 1.00 0.00 C ATOM 541 O CYS A 575 66.090 5.134 3.179 1.00 0.00 O ATOM 542 CB CYS A 575 66.993 2.260 2.941 1.00 0.00 C ATOM 543 SG CYS A 575 67.482 2.282 4.686 1.00 0.00 S ATOM 0 H CYS A 575 66.140 3.065 0.748 1.00 0.00 H new ATOM 0 HA CYS A 575 64.848 2.129 3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.026 1.240 2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.696 2.846 2.349 1.00 0.00 H new ATOM 548 N ALA A 576 64.753 4.170 4.638 1.00 0.00 N ATOM 549 CA ALA A 576 64.634 5.426 5.440 1.00 0.00 C ATOM 550 C ALA A 576 65.959 5.698 6.173 1.00 0.00 C ATOM 551 O ALA A 576 65.978 6.121 7.313 1.00 0.00 O ATOM 552 CB ALA A 576 63.503 5.274 6.460 1.00 0.00 C ATOM 0 H ALA A 576 64.228 3.374 5.000 1.00 0.00 H new ATOM 0 HA ALA A 576 64.413 6.261 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 576 63.415 6.189 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.565 5.086 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.722 4.438 7.124 1.00 0.00 H new ATOM 558 N PHE A 577 67.065 5.463 5.514 1.00 0.00 N ATOM 559 CA PHE A 577 68.400 5.704 6.137 1.00 0.00 C ATOM 560 C PHE A 577 69.355 6.200 5.055 1.00 0.00 C ATOM 561 O PHE A 577 69.846 7.310 5.102 1.00 0.00 O ATOM 562 CB PHE A 577 68.938 4.396 6.725 1.00 0.00 C ATOM 563 CG PHE A 577 69.928 4.697 7.826 1.00 0.00 C ATOM 564 CD1 PHE A 577 71.294 4.464 7.622 1.00 0.00 C ATOM 565 CD2 PHE A 577 69.482 5.208 9.052 1.00 0.00 C ATOM 566 CE1 PHE A 577 72.212 4.741 8.642 1.00 0.00 C ATOM 567 CE2 PHE A 577 70.400 5.485 10.071 1.00 0.00 C ATOM 568 CZ PHE A 577 71.765 5.251 9.866 1.00 0.00 C ATOM 0 H PHE A 577 67.099 5.110 4.558 1.00 0.00 H new ATOM 0 HA PHE A 577 68.311 6.444 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 577 68.115 3.798 7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.417 3.806 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 577 71.639 4.070 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 577 68.429 5.388 9.211 1.00 0.00 H new ATOM 0 HE1 PHE A 577 73.265 4.561 8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 577 70.056 5.879 11.016 1.00 0.00 H new ATOM 0 HZ PHE A 577 72.473 5.464 10.653 1.00 0.00 H new ATOM 578 N CYS A 578 69.605 5.378 4.071 1.00 0.00 N ATOM 579 CA CYS A 578 70.514 5.782 2.961 1.00 0.00 C ATOM 580 C CYS A 578 69.668 6.317 1.803 1.00 0.00 C ATOM 581 O CYS A 578 70.150 7.033 0.947 1.00 0.00 O ATOM 582 CB CYS A 578 71.323 4.569 2.495 1.00 0.00 C ATOM 583 SG CYS A 578 70.235 3.130 2.355 1.00 0.00 S ATOM 0 H CYS A 578 69.216 4.439 3.989 1.00 0.00 H new ATOM 0 HA CYS A 578 71.201 6.556 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.790 4.779 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 578 72.127 4.362 3.202 1.00 0.00 H new ATOM 588 N LEU A 579 68.402 5.976 1.787 1.00 0.00 N ATOM 589 CA LEU A 579 67.486 6.456 0.708 1.00 0.00 C ATOM 590 C LEU A 579 68.047 6.101 -0.673 1.00 0.00 C ATOM 591 O LEU A 579 67.649 6.664 -1.675 1.00 0.00 O ATOM 592 CB LEU A 579 67.311 7.976 0.818 1.00 0.00 C ATOM 593 CG LEU A 579 66.714 8.329 2.186 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.814 8.861 3.108 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.634 9.401 2.012 1.00 0.00 C ATOM 0 H LEU A 579 67.960 5.378 2.485 1.00 0.00 H new ATOM 0 HA LEU A 579 66.520 5.967 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 579 68.273 8.473 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 579 66.659 8.335 0.022 1.00 0.00 H new ATOM 0 HG LEU A 579 66.273 7.435 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.386 9.111 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.582 8.098 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 579 68.258 9.753 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 579 65.210 9.652 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 579 66.075 10.293 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.847 9.022 1.360 1.00 0.00 H new ATOM 607 N LYS A 580 68.959 5.166 -0.740 1.00 0.00 N ATOM 608 CA LYS A 580 69.529 4.775 -2.062 1.00 0.00 C ATOM 609 C LYS A 580 68.450 4.047 -2.871 1.00 0.00 C ATOM 610 O LYS A 580 68.143 4.410 -3.990 1.00 0.00 O ATOM 611 CB LYS A 580 70.738 3.852 -1.849 1.00 0.00 C ATOM 612 CG LYS A 580 70.306 2.580 -1.108 1.00 0.00 C ATOM 613 CD LYS A 580 71.532 1.890 -0.500 1.00 0.00 C ATOM 614 CE LYS A 580 71.571 0.425 -0.942 1.00 0.00 C ATOM 615 NZ LYS A 580 71.838 0.354 -2.407 1.00 0.00 N ATOM 0 H LYS A 580 69.332 4.658 0.062 1.00 0.00 H new ATOM 0 HA LYS A 580 69.855 5.663 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.179 3.590 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.506 4.372 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.592 2.830 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.800 1.902 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.442 2.400 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.494 1.951 0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.346 -0.111 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.623 -0.061 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.275 -0.561 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 70.943 0.450 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.482 1.123 -2.680 1.00 0.00 H new ATOM 629 N GLN A 581 67.871 3.028 -2.296 1.00 0.00 N ATOM 630 CA GLN A 581 66.802 2.255 -2.982 1.00 0.00 C ATOM 631 C GLN A 581 66.376 1.130 -2.048 1.00 0.00 C ATOM 632 O GLN A 581 67.079 0.803 -1.111 1.00 0.00 O ATOM 633 CB GLN A 581 67.330 1.658 -4.293 1.00 0.00 C ATOM 634 CG GLN A 581 66.348 1.962 -5.428 1.00 0.00 C ATOM 635 CD GLN A 581 65.725 0.663 -5.937 1.00 0.00 C ATOM 636 OE1 GLN A 581 64.599 0.257 -5.424 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 66.267 0.012 -6.807 1.00 0.00 N flip ATOM 0 H GLN A 581 68.101 2.694 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 581 65.961 2.907 -3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.310 2.074 -4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.458 0.581 -4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.568 2.636 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 581 66.865 2.471 -6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 581 67.149 0.331 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 581 65.840 -0.854 -7.137 1.00 0.00 H new ATOM 646 N LEU A 582 65.238 0.539 -2.274 1.00 0.00 N ATOM 647 CA LEU A 582 64.802 -0.553 -1.365 1.00 0.00 C ATOM 648 C LEU A 582 63.736 -1.420 -2.035 1.00 0.00 C ATOM 649 O LEU A 582 63.036 -0.989 -2.931 1.00 0.00 O ATOM 650 CB LEU A 582 64.241 0.064 -0.080 1.00 0.00 C ATOM 651 CG LEU A 582 64.420 -0.910 1.080 1.00 0.00 C ATOM 652 CD1 LEU A 582 65.902 -1.022 1.442 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.633 -0.403 2.291 1.00 0.00 C ATOM 0 H LEU A 582 64.599 0.761 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 582 65.657 -1.187 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.752 1.002 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.185 0.300 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 582 64.050 -1.893 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.022 -1.719 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.461 -1.384 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.280 -0.042 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.758 -1.096 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.003 0.581 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.576 -0.332 2.034 1.00 0.00 H new ATOM 665 N ASN A 583 63.617 -2.645 -1.595 1.00 0.00 N ATOM 666 CA ASN A 583 62.607 -3.570 -2.177 1.00 0.00 C ATOM 667 C ASN A 583 62.034 -4.447 -1.061 1.00 0.00 C ATOM 668 O ASN A 583 62.763 -5.075 -0.317 1.00 0.00 O ATOM 669 CB ASN A 583 63.273 -4.454 -3.236 1.00 0.00 C ATOM 670 CG ASN A 583 64.472 -5.181 -2.622 1.00 0.00 C ATOM 671 OD1 ASN A 583 64.330 -6.407 -2.198 1.00 0.00 O flip ATOM 672 ND2 ASN A 583 65.550 -4.628 -2.528 1.00 0.00 N flip ATOM 0 H ASN A 583 64.184 -3.046 -0.848 1.00 0.00 H new ATOM 0 HA ASN A 583 61.805 -2.997 -2.642 1.00 0.00 H new ATOM 0 HB2 ASN A 583 62.556 -5.178 -3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 583 63.598 -3.845 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 583 65.662 -3.670 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 583 66.343 -5.122 -2.118 1.00 0.00 H new ATOM 679 N LYS A 584 60.734 -4.492 -0.941 1.00 0.00 N ATOM 680 CA LYS A 584 60.097 -5.326 0.122 1.00 0.00 C ATOM 681 C LYS A 584 60.645 -6.756 0.050 1.00 0.00 C ATOM 682 O LYS A 584 60.692 -7.467 1.035 1.00 0.00 O ATOM 683 CB LYS A 584 58.579 -5.339 -0.108 1.00 0.00 C ATOM 684 CG LYS A 584 57.924 -6.483 0.677 1.00 0.00 C ATOM 685 CD LYS A 584 58.067 -6.235 2.182 1.00 0.00 C ATOM 686 CE LYS A 584 57.432 -4.888 2.549 1.00 0.00 C ATOM 687 NZ LYS A 584 56.736 -5.004 3.862 1.00 0.00 N ATOM 0 H LYS A 584 60.081 -3.984 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 584 60.319 -4.911 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.151 -4.386 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 584 58.368 -5.453 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 584 56.870 -6.560 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 584 58.390 -7.432 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 584 57.586 -7.038 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.120 -6.239 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 584 58.199 -4.115 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 584 56.725 -4.586 1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 55.776 -4.612 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 56.680 -6.005 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 57.266 -4.476 4.584 1.00 0.00 H new ATOM 701 N GLY A 585 61.049 -7.176 -1.118 1.00 0.00 N ATOM 702 CA GLY A 585 61.586 -8.557 -1.295 1.00 0.00 C ATOM 703 C GLY A 585 62.663 -8.873 -0.252 1.00 0.00 C ATOM 704 O GLY A 585 62.771 -9.995 0.204 1.00 0.00 O ATOM 0 H GLY A 585 61.030 -6.614 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 585 60.774 -9.279 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.004 -8.661 -2.296 1.00 0.00 H new ATOM 708 N THR A 586 63.470 -7.912 0.123 1.00 0.00 N ATOM 709 CA THR A 586 64.542 -8.200 1.126 1.00 0.00 C ATOM 710 C THR A 586 64.831 -6.965 1.984 1.00 0.00 C ATOM 711 O THR A 586 65.962 -6.719 2.359 1.00 0.00 O ATOM 712 CB THR A 586 65.826 -8.615 0.394 1.00 0.00 C ATOM 713 OG1 THR A 586 66.188 -7.603 -0.535 1.00 0.00 O ATOM 714 CG2 THR A 586 65.597 -9.933 -0.351 1.00 0.00 C ATOM 0 H THR A 586 63.435 -6.951 -0.217 1.00 0.00 H new ATOM 0 HA THR A 586 64.201 -9.006 1.775 1.00 0.00 H new ATOM 0 HB THR A 586 66.627 -8.749 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 586 65.410 -7.368 -1.082 1.00 0.00 H new ATOM 0 HG21 THR A 586 66.512 -10.222 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 586 65.322 -10.711 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 586 64.794 -9.806 -1.077 1.00 0.00 H new ATOM 722 N PHE A 587 63.831 -6.192 2.317 1.00 0.00 N ATOM 723 CA PHE A 587 64.083 -4.993 3.165 1.00 0.00 C ATOM 724 C PHE A 587 63.806 -5.333 4.629 1.00 0.00 C ATOM 725 O PHE A 587 63.403 -6.429 4.966 1.00 0.00 O ATOM 726 CB PHE A 587 63.174 -3.825 2.734 1.00 0.00 C ATOM 727 CG PHE A 587 61.931 -3.770 3.602 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.100 -4.892 3.716 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.616 -2.595 4.298 1.00 0.00 C ATOM 730 CE1 PHE A 587 59.958 -4.839 4.524 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.473 -2.543 5.104 1.00 0.00 C ATOM 732 CZ PHE A 587 59.645 -3.665 5.217 1.00 0.00 C ATOM 0 H PHE A 587 62.860 -6.338 2.041 1.00 0.00 H new ATOM 0 HA PHE A 587 65.124 -4.695 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 587 63.720 -2.885 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 587 62.890 -3.945 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 587 61.340 -5.798 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.256 -1.729 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 587 59.318 -5.705 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.230 -1.637 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 587 58.764 -3.625 5.840 1.00 0.00 H new ATOM 742 N LYS A 588 64.000 -4.375 5.483 1.00 0.00 N ATOM 743 CA LYS A 588 63.738 -4.561 6.933 1.00 0.00 C ATOM 744 C LYS A 588 63.127 -3.259 7.448 1.00 0.00 C ATOM 745 O LYS A 588 63.085 -2.275 6.737 1.00 0.00 O ATOM 746 CB LYS A 588 65.054 -4.843 7.668 1.00 0.00 C ATOM 747 CG LYS A 588 65.437 -6.321 7.523 1.00 0.00 C ATOM 748 CD LYS A 588 64.518 -7.184 8.396 1.00 0.00 C ATOM 749 CE LYS A 588 63.645 -8.072 7.508 1.00 0.00 C ATOM 750 NZ LYS A 588 62.921 -9.062 8.355 1.00 0.00 N ATOM 0 H LYS A 588 64.338 -3.446 5.231 1.00 0.00 H new ATOM 0 HA LYS A 588 63.066 -5.402 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.847 -4.213 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.951 -4.588 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.355 -6.627 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.476 -6.467 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 588 65.114 -7.801 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 588 63.890 -6.547 9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 588 62.932 -7.462 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 588 64.262 -8.589 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 62.327 -9.666 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 63.609 -9.652 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 62.321 -8.560 9.040 1.00 0.00 H new ATOM 764 N GLU A 589 62.648 -3.226 8.659 1.00 0.00 N ATOM 765 CA GLU A 589 62.048 -1.960 9.163 1.00 0.00 C ATOM 766 C GLU A 589 62.311 -1.799 10.659 1.00 0.00 C ATOM 767 O GLU A 589 62.452 -2.758 11.393 1.00 0.00 O ATOM 768 CB GLU A 589 60.537 -1.958 8.894 1.00 0.00 C ATOM 769 CG GLU A 589 59.797 -2.653 10.040 1.00 0.00 C ATOM 770 CD GLU A 589 58.412 -3.092 9.560 1.00 0.00 C ATOM 771 OE1 GLU A 589 58.312 -4.181 9.017 1.00 0.00 O ATOM 772 OE2 GLU A 589 57.475 -2.332 9.740 1.00 0.00 O ATOM 0 H GLU A 589 62.645 -4.008 9.314 1.00 0.00 H new ATOM 0 HA GLU A 589 62.509 -1.123 8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 589 60.180 -0.934 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.327 -2.467 7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.366 -3.517 10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.702 -1.976 10.889 1.00 0.00 H new ATOM 779 N GLN A 590 62.368 -0.577 11.102 1.00 0.00 N ATOM 780 CA GLN A 590 62.608 -0.290 12.539 1.00 0.00 C ATOM 781 C GLN A 590 61.980 1.064 12.858 1.00 0.00 C ATOM 782 O GLN A 590 61.904 1.927 12.010 1.00 0.00 O ATOM 783 CB GLN A 590 64.114 -0.230 12.803 1.00 0.00 C ATOM 784 CG GLN A 590 64.379 -0.236 14.312 1.00 0.00 C ATOM 785 CD GLN A 590 64.144 -1.640 14.873 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.526 -2.676 14.181 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 63.607 -1.794 15.951 1.00 0.00 N flip ATOM 0 H GLN A 590 62.256 0.251 10.516 1.00 0.00 H new ATOM 0 HA GLN A 590 62.171 -1.070 13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.608 -1.081 12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.535 0.670 12.354 1.00 0.00 H new ATOM 0 HG2 GLN A 590 65.403 0.079 14.512 1.00 0.00 H new ATOM 0 HG3 GLN A 590 63.723 0.479 14.809 1.00 0.00 H new ATOM 0 HE21 GLN A 590 63.308 -0.983 16.492 1.00 0.00 H new ATOM 0 HE22 GLN A 590 63.455 -2.735 16.315 1.00 0.00 H new ATOM 796 N ASN A 591 61.531 1.262 14.065 1.00 0.00 N ATOM 797 CA ASN A 591 60.914 2.572 14.430 1.00 0.00 C ATOM 798 C ASN A 591 59.781 2.927 13.452 1.00 0.00 C ATOM 799 O ASN A 591 59.395 4.075 13.341 1.00 0.00 O ATOM 800 CB ASN A 591 61.987 3.665 14.388 1.00 0.00 C ATOM 801 CG ASN A 591 62.889 3.547 15.618 1.00 0.00 C ATOM 802 OD1 ASN A 591 62.438 3.701 16.735 1.00 0.00 O ATOM 803 ND2 ASN A 591 64.154 3.279 15.456 1.00 0.00 N ATOM 0 H ASN A 591 61.564 0.574 14.817 1.00 0.00 H new ATOM 0 HA ASN A 591 60.497 2.498 15.434 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.581 3.571 13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 591 61.518 4.648 14.362 1.00 0.00 H new ATOM 0 HD21 ASN A 591 64.766 3.198 16.268 1.00 0.00 H new ATOM 0 HD22 ASN A 591 64.532 3.150 14.517 1.00 0.00 H new ATOM 810 N ASP A 592 59.244 1.953 12.752 1.00 0.00 N ATOM 811 CA ASP A 592 58.125 2.223 11.788 1.00 0.00 C ATOM 812 C ASP A 592 58.666 2.805 10.474 1.00 0.00 C ATOM 813 O ASP A 592 57.994 3.567 9.805 1.00 0.00 O ATOM 814 CB ASP A 592 57.131 3.215 12.406 1.00 0.00 C ATOM 815 CG ASP A 592 55.723 2.938 11.870 1.00 0.00 C ATOM 816 OD1 ASP A 592 55.385 3.487 10.833 1.00 0.00 O ATOM 817 OD2 ASP A 592 55.006 2.183 12.506 1.00 0.00 O ATOM 0 H ASP A 592 59.534 0.977 12.807 1.00 0.00 H new ATOM 0 HA ASP A 592 57.623 1.279 11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 592 57.141 3.125 13.492 1.00 0.00 H new ATOM 0 HB3 ASP A 592 57.427 4.237 12.168 1.00 0.00 H new ATOM 822 N LYS A 593 59.862 2.449 10.089 1.00 0.00 N ATOM 823 CA LYS A 593 60.420 2.981 8.809 1.00 0.00 C ATOM 824 C LYS A 593 61.238 1.880 8.124 1.00 0.00 C ATOM 825 O LYS A 593 61.762 0.999 8.776 1.00 0.00 O ATOM 826 CB LYS A 593 61.304 4.214 9.071 1.00 0.00 C ATOM 827 CG LYS A 593 61.550 4.405 10.573 1.00 0.00 C ATOM 828 CD LYS A 593 62.023 5.838 10.838 1.00 0.00 C ATOM 829 CE LYS A 593 60.817 6.729 11.148 1.00 0.00 C ATOM 830 NZ LYS A 593 60.317 6.429 12.520 1.00 0.00 N ATOM 0 H LYS A 593 60.476 1.816 10.602 1.00 0.00 H new ATOM 0 HA LYS A 593 59.599 3.287 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 593 62.257 4.099 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.825 5.103 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.635 4.204 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 593 62.298 3.694 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.722 5.852 11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 593 62.557 6.222 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 593 61.099 7.779 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 593 60.027 6.558 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 59.731 7.220 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 59.746 5.560 12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 61.124 6.298 13.163 1.00 0.00 H new ATOM 844 N PRO A 594 61.327 1.918 6.814 1.00 0.00 N ATOM 845 CA PRO A 594 62.076 0.883 6.041 1.00 0.00 C ATOM 846 C PRO A 594 63.586 0.962 6.229 1.00 0.00 C ATOM 847 O PRO A 594 64.138 1.998 6.541 1.00 0.00 O ATOM 848 CB PRO A 594 61.713 1.237 4.605 1.00 0.00 C ATOM 849 CG PRO A 594 61.237 2.686 4.602 1.00 0.00 C ATOM 850 CD PRO A 594 60.697 2.995 6.001 1.00 0.00 C ATOM 0 HA PRO A 594 61.816 -0.128 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.575 1.114 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.932 0.575 4.232 1.00 0.00 H new ATOM 0 HG2 PRO A 594 62.057 3.359 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.462 2.833 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.989 3.988 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.608 2.952 6.038 1.00 0.00 H new ATOM 858 N TYR A 595 64.241 -0.140 6.018 1.00 0.00 N ATOM 859 CA TYR A 595 65.719 -0.201 6.155 1.00 0.00 C ATOM 860 C TYR A 595 66.207 -1.431 5.394 1.00 0.00 C ATOM 861 O TYR A 595 65.747 -2.527 5.638 1.00 0.00 O ATOM 862 CB TYR A 595 66.099 -0.351 7.633 1.00 0.00 C ATOM 863 CG TYR A 595 65.795 0.926 8.380 1.00 0.00 C ATOM 864 CD1 TYR A 595 66.529 2.085 8.113 1.00 0.00 C ATOM 865 CD2 TYR A 595 64.776 0.949 9.338 1.00 0.00 C ATOM 866 CE1 TYR A 595 66.244 3.269 8.804 1.00 0.00 C ATOM 867 CE2 TYR A 595 64.492 2.132 10.028 1.00 0.00 C ATOM 868 CZ TYR A 595 65.226 3.292 9.761 1.00 0.00 C ATOM 869 OH TYR A 595 64.944 4.459 10.441 1.00 0.00 O ATOM 0 H TYR A 595 63.804 -1.022 5.750 1.00 0.00 H new ATOM 0 HA TYR A 595 66.170 0.710 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.548 -1.180 8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.159 -0.590 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.316 2.067 7.374 1.00 0.00 H new ATOM 0 HD2 TYR A 595 64.209 0.054 9.545 1.00 0.00 H new ATOM 0 HE1 TYR A 595 66.811 4.165 8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 595 63.705 2.150 10.768 1.00 0.00 H new ATOM 0 HH TYR A 595 65.152 5.228 9.871 1.00 0.00 H new ATOM 879 N CYS A 596 67.126 -1.276 4.478 1.00 0.00 N ATOM 880 CA CYS A 596 67.615 -2.468 3.729 1.00 0.00 C ATOM 881 C CYS A 596 68.052 -3.522 4.739 1.00 0.00 C ATOM 882 O CYS A 596 68.585 -3.203 5.782 1.00 0.00 O ATOM 883 CB CYS A 596 68.807 -2.095 2.840 1.00 0.00 C ATOM 884 SG CYS A 596 68.746 -0.336 2.423 1.00 0.00 S ATOM 0 H CYS A 596 67.554 -0.387 4.219 1.00 0.00 H new ATOM 0 HA CYS A 596 66.816 -2.850 3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.740 -2.322 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 596 68.792 -2.693 1.929 1.00 0.00 H new ATOM 889 N GLN A 597 67.834 -4.770 4.443 1.00 0.00 N ATOM 890 CA GLN A 597 68.249 -5.839 5.390 1.00 0.00 C ATOM 891 C GLN A 597 69.703 -5.582 5.785 1.00 0.00 C ATOM 892 O GLN A 597 70.089 -5.754 6.923 1.00 0.00 O ATOM 893 CB GLN A 597 68.091 -7.196 4.694 1.00 0.00 C ATOM 894 CG GLN A 597 69.280 -8.121 4.996 1.00 0.00 C ATOM 895 CD GLN A 597 69.352 -8.429 6.498 1.00 0.00 C ATOM 896 OE1 GLN A 597 68.338 -8.139 7.268 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 70.344 -8.941 6.975 1.00 0.00 N flip ATOM 0 H GLN A 597 67.387 -5.097 3.587 1.00 0.00 H new ATOM 0 HA GLN A 597 67.634 -5.841 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 597 67.166 -7.670 5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.008 -7.047 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 597 69.179 -9.049 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.207 -7.650 4.670 1.00 0.00 H new ATOM 0 HE21 GLN A 597 71.138 -9.169 6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 597 70.383 -9.143 7.974 1.00 0.00 H new ATOM 906 N ASN A 598 70.499 -5.134 4.851 1.00 0.00 N ATOM 907 CA ASN A 598 71.920 -4.821 5.160 1.00 0.00 C ATOM 908 C ASN A 598 71.949 -3.630 6.117 1.00 0.00 C ATOM 909 O ASN A 598 72.729 -3.586 7.046 1.00 0.00 O ATOM 910 CB ASN A 598 72.660 -4.469 3.866 1.00 0.00 C ATOM 911 CG ASN A 598 74.104 -4.079 4.188 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.439 -2.912 4.219 1.00 0.00 O ATOM 913 ND2 ASN A 598 74.980 -5.014 4.433 1.00 0.00 N ATOM 0 H ASN A 598 70.222 -4.971 3.883 1.00 0.00 H new ATOM 0 HA ASN A 598 72.408 -5.681 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 598 72.646 -5.320 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.155 -3.647 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 598 75.945 -4.765 4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 598 74.700 -5.995 4.407 1.00 0.00 H new ATOM 920 N CYS A 599 71.076 -2.676 5.907 1.00 0.00 N ATOM 921 CA CYS A 599 71.017 -1.496 6.816 1.00 0.00 C ATOM 922 C CYS A 599 70.513 -1.979 8.172 1.00 0.00 C ATOM 923 O CYS A 599 71.198 -1.874 9.161 1.00 0.00 O ATOM 924 CB CYS A 599 70.052 -0.445 6.255 1.00 0.00 C ATOM 925 SG CYS A 599 70.957 0.725 5.211 1.00 0.00 S ATOM 0 H CYS A 599 70.401 -2.666 5.142 1.00 0.00 H new ATOM 0 HA CYS A 599 72.004 -1.043 6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.267 -0.931 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.563 0.086 7.072 1.00 0.00 H new ATOM 930 N PHE A 600 69.329 -2.542 8.213 1.00 0.00 N ATOM 931 CA PHE A 600 68.782 -3.074 9.500 1.00 0.00 C ATOM 932 C PHE A 600 69.861 -3.933 10.155 1.00 0.00 C ATOM 933 O PHE A 600 70.139 -3.822 11.332 1.00 0.00 O ATOM 934 CB PHE A 600 67.547 -3.925 9.185 1.00 0.00 C ATOM 935 CG PHE A 600 67.139 -4.747 10.388 1.00 0.00 C ATOM 936 CD1 PHE A 600 67.754 -5.983 10.633 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.137 -4.283 11.248 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.368 -6.751 11.737 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.752 -5.051 12.353 1.00 0.00 C ATOM 940 CZ PHE A 600 66.367 -6.285 12.597 1.00 0.00 C ATOM 0 H PHE A 600 68.716 -2.656 7.406 1.00 0.00 H new ATOM 0 HA PHE A 600 68.500 -2.266 10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.722 -3.279 8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.759 -4.584 8.344 1.00 0.00 H new ATOM 0 HD1 PHE A 600 68.526 -6.342 9.969 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.661 -3.332 11.059 1.00 0.00 H new ATOM 0 HE1 PHE A 600 67.842 -7.703 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 600 64.980 -4.692 13.018 1.00 0.00 H new ATOM 0 HZ PHE A 600 66.069 -6.878 13.449 1.00 0.00 H new ATOM 950 N LEU A 601 70.490 -4.764 9.374 1.00 0.00 N ATOM 951 CA LEU A 601 71.586 -5.622 9.895 1.00 0.00 C ATOM 952 C LEU A 601 72.690 -4.707 10.440 1.00 0.00 C ATOM 953 O LEU A 601 73.448 -5.070 11.316 1.00 0.00 O ATOM 954 CB LEU A 601 72.115 -6.461 8.729 1.00 0.00 C ATOM 955 CG LEU A 601 73.325 -7.288 9.159 1.00 0.00 C ATOM 956 CD1 LEU A 601 72.857 -8.498 9.970 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.064 -7.762 7.906 1.00 0.00 C ATOM 0 H LEU A 601 70.287 -4.886 8.382 1.00 0.00 H new ATOM 0 HA LEU A 601 71.241 -6.281 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.328 -7.122 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.391 -5.808 7.901 1.00 0.00 H new ATOM 0 HG LEU A 601 73.990 -6.683 9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 601 73.721 -9.087 10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.319 -8.157 10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.197 -9.113 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 601 74.931 -8.354 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 601 73.396 -8.372 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.392 -6.898 7.328 1.00 0.00 H new ATOM 969 N LYS A 602 72.761 -3.514 9.916 1.00 0.00 N ATOM 970 CA LYS A 602 73.781 -2.524 10.365 1.00 0.00 C ATOM 971 C LYS A 602 73.227 -1.697 11.531 1.00 0.00 C ATOM 972 O LYS A 602 73.943 -1.343 12.447 1.00 0.00 O ATOM 973 CB LYS A 602 74.093 -1.584 9.196 1.00 0.00 C ATOM 974 CG LYS A 602 75.596 -1.325 9.119 1.00 0.00 C ATOM 975 CD LYS A 602 76.307 -2.545 8.521 1.00 0.00 C ATOM 976 CE LYS A 602 76.072 -2.593 7.008 1.00 0.00 C ATOM 977 NZ LYS A 602 77.162 -3.377 6.361 1.00 0.00 N ATOM 0 H LYS A 602 72.141 -3.177 9.179 1.00 0.00 H new ATOM 0 HA LYS A 602 74.681 -3.046 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.743 -2.024 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.560 -0.642 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.791 -0.444 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.989 -1.116 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.375 -2.494 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.934 -3.458 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.105 -3.048 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.045 -1.582 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.091 -3.283 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.084 -3.016 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.073 -4.379 6.625 1.00 0.00 H new ATOM 991 N LEU A 603 71.960 -1.369 11.492 1.00 0.00 N ATOM 992 CA LEU A 603 71.358 -0.549 12.583 1.00 0.00 C ATOM 993 C LEU A 603 70.928 -1.458 13.735 1.00 0.00 C ATOM 994 O LEU A 603 71.341 -1.284 14.865 1.00 0.00 O ATOM 995 CB LEU A 603 70.123 0.201 12.057 1.00 0.00 C ATOM 996 CG LEU A 603 70.332 0.652 10.606 1.00 0.00 C ATOM 997 CD1 LEU A 603 69.160 1.539 10.178 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.638 1.444 10.478 1.00 0.00 C ATOM 0 H LEU A 603 71.316 -1.636 10.748 1.00 0.00 H new ATOM 0 HA LEU A 603 72.101 0.168 12.932 1.00 0.00 H new ATOM 0 HB2 LEU A 603 69.247 -0.445 12.118 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.924 1.068 12.686 1.00 0.00 H new ATOM 0 HG LEU A 603 70.387 -0.229 9.966 1.00 0.00 H new ATOM 0 HD11 LEU A 603 69.305 1.861 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 603 68.230 0.975 10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 603 69.109 2.413 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.773 1.758 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.595 2.323 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 603 72.476 0.815 10.779 1.00 0.00 H new ATOM 1010 N PHE A 604 70.089 -2.417 13.454 1.00 0.00 N ATOM 1011 CA PHE A 604 69.606 -3.339 14.521 1.00 0.00 C ATOM 1012 C PHE A 604 70.733 -4.280 14.950 1.00 0.00 C ATOM 1013 O PHE A 604 70.694 -4.856 16.021 1.00 0.00 O ATOM 1014 CB PHE A 604 68.435 -4.162 13.983 1.00 0.00 C ATOM 1015 CG PHE A 604 67.605 -4.675 15.138 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.741 -3.809 15.818 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.700 -6.017 15.528 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.971 -4.283 16.886 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.931 -6.491 16.597 1.00 0.00 C ATOM 1020 CZ PHE A 604 66.066 -5.624 17.276 1.00 0.00 C ATOM 0 H PHE A 604 69.714 -2.603 12.524 1.00 0.00 H new ATOM 0 HA PHE A 604 69.283 -2.754 15.382 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.820 -3.550 13.323 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.806 -4.997 13.389 1.00 0.00 H new ATOM 0 HD1 PHE A 604 66.668 -2.774 15.518 1.00 0.00 H new ATOM 0 HD2 PHE A 604 68.367 -6.686 15.004 1.00 0.00 H new ATOM 0 HE1 PHE A 604 65.304 -3.614 17.409 1.00 0.00 H new ATOM 0 HE2 PHE A 604 67.005 -7.526 16.898 1.00 0.00 H new ATOM 0 HZ PHE A 604 65.472 -5.990 18.101 1.00 0.00 H new ATOM 1030 N CYS A 605 71.733 -4.446 14.125 1.00 0.00 N ATOM 1031 CA CYS A 605 72.859 -5.357 14.491 1.00 0.00 C ATOM 1032 C CYS A 605 74.184 -4.775 13.981 1.00 0.00 C ATOM 1033 O CYS A 605 75.094 -5.548 13.721 1.00 0.00 O ATOM 1034 CB CYS A 605 72.614 -6.737 13.866 1.00 0.00 C ATOM 1035 SG CYS A 605 73.502 -7.996 14.817 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.270 -3.565 13.867 1.00 0.00 O ATOM 0 H CYS A 605 71.819 -3.992 13.216 1.00 0.00 H new ATOM 0 HA CYS A 605 72.914 -5.456 15.575 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.547 -6.959 13.856 1.00 0.00 H new ATOM 0 HB3 CYS A 605 72.951 -6.744 12.829 1.00 0.00 H new ATOM 0 HG CYS A 605 73.293 -9.166 14.289 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 56.206 7.456 -5.890 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.390 1.465 3.697 1.00 0.00 ZN