USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 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= -4.44! K(o=-4.4!,f=-0.92) USER MOD Set 1.2: A 602 LYS NZ :NH3+ 159:sc= 0 (180deg=0) USER MOD Set 2.1: A 583 ASN : amide:sc= 0.0585 K(o=1,f=1.6) USER MOD Set 2.2: A 586 THR OG1 : rot 180:sc= 0.959 USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -1.03 K(o=-1,f=-5.2!) USER MOD Single : A 547 SER OG : rot 47:sc= -0.0131 USER MOD Single : A 550 SER OG : rot 71:sc= -0.551 USER MOD Single : A 553 GLN : amide:sc= -3.02! C(o=-3!,f=-9.4!) USER MOD Single : A 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 THR OG1 : rot 40:sc= 0.439 USER MOD Single : A 560 CYS SG : rot 25:sc= 0.626 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl -176:sc= -0.239 (180deg=-0.304) USER MOD Single : A 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 LYS NZ :NH3+ -103:sc= -0.167 (180deg=-2.43!) USER MOD Single : A 580 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0184) USER MOD Single : A 581 GLN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 584 LYS NZ :NH3+ -117:sc= 0.956 (180deg=-1.2) USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN : amide:sc= -2.72 K(o=-2.7,f=-0.55) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 593 LYS NZ :NH3+ 150:sc= 0.873 (180deg=-1.89!) USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 GLN : amide:sc= -4.21! C(o=-4.2!,f=-1.9!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0274 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 41.495 0.996 -15.907 1.00 0.00 N ATOM 2 CA TYR A 541 41.806 2.416 -16.238 1.00 0.00 C ATOM 3 C TYR A 541 40.742 3.328 -15.619 1.00 0.00 C ATOM 4 O TYR A 541 39.648 2.897 -15.313 1.00 0.00 O ATOM 5 CB TYR A 541 41.814 2.593 -17.761 1.00 0.00 C ATOM 6 CG TYR A 541 42.133 4.031 -18.105 1.00 0.00 C ATOM 7 CD1 TYR A 541 41.117 4.888 -18.546 1.00 0.00 C ATOM 8 CD2 TYR A 541 43.444 4.508 -17.979 1.00 0.00 C ATOM 9 CE1 TYR A 541 41.412 6.219 -18.862 1.00 0.00 C ATOM 10 CE2 TYR A 541 43.738 5.839 -18.295 1.00 0.00 C ATOM 11 CZ TYR A 541 42.722 6.695 -18.737 1.00 0.00 C ATOM 12 OH TYR A 541 43.012 8.007 -19.048 1.00 0.00 O ATOM 0 HA TYR A 541 42.785 2.680 -15.838 1.00 0.00 H new ATOM 0 HB2 TYR A 541 42.553 1.929 -18.210 1.00 0.00 H new ATOM 0 HB3 TYR A 541 40.844 2.317 -18.174 1.00 0.00 H new ATOM 0 HD1 TYR A 541 40.106 4.522 -18.642 1.00 0.00 H new ATOM 0 HD2 TYR A 541 44.228 3.848 -17.638 1.00 0.00 H new ATOM 0 HE1 TYR A 541 40.628 6.879 -19.203 1.00 0.00 H new ATOM 0 HE2 TYR A 541 44.749 6.206 -18.198 1.00 0.00 H new ATOM 0 HH TYR A 541 43.967 8.174 -18.905 1.00 0.00 H new ATOM 22 N HIS A 542 41.061 4.588 -15.439 1.00 0.00 N ATOM 23 CA HIS A 542 40.085 5.551 -14.845 1.00 0.00 C ATOM 24 C HIS A 542 39.591 5.026 -13.491 1.00 0.00 C ATOM 25 O HIS A 542 40.176 5.302 -12.462 1.00 0.00 O ATOM 26 CB HIS A 542 38.904 5.739 -15.807 1.00 0.00 C ATOM 27 CG HIS A 542 37.986 6.809 -15.279 1.00 0.00 C ATOM 28 ND1 HIS A 542 37.079 6.569 -14.260 1.00 0.00 N ATOM 29 CD2 HIS A 542 37.827 8.130 -15.619 1.00 0.00 C ATOM 30 CE1 HIS A 542 36.420 7.718 -14.024 1.00 0.00 C ATOM 31 NE2 HIS A 542 36.837 8.702 -14.826 1.00 0.00 N ATOM 0 H HIS A 542 41.966 4.992 -15.681 1.00 0.00 H new ATOM 0 HA HIS A 542 40.573 6.513 -14.687 1.00 0.00 H new ATOM 0 HB2 HIS A 542 39.269 6.015 -16.797 1.00 0.00 H new ATOM 0 HB3 HIS A 542 38.360 4.801 -15.918 1.00 0.00 H new ATOM 0 HD2 HIS A 542 38.386 8.647 -16.386 1.00 0.00 H new ATOM 0 HE1 HIS A 542 35.648 7.831 -13.277 1.00 0.00 H new ATOM 0 HE2 HIS A 542 36.502 9.665 -14.851 1.00 0.00 H new ATOM 39 N GLU A 543 38.523 4.272 -13.484 1.00 0.00 N ATOM 40 CA GLU A 543 37.992 3.728 -12.201 1.00 0.00 C ATOM 41 C GLU A 543 39.051 2.835 -11.548 1.00 0.00 C ATOM 42 O GLU A 543 39.210 2.826 -10.343 1.00 0.00 O ATOM 43 CB GLU A 543 36.731 2.905 -12.478 1.00 0.00 C ATOM 44 CG GLU A 543 35.692 3.779 -13.188 1.00 0.00 C ATOM 45 CD GLU A 543 34.345 3.054 -13.209 1.00 0.00 C ATOM 46 OE1 GLU A 543 33.578 3.243 -12.280 1.00 0.00 O ATOM 47 OE2 GLU A 543 34.105 2.320 -14.153 1.00 0.00 O ATOM 0 H GLU A 543 37.994 4.009 -14.316 1.00 0.00 H new ATOM 0 HA GLU A 543 37.748 4.552 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 543 36.977 2.041 -13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 543 36.321 2.523 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 543 35.594 4.736 -12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 543 36.017 3.995 -14.206 1.00 0.00 H new ATOM 54 N ARG A 544 39.776 2.089 -12.338 1.00 0.00 N ATOM 55 CA ARG A 544 40.830 1.198 -11.772 1.00 0.00 C ATOM 56 C ARG A 544 42.101 2.012 -11.522 1.00 0.00 C ATOM 57 O ARG A 544 42.724 2.505 -12.443 1.00 0.00 O ATOM 58 CB ARG A 544 41.134 0.068 -12.760 1.00 0.00 C ATOM 59 CG ARG A 544 41.735 -1.124 -12.006 1.00 0.00 C ATOM 60 CD ARG A 544 43.190 -0.822 -11.631 1.00 0.00 C ATOM 61 NE ARG A 544 43.954 -2.101 -11.538 1.00 0.00 N ATOM 62 CZ ARG A 544 45.260 -2.089 -11.504 1.00 0.00 C ATOM 63 NH1 ARG A 544 45.918 -3.213 -11.433 1.00 0.00 N ATOM 64 NH2 ARG A 544 45.910 -0.958 -11.535 1.00 0.00 N ATOM 0 H ARG A 544 39.683 2.058 -13.353 1.00 0.00 H new ATOM 0 HA ARG A 544 40.478 0.771 -10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 544 40.222 -0.236 -13.273 1.00 0.00 H new ATOM 0 HB3 ARG A 544 41.829 0.416 -13.524 1.00 0.00 H new ATOM 0 HG2 ARG A 544 41.153 -1.328 -11.107 1.00 0.00 H new ATOM 0 HG3 ARG A 544 41.688 -2.019 -12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 544 43.642 -0.169 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 544 43.229 -0.292 -10.679 1.00 0.00 H new ATOM 0 HE ARG A 544 43.454 -2.989 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 544 45.413 -4.099 -11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 544 46.938 -3.206 -11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 544 45.398 -0.077 -11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 544 46.930 -0.955 -11.508 1.00 0.00 H new ATOM 78 N ARG A 545 42.490 2.153 -10.282 1.00 0.00 N ATOM 79 CA ARG A 545 43.723 2.932 -9.963 1.00 0.00 C ATOM 80 C ARG A 545 44.893 1.971 -9.788 1.00 0.00 C ATOM 81 O ARG A 545 45.808 1.938 -10.588 1.00 0.00 O ATOM 82 CB ARG A 545 43.517 3.713 -8.664 1.00 0.00 C ATOM 83 CG ARG A 545 42.241 4.548 -8.769 1.00 0.00 C ATOM 84 CD ARG A 545 41.143 3.920 -7.909 1.00 0.00 C ATOM 85 NE ARG A 545 41.080 4.622 -6.593 1.00 0.00 N ATOM 86 CZ ARG A 545 40.048 4.460 -5.808 1.00 0.00 C ATOM 87 NH1 ARG A 545 40.000 5.082 -4.663 1.00 0.00 N ATOM 88 NH2 ARG A 545 39.066 3.678 -6.164 1.00 0.00 N ATOM 0 H ARG A 545 42.006 1.761 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 545 43.932 3.627 -10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 545 43.446 3.026 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 545 44.374 4.360 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 545 42.435 5.569 -8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 545 41.916 4.604 -9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 545 40.182 3.992 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 545 41.346 2.860 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 545 41.846 5.231 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 545 40.767 5.693 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 545 39.196 4.957 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 545 39.102 3.190 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 545 38.263 3.555 -5.547 1.00 0.00 H new ATOM 102 N GLY A 546 44.869 1.189 -8.742 1.00 0.00 N ATOM 103 CA GLY A 546 45.978 0.229 -8.501 1.00 0.00 C ATOM 104 C GLY A 546 46.442 0.336 -7.048 1.00 0.00 C ATOM 105 O GLY A 546 45.905 -0.303 -6.164 1.00 0.00 O ATOM 0 H GLY A 546 44.126 1.176 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 546 45.646 -0.787 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 546 46.808 0.440 -9.175 1.00 0.00 H new ATOM 109 N SER A 547 47.436 1.145 -6.798 1.00 0.00 N ATOM 110 CA SER A 547 47.948 1.312 -5.407 1.00 0.00 C ATOM 111 C SER A 547 48.807 2.574 -5.346 1.00 0.00 C ATOM 112 O SER A 547 49.787 2.698 -6.053 1.00 0.00 O ATOM 113 CB SER A 547 48.795 0.095 -5.021 1.00 0.00 C ATOM 114 OG SER A 547 48.096 -0.674 -4.051 1.00 0.00 O ATOM 0 H SER A 547 47.919 1.702 -7.503 1.00 0.00 H new ATOM 0 HA SER A 547 47.112 1.399 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.003 -0.512 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 547 49.756 0.418 -4.622 1.00 0.00 H new ATOM 0 HG SER A 547 47.169 -0.802 -4.341 1.00 0.00 H new ATOM 120 N LEU A 548 48.445 3.519 -4.520 1.00 0.00 N ATOM 121 CA LEU A 548 49.240 4.776 -4.433 1.00 0.00 C ATOM 122 C LEU A 548 50.591 4.496 -3.777 1.00 0.00 C ATOM 123 O LEU A 548 50.684 3.782 -2.799 1.00 0.00 O ATOM 124 CB LEU A 548 48.482 5.815 -3.601 1.00 0.00 C ATOM 125 CG LEU A 548 47.520 6.601 -4.501 1.00 0.00 C ATOM 126 CD1 LEU A 548 46.584 5.637 -5.235 1.00 0.00 C ATOM 127 CD2 LEU A 548 46.691 7.562 -3.644 1.00 0.00 C ATOM 0 H LEU A 548 47.634 3.474 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 548 49.399 5.160 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 548 47.927 5.321 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 548 49.186 6.496 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 548 48.097 7.166 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 548 45.904 6.204 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 548 47.172 4.955 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.008 5.065 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 548 46.007 8.121 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 548 46.120 6.994 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 548 47.356 8.256 -3.129 1.00 0.00 H new ATOM 139 N CYS A 549 51.634 5.076 -4.303 1.00 0.00 N ATOM 140 CA CYS A 549 52.983 4.876 -3.714 1.00 0.00 C ATOM 141 C CYS A 549 53.106 5.799 -2.515 1.00 0.00 C ATOM 142 O CYS A 549 53.147 7.004 -2.660 1.00 0.00 O ATOM 143 CB CYS A 549 54.053 5.230 -4.754 1.00 0.00 C ATOM 144 SG CYS A 549 55.493 6.001 -3.952 1.00 0.00 S ATOM 0 H CYS A 549 51.607 5.684 -5.122 1.00 0.00 H new ATOM 0 HA CYS A 549 53.121 3.838 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 549 54.364 4.330 -5.285 1.00 0.00 H new ATOM 0 HB3 CYS A 549 53.636 5.910 -5.496 1.00 0.00 H new ATOM 149 N SER A 550 53.154 5.253 -1.333 1.00 0.00 N ATOM 150 CA SER A 550 53.270 6.122 -0.137 1.00 0.00 C ATOM 151 C SER A 550 54.440 7.074 -0.366 1.00 0.00 C ATOM 152 O SER A 550 55.580 6.668 -0.476 1.00 0.00 O ATOM 153 CB SER A 550 53.507 5.276 1.110 1.00 0.00 C ATOM 154 OG SER A 550 52.470 4.312 1.225 1.00 0.00 O ATOM 0 H SER A 550 53.118 4.251 -1.147 1.00 0.00 H new ATOM 0 HA SER A 550 52.349 6.686 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 550 54.476 4.780 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 550 53.529 5.911 1.996 1.00 0.00 H new ATOM 0 HG SER A 550 52.578 3.631 0.529 1.00 0.00 H new ATOM 160 N GLY A 551 54.145 8.331 -0.494 1.00 0.00 N ATOM 161 CA GLY A 551 55.203 9.338 -0.781 1.00 0.00 C ATOM 162 C GLY A 551 54.814 10.049 -2.075 1.00 0.00 C ATOM 163 O GLY A 551 55.071 11.222 -2.261 1.00 0.00 O ATOM 0 H GLY A 551 53.203 8.712 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 551 55.287 10.051 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 551 56.175 8.855 -0.885 1.00 0.00 H new ATOM 167 N CYS A 552 54.172 9.330 -2.964 1.00 0.00 N ATOM 168 CA CYS A 552 53.725 9.924 -4.255 1.00 0.00 C ATOM 169 C CYS A 552 52.213 10.130 -4.211 1.00 0.00 C ATOM 170 O CYS A 552 51.679 11.004 -4.864 1.00 0.00 O ATOM 171 CB CYS A 552 54.047 8.960 -5.396 1.00 0.00 C ATOM 172 SG CYS A 552 55.703 9.300 -6.026 1.00 0.00 S ATOM 0 H CYS A 552 53.938 8.344 -2.845 1.00 0.00 H new ATOM 0 HA CYS A 552 54.235 10.875 -4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 552 53.985 7.930 -5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 552 53.314 9.068 -6.195 1.00 0.00 H new ATOM 177 N GLN A 553 51.522 9.313 -3.456 1.00 0.00 N ATOM 178 CA GLN A 553 50.038 9.430 -3.371 1.00 0.00 C ATOM 179 C GLN A 553 49.454 9.290 -4.779 1.00 0.00 C ATOM 180 O GLN A 553 48.417 9.838 -5.101 1.00 0.00 O ATOM 181 CB GLN A 553 49.662 10.783 -2.754 1.00 0.00 C ATOM 182 CG GLN A 553 49.799 10.708 -1.226 1.00 0.00 C ATOM 183 CD GLN A 553 51.123 10.038 -0.844 1.00 0.00 C ATOM 184 OE1 GLN A 553 51.228 8.827 -0.833 1.00 0.00 O ATOM 185 NE2 GLN A 553 52.139 10.781 -0.520 1.00 0.00 N ATOM 0 H GLN A 553 51.927 8.566 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 553 49.631 8.643 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 553 50.308 11.567 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 553 48.640 11.046 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 553 49.755 11.710 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 553 48.965 10.146 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 553 52.051 11.797 -0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 553 53.024 10.348 -0.257 1.00 0.00 H new ATOM 194 N LYS A 554 50.125 8.535 -5.610 1.00 0.00 N ATOM 195 CA LYS A 554 49.652 8.305 -7.004 1.00 0.00 C ATOM 196 C LYS A 554 49.781 6.810 -7.299 1.00 0.00 C ATOM 197 O LYS A 554 50.725 6.177 -6.864 1.00 0.00 O ATOM 198 CB LYS A 554 50.523 9.099 -7.986 1.00 0.00 C ATOM 199 CG LYS A 554 50.235 10.598 -7.848 1.00 0.00 C ATOM 200 CD LYS A 554 48.797 10.891 -8.288 1.00 0.00 C ATOM 201 CE LYS A 554 48.671 12.363 -8.691 1.00 0.00 C ATOM 202 NZ LYS A 554 47.276 12.637 -9.139 1.00 0.00 N ATOM 0 H LYS A 554 50.997 8.060 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 554 48.618 8.631 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 554 51.577 8.903 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 554 50.323 8.774 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 554 50.380 10.912 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 554 50.935 11.170 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 554 48.525 10.250 -9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 554 48.105 10.665 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 554 48.927 13.005 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 554 49.374 12.593 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 47.189 13.637 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 47.049 12.033 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 46.615 12.432 -8.362 1.00 0.00 H new ATOM 216 N PRO A 555 48.840 6.239 -8.012 1.00 0.00 N ATOM 217 CA PRO A 555 48.875 4.786 -8.326 1.00 0.00 C ATOM 218 C PRO A 555 50.246 4.286 -8.771 1.00 0.00 C ATOM 219 O PRO A 555 51.056 5.019 -9.305 1.00 0.00 O ATOM 220 CB PRO A 555 47.860 4.670 -9.454 1.00 0.00 C ATOM 221 CG PRO A 555 46.988 5.931 -9.437 1.00 0.00 C ATOM 222 CD PRO A 555 47.679 6.989 -8.563 1.00 0.00 C ATOM 0 HA PRO A 555 48.653 4.175 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 555 48.367 4.570 -10.414 1.00 0.00 H new ATOM 0 HB3 PRO A 555 47.245 3.779 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 555 46.848 6.309 -10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 555 45.998 5.702 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 555 47.994 7.855 -9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 555 47.022 7.357 -7.775 1.00 0.00 H new ATOM 230 N ILE A 556 50.495 3.031 -8.541 1.00 0.00 N ATOM 231 CA ILE A 556 51.796 2.428 -8.920 1.00 0.00 C ATOM 232 C ILE A 556 51.589 1.532 -10.144 1.00 0.00 C ATOM 233 O ILE A 556 51.165 0.398 -10.035 1.00 0.00 O ATOM 234 CB ILE A 556 52.307 1.610 -7.733 1.00 0.00 C ATOM 235 CG1 ILE A 556 52.686 2.566 -6.593 1.00 0.00 C ATOM 236 CG2 ILE A 556 53.531 0.793 -8.150 1.00 0.00 C ATOM 237 CD1 ILE A 556 52.641 1.830 -5.249 1.00 0.00 C ATOM 0 H ILE A 556 49.839 2.387 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 556 52.527 3.197 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 556 51.526 0.927 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 556 53.685 2.968 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.000 3.413 -6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 556 53.889 0.213 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 556 53.258 0.117 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 556 54.319 1.466 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 556 52.912 2.518 -4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 556 51.634 1.450 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.345 0.998 -5.266 1.00 0.00 H new ATOM 249 N THR A 557 51.874 2.044 -11.312 1.00 0.00 N ATOM 250 CA THR A 557 51.687 1.240 -12.554 1.00 0.00 C ATOM 251 C THR A 557 52.866 0.278 -12.729 1.00 0.00 C ATOM 252 O THR A 557 53.999 0.689 -12.892 1.00 0.00 O ATOM 253 CB THR A 557 51.598 2.183 -13.758 1.00 0.00 C ATOM 254 OG1 THR A 557 52.731 3.041 -13.770 1.00 0.00 O ATOM 255 CG2 THR A 557 50.319 3.021 -13.658 1.00 0.00 C ATOM 0 H THR A 557 52.230 2.989 -11.459 1.00 0.00 H new ATOM 0 HA THR A 557 50.767 0.661 -12.480 1.00 0.00 H new ATOM 0 HB THR A 557 51.576 1.599 -14.678 1.00 0.00 H new ATOM 0 HG1 THR A 557 53.528 2.533 -13.511 1.00 0.00 H new ATOM 0 HG21 THR A 557 50.256 3.692 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 557 49.451 2.361 -13.649 1.00 0.00 H new ATOM 0 HG23 THR A 557 50.339 3.607 -12.739 1.00 0.00 H new ATOM 263 N GLY A 558 52.598 -1.000 -12.682 1.00 0.00 N ATOM 264 CA GLY A 558 53.679 -2.017 -12.826 1.00 0.00 C ATOM 265 C GLY A 558 53.833 -2.743 -11.493 1.00 0.00 C ATOM 266 O GLY A 558 52.881 -2.888 -10.749 1.00 0.00 O ATOM 0 H GLY A 558 51.664 -1.387 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 558 53.432 -2.724 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 558 54.616 -1.538 -13.108 1.00 0.00 H new ATOM 270 N ARG A 559 55.018 -3.184 -11.168 1.00 0.00 N ATOM 271 CA ARG A 559 55.211 -3.877 -9.861 1.00 0.00 C ATOM 272 C ARG A 559 54.941 -2.878 -8.740 1.00 0.00 C ATOM 273 O ARG A 559 54.761 -1.700 -8.981 1.00 0.00 O ATOM 274 CB ARG A 559 56.634 -4.417 -9.740 1.00 0.00 C ATOM 275 CG ARG A 559 57.580 -3.530 -10.533 1.00 0.00 C ATOM 276 CD ARG A 559 57.702 -4.062 -11.960 1.00 0.00 C ATOM 277 NE ARG A 559 57.673 -2.918 -12.919 1.00 0.00 N ATOM 278 CZ ARG A 559 58.033 -3.088 -14.163 1.00 0.00 C ATOM 279 NH1 ARG A 559 58.012 -2.079 -14.988 1.00 0.00 N ATOM 280 NH2 ARG A 559 58.409 -4.264 -14.585 1.00 0.00 N ATOM 0 H ARG A 559 55.855 -3.096 -11.745 1.00 0.00 H new ATOM 0 HA ARG A 559 54.523 -4.719 -9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 559 56.936 -4.445 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 559 56.679 -5.440 -10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 559 57.209 -2.505 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 559 58.560 -3.508 -10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 559 58.630 -4.622 -12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 559 56.885 -4.751 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 559 57.370 -1.998 -12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 559 57.715 -1.159 -14.662 1.00 0.00 H new ATOM 0 HH12 ARG A 559 58.293 -2.209 -15.960 1.00 0.00 H new ATOM 0 HH21 ARG A 559 58.423 -5.056 -13.942 1.00 0.00 H new ATOM 0 HH22 ARG A 559 58.689 -4.391 -15.557 1.00 0.00 H new ATOM 294 N CYS A 560 54.906 -3.330 -7.522 1.00 0.00 N ATOM 295 CA CYS A 560 54.638 -2.390 -6.398 1.00 0.00 C ATOM 296 C CYS A 560 55.103 -3.002 -5.081 1.00 0.00 C ATOM 297 O CYS A 560 54.898 -4.171 -4.815 1.00 0.00 O ATOM 298 CB CYS A 560 53.137 -2.103 -6.325 1.00 0.00 C ATOM 299 SG CYS A 560 52.245 -3.626 -5.919 1.00 0.00 S ATOM 0 H CYS A 560 55.050 -4.304 -7.254 1.00 0.00 H new ATOM 0 HA CYS A 560 55.183 -1.462 -6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 560 52.939 -1.342 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 560 52.786 -1.707 -7.278 1.00 0.00 H new ATOM 0 HG CYS A 560 53.041 -4.441 -5.293 1.00 0.00 H new ATOM 305 N ILE A 561 55.727 -2.211 -4.254 1.00 0.00 N ATOM 306 CA ILE A 561 56.212 -2.724 -2.944 1.00 0.00 C ATOM 307 C ILE A 561 55.128 -2.510 -1.887 1.00 0.00 C ATOM 308 O ILE A 561 54.355 -1.575 -1.960 1.00 0.00 O ATOM 309 CB ILE A 561 57.477 -1.966 -2.528 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.351 -1.695 -3.763 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.261 -2.802 -1.511 1.00 0.00 C ATOM 312 CD1 ILE A 561 58.819 -3.017 -4.380 1.00 0.00 C ATOM 0 H ILE A 561 55.923 -1.226 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 561 56.439 -3.786 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 561 57.197 -1.015 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 561 57.787 -1.122 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.214 -1.091 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.161 -2.264 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.641 -2.983 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.540 -3.755 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 561 59.437 -2.812 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.401 -3.575 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 561 57.952 -3.606 -4.679 1.00 0.00 H new ATOM 324 N THR A 562 55.077 -3.366 -0.903 1.00 0.00 N ATOM 325 CA THR A 562 54.058 -3.220 0.174 1.00 0.00 C ATOM 326 C THR A 562 54.768 -3.255 1.525 1.00 0.00 C ATOM 327 O THR A 562 55.219 -4.291 1.973 1.00 0.00 O ATOM 328 CB THR A 562 53.047 -4.367 0.091 1.00 0.00 C ATOM 329 OG1 THR A 562 52.374 -4.313 -1.159 1.00 0.00 O ATOM 330 CG2 THR A 562 52.028 -4.239 1.227 1.00 0.00 C ATOM 0 H THR A 562 55.702 -4.165 -0.799 1.00 0.00 H new ATOM 0 HA THR A 562 53.527 -2.275 0.057 1.00 0.00 H new ATOM 0 HB THR A 562 53.570 -5.319 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.728 -5.048 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.310 -5.057 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.545 -4.281 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.503 -3.288 1.140 1.00 0.00 H new ATOM 338 N ALA A 563 54.874 -2.129 2.172 1.00 0.00 N ATOM 339 CA ALA A 563 55.558 -2.084 3.493 1.00 0.00 C ATOM 340 C ALA A 563 54.534 -2.356 4.594 1.00 0.00 C ATOM 341 O ALA A 563 53.767 -3.295 4.512 1.00 0.00 O ATOM 342 CB ALA A 563 56.189 -0.703 3.681 1.00 0.00 C ATOM 0 H ALA A 563 54.514 -1.234 1.841 1.00 0.00 H new ATOM 0 HA ALA A 563 56.340 -2.841 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.692 -0.661 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.913 -0.523 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.412 0.060 3.644 1.00 0.00 H new ATOM 348 N MET A 564 54.505 -1.540 5.615 1.00 0.00 N ATOM 349 CA MET A 564 53.516 -1.742 6.709 1.00 0.00 C ATOM 350 C MET A 564 52.135 -1.386 6.167 1.00 0.00 C ATOM 351 O MET A 564 51.499 -0.450 6.614 1.00 0.00 O ATOM 352 CB MET A 564 53.859 -0.821 7.876 1.00 0.00 C ATOM 353 CG MET A 564 55.339 -0.973 8.235 1.00 0.00 C ATOM 354 SD MET A 564 56.301 0.289 7.365 1.00 0.00 S ATOM 355 CE MET A 564 57.863 0.030 8.242 1.00 0.00 C ATOM 0 H MET A 564 55.127 -0.741 5.737 1.00 0.00 H new ATOM 0 HA MET A 564 53.533 -2.776 7.055 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.644 0.214 7.611 1.00 0.00 H new ATOM 0 HB3 MET A 564 53.239 -1.064 8.739 1.00 0.00 H new ATOM 0 HG2 MET A 564 55.476 -0.872 9.312 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.691 -1.968 7.961 1.00 0.00 H new ATOM 0 HE1 MET A 564 58.594 0.766 7.908 1.00 0.00 H new ATOM 0 HE2 MET A 564 57.701 0.141 9.314 1.00 0.00 H new ATOM 0 HE3 MET A 564 58.236 -0.973 8.033 1.00 0.00 H new ATOM 365 N ALA A 565 51.698 -2.104 5.170 1.00 0.00 N ATOM 366 CA ALA A 565 50.384 -1.814 4.527 1.00 0.00 C ATOM 367 C ALA A 565 50.576 -0.613 3.601 1.00 0.00 C ATOM 368 O ALA A 565 49.747 -0.312 2.764 1.00 0.00 O ATOM 369 CB ALA A 565 49.319 -1.498 5.586 1.00 0.00 C ATOM 0 H ALA A 565 52.204 -2.893 4.767 1.00 0.00 H new ATOM 0 HA ALA A 565 50.043 -2.683 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 565 48.368 -1.289 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 565 49.204 -2.353 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.628 -0.627 6.164 1.00 0.00 H new ATOM 375 N LYS A 566 51.685 0.068 3.752 1.00 0.00 N ATOM 376 CA LYS A 566 51.983 1.250 2.903 1.00 0.00 C ATOM 377 C LYS A 566 52.605 0.793 1.584 1.00 0.00 C ATOM 378 O LYS A 566 53.480 -0.050 1.563 1.00 0.00 O ATOM 379 CB LYS A 566 52.973 2.140 3.644 1.00 0.00 C ATOM 380 CG LYS A 566 52.221 2.955 4.693 1.00 0.00 C ATOM 381 CD LYS A 566 51.739 4.272 4.081 1.00 0.00 C ATOM 382 CE LYS A 566 50.852 5.004 5.089 1.00 0.00 C ATOM 383 NZ LYS A 566 51.708 5.699 6.091 1.00 0.00 N ATOM 0 H LYS A 566 52.404 -0.153 4.440 1.00 0.00 H new ATOM 0 HA LYS A 566 51.064 1.798 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.742 1.532 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 566 53.480 2.804 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.371 2.385 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 566 52.871 3.156 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 566 52.592 4.894 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 566 51.183 4.078 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 566 50.217 5.725 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 566 50.190 4.296 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 51.105 6.197 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 52.296 5.001 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 52.322 6.385 5.607 1.00 0.00 H new ATOM 397 N LYS A 567 52.165 1.343 0.484 1.00 0.00 N ATOM 398 CA LYS A 567 52.735 0.939 -0.830 1.00 0.00 C ATOM 399 C LYS A 567 53.830 1.921 -1.230 1.00 0.00 C ATOM 400 O LYS A 567 53.979 2.973 -0.643 1.00 0.00 O ATOM 401 CB LYS A 567 51.631 0.938 -1.887 1.00 0.00 C ATOM 402 CG LYS A 567 50.845 -0.370 -1.796 1.00 0.00 C ATOM 403 CD LYS A 567 50.351 -0.574 -0.359 1.00 0.00 C ATOM 404 CE LYS A 567 49.222 -1.603 -0.350 1.00 0.00 C ATOM 405 NZ LYS A 567 49.212 -2.320 0.956 1.00 0.00 N ATOM 0 H LYS A 567 51.435 2.054 0.440 1.00 0.00 H new ATOM 0 HA LYS A 567 53.158 -0.062 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 567 50.965 1.787 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.064 1.047 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 567 49.999 -0.346 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.476 -1.207 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.171 -0.913 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 567 49.999 0.371 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.264 -1.109 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.357 -2.313 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.633 -3.264 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.764 -1.780 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.232 -2.418 1.291 1.00 0.00 H new ATOM 419 N PHE A 568 54.598 1.577 -2.222 1.00 0.00 N ATOM 420 CA PHE A 568 55.701 2.475 -2.673 1.00 0.00 C ATOM 421 C PHE A 568 56.064 2.127 -4.111 1.00 0.00 C ATOM 422 O PHE A 568 56.161 0.966 -4.461 1.00 0.00 O ATOM 423 CB PHE A 568 56.948 2.233 -1.813 1.00 0.00 C ATOM 424 CG PHE A 568 56.788 2.843 -0.439 1.00 0.00 C ATOM 425 CD1 PHE A 568 57.153 4.175 -0.216 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.293 2.066 0.618 1.00 0.00 C ATOM 427 CE1 PHE A 568 57.022 4.732 1.062 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.159 2.624 1.894 1.00 0.00 C ATOM 429 CZ PHE A 568 56.524 3.957 2.117 1.00 0.00 C ATOM 0 H PHE A 568 54.511 0.706 -2.746 1.00 0.00 H new ATOM 0 HA PHE A 568 55.374 3.511 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.127 1.162 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 568 57.822 2.661 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 568 57.536 4.774 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 568 56.015 1.036 0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 568 57.305 5.760 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 568 55.774 2.026 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.422 4.388 3.102 1.00 0.00 H new ATOM 439 N HIS A 569 56.309 3.106 -4.941 1.00 0.00 N ATOM 440 CA HIS A 569 56.715 2.780 -6.333 1.00 0.00 C ATOM 441 C HIS A 569 57.970 1.914 -6.228 1.00 0.00 C ATOM 442 O HIS A 569 58.848 2.205 -5.439 1.00 0.00 O ATOM 443 CB HIS A 569 57.056 4.058 -7.110 1.00 0.00 C ATOM 444 CG HIS A 569 55.807 4.677 -7.679 1.00 0.00 C ATOM 445 ND1 HIS A 569 55.353 5.916 -7.263 1.00 0.00 N ATOM 446 CD2 HIS A 569 54.920 4.254 -8.637 1.00 0.00 C ATOM 447 CE1 HIS A 569 54.237 6.198 -7.961 1.00 0.00 C ATOM 448 NE2 HIS A 569 53.930 5.216 -8.812 1.00 0.00 N ATOM 0 H HIS A 569 56.246 4.099 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 569 55.906 2.270 -6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 569 57.554 4.769 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 569 57.754 3.826 -7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 569 54.981 3.318 -9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 569 53.662 7.105 -7.847 1.00 0.00 H new ATOM 0 HE2 HIS A 569 53.138 5.179 -9.454 1.00 0.00 H new ATOM 456 N PRO A 570 58.061 0.857 -6.990 1.00 0.00 N ATOM 457 CA PRO A 570 59.252 -0.037 -6.933 1.00 0.00 C ATOM 458 C PRO A 570 60.577 0.733 -7.037 1.00 0.00 C ATOM 459 O PRO A 570 61.646 0.173 -6.888 1.00 0.00 O ATOM 460 CB PRO A 570 59.030 -0.938 -8.145 1.00 0.00 C ATOM 461 CG PRO A 570 57.561 -0.807 -8.569 1.00 0.00 C ATOM 462 CD PRO A 570 56.995 0.472 -7.951 1.00 0.00 C ATOM 0 HA PRO A 570 59.338 -0.573 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 570 59.690 -0.647 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 570 59.265 -1.973 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.481 -0.771 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.991 -1.674 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 570 56.824 1.245 -8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.042 0.296 -7.452 1.00 0.00 H new ATOM 470 N GLU A 571 60.501 2.014 -7.280 1.00 0.00 N ATOM 471 CA GLU A 571 61.729 2.850 -7.387 1.00 0.00 C ATOM 472 C GLU A 571 61.721 3.924 -6.287 1.00 0.00 C ATOM 473 O GLU A 571 62.717 4.579 -6.047 1.00 0.00 O ATOM 474 CB GLU A 571 61.752 3.522 -8.760 1.00 0.00 C ATOM 475 CG GLU A 571 60.600 4.523 -8.851 1.00 0.00 C ATOM 476 CD GLU A 571 60.069 4.576 -10.285 1.00 0.00 C ATOM 477 OE1 GLU A 571 59.081 3.913 -10.555 1.00 0.00 O ATOM 478 OE2 GLU A 571 60.658 5.280 -11.089 1.00 0.00 O ATOM 0 H GLU A 571 59.627 2.523 -7.411 1.00 0.00 H new ATOM 0 HA GLU A 571 62.613 2.224 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 571 62.704 4.030 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.661 2.773 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 571 59.801 4.234 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 571 60.940 5.512 -8.543 1.00 0.00 H new ATOM 485 N HIS A 572 60.606 4.109 -5.616 1.00 0.00 N ATOM 486 CA HIS A 572 60.538 5.142 -4.534 1.00 0.00 C ATOM 487 C HIS A 572 60.626 4.462 -3.169 1.00 0.00 C ATOM 488 O HIS A 572 60.818 5.107 -2.156 1.00 0.00 O ATOM 489 CB HIS A 572 59.226 5.930 -4.644 1.00 0.00 C ATOM 490 CG HIS A 572 59.242 6.713 -5.929 1.00 0.00 C ATOM 491 ND1 HIS A 572 58.091 7.214 -6.530 1.00 0.00 N ATOM 492 CD2 HIS A 572 60.280 7.085 -6.750 1.00 0.00 C ATOM 493 CE1 HIS A 572 58.469 7.846 -7.658 1.00 0.00 C ATOM 494 NE2 HIS A 572 59.788 7.796 -7.836 1.00 0.00 N ATOM 0 H HIS A 572 59.742 3.589 -5.772 1.00 0.00 H new ATOM 0 HA HIS A 572 61.374 5.833 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 572 58.374 5.250 -4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 572 59.116 6.602 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 572 61.322 6.858 -6.576 1.00 0.00 H new ATOM 0 HE1 HIS A 572 57.785 8.334 -8.336 1.00 0.00 H new ATOM 0 HE2 HIS A 572 60.323 8.195 -8.607 1.00 0.00 H new ATOM 502 N PHE A 573 60.514 3.161 -3.136 1.00 0.00 N ATOM 503 CA PHE A 573 60.620 2.436 -1.843 1.00 0.00 C ATOM 504 C PHE A 573 62.092 2.400 -1.451 1.00 0.00 C ATOM 505 O PHE A 573 62.816 1.490 -1.801 1.00 0.00 O ATOM 506 CB PHE A 573 60.097 1.008 -2.007 1.00 0.00 C ATOM 507 CG PHE A 573 60.134 0.293 -0.673 1.00 0.00 C ATOM 508 CD1 PHE A 573 59.477 0.840 0.437 1.00 0.00 C ATOM 509 CD2 PHE A 573 60.825 -0.918 -0.547 1.00 0.00 C ATOM 510 CE1 PHE A 573 59.512 0.177 1.669 1.00 0.00 C ATOM 511 CE2 PHE A 573 60.860 -1.581 0.685 1.00 0.00 C ATOM 512 CZ PHE A 573 60.203 -1.033 1.793 1.00 0.00 C ATOM 0 H PHE A 573 60.353 2.571 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 573 60.030 2.937 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.078 1.026 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 573 60.704 0.470 -2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 573 58.943 1.774 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 573 61.332 -1.341 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 573 59.005 0.600 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 573 61.394 -2.515 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.230 -1.545 2.744 1.00 0.00 H new ATOM 522 N VAL A 574 62.543 3.400 -0.753 1.00 0.00 N ATOM 523 CA VAL A 574 63.978 3.447 -0.358 1.00 0.00 C ATOM 524 C VAL A 574 64.126 3.206 1.146 1.00 0.00 C ATOM 525 O VAL A 574 63.157 3.146 1.880 1.00 0.00 O ATOM 526 CB VAL A 574 64.561 4.818 -0.715 1.00 0.00 C ATOM 527 CG1 VAL A 574 64.439 5.053 -2.225 1.00 0.00 C ATOM 528 CG2 VAL A 574 63.797 5.916 0.035 1.00 0.00 C ATOM 0 H VAL A 574 61.980 4.190 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 574 64.516 2.666 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 574 65.612 4.846 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 574 64.854 6.029 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 574 64.987 4.277 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 574 63.389 5.020 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 574 64.214 6.890 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 574 62.745 5.886 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 574 63.888 5.754 1.109 1.00 0.00 H new ATOM 538 N CYS A 575 65.342 3.066 1.601 1.00 0.00 N ATOM 539 CA CYS A 575 65.593 2.825 3.050 1.00 0.00 C ATOM 540 C CYS A 575 65.434 4.131 3.827 1.00 0.00 C ATOM 541 O CYS A 575 65.992 5.148 3.463 1.00 0.00 O ATOM 542 CB CYS A 575 67.023 2.311 3.223 1.00 0.00 C ATOM 543 SG CYS A 575 67.481 2.337 4.976 1.00 0.00 S ATOM 0 H CYS A 575 66.181 3.109 1.023 1.00 0.00 H new ATOM 0 HA CYS A 575 64.880 2.092 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.104 1.297 2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 575 67.713 2.930 2.649 1.00 0.00 H new ATOM 548 N ALA A 576 64.686 4.111 4.900 1.00 0.00 N ATOM 549 CA ALA A 576 64.502 5.354 5.711 1.00 0.00 C ATOM 550 C ALA A 576 65.807 5.685 6.454 1.00 0.00 C ATOM 551 O ALA A 576 65.794 6.158 7.575 1.00 0.00 O ATOM 552 CB ALA A 576 63.373 5.139 6.721 1.00 0.00 C ATOM 0 H ALA A 576 64.195 3.289 5.250 1.00 0.00 H new ATOM 0 HA ALA A 576 64.246 6.183 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 576 63.237 6.044 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.449 4.911 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.628 4.309 7.380 1.00 0.00 H new ATOM 558 N PHE A 577 66.931 5.446 5.827 1.00 0.00 N ATOM 559 CA PHE A 577 68.246 5.745 6.466 1.00 0.00 C ATOM 560 C PHE A 577 69.187 6.300 5.400 1.00 0.00 C ATOM 561 O PHE A 577 69.620 7.434 5.465 1.00 0.00 O ATOM 562 CB PHE A 577 68.839 4.456 7.042 1.00 0.00 C ATOM 563 CG PHE A 577 69.831 4.791 8.132 1.00 0.00 C ATOM 564 CD1 PHE A 577 69.385 5.022 9.439 1.00 0.00 C ATOM 565 CD2 PHE A 577 71.198 4.867 7.835 1.00 0.00 C ATOM 566 CE1 PHE A 577 70.305 5.330 10.449 1.00 0.00 C ATOM 567 CE2 PHE A 577 72.117 5.175 8.845 1.00 0.00 C ATOM 568 CZ PHE A 577 71.671 5.407 10.151 1.00 0.00 C ATOM 0 H PHE A 577 66.993 5.052 4.888 1.00 0.00 H new ATOM 0 HA PHE A 577 68.115 6.471 7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 577 68.044 3.826 7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.330 3.887 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 577 68.331 4.963 9.668 1.00 0.00 H new ATOM 0 HD2 PHE A 577 71.543 4.688 6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 577 69.961 5.508 11.457 1.00 0.00 H new ATOM 0 HE2 PHE A 577 73.171 5.234 8.616 1.00 0.00 H new ATOM 0 HZ PHE A 577 72.381 5.646 10.929 1.00 0.00 H new ATOM 578 N CYS A 578 69.492 5.503 4.411 1.00 0.00 N ATOM 579 CA CYS A 578 70.392 5.966 3.317 1.00 0.00 C ATOM 580 C CYS A 578 69.537 6.481 2.157 1.00 0.00 C ATOM 581 O CYS A 578 69.997 7.228 1.316 1.00 0.00 O ATOM 582 CB CYS A 578 71.263 4.799 2.842 1.00 0.00 C ATOM 583 SG CYS A 578 70.256 3.301 2.716 1.00 0.00 S ATOM 0 H CYS A 578 69.154 4.546 4.314 1.00 0.00 H new ATOM 0 HA CYS A 578 71.037 6.766 3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 578 71.706 5.034 1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 578 72.085 4.639 3.539 1.00 0.00 H new ATOM 588 N LEU A 579 68.287 6.088 2.123 1.00 0.00 N ATOM 589 CA LEU A 579 67.362 6.545 1.040 1.00 0.00 C ATOM 590 C LEU A 579 67.954 6.236 -0.340 1.00 0.00 C ATOM 591 O LEU A 579 67.552 6.806 -1.336 1.00 0.00 O ATOM 592 CB LEU A 579 67.122 8.054 1.170 1.00 0.00 C ATOM 593 CG LEU A 579 66.499 8.363 2.537 1.00 0.00 C ATOM 594 CD1 LEU A 579 67.569 8.927 3.476 1.00 0.00 C ATOM 595 CD2 LEU A 579 65.378 9.393 2.367 1.00 0.00 C ATOM 0 H LEU A 579 67.864 5.462 2.808 1.00 0.00 H new ATOM 0 HA LEU A 579 66.416 6.013 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 579 68.063 8.592 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 579 66.462 8.397 0.373 1.00 0.00 H new ATOM 0 HG LEU A 579 66.091 7.446 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.123 9.145 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 579 68.367 8.195 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.980 9.843 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 579 64.935 9.613 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 579 65.787 10.308 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 579 64.613 8.992 1.702 1.00 0.00 H new ATOM 607 N LYS A 580 68.897 5.333 -0.412 1.00 0.00 N ATOM 608 CA LYS A 580 69.499 4.989 -1.733 1.00 0.00 C ATOM 609 C LYS A 580 68.471 4.208 -2.560 1.00 0.00 C ATOM 610 O LYS A 580 68.153 4.566 -3.677 1.00 0.00 O ATOM 611 CB LYS A 580 70.759 4.139 -1.520 1.00 0.00 C ATOM 612 CG LYS A 580 70.402 2.837 -0.789 1.00 0.00 C ATOM 613 CD LYS A 580 71.663 2.225 -0.173 1.00 0.00 C ATOM 614 CE LYS A 580 71.867 0.812 -0.723 1.00 0.00 C ATOM 615 NZ LYS A 580 72.279 0.891 -2.154 1.00 0.00 N ATOM 0 H LYS A 580 69.275 4.820 0.385 1.00 0.00 H new ATOM 0 HA LYS A 580 69.776 5.900 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.219 3.911 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 580 71.492 4.701 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 580 69.666 3.037 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 580 69.947 2.132 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 580 72.530 2.845 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.572 2.194 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.628 0.291 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 580 70.946 0.237 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.532 -0.058 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.492 1.264 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 73.101 1.522 -2.244 1.00 0.00 H new ATOM 629 N GLN A 581 67.947 3.150 -2.002 1.00 0.00 N ATOM 630 CA GLN A 581 66.932 2.326 -2.712 1.00 0.00 C ATOM 631 C GLN A 581 66.532 1.184 -1.786 1.00 0.00 C ATOM 632 O GLN A 581 67.227 0.886 -0.833 1.00 0.00 O ATOM 633 CB GLN A 581 67.517 1.753 -4.008 1.00 0.00 C ATOM 634 CG GLN A 581 66.550 2.009 -5.167 1.00 0.00 C ATOM 635 CD GLN A 581 65.996 0.681 -5.683 1.00 0.00 C ATOM 636 OE1 GLN A 581 66.586 0.051 -6.537 1.00 0.00 O ATOM 637 NE2 GLN A 581 64.877 0.229 -5.194 1.00 0.00 N ATOM 0 H GLN A 581 68.185 2.818 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 581 66.069 2.939 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 581 68.482 2.214 -4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 581 67.692 0.683 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 581 65.733 2.650 -4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.063 2.536 -5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 581 64.383 0.760 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 581 64.495 -0.656 -5.528 1.00 0.00 H new ATOM 646 N LEU A 582 65.426 0.545 -2.037 1.00 0.00 N ATOM 647 CA LEU A 582 65.014 -0.564 -1.138 1.00 0.00 C ATOM 648 C LEU A 582 63.986 -1.464 -1.825 1.00 0.00 C ATOM 649 O LEU A 582 63.320 -1.069 -2.763 1.00 0.00 O ATOM 650 CB LEU A 582 64.412 0.031 0.139 1.00 0.00 C ATOM 651 CG LEU A 582 64.633 -0.924 1.308 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.115 -0.944 1.689 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.802 -0.457 2.505 1.00 0.00 C ATOM 0 H LEU A 582 64.797 0.739 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 582 65.887 -1.169 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 582 64.872 0.996 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.346 0.210 0.000 1.00 0.00 H new ATOM 0 HG LEU A 582 64.326 -1.929 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.267 -1.628 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.706 -1.277 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.430 0.059 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.957 -1.137 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.110 0.548 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.746 -0.450 2.234 1.00 0.00 H new ATOM 665 N ASN A 583 63.860 -2.677 -1.354 1.00 0.00 N ATOM 666 CA ASN A 583 62.887 -3.631 -1.951 1.00 0.00 C ATOM 667 C ASN A 583 62.382 -4.577 -0.858 1.00 0.00 C ATOM 668 O ASN A 583 63.157 -5.174 -0.135 1.00 0.00 O ATOM 669 CB ASN A 583 63.576 -4.442 -3.053 1.00 0.00 C ATOM 670 CG ASN A 583 64.851 -5.086 -2.500 1.00 0.00 C ATOM 671 OD1 ASN A 583 65.882 -4.450 -2.423 1.00 0.00 O ATOM 672 ND2 ASN A 583 64.822 -6.331 -2.110 1.00 0.00 N ATOM 0 H ASN A 583 64.398 -3.049 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 583 62.048 -3.083 -2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 583 62.901 -5.212 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 583 63.820 -3.795 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 583 65.666 -6.769 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 583 63.956 -6.866 -2.175 1.00 0.00 H new ATOM 679 N LYS A 584 61.088 -4.717 -0.734 1.00 0.00 N ATOM 680 CA LYS A 584 60.518 -5.624 0.308 1.00 0.00 C ATOM 681 C LYS A 584 61.161 -7.011 0.183 1.00 0.00 C ATOM 682 O LYS A 584 61.222 -7.769 1.133 1.00 0.00 O ATOM 683 CB LYS A 584 59.000 -5.727 0.093 1.00 0.00 C ATOM 684 CG LYS A 584 58.440 -7.002 0.741 1.00 0.00 C ATOM 685 CD LYS A 584 58.607 -6.939 2.264 1.00 0.00 C ATOM 686 CE LYS A 584 57.535 -6.026 2.869 1.00 0.00 C ATOM 687 NZ LYS A 584 56.191 -6.647 2.691 1.00 0.00 N ATOM 0 H LYS A 584 60.397 -4.240 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 584 60.721 -5.229 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.508 -4.852 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 584 58.779 -5.730 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.386 -7.115 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 584 58.958 -7.877 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 584 58.527 -7.940 2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.600 -6.565 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 584 57.735 -5.865 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 584 57.562 -5.048 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 55.604 -6.037 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 56.296 -7.580 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 55.734 -6.758 3.619 1.00 0.00 H new ATOM 701 N GLY A 585 61.632 -7.343 -0.988 1.00 0.00 N ATOM 702 CA GLY A 585 62.265 -8.676 -1.207 1.00 0.00 C ATOM 703 C GLY A 585 63.388 -8.925 -0.195 1.00 0.00 C ATOM 704 O GLY A 585 63.619 -10.050 0.205 1.00 0.00 O ATOM 0 H GLY A 585 61.605 -6.741 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 585 61.512 -9.459 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.665 -8.731 -2.220 1.00 0.00 H new ATOM 708 N THR A 586 64.096 -7.902 0.215 1.00 0.00 N ATOM 709 CA THR A 586 65.210 -8.121 1.191 1.00 0.00 C ATOM 710 C THR A 586 65.393 -6.897 2.094 1.00 0.00 C ATOM 711 O THR A 586 66.496 -6.583 2.499 1.00 0.00 O ATOM 712 CB THR A 586 66.516 -8.377 0.426 1.00 0.00 C ATOM 713 OG1 THR A 586 66.772 -7.286 -0.448 1.00 0.00 O ATOM 714 CG2 THR A 586 66.399 -9.668 -0.389 1.00 0.00 C ATOM 0 H THR A 586 63.954 -6.936 -0.079 1.00 0.00 H new ATOM 0 HA THR A 586 64.960 -8.982 1.811 1.00 0.00 H new ATOM 0 HB THR A 586 67.335 -8.477 1.138 1.00 0.00 H new ATOM 0 HG1 THR A 586 67.606 -7.447 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 586 67.329 -9.843 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 586 66.206 -10.505 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 586 65.578 -9.576 -1.100 1.00 0.00 H new ATOM 722 N PHE A 587 64.335 -6.206 2.430 1.00 0.00 N ATOM 723 CA PHE A 587 64.489 -5.019 3.320 1.00 0.00 C ATOM 724 C PHE A 587 64.168 -5.413 4.761 1.00 0.00 C ATOM 725 O PHE A 587 63.797 -6.532 5.052 1.00 0.00 O ATOM 726 CB PHE A 587 63.543 -3.884 2.880 1.00 0.00 C ATOM 727 CG PHE A 587 62.271 -3.901 3.706 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.493 -5.065 3.778 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.874 -2.753 4.403 1.00 0.00 C ATOM 730 CE1 PHE A 587 60.323 -5.078 4.546 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.703 -2.767 5.170 1.00 0.00 C ATOM 732 CZ PHE A 587 59.928 -3.930 5.241 1.00 0.00 C ATOM 0 H PHE A 587 63.381 -6.409 2.130 1.00 0.00 H new ATOM 0 HA PHE A 587 65.518 -4.667 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 587 64.043 -2.922 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.299 -3.995 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 587 61.796 -5.952 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.472 -1.855 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 587 59.725 -5.975 4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.398 -1.881 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 587 59.025 -3.941 5.833 1.00 0.00 H new ATOM 742 N LYS A 588 64.288 -4.472 5.646 1.00 0.00 N ATOM 743 CA LYS A 588 63.977 -4.707 7.079 1.00 0.00 C ATOM 744 C LYS A 588 63.306 -3.438 7.605 1.00 0.00 C ATOM 745 O LYS A 588 63.242 -2.443 6.912 1.00 0.00 O ATOM 746 CB LYS A 588 65.273 -4.968 7.855 1.00 0.00 C ATOM 747 CG LYS A 588 65.720 -6.423 7.669 1.00 0.00 C ATOM 748 CD LYS A 588 64.811 -7.354 8.481 1.00 0.00 C ATOM 749 CE LYS A 588 63.989 -8.230 7.533 1.00 0.00 C ATOM 750 NZ LYS A 588 63.263 -9.266 8.320 1.00 0.00 N ATOM 0 H LYS A 588 64.597 -3.524 5.431 1.00 0.00 H new ATOM 0 HA LYS A 588 63.325 -5.572 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 588 66.055 -4.293 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 588 65.119 -4.760 8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 588 65.682 -6.693 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 588 66.755 -6.539 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 588 65.412 -7.980 9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 588 64.148 -6.767 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 588 63.280 -7.617 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 588 64.642 -8.705 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 62.704 -9.862 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 63.949 -9.857 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 62.629 -8.803 9.002 1.00 0.00 H new ATOM 764 N GLU A 589 62.803 -3.446 8.807 1.00 0.00 N ATOM 765 CA GLU A 589 62.147 -2.213 9.322 1.00 0.00 C ATOM 766 C GLU A 589 62.384 -2.067 10.823 1.00 0.00 C ATOM 767 O GLU A 589 62.592 -3.029 11.538 1.00 0.00 O ATOM 768 CB GLU A 589 60.640 -2.262 9.033 1.00 0.00 C ATOM 769 CG GLU A 589 59.905 -2.979 10.170 1.00 0.00 C ATOM 770 CD GLU A 589 58.507 -3.386 9.696 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.560 -2.704 10.051 1.00 0.00 O ATOM 772 OE2 GLU A 589 58.408 -4.372 8.983 1.00 0.00 O ATOM 0 H GLU A 589 62.817 -4.240 9.447 1.00 0.00 H new ATOM 0 HA GLU A 589 62.582 -1.351 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 589 60.251 -1.250 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.460 -2.779 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 589 60.466 -3.860 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.830 -2.325 11.039 1.00 0.00 H new ATOM 779 N GLN A 590 62.345 -0.854 11.292 1.00 0.00 N ATOM 780 CA GLN A 590 62.551 -0.580 12.736 1.00 0.00 C ATOM 781 C GLN A 590 61.901 0.763 13.055 1.00 0.00 C ATOM 782 O GLN A 590 61.830 1.632 12.212 1.00 0.00 O ATOM 783 CB GLN A 590 64.051 -0.508 13.034 1.00 0.00 C ATOM 784 CG GLN A 590 64.283 -0.535 14.547 1.00 0.00 C ATOM 785 CD GLN A 590 64.042 -1.949 15.083 1.00 0.00 C ATOM 786 OE1 GLN A 590 63.494 -2.120 16.153 1.00 0.00 O ATOM 787 NE2 GLN A 590 64.430 -2.974 14.378 1.00 0.00 N ATOM 0 H GLN A 590 62.175 -0.025 10.722 1.00 0.00 H new ATOM 0 HA GLN A 590 62.109 -1.371 13.342 1.00 0.00 H new ATOM 0 HB2 GLN A 590 64.565 -1.346 12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 590 64.472 0.403 12.609 1.00 0.00 H new ATOM 0 HG2 GLN A 590 65.301 -0.219 14.774 1.00 0.00 H new ATOM 0 HG3 GLN A 590 63.613 0.170 15.040 1.00 0.00 H new ATOM 0 HE21 GLN A 590 64.890 -2.830 13.479 1.00 0.00 H new ATOM 0 HE22 GLN A 590 64.273 -3.920 14.725 1.00 0.00 H new ATOM 796 N ASN A 591 61.426 0.944 14.255 1.00 0.00 N ATOM 797 CA ASN A 591 60.782 2.242 14.617 1.00 0.00 C ATOM 798 C ASN A 591 59.652 2.573 13.628 1.00 0.00 C ATOM 799 O ASN A 591 59.233 3.709 13.522 1.00 0.00 O ATOM 800 CB ASN A 591 61.834 3.356 14.582 1.00 0.00 C ATOM 801 CG ASN A 591 62.779 3.209 15.776 1.00 0.00 C ATOM 802 OD1 ASN A 591 62.361 3.304 16.914 1.00 0.00 O ATOM 803 ND2 ASN A 591 64.044 2.982 15.563 1.00 0.00 N ATOM 0 H ASN A 591 61.455 0.251 15.003 1.00 0.00 H new ATOM 0 HA ASN A 591 60.360 2.161 15.619 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.398 3.307 13.651 1.00 0.00 H new ATOM 0 HB3 ASN A 591 61.347 4.331 14.609 1.00 0.00 H new ATOM 0 HD21 ASN A 591 64.684 2.884 16.351 1.00 0.00 H new ATOM 0 HD22 ASN A 591 64.394 2.902 14.608 1.00 0.00 H new ATOM 810 N ASP A 592 59.159 1.588 12.909 1.00 0.00 N ATOM 811 CA ASP A 592 58.049 1.830 11.929 1.00 0.00 C ATOM 812 C ASP A 592 58.595 2.467 10.646 1.00 0.00 C ATOM 813 O ASP A 592 57.933 3.268 10.013 1.00 0.00 O ATOM 814 CB ASP A 592 57.000 2.762 12.544 1.00 0.00 C ATOM 815 CG ASP A 592 55.636 2.499 11.899 1.00 0.00 C ATOM 816 OD1 ASP A 592 55.221 3.308 11.086 1.00 0.00 O ATOM 817 OD2 ASP A 592 55.031 1.492 12.228 1.00 0.00 O ATOM 0 H ASP A 592 59.481 0.621 12.960 1.00 0.00 H new ATOM 0 HA ASP A 592 57.592 0.871 11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.942 2.600 13.620 1.00 0.00 H new ATOM 0 HB3 ASP A 592 57.290 3.802 12.393 1.00 0.00 H new ATOM 822 N LYS A 593 59.787 2.116 10.250 1.00 0.00 N ATOM 823 CA LYS A 593 60.360 2.699 9.002 1.00 0.00 C ATOM 824 C LYS A 593 61.230 1.642 8.314 1.00 0.00 C ATOM 825 O LYS A 593 61.790 0.781 8.962 1.00 0.00 O ATOM 826 CB LYS A 593 61.197 3.951 9.322 1.00 0.00 C ATOM 827 CG LYS A 593 61.392 4.110 10.837 1.00 0.00 C ATOM 828 CD LYS A 593 61.683 5.578 11.171 1.00 0.00 C ATOM 829 CE LYS A 593 60.405 6.413 11.020 1.00 0.00 C ATOM 830 NZ LYS A 593 59.257 5.698 11.650 1.00 0.00 N ATOM 0 H LYS A 593 60.390 1.451 10.735 1.00 0.00 H new ATOM 0 HA LYS A 593 59.549 2.997 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 593 62.168 3.879 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.703 4.836 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.498 3.777 11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 593 62.215 3.480 11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.062 5.660 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 593 62.459 5.963 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.539 7.388 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 593 60.199 6.592 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 58.568 6.392 12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 58.800 5.086 10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 59.602 5.117 12.441 1.00 0.00 H new ATOM 844 N PRO A 594 61.327 1.695 7.005 1.00 0.00 N ATOM 845 CA PRO A 594 62.129 0.701 6.232 1.00 0.00 C ATOM 846 C PRO A 594 63.628 0.840 6.451 1.00 0.00 C ATOM 847 O PRO A 594 64.132 1.898 6.770 1.00 0.00 O ATOM 848 CB PRO A 594 61.779 1.058 4.794 1.00 0.00 C ATOM 849 CG PRO A 594 61.236 2.484 4.801 1.00 0.00 C ATOM 850 CD PRO A 594 60.656 2.747 6.194 1.00 0.00 C ATOM 0 HA PRO A 594 61.903 -0.324 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.659 0.985 4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 594 61.037 0.366 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 594 62.028 3.197 4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.469 2.606 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 594 60.889 3.750 6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.571 2.647 6.211 1.00 0.00 H new ATOM 858 N TYR A 595 64.331 -0.234 6.258 1.00 0.00 N ATOM 859 CA TYR A 595 65.807 -0.233 6.426 1.00 0.00 C ATOM 860 C TYR A 595 66.364 -1.435 5.669 1.00 0.00 C ATOM 861 O TYR A 595 65.963 -2.555 5.912 1.00 0.00 O ATOM 862 CB TYR A 595 66.160 -0.375 7.912 1.00 0.00 C ATOM 863 CG TYR A 595 65.795 0.887 8.658 1.00 0.00 C ATOM 864 CD1 TYR A 595 64.833 0.846 9.674 1.00 0.00 C ATOM 865 CD2 TYR A 595 66.416 2.097 8.333 1.00 0.00 C ATOM 866 CE1 TYR A 595 64.494 2.014 10.363 1.00 0.00 C ATOM 867 CE2 TYR A 595 66.076 3.266 9.023 1.00 0.00 C ATOM 868 CZ TYR A 595 65.115 3.225 10.038 1.00 0.00 C ATOM 869 OH TYR A 595 64.779 4.378 10.718 1.00 0.00 O ATOM 0 H TYR A 595 63.936 -1.134 5.984 1.00 0.00 H new ATOM 0 HA TYR A 595 66.228 0.698 6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.629 -1.225 8.340 1.00 0.00 H new ATOM 0 HB3 TYR A 595 67.226 -0.576 8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 595 64.353 -0.088 9.926 1.00 0.00 H new ATOM 0 HD2 TYR A 595 67.158 2.129 7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 595 63.752 1.982 11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 595 66.556 4.200 8.772 1.00 0.00 H new ATOM 0 HH TYR A 595 65.304 5.128 10.369 1.00 0.00 H new ATOM 879 N CYS A 596 67.277 -1.230 4.756 1.00 0.00 N ATOM 880 CA CYS A 596 67.834 -2.393 4.010 1.00 0.00 C ATOM 881 C CYS A 596 68.302 -3.433 5.020 1.00 0.00 C ATOM 882 O CYS A 596 68.801 -3.098 6.075 1.00 0.00 O ATOM 883 CB CYS A 596 69.024 -1.959 3.144 1.00 0.00 C ATOM 884 SG CYS A 596 68.883 -0.204 2.728 1.00 0.00 S ATOM 0 H CYS A 596 67.656 -0.319 4.498 1.00 0.00 H new ATOM 0 HA CYS A 596 67.064 -2.807 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.957 -2.140 3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 596 69.057 -2.555 2.232 1.00 0.00 H new ATOM 889 N GLN A 597 68.146 -4.687 4.712 1.00 0.00 N ATOM 890 CA GLN A 597 68.592 -5.745 5.659 1.00 0.00 C ATOM 891 C GLN A 597 70.022 -5.421 6.093 1.00 0.00 C ATOM 892 O GLN A 597 70.390 -5.587 7.238 1.00 0.00 O ATOM 893 CB GLN A 597 68.522 -7.099 4.942 1.00 0.00 C ATOM 894 CG GLN A 597 69.746 -7.969 5.268 1.00 0.00 C ATOM 895 CD GLN A 597 69.789 -8.293 6.767 1.00 0.00 C ATOM 896 OE1 GLN A 597 70.791 -8.763 7.267 1.00 0.00 O ATOM 897 NE2 GLN A 597 68.740 -8.063 7.510 1.00 0.00 N ATOM 0 H GLN A 597 67.729 -5.027 3.845 1.00 0.00 H new ATOM 0 HA GLN A 597 67.956 -5.788 6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 597 67.613 -7.622 5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 597 68.463 -6.940 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 597 69.707 -8.893 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 597 70.658 -7.449 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 597 67.897 -7.668 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 597 68.764 -8.278 8.507 1.00 0.00 H new ATOM 906 N ASN A 598 70.814 -4.923 5.182 1.00 0.00 N ATOM 907 CA ASN A 598 72.212 -4.542 5.519 1.00 0.00 C ATOM 908 C ASN A 598 72.166 -3.361 6.490 1.00 0.00 C ATOM 909 O ASN A 598 72.930 -3.288 7.431 1.00 0.00 O ATOM 910 CB ASN A 598 72.947 -4.145 4.235 1.00 0.00 C ATOM 911 CG ASN A 598 74.408 -3.816 4.549 1.00 0.00 C ATOM 912 OD1 ASN A 598 75.306 -4.505 4.110 1.00 0.00 O ATOM 913 ND2 ASN A 598 74.684 -2.784 5.294 1.00 0.00 N ATOM 0 H ASN A 598 70.548 -4.763 4.210 1.00 0.00 H new ATOM 0 HA ASN A 598 72.739 -5.376 5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 598 72.896 -4.958 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.461 -3.282 3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 598 75.654 -2.555 5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 598 73.930 -2.205 5.663 1.00 0.00 H new ATOM 920 N CYS A 599 71.247 -2.452 6.281 1.00 0.00 N ATOM 921 CA CYS A 599 71.116 -1.289 7.204 1.00 0.00 C ATOM 922 C CYS A 599 70.585 -1.811 8.537 1.00 0.00 C ATOM 923 O CYS A 599 71.229 -1.692 9.551 1.00 0.00 O ATOM 924 CB CYS A 599 70.132 -0.266 6.626 1.00 0.00 C ATOM 925 SG CYS A 599 71.016 0.905 5.566 1.00 0.00 S ATOM 0 H CYS A 599 70.581 -2.467 5.508 1.00 0.00 H new ATOM 0 HA CYS A 599 72.082 -0.802 7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.358 -0.776 6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.631 0.267 7.434 1.00 0.00 H new ATOM 930 N PHE A 600 69.423 -2.422 8.527 1.00 0.00 N ATOM 931 CA PHE A 600 68.850 -2.993 9.785 1.00 0.00 C ATOM 932 C PHE A 600 69.939 -3.810 10.475 1.00 0.00 C ATOM 933 O PHE A 600 70.171 -3.694 11.662 1.00 0.00 O ATOM 934 CB PHE A 600 67.668 -3.895 9.412 1.00 0.00 C ATOM 935 CG PHE A 600 67.267 -4.769 10.579 1.00 0.00 C ATOM 936 CD1 PHE A 600 67.941 -5.975 10.816 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.211 -4.383 11.414 1.00 0.00 C ATOM 938 CE1 PHE A 600 67.560 -6.791 11.887 1.00 0.00 C ATOM 939 CE2 PHE A 600 65.832 -5.200 12.486 1.00 0.00 C ATOM 940 CZ PHE A 600 66.506 -6.404 12.722 1.00 0.00 C ATOM 0 H PHE A 600 68.845 -2.549 7.696 1.00 0.00 H new ATOM 0 HA PHE A 600 68.505 -2.206 10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.821 -3.282 9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.937 -4.520 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 600 68.755 -6.274 10.172 1.00 0.00 H new ATOM 0 HD2 PHE A 600 65.689 -3.455 11.231 1.00 0.00 H new ATOM 0 HE1 PHE A 600 68.080 -7.720 12.069 1.00 0.00 H new ATOM 0 HE2 PHE A 600 65.019 -4.901 13.131 1.00 0.00 H new ATOM 0 HZ PHE A 600 66.212 -7.034 13.549 1.00 0.00 H new ATOM 950 N LEU A 601 70.627 -4.613 9.715 1.00 0.00 N ATOM 951 CA LEU A 601 71.738 -5.429 10.271 1.00 0.00 C ATOM 952 C LEU A 601 72.765 -4.474 10.893 1.00 0.00 C ATOM 953 O LEU A 601 73.479 -4.814 11.813 1.00 0.00 O ATOM 954 CB LEU A 601 72.367 -6.210 9.115 1.00 0.00 C ATOM 955 CG LEU A 601 73.600 -6.979 9.585 1.00 0.00 C ATOM 956 CD1 LEU A 601 73.165 -8.211 10.381 1.00 0.00 C ATOM 957 CD2 LEU A 601 74.402 -7.415 8.358 1.00 0.00 C ATOM 0 H LEU A 601 70.463 -4.740 8.716 1.00 0.00 H new ATOM 0 HA LEU A 601 71.387 -6.125 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 601 71.637 -6.904 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 601 72.644 -5.523 8.315 1.00 0.00 H new ATOM 0 HG LEU A 601 74.214 -6.344 10.223 1.00 0.00 H new ATOM 0 HD11 LEU A 601 74.047 -8.758 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 601 72.582 -7.897 11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 601 72.556 -8.856 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 601 75.286 -7.966 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 601 73.784 -8.055 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 601 74.708 -6.535 7.792 1.00 0.00 H new ATOM 969 N LYS A 602 72.820 -3.275 10.381 1.00 0.00 N ATOM 970 CA LYS A 602 73.767 -2.248 10.900 1.00 0.00 C ATOM 971 C LYS A 602 73.117 -1.463 12.045 1.00 0.00 C ATOM 972 O LYS A 602 73.767 -1.096 13.003 1.00 0.00 O ATOM 973 CB LYS A 602 74.097 -1.278 9.762 1.00 0.00 C ATOM 974 CG LYS A 602 75.581 -0.920 9.793 1.00 0.00 C ATOM 975 CD LYS A 602 76.418 -2.118 9.331 1.00 0.00 C ATOM 976 CE LYS A 602 76.294 -2.282 7.814 1.00 0.00 C ATOM 977 NZ LYS A 602 77.419 -3.121 7.312 1.00 0.00 N ATOM 0 H LYS A 602 72.235 -2.958 9.608 1.00 0.00 H new ATOM 0 HA LYS A 602 74.669 -2.736 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.844 -1.730 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.495 -0.375 9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.770 -0.063 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.873 -0.629 10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 602 77.462 -1.971 9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 602 76.080 -3.025 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 602 75.340 -2.747 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 602 76.310 -1.306 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 77.164 -3.527 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 78.271 -2.533 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 77.608 -3.889 7.988 1.00 0.00 H new ATOM 991 N LEU A 603 71.843 -1.184 11.941 1.00 0.00 N ATOM 992 CA LEU A 603 71.153 -0.404 13.009 1.00 0.00 C ATOM 993 C LEU A 603 70.715 -1.342 14.135 1.00 0.00 C ATOM 994 O LEU A 603 71.061 -1.153 15.285 1.00 0.00 O ATOM 995 CB LEU A 603 69.912 0.294 12.433 1.00 0.00 C ATOM 996 CG LEU A 603 70.169 0.768 10.997 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.971 1.586 10.511 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.430 1.637 10.942 1.00 0.00 C ATOM 0 H LEU A 603 71.250 -1.464 11.160 1.00 0.00 H new ATOM 0 HA LEU A 603 71.845 0.343 13.398 1.00 0.00 H new ATOM 0 HB2 LEU A 603 69.064 -0.391 12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.645 1.145 13.059 1.00 0.00 H new ATOM 0 HG LEU A 603 70.309 -0.103 10.357 1.00 0.00 H new ATOM 0 HD11 LEU A 603 69.151 1.924 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 603 68.074 0.967 10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.833 2.450 11.161 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.600 1.966 9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.301 2.507 11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 603 72.287 1.057 11.284 1.00 0.00 H new ATOM 1010 N PHE A 604 69.945 -2.343 13.809 1.00 0.00 N ATOM 1011 CA PHE A 604 69.462 -3.294 14.849 1.00 0.00 C ATOM 1012 C PHE A 604 70.612 -4.186 15.320 1.00 0.00 C ATOM 1013 O PHE A 604 70.558 -4.765 16.388 1.00 0.00 O ATOM 1014 CB PHE A 604 68.353 -4.167 14.259 1.00 0.00 C ATOM 1015 CG PHE A 604 67.540 -4.776 15.378 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.634 -3.986 16.096 1.00 0.00 C ATOM 1017 CD2 PHE A 604 67.693 -6.131 15.698 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.881 -4.550 17.132 1.00 0.00 C ATOM 1019 CE2 PHE A 604 66.940 -6.695 16.734 1.00 0.00 C ATOM 1020 CZ PHE A 604 66.034 -5.904 17.451 1.00 0.00 C ATOM 0 H PHE A 604 69.628 -2.544 12.861 1.00 0.00 H new ATOM 0 HA PHE A 604 69.078 -2.730 15.699 1.00 0.00 H new ATOM 0 HB2 PHE A 604 67.711 -3.569 13.612 1.00 0.00 H new ATOM 0 HB3 PHE A 604 68.785 -4.953 13.640 1.00 0.00 H new ATOM 0 HD1 PHE A 604 66.516 -2.941 15.850 1.00 0.00 H new ATOM 0 HD2 PHE A 604 68.392 -6.741 15.145 1.00 0.00 H new ATOM 0 HE1 PHE A 604 65.182 -3.940 17.685 1.00 0.00 H new ATOM 0 HE2 PHE A 604 67.058 -7.740 16.980 1.00 0.00 H new ATOM 0 HZ PHE A 604 65.453 -6.339 18.251 1.00 0.00 H new ATOM 1030 N CYS A 605 71.647 -4.307 14.532 1.00 0.00 N ATOM 1031 CA CYS A 605 72.797 -5.171 14.939 1.00 0.00 C ATOM 1032 C CYS A 605 74.115 -4.523 14.497 1.00 0.00 C ATOM 1033 O CYS A 605 74.153 -3.308 14.408 1.00 0.00 O ATOM 1034 CB CYS A 605 72.644 -6.552 14.291 1.00 0.00 C ATOM 1035 SG CYS A 605 73.517 -7.786 15.287 1.00 0.00 S ATOM 1036 OXT CYS A 605 75.068 -5.250 14.262 1.00 0.00 O ATOM 0 H CYS A 605 71.747 -3.847 13.627 1.00 0.00 H new ATOM 0 HA CYS A 605 72.808 -5.281 16.023 1.00 0.00 H new ATOM 0 HB2 CYS A 605 71.589 -6.813 14.212 1.00 0.00 H new ATOM 0 HB3 CYS A 605 73.046 -6.537 13.278 1.00 0.00 H new ATOM 0 HG CYS A 605 73.386 -8.958 14.739 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 56.209 7.062 -5.868 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.446 1.600 4.034 1.00 0.00 ZN