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= -0.0495 X(o=-0.1,f=-0.28) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -171:sc= -0.0542 (180deg=0) USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 SER OG : rot 49:sc= -0.141 USER MOD Single : A 550 SER OG : rot -60:sc= -0.262 USER MOD Single : A 553 GLN :FLIP amide:sc= -2.29 F(o=-5.2!,f=-2.3) USER MOD Single : A 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 THR OG1 : rot 44:sc= 0.557 USER MOD Single : A 560 CYS SG : rot 21:sc= 0.846 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -121:sc= -0.0917 (180deg=-4.75!) USER MOD Single : A 566 LYS NZ :NH3+ -136:sc= -0.204 (180deg=-1.24) USER MOD Single : A 567 LYS NZ :NH3+ -104:sc= 0.241 (180deg=-1.84!) USER MOD Single : A 580 LYS NZ :NH3+ 153:sc= -0.0377 (180deg=-0.295) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 583 ASN :FLIP amide:sc= -0.757 F(o=-2.5!,f=-0.76) USER MOD Single : A 584 LYS NZ :NH3+ -119:sc= 1.15 (180deg=-1.4) USER MOD Single : A 586 THR OG1 : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.384 F(o=-2.4,f=-0.38) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 593 LYS NZ :NH3+ -169:sc= 0.422 (180deg=0.206) USER MOD Single : A 595 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -2.29 F(o=-5.8,f=-2.3) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0206 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 39.309 -5.492 -11.608 1.00 0.00 N ATOM 2 CA TYR A 541 38.035 -4.762 -11.864 1.00 0.00 C ATOM 3 C TYR A 541 38.200 -3.295 -11.465 1.00 0.00 C ATOM 4 O TYR A 541 37.867 -2.397 -12.214 1.00 0.00 O ATOM 5 CB TYR A 541 36.909 -5.394 -11.039 1.00 0.00 C ATOM 6 CG TYR A 541 36.584 -6.762 -11.593 1.00 0.00 C ATOM 7 CD1 TYR A 541 35.597 -6.903 -12.576 1.00 0.00 C ATOM 8 CD2 TYR A 541 37.271 -7.889 -11.124 1.00 0.00 C ATOM 9 CE1 TYR A 541 35.297 -8.170 -13.090 1.00 0.00 C ATOM 10 CE2 TYR A 541 36.970 -9.156 -11.638 1.00 0.00 C ATOM 11 CZ TYR A 541 35.983 -9.296 -12.621 1.00 0.00 C ATOM 12 OH TYR A 541 35.687 -10.545 -13.127 1.00 0.00 O ATOM 0 HA TYR A 541 37.786 -4.824 -12.923 1.00 0.00 H new ATOM 0 HB2 TYR A 541 37.211 -5.475 -9.995 1.00 0.00 H new ATOM 0 HB3 TYR A 541 36.023 -4.759 -11.067 1.00 0.00 H new ATOM 0 HD1 TYR A 541 35.067 -6.034 -12.938 1.00 0.00 H new ATOM 0 HD2 TYR A 541 38.033 -7.781 -10.366 1.00 0.00 H new ATOM 0 HE1 TYR A 541 34.536 -8.279 -13.849 1.00 0.00 H new ATOM 0 HE2 TYR A 541 37.499 -10.025 -11.276 1.00 0.00 H new ATOM 0 HH TYR A 541 36.255 -11.216 -12.694 1.00 0.00 H new ATOM 22 N HIS A 542 38.714 -3.048 -10.290 1.00 0.00 N ATOM 23 CA HIS A 542 38.909 -1.644 -9.831 1.00 0.00 C ATOM 24 C HIS A 542 40.144 -1.052 -10.518 1.00 0.00 C ATOM 25 O HIS A 542 40.085 -0.639 -11.659 1.00 0.00 O ATOM 26 CB HIS A 542 39.099 -1.635 -8.312 1.00 0.00 C ATOM 27 CG HIS A 542 37.818 -2.051 -7.643 1.00 0.00 C ATOM 28 ND1 HIS A 542 36.796 -1.152 -7.380 1.00 0.00 N ATOM 29 CD2 HIS A 542 37.376 -3.266 -7.181 1.00 0.00 C ATOM 30 CE1 HIS A 542 35.800 -1.834 -6.784 1.00 0.00 C ATOM 31 NE2 HIS A 542 36.102 -3.127 -6.639 1.00 0.00 N ATOM 0 H HIS A 542 39.009 -3.763 -9.625 1.00 0.00 H new ATOM 0 HA HIS A 542 38.036 -1.044 -10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 542 39.905 -2.313 -8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 542 39.390 -0.639 -7.977 1.00 0.00 H new ATOM 0 HD2 HIS A 542 37.933 -4.190 -7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 542 34.870 -1.390 -6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 542 35.523 -3.856 -6.221 1.00 0.00 H new ATOM 39 N GLU A 543 41.261 -1.017 -9.831 1.00 0.00 N ATOM 40 CA GLU A 543 42.517 -0.461 -10.427 1.00 0.00 C ATOM 41 C GLU A 543 42.301 1.001 -10.837 1.00 0.00 C ATOM 42 O GLU A 543 42.661 1.911 -10.116 1.00 0.00 O ATOM 43 CB GLU A 543 42.924 -1.291 -11.654 1.00 0.00 C ATOM 44 CG GLU A 543 43.132 -2.755 -11.245 1.00 0.00 C ATOM 45 CD GLU A 543 41.790 -3.495 -11.262 1.00 0.00 C ATOM 46 OE1 GLU A 543 41.197 -3.585 -12.325 1.00 0.00 O ATOM 47 OE2 GLU A 543 41.378 -3.961 -10.212 1.00 0.00 O ATOM 0 H GLU A 543 41.357 -1.354 -8.873 1.00 0.00 H new ATOM 0 HA GLU A 543 43.313 -0.507 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 543 42.153 -1.224 -12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 543 43.841 -0.891 -12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 543 43.832 -3.237 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 543 43.572 -2.805 -10.249 1.00 0.00 H new ATOM 54 N ARG A 544 41.719 1.225 -11.989 1.00 0.00 N ATOM 55 CA ARG A 544 41.467 2.619 -12.471 1.00 0.00 C ATOM 56 C ARG A 544 42.798 3.306 -12.796 1.00 0.00 C ATOM 57 O ARG A 544 43.117 3.541 -13.945 1.00 0.00 O ATOM 58 CB ARG A 544 40.713 3.419 -11.400 1.00 0.00 C ATOM 59 CG ARG A 544 40.094 4.669 -12.032 1.00 0.00 C ATOM 60 CD ARG A 544 38.709 4.327 -12.580 1.00 0.00 C ATOM 61 NE ARG A 544 37.966 5.588 -12.874 1.00 0.00 N ATOM 62 CZ ARG A 544 36.886 5.561 -13.609 1.00 0.00 C ATOM 63 NH1 ARG A 544 36.248 6.669 -13.865 1.00 0.00 N ATOM 64 NH2 ARG A 544 36.443 4.431 -14.087 1.00 0.00 N ATOM 0 H ARG A 544 41.404 0.492 -12.624 1.00 0.00 H new ATOM 0 HA ARG A 544 40.857 2.577 -13.374 1.00 0.00 H new ATOM 0 HB2 ARG A 544 39.934 2.802 -10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 544 41.394 3.704 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG A 544 40.018 5.465 -11.291 1.00 0.00 H new ATOM 0 HG3 ARG A 544 40.733 5.039 -12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 544 38.802 3.727 -13.485 1.00 0.00 H new ATOM 0 HD3 ARG A 544 38.157 3.727 -11.856 1.00 0.00 H new ATOM 0 HE ARG A 544 38.303 6.475 -12.499 1.00 0.00 H new ATOM 0 HH11 ARG A 544 36.592 7.554 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 544 35.405 6.651 -14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 544 36.940 3.563 -13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 544 35.599 4.415 -14.660 1.00 0.00 H new ATOM 78 N ARG A 545 43.574 3.633 -11.795 1.00 0.00 N ATOM 79 CA ARG A 545 44.879 4.308 -12.044 1.00 0.00 C ATOM 80 C ARG A 545 46.018 3.323 -11.813 1.00 0.00 C ATOM 81 O ARG A 545 46.726 2.948 -12.728 1.00 0.00 O ATOM 82 CB ARG A 545 45.040 5.481 -11.086 1.00 0.00 C ATOM 83 CG ARG A 545 43.859 6.429 -11.246 1.00 0.00 C ATOM 84 CD ARG A 545 44.155 7.436 -12.357 1.00 0.00 C ATOM 85 NE ARG A 545 43.768 6.845 -13.673 1.00 0.00 N ATOM 86 CZ ARG A 545 43.674 7.599 -14.736 1.00 0.00 C ATOM 87 NH1 ARG A 545 43.327 7.071 -15.876 1.00 0.00 N ATOM 88 NH2 ARG A 545 43.931 8.876 -14.661 1.00 0.00 N ATOM 0 H ARG A 545 43.358 3.460 -10.813 1.00 0.00 H new ATOM 0 HA ARG A 545 44.903 4.666 -13.073 1.00 0.00 H new ATOM 0 HB2 ARG A 545 45.095 5.121 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 545 45.973 6.006 -11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 545 42.957 5.865 -11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 545 43.670 6.952 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 545 43.603 8.360 -12.183 1.00 0.00 H new ATOM 0 HD3 ARG A 545 45.214 7.693 -12.358 1.00 0.00 H new ATOM 0 HE ARG A 545 43.576 5.846 -13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 545 43.130 6.072 -15.936 1.00 0.00 H new ATOM 0 HH12 ARG A 545 43.253 7.657 -16.708 1.00 0.00 H new ATOM 0 HH21 ARG A 545 44.207 9.289 -13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 545 43.856 9.461 -15.493 1.00 0.00 H new ATOM 102 N GLY A 546 46.206 2.913 -10.589 1.00 0.00 N ATOM 103 CA GLY A 546 47.305 1.962 -10.282 1.00 0.00 C ATOM 104 C GLY A 546 47.560 1.941 -8.775 1.00 0.00 C ATOM 105 O GLY A 546 46.905 1.234 -8.033 1.00 0.00 O ATOM 0 H GLY A 546 45.643 3.198 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 546 47.043 0.963 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 546 48.212 2.256 -10.810 1.00 0.00 H new ATOM 109 N SER A 547 48.512 2.711 -8.320 1.00 0.00 N ATOM 110 CA SER A 547 48.827 2.748 -6.862 1.00 0.00 C ATOM 111 C SER A 547 49.683 3.980 -6.568 1.00 0.00 C ATOM 112 O SER A 547 50.742 4.153 -7.136 1.00 0.00 O ATOM 113 CB SER A 547 49.599 1.484 -6.475 1.00 0.00 C ATOM 114 OG SER A 547 48.781 0.670 -5.645 1.00 0.00 O ATOM 0 H SER A 547 49.089 3.320 -8.900 1.00 0.00 H new ATOM 0 HA SER A 547 47.903 2.796 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.891 0.934 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 547 50.517 1.751 -5.951 1.00 0.00 H new ATOM 0 HG SER A 547 47.896 0.571 -6.054 1.00 0.00 H new ATOM 120 N LEU A 548 49.234 4.842 -5.695 1.00 0.00 N ATOM 121 CA LEU A 548 50.028 6.065 -5.383 1.00 0.00 C ATOM 122 C LEU A 548 51.289 5.684 -4.611 1.00 0.00 C ATOM 123 O LEU A 548 51.255 4.878 -3.702 1.00 0.00 O ATOM 124 CB LEU A 548 49.192 7.030 -4.536 1.00 0.00 C ATOM 125 CG LEU A 548 48.340 7.922 -5.447 1.00 0.00 C ATOM 126 CD1 LEU A 548 47.482 7.055 -6.372 1.00 0.00 C ATOM 127 CD2 LEU A 548 47.429 8.805 -4.589 1.00 0.00 C ATOM 0 H LEU A 548 48.355 4.752 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 548 50.306 6.550 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 548 48.549 6.469 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.846 7.646 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 548 48.997 8.548 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 548 46.880 7.696 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 548 48.128 6.428 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.826 6.423 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.823 9.439 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.777 8.175 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 548 48.038 9.430 -3.936 1.00 0.00 H new ATOM 139 N CYS A 549 52.397 6.279 -4.955 1.00 0.00 N ATOM 140 CA CYS A 549 53.664 5.984 -4.239 1.00 0.00 C ATOM 141 C CYS A 549 53.653 6.763 -2.938 1.00 0.00 C ATOM 142 O CYS A 549 53.714 7.977 -2.940 1.00 0.00 O ATOM 143 CB CYS A 549 54.853 6.428 -5.100 1.00 0.00 C ATOM 144 SG CYS A 549 56.198 7.061 -4.052 1.00 0.00 S ATOM 0 H CYS A 549 52.477 6.962 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 549 53.755 4.916 -4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 549 55.212 5.588 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 549 54.534 7.201 -5.799 1.00 0.00 H new ATOM 149 N SER A 550 53.563 6.089 -1.827 1.00 0.00 N ATOM 150 CA SER A 550 53.543 6.818 -0.535 1.00 0.00 C ATOM 151 C SER A 550 54.733 7.773 -0.522 1.00 0.00 C ATOM 152 O SER A 550 55.878 7.365 -0.530 1.00 0.00 O ATOM 153 CB SER A 550 53.636 5.838 0.629 1.00 0.00 C ATOM 154 OG SER A 550 52.545 4.930 0.565 1.00 0.00 O ATOM 0 H SER A 550 53.503 5.073 -1.760 1.00 0.00 H new ATOM 0 HA SER A 550 52.611 7.373 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.580 5.294 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.620 6.377 1.576 1.00 0.00 H new ATOM 0 HG SER A 550 51.702 5.427 0.623 1.00 0.00 H new ATOM 160 N GLY A 551 54.457 9.040 -0.558 1.00 0.00 N ATOM 161 CA GLY A 551 55.544 10.057 -0.607 1.00 0.00 C ATOM 162 C GLY A 551 55.331 10.900 -1.864 1.00 0.00 C ATOM 163 O GLY A 551 55.653 12.071 -1.907 1.00 0.00 O ATOM 0 H GLY A 551 53.512 9.424 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 551 55.521 10.685 0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 551 56.520 9.573 -0.631 1.00 0.00 H new ATOM 167 N CYS A 552 54.772 10.297 -2.887 1.00 0.00 N ATOM 168 CA CYS A 552 54.507 11.031 -4.158 1.00 0.00 C ATOM 169 C CYS A 552 53.008 11.295 -4.287 1.00 0.00 C ATOM 170 O CYS A 552 52.592 12.245 -4.921 1.00 0.00 O ATOM 171 CB CYS A 552 54.949 10.170 -5.341 1.00 0.00 C ATOM 172 SG CYS A 552 56.667 10.541 -5.749 1.00 0.00 S ATOM 0 H CYS A 552 54.487 9.318 -2.892 1.00 0.00 H new ATOM 0 HA CYS A 552 55.056 11.973 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 552 54.843 9.113 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 552 54.310 10.362 -6.203 1.00 0.00 H new ATOM 177 N GLN A 553 52.196 10.446 -3.707 1.00 0.00 N ATOM 178 CA GLN A 553 50.717 10.621 -3.805 1.00 0.00 C ATOM 179 C GLN A 553 50.313 10.609 -5.282 1.00 0.00 C ATOM 180 O GLN A 553 49.331 11.206 -5.679 1.00 0.00 O ATOM 181 CB GLN A 553 50.302 11.944 -3.151 1.00 0.00 C ATOM 182 CG GLN A 553 50.514 11.855 -1.636 1.00 0.00 C ATOM 183 CD GLN A 553 52.002 12.004 -1.307 1.00 0.00 C ATOM 184 OE1 GLN A 553 52.552 11.189 -0.451 1.00 0.00 O flip ATOM 185 NE2 GLN A 553 52.671 12.873 -1.831 1.00 0.00 N flip ATOM 0 H GLN A 553 52.498 9.635 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 553 50.213 9.807 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 553 50.888 12.765 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 553 49.256 12.158 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 553 49.942 12.635 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 553 50.145 10.899 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 553 52.243 13.512 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 553 53.661 12.963 -1.601 1.00 0.00 H new ATOM 194 N LYS A 554 51.070 9.914 -6.091 1.00 0.00 N ATOM 195 CA LYS A 554 50.762 9.823 -7.546 1.00 0.00 C ATOM 196 C LYS A 554 50.891 8.357 -7.963 1.00 0.00 C ATOM 197 O LYS A 554 51.775 7.661 -7.500 1.00 0.00 O ATOM 198 CB LYS A 554 51.762 10.670 -8.343 1.00 0.00 C ATOM 199 CG LYS A 554 51.548 12.156 -8.037 1.00 0.00 C ATOM 200 CD LYS A 554 50.202 12.613 -8.605 1.00 0.00 C ATOM 201 CE LYS A 554 50.202 14.136 -8.768 1.00 0.00 C ATOM 202 NZ LYS A 554 48.870 14.582 -9.267 1.00 0.00 N ATOM 0 H LYS A 554 51.900 9.399 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 554 49.755 10.191 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 554 52.781 10.380 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 554 51.637 10.488 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 554 51.574 12.323 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 554 52.355 12.746 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 554 50.021 12.134 -9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 554 49.393 12.309 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 554 50.424 14.615 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 554 50.983 14.438 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 48.869 15.616 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 48.676 14.135 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 48.134 14.306 -8.586 1.00 0.00 H new ATOM 216 N PRO A 555 50.014 7.880 -8.815 1.00 0.00 N ATOM 217 CA PRO A 555 50.054 6.461 -9.257 1.00 0.00 C ATOM 218 C PRO A 555 51.452 5.978 -9.630 1.00 0.00 C ATOM 219 O PRO A 555 52.314 6.743 -10.019 1.00 0.00 O ATOM 220 CB PRO A 555 49.137 6.469 -10.472 1.00 0.00 C ATOM 221 CG PRO A 555 48.298 7.751 -10.426 1.00 0.00 C ATOM 222 CD PRO A 555 48.927 8.709 -9.402 1.00 0.00 C ATOM 0 HA PRO A 555 49.749 5.778 -8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 555 49.722 6.430 -11.391 1.00 0.00 H new ATOM 0 HB3 PRO A 555 48.491 5.591 -10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 555 48.265 8.218 -11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 555 47.270 7.521 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 555 49.314 9.612 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 555 48.207 9.028 -8.648 1.00 0.00 H new ATOM 230 N ILE A 556 51.669 4.703 -9.499 1.00 0.00 N ATOM 231 CA ILE A 556 52.994 4.118 -9.821 1.00 0.00 C ATOM 232 C ILE A 556 52.896 3.365 -11.151 1.00 0.00 C ATOM 233 O ILE A 556 52.494 2.218 -11.201 1.00 0.00 O ATOM 234 CB ILE A 556 53.382 3.166 -8.689 1.00 0.00 C ATOM 235 CG1 ILE A 556 53.647 3.984 -7.415 1.00 0.00 C ATOM 236 CG2 ILE A 556 54.641 2.385 -9.073 1.00 0.00 C ATOM 237 CD1 ILE A 556 53.450 3.105 -6.175 1.00 0.00 C ATOM 0 H ILE A 556 50.972 4.031 -9.177 1.00 0.00 H new ATOM 0 HA ILE A 556 53.753 4.895 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 556 52.570 2.460 -8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.662 4.380 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.972 4.839 -7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.911 1.709 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 556 54.449 1.808 -9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 556 55.460 3.081 -9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.640 3.694 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 556 52.427 2.731 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 556 54.143 2.264 -6.211 1.00 0.00 H new ATOM 249 N THR A 557 53.250 4.012 -12.230 1.00 0.00 N ATOM 250 CA THR A 557 53.171 3.351 -13.565 1.00 0.00 C ATOM 251 C THR A 557 54.391 2.449 -13.768 1.00 0.00 C ATOM 252 O THR A 557 55.479 2.910 -14.055 1.00 0.00 O ATOM 253 CB THR A 557 53.126 4.423 -14.659 1.00 0.00 C ATOM 254 OG1 THR A 557 54.199 5.336 -14.469 1.00 0.00 O ATOM 255 CG2 THR A 557 51.794 5.175 -14.586 1.00 0.00 C ATOM 0 H THR A 557 53.592 4.973 -12.244 1.00 0.00 H new ATOM 0 HA THR A 557 52.268 2.742 -13.618 1.00 0.00 H new ATOM 0 HB THR A 557 53.220 3.950 -15.636 1.00 0.00 H new ATOM 0 HG1 THR A 557 55.017 4.840 -14.259 1.00 0.00 H new ATOM 0 HG21 THR A 557 51.763 5.937 -15.365 1.00 0.00 H new ATOM 0 HG22 THR A 557 50.972 4.474 -14.732 1.00 0.00 H new ATOM 0 HG23 THR A 557 51.697 5.650 -13.610 1.00 0.00 H new ATOM 263 N GLY A 558 54.209 1.165 -13.609 1.00 0.00 N ATOM 264 CA GLY A 558 55.336 0.203 -13.774 1.00 0.00 C ATOM 265 C GLY A 558 55.418 -0.660 -12.518 1.00 0.00 C ATOM 266 O GLY A 558 54.422 -0.907 -11.865 1.00 0.00 O ATOM 0 H GLY A 558 53.315 0.737 -13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 558 55.177 -0.421 -14.653 1.00 0.00 H new ATOM 0 HA3 GLY A 558 56.273 0.739 -13.928 1.00 0.00 H new ATOM 270 N ARG A 559 56.591 -1.106 -12.158 1.00 0.00 N ATOM 271 CA ARG A 559 56.718 -1.932 -10.925 1.00 0.00 C ATOM 272 C ARG A 559 56.287 -1.082 -9.732 1.00 0.00 C ATOM 273 O ARG A 559 56.221 0.129 -9.820 1.00 0.00 O ATOM 274 CB ARG A 559 58.174 -2.374 -10.750 1.00 0.00 C ATOM 275 CG ARG A 559 58.415 -3.672 -11.529 1.00 0.00 C ATOM 276 CD ARG A 559 58.299 -4.870 -10.584 1.00 0.00 C ATOM 277 NE ARG A 559 58.349 -6.132 -11.378 1.00 0.00 N ATOM 278 CZ ARG A 559 58.555 -7.279 -10.786 1.00 0.00 C ATOM 279 NH1 ARG A 559 58.601 -8.375 -11.492 1.00 0.00 N ATOM 280 NH2 ARG A 559 58.714 -7.333 -9.492 1.00 0.00 N ATOM 0 H ARG A 559 57.462 -0.935 -12.661 1.00 0.00 H new ATOM 0 HA ARG A 559 56.089 -2.819 -10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 559 58.847 -1.594 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 559 58.394 -2.526 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 559 57.689 -3.762 -12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 559 59.403 -3.653 -11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 559 59.110 -4.853 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 559 57.366 -4.816 -10.023 1.00 0.00 H new ATOM 0 HE ARG A 559 58.222 -6.100 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 559 58.476 -8.336 -12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 559 58.762 -9.271 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 559 58.678 -6.478 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 559 58.874 -8.231 -9.035 1.00 0.00 H new ATOM 294 N CYS A 560 55.983 -1.695 -8.623 1.00 0.00 N ATOM 295 CA CYS A 560 55.550 -0.900 -7.440 1.00 0.00 C ATOM 296 C CYS A 560 55.838 -1.670 -6.156 1.00 0.00 C ATOM 297 O CYS A 560 55.607 -2.860 -6.063 1.00 0.00 O ATOM 298 CB CYS A 560 54.050 -0.614 -7.542 1.00 0.00 C ATOM 299 SG CYS A 560 53.120 -2.152 -7.322 1.00 0.00 S ATOM 0 H CYS A 560 56.015 -2.705 -8.484 1.00 0.00 H new ATOM 0 HA CYS A 560 56.102 0.040 -7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.756 0.112 -6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.819 -0.173 -8.512 1.00 0.00 H new ATOM 0 HG CYS A 560 53.866 -3.028 -6.717 1.00 0.00 H new ATOM 305 N ILE A 561 56.343 -0.990 -5.165 1.00 0.00 N ATOM 306 CA ILE A 561 56.653 -1.660 -3.872 1.00 0.00 C ATOM 307 C ILE A 561 55.451 -1.535 -2.938 1.00 0.00 C ATOM 308 O ILE A 561 54.735 -0.553 -2.964 1.00 0.00 O ATOM 309 CB ILE A 561 57.866 -0.987 -3.222 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.891 -0.605 -4.300 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.506 -1.948 -2.216 1.00 0.00 C ATOM 312 CD1 ILE A 561 59.399 -1.861 -5.015 1.00 0.00 C ATOM 0 H ILE A 561 56.555 0.007 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 561 56.873 -2.712 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 561 57.542 -0.084 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 561 58.436 0.074 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.727 -0.073 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.369 -1.469 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.779 -2.206 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.826 -2.854 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 561 60.125 -1.577 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.873 -2.525 -4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.561 -2.376 -5.486 1.00 0.00 H new ATOM 324 N THR A 562 55.236 -2.517 -2.106 1.00 0.00 N ATOM 325 CA THR A 562 54.093 -2.463 -1.151 1.00 0.00 C ATOM 326 C THR A 562 54.631 -2.678 0.261 1.00 0.00 C ATOM 327 O THR A 562 55.007 -3.773 0.633 1.00 0.00 O ATOM 328 CB THR A 562 53.079 -3.560 -1.488 1.00 0.00 C ATOM 329 OG1 THR A 562 52.585 -3.355 -2.805 1.00 0.00 O ATOM 330 CG2 THR A 562 51.917 -3.511 -0.492 1.00 0.00 C ATOM 0 H THR A 562 55.807 -3.360 -2.047 1.00 0.00 H new ATOM 0 HA THR A 562 53.597 -1.495 -1.221 1.00 0.00 H new ATOM 0 HB THR A 562 53.564 -4.534 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.937 -4.057 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.197 -4.293 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.296 -3.667 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.429 -2.538 -0.550 1.00 0.00 H new ATOM 338 N ALA A 563 54.680 -1.638 1.045 1.00 0.00 N ATOM 339 CA ALA A 563 55.205 -1.771 2.433 1.00 0.00 C ATOM 340 C ALA A 563 54.050 -2.081 3.386 1.00 0.00 C ATOM 341 O ALA A 563 53.265 -2.978 3.145 1.00 0.00 O ATOM 342 CB ALA A 563 55.886 -0.461 2.837 1.00 0.00 C ATOM 0 H ALA A 563 54.378 -0.699 0.784 1.00 0.00 H new ATOM 0 HA ALA A 563 55.930 -2.583 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.273 -0.550 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.708 -0.252 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.163 0.353 2.795 1.00 0.00 H new ATOM 348 N MET A 564 53.936 -1.344 4.459 1.00 0.00 N ATOM 349 CA MET A 564 52.828 -1.582 5.425 1.00 0.00 C ATOM 350 C MET A 564 51.524 -1.114 4.783 1.00 0.00 C ATOM 351 O MET A 564 50.876 -0.200 5.255 1.00 0.00 O ATOM 352 CB MET A 564 53.089 -0.780 6.698 1.00 0.00 C ATOM 353 CG MET A 564 54.422 -1.210 7.317 1.00 0.00 C ATOM 354 SD MET A 564 54.935 0.007 8.556 1.00 0.00 S ATOM 355 CE MET A 564 56.721 -0.257 8.421 1.00 0.00 C ATOM 0 H MET A 564 54.568 -0.583 4.708 1.00 0.00 H new ATOM 0 HA MET A 564 52.763 -2.641 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.110 0.286 6.470 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.279 -0.937 7.410 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.321 -2.193 7.778 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.183 -1.298 6.542 1.00 0.00 H new ATOM 0 HE1 MET A 564 57.118 -0.560 9.390 1.00 0.00 H new ATOM 0 HE2 MET A 564 56.919 -1.039 7.687 1.00 0.00 H new ATOM 0 HE3 MET A 564 57.203 0.668 8.104 1.00 0.00 H new ATOM 365 N ALA A 565 51.167 -1.719 3.683 1.00 0.00 N ATOM 366 CA ALA A 565 49.931 -1.319 2.948 1.00 0.00 C ATOM 367 C ALA A 565 50.228 -0.032 2.176 1.00 0.00 C ATOM 368 O ALA A 565 49.463 0.393 1.332 1.00 0.00 O ATOM 369 CB ALA A 565 48.772 -1.089 3.927 1.00 0.00 C ATOM 0 H ALA A 565 51.687 -2.485 3.255 1.00 0.00 H new ATOM 0 HA ALA A 565 49.638 -2.113 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.880 -0.798 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.573 -2.008 4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.039 -0.297 4.627 1.00 0.00 H new ATOM 375 N LYS A 566 51.350 0.581 2.461 1.00 0.00 N ATOM 376 CA LYS A 566 51.734 1.836 1.756 1.00 0.00 C ATOM 377 C LYS A 566 52.550 1.480 0.514 1.00 0.00 C ATOM 378 O LYS A 566 53.432 0.646 0.561 1.00 0.00 O ATOM 379 CB LYS A 566 52.585 2.698 2.691 1.00 0.00 C ATOM 380 CG LYS A 566 51.717 3.792 3.317 1.00 0.00 C ATOM 381 CD LYS A 566 52.580 4.663 4.233 1.00 0.00 C ATOM 382 CE LYS A 566 52.933 3.881 5.502 1.00 0.00 C ATOM 383 NZ LYS A 566 54.297 3.294 5.362 1.00 0.00 N ATOM 0 H LYS A 566 52.021 0.260 3.159 1.00 0.00 H new ATOM 0 HA LYS A 566 50.839 2.386 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.025 2.078 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.410 3.147 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.264 4.403 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.901 3.344 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 566 53.490 4.964 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 566 52.045 5.576 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.896 4.540 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.201 3.091 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 54.288 2.311 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.582 3.313 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 54.973 3.848 5.925 1.00 0.00 H new ATOM 397 N LYS A 567 52.263 2.103 -0.598 1.00 0.00 N ATOM 398 CA LYS A 567 53.021 1.795 -1.840 1.00 0.00 C ATOM 399 C LYS A 567 54.170 2.784 -1.996 1.00 0.00 C ATOM 400 O LYS A 567 54.256 3.764 -1.287 1.00 0.00 O ATOM 401 CB LYS A 567 52.085 1.893 -3.046 1.00 0.00 C ATOM 402 CG LYS A 567 51.287 0.594 -3.174 1.00 0.00 C ATOM 403 CD LYS A 567 50.573 0.297 -1.851 1.00 0.00 C ATOM 404 CE LYS A 567 49.429 -0.686 -2.096 1.00 0.00 C ATOM 405 NZ LYS A 567 49.127 -1.422 -0.835 1.00 0.00 N ATOM 0 H LYS A 567 51.536 2.811 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 567 53.425 0.784 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.408 2.739 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.661 2.070 -3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.559 0.681 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.953 -0.230 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.277 -0.121 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 567 50.187 1.220 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.543 -0.151 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.702 -1.389 -2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.514 -2.385 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.559 -0.924 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.097 -1.471 -0.700 1.00 0.00 H new ATOM 419 N PHE A 568 55.056 2.525 -2.915 1.00 0.00 N ATOM 420 CA PHE A 568 56.218 3.437 -3.126 1.00 0.00 C ATOM 421 C PHE A 568 56.768 3.222 -4.531 1.00 0.00 C ATOM 422 O PHE A 568 56.911 2.098 -4.974 1.00 0.00 O ATOM 423 CB PHE A 568 57.339 3.084 -2.139 1.00 0.00 C ATOM 424 CG PHE A 568 56.995 3.526 -0.735 1.00 0.00 C ATOM 425 CD1 PHE A 568 56.362 2.636 0.144 1.00 0.00 C ATOM 426 CD2 PHE A 568 57.328 4.815 -0.304 1.00 0.00 C ATOM 427 CE1 PHE A 568 56.062 3.037 1.451 1.00 0.00 C ATOM 428 CE2 PHE A 568 57.025 5.216 1.003 1.00 0.00 C ATOM 429 CZ PHE A 568 56.393 4.327 1.880 1.00 0.00 C ATOM 0 H PHE A 568 55.027 1.715 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 568 55.890 4.467 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.512 2.008 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 568 58.268 3.560 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 568 56.106 1.641 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 568 57.819 5.500 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.575 2.351 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 568 57.279 6.212 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.161 4.637 2.888 1.00 0.00 H new ATOM 439 N HIS A 569 57.121 4.273 -5.224 1.00 0.00 N ATOM 440 CA HIS A 569 57.711 4.074 -6.575 1.00 0.00 C ATOM 441 C HIS A 569 58.946 3.193 -6.384 1.00 0.00 C ATOM 442 O HIS A 569 59.712 3.408 -5.464 1.00 0.00 O ATOM 443 CB HIS A 569 58.143 5.417 -7.177 1.00 0.00 C ATOM 444 CG HIS A 569 56.972 6.102 -7.830 1.00 0.00 C ATOM 445 ND1 HIS A 569 56.467 7.299 -7.351 1.00 0.00 N ATOM 446 CD2 HIS A 569 56.209 5.785 -8.927 1.00 0.00 C ATOM 447 CE1 HIS A 569 55.446 7.660 -8.149 1.00 0.00 C ATOM 448 NE2 HIS A 569 55.247 6.770 -9.125 1.00 0.00 N ATOM 0 H HIS A 569 57.028 5.242 -4.919 1.00 0.00 H new ATOM 0 HA HIS A 569 56.984 3.619 -7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 569 58.557 6.056 -6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.933 5.256 -7.910 1.00 0.00 H new ATOM 0 HD2 HIS A 569 56.336 4.906 -9.542 1.00 0.00 H new ATOM 0 HE1 HIS A 569 54.860 8.558 -8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 569 54.540 6.805 -9.859 1.00 0.00 H new ATOM 456 N PRO A 570 59.141 2.205 -7.216 1.00 0.00 N ATOM 457 CA PRO A 570 60.318 1.299 -7.081 1.00 0.00 C ATOM 458 C PRO A 570 61.642 2.059 -6.928 1.00 0.00 C ATOM 459 O PRO A 570 62.675 1.478 -6.654 1.00 0.00 O ATOM 460 CB PRO A 570 60.268 0.519 -8.393 1.00 0.00 C ATOM 461 CG PRO A 570 58.857 0.671 -8.971 1.00 0.00 C ATOM 462 CD PRO A 570 58.216 1.911 -8.342 1.00 0.00 C ATOM 0 HA PRO A 570 60.275 0.676 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 570 61.011 0.900 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 570 60.500 -0.532 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.899 0.773 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 570 58.260 -0.216 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 570 58.156 2.740 -9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 570 57.202 1.714 -7.995 1.00 0.00 H new ATOM 470 N GLU A 571 61.608 3.354 -7.094 1.00 0.00 N ATOM 471 CA GLU A 571 62.843 4.174 -6.954 1.00 0.00 C ATOM 472 C GLU A 571 62.691 5.141 -5.770 1.00 0.00 C ATOM 473 O GLU A 571 63.651 5.743 -5.328 1.00 0.00 O ATOM 474 CB GLU A 571 63.059 4.968 -8.242 1.00 0.00 C ATOM 475 CG GLU A 571 61.961 6.024 -8.377 1.00 0.00 C ATOM 476 CD GLU A 571 61.643 6.259 -9.855 1.00 0.00 C ATOM 477 OE1 GLU A 571 62.401 6.964 -10.500 1.00 0.00 O ATOM 478 OE2 GLU A 571 60.645 5.729 -10.316 1.00 0.00 O ATOM 0 H GLU A 571 60.767 3.883 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 571 63.699 3.523 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 571 64.039 5.446 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 571 63.043 4.299 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 571 61.064 5.698 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.282 6.956 -7.912 1.00 0.00 H new ATOM 485 N HIS A 572 61.494 5.294 -5.249 1.00 0.00 N ATOM 486 CA HIS A 572 61.289 6.222 -4.092 1.00 0.00 C ATOM 487 C HIS A 572 61.221 5.413 -2.800 1.00 0.00 C ATOM 488 O HIS A 572 61.328 5.951 -1.715 1.00 0.00 O ATOM 489 CB HIS A 572 59.995 7.023 -4.285 1.00 0.00 C ATOM 490 CG HIS A 572 60.163 7.920 -5.483 1.00 0.00 C ATOM 491 ND1 HIS A 572 59.092 8.484 -6.169 1.00 0.00 N ATOM 492 CD2 HIS A 572 61.292 8.356 -6.136 1.00 0.00 C ATOM 493 CE1 HIS A 572 59.602 9.212 -7.181 1.00 0.00 C ATOM 494 NE2 HIS A 572 60.932 9.167 -7.203 1.00 0.00 N ATOM 0 H HIS A 572 60.654 4.817 -5.575 1.00 0.00 H new ATOM 0 HA HIS A 572 62.124 6.920 -4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 572 59.151 6.349 -4.432 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.780 7.615 -3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 572 62.306 8.105 -5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 572 59.004 9.766 -7.889 1.00 0.00 H new ATOM 0 HE2 HIS A 572 61.555 9.631 -7.864 1.00 0.00 H new ATOM 502 N PHE A 573 61.074 4.119 -2.908 1.00 0.00 N ATOM 503 CA PHE A 573 61.034 3.271 -1.690 1.00 0.00 C ATOM 504 C PHE A 573 62.462 3.134 -1.177 1.00 0.00 C ATOM 505 O PHE A 573 63.179 2.225 -1.543 1.00 0.00 O ATOM 506 CB PHE A 573 60.480 1.888 -2.038 1.00 0.00 C ATOM 507 CG PHE A 573 60.343 1.061 -0.778 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.576 1.533 0.295 1.00 0.00 C ATOM 509 CD2 PHE A 573 60.985 -0.180 -0.683 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.450 0.766 1.458 1.00 0.00 C ATOM 511 CE2 PHE A 573 60.859 -0.947 0.481 1.00 0.00 C ATOM 512 CZ PHE A 573 60.092 -0.474 1.552 1.00 0.00 C ATOM 0 H PHE A 573 60.980 3.616 -3.790 1.00 0.00 H new ATOM 0 HA PHE A 573 60.393 3.721 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.511 1.986 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 573 61.143 1.387 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 573 59.081 2.490 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 573 61.578 -0.545 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 573 58.857 1.131 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.354 -1.904 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 573 59.996 -1.066 2.450 1.00 0.00 H new ATOM 522 N VAL A 574 62.888 4.050 -0.358 1.00 0.00 N ATOM 523 CA VAL A 574 64.284 3.997 0.160 1.00 0.00 C ATOM 524 C VAL A 574 64.292 3.592 1.635 1.00 0.00 C ATOM 525 O VAL A 574 63.263 3.493 2.276 1.00 0.00 O ATOM 526 CB VAL A 574 64.939 5.372 0.003 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.953 5.771 -1.476 1.00 0.00 C ATOM 528 CG2 VAL A 574 64.149 6.414 0.805 1.00 0.00 C ATOM 0 H VAL A 574 62.330 4.836 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 574 64.843 3.255 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 574 65.962 5.326 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 574 65.420 6.750 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 574 65.519 5.034 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.930 5.813 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 574 64.617 7.392 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 574 63.124 6.457 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 574 64.143 6.134 1.859 1.00 0.00 H new ATOM 538 N CYS A 575 65.460 3.355 2.170 1.00 0.00 N ATOM 539 CA CYS A 575 65.580 2.950 3.599 1.00 0.00 C ATOM 540 C CYS A 575 65.424 4.172 4.503 1.00 0.00 C ATOM 541 O CYS A 575 66.066 5.184 4.302 1.00 0.00 O ATOM 542 CB CYS A 575 66.964 2.339 3.820 1.00 0.00 C ATOM 543 SG CYS A 575 67.285 2.166 5.595 1.00 0.00 S ATOM 0 H CYS A 575 66.346 3.426 1.670 1.00 0.00 H new ATOM 0 HA CYS A 575 64.801 2.226 3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.023 1.365 3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.727 2.970 3.363 1.00 0.00 H new ATOM 548 N ALA A 576 64.586 4.081 5.503 1.00 0.00 N ATOM 549 CA ALA A 576 64.401 5.236 6.434 1.00 0.00 C ATOM 550 C ALA A 576 65.649 5.385 7.320 1.00 0.00 C ATOM 551 O ALA A 576 65.558 5.616 8.511 1.00 0.00 O ATOM 552 CB ALA A 576 63.170 4.993 7.310 1.00 0.00 C ATOM 0 H ALA A 576 64.022 3.258 5.716 1.00 0.00 H new ATOM 0 HA ALA A 576 64.258 6.150 5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 576 63.035 5.835 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.288 4.891 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.309 4.079 7.888 1.00 0.00 H new ATOM 558 N PHE A 577 66.813 5.259 6.736 1.00 0.00 N ATOM 559 CA PHE A 577 68.083 5.394 7.508 1.00 0.00 C ATOM 560 C PHE A 577 69.138 6.010 6.593 1.00 0.00 C ATOM 561 O PHE A 577 69.643 7.088 6.842 1.00 0.00 O ATOM 562 CB PHE A 577 68.559 4.011 7.966 1.00 0.00 C ATOM 563 CG PHE A 577 69.510 4.156 9.133 1.00 0.00 C ATOM 564 CD1 PHE A 577 69.047 4.651 10.359 1.00 0.00 C ATOM 565 CD2 PHE A 577 70.854 3.791 8.989 1.00 0.00 C ATOM 566 CE1 PHE A 577 69.929 4.782 11.438 1.00 0.00 C ATOM 567 CE2 PHE A 577 71.735 3.923 10.068 1.00 0.00 C ATOM 568 CZ PHE A 577 71.272 4.418 11.293 1.00 0.00 C ATOM 0 H PHE A 577 66.938 5.065 5.742 1.00 0.00 H new ATOM 0 HA PHE A 577 67.922 6.024 8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.704 3.400 8.256 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.055 3.496 7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 577 68.010 4.931 10.472 1.00 0.00 H new ATOM 0 HD2 PHE A 577 71.211 3.407 8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 577 69.573 5.164 12.383 1.00 0.00 H new ATOM 0 HE2 PHE A 577 72.772 3.643 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 577 71.952 4.519 12.126 1.00 0.00 H new ATOM 578 N CYS A 578 69.458 5.329 5.526 1.00 0.00 N ATOM 579 CA CYS A 578 70.468 5.856 4.565 1.00 0.00 C ATOM 580 C CYS A 578 69.735 6.509 3.390 1.00 0.00 C ATOM 581 O CYS A 578 70.290 7.313 2.667 1.00 0.00 O ATOM 582 CB CYS A 578 71.340 4.706 4.056 1.00 0.00 C ATOM 583 SG CYS A 578 70.305 3.257 3.735 1.00 0.00 S ATOM 0 H CYS A 578 69.060 4.423 5.277 1.00 0.00 H new ATOM 0 HA CYS A 578 71.104 6.591 5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.858 5.005 3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 578 72.106 4.463 4.793 1.00 0.00 H new ATOM 588 N LEU A 579 68.482 6.169 3.211 1.00 0.00 N ATOM 589 CA LEU A 579 67.672 6.758 2.101 1.00 0.00 C ATOM 590 C LEU A 579 68.375 6.551 0.754 1.00 0.00 C ATOM 591 O LEU A 579 68.095 7.235 -0.211 1.00 0.00 O ATOM 592 CB LEU A 579 67.470 8.258 2.350 1.00 0.00 C ATOM 593 CG LEU A 579 66.746 8.467 3.686 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.755 8.879 4.761 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.691 9.567 3.531 1.00 0.00 C ATOM 0 H LEU A 579 67.980 5.500 3.795 1.00 0.00 H new ATOM 0 HA LEU A 579 66.704 6.258 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 579 68.434 8.767 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 579 66.890 8.696 1.538 1.00 0.00 H new ATOM 0 HG LEU A 579 66.262 7.536 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.237 9.027 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.505 8.096 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 579 68.243 9.808 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 579 65.177 9.715 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 579 66.176 10.496 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.969 9.274 2.769 1.00 0.00 H new ATOM 607 N LYS A 580 69.278 5.609 0.678 1.00 0.00 N ATOM 608 CA LYS A 580 69.987 5.358 -0.612 1.00 0.00 C ATOM 609 C LYS A 580 69.011 4.714 -1.602 1.00 0.00 C ATOM 610 O LYS A 580 68.814 5.195 -2.701 1.00 0.00 O ATOM 611 CB LYS A 580 71.183 4.425 -0.370 1.00 0.00 C ATOM 612 CG LYS A 580 70.698 3.083 0.195 1.00 0.00 C ATOM 613 CD LYS A 580 71.861 2.355 0.877 1.00 0.00 C ATOM 614 CE LYS A 580 71.981 0.935 0.318 1.00 0.00 C ATOM 615 NZ LYS A 580 72.389 0.997 -1.115 1.00 0.00 N ATOM 0 H LYS A 580 69.555 5.004 1.451 1.00 0.00 H new ATOM 0 HA LYS A 580 70.352 6.299 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.722 4.262 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.882 4.890 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.892 3.249 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 580 70.291 2.466 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.790 2.900 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.699 2.319 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.714 0.368 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 580 71.029 0.413 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.900 0.127 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.543 1.088 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 73.009 1.819 -1.264 1.00 0.00 H new ATOM 629 N GLN A 581 68.395 3.632 -1.207 1.00 0.00 N ATOM 630 CA GLN A 581 67.420 2.931 -2.087 1.00 0.00 C ATOM 631 C GLN A 581 66.891 1.723 -1.325 1.00 0.00 C ATOM 632 O GLN A 581 67.513 1.259 -0.388 1.00 0.00 O ATOM 633 CB GLN A 581 68.106 2.462 -3.377 1.00 0.00 C ATOM 634 CG GLN A 581 67.236 2.824 -4.586 1.00 0.00 C ATOM 635 CD GLN A 581 66.709 1.549 -5.242 1.00 0.00 C ATOM 636 OE1 GLN A 581 65.553 1.078 -4.873 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 67.355 0.977 -6.097 1.00 0.00 N flip ATOM 0 H GLN A 581 68.530 3.198 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 581 66.608 3.606 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 581 69.086 2.929 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 581 68.268 1.385 -3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 581 66.403 3.453 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.818 3.401 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 581 68.261 1.347 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 581 66.992 0.126 -6.527 1.00 0.00 H new ATOM 646 N LEU A 582 65.754 1.209 -1.697 1.00 0.00 N ATOM 647 CA LEU A 582 65.213 0.037 -0.959 1.00 0.00 C ATOM 648 C LEU A 582 64.201 -0.721 -1.819 1.00 0.00 C ATOM 649 O LEU A 582 63.669 -0.204 -2.783 1.00 0.00 O ATOM 650 CB LEU A 582 64.539 0.528 0.326 1.00 0.00 C ATOM 651 CG LEU A 582 64.621 -0.556 1.397 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.066 -0.703 1.877 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.724 -0.170 2.574 1.00 0.00 C ATOM 0 H LEU A 582 65.181 1.545 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 582 66.030 -0.642 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 582 65.025 1.438 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.497 0.779 0.128 1.00 0.00 H new ATOM 0 HG LEU A 582 64.287 -1.506 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.118 -1.478 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.702 -0.979 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.408 0.243 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.779 -0.942 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.058 0.780 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.694 -0.073 2.230 1.00 0.00 H new ATOM 665 N ASN A 583 63.938 -1.952 -1.466 1.00 0.00 N ATOM 666 CA ASN A 583 62.966 -2.777 -2.236 1.00 0.00 C ATOM 667 C ASN A 583 62.369 -3.837 -1.304 1.00 0.00 C ATOM 668 O ASN A 583 63.083 -4.567 -0.644 1.00 0.00 O ATOM 669 CB ASN A 583 63.687 -3.457 -3.403 1.00 0.00 C ATOM 670 CG ASN A 583 62.671 -4.192 -4.280 1.00 0.00 C ATOM 671 OD1 ASN A 583 62.614 -5.494 -4.240 1.00 0.00 O flip ATOM 672 ND2 ASN A 583 61.920 -3.575 -5.008 1.00 0.00 N flip ATOM 0 H ASN A 583 64.361 -2.425 -0.667 1.00 0.00 H new ATOM 0 HA ASN A 583 62.170 -2.146 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 583 64.222 -2.714 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.430 -4.159 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 583 61.963 -2.556 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 583 61.246 -4.075 -5.587 1.00 0.00 H new ATOM 679 N LYS A 584 61.064 -3.918 -1.246 1.00 0.00 N ATOM 680 CA LYS A 584 60.397 -4.922 -0.359 1.00 0.00 C ATOM 681 C LYS A 584 61.009 -6.309 -0.591 1.00 0.00 C ATOM 682 O LYS A 584 61.007 -7.153 0.284 1.00 0.00 O ATOM 683 CB LYS A 584 58.897 -4.951 -0.692 1.00 0.00 C ATOM 684 CG LYS A 584 58.252 -6.255 -0.198 1.00 0.00 C ATOM 685 CD LYS A 584 58.318 -6.329 1.332 1.00 0.00 C ATOM 686 CE LYS A 584 57.226 -5.445 1.943 1.00 0.00 C ATOM 687 NZ LYS A 584 55.887 -6.039 1.663 1.00 0.00 N ATOM 0 H LYS A 584 60.426 -3.327 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 584 60.540 -4.647 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.401 -4.097 -0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 584 58.757 -4.856 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.214 -6.304 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 584 58.766 -7.112 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.190 -7.360 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.299 -6.003 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 584 57.377 -5.354 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.283 -4.439 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 55.322 -5.371 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 56.005 -6.926 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 55.400 -6.235 2.561 1.00 0.00 H new ATOM 701 N GLY A 585 61.521 -6.543 -1.769 1.00 0.00 N ATOM 702 CA GLY A 585 62.127 -7.869 -2.090 1.00 0.00 C ATOM 703 C GLY A 585 63.096 -8.314 -0.990 1.00 0.00 C ATOM 704 O GLY A 585 63.179 -9.485 -0.675 1.00 0.00 O ATOM 0 H GLY A 585 61.546 -5.865 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 585 61.339 -8.613 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.655 -7.810 -3.042 1.00 0.00 H new ATOM 708 N THR A 586 63.838 -7.404 -0.409 1.00 0.00 N ATOM 709 CA THR A 586 64.805 -7.810 0.658 1.00 0.00 C ATOM 710 C THR A 586 65.001 -6.679 1.673 1.00 0.00 C ATOM 711 O THR A 586 66.089 -6.480 2.180 1.00 0.00 O ATOM 712 CB THR A 586 66.158 -8.150 0.018 1.00 0.00 C ATOM 713 OG1 THR A 586 66.592 -7.055 -0.776 1.00 0.00 O ATOM 714 CG2 THR A 586 66.022 -9.396 -0.861 1.00 0.00 C ATOM 0 H THR A 586 63.817 -6.407 -0.624 1.00 0.00 H new ATOM 0 HA THR A 586 64.403 -8.681 1.175 1.00 0.00 H new ATOM 0 HB THR A 586 66.888 -8.346 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 586 67.457 -7.269 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 586 66.986 -9.631 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 586 65.692 -10.237 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 586 65.290 -9.209 -1.647 1.00 0.00 H new ATOM 722 N PHE A 587 63.968 -5.944 1.991 1.00 0.00 N ATOM 723 CA PHE A 587 64.128 -4.847 2.989 1.00 0.00 C ATOM 724 C PHE A 587 63.689 -5.339 4.367 1.00 0.00 C ATOM 725 O PHE A 587 63.246 -6.459 4.539 1.00 0.00 O ATOM 726 CB PHE A 587 63.275 -3.626 2.590 1.00 0.00 C ATOM 727 CG PHE A 587 61.947 -3.645 3.322 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.553 -2.539 4.087 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.113 -4.768 3.241 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.331 -2.557 4.769 1.00 0.00 C ATOM 731 CE2 PHE A 587 59.892 -4.785 3.923 1.00 0.00 C ATOM 732 CZ PHE A 587 59.500 -3.680 4.687 1.00 0.00 C ATOM 0 H PHE A 587 63.029 -6.054 1.607 1.00 0.00 H new ATOM 0 HA PHE A 587 65.177 -4.553 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 587 63.813 -2.707 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.104 -3.630 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.193 -1.672 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 587 61.413 -5.621 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.029 -1.704 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 587 59.251 -5.652 3.860 1.00 0.00 H new ATOM 0 HZ PHE A 587 58.557 -3.694 5.213 1.00 0.00 H new ATOM 742 N LYS A 588 63.790 -4.482 5.336 1.00 0.00 N ATOM 743 CA LYS A 588 63.368 -4.821 6.719 1.00 0.00 C ATOM 744 C LYS A 588 62.694 -3.580 7.303 1.00 0.00 C ATOM 745 O LYS A 588 62.750 -2.516 6.721 1.00 0.00 O ATOM 746 CB LYS A 588 64.595 -5.187 7.559 1.00 0.00 C ATOM 747 CG LYS A 588 65.102 -6.589 7.191 1.00 0.00 C ATOM 748 CD LYS A 588 64.039 -7.650 7.501 1.00 0.00 C ATOM 749 CE LYS A 588 63.484 -7.445 8.913 1.00 0.00 C ATOM 750 NZ LYS A 588 62.660 -8.626 9.298 1.00 0.00 N ATOM 0 H LYS A 588 64.157 -3.537 5.226 1.00 0.00 H new ATOM 0 HA LYS A 588 62.685 -5.670 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.385 -4.454 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.341 -5.153 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.358 -6.622 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.014 -6.808 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 588 63.231 -7.589 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.473 -8.646 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 588 64.302 -7.312 9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 588 62.880 -6.539 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 62.282 -8.488 10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 61.872 -8.733 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 63.250 -9.482 9.278 1.00 0.00 H new ATOM 764 N GLU A 589 62.057 -3.690 8.435 1.00 0.00 N ATOM 765 CA GLU A 589 61.394 -2.491 9.016 1.00 0.00 C ATOM 766 C GLU A 589 61.601 -2.454 10.529 1.00 0.00 C ATOM 767 O GLU A 589 61.738 -3.472 11.181 1.00 0.00 O ATOM 768 CB GLU A 589 59.894 -2.515 8.690 1.00 0.00 C ATOM 769 CG GLU A 589 59.135 -3.313 9.754 1.00 0.00 C ATOM 770 CD GLU A 589 57.791 -3.776 9.184 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.796 -4.688 8.374 1.00 0.00 O ATOM 772 OE2 GLU A 589 56.781 -3.208 9.566 1.00 0.00 O ATOM 0 H GLU A 589 61.967 -4.549 8.978 1.00 0.00 H new ATOM 0 HA GLU A 589 61.839 -1.596 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.508 -1.497 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 589 59.735 -2.961 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 589 59.725 -4.174 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 589 58.974 -2.698 10.639 1.00 0.00 H new ATOM 779 N GLN A 590 61.618 -1.277 11.082 1.00 0.00 N ATOM 780 CA GLN A 590 61.805 -1.121 12.546 1.00 0.00 C ATOM 781 C GLN A 590 61.139 0.183 12.973 1.00 0.00 C ATOM 782 O GLN A 590 61.119 1.142 12.232 1.00 0.00 O ATOM 783 CB GLN A 590 63.301 -1.057 12.866 1.00 0.00 C ATOM 784 CG GLN A 590 63.517 -1.209 14.375 1.00 0.00 C ATOM 785 CD GLN A 590 63.282 -2.664 14.788 1.00 0.00 C ATOM 786 OE1 GLN A 590 63.690 -3.624 14.007 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 62.721 -2.928 15.832 1.00 0.00 N flip ATOM 0 H GLN A 590 61.508 -0.401 10.571 1.00 0.00 H new ATOM 0 HA GLN A 590 61.363 -1.965 13.076 1.00 0.00 H new ATOM 0 HB2 GLN A 590 63.830 -1.847 12.332 1.00 0.00 H new ATOM 0 HB3 GLN A 590 63.715 -0.108 12.524 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.530 -0.905 14.639 1.00 0.00 H new ATOM 0 HG3 GLN A 590 62.836 -0.553 14.917 1.00 0.00 H new ATOM 0 HE21 GLN A 590 62.402 -2.177 16.443 1.00 0.00 H new ATOM 0 HE22 GLN A 590 62.569 -3.901 16.098 1.00 0.00 H new ATOM 796 N ASN A 591 60.596 0.231 14.156 1.00 0.00 N ATOM 797 CA ASN A 591 59.936 1.484 14.626 1.00 0.00 C ATOM 798 C ASN A 591 58.870 1.940 13.615 1.00 0.00 C ATOM 799 O ASN A 591 58.482 3.092 13.596 1.00 0.00 O ATOM 800 CB ASN A 591 60.992 2.580 14.792 1.00 0.00 C ATOM 801 CG ASN A 591 61.790 2.335 16.074 1.00 0.00 C ATOM 802 OD1 ASN A 591 61.244 2.359 17.159 1.00 0.00 O ATOM 803 ND2 ASN A 591 63.069 2.099 15.994 1.00 0.00 N ATOM 0 H ASN A 591 60.580 -0.543 14.820 1.00 0.00 H new ATOM 0 HA ASN A 591 59.450 1.293 15.583 1.00 0.00 H new ATOM 0 HB2 ASN A 591 61.661 2.588 13.931 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.512 3.558 14.832 1.00 0.00 H new ATOM 0 HD21 ASN A 591 63.611 1.934 16.842 1.00 0.00 H new ATOM 0 HD22 ASN A 591 63.528 2.079 15.083 1.00 0.00 H new ATOM 810 N ASP A 592 58.389 1.039 12.788 1.00 0.00 N ATOM 811 CA ASP A 592 57.332 1.395 11.782 1.00 0.00 C ATOM 812 C ASP A 592 57.942 2.096 10.560 1.00 0.00 C ATOM 813 O ASP A 592 57.290 2.889 9.909 1.00 0.00 O ATOM 814 CB ASP A 592 56.288 2.319 12.421 1.00 0.00 C ATOM 815 CG ASP A 592 54.910 2.031 11.818 1.00 0.00 C ATOM 816 OD1 ASP A 592 54.224 1.169 12.343 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.565 2.677 10.842 1.00 0.00 O ATOM 0 H ASP A 592 58.686 0.063 12.766 1.00 0.00 H new ATOM 0 HA ASP A 592 56.859 0.469 11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.263 2.166 13.500 1.00 0.00 H new ATOM 0 HB3 ASP A 592 56.559 3.361 12.253 1.00 0.00 H new ATOM 822 N LYS A 593 59.172 1.806 10.227 1.00 0.00 N ATOM 823 CA LYS A 593 59.788 2.456 9.030 1.00 0.00 C ATOM 824 C LYS A 593 60.684 1.440 8.311 1.00 0.00 C ATOM 825 O LYS A 593 61.127 0.477 8.902 1.00 0.00 O ATOM 826 CB LYS A 593 60.608 3.692 9.438 1.00 0.00 C ATOM 827 CG LYS A 593 60.665 3.842 10.962 1.00 0.00 C ATOM 828 CD LYS A 593 61.137 5.257 11.312 1.00 0.00 C ATOM 829 CE LYS A 593 61.211 5.417 12.832 1.00 0.00 C ATOM 830 NZ LYS A 593 59.833 5.403 13.401 1.00 0.00 N ATOM 0 H LYS A 593 59.774 1.152 10.727 1.00 0.00 H new ATOM 0 HA LYS A 593 58.995 2.786 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.619 3.608 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.166 4.586 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 593 59.682 3.656 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.345 3.104 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.115 5.444 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 593 60.451 5.993 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 593 61.803 4.611 13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 593 61.711 6.351 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 59.866 5.696 14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 59.230 6.061 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 59.440 4.442 13.335 1.00 0.00 H new ATOM 844 N PRO A 594 60.931 1.645 7.037 1.00 0.00 N ATOM 845 CA PRO A 594 61.772 0.708 6.232 1.00 0.00 C ATOM 846 C PRO A 594 63.253 0.765 6.586 1.00 0.00 C ATOM 847 O PRO A 594 63.760 1.762 7.061 1.00 0.00 O ATOM 848 CB PRO A 594 61.558 1.229 4.818 1.00 0.00 C ATOM 849 CG PRO A 594 61.081 2.674 4.935 1.00 0.00 C ATOM 850 CD PRO A 594 60.399 2.824 6.299 1.00 0.00 C ATOM 0 HA PRO A 594 61.494 -0.333 6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.483 1.175 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.821 0.622 4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.921 3.363 4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.386 2.915 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.661 3.763 6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.312 2.799 6.218 1.00 0.00 H new ATOM 858 N TYR A 595 63.937 -0.308 6.330 1.00 0.00 N ATOM 859 CA TYR A 595 65.394 -0.385 6.614 1.00 0.00 C ATOM 860 C TYR A 595 65.974 -1.520 5.776 1.00 0.00 C ATOM 861 O TYR A 595 65.497 -2.635 5.835 1.00 0.00 O ATOM 862 CB TYR A 595 65.617 -0.699 8.099 1.00 0.00 C ATOM 863 CG TYR A 595 65.262 0.503 8.940 1.00 0.00 C ATOM 864 CD1 TYR A 595 66.157 1.573 9.045 1.00 0.00 C ATOM 865 CD2 TYR A 595 64.036 0.549 9.611 1.00 0.00 C ATOM 866 CE1 TYR A 595 65.824 2.690 9.821 1.00 0.00 C ATOM 867 CE2 TYR A 595 63.705 1.665 10.386 1.00 0.00 C ATOM 868 CZ TYR A 595 64.598 2.736 10.491 1.00 0.00 C ATOM 869 OH TYR A 595 64.270 3.837 11.254 1.00 0.00 O ATOM 0 H TYR A 595 63.539 -1.156 5.926 1.00 0.00 H new ATOM 0 HA TYR A 595 65.875 0.563 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.007 -1.553 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 595 66.657 -0.977 8.268 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.104 1.538 8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 595 63.345 -0.277 9.531 1.00 0.00 H new ATOM 0 HE1 TYR A 595 66.515 3.516 9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 595 62.758 1.700 10.904 1.00 0.00 H new ATOM 0 HH TYR A 595 64.699 4.634 10.879 1.00 0.00 H new ATOM 879 N CYS A 596 66.992 -1.264 4.996 1.00 0.00 N ATOM 880 CA CYS A 596 67.571 -2.364 4.173 1.00 0.00 C ATOM 881 C CYS A 596 67.880 -3.537 5.092 1.00 0.00 C ATOM 882 O CYS A 596 68.252 -3.359 6.234 1.00 0.00 O ATOM 883 CB CYS A 596 68.865 -1.908 3.490 1.00 0.00 C ATOM 884 SG CYS A 596 68.788 -0.136 3.134 1.00 0.00 S ATOM 0 H CYS A 596 67.441 -0.354 4.894 1.00 0.00 H new ATOM 0 HA CYS A 596 66.856 -2.651 3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.719 -2.121 4.133 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.014 -2.466 2.566 1.00 0.00 H new ATOM 889 N GLN A 597 67.731 -4.733 4.606 1.00 0.00 N ATOM 890 CA GLN A 597 68.025 -5.916 5.453 1.00 0.00 C ATOM 891 C GLN A 597 69.420 -5.738 6.050 1.00 0.00 C ATOM 892 O GLN A 597 69.668 -6.076 7.189 1.00 0.00 O ATOM 893 CB GLN A 597 67.950 -7.169 4.573 1.00 0.00 C ATOM 894 CG GLN A 597 69.013 -8.197 4.982 1.00 0.00 C ATOM 895 CD GLN A 597 68.795 -8.643 6.435 1.00 0.00 C ATOM 896 OE1 GLN A 597 67.671 -8.365 7.039 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 69.662 -9.255 7.027 1.00 0.00 N flip ATOM 0 H GLN A 597 67.418 -4.943 3.658 1.00 0.00 H new ATOM 0 HA GLN A 597 67.307 -6.020 6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 597 66.959 -7.615 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.091 -6.892 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 597 68.967 -9.061 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.007 -7.764 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 597 70.541 -9.474 6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 597 69.510 -9.549 7.992 1.00 0.00 H new ATOM 906 N ASN A 598 70.320 -5.170 5.292 1.00 0.00 N ATOM 907 CA ASN A 598 71.692 -4.924 5.810 1.00 0.00 C ATOM 908 C ASN A 598 71.602 -3.871 6.914 1.00 0.00 C ATOM 909 O ASN A 598 72.268 -3.961 7.925 1.00 0.00 O ATOM 910 CB ASN A 598 72.586 -4.416 4.675 1.00 0.00 C ATOM 911 CG ASN A 598 73.998 -4.162 5.207 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.392 -3.029 5.404 1.00 0.00 O ATOM 913 ND2 ASN A 598 74.783 -5.175 5.451 1.00 0.00 N ATOM 0 H ASN A 598 70.160 -4.865 4.332 1.00 0.00 H new ATOM 0 HA ASN A 598 72.120 -5.845 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 598 72.617 -5.148 3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.173 -3.498 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 598 75.726 -5.016 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 598 74.454 -6.126 5.286 1.00 0.00 H new ATOM 920 N CYS A 599 70.755 -2.886 6.734 1.00 0.00 N ATOM 921 CA CYS A 599 70.588 -1.839 7.779 1.00 0.00 C ATOM 922 C CYS A 599 69.946 -2.494 8.999 1.00 0.00 C ATOM 923 O CYS A 599 70.524 -2.532 10.058 1.00 0.00 O ATOM 924 CB CYS A 599 69.679 -0.718 7.260 1.00 0.00 C ATOM 925 SG CYS A 599 70.652 0.462 6.291 1.00 0.00 S ATOM 0 H CYS A 599 70.173 -2.766 5.905 1.00 0.00 H new ATOM 0 HA CYS A 599 71.555 -1.408 8.038 1.00 0.00 H new ATOM 0 HB2 CYS A 599 68.883 -1.138 6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.201 -0.209 8.097 1.00 0.00 H new ATOM 930 N PHE A 600 68.766 -3.043 8.841 1.00 0.00 N ATOM 931 CA PHE A 600 68.090 -3.736 9.982 1.00 0.00 C ATOM 932 C PHE A 600 69.096 -4.692 10.619 1.00 0.00 C ATOM 933 O PHE A 600 69.253 -4.745 11.822 1.00 0.00 O ATOM 934 CB PHE A 600 66.894 -4.520 9.432 1.00 0.00 C ATOM 935 CG PHE A 600 66.341 -5.464 10.478 1.00 0.00 C ATOM 936 CD1 PHE A 600 65.233 -5.086 11.247 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.926 -6.723 10.665 1.00 0.00 C ATOM 938 CE1 PHE A 600 64.713 -5.967 12.203 1.00 0.00 C ATOM 939 CE2 PHE A 600 66.407 -7.601 11.622 1.00 0.00 C ATOM 940 CZ PHE A 600 65.300 -7.224 12.391 1.00 0.00 C ATOM 0 H PHE A 600 68.240 -3.041 7.967 1.00 0.00 H new ATOM 0 HA PHE A 600 67.741 -3.022 10.728 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.115 -3.827 9.113 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.198 -5.085 8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 600 64.780 -4.116 11.103 1.00 0.00 H new ATOM 0 HD2 PHE A 600 67.778 -7.016 10.070 1.00 0.00 H new ATOM 0 HE1 PHE A 600 63.858 -5.677 12.796 1.00 0.00 H new ATOM 0 HE2 PHE A 600 66.861 -8.570 11.768 1.00 0.00 H new ATOM 0 HZ PHE A 600 64.899 -7.903 13.129 1.00 0.00 H new ATOM 950 N LEU A 601 69.798 -5.422 9.800 1.00 0.00 N ATOM 951 CA LEU A 601 70.832 -6.360 10.308 1.00 0.00 C ATOM 952 C LEU A 601 71.878 -5.544 11.079 1.00 0.00 C ATOM 953 O LEU A 601 72.550 -6.036 11.962 1.00 0.00 O ATOM 954 CB LEU A 601 71.472 -7.048 9.100 1.00 0.00 C ATOM 955 CG LEU A 601 72.645 -7.926 9.534 1.00 0.00 C ATOM 956 CD1 LEU A 601 72.115 -9.210 10.175 1.00 0.00 C ATOM 957 CD2 LEU A 601 73.480 -8.273 8.302 1.00 0.00 C ATOM 0 H LEU A 601 69.696 -5.407 8.785 1.00 0.00 H new ATOM 0 HA LEU A 601 70.406 -7.113 10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 601 70.728 -7.656 8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 601 71.817 -6.297 8.389 1.00 0.00 H new ATOM 0 HG LEU A 601 73.259 -7.394 10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 601 72.953 -9.835 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 601 71.509 -8.959 11.046 1.00 0.00 H new ATOM 0 HD13 LEU A 601 71.505 -9.752 9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 601 74.321 -8.900 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 601 72.862 -8.811 7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 601 73.853 -7.356 7.845 1.00 0.00 H new ATOM 969 N LYS A 602 71.997 -4.289 10.740 1.00 0.00 N ATOM 970 CA LYS A 602 72.968 -3.385 11.420 1.00 0.00 C ATOM 971 C LYS A 602 72.300 -2.715 12.627 1.00 0.00 C ATOM 972 O LYS A 602 72.916 -2.511 13.654 1.00 0.00 O ATOM 973 CB LYS A 602 73.400 -2.299 10.430 1.00 0.00 C ATOM 974 CG LYS A 602 74.905 -2.058 10.539 1.00 0.00 C ATOM 975 CD LYS A 602 75.667 -3.201 9.857 1.00 0.00 C ATOM 976 CE LYS A 602 75.578 -3.046 8.336 1.00 0.00 C ATOM 977 NZ LYS A 602 76.716 -3.765 7.696 1.00 0.00 N ATOM 0 H LYS A 602 71.450 -3.843 10.004 1.00 0.00 H new ATOM 0 HA LYS A 602 73.829 -3.962 11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.145 -2.600 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 602 72.860 -1.374 10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.165 -1.107 10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.196 -1.990 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 602 76.710 -3.194 10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.249 -4.161 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 602 74.631 -3.446 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 602 75.602 -1.990 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 76.745 -3.536 6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 77.608 -3.471 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 76.590 -4.790 7.816 1.00 0.00 H new ATOM 991 N LEU A 603 71.048 -2.354 12.501 1.00 0.00 N ATOM 992 CA LEU A 603 70.339 -1.681 13.627 1.00 0.00 C ATOM 993 C LEU A 603 69.799 -2.732 14.598 1.00 0.00 C ATOM 994 O LEU A 603 70.077 -2.702 15.781 1.00 0.00 O ATOM 995 CB LEU A 603 69.161 -0.854 13.089 1.00 0.00 C ATOM 996 CG LEU A 603 69.509 -0.215 11.739 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.378 0.725 11.317 1.00 0.00 C ATOM 998 CD2 LEU A 603 70.814 0.582 11.848 1.00 0.00 C ATOM 0 H LEU A 603 70.486 -2.498 11.662 1.00 0.00 H new ATOM 0 HA LEU A 603 71.042 -1.026 14.141 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.285 -1.492 12.978 1.00 0.00 H new ATOM 0 HB3 LEU A 603 68.900 -0.076 13.807 1.00 0.00 H new ATOM 0 HG LEU A 603 69.635 -1.003 10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.623 1.181 10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.451 0.160 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.254 1.505 12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.049 1.030 10.882 1.00 0.00 H new ATOM 0 HD22 LEU A 603 70.699 1.368 12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.624 -0.085 12.145 1.00 0.00 H new ATOM 1010 N PHE A 604 69.016 -3.649 14.103 1.00 0.00 N ATOM 1011 CA PHE A 604 68.431 -4.702 14.981 1.00 0.00 C ATOM 1012 C PHE A 604 69.505 -5.719 15.372 1.00 0.00 C ATOM 1013 O PHE A 604 69.351 -6.453 16.330 1.00 0.00 O ATOM 1014 CB PHE A 604 67.305 -5.415 14.231 1.00 0.00 C ATOM 1015 CG PHE A 604 66.341 -6.025 15.223 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.352 -7.406 15.452 1.00 0.00 C ATOM 1017 CD2 PHE A 604 65.438 -5.208 15.914 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.459 -7.970 16.370 1.00 0.00 C ATOM 1019 CE2 PHE A 604 64.545 -5.772 16.832 1.00 0.00 C ATOM 1020 CZ PHE A 604 64.555 -7.154 17.060 1.00 0.00 C ATOM 0 H PHE A 604 68.754 -3.715 13.120 1.00 0.00 H new ATOM 0 HA PHE A 604 68.038 -4.236 15.885 1.00 0.00 H new ATOM 0 HB2 PHE A 604 66.781 -4.710 13.586 1.00 0.00 H new ATOM 0 HB3 PHE A 604 67.718 -6.191 13.586 1.00 0.00 H new ATOM 0 HD1 PHE A 604 67.050 -8.036 14.920 1.00 0.00 H new ATOM 0 HD2 PHE A 604 65.431 -4.142 15.738 1.00 0.00 H new ATOM 0 HE1 PHE A 604 65.467 -9.035 16.546 1.00 0.00 H new ATOM 0 HE2 PHE A 604 63.848 -5.142 17.365 1.00 0.00 H new ATOM 0 HZ PHE A 604 63.865 -7.590 17.768 1.00 0.00 H new ATOM 1030 N CYS A 605 70.586 -5.775 14.641 1.00 0.00 N ATOM 1031 CA CYS A 605 71.663 -6.755 14.977 1.00 0.00 C ATOM 1032 C CYS A 605 73.037 -6.137 14.685 1.00 0.00 C ATOM 1033 O CYS A 605 73.137 -4.923 14.719 1.00 0.00 O ATOM 1034 CB CYS A 605 71.470 -8.026 14.140 1.00 0.00 C ATOM 1035 SG CYS A 605 72.198 -9.437 15.008 1.00 0.00 S ATOM 1036 OXT CYS A 605 73.969 -6.888 14.441 1.00 0.00 O ATOM 0 H CYS A 605 70.771 -5.187 13.828 1.00 0.00 H new ATOM 0 HA CYS A 605 71.609 -7.008 16.036 1.00 0.00 H new ATOM 0 HB2 CYS A 605 70.408 -8.201 13.965 1.00 0.00 H new ATOM 0 HB3 CYS A 605 71.938 -7.905 13.163 1.00 0.00 H new ATOM 0 HG CYS A 605 72.033 -10.515 14.300 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 57.144 8.291 -5.755 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.287 1.447 4.723 1.00 0.00 ZN