USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=18 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= -0.0433 X(o=-0.089,f=-0.032) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -169:sc= -0.0457 (180deg=0) USER MOD Set 2.1: A 583 ASN : amide:sc= 0.406 K(o=1.6,f=0.7) USER MOD Set 2.2: A 586 THR OG1 : rot -63:sc= 1.19 USER MOD Set 3.1: A 564 MET CE :methyl 156:sc= 0 (180deg=-1) USER MOD Set 3.2: A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-3.9!) USER MOD Single : A 547 SER OG : rot 170:sc= -0.198 USER MOD Single : A 550 SER OG : rot -60:sc= -0.17 USER MOD Single : A 553 GLN : amide:sc= -2.75! C(o=-2.8!,f=-10!) USER MOD Single : A 554 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.128) USER MOD Single : A 557 THR OG1 : rot 51:sc= 0.511 USER MOD Single : A 560 CYS SG : rot 27:sc= 0.845 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -107:sc= 0.0817 (180deg=-1.86!) USER MOD Single : A 580 LYS NZ :NH3+ 157:sc= -0.0131 (180deg=-0.147) USER MOD Single : A 581 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -156:sc= 0.136 (180deg=-0.482) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN :FLIP amide:sc= -0.4 F(o=-2.4,f=-0.4) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 GLN :FLIP amide:sc= -2.16! C(o=-4.3!,f=-2.2!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0678 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 34.725 4.292 -14.869 1.00 0.00 N ATOM 2 CA TYR A 541 35.428 3.373 -15.809 1.00 0.00 C ATOM 3 C TYR A 541 36.138 2.275 -15.014 1.00 0.00 C ATOM 4 O TYR A 541 36.151 1.124 -15.405 1.00 0.00 O ATOM 5 CB TYR A 541 36.457 4.162 -16.623 1.00 0.00 C ATOM 6 CG TYR A 541 35.750 5.213 -17.448 1.00 0.00 C ATOM 7 CD1 TYR A 541 35.605 6.514 -16.950 1.00 0.00 C ATOM 8 CD2 TYR A 541 35.240 4.886 -18.710 1.00 0.00 C ATOM 9 CE1 TYR A 541 34.949 7.486 -17.713 1.00 0.00 C ATOM 10 CE2 TYR A 541 34.584 5.859 -19.474 1.00 0.00 C ATOM 11 CZ TYR A 541 34.439 7.159 -18.975 1.00 0.00 C ATOM 12 OH TYR A 541 33.792 8.118 -19.728 1.00 0.00 O ATOM 0 HA TYR A 541 34.702 2.920 -16.485 1.00 0.00 H new ATOM 0 HB2 TYR A 541 37.180 4.633 -15.957 1.00 0.00 H new ATOM 0 HB3 TYR A 541 37.015 3.489 -17.274 1.00 0.00 H new ATOM 0 HD1 TYR A 541 36.000 6.767 -15.977 1.00 0.00 H new ATOM 0 HD2 TYR A 541 35.353 3.883 -19.094 1.00 0.00 H new ATOM 0 HE1 TYR A 541 34.836 8.489 -17.328 1.00 0.00 H new ATOM 0 HE2 TYR A 541 34.190 5.607 -20.447 1.00 0.00 H new ATOM 0 HH TYR A 541 33.501 7.726 -20.578 1.00 0.00 H new ATOM 22 N HIS A 542 36.728 2.622 -13.900 1.00 0.00 N ATOM 23 CA HIS A 542 37.436 1.601 -13.073 1.00 0.00 C ATOM 24 C HIS A 542 37.534 2.089 -11.626 1.00 0.00 C ATOM 25 O HIS A 542 36.912 3.062 -11.245 1.00 0.00 O ATOM 26 CB HIS A 542 38.845 1.373 -13.632 1.00 0.00 C ATOM 27 CG HIS A 542 39.346 0.022 -13.201 1.00 0.00 C ATOM 28 ND1 HIS A 542 40.414 -0.127 -12.329 1.00 0.00 N ATOM 29 CD2 HIS A 542 38.932 -1.250 -13.508 1.00 0.00 C ATOM 30 CE1 HIS A 542 40.603 -1.446 -12.143 1.00 0.00 C ATOM 31 NE2 HIS A 542 39.727 -2.176 -12.839 1.00 0.00 N ATOM 0 H HIS A 542 36.750 3.571 -13.527 1.00 0.00 H new ATOM 0 HA HIS A 542 36.878 0.665 -13.102 1.00 0.00 H new ATOM 0 HB2 HIS A 542 38.830 1.436 -14.720 1.00 0.00 H new ATOM 0 HB3 HIS A 542 39.519 2.152 -13.276 1.00 0.00 H new ATOM 0 HD2 HIS A 542 38.113 -1.495 -14.169 1.00 0.00 H new ATOM 0 HE1 HIS A 542 41.370 -1.864 -11.508 1.00 0.00 H new ATOM 0 HE2 HIS A 542 39.656 -3.193 -12.873 1.00 0.00 H new ATOM 39 N GLU A 543 38.313 1.415 -10.821 1.00 0.00 N ATOM 40 CA GLU A 543 38.465 1.822 -9.393 1.00 0.00 C ATOM 41 C GLU A 543 39.953 1.922 -9.050 1.00 0.00 C ATOM 42 O GLU A 543 40.425 2.942 -8.585 1.00 0.00 O ATOM 43 CB GLU A 543 37.805 0.775 -8.488 1.00 0.00 C ATOM 44 CG GLU A 543 36.332 0.606 -8.877 1.00 0.00 C ATOM 45 CD GLU A 543 36.168 -0.651 -9.736 1.00 0.00 C ATOM 46 OE1 GLU A 543 36.199 -0.525 -10.949 1.00 0.00 O ATOM 47 OE2 GLU A 543 36.015 -1.719 -9.166 1.00 0.00 O ATOM 0 H GLU A 543 38.854 0.594 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 543 37.987 2.789 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 543 38.326 -0.178 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 543 37.882 1.082 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 543 35.715 0.530 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 543 35.988 1.482 -9.427 1.00 0.00 H new ATOM 54 N ARG A 544 40.691 0.868 -9.278 1.00 0.00 N ATOM 55 CA ARG A 544 42.152 0.885 -8.970 1.00 0.00 C ATOM 56 C ARG A 544 42.933 0.403 -10.195 1.00 0.00 C ATOM 57 O ARG A 544 43.206 -0.772 -10.349 1.00 0.00 O ATOM 58 CB ARG A 544 42.432 -0.040 -7.779 1.00 0.00 C ATOM 59 CG ARG A 544 43.902 0.083 -7.360 1.00 0.00 C ATOM 60 CD ARG A 544 44.032 1.116 -6.239 1.00 0.00 C ATOM 61 NE ARG A 544 45.274 0.845 -5.457 1.00 0.00 N ATOM 62 CZ ARG A 544 45.747 1.743 -4.633 1.00 0.00 C ATOM 63 NH1 ARG A 544 46.838 1.498 -3.962 1.00 0.00 N ATOM 64 NH2 ARG A 544 45.130 2.882 -4.478 1.00 0.00 N ATOM 0 H ARG A 544 40.343 -0.009 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 544 42.464 1.899 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 544 41.783 0.222 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 544 42.206 -1.072 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 544 44.276 -0.883 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 544 44.510 0.380 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 544 44.065 2.122 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 544 43.161 1.072 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 544 45.757 -0.047 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 544 47.321 0.607 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 544 47.209 2.197 -3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 544 44.275 3.074 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 544 45.502 3.580 -3.834 1.00 0.00 H new ATOM 78 N ARG A 545 43.296 1.305 -11.069 1.00 0.00 N ATOM 79 CA ARG A 545 44.062 0.908 -12.287 1.00 0.00 C ATOM 80 C ARG A 545 45.514 0.608 -11.904 1.00 0.00 C ATOM 81 O ARG A 545 46.286 0.114 -12.703 1.00 0.00 O ATOM 82 CB ARG A 545 44.030 2.049 -13.306 1.00 0.00 C ATOM 83 CG ARG A 545 42.585 2.511 -13.513 1.00 0.00 C ATOM 84 CD ARG A 545 42.471 3.270 -14.837 1.00 0.00 C ATOM 85 NE ARG A 545 41.108 3.069 -15.407 1.00 0.00 N ATOM 86 CZ ARG A 545 40.673 3.839 -16.369 1.00 0.00 C ATOM 87 NH1 ARG A 545 39.480 3.653 -16.860 1.00 0.00 N ATOM 88 NH2 ARG A 545 41.428 4.792 -16.842 1.00 0.00 N ATOM 0 H ARG A 545 43.094 2.302 -10.991 1.00 0.00 H new ATOM 0 HA ARG A 545 43.610 0.018 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 545 44.642 2.880 -12.956 1.00 0.00 H new ATOM 0 HB3 ARG A 545 44.456 1.717 -14.253 1.00 0.00 H new ATOM 0 HG2 ARG A 545 41.915 1.651 -13.517 1.00 0.00 H new ATOM 0 HG3 ARG A 545 42.276 3.152 -12.687 1.00 0.00 H new ATOM 0 HD2 ARG A 545 42.657 4.332 -14.677 1.00 0.00 H new ATOM 0 HD3 ARG A 545 43.226 2.916 -15.538 1.00 0.00 H new ATOM 0 HE ARG A 545 40.511 2.326 -15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 545 38.888 2.908 -16.493 1.00 0.00 H new ATOM 0 HH12 ARG A 545 39.138 4.253 -17.611 1.00 0.00 H new ATOM 0 HH21 ARG A 545 42.363 4.939 -16.461 1.00 0.00 H new ATOM 0 HH22 ARG A 545 41.084 5.390 -17.593 1.00 0.00 H new ATOM 102 N GLY A 546 45.891 0.905 -10.688 1.00 0.00 N ATOM 103 CA GLY A 546 47.291 0.641 -10.253 1.00 0.00 C ATOM 104 C GLY A 546 47.452 1.016 -8.779 1.00 0.00 C ATOM 105 O GLY A 546 46.700 1.806 -8.240 1.00 0.00 O ATOM 0 H GLY A 546 45.288 1.320 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 546 47.535 -0.411 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 546 47.986 1.218 -10.863 1.00 0.00 H new ATOM 109 N SER A 547 48.429 0.448 -8.125 1.00 0.00 N ATOM 110 CA SER A 547 48.658 0.752 -6.682 1.00 0.00 C ATOM 111 C SER A 547 49.383 2.091 -6.546 1.00 0.00 C ATOM 112 O SER A 547 50.411 2.308 -7.153 1.00 0.00 O ATOM 113 CB SER A 547 49.518 -0.354 -6.077 1.00 0.00 C ATOM 114 OG SER A 547 48.755 -1.072 -5.117 1.00 0.00 O ATOM 0 H SER A 547 49.084 -0.219 -8.532 1.00 0.00 H new ATOM 0 HA SER A 547 47.702 0.809 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.866 -1.028 -6.859 1.00 0.00 H new ATOM 0 HB3 SER A 547 50.404 0.074 -5.608 1.00 0.00 H new ATOM 0 HG SER A 547 49.244 -1.876 -4.845 1.00 0.00 H new ATOM 120 N LEU A 548 48.861 2.991 -5.755 1.00 0.00 N ATOM 121 CA LEU A 548 49.531 4.313 -5.588 1.00 0.00 C ATOM 122 C LEU A 548 50.812 4.142 -4.775 1.00 0.00 C ATOM 123 O LEU A 548 50.844 3.437 -3.787 1.00 0.00 O ATOM 124 CB LEU A 548 48.600 5.285 -4.856 1.00 0.00 C ATOM 125 CG LEU A 548 47.676 5.983 -5.861 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.929 4.941 -6.696 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.665 6.850 -5.106 1.00 0.00 C ATOM 0 H LEU A 548 48.002 2.868 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 548 49.770 4.712 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 548 48.007 4.746 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.188 6.026 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 548 48.275 6.609 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 548 46.275 5.446 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.647 4.325 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.332 4.309 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.007 7.347 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.071 6.222 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 548 47.195 7.599 -4.519 1.00 0.00 H new ATOM 139 N CYS A 549 51.863 4.802 -5.175 1.00 0.00 N ATOM 140 CA CYS A 549 53.142 4.706 -4.424 1.00 0.00 C ATOM 141 C CYS A 549 53.056 5.649 -3.238 1.00 0.00 C ATOM 142 O CYS A 549 53.037 6.853 -3.401 1.00 0.00 O ATOM 143 CB CYS A 549 54.304 5.121 -5.334 1.00 0.00 C ATOM 144 SG CYS A 549 55.587 5.984 -4.377 1.00 0.00 S ATOM 0 H CYS A 549 51.889 5.407 -5.996 1.00 0.00 H new ATOM 0 HA CYS A 549 53.312 3.684 -4.085 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.731 4.240 -5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.937 5.770 -6.129 1.00 0.00 H new ATOM 149 N SER A 550 52.996 5.121 -2.048 1.00 0.00 N ATOM 150 CA SER A 550 52.910 6.011 -0.863 1.00 0.00 C ATOM 151 C SER A 550 54.031 7.039 -0.974 1.00 0.00 C ATOM 152 O SER A 550 55.201 6.713 -0.939 1.00 0.00 O ATOM 153 CB SER A 550 53.058 5.200 0.420 1.00 0.00 C ATOM 154 OG SER A 550 52.047 4.203 0.464 1.00 0.00 O ATOM 0 H SER A 550 53.003 4.121 -1.848 1.00 0.00 H new ATOM 0 HA SER A 550 51.941 6.509 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.044 4.737 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 550 52.978 5.854 1.288 1.00 0.00 H new ATOM 0 HG SER A 550 51.165 4.630 0.448 1.00 0.00 H new ATOM 160 N GLY A 551 53.669 8.269 -1.165 1.00 0.00 N ATOM 161 CA GLY A 551 54.681 9.344 -1.350 1.00 0.00 C ATOM 162 C GLY A 551 54.387 10.016 -2.689 1.00 0.00 C ATOM 163 O GLY A 551 54.575 11.204 -2.862 1.00 0.00 O ATOM 0 H GLY A 551 52.700 8.584 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 551 54.627 10.067 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 551 55.689 8.929 -1.341 1.00 0.00 H new ATOM 167 N CYS A 552 53.903 9.244 -3.633 1.00 0.00 N ATOM 168 CA CYS A 552 53.559 9.794 -4.973 1.00 0.00 C ATOM 169 C CYS A 552 52.041 9.885 -5.098 1.00 0.00 C ATOM 170 O CYS A 552 51.519 10.715 -5.815 1.00 0.00 O ATOM 171 CB CYS A 552 54.078 8.850 -6.057 1.00 0.00 C ATOM 172 SG CYS A 552 55.786 9.270 -6.458 1.00 0.00 S ATOM 0 H CYS A 552 53.731 8.244 -3.526 1.00 0.00 H new ATOM 0 HA CYS A 552 54.010 10.780 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 552 54.018 7.817 -5.713 1.00 0.00 H new ATOM 0 HB3 CYS A 552 53.455 8.926 -6.948 1.00 0.00 H new ATOM 177 N GLN A 553 51.333 9.020 -4.415 1.00 0.00 N ATOM 178 CA GLN A 553 49.844 9.026 -4.494 1.00 0.00 C ATOM 179 C GLN A 553 49.431 8.837 -5.956 1.00 0.00 C ATOM 180 O GLN A 553 48.396 9.302 -6.396 1.00 0.00 O ATOM 181 CB GLN A 553 49.302 10.350 -3.941 1.00 0.00 C ATOM 182 CG GLN A 553 49.279 10.296 -2.406 1.00 0.00 C ATOM 183 CD GLN A 553 50.608 9.749 -1.875 1.00 0.00 C ATOM 184 OE1 GLN A 553 50.819 8.553 -1.836 1.00 0.00 O ATOM 185 NE2 GLN A 553 51.514 10.581 -1.455 1.00 0.00 N ATOM 0 H GLN A 553 51.728 8.306 -3.803 1.00 0.00 H new ATOM 0 HA GLN A 553 49.430 8.214 -3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 553 49.926 11.178 -4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 553 48.298 10.532 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 553 49.101 11.293 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 553 48.457 9.664 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 553 51.338 11.585 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 553 52.401 10.230 -1.093 1.00 0.00 H new ATOM 194 N LYS A 554 50.245 8.134 -6.701 1.00 0.00 N ATOM 195 CA LYS A 554 49.946 7.865 -8.135 1.00 0.00 C ATOM 196 C LYS A 554 50.213 6.381 -8.392 1.00 0.00 C ATOM 197 O LYS A 554 51.147 5.822 -7.849 1.00 0.00 O ATOM 198 CB LYS A 554 50.861 8.714 -9.026 1.00 0.00 C ATOM 199 CG LYS A 554 50.490 10.195 -8.893 1.00 0.00 C ATOM 200 CD LYS A 554 49.093 10.433 -9.476 1.00 0.00 C ATOM 201 CE LYS A 554 48.912 11.921 -9.789 1.00 0.00 C ATOM 202 NZ LYS A 554 48.996 12.710 -8.527 1.00 0.00 N ATOM 0 H LYS A 554 51.120 7.729 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 554 48.910 8.116 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 554 51.902 8.564 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 554 50.766 8.398 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 554 50.512 10.492 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 554 51.222 10.811 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 554 48.961 9.842 -10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 554 48.332 10.105 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 554 49.679 12.252 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 554 47.948 12.087 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 48.707 13.692 -8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 48.366 12.292 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 49.974 12.698 -8.174 1.00 0.00 H new ATOM 216 N PRO A 555 49.398 5.738 -9.193 1.00 0.00 N ATOM 217 CA PRO A 555 49.571 4.290 -9.477 1.00 0.00 C ATOM 218 C PRO A 555 51.012 3.886 -9.775 1.00 0.00 C ATOM 219 O PRO A 555 51.821 4.675 -10.225 1.00 0.00 O ATOM 220 CB PRO A 555 48.684 4.085 -10.696 1.00 0.00 C ATOM 221 CG PRO A 555 47.737 5.287 -10.802 1.00 0.00 C ATOM 222 CD PRO A 555 48.255 6.399 -9.878 1.00 0.00 C ATOM 0 HA PRO A 555 49.309 3.675 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 555 49.290 3.997 -11.598 1.00 0.00 H new ATOM 0 HB3 PRO A 555 48.116 3.160 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 555 47.689 5.642 -11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 555 46.725 4.998 -10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 555 48.571 7.279 -10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.493 6.728 -9.171 1.00 0.00 H new ATOM 230 N ILE A 556 51.323 2.651 -9.513 1.00 0.00 N ATOM 231 CA ILE A 556 52.696 2.141 -9.751 1.00 0.00 C ATOM 232 C ILE A 556 52.680 1.230 -10.981 1.00 0.00 C ATOM 233 O ILE A 556 52.365 0.059 -10.898 1.00 0.00 O ATOM 234 CB ILE A 556 53.137 1.361 -8.510 1.00 0.00 C ATOM 235 CG1 ILE A 556 53.325 2.341 -7.341 1.00 0.00 C ATOM 236 CG2 ILE A 556 54.456 0.637 -8.793 1.00 0.00 C ATOM 237 CD1 ILE A 556 53.202 1.597 -6.007 1.00 0.00 C ATOM 0 H ILE A 556 50.671 1.962 -9.137 1.00 0.00 H new ATOM 0 HA ILE A 556 53.393 2.960 -9.931 1.00 0.00 H new ATOM 0 HB ILE A 556 52.376 0.624 -8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.302 2.820 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.577 3.132 -7.396 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.765 0.084 -7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 556 54.320 -0.055 -9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 556 55.224 1.367 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.337 2.300 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 556 52.215 1.139 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.966 0.822 -5.951 1.00 0.00 H new ATOM 249 N THR A 557 53.007 1.768 -12.126 1.00 0.00 N ATOM 250 CA THR A 557 53.003 0.949 -13.373 1.00 0.00 C ATOM 251 C THR A 557 54.281 0.108 -13.442 1.00 0.00 C ATOM 252 O THR A 557 55.351 0.603 -13.741 1.00 0.00 O ATOM 253 CB THR A 557 52.923 1.878 -14.588 1.00 0.00 C ATOM 254 OG1 THR A 557 53.929 2.876 -14.488 1.00 0.00 O ATOM 255 CG2 THR A 557 51.543 2.543 -14.633 1.00 0.00 C ATOM 0 H THR A 557 53.278 2.743 -12.251 1.00 0.00 H new ATOM 0 HA THR A 557 52.140 0.283 -13.370 1.00 0.00 H new ATOM 0 HB THR A 557 53.076 1.299 -15.499 1.00 0.00 H new ATOM 0 HG1 THR A 557 54.794 2.452 -14.307 1.00 0.00 H new ATOM 0 HG21 THR A 557 51.486 3.204 -15.498 1.00 0.00 H new ATOM 0 HG22 THR A 557 50.772 1.776 -14.711 1.00 0.00 H new ATOM 0 HG23 THR A 557 51.388 3.122 -13.723 1.00 0.00 H new ATOM 263 N GLY A 558 54.168 -1.163 -13.156 1.00 0.00 N ATOM 264 CA GLY A 558 55.356 -2.065 -13.185 1.00 0.00 C ATOM 265 C GLY A 558 55.468 -2.756 -11.828 1.00 0.00 C ATOM 266 O GLY A 558 54.477 -2.984 -11.161 1.00 0.00 O ATOM 0 H GLY A 558 53.292 -1.619 -12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 558 55.252 -2.804 -13.980 1.00 0.00 H new ATOM 0 HA3 GLY A 558 56.261 -1.495 -13.396 1.00 0.00 H new ATOM 270 N ARG A 559 56.659 -3.078 -11.402 1.00 0.00 N ATOM 271 CA ARG A 559 56.815 -3.734 -10.075 1.00 0.00 C ATOM 272 C ARG A 559 56.321 -2.770 -8.999 1.00 0.00 C ATOM 273 O ARG A 559 56.169 -1.589 -9.242 1.00 0.00 O ATOM 274 CB ARG A 559 58.292 -4.066 -9.836 1.00 0.00 C ATOM 275 CG ARG A 559 58.618 -5.434 -10.444 1.00 0.00 C ATOM 276 CD ARG A 559 58.540 -6.512 -9.357 1.00 0.00 C ATOM 277 NE ARG A 559 58.410 -7.869 -9.988 1.00 0.00 N ATOM 278 CZ ARG A 559 57.470 -8.136 -10.858 1.00 0.00 C ATOM 279 NH1 ARG A 559 57.457 -9.292 -11.459 1.00 0.00 N ATOM 280 NH2 ARG A 559 56.520 -7.274 -11.097 1.00 0.00 N ATOM 0 H ARG A 559 57.526 -2.916 -11.914 1.00 0.00 H new ATOM 0 HA ARG A 559 56.237 -4.658 -10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 559 58.924 -3.299 -10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 559 58.505 -4.072 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 559 57.918 -5.662 -11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 559 59.615 -5.419 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 559 59.433 -6.476 -8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 559 57.687 -6.322 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 559 59.072 -8.601 -9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 559 58.177 -9.983 -11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 559 56.727 -9.506 -12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 559 56.505 -6.381 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 559 55.792 -7.493 -11.777 1.00 0.00 H new ATOM 294 N CYS A 560 56.059 -3.256 -7.818 1.00 0.00 N ATOM 295 CA CYS A 560 55.566 -2.349 -6.744 1.00 0.00 C ATOM 296 C CYS A 560 55.893 -2.933 -5.374 1.00 0.00 C ATOM 297 O CYS A 560 55.733 -4.114 -5.131 1.00 0.00 O ATOM 298 CB CYS A 560 54.052 -2.177 -6.880 1.00 0.00 C ATOM 299 SG CYS A 560 53.224 -3.739 -6.491 1.00 0.00 S ATOM 0 H CYS A 560 56.164 -4.235 -7.551 1.00 0.00 H new ATOM 0 HA CYS A 560 56.056 -1.380 -6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.704 -1.392 -6.208 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.801 -1.864 -7.893 1.00 0.00 H new ATOM 0 HG CYS A 560 53.963 -4.430 -5.675 1.00 0.00 H new ATOM 305 N ILE A 561 56.351 -2.106 -4.477 1.00 0.00 N ATOM 306 CA ILE A 561 56.694 -2.590 -3.111 1.00 0.00 C ATOM 307 C ILE A 561 55.473 -2.446 -2.204 1.00 0.00 C ATOM 308 O ILE A 561 54.645 -1.578 -2.399 1.00 0.00 O ATOM 309 CB ILE A 561 57.845 -1.755 -2.541 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.848 -1.416 -3.656 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.548 -2.544 -1.433 1.00 0.00 C ATOM 312 CD1 ILE A 561 59.481 -2.699 -4.204 1.00 0.00 C ATOM 0 H ILE A 561 56.503 -1.109 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 561 56.996 -3.636 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 561 57.447 -0.828 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 561 58.343 -0.879 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.624 -0.755 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.367 -1.950 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.836 -2.770 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.942 -3.474 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 561 60.190 -2.447 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 561 60.003 -3.219 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.702 -3.345 -4.609 1.00 0.00 H new ATOM 324 N THR A 562 55.363 -3.285 -1.210 1.00 0.00 N ATOM 325 CA THR A 562 54.207 -3.200 -0.273 1.00 0.00 C ATOM 326 C THR A 562 54.735 -3.193 1.160 1.00 0.00 C ATOM 327 O THR A 562 55.170 -4.204 1.677 1.00 0.00 O ATOM 328 CB THR A 562 53.284 -4.405 -0.475 1.00 0.00 C ATOM 329 OG1 THR A 562 52.797 -4.406 -1.810 1.00 0.00 O ATOM 330 CG2 THR A 562 52.106 -4.320 0.500 1.00 0.00 C ATOM 0 H THR A 562 56.029 -4.030 -1.006 1.00 0.00 H new ATOM 0 HA THR A 562 53.643 -2.287 -0.466 1.00 0.00 H new ATOM 0 HB THR A 562 53.840 -5.324 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 562 52.207 -5.177 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.450 -5.179 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.480 -4.319 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.548 -3.402 0.317 1.00 0.00 H new ATOM 338 N ALA A 563 54.704 -2.059 1.800 1.00 0.00 N ATOM 339 CA ALA A 563 55.207 -1.975 3.200 1.00 0.00 C ATOM 340 C ALA A 563 54.055 -2.253 4.166 1.00 0.00 C ATOM 341 O ALA A 563 53.342 -3.228 4.023 1.00 0.00 O ATOM 342 CB ALA A 563 55.776 -0.575 3.444 1.00 0.00 C ATOM 0 H ALA A 563 54.351 -1.183 1.414 1.00 0.00 H new ATOM 0 HA ALA A 563 55.992 -2.713 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.146 -0.506 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.594 -0.389 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 563 54.993 0.168 3.291 1.00 0.00 H new ATOM 348 N MET A 564 53.861 -1.404 5.140 1.00 0.00 N ATOM 349 CA MET A 564 52.748 -1.609 6.108 1.00 0.00 C ATOM 350 C MET A 564 51.433 -1.309 5.393 1.00 0.00 C ATOM 351 O MET A 564 50.715 -0.391 5.742 1.00 0.00 O ATOM 352 CB MET A 564 52.918 -0.652 7.284 1.00 0.00 C ATOM 353 CG MET A 564 54.240 -0.942 8.000 1.00 0.00 C ATOM 354 SD MET A 564 54.580 0.374 9.195 1.00 0.00 S ATOM 355 CE MET A 564 55.489 1.471 8.078 1.00 0.00 C ATOM 0 H MET A 564 54.429 -0.574 5.306 1.00 0.00 H new ATOM 0 HA MET A 564 52.751 -2.634 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 564 52.903 0.379 6.931 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.085 -0.763 7.979 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.187 -1.905 8.508 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.051 -1.008 7.275 1.00 0.00 H new ATOM 0 HE1 MET A 564 55.431 2.495 8.447 1.00 0.00 H new ATOM 0 HE2 MET A 564 56.533 1.160 8.032 1.00 0.00 H new ATOM 0 HE3 MET A 564 55.051 1.419 7.081 1.00 0.00 H new ATOM 365 N ALA A 565 51.143 -2.061 4.368 1.00 0.00 N ATOM 366 CA ALA A 565 49.902 -1.833 3.569 1.00 0.00 C ATOM 367 C ALA A 565 50.136 -0.631 2.652 1.00 0.00 C ATOM 368 O ALA A 565 49.369 -0.363 1.748 1.00 0.00 O ATOM 369 CB ALA A 565 48.707 -1.563 4.494 1.00 0.00 C ATOM 0 H ALA A 565 51.721 -2.836 4.044 1.00 0.00 H new ATOM 0 HA ALA A 565 49.676 -2.721 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 565 47.812 -1.399 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.553 -2.421 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 565 48.907 -0.677 5.097 1.00 0.00 H new ATOM 375 N LYS A 566 51.209 0.085 2.880 1.00 0.00 N ATOM 376 CA LYS A 566 51.530 1.268 2.033 1.00 0.00 C ATOM 377 C LYS A 566 52.388 0.815 0.852 1.00 0.00 C ATOM 378 O LYS A 566 53.340 0.077 1.016 1.00 0.00 O ATOM 379 CB LYS A 566 52.310 2.289 2.864 1.00 0.00 C ATOM 380 CG LYS A 566 51.357 3.368 3.384 1.00 0.00 C ATOM 381 CD LYS A 566 52.151 4.417 4.167 1.00 0.00 C ATOM 382 CE LYS A 566 52.443 3.895 5.577 1.00 0.00 C ATOM 383 NZ LYS A 566 53.775 4.391 6.025 1.00 0.00 N ATOM 0 H LYS A 566 51.880 -0.104 3.624 1.00 0.00 H new ATOM 0 HA LYS A 566 50.609 1.723 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 566 52.802 1.792 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.093 2.744 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 566 50.835 3.839 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.597 2.919 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 566 53.085 4.641 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.587 5.348 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 566 51.668 4.228 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.428 2.805 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 53.973 4.037 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.509 4.052 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 53.773 5.431 6.034 1.00 0.00 H new ATOM 397 N LYS A 567 52.058 1.246 -0.335 1.00 0.00 N ATOM 398 CA LYS A 567 52.852 0.834 -1.523 1.00 0.00 C ATOM 399 C LYS A 567 53.918 1.885 -1.816 1.00 0.00 C ATOM 400 O LYS A 567 53.920 2.955 -1.245 1.00 0.00 O ATOM 401 CB LYS A 567 51.924 0.685 -2.729 1.00 0.00 C ATOM 402 CG LYS A 567 51.236 -0.680 -2.673 1.00 0.00 C ATOM 403 CD LYS A 567 50.520 -0.839 -1.326 1.00 0.00 C ATOM 404 CE LYS A 567 49.445 -1.920 -1.442 1.00 0.00 C ATOM 405 NZ LYS A 567 49.182 -2.506 -0.097 1.00 0.00 N ATOM 0 H LYS A 567 51.272 1.866 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 567 53.338 -0.121 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.179 1.481 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.493 0.781 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.520 -0.772 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.971 -1.475 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.238 -1.107 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 567 50.068 0.107 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.529 -1.494 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.770 -2.698 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.589 -3.462 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.617 -1.907 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.156 -2.558 0.064 1.00 0.00 H new ATOM 419 N PHE A 568 54.827 1.578 -2.698 1.00 0.00 N ATOM 420 CA PHE A 568 55.911 2.547 -3.036 1.00 0.00 C ATOM 421 C PHE A 568 56.476 2.200 -4.408 1.00 0.00 C ATOM 422 O PHE A 568 56.715 1.045 -4.706 1.00 0.00 O ATOM 423 CB PHE A 568 57.055 2.415 -2.022 1.00 0.00 C ATOM 424 CG PHE A 568 56.661 2.984 -0.678 1.00 0.00 C ATOM 425 CD1 PHE A 568 56.107 2.148 0.301 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.867 4.341 -0.401 1.00 0.00 C ATOM 427 CE1 PHE A 568 55.758 2.668 1.552 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.516 4.862 0.850 1.00 0.00 C ATOM 429 CZ PHE A 568 55.962 4.025 1.826 1.00 0.00 C ATOM 0 H PHE A 568 54.868 0.693 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 568 55.502 3.557 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.326 1.365 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.938 2.934 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 568 55.949 1.101 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 568 57.297 4.986 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 568 55.331 2.023 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 568 56.673 5.909 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 568 55.692 4.427 2.791 1.00 0.00 H new ATOM 439 N HIS A 569 56.736 3.179 -5.235 1.00 0.00 N ATOM 440 CA HIS A 569 57.337 2.861 -6.558 1.00 0.00 C ATOM 441 C HIS A 569 58.644 2.120 -6.272 1.00 0.00 C ATOM 442 O HIS A 569 59.397 2.526 -5.409 1.00 0.00 O ATOM 443 CB HIS A 569 57.656 4.149 -7.329 1.00 0.00 C ATOM 444 CG HIS A 569 56.430 4.661 -8.035 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.834 5.860 -7.687 1.00 0.00 N ATOM 446 CD2 HIS A 569 55.691 4.163 -9.080 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.783 6.048 -8.507 1.00 0.00 C ATOM 448 NE2 HIS A 569 54.652 5.042 -9.374 1.00 0.00 N ATOM 0 H HIS A 569 56.561 4.167 -5.054 1.00 0.00 H new ATOM 0 HA HIS A 569 56.648 2.266 -7.158 1.00 0.00 H new ATOM 0 HB2 HIS A 569 58.030 4.908 -6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.447 3.959 -8.054 1.00 0.00 H new ATOM 0 HD2 HIS A 569 55.886 3.233 -9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 569 54.128 6.906 -8.468 1.00 0.00 H new ATOM 0 HE2 HIS A 569 53.941 4.939 -10.098 1.00 0.00 H new ATOM 456 N PRO A 570 58.916 1.045 -6.963 1.00 0.00 N ATOM 457 CA PRO A 570 60.170 0.275 -6.725 1.00 0.00 C ATOM 458 C PRO A 570 61.415 1.170 -6.720 1.00 0.00 C ATOM 459 O PRO A 570 62.497 0.746 -6.363 1.00 0.00 O ATOM 460 CB PRO A 570 60.176 -0.693 -7.905 1.00 0.00 C ATOM 461 CG PRO A 570 58.756 -0.738 -8.481 1.00 0.00 C ATOM 462 CD PRO A 570 58.011 0.516 -8.016 1.00 0.00 C ATOM 0 HA PRO A 570 60.197 -0.213 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 570 60.886 -0.365 -8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 570 60.489 -1.686 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.789 -0.779 -9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 570 58.237 -1.635 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.869 1.230 -8.827 1.00 0.00 H new ATOM 0 HD3 PRO A 570 57.022 0.280 -7.622 1.00 0.00 H new ATOM 470 N GLU A 571 61.255 2.409 -7.102 1.00 0.00 N ATOM 471 CA GLU A 571 62.400 3.360 -7.118 1.00 0.00 C ATOM 472 C GLU A 571 62.199 4.424 -6.028 1.00 0.00 C ATOM 473 O GLU A 571 63.118 5.139 -5.676 1.00 0.00 O ATOM 474 CB GLU A 571 62.466 4.032 -8.489 1.00 0.00 C ATOM 475 CG GLU A 571 61.260 4.957 -8.659 1.00 0.00 C ATOM 476 CD GLU A 571 60.798 4.950 -10.118 1.00 0.00 C ATOM 477 OE1 GLU A 571 61.440 5.601 -10.925 1.00 0.00 O ATOM 478 OE2 GLU A 571 59.809 4.294 -10.401 1.00 0.00 O ATOM 0 H GLU A 571 60.366 2.806 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 571 63.330 2.825 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.391 4.601 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.474 3.278 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.447 4.632 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 571 61.523 5.971 -8.357 1.00 0.00 H new ATOM 485 N HIS A 572 61.006 4.533 -5.488 1.00 0.00 N ATOM 486 CA HIS A 572 60.751 5.549 -4.419 1.00 0.00 C ATOM 487 C HIS A 572 60.769 4.862 -3.056 1.00 0.00 C ATOM 488 O HIS A 572 60.864 5.504 -2.029 1.00 0.00 O ATOM 489 CB HIS A 572 59.395 6.229 -4.656 1.00 0.00 C ATOM 490 CG HIS A 572 59.477 7.018 -5.936 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.357 7.408 -6.665 1.00 0.00 N ATOM 492 CD2 HIS A 572 60.559 7.493 -6.638 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.797 8.079 -7.747 1.00 0.00 C ATOM 494 NE2 HIS A 572 60.126 8.158 -7.776 1.00 0.00 N ATOM 0 H HIS A 572 60.200 3.962 -5.742 1.00 0.00 H new ATOM 0 HA HIS A 572 61.530 6.311 -4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.603 5.483 -4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.148 6.885 -3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 572 61.592 7.367 -6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 572 58.149 8.502 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 572 60.703 8.611 -8.484 1.00 0.00 H new ATOM 502 N PHE A 573 60.709 3.557 -3.042 1.00 0.00 N ATOM 503 CA PHE A 573 60.759 2.823 -1.751 1.00 0.00 C ATOM 504 C PHE A 573 62.207 2.824 -1.278 1.00 0.00 C ATOM 505 O PHE A 573 62.970 1.928 -1.580 1.00 0.00 O ATOM 506 CB PHE A 573 60.286 1.384 -1.957 1.00 0.00 C ATOM 507 CG PHE A 573 60.251 0.661 -0.628 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.452 1.145 0.415 1.00 0.00 C ATOM 509 CD2 PHE A 573 61.019 -0.496 -0.441 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.422 0.474 1.643 1.00 0.00 C ATOM 511 CE2 PHE A 573 60.988 -1.167 0.787 1.00 0.00 C ATOM 512 CZ PHE A 573 60.189 -0.682 1.829 1.00 0.00 C ATOM 0 H PHE A 573 60.627 2.970 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 573 60.112 3.298 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.295 1.379 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.954 0.867 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 573 58.859 2.036 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 573 61.635 -0.870 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 573 58.807 0.848 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.580 -2.059 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.164 -1.200 2.776 1.00 0.00 H new ATOM 522 N VAL A 574 62.598 3.841 -0.568 1.00 0.00 N ATOM 523 CA VAL A 574 64.010 3.925 -0.097 1.00 0.00 C ATOM 524 C VAL A 574 64.091 3.635 1.403 1.00 0.00 C ATOM 525 O VAL A 574 63.090 3.508 2.083 1.00 0.00 O ATOM 526 CB VAL A 574 64.559 5.327 -0.378 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.502 5.611 -1.883 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.719 6.369 0.370 1.00 0.00 C ATOM 0 H VAL A 574 62.002 4.621 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 574 64.604 3.183 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 574 65.593 5.382 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.893 6.609 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 574 65.103 4.874 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.469 5.552 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 574 64.112 7.366 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.684 6.312 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.763 6.171 1.441 1.00 0.00 H new ATOM 538 N CYS A 575 65.288 3.529 1.915 1.00 0.00 N ATOM 539 CA CYS A 575 65.477 3.245 3.366 1.00 0.00 C ATOM 540 C CYS A 575 65.247 4.517 4.178 1.00 0.00 C ATOM 541 O CYS A 575 65.788 5.561 3.872 1.00 0.00 O ATOM 542 CB CYS A 575 66.910 2.762 3.590 1.00 0.00 C ATOM 543 SG CYS A 575 67.283 2.747 5.363 1.00 0.00 S ATOM 0 H CYS A 575 66.152 3.628 1.383 1.00 0.00 H new ATOM 0 HA CYS A 575 64.766 2.482 3.684 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.036 1.762 3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.609 3.415 3.067 1.00 0.00 H new ATOM 548 N ALA A 576 64.458 4.436 5.219 1.00 0.00 N ATOM 549 CA ALA A 576 64.205 5.643 6.064 1.00 0.00 C ATOM 550 C ALA A 576 65.464 5.967 6.885 1.00 0.00 C ATOM 551 O ALA A 576 65.388 6.327 8.045 1.00 0.00 O ATOM 552 CB ALA A 576 63.030 5.368 7.005 1.00 0.00 C ATOM 0 H ALA A 576 63.978 3.588 5.520 1.00 0.00 H new ATOM 0 HA ALA A 576 63.964 6.493 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 576 62.844 6.247 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.140 5.142 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.268 4.519 7.646 1.00 0.00 H new ATOM 558 N PHE A 577 66.618 5.846 6.281 1.00 0.00 N ATOM 559 CA PHE A 577 67.895 6.146 6.993 1.00 0.00 C ATOM 560 C PHE A 577 68.872 6.760 5.994 1.00 0.00 C ATOM 561 O PHE A 577 69.290 7.893 6.131 1.00 0.00 O ATOM 562 CB PHE A 577 68.492 4.849 7.550 1.00 0.00 C ATOM 563 CG PHE A 577 69.405 5.163 8.715 1.00 0.00 C ATOM 564 CD1 PHE A 577 70.784 4.951 8.599 1.00 0.00 C ATOM 565 CD2 PHE A 577 68.872 5.663 9.910 1.00 0.00 C ATOM 566 CE1 PHE A 577 71.630 5.239 9.677 1.00 0.00 C ATOM 567 CE2 PHE A 577 69.718 5.951 10.987 1.00 0.00 C ATOM 568 CZ PHE A 577 71.097 5.739 10.871 1.00 0.00 C ATOM 0 H PHE A 577 66.730 5.548 5.312 1.00 0.00 H new ATOM 0 HA PHE A 577 67.709 6.837 7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.694 4.180 7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.049 4.330 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 577 71.195 4.565 7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 577 67.808 5.826 10.000 1.00 0.00 H new ATOM 0 HE1 PHE A 577 72.694 5.075 9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 577 69.307 6.337 11.908 1.00 0.00 H new ATOM 0 HZ PHE A 577 71.749 5.961 11.702 1.00 0.00 H new ATOM 578 N CYS A 578 69.223 6.014 4.982 1.00 0.00 N ATOM 579 CA CYS A 578 70.162 6.534 3.947 1.00 0.00 C ATOM 580 C CYS A 578 69.348 7.049 2.758 1.00 0.00 C ATOM 581 O CYS A 578 69.823 7.833 1.960 1.00 0.00 O ATOM 582 CB CYS A 578 71.093 5.409 3.490 1.00 0.00 C ATOM 583 SG CYS A 578 70.148 3.879 3.298 1.00 0.00 S ATOM 0 H CYS A 578 68.897 5.060 4.827 1.00 0.00 H new ATOM 0 HA CYS A 578 70.762 7.345 4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.567 5.677 2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.892 5.266 4.218 1.00 0.00 H new ATOM 588 N LEU A 579 68.117 6.614 2.649 1.00 0.00 N ATOM 589 CA LEU A 579 67.234 7.066 1.530 1.00 0.00 C ATOM 590 C LEU A 579 67.911 6.815 0.178 1.00 0.00 C ATOM 591 O LEU A 579 67.555 7.410 -0.822 1.00 0.00 O ATOM 592 CB LEU A 579 66.930 8.561 1.685 1.00 0.00 C ATOM 593 CG LEU A 579 66.234 8.811 3.028 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.238 9.381 4.033 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.088 9.808 2.834 1.00 0.00 C ATOM 0 H LEU A 579 67.681 5.957 3.296 1.00 0.00 H new ATOM 0 HA LEU A 579 66.304 6.499 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 579 67.854 9.137 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 579 66.294 8.899 0.867 1.00 0.00 H new ATOM 0 HG LEU A 579 65.838 7.869 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 579 66.739 9.557 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.053 8.671 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.638 10.321 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 579 64.594 9.985 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 579 65.485 10.748 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.368 9.401 2.123 1.00 0.00 H new ATOM 607 N LYS A 580 68.876 5.935 0.134 1.00 0.00 N ATOM 608 CA LYS A 580 69.565 5.644 -1.158 1.00 0.00 C ATOM 609 C LYS A 580 68.618 4.846 -2.061 1.00 0.00 C ATOM 610 O LYS A 580 68.357 5.215 -3.189 1.00 0.00 O ATOM 611 CB LYS A 580 70.841 4.834 -0.889 1.00 0.00 C ATOM 612 CG LYS A 580 70.488 3.503 -0.212 1.00 0.00 C ATOM 613 CD LYS A 580 71.726 2.927 0.482 1.00 0.00 C ATOM 614 CE LYS A 580 71.991 1.509 -0.032 1.00 0.00 C ATOM 615 NZ LYS A 580 72.410 1.568 -1.461 1.00 0.00 N ATOM 0 H LYS A 580 69.217 5.405 0.936 1.00 0.00 H new ATOM 0 HA LYS A 580 69.836 6.577 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.366 4.646 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.517 5.406 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.690 3.655 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 580 70.114 2.796 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.591 3.562 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.576 2.911 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.768 1.033 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 580 71.093 0.900 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.950 0.712 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.567 1.627 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 73.006 2.407 -1.614 1.00 0.00 H new ATOM 629 N GLN A 581 68.099 3.758 -1.557 1.00 0.00 N ATOM 630 CA GLN A 581 67.162 2.912 -2.346 1.00 0.00 C ATOM 631 C GLN A 581 66.743 1.739 -1.467 1.00 0.00 C ATOM 632 O GLN A 581 67.405 1.424 -0.496 1.00 0.00 O ATOM 633 CB GLN A 581 67.855 2.384 -3.608 1.00 0.00 C ATOM 634 CG GLN A 581 66.940 2.583 -4.822 1.00 0.00 C ATOM 635 CD GLN A 581 66.523 1.224 -5.382 1.00 0.00 C ATOM 636 OE1 GLN A 581 65.419 0.677 -4.961 1.00 0.00 O flip ATOM 637 NE2 GLN A 581 67.208 0.656 -6.208 1.00 0.00 N flip ATOM 0 H GLN A 581 68.290 3.416 -0.615 1.00 0.00 H new ATOM 0 HA GLN A 581 66.295 3.498 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.799 2.907 -3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 581 68.092 1.327 -3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 581 66.058 3.155 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.457 3.160 -5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 581 68.073 1.086 -6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 581 66.919 -0.251 -6.573 1.00 0.00 H new ATOM 646 N LEU A 582 65.655 1.092 -1.777 1.00 0.00 N ATOM 647 CA LEU A 582 65.224 -0.048 -0.924 1.00 0.00 C ATOM 648 C LEU A 582 64.260 -0.960 -1.685 1.00 0.00 C ATOM 649 O LEU A 582 63.635 -0.562 -2.650 1.00 0.00 O ATOM 650 CB LEU A 582 64.538 0.503 0.330 1.00 0.00 C ATOM 651 CG LEU A 582 64.742 -0.460 1.495 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.203 -0.423 1.947 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.834 -0.047 2.654 1.00 0.00 C ATOM 0 H LEU A 582 65.053 1.300 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 582 66.098 -0.636 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.947 1.482 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.473 0.641 0.142 1.00 0.00 H new ATOM 0 HG LEU A 582 64.493 -1.473 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.344 -1.112 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.848 -0.717 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.460 0.587 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.976 -0.732 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.084 0.966 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.794 -0.080 2.331 1.00 0.00 H new ATOM 665 N ASN A 583 64.142 -2.186 -1.246 1.00 0.00 N ATOM 666 CA ASN A 583 63.230 -3.153 -1.914 1.00 0.00 C ATOM 667 C ASN A 583 62.721 -4.157 -0.876 1.00 0.00 C ATOM 668 O ASN A 583 63.489 -4.730 -0.127 1.00 0.00 O ATOM 669 CB ASN A 583 63.993 -3.896 -3.015 1.00 0.00 C ATOM 670 CG ASN A 583 65.211 -4.603 -2.412 1.00 0.00 C ATOM 671 OD1 ASN A 583 65.193 -5.800 -2.205 1.00 0.00 O ATOM 672 ND2 ASN A 583 66.275 -3.907 -2.119 1.00 0.00 N ATOM 0 H ASN A 583 64.647 -2.560 -0.442 1.00 0.00 H new ATOM 0 HA ASN A 583 62.387 -2.622 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 583 63.339 -4.624 -3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.312 -3.195 -3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 583 67.091 -4.368 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 583 66.291 -2.902 -2.293 1.00 0.00 H new ATOM 679 N LYS A 584 61.432 -4.374 -0.829 1.00 0.00 N ATOM 680 CA LYS A 584 60.861 -5.342 0.156 1.00 0.00 C ATOM 681 C LYS A 584 61.593 -6.685 0.037 1.00 0.00 C ATOM 682 O LYS A 584 61.667 -7.452 0.978 1.00 0.00 O ATOM 683 CB LYS A 584 59.365 -5.531 -0.147 1.00 0.00 C ATOM 684 CG LYS A 584 58.844 -6.836 0.473 1.00 0.00 C ATOM 685 CD LYS A 584 58.874 -6.738 2.001 1.00 0.00 C ATOM 686 CE LYS A 584 57.882 -5.669 2.469 1.00 0.00 C ATOM 687 NZ LYS A 584 57.415 -5.991 3.847 1.00 0.00 N ATOM 0 H LYS A 584 60.747 -3.920 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 584 60.984 -4.961 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.800 -4.686 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 584 59.207 -5.547 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.827 -7.029 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 584 59.456 -7.675 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.620 -7.702 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.880 -6.488 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 584 58.356 -4.687 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.033 -5.623 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.489 -5.547 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.328 -7.022 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 58.101 -5.629 4.540 1.00 0.00 H new ATOM 701 N GLY A 585 62.125 -6.971 -1.121 1.00 0.00 N ATOM 702 CA GLY A 585 62.845 -8.260 -1.333 1.00 0.00 C ATOM 703 C GLY A 585 63.985 -8.427 -0.324 1.00 0.00 C ATOM 704 O GLY A 585 64.318 -9.533 0.053 1.00 0.00 O ATOM 0 H GLY A 585 62.091 -6.360 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 585 62.146 -9.091 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 585 63.244 -8.295 -2.347 1.00 0.00 H new ATOM 708 N THR A 586 64.600 -7.353 0.107 1.00 0.00 N ATOM 709 CA THR A 586 65.730 -7.492 1.077 1.00 0.00 C ATOM 710 C THR A 586 65.777 -6.300 2.039 1.00 0.00 C ATOM 711 O THR A 586 66.839 -5.900 2.478 1.00 0.00 O ATOM 712 CB THR A 586 67.054 -7.565 0.305 1.00 0.00 C ATOM 713 OG1 THR A 586 67.222 -6.376 -0.455 1.00 0.00 O ATOM 714 CG2 THR A 586 67.044 -8.774 -0.633 1.00 0.00 C ATOM 0 H THR A 586 64.372 -6.397 -0.167 1.00 0.00 H new ATOM 0 HA THR A 586 65.577 -8.402 1.656 1.00 0.00 H new ATOM 0 HB THR A 586 67.877 -7.668 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 586 66.502 -6.305 -1.116 1.00 0.00 H new ATOM 0 HG21 THR A 586 67.987 -8.820 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 586 66.917 -9.686 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 586 66.220 -8.679 -1.341 1.00 0.00 H new ATOM 722 N PHE A 587 64.651 -5.733 2.387 1.00 0.00 N ATOM 723 CA PHE A 587 64.677 -4.581 3.334 1.00 0.00 C ATOM 724 C PHE A 587 64.293 -5.054 4.735 1.00 0.00 C ATOM 725 O PHE A 587 63.958 -6.200 4.957 1.00 0.00 O ATOM 726 CB PHE A 587 63.693 -3.483 2.882 1.00 0.00 C ATOM 727 CG PHE A 587 62.392 -3.582 3.656 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.652 -4.772 3.640 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.934 -2.485 4.397 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.457 -4.862 4.363 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.737 -2.577 5.118 1.00 0.00 C ATOM 732 CZ PHE A 587 59.999 -3.765 5.101 1.00 0.00 C ATOM 0 H PHE A 587 63.726 -6.014 2.061 1.00 0.00 H new ATOM 0 HA PHE A 587 65.686 -4.169 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.140 -2.501 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.496 -3.580 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.004 -5.619 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.504 -1.568 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 587 59.888 -5.780 4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.384 -1.730 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.076 -3.836 5.657 1.00 0.00 H new ATOM 742 N LYS A 588 64.320 -4.147 5.664 1.00 0.00 N ATOM 743 CA LYS A 588 63.941 -4.454 7.067 1.00 0.00 C ATOM 744 C LYS A 588 63.205 -3.228 7.606 1.00 0.00 C ATOM 745 O LYS A 588 63.231 -2.178 6.996 1.00 0.00 O ATOM 746 CB LYS A 588 65.202 -4.710 7.901 1.00 0.00 C ATOM 747 CG LYS A 588 65.710 -6.139 7.673 1.00 0.00 C ATOM 748 CD LYS A 588 64.784 -7.139 8.377 1.00 0.00 C ATOM 749 CE LYS A 588 64.050 -7.986 7.337 1.00 0.00 C ATOM 750 NZ LYS A 588 63.330 -9.098 8.020 1.00 0.00 N ATOM 0 H LYS A 588 64.597 -3.178 5.505 1.00 0.00 H new ATOM 0 HA LYS A 588 63.312 -5.343 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.977 -3.994 7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.984 -4.559 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.749 -6.355 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.726 -6.239 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 588 65.364 -7.782 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.065 -6.607 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 588 63.344 -7.368 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 588 64.759 -8.388 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 62.831 -9.674 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 64.014 -9.692 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 62.642 -8.704 8.694 1.00 0.00 H new ATOM 764 N GLU A 589 62.546 -3.331 8.725 1.00 0.00 N ATOM 765 CA GLU A 589 61.824 -2.141 9.253 1.00 0.00 C ATOM 766 C GLU A 589 62.010 -2.034 10.765 1.00 0.00 C ATOM 767 O GLU A 589 62.172 -3.018 11.462 1.00 0.00 O ATOM 768 CB GLU A 589 60.330 -2.240 8.912 1.00 0.00 C ATOM 769 CG GLU A 589 59.584 -3.001 10.011 1.00 0.00 C ATOM 770 CD GLU A 589 58.233 -3.478 9.473 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.252 -2.786 9.691 1.00 0.00 O ATOM 772 OE2 GLU A 589 58.203 -4.526 8.847 1.00 0.00 O ATOM 0 H GLU A 589 62.476 -4.176 9.291 1.00 0.00 H new ATOM 0 HA GLU A 589 62.237 -1.246 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.908 -1.241 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.201 -2.748 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.176 -3.853 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.436 -2.357 10.878 1.00 0.00 H new ATOM 779 N GLN A 590 61.981 -0.833 11.264 1.00 0.00 N ATOM 780 CA GLN A 590 62.143 -0.603 12.721 1.00 0.00 C ATOM 781 C GLN A 590 61.430 0.698 13.077 1.00 0.00 C ATOM 782 O GLN A 590 61.356 1.605 12.276 1.00 0.00 O ATOM 783 CB GLN A 590 63.632 -0.476 13.054 1.00 0.00 C ATOM 784 CG GLN A 590 63.835 -0.552 14.570 1.00 0.00 C ATOM 785 CD GLN A 590 63.659 -1.997 15.044 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.125 -2.970 14.313 1.00 0.00 O flip ATOM 787 NE2 GLN A 590 63.092 -2.241 16.090 1.00 0.00 N flip ATOM 0 H GLN A 590 61.849 0.014 10.712 1.00 0.00 H new ATOM 0 HA GLN A 590 61.721 -1.434 13.286 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.193 -1.271 12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.019 0.469 12.673 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.830 -0.192 14.832 1.00 0.00 H new ATOM 0 HG3 GLN A 590 63.119 0.096 15.075 1.00 0.00 H new ATOM 0 HE21 GLN A 590 62.727 -1.479 16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 590 62.981 -3.208 16.396 1.00 0.00 H new ATOM 796 N ASN A 591 60.905 0.799 14.266 1.00 0.00 N ATOM 797 CA ASN A 591 60.200 2.052 14.670 1.00 0.00 C ATOM 798 C ASN A 591 59.091 2.397 13.663 1.00 0.00 C ATOM 799 O ASN A 591 58.627 3.519 13.611 1.00 0.00 O ATOM 800 CB ASN A 591 61.211 3.201 14.735 1.00 0.00 C ATOM 801 CG ASN A 591 62.090 3.043 15.977 1.00 0.00 C ATOM 802 OD1 ASN A 591 61.600 3.042 17.089 1.00 0.00 O ATOM 803 ND2 ASN A 591 63.379 2.909 15.834 1.00 0.00 N ATOM 0 H ASN A 591 60.933 0.069 14.977 1.00 0.00 H new ATOM 0 HA ASN A 591 59.745 1.902 15.649 1.00 0.00 H new ATOM 0 HB2 ASN A 591 61.830 3.205 13.838 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.688 4.157 14.766 1.00 0.00 H new ATOM 0 HD21 ASN A 591 63.975 2.803 16.655 1.00 0.00 H new ATOM 0 HD22 ASN A 591 63.791 2.910 14.901 1.00 0.00 H new ATOM 810 N ASP A 592 58.660 1.438 12.873 1.00 0.00 N ATOM 811 CA ASP A 592 57.567 1.690 11.875 1.00 0.00 C ATOM 812 C ASP A 592 58.120 2.368 10.613 1.00 0.00 C ATOM 813 O ASP A 592 57.426 3.119 9.954 1.00 0.00 O ATOM 814 CB ASP A 592 56.483 2.581 12.495 1.00 0.00 C ATOM 815 CG ASP A 592 55.122 2.241 11.880 1.00 0.00 C ATOM 816 OD1 ASP A 592 54.530 1.263 12.306 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.696 2.965 10.995 1.00 0.00 O ATOM 0 H ASP A 592 59.022 0.484 12.877 1.00 0.00 H new ATOM 0 HA ASP A 592 57.137 0.728 11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.452 2.435 13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 592 56.719 3.631 12.322 1.00 0.00 H new ATOM 822 N LYS A 593 59.349 2.102 10.257 1.00 0.00 N ATOM 823 CA LYS A 593 59.917 2.725 9.022 1.00 0.00 C ATOM 824 C LYS A 593 60.865 1.726 8.347 1.00 0.00 C ATOM 825 O LYS A 593 61.400 0.846 8.990 1.00 0.00 O ATOM 826 CB LYS A 593 60.669 4.025 9.357 1.00 0.00 C ATOM 827 CG LYS A 593 60.836 4.193 10.871 1.00 0.00 C ATOM 828 CD LYS A 593 61.254 5.635 11.175 1.00 0.00 C ATOM 829 CE LYS A 593 61.455 5.808 12.681 1.00 0.00 C ATOM 830 NZ LYS A 593 61.813 7.225 12.975 1.00 0.00 N ATOM 0 H LYS A 593 59.982 1.484 10.764 1.00 0.00 H new ATOM 0 HA LYS A 593 59.101 2.976 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.649 4.015 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.125 4.878 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 593 59.901 3.958 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.587 3.497 11.245 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.176 5.876 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 593 60.492 6.328 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.545 5.534 13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 593 62.243 5.142 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 61.950 7.343 13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 62.692 7.471 12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 61.047 7.850 12.654 1.00 0.00 H new ATOM 844 N PRO A 594 61.056 1.853 7.054 1.00 0.00 N ATOM 845 CA PRO A 594 61.940 0.923 6.290 1.00 0.00 C ATOM 846 C PRO A 594 63.420 1.097 6.610 1.00 0.00 C ATOM 847 O PRO A 594 63.865 2.147 7.029 1.00 0.00 O ATOM 848 CB PRO A 594 61.667 1.337 4.850 1.00 0.00 C ATOM 849 CG PRO A 594 61.083 2.746 4.887 1.00 0.00 C ATOM 850 CD PRO A 594 60.415 2.931 6.252 1.00 0.00 C ATOM 0 HA PRO A 594 61.733 -0.122 6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.586 1.317 4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.971 0.645 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.866 3.490 4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.359 2.882 4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.606 3.920 6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.333 2.811 6.197 1.00 0.00 H new ATOM 858 N TYR A 595 64.173 0.062 6.390 1.00 0.00 N ATOM 859 CA TYR A 595 65.637 0.097 6.649 1.00 0.00 C ATOM 860 C TYR A 595 66.275 -1.056 5.878 1.00 0.00 C ATOM 861 O TYR A 595 65.899 -2.196 6.056 1.00 0.00 O ATOM 862 CB TYR A 595 65.904 -0.103 8.146 1.00 0.00 C ATOM 863 CG TYR A 595 65.493 1.128 8.918 1.00 0.00 C ATOM 864 CD1 TYR A 595 64.397 1.075 9.787 1.00 0.00 C ATOM 865 CD2 TYR A 595 66.206 2.321 8.765 1.00 0.00 C ATOM 866 CE1 TYR A 595 64.016 2.215 10.501 1.00 0.00 C ATOM 867 CE2 TYR A 595 65.824 3.462 9.480 1.00 0.00 C ATOM 868 CZ TYR A 595 64.729 3.409 10.348 1.00 0.00 C ATOM 869 OH TYR A 595 64.351 4.534 11.052 1.00 0.00 O ATOM 0 H TYR A 595 63.828 -0.829 6.033 1.00 0.00 H new ATOM 0 HA TYR A 595 66.051 1.056 6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.352 -0.970 8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 595 66.962 -0.308 8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 595 63.846 0.154 9.906 1.00 0.00 H new ATOM 0 HD2 TYR A 595 67.052 2.362 8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 595 63.170 2.174 11.171 1.00 0.00 H new ATOM 0 HE2 TYR A 595 66.375 4.383 9.361 1.00 0.00 H new ATOM 0 HH TYR A 595 64.952 5.276 10.831 1.00 0.00 H new ATOM 879 N CYS A 596 67.231 -0.788 5.027 1.00 0.00 N ATOM 880 CA CYS A 596 67.864 -1.905 4.271 1.00 0.00 C ATOM 881 C CYS A 596 68.309 -2.969 5.267 1.00 0.00 C ATOM 882 O CYS A 596 68.728 -2.661 6.365 1.00 0.00 O ATOM 883 CB CYS A 596 69.085 -1.406 3.489 1.00 0.00 C ATOM 884 SG CYS A 596 68.882 0.341 3.067 1.00 0.00 S ATOM 0 H CYS A 596 67.596 0.143 4.826 1.00 0.00 H new ATOM 0 HA CYS A 596 67.143 -2.315 3.564 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.988 -1.542 4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.210 -1.995 2.581 1.00 0.00 H new ATOM 889 N GLN A 597 68.225 -4.213 4.897 1.00 0.00 N ATOM 890 CA GLN A 597 68.654 -5.293 5.826 1.00 0.00 C ATOM 891 C GLN A 597 70.047 -4.942 6.350 1.00 0.00 C ATOM 892 O GLN A 597 70.356 -5.142 7.506 1.00 0.00 O ATOM 893 CB GLN A 597 68.665 -6.619 5.057 1.00 0.00 C ATOM 894 CG GLN A 597 69.903 -7.459 5.408 1.00 0.00 C ATOM 895 CD GLN A 597 69.885 -7.842 6.894 1.00 0.00 C ATOM 896 OE1 GLN A 597 68.795 -7.676 7.593 1.00 0.00 O flip ATOM 897 NE2 GLN A 597 70.877 -8.300 7.424 1.00 0.00 N flip ATOM 0 H GLN A 597 67.878 -4.530 3.992 1.00 0.00 H new ATOM 0 HA GLN A 597 67.974 -5.391 6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 597 67.762 -7.184 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.650 -6.420 3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 597 69.926 -8.359 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.809 -6.896 5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 597 71.731 -8.431 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 597 70.857 -8.553 8.412 1.00 0.00 H new ATOM 906 N ASN A 598 70.873 -4.386 5.504 1.00 0.00 N ATOM 907 CA ASN A 598 72.237 -3.979 5.940 1.00 0.00 C ATOM 908 C ASN A 598 72.094 -2.849 6.960 1.00 0.00 C ATOM 909 O ASN A 598 72.793 -2.802 7.951 1.00 0.00 O ATOM 910 CB ASN A 598 73.038 -3.491 4.730 1.00 0.00 C ATOM 911 CG ASN A 598 74.411 -2.994 5.189 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.638 -1.805 5.290 1.00 0.00 O ATOM 913 ND2 ASN A 598 75.344 -3.861 5.474 1.00 0.00 N ATOM 0 H ASN A 598 70.659 -4.196 4.525 1.00 0.00 H new ATOM 0 HA ASN A 598 72.761 -4.823 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 598 73.155 -4.300 4.009 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.500 -2.689 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 598 76.262 -3.540 5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 598 75.155 -4.860 5.390 1.00 0.00 H new ATOM 920 N CYS A 599 71.164 -1.955 6.731 1.00 0.00 N ATOM 921 CA CYS A 599 70.939 -0.841 7.694 1.00 0.00 C ATOM 922 C CYS A 599 70.381 -1.444 8.980 1.00 0.00 C ATOM 923 O CYS A 599 70.981 -1.344 10.023 1.00 0.00 O ATOM 924 CB CYS A 599 69.932 0.160 7.117 1.00 0.00 C ATOM 925 SG CYS A 599 70.794 1.370 6.082 1.00 0.00 S ATOM 0 H CYS A 599 70.551 -1.952 5.916 1.00 0.00 H new ATOM 0 HA CYS A 599 71.874 -0.315 7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.180 -0.365 6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.407 0.668 7.926 1.00 0.00 H new ATOM 930 N PHE A 600 69.250 -2.103 8.899 1.00 0.00 N ATOM 931 CA PHE A 600 68.660 -2.754 10.109 1.00 0.00 C ATOM 932 C PHE A 600 69.761 -3.557 10.799 1.00 0.00 C ATOM 933 O PHE A 600 69.947 -3.488 11.997 1.00 0.00 O ATOM 934 CB PHE A 600 67.531 -3.687 9.655 1.00 0.00 C ATOM 935 CG PHE A 600 67.145 -4.642 10.763 1.00 0.00 C ATOM 936 CD1 PHE A 600 67.856 -5.837 10.937 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.068 -4.340 11.606 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.491 -6.727 11.953 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.705 -5.232 12.623 1.00 0.00 C ATOM 940 CZ PHE A 600 66.416 -6.425 12.796 1.00 0.00 C ATOM 0 H PHE A 600 68.709 -2.218 8.042 1.00 0.00 H new ATOM 0 HA PHE A 600 68.258 -2.014 10.801 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.663 -3.098 9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.849 -4.250 8.778 1.00 0.00 H new ATOM 0 HD1 PHE A 600 68.686 -6.071 10.287 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.518 -3.420 11.472 1.00 0.00 H new ATOM 0 HE1 PHE A 600 68.039 -7.648 12.087 1.00 0.00 H new ATOM 0 HE2 PHE A 600 64.876 -4.999 13.274 1.00 0.00 H new ATOM 0 HZ PHE A 600 66.135 -7.112 13.580 1.00 0.00 H new ATOM 950 N LEU A 601 70.510 -4.291 10.027 1.00 0.00 N ATOM 951 CA LEU A 601 71.637 -5.086 10.582 1.00 0.00 C ATOM 952 C LEU A 601 72.617 -4.118 11.257 1.00 0.00 C ATOM 953 O LEU A 601 73.340 -4.471 12.165 1.00 0.00 O ATOM 954 CB LEU A 601 72.317 -5.807 9.416 1.00 0.00 C ATOM 955 CG LEU A 601 73.562 -6.554 9.892 1.00 0.00 C ATOM 956 CD1 LEU A 601 73.146 -7.847 10.597 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.428 -6.887 8.675 1.00 0.00 C ATOM 0 H LEU A 601 70.386 -4.374 9.018 1.00 0.00 H new ATOM 0 HA LEU A 601 71.295 -5.817 11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.619 -6.509 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.592 -5.085 8.647 1.00 0.00 H new ATOM 0 HG LEU A 601 74.125 -5.934 10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 601 74.035 -8.379 10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.517 -7.608 11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.589 -8.477 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.321 -7.421 8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 601 73.861 -7.513 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.719 -5.965 8.172 1.00 0.00 H new ATOM 969 N LYS A 602 72.622 -2.893 10.807 1.00 0.00 N ATOM 970 CA LYS A 602 73.520 -1.853 11.384 1.00 0.00 C ATOM 971 C LYS A 602 72.816 -1.145 12.548 1.00 0.00 C ATOM 972 O LYS A 602 73.431 -0.794 13.535 1.00 0.00 O ATOM 973 CB LYS A 602 73.834 -0.823 10.295 1.00 0.00 C ATOM 974 CG LYS A 602 75.312 -0.440 10.346 1.00 0.00 C ATOM 975 CD LYS A 602 76.164 -1.564 9.743 1.00 0.00 C ATOM 976 CE LYS A 602 76.045 -1.541 8.216 1.00 0.00 C ATOM 977 NZ LYS A 602 77.244 -2.192 7.615 1.00 0.00 N ATOM 0 H LYS A 602 72.028 -2.563 10.047 1.00 0.00 H new ATOM 0 HA LYS A 602 74.436 -2.320 11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.590 -1.233 9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.215 0.064 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.476 0.487 9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.614 -0.256 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.206 -1.441 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.835 -2.529 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.140 -2.062 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 602 75.960 -0.513 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.258 -2.015 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.105 -1.799 8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.206 -3.217 7.788 1.00 0.00 H new ATOM 991 N LEU A 603 71.534 -0.914 12.427 1.00 0.00 N ATOM 992 CA LEU A 603 70.787 -0.212 13.512 1.00 0.00 C ATOM 993 C LEU A 603 70.355 -1.220 14.578 1.00 0.00 C ATOM 994 O LEU A 603 70.675 -1.085 15.743 1.00 0.00 O ATOM 995 CB LEU A 603 69.534 0.465 12.934 1.00 0.00 C ATOM 996 CG LEU A 603 69.809 1.022 11.531 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.600 1.836 11.062 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.047 1.924 11.549 1.00 0.00 C ATOM 0 H LEU A 603 70.971 -1.183 11.620 1.00 0.00 H new ATOM 0 HA LEU A 603 71.439 0.540 13.955 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.715 -0.253 12.890 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.215 1.272 13.594 1.00 0.00 H new ATOM 0 HG LEU A 603 69.986 0.190 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.793 2.233 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.719 1.195 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.426 2.661 11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.229 2.312 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 603 70.882 2.755 12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.912 1.348 11.878 1.00 0.00 H new ATOM 1010 N PHE A 604 69.618 -2.222 14.183 1.00 0.00 N ATOM 1011 CA PHE A 604 69.140 -3.243 15.158 1.00 0.00 C ATOM 1012 C PHE A 604 70.306 -4.121 15.615 1.00 0.00 C ATOM 1013 O PHE A 604 70.238 -4.767 16.643 1.00 0.00 O ATOM 1014 CB PHE A 604 68.078 -4.118 14.489 1.00 0.00 C ATOM 1015 CG PHE A 604 67.210 -4.761 15.547 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.225 -4.008 16.197 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.389 -6.111 15.875 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.421 -4.603 17.175 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.585 -6.706 16.853 1.00 0.00 C ATOM 1020 CZ PHE A 604 65.600 -5.952 17.503 1.00 0.00 C ATOM 0 H PHE A 604 69.324 -2.378 13.219 1.00 0.00 H new ATOM 0 HA PHE A 604 68.714 -2.739 16.025 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.465 -3.515 13.819 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.556 -4.886 13.880 1.00 0.00 H new ATOM 0 HD1 PHE A 604 66.086 -2.967 15.943 1.00 0.00 H new ATOM 0 HD2 PHE A 604 68.148 -6.693 15.373 1.00 0.00 H new ATOM 0 HE1 PHE A 604 64.662 -4.021 17.677 1.00 0.00 H new ATOM 0 HE2 PHE A 604 66.724 -7.747 17.107 1.00 0.00 H new ATOM 0 HZ PHE A 604 64.978 -6.411 18.257 1.00 0.00 H new ATOM 1030 N CYS A 605 71.373 -4.155 14.861 1.00 0.00 N ATOM 1031 CA CYS A 605 72.539 -5.000 15.258 1.00 0.00 C ATOM 1032 C CYS A 605 73.847 -4.291 14.882 1.00 0.00 C ATOM 1033 O CYS A 605 73.841 -3.074 14.825 1.00 0.00 O ATOM 1034 CB CYS A 605 72.450 -6.354 14.542 1.00 0.00 C ATOM 1035 SG CYS A 605 73.362 -7.599 15.487 1.00 0.00 S ATOM 1036 OXT CYS A 605 74.835 -4.976 14.665 1.00 0.00 O ATOM 0 H CYS A 605 71.488 -3.636 13.990 1.00 0.00 H new ATOM 0 HA CYS A 605 72.524 -5.160 16.336 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.407 -6.654 14.437 1.00 0.00 H new ATOM 0 HB3 CYS A 605 72.861 -6.273 13.536 1.00 0.00 H new ATOM 0 HG CYS A 605 73.285 -8.746 14.881 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 56.435 7.076 -6.219 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.306 2.098 4.485 1.00 0.00 ZN