USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 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 Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 547 SER OG : rot 170:sc= -0.255 USER MOD Single : A 550 SER OG : rot -60:sc= -0.0966 USER MOD Single : A 553 GLN : amide:sc= -5.39! K(o=-5.4!,f=-2.5) USER MOD Single : A 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 THR OG1 : rot 49:sc= 0.402 USER MOD Single : A 560 CYS SG : rot 22:sc= 0.927 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -136:sc= -0.0107 (180deg=-1.17) USER MOD Single : A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -108:sc= -0.07 (180deg=-2.21!) USER MOD Single : A 580 LYS NZ :NH3+ 157:sc=-0.00361 (180deg=-0.175) USER MOD Single : A 581 GLN : amide:sc= -0.593 K(o=-0.59,f=0) USER MOD Single : A 583 ASN : amide:sc= -1.04 K(o=-1,f=-2.4) USER MOD Single : A 584 LYS NZ :NH3+ -129:sc= 0.0352 (180deg=-0.868) 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 : amide:sc= -2.27 K(o=-2.3,f=-0.32) 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 30:sc= 0 USER MOD Single : A 597 GLN : amide:sc= -3.98! C(o=-4!,f=-2.2!) USER MOD Single : A 598 ASN : amide:sc= -3.36! K(o=-3.4!,f=-2.4) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0122 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 37.757 -0.739 -15.855 1.00 0.00 N ATOM 2 CA TYR A 541 38.321 -0.186 -17.120 1.00 0.00 C ATOM 3 C TYR A 541 39.486 0.752 -16.793 1.00 0.00 C ATOM 4 O TYR A 541 39.634 1.204 -15.674 1.00 0.00 O ATOM 5 CB TYR A 541 37.233 0.591 -17.867 1.00 0.00 C ATOM 6 CG TYR A 541 36.249 -0.377 -18.482 1.00 0.00 C ATOM 7 CD1 TYR A 541 36.499 -0.920 -19.749 1.00 0.00 C ATOM 8 CD2 TYR A 541 35.085 -0.731 -17.787 1.00 0.00 C ATOM 9 CE1 TYR A 541 35.586 -1.816 -20.320 1.00 0.00 C ATOM 10 CE2 TYR A 541 34.173 -1.627 -18.359 1.00 0.00 C ATOM 11 CZ TYR A 541 34.424 -2.169 -19.625 1.00 0.00 C ATOM 12 OH TYR A 541 33.525 -3.051 -20.188 1.00 0.00 O ATOM 0 HA TYR A 541 38.678 -1.003 -17.746 1.00 0.00 H new ATOM 0 HB2 TYR A 541 36.717 1.263 -17.182 1.00 0.00 H new ATOM 0 HB3 TYR A 541 37.682 1.210 -18.643 1.00 0.00 H new ATOM 0 HD1 TYR A 541 37.396 -0.648 -20.286 1.00 0.00 H new ATOM 0 HD2 TYR A 541 34.891 -0.313 -16.810 1.00 0.00 H new ATOM 0 HE1 TYR A 541 35.779 -2.234 -21.297 1.00 0.00 H new ATOM 0 HE2 TYR A 541 33.276 -1.900 -17.823 1.00 0.00 H new ATOM 0 HH TYR A 541 32.774 -3.189 -19.574 1.00 0.00 H new ATOM 22 N HIS A 542 40.307 1.053 -17.770 1.00 0.00 N ATOM 23 CA HIS A 542 41.466 1.964 -17.544 1.00 0.00 C ATOM 24 C HIS A 542 42.300 1.475 -16.352 1.00 0.00 C ATOM 25 O HIS A 542 42.195 0.338 -15.932 1.00 0.00 O ATOM 26 CB HIS A 542 40.963 3.387 -17.277 1.00 0.00 C ATOM 27 CG HIS A 542 39.608 3.586 -17.905 1.00 0.00 C ATOM 28 ND1 HIS A 542 38.446 3.651 -17.152 1.00 0.00 N ATOM 29 CD2 HIS A 542 39.216 3.735 -19.212 1.00 0.00 C ATOM 30 CE1 HIS A 542 37.420 3.833 -18.004 1.00 0.00 C ATOM 31 NE2 HIS A 542 37.834 3.891 -19.272 1.00 0.00 N ATOM 0 H HIS A 542 40.220 0.701 -18.723 1.00 0.00 H new ATOM 0 HA HIS A 542 42.093 1.965 -18.436 1.00 0.00 H new ATOM 0 HB2 HIS A 542 40.904 3.564 -16.203 1.00 0.00 H new ATOM 0 HB3 HIS A 542 41.669 4.112 -17.681 1.00 0.00 H new ATOM 0 HD2 HIS A 542 39.879 3.732 -20.064 1.00 0.00 H new ATOM 0 HE1 HIS A 542 36.388 3.921 -17.699 1.00 0.00 H new ATOM 0 HE2 HIS A 542 37.261 4.022 -20.106 1.00 0.00 H new ATOM 39 N GLU A 543 43.133 2.327 -15.812 1.00 0.00 N ATOM 40 CA GLU A 543 43.983 1.922 -14.653 1.00 0.00 C ATOM 41 C GLU A 543 44.366 3.170 -13.848 1.00 0.00 C ATOM 42 O GLU A 543 45.473 3.295 -13.359 1.00 0.00 O ATOM 43 CB GLU A 543 45.251 1.218 -15.159 1.00 0.00 C ATOM 44 CG GLU A 543 45.649 1.781 -16.526 1.00 0.00 C ATOM 45 CD GLU A 543 45.979 3.272 -16.398 1.00 0.00 C ATOM 46 OE1 GLU A 543 45.148 4.078 -16.786 1.00 0.00 O ATOM 47 OE2 GLU A 543 47.054 3.582 -15.913 1.00 0.00 O ATOM 0 H GLU A 543 43.261 3.289 -16.125 1.00 0.00 H new ATOM 0 HA GLU A 543 43.428 1.234 -14.016 1.00 0.00 H new ATOM 0 HB2 GLU A 543 46.064 1.359 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 543 45.076 0.145 -15.235 1.00 0.00 H new ATOM 0 HG2 GLU A 543 46.512 1.240 -16.915 1.00 0.00 H new ATOM 0 HG3 GLU A 543 44.836 1.639 -17.238 1.00 0.00 H new ATOM 54 N ARG A 544 43.454 4.096 -13.710 1.00 0.00 N ATOM 55 CA ARG A 544 43.752 5.343 -12.944 1.00 0.00 C ATOM 56 C ARG A 544 43.766 5.041 -11.440 1.00 0.00 C ATOM 57 O ARG A 544 43.893 5.932 -10.622 1.00 0.00 O ATOM 58 CB ARG A 544 42.677 6.393 -13.250 1.00 0.00 C ATOM 59 CG ARG A 544 43.136 7.282 -14.410 1.00 0.00 C ATOM 60 CD ARG A 544 43.239 6.443 -15.684 1.00 0.00 C ATOM 61 NE ARG A 544 42.540 7.143 -16.802 1.00 0.00 N ATOM 62 CZ ARG A 544 42.740 6.773 -18.040 1.00 0.00 C ATOM 63 NH1 ARG A 544 42.121 7.388 -19.008 1.00 0.00 N ATOM 64 NH2 ARG A 544 43.555 5.790 -18.311 1.00 0.00 N ATOM 0 H ARG A 544 42.512 4.042 -14.096 1.00 0.00 H new ATOM 0 HA ARG A 544 44.730 5.724 -13.238 1.00 0.00 H new ATOM 0 HB2 ARG A 544 41.738 5.902 -13.506 1.00 0.00 H new ATOM 0 HB3 ARG A 544 42.488 7.002 -12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 544 42.431 8.100 -14.556 1.00 0.00 H new ATOM 0 HG3 ARG A 544 44.102 7.731 -14.178 1.00 0.00 H new ATOM 0 HD2 ARG A 544 44.286 6.281 -15.941 1.00 0.00 H new ATOM 0 HD3 ARG A 544 42.795 5.461 -15.522 1.00 0.00 H new ATOM 0 HE ARG A 544 41.903 7.914 -16.599 1.00 0.00 H new ATOM 0 HH11 ARG A 544 41.483 8.156 -18.799 1.00 0.00 H new ATOM 0 HH12 ARG A 544 42.275 7.102 -19.975 1.00 0.00 H new ATOM 0 HH21 ARG A 544 44.040 5.306 -17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 544 43.707 5.506 -19.279 1.00 0.00 H new ATOM 78 N ARG A 545 43.640 3.791 -11.071 1.00 0.00 N ATOM 79 CA ARG A 545 43.650 3.424 -9.623 1.00 0.00 C ATOM 80 C ARG A 545 44.659 2.301 -9.395 1.00 0.00 C ATOM 81 O ARG A 545 45.605 2.145 -10.144 1.00 0.00 O ATOM 82 CB ARG A 545 42.262 2.942 -9.205 1.00 0.00 C ATOM 83 CG ARG A 545 41.199 3.829 -9.853 1.00 0.00 C ATOM 84 CD ARG A 545 39.918 3.797 -9.016 1.00 0.00 C ATOM 85 NE ARG A 545 39.505 5.193 -8.647 1.00 0.00 N ATOM 86 CZ ARG A 545 40.358 6.051 -8.142 1.00 0.00 C ATOM 87 NH1 ARG A 545 39.975 7.274 -7.902 1.00 0.00 N ATOM 88 NH2 ARG A 545 41.576 5.688 -7.849 1.00 0.00 N ATOM 0 H ARG A 545 43.530 3.006 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 545 43.926 4.297 -9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 545 42.119 1.905 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 545 42.166 2.974 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 545 41.566 4.852 -9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 545 40.992 3.483 -10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 545 39.120 3.310 -9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 545 40.079 3.207 -8.114 1.00 0.00 H new ATOM 0 HE ARG A 545 38.537 5.481 -8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 545 39.017 7.558 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 545 40.633 7.947 -7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 545 41.875 4.727 -8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 545 42.230 6.366 -7.457 1.00 0.00 H new ATOM 102 N GLY A 546 44.461 1.513 -8.370 1.00 0.00 N ATOM 103 CA GLY A 546 45.404 0.394 -8.096 1.00 0.00 C ATOM 104 C GLY A 546 45.943 0.510 -6.669 1.00 0.00 C ATOM 105 O GLY A 546 45.255 0.215 -5.711 1.00 0.00 O ATOM 0 H GLY A 546 43.686 1.598 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 546 44.897 -0.562 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 546 46.228 0.417 -8.809 1.00 0.00 H new ATOM 109 N SER A 547 47.171 0.937 -6.522 1.00 0.00 N ATOM 110 CA SER A 547 47.765 1.073 -5.158 1.00 0.00 C ATOM 111 C SER A 547 48.553 2.381 -5.078 1.00 0.00 C ATOM 112 O SER A 547 49.497 2.590 -5.813 1.00 0.00 O ATOM 113 CB SER A 547 48.705 -0.106 -4.893 1.00 0.00 C ATOM 114 OG SER A 547 48.113 -0.971 -3.932 1.00 0.00 O ATOM 0 H SER A 547 47.790 1.198 -7.290 1.00 0.00 H new ATOM 0 HA SER A 547 46.971 1.079 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 547 48.897 -0.649 -5.819 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.667 0.255 -4.530 1.00 0.00 H new ATOM 0 HG SER A 547 48.629 -1.802 -3.878 1.00 0.00 H new ATOM 120 N LEU A 548 48.172 3.264 -4.194 1.00 0.00 N ATOM 121 CA LEU A 548 48.899 4.560 -4.072 1.00 0.00 C ATOM 122 C LEU A 548 50.264 4.328 -3.426 1.00 0.00 C ATOM 123 O LEU A 548 50.393 3.590 -2.470 1.00 0.00 O ATOM 124 CB LEU A 548 48.090 5.529 -3.203 1.00 0.00 C ATOM 125 CG LEU A 548 47.085 6.298 -4.069 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.205 5.316 -4.844 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.204 7.172 -3.171 1.00 0.00 C ATOM 0 H LEU A 548 47.389 3.144 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 548 49.033 4.986 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.564 4.978 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 548 48.760 6.228 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 548 47.628 6.926 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.494 5.870 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 548 46.830 4.695 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 548 45.663 4.682 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 548 45.489 7.720 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 548 45.666 6.541 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 548 46.829 7.878 -2.625 1.00 0.00 H new ATOM 139 N CYS A 549 51.279 4.975 -3.931 1.00 0.00 N ATOM 140 CA CYS A 549 52.634 4.822 -3.344 1.00 0.00 C ATOM 141 C CYS A 549 52.691 5.670 -2.088 1.00 0.00 C ATOM 142 O CYS A 549 52.649 6.882 -2.153 1.00 0.00 O ATOM 143 CB CYS A 549 53.686 5.310 -4.348 1.00 0.00 C ATOM 144 SG CYS A 549 55.075 6.101 -3.480 1.00 0.00 S ATOM 0 H CYS A 549 51.224 5.606 -4.730 1.00 0.00 H new ATOM 0 HA CYS A 549 52.836 3.777 -3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.050 4.470 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.234 6.017 -5.043 1.00 0.00 H new ATOM 149 N SER A 550 52.774 5.052 -0.944 1.00 0.00 N ATOM 150 CA SER A 550 52.826 5.847 0.308 1.00 0.00 C ATOM 151 C SER A 550 53.928 6.891 0.152 1.00 0.00 C ATOM 152 O SER A 550 55.094 6.573 0.028 1.00 0.00 O ATOM 153 CB SER A 550 53.118 4.942 1.499 1.00 0.00 C ATOM 154 OG SER A 550 52.080 3.980 1.623 1.00 0.00 O ATOM 0 H SER A 550 52.808 4.040 -0.824 1.00 0.00 H new ATOM 0 HA SER A 550 51.867 6.333 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.078 4.443 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.192 5.534 2.411 1.00 0.00 H new ATOM 0 HG SER A 550 51.225 4.438 1.763 1.00 0.00 H new ATOM 160 N GLY A 551 53.547 8.130 0.106 1.00 0.00 N ATOM 161 CA GLY A 551 54.535 9.225 -0.101 1.00 0.00 C ATOM 162 C GLY A 551 54.137 9.971 -1.375 1.00 0.00 C ATOM 163 O GLY A 551 54.363 11.157 -1.514 1.00 0.00 O ATOM 0 H GLY A 551 52.580 8.439 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 551 54.541 9.902 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 551 55.543 8.819 -0.193 1.00 0.00 H new ATOM 167 N CYS A 552 53.529 9.268 -2.301 1.00 0.00 N ATOM 168 CA CYS A 552 53.085 9.901 -3.576 1.00 0.00 C ATOM 169 C CYS A 552 51.566 10.057 -3.561 1.00 0.00 C ATOM 170 O CYS A 552 51.020 10.937 -4.196 1.00 0.00 O ATOM 171 CB CYS A 552 53.465 8.999 -4.750 1.00 0.00 C ATOM 172 SG CYS A 552 55.071 9.498 -5.403 1.00 0.00 S ATOM 0 H CYS A 552 53.321 8.272 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 552 53.564 10.875 -3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 552 53.500 7.959 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 552 52.708 9.064 -5.531 1.00 0.00 H new ATOM 177 N GLN A 553 50.882 9.191 -2.855 1.00 0.00 N ATOM 178 CA GLN A 553 49.392 9.260 -2.806 1.00 0.00 C ATOM 179 C GLN A 553 48.844 9.139 -4.231 1.00 0.00 C ATOM 180 O GLN A 553 47.788 9.649 -4.554 1.00 0.00 O ATOM 181 CB GLN A 553 48.949 10.586 -2.178 1.00 0.00 C ATOM 182 CG GLN A 553 49.324 10.598 -0.692 1.00 0.00 C ATOM 183 CD GLN A 553 50.823 10.870 -0.533 1.00 0.00 C ATOM 184 OE1 GLN A 553 51.367 11.744 -1.177 1.00 0.00 O ATOM 185 NE2 GLN A 553 51.516 10.153 0.307 1.00 0.00 N ATOM 0 H GLN A 553 51.296 8.436 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 553 49.004 8.444 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 553 49.426 11.421 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 553 47.873 10.714 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 553 48.750 11.363 -0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 553 49.069 9.641 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 553 51.060 9.419 0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 553 52.514 10.326 0.423 1.00 0.00 H new ATOM 194 N LYS A 554 49.564 8.451 -5.078 1.00 0.00 N ATOM 195 CA LYS A 554 49.121 8.258 -6.488 1.00 0.00 C ATOM 196 C LYS A 554 49.297 6.780 -6.840 1.00 0.00 C ATOM 197 O LYS A 554 50.269 6.165 -6.444 1.00 0.00 O ATOM 198 CB LYS A 554 49.984 9.113 -7.424 1.00 0.00 C ATOM 199 CG LYS A 554 49.685 10.600 -7.198 1.00 0.00 C ATOM 200 CD LYS A 554 48.265 10.920 -7.673 1.00 0.00 C ATOM 201 CE LYS A 554 48.148 12.417 -7.974 1.00 0.00 C ATOM 202 NZ LYS A 554 46.769 12.721 -8.452 1.00 0.00 N ATOM 0 H LYS A 554 50.454 8.009 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 554 48.079 8.557 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 554 51.040 8.914 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 554 49.784 8.847 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 554 49.789 10.845 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 554 50.406 11.212 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 554 48.030 10.340 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 554 47.542 10.635 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.370 12.997 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 554 48.878 12.705 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 46.689 13.738 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 46.574 12.177 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 46.081 12.461 -7.717 1.00 0.00 H new ATOM 216 N PRO A 555 48.365 6.205 -7.563 1.00 0.00 N ATOM 217 CA PRO A 555 48.448 4.768 -7.933 1.00 0.00 C ATOM 218 C PRO A 555 49.818 4.352 -8.460 1.00 0.00 C ATOM 219 O PRO A 555 50.571 5.148 -8.989 1.00 0.00 O ATOM 220 CB PRO A 555 47.387 4.643 -9.016 1.00 0.00 C ATOM 221 CG PRO A 555 46.487 5.881 -8.947 1.00 0.00 C ATOM 222 CD PRO A 555 47.171 6.935 -8.065 1.00 0.00 C ATOM 0 HA PRO A 555 48.294 4.117 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 555 47.853 4.566 -9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 555 46.799 3.737 -8.870 1.00 0.00 H new ATOM 0 HG2 PRO A 555 46.314 6.279 -9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 555 45.513 5.618 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 555 47.447 7.823 -8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 555 46.525 7.265 -7.252 1.00 0.00 H new ATOM 230 N ILE A 556 50.135 3.101 -8.307 1.00 0.00 N ATOM 231 CA ILE A 556 51.445 2.583 -8.774 1.00 0.00 C ATOM 232 C ILE A 556 51.220 1.726 -10.024 1.00 0.00 C ATOM 233 O ILE A 556 50.912 0.552 -9.939 1.00 0.00 O ATOM 234 CB ILE A 556 52.054 1.743 -7.648 1.00 0.00 C ATOM 235 CG1 ILE A 556 52.405 2.662 -6.466 1.00 0.00 C ATOM 236 CG2 ILE A 556 53.319 1.043 -8.151 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.434 1.856 -5.163 1.00 0.00 C ATOM 0 H ILE A 556 49.531 2.404 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 556 52.124 3.398 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 556 51.336 0.990 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 556 53.375 3.130 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 556 51.672 3.465 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 556 53.749 0.446 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 556 53.067 0.394 -8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 556 54.043 1.790 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 556 52.684 2.516 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 556 51.455 1.409 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.184 1.069 -5.239 1.00 0.00 H new ATOM 249 N THR A 557 51.355 2.313 -11.185 1.00 0.00 N ATOM 250 CA THR A 557 51.135 1.549 -12.448 1.00 0.00 C ATOM 251 C THR A 557 52.393 0.749 -12.802 1.00 0.00 C ATOM 252 O THR A 557 53.259 1.213 -13.519 1.00 0.00 O ATOM 253 CB THR A 557 50.806 2.526 -13.581 1.00 0.00 C ATOM 254 OG1 THR A 557 51.770 3.571 -13.599 1.00 0.00 O ATOM 255 CG2 THR A 557 49.412 3.120 -13.359 1.00 0.00 C ATOM 0 H THR A 557 51.609 3.293 -11.312 1.00 0.00 H new ATOM 0 HA THR A 557 50.304 0.857 -12.311 1.00 0.00 H new ATOM 0 HB THR A 557 50.825 1.996 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 557 52.670 3.186 -13.561 1.00 0.00 H new ATOM 0 HG21 THR A 557 49.180 3.815 -14.166 1.00 0.00 H new ATOM 0 HG22 THR A 557 48.673 2.319 -13.346 1.00 0.00 H new ATOM 0 HG23 THR A 557 49.390 3.650 -12.407 1.00 0.00 H new ATOM 263 N GLY A 558 52.493 -0.452 -12.296 1.00 0.00 N ATOM 264 CA GLY A 558 53.681 -1.306 -12.582 1.00 0.00 C ATOM 265 C GLY A 558 54.067 -2.041 -11.302 1.00 0.00 C ATOM 266 O GLY A 558 53.233 -2.298 -10.455 1.00 0.00 O ATOM 0 H GLY A 558 51.794 -0.881 -11.690 1.00 0.00 H new ATOM 0 HA2 GLY A 558 53.453 -2.019 -13.374 1.00 0.00 H new ATOM 0 HA3 GLY A 558 54.512 -0.694 -12.933 1.00 0.00 H new ATOM 270 N ARG A 559 55.321 -2.368 -11.139 1.00 0.00 N ATOM 271 CA ARG A 559 55.746 -3.067 -9.894 1.00 0.00 C ATOM 272 C ARG A 559 55.346 -2.207 -8.697 1.00 0.00 C ATOM 273 O ARG A 559 55.175 -1.010 -8.819 1.00 0.00 O ATOM 274 CB ARG A 559 57.266 -3.260 -9.909 1.00 0.00 C ATOM 275 CG ARG A 559 57.603 -4.654 -10.449 1.00 0.00 C ATOM 276 CD ARG A 559 57.935 -5.592 -9.283 1.00 0.00 C ATOM 277 NE ARG A 559 59.064 -6.505 -9.660 1.00 0.00 N ATOM 278 CZ ARG A 559 59.076 -7.144 -10.805 1.00 0.00 C ATOM 279 NH1 ARG A 559 60.115 -7.861 -11.132 1.00 0.00 N ATOM 280 NH2 ARG A 559 58.047 -7.100 -11.604 1.00 0.00 N ATOM 0 H ARG A 559 56.065 -2.182 -11.811 1.00 0.00 H new ATOM 0 HA ARG A 559 55.267 -4.044 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 559 57.733 -2.496 -10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 559 57.667 -3.142 -8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 559 56.760 -5.048 -11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 559 58.449 -4.595 -11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 559 58.207 -5.009 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 559 57.056 -6.179 -9.017 1.00 0.00 H new ATOM 0 HE ARG A 559 59.840 -6.632 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 559 60.912 -7.922 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 559 60.131 -8.360 -12.021 1.00 0.00 H new ATOM 0 HH21 ARG A 559 57.220 -6.564 -11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 559 58.069 -7.601 -12.492 1.00 0.00 H new ATOM 294 N CYS A 560 55.183 -2.798 -7.547 1.00 0.00 N ATOM 295 CA CYS A 560 54.783 -1.995 -6.360 1.00 0.00 C ATOM 296 C CYS A 560 55.241 -2.686 -5.080 1.00 0.00 C ATOM 297 O CYS A 560 55.103 -3.883 -4.919 1.00 0.00 O ATOM 298 CB CYS A 560 53.262 -1.839 -6.343 1.00 0.00 C ATOM 299 SG CYS A 560 52.489 -3.430 -5.957 1.00 0.00 S ATOM 0 H CYS A 560 55.309 -3.796 -7.378 1.00 0.00 H new ATOM 0 HA CYS A 560 55.252 -1.013 -6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 560 52.972 -1.094 -5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 560 52.913 -1.480 -7.311 1.00 0.00 H new ATOM 0 HG CYS A 560 53.347 -4.193 -5.348 1.00 0.00 H new ATOM 305 N ILE A 561 55.782 -1.929 -4.168 1.00 0.00 N ATOM 306 CA ILE A 561 56.253 -2.517 -2.884 1.00 0.00 C ATOM 307 C ILE A 561 55.127 -2.436 -1.854 1.00 0.00 C ATOM 308 O ILE A 561 54.322 -1.527 -1.875 1.00 0.00 O ATOM 309 CB ILE A 561 57.464 -1.731 -2.370 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.366 -1.331 -3.549 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.254 -2.596 -1.384 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.946 -2.583 -4.217 1.00 0.00 C ATOM 0 H ILE A 561 55.919 -0.922 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 561 56.538 -3.557 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 561 57.119 -0.829 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.794 -0.754 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.174 -0.689 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.115 -2.037 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.614 -2.867 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.596 -3.501 -1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 561 59.583 -2.288 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.535 -3.143 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.133 -3.209 -4.585 1.00 0.00 H new ATOM 324 N THR A 562 55.074 -3.376 -0.948 1.00 0.00 N ATOM 325 CA THR A 562 54.011 -3.357 0.098 1.00 0.00 C ATOM 326 C THR A 562 54.675 -3.471 1.468 1.00 0.00 C ATOM 327 O THR A 562 55.142 -4.525 1.858 1.00 0.00 O ATOM 328 CB THR A 562 53.054 -4.534 -0.111 1.00 0.00 C ATOM 329 OG1 THR A 562 52.415 -4.402 -1.373 1.00 0.00 O ATOM 330 CG2 THR A 562 52.000 -4.545 0.999 1.00 0.00 C ATOM 0 H THR A 562 55.724 -4.159 -0.888 1.00 0.00 H new ATOM 0 HA THR A 562 53.444 -2.428 0.033 1.00 0.00 H new ATOM 0 HB THR A 562 53.615 -5.468 -0.082 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.803 -5.155 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.321 -5.384 0.847 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.492 -4.647 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.436 -3.612 0.975 1.00 0.00 H new ATOM 338 N ALA A 563 54.725 -2.392 2.197 1.00 0.00 N ATOM 339 CA ALA A 563 55.365 -2.425 3.542 1.00 0.00 C ATOM 340 C ALA A 563 54.313 -2.782 4.593 1.00 0.00 C ATOM 341 O ALA A 563 53.586 -3.745 4.446 1.00 0.00 O ATOM 342 CB ALA A 563 55.968 -1.051 3.841 1.00 0.00 C ATOM 0 H ALA A 563 54.349 -1.485 1.919 1.00 0.00 H new ATOM 0 HA ALA A 563 56.155 -3.175 3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.439 -1.066 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.715 -0.809 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.181 -0.297 3.827 1.00 0.00 H new ATOM 348 N MET A 564 54.221 -2.011 5.644 1.00 0.00 N ATOM 349 CA MET A 564 53.207 -2.296 6.697 1.00 0.00 C ATOM 350 C MET A 564 51.831 -1.934 6.145 1.00 0.00 C ATOM 351 O MET A 564 51.159 -1.051 6.642 1.00 0.00 O ATOM 352 CB MET A 564 53.503 -1.444 7.928 1.00 0.00 C ATOM 353 CG MET A 564 54.874 -1.818 8.499 1.00 0.00 C ATOM 354 SD MET A 564 55.210 -0.816 9.969 1.00 0.00 S ATOM 355 CE MET A 564 54.414 -1.900 11.181 1.00 0.00 C ATOM 0 H MET A 564 54.807 -1.194 5.818 1.00 0.00 H new ATOM 0 HA MET A 564 53.236 -3.349 6.977 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.485 -0.387 7.663 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.731 -1.597 8.682 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.896 -2.877 8.755 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.649 -1.655 7.750 1.00 0.00 H new ATOM 0 HE1 MET A 564 53.818 -1.301 11.869 1.00 0.00 H new ATOM 0 HE2 MET A 564 53.767 -2.610 10.665 1.00 0.00 H new ATOM 0 HE3 MET A 564 55.176 -2.443 11.739 1.00 0.00 H new ATOM 365 N ALA A 565 51.435 -2.594 5.091 1.00 0.00 N ATOM 366 CA ALA A 565 50.123 -2.298 4.441 1.00 0.00 C ATOM 367 C ALA A 565 50.279 -1.032 3.597 1.00 0.00 C ATOM 368 O ALA A 565 49.435 -0.702 2.787 1.00 0.00 O ATOM 369 CB ALA A 565 49.031 -2.093 5.499 1.00 0.00 C ATOM 0 H ALA A 565 51.972 -3.337 4.645 1.00 0.00 H new ATOM 0 HA ALA A 565 49.828 -3.137 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 565 48.083 -1.878 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.932 -2.997 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.302 -1.257 6.144 1.00 0.00 H new ATOM 375 N LYS A 566 51.371 -0.331 3.780 1.00 0.00 N ATOM 376 CA LYS A 566 51.619 0.910 2.995 1.00 0.00 C ATOM 377 C LYS A 566 52.354 0.546 1.706 1.00 0.00 C ATOM 378 O LYS A 566 53.311 -0.203 1.720 1.00 0.00 O ATOM 379 CB LYS A 566 52.486 1.863 3.822 1.00 0.00 C ATOM 380 CG LYS A 566 51.600 2.907 4.506 1.00 0.00 C ATOM 381 CD LYS A 566 52.479 3.934 5.224 1.00 0.00 C ATOM 382 CE LYS A 566 52.997 3.343 6.539 1.00 0.00 C ATOM 383 NZ LYS A 566 54.431 3.707 6.718 1.00 0.00 N ATOM 0 H LYS A 566 52.105 -0.571 4.446 1.00 0.00 H new ATOM 0 HA LYS A 566 50.672 1.393 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.047 1.303 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.215 2.356 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 566 50.971 3.404 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 566 50.933 2.422 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 566 53.317 4.218 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.907 4.841 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 566 52.408 3.719 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 566 52.884 2.259 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 54.782 3.306 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 54.987 3.327 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 54.526 4.742 6.743 1.00 0.00 H new ATOM 397 N LYS A 567 51.914 1.064 0.590 1.00 0.00 N ATOM 398 CA LYS A 567 52.587 0.740 -0.697 1.00 0.00 C ATOM 399 C LYS A 567 53.634 1.803 -1.008 1.00 0.00 C ATOM 400 O LYS A 567 53.701 2.827 -0.362 1.00 0.00 O ATOM 401 CB LYS A 567 51.548 0.691 -1.817 1.00 0.00 C ATOM 402 CG LYS A 567 50.855 -0.672 -1.807 1.00 0.00 C ATOM 403 CD LYS A 567 50.285 -0.949 -0.412 1.00 0.00 C ATOM 404 CE LYS A 567 49.220 -2.042 -0.502 1.00 0.00 C ATOM 405 NZ LYS A 567 49.081 -2.711 0.823 1.00 0.00 N ATOM 0 H LYS A 567 51.118 1.697 0.516 1.00 0.00 H new ATOM 0 HA LYS A 567 53.076 -0.231 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 567 50.814 1.486 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.028 0.860 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.055 -0.690 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.563 -1.453 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.083 -1.259 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.852 -0.039 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.266 -1.611 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.496 -2.772 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.489 -3.666 0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.582 -2.157 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.074 -2.778 1.074 1.00 0.00 H new ATOM 419 N PHE A 568 54.453 1.560 -1.990 1.00 0.00 N ATOM 420 CA PHE A 568 55.513 2.546 -2.354 1.00 0.00 C ATOM 421 C PHE A 568 55.951 2.295 -3.791 1.00 0.00 C ATOM 422 O PHE A 568 56.168 1.164 -4.183 1.00 0.00 O ATOM 423 CB PHE A 568 56.744 2.337 -1.460 1.00 0.00 C ATOM 424 CG PHE A 568 56.493 2.828 -0.053 1.00 0.00 C ATOM 425 CD1 PHE A 568 56.763 4.160 0.284 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.012 1.943 0.922 1.00 0.00 C ATOM 427 CE1 PHE A 568 56.550 4.607 1.594 1.00 0.00 C ATOM 428 CE2 PHE A 568 55.797 2.392 2.230 1.00 0.00 C ATOM 429 CZ PHE A 568 56.066 3.723 2.566 1.00 0.00 C ATOM 0 H PHE A 568 54.436 0.716 -2.562 1.00 0.00 H new ATOM 0 HA PHE A 568 55.116 3.554 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.003 1.279 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.598 2.865 -1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 568 57.135 4.842 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 568 55.807 0.915 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 568 56.759 5.634 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 568 55.423 1.711 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 568 55.900 4.069 3.576 1.00 0.00 H new ATOM 439 N HIS A 569 56.131 3.328 -4.573 1.00 0.00 N ATOM 440 CA HIS A 569 56.613 3.100 -5.961 1.00 0.00 C ATOM 441 C HIS A 569 57.938 2.343 -5.842 1.00 0.00 C ATOM 442 O HIS A 569 58.762 2.685 -5.016 1.00 0.00 O ATOM 443 CB HIS A 569 56.865 4.436 -6.669 1.00 0.00 C ATOM 444 CG HIS A 569 55.584 4.978 -7.242 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.026 6.160 -6.787 1.00 0.00 N ATOM 446 CD2 HIS A 569 54.754 4.528 -8.238 1.00 0.00 C ATOM 447 CE1 HIS A 569 53.907 6.384 -7.500 1.00 0.00 C ATOM 448 NE2 HIS A 569 53.696 5.419 -8.398 1.00 0.00 N ATOM 0 H HIS A 569 55.968 4.301 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 569 55.873 2.544 -6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 569 57.288 5.153 -5.965 1.00 0.00 H new ATOM 0 HB3 HIS A 569 57.598 4.300 -7.465 1.00 0.00 H new ATOM 0 HD2 HIS A 569 54.899 3.623 -8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 569 53.260 7.238 -7.363 1.00 0.00 H new ATOM 0 HE2 HIS A 569 52.924 5.349 -9.061 1.00 0.00 H new ATOM 456 N PRO A 570 58.147 1.324 -6.632 1.00 0.00 N ATOM 457 CA PRO A 570 59.412 0.538 -6.561 1.00 0.00 C ATOM 458 C PRO A 570 60.663 1.426 -6.580 1.00 0.00 C ATOM 459 O PRO A 570 61.765 0.969 -6.348 1.00 0.00 O ATOM 460 CB PRO A 570 59.316 -0.327 -7.815 1.00 0.00 C ATOM 461 CG PRO A 570 57.849 -0.343 -8.257 1.00 0.00 C ATOM 462 CD PRO A 570 57.154 0.875 -7.643 1.00 0.00 C ATOM 0 HA PRO A 570 59.513 -0.028 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 570 59.950 0.074 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 570 59.665 -1.339 -7.609 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.779 -0.313 -9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 570 57.363 -1.263 -7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 570 56.952 1.646 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.199 0.613 -7.188 1.00 0.00 H new ATOM 470 N GLU A 571 60.487 2.695 -6.841 1.00 0.00 N ATOM 471 CA GLU A 571 61.642 3.636 -6.864 1.00 0.00 C ATOM 472 C GLU A 571 61.517 4.628 -5.699 1.00 0.00 C ATOM 473 O GLU A 571 62.459 5.320 -5.364 1.00 0.00 O ATOM 474 CB GLU A 571 61.642 4.405 -8.188 1.00 0.00 C ATOM 475 CG GLU A 571 60.315 5.155 -8.343 1.00 0.00 C ATOM 476 CD GLU A 571 60.357 6.024 -9.602 1.00 0.00 C ATOM 477 OE1 GLU A 571 60.565 7.219 -9.466 1.00 0.00 O ATOM 478 OE2 GLU A 571 60.178 5.481 -10.680 1.00 0.00 O ATOM 0 H GLU A 571 59.583 3.122 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 571 62.571 3.075 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 571 62.474 5.108 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.782 3.716 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 571 59.490 4.445 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.133 5.777 -7.466 1.00 0.00 H new ATOM 485 N HIS A 572 60.362 4.704 -5.079 1.00 0.00 N ATOM 486 CA HIS A 572 60.184 5.653 -3.937 1.00 0.00 C ATOM 487 C HIS A 572 60.297 4.890 -2.619 1.00 0.00 C ATOM 488 O HIS A 572 60.443 5.477 -1.564 1.00 0.00 O ATOM 489 CB HIS A 572 58.817 6.343 -4.039 1.00 0.00 C ATOM 490 CG HIS A 572 58.812 7.212 -5.270 1.00 0.00 C ATOM 491 ND1 HIS A 572 57.645 7.653 -5.889 1.00 0.00 N ATOM 492 CD2 HIS A 572 59.845 7.725 -6.020 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.011 8.389 -6.957 1.00 0.00 C ATOM 494 NE2 HIS A 572 59.335 8.463 -7.079 1.00 0.00 N ATOM 0 H HIS A 572 59.538 4.151 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 572 60.962 6.416 -3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.021 5.601 -4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 572 58.629 6.944 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 572 60.895 7.576 -5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 572 57.314 8.862 -7.633 1.00 0.00 H new ATOM 0 HE2 HIS A 572 59.863 8.957 -7.798 1.00 0.00 H new ATOM 502 N PHE A 573 60.262 3.586 -2.675 1.00 0.00 N ATOM 503 CA PHE A 573 60.404 2.781 -1.434 1.00 0.00 C ATOM 504 C PHE A 573 61.872 2.827 -1.029 1.00 0.00 C ATOM 505 O PHE A 573 62.670 2.015 -1.454 1.00 0.00 O ATOM 506 CB PHE A 573 59.988 1.335 -1.708 1.00 0.00 C ATOM 507 CG PHE A 573 60.077 0.523 -0.433 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.368 0.923 0.707 1.00 0.00 C ATOM 509 CD2 PHE A 573 60.868 -0.632 -0.393 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.451 0.170 1.884 1.00 0.00 C ATOM 511 CE2 PHE A 573 60.951 -1.385 0.784 1.00 0.00 C ATOM 512 CZ PHE A 573 60.242 -0.984 1.923 1.00 0.00 C ATOM 0 H PHE A 573 60.141 3.044 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 573 59.772 3.177 -0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 573 58.970 1.308 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.633 0.900 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 573 58.757 1.813 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 573 61.415 -0.942 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 573 58.904 0.480 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.562 -2.275 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.306 -1.565 2.831 1.00 0.00 H new ATOM 522 N VAL A 574 62.238 3.795 -0.240 1.00 0.00 N ATOM 523 CA VAL A 574 63.666 3.925 0.168 1.00 0.00 C ATOM 524 C VAL A 574 63.841 3.547 1.641 1.00 0.00 C ATOM 525 O VAL A 574 62.887 3.325 2.361 1.00 0.00 O ATOM 526 CB VAL A 574 64.128 5.370 -0.046 1.00 0.00 C ATOM 527 CG1 VAL A 574 63.961 5.752 -1.521 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.288 6.314 0.822 1.00 0.00 C ATOM 0 H VAL A 574 61.611 4.504 0.142 1.00 0.00 H new ATOM 0 HA VAL A 574 64.267 3.250 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 574 65.178 5.456 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.290 6.780 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.562 5.085 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 574 62.912 5.662 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 574 63.619 7.341 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.238 6.226 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.409 6.048 1.872 1.00 0.00 H new ATOM 538 N CYS A 575 65.070 3.472 2.081 1.00 0.00 N ATOM 539 CA CYS A 575 65.354 3.109 3.498 1.00 0.00 C ATOM 540 C CYS A 575 65.125 4.318 4.402 1.00 0.00 C ATOM 541 O CYS A 575 65.611 5.400 4.135 1.00 0.00 O ATOM 542 CB CYS A 575 66.816 2.674 3.610 1.00 0.00 C ATOM 543 SG CYS A 575 67.293 2.560 5.354 1.00 0.00 S ATOM 0 H CYS A 575 65.897 3.649 1.511 1.00 0.00 H new ATOM 0 HA CYS A 575 64.691 2.300 3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 575 66.956 1.710 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.458 3.388 3.094 1.00 0.00 H new ATOM 548 N ALA A 576 64.401 4.142 5.476 1.00 0.00 N ATOM 549 CA ALA A 576 64.155 5.282 6.410 1.00 0.00 C ATOM 550 C ALA A 576 65.444 5.593 7.188 1.00 0.00 C ATOM 551 O ALA A 576 65.424 5.838 8.379 1.00 0.00 O ATOM 552 CB ALA A 576 63.037 4.909 7.387 1.00 0.00 C ATOM 0 H ALA A 576 63.969 3.259 5.747 1.00 0.00 H new ATOM 0 HA ALA A 576 63.856 6.163 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 576 62.857 5.740 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.125 4.692 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.332 4.029 7.958 1.00 0.00 H new ATOM 558 N PHE A 577 66.563 5.588 6.510 1.00 0.00 N ATOM 559 CA PHE A 577 67.867 5.885 7.173 1.00 0.00 C ATOM 560 C PHE A 577 68.766 6.596 6.166 1.00 0.00 C ATOM 561 O PHE A 577 69.149 7.735 6.350 1.00 0.00 O ATOM 562 CB PHE A 577 68.535 4.576 7.608 1.00 0.00 C ATOM 563 CG PHE A 577 69.546 4.854 8.698 1.00 0.00 C ATOM 564 CD1 PHE A 577 69.119 5.313 9.951 1.00 0.00 C ATOM 565 CD2 PHE A 577 70.910 4.649 8.456 1.00 0.00 C ATOM 566 CE1 PHE A 577 70.056 5.567 10.960 1.00 0.00 C ATOM 567 CE2 PHE A 577 71.846 4.904 9.465 1.00 0.00 C ATOM 568 CZ PHE A 577 71.420 5.363 10.717 1.00 0.00 C ATOM 0 H PHE A 577 66.628 5.388 5.512 1.00 0.00 H new ATOM 0 HA PHE A 577 67.705 6.512 8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 577 67.782 3.875 7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.026 4.107 6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 577 68.067 5.471 10.139 1.00 0.00 H new ATOM 0 HD2 PHE A 577 71.240 4.294 7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 577 69.727 5.920 11.926 1.00 0.00 H new ATOM 0 HE2 PHE A 577 72.898 4.746 9.277 1.00 0.00 H new ATOM 0 HZ PHE A 577 72.143 5.560 11.495 1.00 0.00 H new ATOM 578 N CYS A 578 69.089 5.926 5.093 1.00 0.00 N ATOM 579 CA CYS A 578 69.950 6.543 4.045 1.00 0.00 C ATOM 580 C CYS A 578 69.053 7.102 2.938 1.00 0.00 C ATOM 581 O CYS A 578 69.457 7.950 2.167 1.00 0.00 O ATOM 582 CB CYS A 578 70.890 5.483 3.465 1.00 0.00 C ATOM 583 SG CYS A 578 69.979 3.939 3.211 1.00 0.00 S ATOM 0 H CYS A 578 68.791 4.971 4.897 1.00 0.00 H new ATOM 0 HA CYS A 578 70.546 7.347 4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.308 5.830 2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 578 71.728 5.316 4.142 1.00 0.00 H new ATOM 588 N LEU A 579 67.832 6.631 2.870 1.00 0.00 N ATOM 589 CA LEU A 579 66.872 7.119 1.833 1.00 0.00 C ATOM 590 C LEU A 579 67.480 6.977 0.433 1.00 0.00 C ATOM 591 O LEU A 579 67.041 7.611 -0.508 1.00 0.00 O ATOM 592 CB LEU A 579 66.531 8.591 2.100 1.00 0.00 C ATOM 593 CG LEU A 579 65.902 8.731 3.492 1.00 0.00 C ATOM 594 CD1 LEU A 579 66.942 9.269 4.478 1.00 0.00 C ATOM 595 CD2 LEU A 579 64.718 9.700 3.424 1.00 0.00 C ATOM 0 H LEU A 579 67.456 5.920 3.497 1.00 0.00 H new ATOM 0 HA LEU A 579 65.964 6.518 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 579 67.432 9.201 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.841 8.958 1.340 1.00 0.00 H new ATOM 0 HG LEU A 579 65.556 7.754 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 579 66.491 9.367 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 579 67.784 8.579 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.292 10.245 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 579 64.272 9.799 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 579 65.065 10.675 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 579 63.973 9.316 2.727 1.00 0.00 H new ATOM 607 N LYS A 580 68.477 6.146 0.284 1.00 0.00 N ATOM 608 CA LYS A 580 69.101 5.961 -1.059 1.00 0.00 C ATOM 609 C LYS A 580 68.131 5.186 -1.957 1.00 0.00 C ATOM 610 O LYS A 580 67.802 5.608 -3.048 1.00 0.00 O ATOM 611 CB LYS A 580 70.415 5.181 -0.910 1.00 0.00 C ATOM 612 CG LYS A 580 70.139 3.796 -0.309 1.00 0.00 C ATOM 613 CD LYS A 580 71.432 3.212 0.267 1.00 0.00 C ATOM 614 CE LYS A 580 71.706 1.846 -0.367 1.00 0.00 C ATOM 615 NZ LYS A 580 72.027 2.025 -1.812 1.00 0.00 N ATOM 0 H LYS A 580 68.886 5.588 1.033 1.00 0.00 H new ATOM 0 HA LYS A 580 69.314 6.932 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 580 70.897 5.075 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.104 5.733 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.384 3.873 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.738 3.131 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.265 3.887 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.347 3.111 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.535 1.356 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.836 1.199 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.576 1.209 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.144 2.098 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 72.585 2.894 -1.939 1.00 0.00 H new ATOM 629 N GLN A 581 67.671 4.057 -1.488 1.00 0.00 N ATOM 630 CA GLN A 581 66.717 3.225 -2.270 1.00 0.00 C ATOM 631 C GLN A 581 66.405 1.985 -1.442 1.00 0.00 C ATOM 632 O GLN A 581 67.129 1.656 -0.522 1.00 0.00 O ATOM 633 CB GLN A 581 67.345 2.805 -3.605 1.00 0.00 C ATOM 634 CG GLN A 581 66.349 3.048 -4.744 1.00 0.00 C ATOM 635 CD GLN A 581 65.953 1.714 -5.377 1.00 0.00 C ATOM 636 OE1 GLN A 581 66.607 1.237 -6.282 1.00 0.00 O ATOM 637 NE2 GLN A 581 64.901 1.089 -4.932 1.00 0.00 N ATOM 0 H GLN A 581 67.923 3.671 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 581 65.811 3.792 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.259 3.371 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.624 1.752 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.464 3.558 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 581 66.794 3.700 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 581 64.353 1.491 -4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 581 64.625 0.197 -5.344 1.00 0.00 H new ATOM 646 N LEU A 582 65.340 1.296 -1.738 1.00 0.00 N ATOM 647 CA LEU A 582 65.016 0.091 -0.931 1.00 0.00 C ATOM 648 C LEU A 582 64.097 -0.850 -1.710 1.00 0.00 C ATOM 649 O LEU A 582 63.408 -0.452 -2.630 1.00 0.00 O ATOM 650 CB LEU A 582 64.334 0.531 0.368 1.00 0.00 C ATOM 651 CG LEU A 582 64.599 -0.499 1.461 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.073 -0.456 1.866 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.723 -0.186 2.677 1.00 0.00 C ATOM 0 H LEU A 582 64.689 1.511 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 582 65.937 -0.446 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.710 1.507 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.261 0.639 0.209 1.00 0.00 H new ATOM 0 HG LEU A 582 64.360 -1.494 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.257 -1.194 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.695 -0.682 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.319 0.538 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.911 -0.921 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 582 63.961 0.810 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.673 -0.224 2.388 1.00 0.00 H new ATOM 665 N ASN A 583 64.093 -2.104 -1.337 1.00 0.00 N ATOM 666 CA ASN A 583 63.234 -3.103 -2.030 1.00 0.00 C ATOM 667 C ASN A 583 62.746 -4.131 -1.005 1.00 0.00 C ATOM 668 O ASN A 583 63.532 -4.767 -0.329 1.00 0.00 O ATOM 669 CB ASN A 583 64.051 -3.804 -3.122 1.00 0.00 C ATOM 670 CG ASN A 583 63.361 -5.107 -3.534 1.00 0.00 C ATOM 671 OD1 ASN A 583 63.933 -6.173 -3.423 1.00 0.00 O ATOM 672 ND2 ASN A 583 62.145 -5.067 -4.006 1.00 0.00 N ATOM 0 H ASN A 583 64.655 -2.480 -0.573 1.00 0.00 H new ATOM 0 HA ASN A 583 62.377 -2.608 -2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 583 64.156 -3.149 -3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 583 65.056 -4.014 -2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 583 61.676 -5.930 -4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 583 61.663 -4.173 -4.100 1.00 0.00 H new ATOM 679 N LYS A 584 61.453 -4.293 -0.888 1.00 0.00 N ATOM 680 CA LYS A 584 60.889 -5.274 0.089 1.00 0.00 C ATOM 681 C LYS A 584 61.582 -6.632 -0.078 1.00 0.00 C ATOM 682 O LYS A 584 61.727 -7.387 0.864 1.00 0.00 O ATOM 683 CB LYS A 584 59.384 -5.422 -0.177 1.00 0.00 C ATOM 684 CG LYS A 584 58.830 -6.673 0.520 1.00 0.00 C ATOM 685 CD LYS A 584 58.936 -6.516 2.040 1.00 0.00 C ATOM 686 CE LYS A 584 58.165 -5.270 2.490 1.00 0.00 C ATOM 687 NZ LYS A 584 57.488 -5.543 3.790 1.00 0.00 N ATOM 0 H LYS A 584 60.757 -3.783 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 584 61.053 -4.920 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.858 -4.537 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 584 59.204 -5.488 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.790 -6.828 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 584 59.384 -7.554 0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.535 -7.401 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.982 -6.433 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 584 58.847 -4.426 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.428 -4.994 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.484 -5.281 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 57.567 -6.555 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 57.940 -4.984 4.541 1.00 0.00 H new ATOM 701 N GLY A 585 61.999 -6.945 -1.274 1.00 0.00 N ATOM 702 CA GLY A 585 62.672 -8.253 -1.529 1.00 0.00 C ATOM 703 C GLY A 585 63.915 -8.413 -0.649 1.00 0.00 C ATOM 704 O GLY A 585 64.314 -9.519 -0.339 1.00 0.00 O ATOM 0 H GLY A 585 61.902 -6.346 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 585 61.976 -9.068 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.955 -8.322 -2.579 1.00 0.00 H new ATOM 708 N THR A 586 64.543 -7.334 -0.252 1.00 0.00 N ATOM 709 CA THR A 586 65.770 -7.465 0.594 1.00 0.00 C ATOM 710 C THR A 586 65.855 -6.321 1.609 1.00 0.00 C ATOM 711 O THR A 586 66.934 -5.883 1.964 1.00 0.00 O ATOM 712 CB THR A 586 67.011 -7.434 -0.307 1.00 0.00 C ATOM 713 OG1 THR A 586 67.053 -6.199 -1.008 1.00 0.00 O ATOM 714 CG2 THR A 586 66.951 -8.589 -1.310 1.00 0.00 C ATOM 0 H THR A 586 64.264 -6.378 -0.474 1.00 0.00 H new ATOM 0 HA THR A 586 65.721 -8.410 1.136 1.00 0.00 H new ATOM 0 HB THR A 586 67.906 -7.537 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 586 67.846 -6.176 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 586 67.834 -8.563 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 586 66.919 -9.537 -0.772 1.00 0.00 H new ATOM 0 HG23 THR A 586 66.056 -8.491 -1.925 1.00 0.00 H new ATOM 722 N PHE A 587 64.741 -5.839 2.095 1.00 0.00 N ATOM 723 CA PHE A 587 64.795 -4.734 3.097 1.00 0.00 C ATOM 724 C PHE A 587 64.543 -5.295 4.496 1.00 0.00 C ATOM 725 O PHE A 587 64.288 -6.468 4.680 1.00 0.00 O ATOM 726 CB PHE A 587 63.733 -3.662 2.777 1.00 0.00 C ATOM 727 CG PHE A 587 62.509 -3.846 3.656 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.819 -5.066 3.659 1.00 0.00 C ATOM 729 CD2 PHE A 587 62.070 -2.796 4.473 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.696 -5.234 4.477 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.946 -2.964 5.289 1.00 0.00 C ATOM 732 CZ PHE A 587 60.259 -4.183 5.291 1.00 0.00 C ATOM 0 H PHE A 587 63.805 -6.159 1.845 1.00 0.00 H new ATOM 0 HA PHE A 587 65.783 -4.276 3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.153 -2.668 2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.447 -3.727 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 587 62.154 -5.877 3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.600 -1.855 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 587 60.166 -6.175 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.609 -2.153 5.917 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.391 -4.313 5.921 1.00 0.00 H new ATOM 742 N LYS A 588 64.591 -4.435 5.467 1.00 0.00 N ATOM 743 CA LYS A 588 64.334 -4.832 6.875 1.00 0.00 C ATOM 744 C LYS A 588 63.593 -3.671 7.536 1.00 0.00 C ATOM 745 O LYS A 588 63.545 -2.585 6.996 1.00 0.00 O ATOM 746 CB LYS A 588 65.665 -5.077 7.597 1.00 0.00 C ATOM 747 CG LYS A 588 66.200 -6.475 7.266 1.00 0.00 C ATOM 748 CD LYS A 588 65.365 -7.538 7.992 1.00 0.00 C ATOM 749 CE LYS A 588 64.596 -8.378 6.971 1.00 0.00 C ATOM 750 NZ LYS A 588 63.967 -9.541 7.659 1.00 0.00 N ATOM 0 H LYS A 588 64.804 -3.445 5.341 1.00 0.00 H new ATOM 0 HA LYS A 588 63.747 -5.749 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 588 66.392 -4.322 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 588 65.526 -4.979 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 588 66.163 -6.643 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 588 67.245 -6.554 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 588 66.014 -8.179 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.669 -7.059 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 588 63.831 -7.771 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 588 65.270 -8.726 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 63.444 -10.113 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 64.706 -10.124 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 63.312 -9.199 8.390 1.00 0.00 H new ATOM 764 N GLU A 589 63.012 -3.870 8.685 1.00 0.00 N ATOM 765 CA GLU A 589 62.284 -2.743 9.332 1.00 0.00 C ATOM 766 C GLU A 589 62.606 -2.692 10.824 1.00 0.00 C ATOM 767 O GLU A 589 62.874 -3.696 11.457 1.00 0.00 O ATOM 768 CB GLU A 589 60.772 -2.906 9.125 1.00 0.00 C ATOM 769 CG GLU A 589 60.164 -3.730 10.263 1.00 0.00 C ATOM 770 CD GLU A 589 58.776 -4.226 9.850 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.802 -3.647 10.305 1.00 0.00 O ATOM 772 OE2 GLU A 589 58.710 -5.173 9.084 1.00 0.00 O ATOM 0 H GLU A 589 63.008 -4.751 9.199 1.00 0.00 H new ATOM 0 HA GLU A 589 62.606 -1.808 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 589 60.296 -1.926 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.580 -3.395 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.809 -4.577 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 589 60.091 -3.124 11.166 1.00 0.00 H new ATOM 779 N GLN A 590 62.572 -1.516 11.378 1.00 0.00 N ATOM 780 CA GLN A 590 62.859 -1.340 12.823 1.00 0.00 C ATOM 781 C GLN A 590 62.126 -0.090 13.301 1.00 0.00 C ATOM 782 O GLN A 590 61.942 0.846 12.553 1.00 0.00 O ATOM 783 CB GLN A 590 64.366 -1.158 13.025 1.00 0.00 C ATOM 784 CG GLN A 590 64.713 -1.307 14.509 1.00 0.00 C ATOM 785 CD GLN A 590 64.636 -2.780 14.914 1.00 0.00 C ATOM 786 OE1 GLN A 590 64.190 -3.103 15.997 1.00 0.00 O ATOM 787 NE2 GLN A 590 65.055 -3.694 14.085 1.00 0.00 N ATOM 0 H GLN A 590 62.353 -0.653 10.880 1.00 0.00 H new ATOM 0 HA GLN A 590 62.529 -2.213 13.386 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.912 -1.897 12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.674 -0.176 12.667 1.00 0.00 H new ATOM 0 HG2 GLN A 590 65.714 -0.920 14.698 1.00 0.00 H new ATOM 0 HG3 GLN A 590 64.024 -0.718 15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 590 65.430 -3.424 13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 590 65.008 -4.679 14.346 1.00 0.00 H new ATOM 796 N ASN A 591 61.705 -0.063 14.533 1.00 0.00 N ATOM 797 CA ASN A 591 60.985 1.137 15.053 1.00 0.00 C ATOM 798 C ASN A 591 59.782 1.474 14.155 1.00 0.00 C ATOM 799 O ASN A 591 59.274 2.578 14.185 1.00 0.00 O ATOM 800 CB ASN A 591 61.948 2.328 15.091 1.00 0.00 C ATOM 801 CG ASN A 591 62.911 2.174 16.269 1.00 0.00 C ATOM 802 OD1 ASN A 591 62.498 2.165 17.412 1.00 0.00 O ATOM 803 ND2 ASN A 591 64.189 2.052 16.037 1.00 0.00 N ATOM 0 H ASN A 591 61.827 -0.820 15.206 1.00 0.00 H new ATOM 0 HA ASN A 591 60.621 0.924 16.058 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.507 2.386 14.157 1.00 0.00 H new ATOM 0 HB3 ASN A 591 61.388 3.258 15.186 1.00 0.00 H new ATOM 0 HD21 ASN A 591 64.841 1.949 16.815 1.00 0.00 H new ATOM 0 HD22 ASN A 591 64.536 2.059 15.078 1.00 0.00 H new ATOM 810 N ASP A 592 59.321 0.526 13.370 1.00 0.00 N ATOM 811 CA ASP A 592 58.139 0.768 12.476 1.00 0.00 C ATOM 812 C ASP A 592 58.554 1.525 11.206 1.00 0.00 C ATOM 813 O ASP A 592 57.773 2.266 10.638 1.00 0.00 O ATOM 814 CB ASP A 592 57.074 1.581 13.224 1.00 0.00 C ATOM 815 CG ASP A 592 55.678 1.123 12.794 1.00 0.00 C ATOM 816 OD1 ASP A 592 55.147 0.231 13.435 1.00 0.00 O ATOM 817 OD2 ASP A 592 55.164 1.672 11.833 1.00 0.00 O ATOM 0 H ASP A 592 59.716 -0.412 13.310 1.00 0.00 H new ATOM 0 HA ASP A 592 57.730 -0.201 12.188 1.00 0.00 H new ATOM 0 HB2 ASP A 592 57.194 1.453 14.300 1.00 0.00 H new ATOM 0 HB3 ASP A 592 57.199 2.643 13.014 1.00 0.00 H new ATOM 822 N LYS A 593 59.762 1.341 10.743 1.00 0.00 N ATOM 823 CA LYS A 593 60.198 2.046 9.499 1.00 0.00 C ATOM 824 C LYS A 593 61.133 1.128 8.701 1.00 0.00 C ATOM 825 O LYS A 593 61.737 0.229 9.250 1.00 0.00 O ATOM 826 CB LYS A 593 60.917 3.363 9.841 1.00 0.00 C ATOM 827 CG LYS A 593 61.116 3.505 11.355 1.00 0.00 C ATOM 828 CD LYS A 593 61.482 4.956 11.683 1.00 0.00 C ATOM 829 CE LYS A 593 61.691 5.105 13.191 1.00 0.00 C ATOM 830 NZ LYS A 593 61.860 6.547 13.527 1.00 0.00 N ATOM 0 H LYS A 593 60.464 0.736 11.169 1.00 0.00 H new ATOM 0 HA LYS A 593 59.319 2.286 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 593 61.884 3.394 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.336 4.206 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.205 3.220 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.904 2.833 11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.389 5.242 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 593 60.690 5.626 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.838 4.692 13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 593 62.570 4.542 13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 62.002 6.650 14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 62.687 6.926 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 61.009 7.072 13.241 1.00 0.00 H new ATOM 844 N PRO A 594 61.235 1.341 7.407 1.00 0.00 N ATOM 845 CA PRO A 594 62.097 0.492 6.531 1.00 0.00 C ATOM 846 C PRO A 594 63.590 0.711 6.749 1.00 0.00 C ATOM 847 O PRO A 594 64.028 1.761 7.177 1.00 0.00 O ATOM 848 CB PRO A 594 61.703 0.970 5.140 1.00 0.00 C ATOM 849 CG PRO A 594 61.079 2.353 5.297 1.00 0.00 C ATOM 850 CD PRO A 594 60.506 2.440 6.716 1.00 0.00 C ATOM 0 HA PRO A 594 61.948 -0.571 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.575 1.013 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 594 60.996 0.279 4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 594 61.825 3.131 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.294 2.506 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.697 3.410 7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.427 2.288 6.731 1.00 0.00 H new ATOM 858 N TYR A 595 64.360 -0.286 6.432 1.00 0.00 N ATOM 859 CA TYR A 595 65.837 -0.206 6.582 1.00 0.00 C ATOM 860 C TYR A 595 66.453 -1.292 5.704 1.00 0.00 C ATOM 861 O TYR A 595 66.125 -2.453 5.840 1.00 0.00 O ATOM 862 CB TYR A 595 66.226 -0.470 8.042 1.00 0.00 C ATOM 863 CG TYR A 595 65.808 0.694 8.908 1.00 0.00 C ATOM 864 CD1 TYR A 595 66.552 1.878 8.898 1.00 0.00 C ATOM 865 CD2 TYR A 595 64.674 0.589 9.720 1.00 0.00 C ATOM 866 CE1 TYR A 595 66.161 2.958 9.699 1.00 0.00 C ATOM 867 CE2 TYR A 595 64.284 1.668 10.520 1.00 0.00 C ATOM 868 CZ TYR A 595 65.027 2.852 10.509 1.00 0.00 C ATOM 869 OH TYR A 595 64.641 3.917 11.297 1.00 0.00 O ATOM 0 H TYR A 595 64.020 -1.175 6.066 1.00 0.00 H new ATOM 0 HA TYR A 595 66.192 0.783 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.749 -1.385 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.303 -0.622 8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.428 1.959 8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 595 64.099 -0.325 9.729 1.00 0.00 H new ATOM 0 HE1 TYR A 595 66.736 3.872 9.691 1.00 0.00 H new ATOM 0 HE2 TYR A 595 63.408 1.586 11.147 1.00 0.00 H new ATOM 0 HH TYR A 595 64.909 4.756 10.867 1.00 0.00 H new ATOM 879 N CYS A 596 67.337 -0.943 4.806 1.00 0.00 N ATOM 880 CA CYS A 596 67.949 -1.992 3.941 1.00 0.00 C ATOM 881 C CYS A 596 68.500 -3.094 4.837 1.00 0.00 C ATOM 882 O CYS A 596 68.995 -2.835 5.915 1.00 0.00 O ATOM 883 CB CYS A 596 69.093 -1.404 3.106 1.00 0.00 C ATOM 884 SG CYS A 596 68.820 0.363 2.834 1.00 0.00 S ATOM 0 H CYS A 596 67.658 0.010 4.636 1.00 0.00 H new ATOM 0 HA CYS A 596 67.192 -2.387 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 596 70.043 -1.559 3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.158 -1.921 2.149 1.00 0.00 H new ATOM 889 N GLN A 597 68.421 -4.319 4.404 1.00 0.00 N ATOM 890 CA GLN A 597 68.951 -5.434 5.234 1.00 0.00 C ATOM 891 C GLN A 597 70.372 -5.068 5.666 1.00 0.00 C ATOM 892 O GLN A 597 70.780 -5.326 6.780 1.00 0.00 O ATOM 893 CB GLN A 597 68.935 -6.716 4.393 1.00 0.00 C ATOM 894 CG GLN A 597 70.221 -7.533 4.593 1.00 0.00 C ATOM 895 CD GLN A 597 70.340 -7.995 6.052 1.00 0.00 C ATOM 896 OE1 GLN A 597 71.388 -8.441 6.473 1.00 0.00 O ATOM 897 NE2 GLN A 597 69.307 -7.908 6.844 1.00 0.00 N ATOM 0 H GLN A 597 68.013 -4.597 3.512 1.00 0.00 H new ATOM 0 HA GLN A 597 68.344 -5.599 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 597 68.071 -7.322 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.825 -6.460 3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 597 70.216 -8.398 3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 597 71.088 -6.930 4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 597 68.425 -7.534 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 597 69.381 -8.214 7.814 1.00 0.00 H new ATOM 906 N ASN A 598 71.109 -4.432 4.795 1.00 0.00 N ATOM 907 CA ASN A 598 72.490 -4.004 5.147 1.00 0.00 C ATOM 908 C ASN A 598 72.394 -2.948 6.248 1.00 0.00 C ATOM 909 O ASN A 598 73.166 -2.940 7.185 1.00 0.00 O ATOM 910 CB ASN A 598 73.182 -3.432 3.900 1.00 0.00 C ATOM 911 CG ASN A 598 73.065 -1.905 3.872 1.00 0.00 C ATOM 912 OD1 ASN A 598 72.345 -1.352 3.065 1.00 0.00 O ATOM 913 ND2 ASN A 598 73.750 -1.200 4.727 1.00 0.00 N ATOM 0 H ASN A 598 70.810 -4.190 3.850 1.00 0.00 H new ATOM 0 HA ASN A 598 73.079 -4.849 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 598 74.233 -3.722 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.731 -3.853 3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 598 73.682 -0.182 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 598 74.354 -1.666 5.404 1.00 0.00 H new ATOM 920 N CYS A 599 71.426 -2.073 6.146 1.00 0.00 N ATOM 921 CA CYS A 599 71.242 -1.028 7.192 1.00 0.00 C ATOM 922 C CYS A 599 70.807 -1.727 8.477 1.00 0.00 C ATOM 923 O CYS A 599 71.488 -1.671 9.473 1.00 0.00 O ATOM 924 CB CYS A 599 70.160 -0.033 6.758 1.00 0.00 C ATOM 925 SG CYS A 599 70.903 1.292 5.772 1.00 0.00 S ATOM 0 H CYS A 599 70.754 -2.039 5.379 1.00 0.00 H new ATOM 0 HA CYS A 599 72.172 -0.481 7.346 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.394 -0.546 6.176 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.667 0.387 7.635 1.00 0.00 H new ATOM 930 N PHE A 600 69.691 -2.415 8.445 1.00 0.00 N ATOM 931 CA PHE A 600 69.218 -3.157 9.655 1.00 0.00 C ATOM 932 C PHE A 600 70.392 -3.963 10.206 1.00 0.00 C ATOM 933 O PHE A 600 70.673 -3.957 11.387 1.00 0.00 O ATOM 934 CB PHE A 600 68.083 -4.097 9.235 1.00 0.00 C ATOM 935 CG PHE A 600 67.803 -5.118 10.316 1.00 0.00 C ATOM 936 CD1 PHE A 600 66.771 -4.899 11.238 1.00 0.00 C ATOM 937 CD2 PHE A 600 68.566 -6.291 10.387 1.00 0.00 C ATOM 938 CE1 PHE A 600 66.504 -5.851 12.229 1.00 0.00 C ATOM 939 CE2 PHE A 600 68.300 -7.241 11.380 1.00 0.00 C ATOM 940 CZ PHE A 600 67.269 -7.021 12.300 1.00 0.00 C ATOM 0 H PHE A 600 69.085 -2.494 7.628 1.00 0.00 H new ATOM 0 HA PHE A 600 68.853 -2.473 10.421 1.00 0.00 H new ATOM 0 HB2 PHE A 600 67.182 -3.518 9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 600 68.350 -4.606 8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 600 66.181 -3.996 11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 600 69.360 -6.462 9.675 1.00 0.00 H new ATOM 0 HE1 PHE A 600 65.708 -5.683 12.939 1.00 0.00 H new ATOM 0 HE2 PHE A 600 68.890 -8.144 11.436 1.00 0.00 H new ATOM 0 HZ PHE A 600 67.063 -7.755 13.066 1.00 0.00 H new ATOM 950 N LEU A 601 71.094 -4.629 9.335 1.00 0.00 N ATOM 951 CA LEU A 601 72.283 -5.418 9.753 1.00 0.00 C ATOM 952 C LEU A 601 73.283 -4.462 10.413 1.00 0.00 C ATOM 953 O LEU A 601 74.082 -4.845 11.242 1.00 0.00 O ATOM 954 CB LEU A 601 72.891 -6.043 8.496 1.00 0.00 C ATOM 955 CG LEU A 601 74.188 -6.779 8.829 1.00 0.00 C ATOM 956 CD1 LEU A 601 73.859 -8.126 9.478 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.967 -7.009 7.533 1.00 0.00 C ATOM 0 H LEU A 601 70.891 -4.660 8.336 1.00 0.00 H new ATOM 0 HA LEU A 601 72.019 -6.204 10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 601 72.179 -6.736 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 601 73.088 -5.266 7.757 1.00 0.00 H new ATOM 0 HG LEU A 601 74.786 -6.187 9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 601 74.784 -8.651 9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 601 73.291 -7.960 10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 601 73.267 -8.728 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.896 -7.534 7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 601 74.366 -7.608 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 601 75.195 -6.049 7.070 1.00 0.00 H new ATOM 969 N LYS A 602 73.221 -3.213 10.041 1.00 0.00 N ATOM 970 CA LYS A 602 74.131 -2.181 10.613 1.00 0.00 C ATOM 971 C LYS A 602 73.499 -1.568 11.870 1.00 0.00 C ATOM 972 O LYS A 602 74.177 -1.263 12.830 1.00 0.00 O ATOM 973 CB LYS A 602 74.332 -1.076 9.571 1.00 0.00 C ATOM 974 CG LYS A 602 75.796 -0.644 9.541 1.00 0.00 C ATOM 975 CD LYS A 602 76.639 -1.702 8.817 1.00 0.00 C ATOM 976 CE LYS A 602 76.424 -1.588 7.305 1.00 0.00 C ATOM 977 NZ LYS A 602 77.613 -2.137 6.592 1.00 0.00 N ATOM 0 H LYS A 602 72.562 -2.857 9.348 1.00 0.00 H new ATOM 0 HA LYS A 602 75.085 -2.639 10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 602 74.030 -1.434 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.697 -0.222 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.890 0.317 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 602 76.164 -0.506 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.694 -1.566 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 602 76.361 -2.699 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.527 -2.133 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.269 -0.546 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.468 -2.060 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.460 -1.598 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.741 -3.136 6.850 1.00 0.00 H new ATOM 991 N LEU A 603 72.206 -1.366 11.858 1.00 0.00 N ATOM 992 CA LEU A 603 71.527 -0.756 13.038 1.00 0.00 C ATOM 993 C LEU A 603 71.211 -1.839 14.070 1.00 0.00 C ATOM 994 O LEU A 603 71.587 -1.745 15.222 1.00 0.00 O ATOM 995 CB LEU A 603 70.212 -0.091 12.602 1.00 0.00 C ATOM 996 CG LEU A 603 70.353 0.547 11.214 1.00 0.00 C ATOM 997 CD1 LEU A 603 69.078 1.327 10.885 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.550 1.503 11.187 1.00 0.00 C ATOM 0 H LEU A 603 71.590 -1.599 11.079 1.00 0.00 H new ATOM 0 HA LEU A 603 72.190 -0.009 13.474 1.00 0.00 H new ATOM 0 HB2 LEU A 603 69.413 -0.832 12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.926 0.670 13.329 1.00 0.00 H new ATOM 0 HG LEU A 603 70.511 -0.240 10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 603 69.174 1.782 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 603 68.225 0.649 10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.926 2.107 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.638 1.948 10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.404 2.290 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 603 72.461 0.952 11.419 1.00 0.00 H new ATOM 1010 N PHE A 604 70.508 -2.859 13.662 1.00 0.00 N ATOM 1011 CA PHE A 604 70.140 -3.953 14.605 1.00 0.00 C ATOM 1012 C PHE A 604 71.367 -4.811 14.921 1.00 0.00 C ATOM 1013 O PHE A 604 71.396 -5.522 15.906 1.00 0.00 O ATOM 1014 CB PHE A 604 69.061 -4.828 13.964 1.00 0.00 C ATOM 1015 CG PHE A 604 68.284 -5.545 15.044 1.00 0.00 C ATOM 1016 CD1 PHE A 604 67.315 -4.856 15.783 1.00 0.00 C ATOM 1017 CD2 PHE A 604 68.532 -6.898 15.305 1.00 0.00 C ATOM 1018 CE1 PHE A 604 66.594 -5.519 16.782 1.00 0.00 C ATOM 1019 CE2 PHE A 604 67.811 -7.561 16.305 1.00 0.00 C ATOM 1020 CZ PHE A 604 66.842 -6.872 17.043 1.00 0.00 C ATOM 0 H PHE A 604 70.170 -2.983 12.708 1.00 0.00 H new ATOM 0 HA PHE A 604 69.764 -3.517 15.530 1.00 0.00 H new ATOM 0 HB2 PHE A 604 68.389 -4.214 13.365 1.00 0.00 H new ATOM 0 HB3 PHE A 604 69.518 -5.552 13.289 1.00 0.00 H new ATOM 0 HD1 PHE A 604 67.124 -3.812 15.582 1.00 0.00 H new ATOM 0 HD2 PHE A 604 69.279 -7.430 14.735 1.00 0.00 H new ATOM 0 HE1 PHE A 604 65.846 -4.987 17.352 1.00 0.00 H new ATOM 0 HE2 PHE A 604 68.003 -8.604 16.507 1.00 0.00 H new ATOM 0 HZ PHE A 604 66.285 -7.384 17.814 1.00 0.00 H new ATOM 1030 N CYS A 605 72.375 -4.755 14.092 1.00 0.00 N ATOM 1031 CA CYS A 605 73.596 -5.577 14.348 1.00 0.00 C ATOM 1032 C CYS A 605 74.845 -4.803 13.903 1.00 0.00 C ATOM 1033 O CYS A 605 74.806 -3.586 13.941 1.00 0.00 O ATOM 1034 CB CYS A 605 73.488 -6.895 13.572 1.00 0.00 C ATOM 1035 SG CYS A 605 74.464 -8.170 14.408 1.00 0.00 S ATOM 1036 OXT CYS A 605 75.822 -5.440 13.540 1.00 0.00 O ATOM 0 H CYS A 605 72.407 -4.178 13.251 1.00 0.00 H new ATOM 0 HA CYS A 605 73.678 -5.792 15.414 1.00 0.00 H new ATOM 0 HB2 CYS A 605 72.445 -7.206 13.505 1.00 0.00 H new ATOM 0 HB3 CYS A 605 73.846 -6.759 12.551 1.00 0.00 H new ATOM 0 HG CYS A 605 74.371 -9.288 13.751 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 55.758 7.304 -5.322 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.284 2.050 4.323 1.00 0.00 ZN