USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 645 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 Set 1.1: A 31 HIS : no HE2:sc= 0.444! C(o=1.3!,f=-10!) USER MOD Set 1.2: A 59 THR OG1 : rot 167:sc= 0.844 USER MOD Set 2.1: A 23 ASN : amide:sc= 0.23 K(o=0.52,f=1.4) USER MOD Set 2.2: A 26 TYR OH : rot 62:sc= 0.288 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.0187 K(o=0.011,f=-4.5!) USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc=-0.00753 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.212 (180deg=-0.912) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0.151 (180deg=-0.159) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -5:sc= 1.07 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0516 K(o=0.052,f=-8.8!) USER MOD Single : A 28 CYS SG : rot 1:sc= 0.239 USER MOD Single : A 30 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 1.9 (180deg=1.55) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-3.4!) USER MOD Single : A 43 HIS : no HD1:sc= -0.655 X(o=-0.66,f=-0.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 171:sc= -2.21! USER MOD Single : A 52 SER OG : rot 36:sc= 0.536 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 1.24 (180deg=0.959) USER MOD Single : A 64 HIS : no HD1:sc= -0.592 K(o=-0.59,f=0.15) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc=-0.00513 (180deg=-0.0571) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.55 K(o=-1.2,f=-6.5!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-1.9) USER MOD Single : A 83 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.0052) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.201 -16.095 -12.187 1.00 0.00 N ATOM 2 CA MET A 1 46.018 -14.627 -12.230 1.00 0.00 C ATOM 3 C MET A 1 46.800 -14.017 -13.390 1.00 0.00 C ATOM 4 O MET A 1 46.211 -13.506 -14.343 1.00 0.00 O ATOM 5 CB MET A 1 46.466 -13.997 -10.907 1.00 0.00 C ATOM 6 CG MET A 1 46.280 -12.487 -10.844 1.00 0.00 C ATOM 7 SD MET A 1 46.784 -11.792 -9.257 1.00 0.00 S ATOM 8 CE MET A 1 45.690 -12.676 -8.146 1.00 0.00 C ATOM 0 H1 MET A 1 45.661 -16.489 -11.391 1.00 0.00 H new ATOM 0 H2 MET A 1 45.862 -16.513 -13.077 1.00 0.00 H new ATOM 0 H3 MET A 1 47.210 -16.316 -12.064 1.00 0.00 H new ATOM 0 HA MET A 1 44.958 -14.420 -12.381 1.00 0.00 H new ATOM 0 HB2 MET A 1 45.908 -14.456 -10.091 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.518 -14.230 -10.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.858 -12.020 -11.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.233 -12.246 -11.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.626 -12.143 -7.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 44.697 -12.744 -8.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.080 -13.679 -7.973 1.00 0.00 H new ATOM 20 N ALA A 2 48.125 -14.083 -13.311 1.00 0.00 N ATOM 21 CA ALA A 2 48.981 -13.494 -14.334 1.00 0.00 C ATOM 22 C ALA A 2 50.334 -14.195 -14.396 1.00 0.00 C ATOM 23 O ALA A 2 50.891 -14.397 -15.476 1.00 0.00 O ATOM 24 CB ALA A 2 49.173 -12.008 -14.068 1.00 0.00 C ATOM 0 H ALA A 2 48.629 -14.538 -12.550 1.00 0.00 H new ATOM 0 HA ALA A 2 48.489 -13.624 -15.298 1.00 0.00 H new ATOM 0 HB1 ALA A 2 49.814 -11.580 -14.839 1.00 0.00 H new ATOM 0 HB2 ALA A 2 48.205 -11.508 -14.082 1.00 0.00 H new ATOM 0 HB3 ALA A 2 49.638 -11.870 -13.092 1.00 0.00 H new ATOM 30 N GLY A 3 50.851 -14.567 -13.236 1.00 0.00 N ATOM 31 CA GLY A 3 52.159 -15.185 -13.161 1.00 0.00 C ATOM 32 C GLY A 3 53.086 -14.381 -12.277 1.00 0.00 C ATOM 33 O GLY A 3 53.102 -14.559 -11.055 1.00 0.00 O ATOM 0 H GLY A 3 50.384 -14.451 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 3 52.065 -16.198 -12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 3 52.585 -15.268 -14.161 1.00 0.00 H new ATOM 37 N ASP A 4 53.845 -13.486 -12.889 1.00 0.00 N ATOM 38 CA ASP A 4 54.689 -12.558 -12.149 1.00 0.00 C ATOM 39 C ASP A 4 54.937 -11.298 -12.974 1.00 0.00 C ATOM 40 O ASP A 4 55.454 -11.356 -14.087 1.00 0.00 O ATOM 41 CB ASP A 4 56.023 -13.204 -11.722 1.00 0.00 C ATOM 42 CG ASP A 4 56.945 -13.564 -12.876 1.00 0.00 C ATOM 43 OD1 ASP A 4 56.854 -14.699 -13.392 1.00 0.00 O ATOM 44 OD2 ASP A 4 57.799 -12.731 -13.242 1.00 0.00 O ATOM 0 H ASP A 4 53.895 -13.381 -13.902 1.00 0.00 H new ATOM 0 HA ASP A 4 54.159 -12.285 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 4 56.547 -12.520 -11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 4 55.809 -14.106 -11.149 1.00 0.00 H new ATOM 49 N PRO A 5 54.499 -10.143 -12.461 1.00 0.00 N ATOM 50 CA PRO A 5 54.715 -8.851 -13.095 1.00 0.00 C ATOM 51 C PRO A 5 55.906 -8.107 -12.496 1.00 0.00 C ATOM 52 O PRO A 5 56.064 -6.899 -12.689 1.00 0.00 O ATOM 53 CB PRO A 5 53.410 -8.133 -12.774 1.00 0.00 C ATOM 54 CG PRO A 5 52.989 -8.670 -11.436 1.00 0.00 C ATOM 55 CD PRO A 5 53.702 -9.991 -11.234 1.00 0.00 C ATOM 0 HA PRO A 5 54.945 -8.923 -14.158 1.00 0.00 H new ATOM 0 HB2 PRO A 5 53.552 -7.053 -12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 5 52.654 -8.330 -13.534 1.00 0.00 H new ATOM 0 HG2 PRO A 5 53.247 -7.969 -10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 5 51.908 -8.808 -11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 5 54.333 -9.975 -10.345 1.00 0.00 H new ATOM 0 HD3 PRO A 5 52.997 -10.813 -11.109 1.00 0.00 H new ATOM 63 N LEU A 6 56.739 -8.837 -11.771 1.00 0.00 N ATOM 64 CA LEU A 6 57.854 -8.240 -11.054 1.00 0.00 C ATOM 65 C LEU A 6 59.178 -8.601 -11.712 1.00 0.00 C ATOM 66 O LEU A 6 59.324 -9.689 -12.271 1.00 0.00 O ATOM 67 CB LEU A 6 57.851 -8.701 -9.594 1.00 0.00 C ATOM 68 CG LEU A 6 56.594 -8.337 -8.797 1.00 0.00 C ATOM 69 CD1 LEU A 6 56.692 -8.878 -7.382 1.00 0.00 C ATOM 70 CD2 LEU A 6 56.390 -6.829 -8.779 1.00 0.00 C ATOM 0 H LEU A 6 56.663 -9.848 -11.664 1.00 0.00 H new ATOM 0 HA LEU A 6 57.739 -7.157 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 6 57.975 -9.784 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 6 58.717 -8.270 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 6 55.732 -8.793 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 55.792 -8.612 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 6 56.791 -9.963 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 6 57.563 -8.448 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 6 55.493 -6.590 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 6 57.253 -6.351 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 6 56.278 -6.465 -9.800 1.00 0.00 H new ATOM 82 N PRO A 7 60.151 -7.678 -11.672 1.00 0.00 N ATOM 83 CA PRO A 7 61.499 -7.914 -12.205 1.00 0.00 C ATOM 84 C PRO A 7 62.176 -9.118 -11.551 1.00 0.00 C ATOM 85 O PRO A 7 62.175 -9.256 -10.325 1.00 0.00 O ATOM 86 CB PRO A 7 62.252 -6.624 -11.863 1.00 0.00 C ATOM 87 CG PRO A 7 61.191 -5.595 -11.689 1.00 0.00 C ATOM 88 CD PRO A 7 60.009 -6.321 -11.119 1.00 0.00 C ATOM 0 HA PRO A 7 61.482 -8.140 -13.271 1.00 0.00 H new ATOM 0 HB2 PRO A 7 62.842 -6.740 -10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 7 62.944 -6.348 -12.659 1.00 0.00 H new ATOM 0 HG2 PRO A 7 61.522 -4.801 -11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 7 60.941 -5.126 -12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 7 60.026 -6.326 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 7 59.069 -5.859 -11.421 1.00 0.00 H new ATOM 96 N LYS A 8 62.772 -9.972 -12.372 1.00 0.00 N ATOM 97 CA LYS A 8 63.365 -11.219 -11.896 1.00 0.00 C ATOM 98 C LYS A 8 64.804 -11.014 -11.415 1.00 0.00 C ATOM 99 O LYS A 8 65.693 -11.814 -11.714 1.00 0.00 O ATOM 100 CB LYS A 8 63.317 -12.273 -13.006 1.00 0.00 C ATOM 101 CG LYS A 8 61.901 -12.654 -13.418 1.00 0.00 C ATOM 102 CD LYS A 8 61.895 -13.701 -14.521 1.00 0.00 C ATOM 103 CE LYS A 8 60.477 -14.088 -14.912 1.00 0.00 C ATOM 104 NZ LYS A 8 59.736 -14.700 -13.776 1.00 0.00 N ATOM 0 H LYS A 8 62.859 -9.824 -13.378 1.00 0.00 H new ATOM 0 HA LYS A 8 62.783 -11.566 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.852 -11.896 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.843 -13.167 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.361 -13.036 -12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.370 -11.765 -13.758 1.00 0.00 H new ATOM 0 HD2 LYS A 8 62.422 -13.315 -15.394 1.00 0.00 H new ATOM 0 HD3 LYS A 8 62.436 -14.586 -14.187 1.00 0.00 H new ATOM 0 HE2 LYS A 8 59.942 -13.204 -15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 8 60.509 -14.790 -15.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.857 -15.132 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 60.327 -15.430 -13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 59.505 -13.966 -13.076 1.00 0.00 H new ATOM 118 N TYR A 9 65.015 -9.954 -10.650 1.00 0.00 N ATOM 119 CA TYR A 9 66.324 -9.653 -10.080 1.00 0.00 C ATOM 120 C TYR A 9 66.392 -10.165 -8.641 1.00 0.00 C ATOM 121 O TYR A 9 65.727 -11.145 -8.302 1.00 0.00 O ATOM 122 CB TYR A 9 66.582 -8.141 -10.113 1.00 0.00 C ATOM 123 CG TYR A 9 66.705 -7.561 -11.506 1.00 0.00 C ATOM 124 CD1 TYR A 9 65.582 -7.152 -12.211 1.00 0.00 C ATOM 125 CD2 TYR A 9 67.947 -7.415 -12.112 1.00 0.00 C ATOM 126 CE1 TYR A 9 65.689 -6.613 -13.479 1.00 0.00 C ATOM 127 CE2 TYR A 9 68.064 -6.876 -13.381 1.00 0.00 C ATOM 128 CZ TYR A 9 66.931 -6.476 -14.059 1.00 0.00 C ATOM 129 OH TYR A 9 67.041 -5.938 -15.321 1.00 0.00 O ATOM 0 H TYR A 9 64.289 -9.280 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 9 67.091 -10.151 -10.673 1.00 0.00 H new ATOM 0 HB2 TYR A 9 65.770 -7.634 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 9 67.498 -7.928 -9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 9 64.606 -7.257 -11.760 1.00 0.00 H new ATOM 0 HD2 TYR A 9 68.836 -7.727 -11.584 1.00 0.00 H new ATOM 0 HE1 TYR A 9 64.803 -6.301 -14.013 1.00 0.00 H new ATOM 0 HE2 TYR A 9 69.037 -6.769 -13.838 1.00 0.00 H new ATOM 0 HH TYR A 9 67.985 -5.910 -15.584 1.00 0.00 H new ATOM 139 N TRP A 10 67.217 -9.522 -7.815 1.00 0.00 N ATOM 140 CA TRP A 10 67.265 -9.815 -6.377 1.00 0.00 C ATOM 141 C TRP A 10 65.885 -9.638 -5.747 1.00 0.00 C ATOM 142 O TRP A 10 65.115 -10.590 -5.612 1.00 0.00 O ATOM 143 CB TRP A 10 68.279 -8.894 -5.684 1.00 0.00 C ATOM 144 CG TRP A 10 69.513 -9.590 -5.185 1.00 0.00 C ATOM 145 CD1 TRP A 10 69.970 -9.609 -3.898 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.443 -10.364 -5.953 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.132 -10.334 -3.822 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.442 -10.813 -5.066 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.534 -10.717 -7.303 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.511 -11.600 -5.487 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.595 -11.499 -7.719 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.573 -11.932 -6.814 1.00 0.00 C ATOM 0 H TRP A 10 67.864 -8.793 -8.115 1.00 0.00 H new ATOM 0 HA TRP A 10 67.577 -10.851 -6.246 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.576 -8.111 -6.382 1.00 0.00 H new ATOM 0 HB3 TRP A 10 67.789 -8.403 -4.843 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.487 -9.124 -3.062 1.00 0.00 H new ATOM 0 HE1 TRP A 10 71.677 -10.491 -2.974 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.788 -10.384 -8.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.265 -11.937 -4.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.671 -11.781 -8.759 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.392 -12.540 -7.170 1.00 0.00 H new ATOM 163 N SER A 11 65.599 -8.404 -5.375 1.00 0.00 N ATOM 164 CA SER A 11 64.305 -7.995 -4.845 1.00 0.00 C ATOM 165 C SER A 11 64.256 -6.479 -4.886 1.00 0.00 C ATOM 166 O SER A 11 63.237 -5.872 -5.210 1.00 0.00 O ATOM 167 CB SER A 11 64.091 -8.487 -3.405 1.00 0.00 C ATOM 168 OG SER A 11 64.058 -9.902 -3.335 1.00 0.00 O ATOM 0 H SER A 11 66.272 -7.640 -5.433 1.00 0.00 H new ATOM 0 HA SER A 11 63.512 -8.436 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 11 64.891 -8.110 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 11 63.157 -8.081 -3.017 1.00 0.00 H new ATOM 0 HG SER A 11 64.095 -10.275 -4.240 1.00 0.00 H new ATOM 174 N TYR A 12 65.399 -5.880 -4.579 1.00 0.00 N ATOM 175 CA TYR A 12 65.560 -4.436 -4.669 1.00 0.00 C ATOM 176 C TYR A 12 66.646 -4.109 -5.690 1.00 0.00 C ATOM 177 O TYR A 12 67.712 -4.725 -5.671 1.00 0.00 O ATOM 178 CB TYR A 12 65.928 -3.833 -3.307 1.00 0.00 C ATOM 179 CG TYR A 12 64.891 -4.055 -2.225 1.00 0.00 C ATOM 180 CD1 TYR A 12 63.534 -4.076 -2.522 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.275 -4.249 -0.905 1.00 0.00 C ATOM 182 CE1 TYR A 12 62.590 -4.283 -1.536 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.337 -4.457 0.088 1.00 0.00 C ATOM 184 CZ TYR A 12 62.996 -4.472 -0.233 1.00 0.00 C ATOM 185 OH TYR A 12 62.059 -4.685 0.751 1.00 0.00 O ATOM 0 H TYR A 12 66.233 -6.376 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 12 64.611 -4.002 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.876 -4.259 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.086 -2.761 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.212 -3.928 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.324 -4.237 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 12 61.539 -4.297 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.652 -4.607 1.110 1.00 0.00 H new ATOM 0 HH TYR A 12 62.510 -4.801 1.613 1.00 0.00 H new ATOM 195 N PRO A 13 66.386 -3.167 -6.611 1.00 0.00 N ATOM 196 CA PRO A 13 67.346 -2.780 -7.644 1.00 0.00 C ATOM 197 C PRO A 13 68.394 -1.790 -7.140 1.00 0.00 C ATOM 198 O PRO A 13 68.246 -1.196 -6.070 1.00 0.00 O ATOM 199 CB PRO A 13 66.480 -2.117 -8.726 1.00 0.00 C ATOM 200 CG PRO A 13 65.071 -2.136 -8.218 1.00 0.00 C ATOM 201 CD PRO A 13 65.138 -2.409 -6.742 1.00 0.00 C ATOM 0 HA PRO A 13 67.911 -3.643 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.810 -1.095 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 13 66.559 -2.657 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 13 64.579 -1.183 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.489 -2.905 -8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.161 -1.487 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.278 -2.982 -6.397 1.00 0.00 H new ATOM 209 N VAL A 14 69.455 -1.619 -7.921 1.00 0.00 N ATOM 210 CA VAL A 14 70.497 -0.654 -7.602 1.00 0.00 C ATOM 211 C VAL A 14 69.996 0.767 -7.848 1.00 0.00 C ATOM 212 O VAL A 14 69.313 1.031 -8.838 1.00 0.00 O ATOM 213 CB VAL A 14 71.778 -0.913 -8.430 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.791 0.210 -8.258 1.00 0.00 C ATOM 215 CG2 VAL A 14 72.398 -2.239 -8.035 1.00 0.00 C ATOM 0 H VAL A 14 69.615 -2.140 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 14 70.746 -0.770 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 14 71.493 -0.948 -9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.678 -0.006 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.351 1.151 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 14 73.070 0.290 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 14 73.299 -2.410 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.656 -2.219 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.686 -3.043 -8.220 1.00 0.00 H new ATOM 225 N GLY A 15 70.324 1.670 -6.937 1.00 0.00 N ATOM 226 CA GLY A 15 69.873 3.039 -7.058 1.00 0.00 C ATOM 227 C GLY A 15 68.700 3.322 -6.150 1.00 0.00 C ATOM 228 O GLY A 15 68.261 4.465 -6.022 1.00 0.00 O ATOM 0 H GLY A 15 70.896 1.478 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.693 3.715 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.590 3.239 -8.091 1.00 0.00 H new ATOM 232 N LEU A 16 68.189 2.277 -5.521 1.00 0.00 N ATOM 233 CA LEU A 16 67.087 2.420 -4.589 1.00 0.00 C ATOM 234 C LEU A 16 67.601 2.946 -3.256 1.00 0.00 C ATOM 235 O LEU A 16 68.457 2.323 -2.619 1.00 0.00 O ATOM 236 CB LEU A 16 66.367 1.081 -4.391 1.00 0.00 C ATOM 237 CG LEU A 16 65.134 1.134 -3.483 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.074 2.058 -4.068 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.569 -0.262 -3.271 1.00 0.00 C ATOM 0 H LEU A 16 68.521 1.320 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 16 66.373 3.133 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.064 0.701 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.075 0.364 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 16 65.438 1.534 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.207 2.081 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.482 3.064 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.773 1.691 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.694 -0.206 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.283 -0.688 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.325 -0.894 -2.805 1.00 0.00 H new ATOM 251 N ALA A 17 67.099 4.103 -2.856 1.00 0.00 N ATOM 252 CA ALA A 17 67.475 4.694 -1.587 1.00 0.00 C ATOM 253 C ALA A 17 66.661 4.076 -0.461 1.00 0.00 C ATOM 254 O ALA A 17 65.426 4.078 -0.488 1.00 0.00 O ATOM 255 CB ALA A 17 67.299 6.206 -1.629 1.00 0.00 C ATOM 0 H ALA A 17 66.429 4.651 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 17 68.529 4.487 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.586 6.633 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.929 6.624 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.256 6.445 -1.835 1.00 0.00 H new ATOM 261 N VAL A 18 67.360 3.531 0.517 1.00 0.00 N ATOM 262 CA VAL A 18 66.726 2.837 1.621 1.00 0.00 C ATOM 263 C VAL A 18 67.285 3.341 2.944 1.00 0.00 C ATOM 264 O VAL A 18 68.461 3.687 3.034 1.00 0.00 O ATOM 265 CB VAL A 18 66.942 1.303 1.527 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.312 0.738 0.260 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.425 0.960 1.577 1.00 0.00 C ATOM 0 H VAL A 18 68.378 3.557 0.568 1.00 0.00 H new ATOM 0 HA VAL A 18 65.656 3.040 1.567 1.00 0.00 H new ATOM 0 HB VAL A 18 66.452 0.846 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.478 -0.338 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.241 0.940 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.765 1.208 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.551 -0.121 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.937 1.438 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.850 1.317 2.515 1.00 0.00 H new ATOM 277 N GLU A 19 66.453 3.397 3.963 1.00 0.00 N ATOM 278 CA GLU A 19 66.915 3.772 5.283 1.00 0.00 C ATOM 279 C GLU A 19 67.243 2.521 6.072 1.00 0.00 C ATOM 280 O GLU A 19 66.454 1.572 6.100 1.00 0.00 O ATOM 281 CB GLU A 19 65.872 4.620 6.016 1.00 0.00 C ATOM 282 CG GLU A 19 65.586 5.949 5.335 1.00 0.00 C ATOM 283 CD GLU A 19 64.737 6.884 6.175 1.00 0.00 C ATOM 284 OE1 GLU A 19 65.267 7.458 7.147 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.550 7.083 5.850 1.00 0.00 O ATOM 0 H GLU A 19 65.456 3.188 3.903 1.00 0.00 H new ATOM 0 HA GLU A 19 67.814 4.381 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 19 64.944 4.053 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.217 4.808 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 19 66.531 6.440 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 19 65.080 5.762 4.388 1.00 0.00 H new ATOM 292 N ILE A 20 68.421 2.501 6.675 1.00 0.00 N ATOM 293 CA ILE A 20 68.872 1.337 7.424 1.00 0.00 C ATOM 294 C ILE A 20 67.983 1.122 8.641 1.00 0.00 C ATOM 295 O ILE A 20 67.867 1.988 9.511 1.00 0.00 O ATOM 296 CB ILE A 20 70.356 1.450 7.865 1.00 0.00 C ATOM 297 CG1 ILE A 20 71.304 1.387 6.658 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.702 0.343 8.847 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.293 2.619 5.777 1.00 0.00 C ATOM 0 H ILE A 20 69.083 3.277 6.661 1.00 0.00 H new ATOM 0 HA ILE A 20 68.799 0.479 6.756 1.00 0.00 H new ATOM 0 HB ILE A 20 70.484 2.417 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 20 72.319 1.225 7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 20 71.040 0.521 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.746 0.436 9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 20 70.063 0.424 9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.545 -0.626 8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.992 2.483 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.290 2.774 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.589 3.489 6.364 1.00 0.00 H new ATOM 311 N ASN A 21 67.360 -0.045 8.679 1.00 0.00 N ATOM 312 CA ASN A 21 66.390 -0.379 9.708 1.00 0.00 C ATOM 313 C ASN A 21 67.104 -0.682 11.019 1.00 0.00 C ATOM 314 O ASN A 21 68.246 -1.148 11.015 1.00 0.00 O ATOM 315 CB ASN A 21 65.575 -1.593 9.257 1.00 0.00 C ATOM 316 CG ASN A 21 64.160 -1.595 9.787 1.00 0.00 C ATOM 317 OD1 ASN A 21 63.880 -1.075 10.864 1.00 0.00 O ATOM 318 ND2 ASN A 21 63.255 -2.185 9.025 1.00 0.00 N ATOM 0 H ASN A 21 67.513 -0.787 7.997 1.00 0.00 H new ATOM 0 HA ASN A 21 65.720 0.467 9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 21 65.547 -1.619 8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 21 66.079 -2.502 9.585 1.00 0.00 H new ATOM 0 HD21 ASN A 21 62.281 -2.221 9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 21 63.531 -2.605 8.137 1.00 0.00 H new ATOM 325 N ASN A 22 66.437 -0.432 12.140 1.00 0.00 N ATOM 326 CA ASN A 22 67.041 -0.670 13.448 1.00 0.00 C ATOM 327 C ASN A 22 67.039 -2.165 13.777 1.00 0.00 C ATOM 328 O ASN A 22 66.430 -2.612 14.749 1.00 0.00 O ATOM 329 CB ASN A 22 66.312 0.122 14.543 1.00 0.00 C ATOM 330 CG ASN A 22 67.096 0.190 15.849 1.00 0.00 C ATOM 331 OD1 ASN A 22 67.881 -0.701 16.176 1.00 0.00 O ATOM 332 ND2 ASN A 22 66.890 1.256 16.609 1.00 0.00 N ATOM 0 H ASN A 22 65.485 -0.067 12.171 1.00 0.00 H new ATOM 0 HA ASN A 22 68.074 -0.324 13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 22 66.122 1.134 14.186 1.00 0.00 H new ATOM 0 HB3 ASN A 22 65.342 -0.337 14.731 1.00 0.00 H new ATOM 0 HD21 ASN A 22 67.388 1.356 17.493 1.00 0.00 H new ATOM 0 HD22 ASN A 22 66.233 1.977 16.310 1.00 0.00 H new ATOM 339 N ASN A 23 67.688 -2.933 12.918 1.00 0.00 N ATOM 340 CA ASN A 23 67.947 -4.343 13.174 1.00 0.00 C ATOM 341 C ASN A 23 69.446 -4.604 13.117 1.00 0.00 C ATOM 342 O ASN A 23 69.953 -5.522 13.753 1.00 0.00 O ATOM 343 CB ASN A 23 67.217 -5.244 12.170 1.00 0.00 C ATOM 344 CG ASN A 23 65.718 -5.300 12.412 1.00 0.00 C ATOM 345 OD1 ASN A 23 65.237 -6.102 13.214 1.00 0.00 O ATOM 346 ND2 ASN A 23 64.966 -4.470 11.704 1.00 0.00 N ATOM 0 H ASN A 23 68.050 -2.599 12.025 1.00 0.00 H new ATOM 0 HA ASN A 23 67.568 -4.583 14.168 1.00 0.00 H new ATOM 0 HB2 ASN A 23 67.404 -4.881 11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.628 -6.252 12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 23 63.952 -4.481 11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.401 -3.820 11.049 1.00 0.00 H new ATOM 353 N ALA A 24 70.160 -3.755 12.380 1.00 0.00 N ATOM 354 CA ALA A 24 71.605 -3.877 12.253 1.00 0.00 C ATOM 355 C ALA A 24 72.305 -3.454 13.539 1.00 0.00 C ATOM 356 O ALA A 24 73.528 -3.528 13.640 1.00 0.00 O ATOM 357 CB ALA A 24 72.101 -3.048 11.079 1.00 0.00 C ATOM 0 H ALA A 24 69.757 -2.974 11.862 1.00 0.00 H new ATOM 0 HA ALA A 24 71.844 -4.924 12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 24 73.183 -3.148 10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 24 71.631 -3.400 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 24 71.844 -2.001 11.239 1.00 0.00 H new ATOM 363 N ARG A 25 71.516 -3.011 14.521 1.00 0.00 N ATOM 364 CA ARG A 25 72.036 -2.648 15.834 1.00 0.00 C ATOM 365 C ARG A 25 72.763 -3.836 16.467 1.00 0.00 C ATOM 366 O ARG A 25 73.691 -3.662 17.257 1.00 0.00 O ATOM 367 CB ARG A 25 70.896 -2.147 16.737 1.00 0.00 C ATOM 368 CG ARG A 25 71.300 -1.912 18.186 1.00 0.00 C ATOM 369 CD ARG A 25 70.296 -1.027 18.919 1.00 0.00 C ATOM 370 NE ARG A 25 68.907 -1.383 18.621 1.00 0.00 N ATOM 371 CZ ARG A 25 67.907 -1.310 19.501 1.00 0.00 C ATOM 372 NH1 ARG A 25 68.147 -0.971 20.761 1.00 0.00 N ATOM 373 NH2 ARG A 25 66.663 -1.587 19.118 1.00 0.00 N ATOM 0 H ARG A 25 70.507 -2.896 14.426 1.00 0.00 H new ATOM 0 HA ARG A 25 72.756 -1.838 15.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 70.505 -1.216 16.326 1.00 0.00 H new ATOM 0 HB3 ARG A 25 70.083 -2.873 16.712 1.00 0.00 H new ATOM 0 HG2 ARG A 25 71.383 -2.870 18.700 1.00 0.00 H new ATOM 0 HG3 ARG A 25 72.285 -1.447 18.218 1.00 0.00 H new ATOM 0 HD2 ARG A 25 70.465 -1.105 19.993 1.00 0.00 H new ATOM 0 HD3 ARG A 25 70.467 0.014 18.645 1.00 0.00 H new ATOM 0 HE ARG A 25 68.690 -1.708 17.679 1.00 0.00 H new ATOM 0 HH11 ARG A 25 69.100 -0.765 21.061 1.00 0.00 H new ATOM 0 HH12 ARG A 25 67.379 -0.917 21.430 1.00 0.00 H new ATOM 0 HH21 ARG A 25 66.474 -1.855 18.152 1.00 0.00 H new ATOM 0 HH22 ARG A 25 65.898 -1.531 19.790 1.00 0.00 H new ATOM 387 N TYR A 26 72.341 -5.041 16.110 1.00 0.00 N ATOM 388 CA TYR A 26 73.070 -6.238 16.489 1.00 0.00 C ATOM 389 C TYR A 26 73.814 -6.793 15.276 1.00 0.00 C ATOM 390 O TYR A 26 73.325 -7.668 14.566 1.00 0.00 O ATOM 391 CB TYR A 26 72.147 -7.290 17.131 1.00 0.00 C ATOM 392 CG TYR A 26 70.776 -7.435 16.491 1.00 0.00 C ATOM 393 CD1 TYR A 26 69.724 -6.609 16.871 1.00 0.00 C ATOM 394 CD2 TYR A 26 70.528 -8.410 15.532 1.00 0.00 C ATOM 395 CE1 TYR A 26 68.468 -6.746 16.309 1.00 0.00 C ATOM 396 CE2 TYR A 26 69.274 -8.554 14.968 1.00 0.00 C ATOM 397 CZ TYR A 26 68.248 -7.719 15.360 1.00 0.00 C ATOM 398 OH TYR A 26 66.995 -7.864 14.803 1.00 0.00 O ATOM 0 H TYR A 26 71.499 -5.213 15.560 1.00 0.00 H new ATOM 0 HA TYR A 26 73.803 -5.973 17.251 1.00 0.00 H new ATOM 0 HB2 TYR A 26 72.649 -8.257 17.097 1.00 0.00 H new ATOM 0 HB3 TYR A 26 72.013 -7.037 18.183 1.00 0.00 H new ATOM 0 HD1 TYR A 26 69.891 -5.847 17.618 1.00 0.00 H new ATOM 0 HD2 TYR A 26 71.328 -9.066 15.222 1.00 0.00 H new ATOM 0 HE1 TYR A 26 67.663 -6.093 16.613 1.00 0.00 H new ATOM 0 HE2 TYR A 26 69.098 -9.317 14.224 1.00 0.00 H new ATOM 0 HH TYR A 26 66.751 -7.042 14.328 1.00 0.00 H new ATOM 408 N GLY A 27 74.991 -6.234 15.033 1.00 0.00 N ATOM 409 CA GLY A 27 75.775 -6.590 13.867 1.00 0.00 C ATOM 410 C GLY A 27 76.719 -5.467 13.477 1.00 0.00 C ATOM 411 O GLY A 27 77.939 -5.642 13.467 1.00 0.00 O ATOM 0 H GLY A 27 75.422 -5.530 15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.347 -7.495 14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.110 -6.816 13.033 1.00 0.00 H new ATOM 415 N CYS A 28 76.149 -4.308 13.177 1.00 0.00 N ATOM 416 CA CYS A 28 76.923 -3.109 12.875 1.00 0.00 C ATOM 417 C CYS A 28 76.202 -1.884 13.439 1.00 0.00 C ATOM 418 O CYS A 28 75.454 -1.204 12.733 1.00 0.00 O ATOM 419 CB CYS A 28 77.139 -2.959 11.365 1.00 0.00 C ATOM 420 SG CYS A 28 78.092 -4.304 10.619 1.00 0.00 S ATOM 0 H CYS A 28 75.139 -4.171 13.136 1.00 0.00 H new ATOM 0 HA CYS A 28 77.904 -3.197 13.341 1.00 0.00 H new ATOM 0 HB2 CYS A 28 76.168 -2.900 10.874 1.00 0.00 H new ATOM 0 HB3 CYS A 28 77.651 -2.016 11.174 1.00 0.00 H new ATOM 0 HG CYS A 28 78.407 -5.172 11.534 1.00 0.00 H new ATOM 426 N PRO A 29 76.415 -1.595 14.733 1.00 0.00 N ATOM 427 CA PRO A 29 75.661 -0.578 15.467 1.00 0.00 C ATOM 428 C PRO A 29 76.123 0.847 15.178 1.00 0.00 C ATOM 429 O PRO A 29 76.088 1.714 16.053 1.00 0.00 O ATOM 430 CB PRO A 29 75.915 -0.933 16.946 1.00 0.00 C ATOM 431 CG PRO A 29 76.744 -2.182 16.938 1.00 0.00 C ATOM 432 CD PRO A 29 77.406 -2.241 15.595 1.00 0.00 C ATOM 0 HA PRO A 29 74.609 -0.587 15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.436 -0.123 17.457 1.00 0.00 H new ATOM 0 HB3 PRO A 29 74.976 -1.092 17.475 1.00 0.00 H new ATOM 0 HG2 PRO A 29 77.486 -2.161 17.736 1.00 0.00 H new ATOM 0 HG3 PRO A 29 76.122 -3.062 17.104 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.359 -1.712 15.587 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.608 -3.266 15.285 1.00 0.00 H new ATOM 440 N HIS A 30 76.517 1.095 13.944 1.00 0.00 N ATOM 441 CA HIS A 30 76.952 2.424 13.537 1.00 0.00 C ATOM 442 C HIS A 30 76.150 2.879 12.330 1.00 0.00 C ATOM 443 O HIS A 30 76.531 3.792 11.601 1.00 0.00 O ATOM 444 CB HIS A 30 78.458 2.428 13.240 1.00 0.00 C ATOM 445 CG HIS A 30 79.053 3.797 13.084 1.00 0.00 C ATOM 446 ND1 HIS A 30 79.788 4.182 11.984 1.00 0.00 N ATOM 447 CD2 HIS A 30 79.032 4.868 13.910 1.00 0.00 C ATOM 448 CE1 HIS A 30 80.194 5.426 12.142 1.00 0.00 C ATOM 449 NE2 HIS A 30 79.749 5.869 13.303 1.00 0.00 N ATOM 0 H HIS A 30 76.546 0.395 13.203 1.00 0.00 H new ATOM 0 HA HIS A 30 76.774 3.126 14.352 1.00 0.00 H new ATOM 0 HB2 HIS A 30 78.977 1.909 14.046 1.00 0.00 H new ATOM 0 HB3 HIS A 30 78.638 1.860 12.327 1.00 0.00 H new ATOM 0 HD2 HIS A 30 78.541 4.925 14.870 1.00 0.00 H new ATOM 0 HE1 HIS A 30 80.791 5.989 11.439 1.00 0.00 H new ATOM 0 HE2 HIS A 30 79.911 6.801 13.686 1.00 0.00 H new ATOM 458 N HIS A 31 75.020 2.233 12.162 1.00 0.00 N ATOM 459 CA HIS A 31 74.095 2.525 11.076 1.00 0.00 C ATOM 460 C HIS A 31 72.672 2.253 11.541 1.00 0.00 C ATOM 461 O HIS A 31 72.187 1.128 11.452 1.00 0.00 O ATOM 462 CB HIS A 31 74.403 1.684 9.826 1.00 0.00 C ATOM 463 CG HIS A 31 75.666 2.064 9.114 1.00 0.00 C ATOM 464 ND1 HIS A 31 75.711 3.017 8.125 1.00 0.00 N ATOM 465 CD2 HIS A 31 76.936 1.614 9.255 1.00 0.00 C ATOM 466 CE1 HIS A 31 76.949 3.139 7.689 1.00 0.00 C ATOM 467 NE2 HIS A 31 77.716 2.300 8.357 1.00 0.00 N ATOM 0 H HIS A 31 74.708 1.482 12.777 1.00 0.00 H new ATOM 0 HA HIS A 31 74.208 3.575 10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 31 74.467 0.635 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 31 73.569 1.772 9.130 1.00 0.00 H new ATOM 0 HD1 HIS A 31 74.911 3.548 7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 31 77.273 0.856 9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 31 77.280 3.814 6.914 1.00 0.00 H new ATOM 476 N VAL A 32 72.031 3.270 12.096 1.00 0.00 N ATOM 477 CA VAL A 32 70.661 3.145 12.579 1.00 0.00 C ATOM 478 C VAL A 32 69.822 4.331 12.122 1.00 0.00 C ATOM 479 O VAL A 32 70.049 5.462 12.550 1.00 0.00 O ATOM 480 CB VAL A 32 70.601 3.057 14.124 1.00 0.00 C ATOM 481 CG1 VAL A 32 69.159 2.960 14.603 1.00 0.00 C ATOM 482 CG2 VAL A 32 71.412 1.875 14.637 1.00 0.00 C ATOM 0 H VAL A 32 72.439 4.196 12.224 1.00 0.00 H new ATOM 0 HA VAL A 32 70.261 2.222 12.160 1.00 0.00 H new ATOM 0 HB VAL A 32 71.039 3.970 14.527 1.00 0.00 H new ATOM 0 HG11 VAL A 32 69.140 2.899 15.691 1.00 0.00 H new ATOM 0 HG12 VAL A 32 68.608 3.843 14.279 1.00 0.00 H new ATOM 0 HG13 VAL A 32 68.695 2.068 14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.352 1.837 15.725 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.012 0.951 14.219 1.00 0.00 H new ATOM 0 HG23 VAL A 32 72.453 1.989 14.335 1.00 0.00 H new ATOM 492 N GLY A 33 68.871 4.076 11.233 1.00 0.00 N ATOM 493 CA GLY A 33 67.957 5.118 10.802 1.00 0.00 C ATOM 494 C GLY A 33 68.579 6.076 9.807 1.00 0.00 C ATOM 495 O GLY A 33 68.019 7.136 9.522 1.00 0.00 O ATOM 0 H GLY A 33 68.715 3.165 10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.076 4.658 10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.616 5.678 11.673 1.00 0.00 H new ATOM 499 N ARG A 34 69.737 5.715 9.274 1.00 0.00 N ATOM 500 CA ARG A 34 70.405 6.558 8.297 1.00 0.00 C ATOM 501 C ARG A 34 69.892 6.229 6.907 1.00 0.00 C ATOM 502 O ARG A 34 69.409 5.125 6.663 1.00 0.00 O ATOM 503 CB ARG A 34 71.923 6.382 8.353 1.00 0.00 C ATOM 504 CG ARG A 34 72.504 6.498 9.752 1.00 0.00 C ATOM 505 CD ARG A 34 73.986 6.836 9.715 1.00 0.00 C ATOM 506 NE ARG A 34 74.212 8.196 9.222 1.00 0.00 N ATOM 507 CZ ARG A 34 74.464 9.240 10.013 1.00 0.00 C ATOM 508 NH1 ARG A 34 74.625 9.067 11.318 1.00 0.00 N ATOM 509 NH2 ARG A 34 74.572 10.456 9.498 1.00 0.00 N ATOM 0 H ARG A 34 70.229 4.851 9.500 1.00 0.00 H new ATOM 0 HA ARG A 34 70.183 7.599 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.181 5.406 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.390 7.131 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.968 7.268 10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.357 5.560 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.409 6.735 10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.507 6.124 9.075 1.00 0.00 H new ATOM 0 HE ARG A 34 74.175 8.354 8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.556 8.132 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.818 9.868 11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.462 10.596 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 34 74.765 11.252 10.106 1.00 0.00 H new ATOM 523 N LYS A 35 69.984 7.184 5.999 1.00 0.00 N ATOM 524 CA LYS A 35 69.467 6.993 4.654 1.00 0.00 C ATOM 525 C LYS A 35 70.603 6.640 3.706 1.00 0.00 C ATOM 526 O LYS A 35 71.516 7.436 3.494 1.00 0.00 O ATOM 527 CB LYS A 35 68.730 8.246 4.155 1.00 0.00 C ATOM 528 CG LYS A 35 67.688 8.795 5.126 1.00 0.00 C ATOM 529 CD LYS A 35 68.320 9.728 6.145 1.00 0.00 C ATOM 530 CE LYS A 35 67.314 10.262 7.153 1.00 0.00 C ATOM 531 NZ LYS A 35 66.864 9.226 8.123 1.00 0.00 N ATOM 0 H LYS A 35 70.410 8.096 6.166 1.00 0.00 H new ATOM 0 HA LYS A 35 68.751 6.172 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.463 9.026 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.240 8.012 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 35 66.916 9.328 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.197 7.969 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 35 69.113 9.199 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 35 68.787 10.565 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 35 67.759 11.094 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 35 66.448 10.656 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 66.545 9.686 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 66.079 8.683 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 67.654 8.584 8.337 1.00 0.00 H new ATOM 545 N GLY A 36 70.543 5.443 3.150 1.00 0.00 N ATOM 546 CA GLY A 36 71.571 4.990 2.243 1.00 0.00 C ATOM 547 C GLY A 36 71.011 4.619 0.887 1.00 0.00 C ATOM 548 O GLY A 36 69.835 4.856 0.606 1.00 0.00 O ATOM 0 H GLY A 36 69.793 4.771 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.319 5.773 2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.079 4.127 2.673 1.00 0.00 H new ATOM 552 N LYS A 37 71.847 4.037 0.048 1.00 0.00 N ATOM 553 CA LYS A 37 71.446 3.660 -1.296 1.00 0.00 C ATOM 554 C LYS A 37 72.104 2.345 -1.696 1.00 0.00 C ATOM 555 O LYS A 37 73.303 2.157 -1.492 1.00 0.00 O ATOM 556 CB LYS A 37 71.831 4.771 -2.276 1.00 0.00 C ATOM 557 CG LYS A 37 71.493 4.474 -3.727 1.00 0.00 C ATOM 558 CD LYS A 37 71.898 5.629 -4.632 1.00 0.00 C ATOM 559 CE LYS A 37 73.377 5.954 -4.490 1.00 0.00 C ATOM 560 NZ LYS A 37 73.782 7.116 -5.323 1.00 0.00 N ATOM 0 H LYS A 37 72.816 3.813 0.275 1.00 0.00 H new ATOM 0 HA LYS A 37 70.365 3.522 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.327 5.691 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.902 4.954 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 37 72.003 3.564 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.423 4.290 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 37 71.678 5.375 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 37 71.305 6.510 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 37 73.602 6.164 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 37 73.967 5.083 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 74.797 7.299 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 73.593 6.908 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 73.239 7.955 -5.035 1.00 0.00 H new ATOM 574 N ILE A 38 71.308 1.436 -2.249 1.00 0.00 N ATOM 575 CA ILE A 38 71.813 0.147 -2.707 1.00 0.00 C ATOM 576 C ILE A 38 72.613 0.325 -3.993 1.00 0.00 C ATOM 577 O ILE A 38 72.091 0.818 -4.993 1.00 0.00 O ATOM 578 CB ILE A 38 70.662 -0.851 -2.954 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.825 -1.014 -1.680 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.208 -2.199 -3.415 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.601 -1.886 -1.861 1.00 0.00 C ATOM 0 H ILE A 38 70.307 1.569 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 38 72.457 -0.255 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 38 70.022 -0.457 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.451 -1.441 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.510 -0.029 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.381 -2.888 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.766 -2.068 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.868 -2.605 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.060 -1.954 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 38 67.952 -1.449 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.908 -2.883 -2.176 1.00 0.00 H new ATOM 593 N ILE A 39 73.882 -0.063 -3.956 1.00 0.00 N ATOM 594 CA ILE A 39 74.769 0.127 -5.099 1.00 0.00 C ATOM 595 C ILE A 39 75.266 -1.202 -5.672 1.00 0.00 C ATOM 596 O ILE A 39 75.904 -1.229 -6.725 1.00 0.00 O ATOM 597 CB ILE A 39 75.985 1.004 -4.729 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.711 0.426 -3.509 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.544 2.439 -4.468 1.00 0.00 C ATOM 600 CD1 ILE A 39 77.951 1.200 -3.113 1.00 0.00 C ATOM 0 H ILE A 39 74.320 -0.510 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 39 74.176 0.633 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 39 76.681 1.008 -5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.022 0.404 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.990 -0.606 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.412 3.045 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.074 2.844 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.830 2.456 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.410 0.731 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.660 1.200 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.677 2.227 -2.870 1.00 0.00 H new ATOM 612 N GLU A 40 74.970 -2.302 -4.988 1.00 0.00 N ATOM 613 CA GLU A 40 75.430 -3.612 -5.433 1.00 0.00 C ATOM 614 C GLU A 40 74.532 -4.719 -4.885 1.00 0.00 C ATOM 615 O GLU A 40 73.960 -4.590 -3.798 1.00 0.00 O ATOM 616 CB GLU A 40 76.886 -3.835 -4.993 1.00 0.00 C ATOM 617 CG GLU A 40 77.463 -5.186 -5.390 1.00 0.00 C ATOM 618 CD GLU A 40 77.500 -5.399 -6.889 1.00 0.00 C ATOM 619 OE1 GLU A 40 76.483 -5.851 -7.459 1.00 0.00 O ATOM 620 OE2 GLU A 40 78.547 -5.128 -7.506 1.00 0.00 O ATOM 0 H GLU A 40 74.418 -2.313 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 40 75.380 -3.645 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.507 -3.048 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.945 -3.733 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.474 -5.274 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.870 -5.977 -4.931 1.00 0.00 H new ATOM 627 N HIS A 41 74.410 -5.796 -5.650 1.00 0.00 N ATOM 628 CA HIS A 41 73.640 -6.961 -5.234 1.00 0.00 C ATOM 629 C HIS A 41 74.581 -8.023 -4.690 1.00 0.00 C ATOM 630 O HIS A 41 75.364 -8.607 -5.442 1.00 0.00 O ATOM 631 CB HIS A 41 72.850 -7.551 -6.408 1.00 0.00 C ATOM 632 CG HIS A 41 71.876 -6.608 -7.041 1.00 0.00 C ATOM 633 ND1 HIS A 41 70.579 -6.456 -6.603 1.00 0.00 N ATOM 634 CD2 HIS A 41 72.011 -5.781 -8.101 1.00 0.00 C ATOM 635 CE1 HIS A 41 69.960 -5.578 -7.369 1.00 0.00 C ATOM 636 NE2 HIS A 41 70.806 -5.154 -8.285 1.00 0.00 N ATOM 0 H HIS A 41 74.839 -5.887 -6.571 1.00 0.00 H new ATOM 0 HA HIS A 41 72.937 -6.645 -4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.554 -7.890 -7.168 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.309 -8.431 -6.059 1.00 0.00 H new ATOM 0 HD1 HIS A 41 70.162 -6.945 -5.811 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.903 -5.640 -8.693 1.00 0.00 H new ATOM 0 HE1 HIS A 41 68.933 -5.261 -7.263 1.00 0.00 H new ATOM 645 N LEU A 42 74.512 -8.280 -3.400 1.00 0.00 N ATOM 646 CA LEU A 42 75.431 -9.215 -2.778 1.00 0.00 C ATOM 647 C LEU A 42 74.915 -10.639 -2.883 1.00 0.00 C ATOM 648 O LEU A 42 73.850 -10.966 -2.358 1.00 0.00 O ATOM 649 CB LEU A 42 75.656 -8.856 -1.311 1.00 0.00 C ATOM 650 CG LEU A 42 76.303 -7.496 -1.068 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.446 -7.248 0.420 1.00 0.00 C ATOM 652 CD2 LEU A 42 77.656 -7.413 -1.756 1.00 0.00 C ATOM 0 H LEU A 42 73.835 -7.859 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 42 76.380 -9.148 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.696 -8.881 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.282 -9.625 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 42 75.661 -6.724 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.909 -6.275 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.462 -7.265 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.071 -8.025 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.100 -6.435 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.312 -8.190 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.528 -7.555 -2.829 1.00 0.00 H new ATOM 664 N HIS A 43 75.662 -11.480 -3.580 1.00 0.00 N ATOM 665 CA HIS A 43 75.360 -12.901 -3.611 1.00 0.00 C ATOM 666 C HIS A 43 76.022 -13.580 -2.416 1.00 0.00 C ATOM 667 O HIS A 43 77.094 -14.172 -2.519 1.00 0.00 O ATOM 668 CB HIS A 43 75.776 -13.551 -4.946 1.00 0.00 C ATOM 669 CG HIS A 43 77.194 -13.288 -5.371 1.00 0.00 C ATOM 670 ND1 HIS A 43 78.202 -14.216 -5.243 1.00 0.00 N ATOM 671 CD2 HIS A 43 77.758 -12.203 -5.952 1.00 0.00 C ATOM 672 CE1 HIS A 43 79.325 -13.715 -5.724 1.00 0.00 C ATOM 673 NE2 HIS A 43 79.082 -12.496 -6.160 1.00 0.00 N ATOM 0 H HIS A 43 76.477 -11.205 -4.129 1.00 0.00 H new ATOM 0 HA HIS A 43 74.280 -13.033 -3.539 1.00 0.00 H new ATOM 0 HB2 HIS A 43 75.631 -14.628 -4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 43 75.107 -13.195 -5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.259 -11.279 -6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.280 -14.219 -5.755 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.768 -11.871 -6.584 1.00 0.00 H new ATOM 682 N SER A 44 75.380 -13.434 -1.270 1.00 0.00 N ATOM 683 CA SER A 44 75.909 -13.933 -0.015 1.00 0.00 C ATOM 684 C SER A 44 74.844 -14.766 0.694 1.00 0.00 C ATOM 685 O SER A 44 73.766 -15.000 0.147 1.00 0.00 O ATOM 686 CB SER A 44 76.348 -12.745 0.858 1.00 0.00 C ATOM 687 OG SER A 44 76.934 -13.165 2.082 1.00 0.00 O ATOM 0 H SER A 44 74.478 -12.966 -1.184 1.00 0.00 H new ATOM 0 HA SER A 44 76.775 -14.569 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.063 -12.135 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 44 75.485 -12.113 1.068 1.00 0.00 H new ATOM 0 HG SER A 44 77.200 -12.379 2.604 1.00 0.00 H new ATOM 693 N ALA A 45 75.144 -15.207 1.905 1.00 0.00 N ATOM 694 CA ALA A 45 74.197 -15.972 2.695 1.00 0.00 C ATOM 695 C ALA A 45 73.906 -15.209 3.969 1.00 0.00 C ATOM 696 O ALA A 45 73.132 -15.638 4.823 1.00 0.00 O ATOM 697 CB ALA A 45 74.751 -17.354 3.006 1.00 0.00 C ATOM 0 H ALA A 45 76.041 -15.046 2.363 1.00 0.00 H new ATOM 0 HA ALA A 45 73.273 -16.110 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 45 74.026 -17.912 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 45 74.944 -17.886 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.680 -17.256 3.567 1.00 0.00 H new ATOM 703 N THR A 46 74.555 -14.062 4.077 1.00 0.00 N ATOM 704 CA THR A 46 74.448 -13.218 5.243 1.00 0.00 C ATOM 705 C THR A 46 73.864 -11.859 4.864 1.00 0.00 C ATOM 706 O THR A 46 72.942 -11.361 5.510 1.00 0.00 O ATOM 707 CB THR A 46 75.834 -13.025 5.879 1.00 0.00 C ATOM 708 OG1 THR A 46 76.490 -14.292 6.019 1.00 0.00 O ATOM 709 CG2 THR A 46 75.713 -12.373 7.236 1.00 0.00 C ATOM 0 H THR A 46 75.172 -13.693 3.353 1.00 0.00 H new ATOM 0 HA THR A 46 73.785 -13.700 5.961 1.00 0.00 H new ATOM 0 HB THR A 46 76.421 -12.378 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.373 -14.160 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 46 76.705 -12.246 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.236 -11.399 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.110 -13.003 7.890 1.00 0.00 H new ATOM 717 N TYR A 47 74.392 -11.282 3.796 1.00 0.00 N ATOM 718 CA TYR A 47 73.971 -9.967 3.345 1.00 0.00 C ATOM 719 C TYR A 47 73.367 -10.073 1.956 1.00 0.00 C ATOM 720 O TYR A 47 73.748 -10.944 1.177 1.00 0.00 O ATOM 721 CB TYR A 47 75.160 -9.005 3.315 1.00 0.00 C ATOM 722 CG TYR A 47 75.954 -8.967 4.601 1.00 0.00 C ATOM 723 CD1 TYR A 47 75.449 -8.352 5.738 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.215 -9.548 4.673 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.177 -8.315 6.912 1.00 0.00 C ATOM 726 CE2 TYR A 47 77.948 -9.516 5.842 1.00 0.00 C ATOM 727 CZ TYR A 47 77.425 -8.900 6.959 1.00 0.00 C ATOM 728 OH TYR A 47 78.151 -8.869 8.125 1.00 0.00 O ATOM 0 H TYR A 47 75.119 -11.709 3.222 1.00 0.00 H new ATOM 0 HA TYR A 47 73.225 -9.581 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 47 75.824 -9.290 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 47 74.796 -8.001 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 47 74.471 -7.895 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.628 -10.032 3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 47 75.771 -7.831 7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.927 -9.971 5.882 1.00 0.00 H new ATOM 0 HH TYR A 47 79.007 -9.326 7.990 1.00 0.00 H new ATOM 738 N ASP A 48 72.437 -9.189 1.650 1.00 0.00 N ATOM 739 CA ASP A 48 71.770 -9.211 0.357 1.00 0.00 C ATOM 740 C ASP A 48 72.142 -7.988 -0.476 1.00 0.00 C ATOM 741 O ASP A 48 72.190 -8.053 -1.706 1.00 0.00 O ATOM 742 CB ASP A 48 70.249 -9.267 0.534 1.00 0.00 C ATOM 743 CG ASP A 48 69.736 -10.644 0.914 1.00 0.00 C ATOM 744 OD1 ASP A 48 69.909 -11.058 2.080 1.00 0.00 O ATOM 745 OD2 ASP A 48 69.124 -11.307 0.052 1.00 0.00 O ATOM 0 H ASP A 48 72.125 -8.447 2.276 1.00 0.00 H new ATOM 0 HA ASP A 48 72.103 -10.106 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.954 -8.553 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.771 -8.953 -0.394 1.00 0.00 H new ATOM 750 N TYR A 49 72.419 -6.871 0.189 1.00 0.00 N ATOM 751 CA TYR A 49 72.644 -5.616 -0.523 1.00 0.00 C ATOM 752 C TYR A 49 73.821 -4.845 0.052 1.00 0.00 C ATOM 753 O TYR A 49 74.081 -4.890 1.255 1.00 0.00 O ATOM 754 CB TYR A 49 71.397 -4.731 -0.452 1.00 0.00 C ATOM 755 CG TYR A 49 70.134 -5.430 -0.883 1.00 0.00 C ATOM 756 CD1 TYR A 49 69.785 -5.510 -2.223 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.297 -6.019 0.054 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.636 -6.159 -2.621 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.141 -6.671 -0.336 1.00 0.00 C ATOM 760 CZ TYR A 49 67.815 -6.736 -1.675 1.00 0.00 C ATOM 761 OH TYR A 49 66.673 -7.393 -2.071 1.00 0.00 O ATOM 0 H TYR A 49 72.493 -6.807 1.204 1.00 0.00 H new ATOM 0 HA TYR A 49 72.865 -5.873 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.273 -4.374 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.549 -3.853 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.424 -5.057 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.552 -5.968 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.380 -6.215 -3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.498 -7.126 0.403 1.00 0.00 H new ATOM 0 HH TYR A 49 66.284 -7.864 -1.305 1.00 0.00 H new ATOM 771 N ALA A 50 74.529 -4.142 -0.817 1.00 0.00 N ATOM 772 CA ALA A 50 75.572 -3.225 -0.388 1.00 0.00 C ATOM 773 C ALA A 50 75.023 -1.804 -0.400 1.00 0.00 C ATOM 774 O ALA A 50 74.687 -1.272 -1.462 1.00 0.00 O ATOM 775 CB ALA A 50 76.794 -3.335 -1.287 1.00 0.00 C ATOM 0 H ALA A 50 74.399 -4.189 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 50 75.883 -3.485 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.561 -2.639 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.184 -4.352 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.514 -3.093 -2.312 1.00 0.00 H new ATOM 781 N VAL A 51 74.916 -1.202 0.774 1.00 0.00 N ATOM 782 CA VAL A 51 74.280 0.100 0.913 1.00 0.00 C ATOM 783 C VAL A 51 75.294 1.170 1.305 1.00 0.00 C ATOM 784 O VAL A 51 76.042 1.010 2.270 1.00 0.00 O ATOM 785 CB VAL A 51 73.152 0.049 1.967 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.479 1.405 2.113 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.129 -1.019 1.605 1.00 0.00 C ATOM 0 H VAL A 51 75.263 -1.596 1.649 1.00 0.00 H new ATOM 0 HA VAL A 51 73.854 0.359 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 51 73.599 -0.211 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.689 1.340 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.216 2.145 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.049 1.703 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.342 -1.040 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.693 -0.791 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.618 -1.992 1.564 1.00 0.00 H new ATOM 797 N SER A 52 75.334 2.247 0.535 1.00 0.00 N ATOM 798 CA SER A 52 76.174 3.387 0.859 1.00 0.00 C ATOM 799 C SER A 52 75.341 4.472 1.536 1.00 0.00 C ATOM 800 O SER A 52 74.430 5.034 0.920 1.00 0.00 O ATOM 801 CB SER A 52 76.824 3.937 -0.412 1.00 0.00 C ATOM 802 OG SER A 52 75.842 4.268 -1.378 1.00 0.00 O ATOM 0 H SER A 52 74.791 2.354 -0.322 1.00 0.00 H new ATOM 0 HA SER A 52 76.959 3.066 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.415 4.821 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.511 3.197 -0.824 1.00 0.00 H new ATOM 0 HG SER A 52 75.050 4.630 -0.929 1.00 0.00 H new ATOM 808 N ASP A 53 75.643 4.750 2.797 1.00 0.00 N ATOM 809 CA ASP A 53 74.915 5.762 3.564 1.00 0.00 C ATOM 810 C ASP A 53 75.229 7.168 3.069 1.00 0.00 C ATOM 811 O ASP A 53 76.168 7.379 2.298 1.00 0.00 O ATOM 812 CB ASP A 53 75.260 5.672 5.055 1.00 0.00 C ATOM 813 CG ASP A 53 74.617 4.490 5.750 1.00 0.00 C ATOM 814 OD1 ASP A 53 74.707 3.365 5.227 1.00 0.00 O ATOM 815 OD2 ASP A 53 74.044 4.678 6.848 1.00 0.00 O ATOM 0 H ASP A 53 76.390 4.289 3.316 1.00 0.00 H new ATOM 0 HA ASP A 53 73.852 5.564 3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.342 5.605 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.945 6.591 5.550 1.00 0.00 H new ATOM 820 N GLU A 54 74.443 8.127 3.540 1.00 0.00 N ATOM 821 CA GLU A 54 74.649 9.541 3.231 1.00 0.00 C ATOM 822 C GLU A 54 75.999 10.035 3.752 1.00 0.00 C ATOM 823 O GLU A 54 76.576 10.986 3.216 1.00 0.00 O ATOM 824 CB GLU A 54 73.506 10.382 3.820 1.00 0.00 C ATOM 825 CG GLU A 54 72.917 9.830 5.116 1.00 0.00 C ATOM 826 CD GLU A 54 73.877 9.861 6.290 1.00 0.00 C ATOM 827 OE1 GLU A 54 74.010 10.926 6.928 1.00 0.00 O ATOM 828 OE2 GLU A 54 74.497 8.817 6.588 1.00 0.00 O ATOM 0 H GLU A 54 73.643 7.949 4.148 1.00 0.00 H new ATOM 0 HA GLU A 54 74.651 9.653 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.872 11.392 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.711 10.461 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 54 72.027 10.404 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.596 8.802 4.949 1.00 0.00 H new ATOM 835 N THR A 55 76.495 9.385 4.794 1.00 0.00 N ATOM 836 CA THR A 55 77.801 9.696 5.354 1.00 0.00 C ATOM 837 C THR A 55 78.919 9.205 4.443 1.00 0.00 C ATOM 838 O THR A 55 80.094 9.472 4.681 1.00 0.00 O ATOM 839 CB THR A 55 77.960 9.078 6.754 1.00 0.00 C ATOM 840 OG1 THR A 55 77.219 7.854 6.828 1.00 0.00 O ATOM 841 CG2 THR A 55 77.478 10.037 7.830 1.00 0.00 C ATOM 0 H THR A 55 76.005 8.630 5.274 1.00 0.00 H new ATOM 0 HA THR A 55 77.871 10.780 5.438 1.00 0.00 H new ATOM 0 HB THR A 55 79.018 8.877 6.924 1.00 0.00 H new ATOM 0 HG1 THR A 55 77.323 7.462 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.601 9.576 8.810 1.00 0.00 H new ATOM 0 HG22 THR A 55 78.061 10.957 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 55 76.425 10.267 7.667 1.00 0.00 H new ATOM 849 N GLY A 56 78.538 8.483 3.396 1.00 0.00 N ATOM 850 CA GLY A 56 79.502 8.024 2.418 1.00 0.00 C ATOM 851 C GLY A 56 80.188 6.742 2.831 1.00 0.00 C ATOM 852 O GLY A 56 81.218 6.373 2.265 1.00 0.00 O ATOM 0 H GLY A 56 77.574 8.207 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 56 78.999 7.871 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.253 8.799 2.263 1.00 0.00 H new ATOM 856 N ASP A 57 79.624 6.062 3.818 1.00 0.00 N ATOM 857 CA ASP A 57 80.183 4.801 4.281 1.00 0.00 C ATOM 858 C ASP A 57 79.390 3.641 3.702 1.00 0.00 C ATOM 859 O ASP A 57 78.173 3.569 3.866 1.00 0.00 O ATOM 860 CB ASP A 57 80.183 4.733 5.811 1.00 0.00 C ATOM 861 CG ASP A 57 80.846 3.473 6.333 1.00 0.00 C ATOM 862 OD1 ASP A 57 82.020 3.224 5.980 1.00 0.00 O ATOM 863 OD2 ASP A 57 80.200 2.725 7.100 1.00 0.00 O ATOM 0 H ASP A 57 78.783 6.361 4.312 1.00 0.00 H new ATOM 0 HA ASP A 57 81.216 4.734 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.700 5.605 6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.156 4.777 6.174 1.00 0.00 H new ATOM 868 N ILE A 58 80.079 2.752 3.008 1.00 0.00 N ATOM 869 CA ILE A 58 79.437 1.613 2.375 1.00 0.00 C ATOM 870 C ILE A 58 79.414 0.432 3.330 1.00 0.00 C ATOM 871 O ILE A 58 80.459 -0.013 3.804 1.00 0.00 O ATOM 872 CB ILE A 58 80.165 1.201 1.076 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.272 2.397 0.126 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.437 0.043 0.401 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.039 2.101 -1.147 1.00 0.00 C ATOM 0 H ILE A 58 81.088 2.798 2.868 1.00 0.00 H new ATOM 0 HA ILE A 58 78.419 1.908 2.121 1.00 0.00 H new ATOM 0 HB ILE A 58 81.172 0.870 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.268 2.732 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.758 3.221 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 58 79.963 -0.235 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.408 -0.812 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.419 0.347 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.072 2.996 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.055 1.795 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.543 1.299 -1.693 1.00 0.00 H new ATOM 887 N THR A 59 78.222 -0.054 3.626 1.00 0.00 N ATOM 888 CA THR A 59 78.064 -1.186 4.521 1.00 0.00 C ATOM 889 C THR A 59 77.158 -2.236 3.886 1.00 0.00 C ATOM 890 O THR A 59 76.254 -1.912 3.114 1.00 0.00 O ATOM 891 CB THR A 59 77.484 -0.742 5.877 1.00 0.00 C ATOM 892 OG1 THR A 59 78.165 0.434 6.321 1.00 0.00 O ATOM 893 CG2 THR A 59 77.639 -1.836 6.925 1.00 0.00 C ATOM 0 H THR A 59 77.347 0.319 3.258 1.00 0.00 H new ATOM 0 HA THR A 59 79.049 -1.620 4.695 1.00 0.00 H new ATOM 0 HB THR A 59 76.422 -0.537 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.667 0.841 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 59 77.221 -1.495 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 59 77.111 -2.731 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.696 -2.066 7.057 1.00 0.00 H new ATOM 901 N TYR A 60 77.423 -3.493 4.190 1.00 0.00 N ATOM 902 CA TYR A 60 76.644 -4.589 3.647 1.00 0.00 C ATOM 903 C TYR A 60 75.477 -4.894 4.574 1.00 0.00 C ATOM 904 O TYR A 60 75.671 -5.069 5.776 1.00 0.00 O ATOM 905 CB TYR A 60 77.530 -5.826 3.484 1.00 0.00 C ATOM 906 CG TYR A 60 78.876 -5.528 2.857 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.977 -5.086 1.543 1.00 0.00 C ATOM 908 CD2 TYR A 60 80.046 -5.681 3.587 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.204 -4.811 0.977 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.277 -5.404 3.028 1.00 0.00 C ATOM 911 CZ TYR A 60 81.352 -4.970 1.723 1.00 0.00 C ATOM 912 OH TYR A 60 82.577 -4.692 1.162 1.00 0.00 O ATOM 0 H TYR A 60 78.177 -3.781 4.814 1.00 0.00 H new ATOM 0 HA TYR A 60 76.255 -4.307 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.687 -6.282 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 60 77.007 -6.559 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.080 -4.956 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.992 -6.023 4.610 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.265 -4.472 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 60 82.178 -5.527 3.611 1.00 0.00 H new ATOM 0 HH TYR A 60 83.283 -4.855 1.822 1.00 0.00 H new ATOM 922 N PHE A 61 74.271 -4.944 4.026 1.00 0.00 N ATOM 923 CA PHE A 61 73.086 -5.178 4.833 1.00 0.00 C ATOM 924 C PHE A 61 72.240 -6.281 4.228 1.00 0.00 C ATOM 925 O PHE A 61 72.490 -6.739 3.109 1.00 0.00 O ATOM 926 CB PHE A 61 72.248 -3.901 4.959 1.00 0.00 C ATOM 927 CG PHE A 61 72.925 -2.795 5.716 1.00 0.00 C ATOM 928 CD1 PHE A 61 73.042 -2.854 7.096 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.436 -1.694 5.052 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.659 -1.837 7.796 1.00 0.00 C ATOM 931 CE2 PHE A 61 74.054 -0.675 5.746 1.00 0.00 C ATOM 932 CZ PHE A 61 74.164 -0.746 7.120 1.00 0.00 C ATOM 0 H PHE A 61 74.089 -4.826 3.029 1.00 0.00 H new ATOM 0 HA PHE A 61 73.415 -5.482 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.998 -3.543 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.308 -4.144 5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.646 -3.705 7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.350 -1.632 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.746 -1.895 8.871 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.451 0.177 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.645 0.052 7.665 1.00 0.00 H new ATOM 942 N LYS A 62 71.242 -6.710 4.972 1.00 0.00 N ATOM 943 CA LYS A 62 70.312 -7.699 4.489 1.00 0.00 C ATOM 944 C LYS A 62 68.949 -7.043 4.300 1.00 0.00 C ATOM 945 O LYS A 62 68.715 -5.942 4.796 1.00 0.00 O ATOM 946 CB LYS A 62 70.237 -8.878 5.464 1.00 0.00 C ATOM 947 CG LYS A 62 69.586 -10.110 4.870 1.00 0.00 C ATOM 948 CD LYS A 62 69.537 -11.266 5.852 1.00 0.00 C ATOM 949 CE LYS A 62 68.826 -12.462 5.245 1.00 0.00 C ATOM 950 NZ LYS A 62 69.469 -12.926 3.985 1.00 0.00 N ATOM 0 H LYS A 62 71.057 -6.384 5.920 1.00 0.00 H new ATOM 0 HA LYS A 62 70.649 -8.092 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 62 71.244 -9.132 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 69.679 -8.573 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 62 68.573 -9.865 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 62 70.136 -10.415 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.550 -11.547 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 62 69.022 -10.955 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.815 -13.279 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 62 67.787 -12.200 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 69.034 -13.821 3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 69.337 -12.209 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 70.486 -13.073 4.148 1.00 0.00 H new ATOM 964 N GLU A 63 68.066 -7.715 3.578 1.00 0.00 N ATOM 965 CA GLU A 63 66.764 -7.152 3.219 1.00 0.00 C ATOM 966 C GLU A 63 65.928 -6.793 4.455 1.00 0.00 C ATOM 967 O GLU A 63 65.142 -5.845 4.431 1.00 0.00 O ATOM 968 CB GLU A 63 66.009 -8.151 2.344 1.00 0.00 C ATOM 969 CG GLU A 63 64.748 -7.592 1.712 1.00 0.00 C ATOM 970 CD GLU A 63 64.089 -8.580 0.777 1.00 0.00 C ATOM 971 OE1 GLU A 63 64.744 -9.000 -0.198 1.00 0.00 O ATOM 972 OE2 GLU A 63 62.915 -8.940 1.013 1.00 0.00 O ATOM 0 H GLU A 63 68.225 -8.659 3.225 1.00 0.00 H new ATOM 0 HA GLU A 63 66.936 -6.226 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 63 66.674 -8.501 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.746 -9.020 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 63 64.044 -7.312 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.992 -6.682 1.163 1.00 0.00 H new ATOM 979 N HIS A 64 66.116 -7.540 5.533 1.00 0.00 N ATOM 980 CA HIS A 64 65.336 -7.346 6.752 1.00 0.00 C ATOM 981 C HIS A 64 65.766 -6.071 7.477 1.00 0.00 C ATOM 982 O HIS A 64 64.997 -5.482 8.241 1.00 0.00 O ATOM 983 CB HIS A 64 65.514 -8.564 7.664 1.00 0.00 C ATOM 984 CG HIS A 64 64.616 -8.580 8.863 1.00 0.00 C ATOM 985 ND1 HIS A 64 63.318 -9.036 8.820 1.00 0.00 N ATOM 986 CD2 HIS A 64 64.843 -8.219 10.149 1.00 0.00 C ATOM 987 CE1 HIS A 64 62.786 -8.957 10.026 1.00 0.00 C ATOM 988 NE2 HIS A 64 63.691 -8.465 10.854 1.00 0.00 N ATOM 0 H HIS A 64 66.805 -8.290 5.591 1.00 0.00 H new ATOM 0 HA HIS A 64 64.284 -7.240 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.336 -9.468 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 64 66.550 -8.601 8.001 1.00 0.00 H new ATOM 0 HD2 HIS A 64 65.761 -7.812 10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 64 61.780 -9.246 10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 64 63.556 -8.296 11.851 1.00 0.00 H new ATOM 997 N GLU A 65 66.987 -5.641 7.208 1.00 0.00 N ATOM 998 CA GLU A 65 67.588 -4.521 7.915 1.00 0.00 C ATOM 999 C GLU A 65 67.467 -3.230 7.112 1.00 0.00 C ATOM 1000 O GLU A 65 68.244 -2.295 7.307 1.00 0.00 O ATOM 1001 CB GLU A 65 69.065 -4.813 8.205 1.00 0.00 C ATOM 1002 CG GLU A 65 69.302 -5.855 9.294 1.00 0.00 C ATOM 1003 CD GLU A 65 68.620 -7.183 9.019 1.00 0.00 C ATOM 1004 OE1 GLU A 65 68.922 -7.807 7.982 1.00 0.00 O ATOM 1005 OE2 GLU A 65 67.774 -7.597 9.839 1.00 0.00 O ATOM 0 H GLU A 65 67.588 -6.056 6.496 1.00 0.00 H new ATOM 0 HA GLU A 65 67.051 -4.391 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.543 -5.152 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.556 -3.884 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.374 -6.021 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 65 68.945 -5.462 10.246 1.00 0.00 H new ATOM 1012 N LEU A 66 66.469 -3.157 6.245 1.00 0.00 N ATOM 1013 CA LEU A 66 66.297 -1.991 5.387 1.00 0.00 C ATOM 1014 C LEU A 66 64.839 -1.544 5.341 1.00 0.00 C ATOM 1015 O LEU A 66 63.926 -2.321 5.622 1.00 0.00 O ATOM 1016 CB LEU A 66 66.783 -2.299 3.966 1.00 0.00 C ATOM 1017 CG LEU A 66 68.274 -2.627 3.837 1.00 0.00 C ATOM 1018 CD1 LEU A 66 68.622 -3.010 2.405 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.120 -1.443 4.280 1.00 0.00 C ATOM 0 H LEU A 66 65.768 -3.887 6.116 1.00 0.00 H new ATOM 0 HA LEU A 66 66.893 -1.181 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.209 -3.140 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.561 -1.442 3.331 1.00 0.00 H new ATOM 0 HG LEU A 66 68.490 -3.477 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 66 69.686 -3.239 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.043 -3.886 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.386 -2.180 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.176 -1.694 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 66 68.892 -0.579 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.898 -1.207 5.321 1.00 0.00 H new ATOM 1031 N THR A 67 64.637 -0.274 5.023 1.00 0.00 N ATOM 1032 CA THR A 67 63.310 0.270 4.781 1.00 0.00 C ATOM 1033 C THR A 67 63.379 1.294 3.647 1.00 0.00 C ATOM 1034 O THR A 67 63.884 2.399 3.828 1.00 0.00 O ATOM 1035 CB THR A 67 62.727 0.916 6.059 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.682 -0.051 7.114 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.330 1.464 5.811 1.00 0.00 C ATOM 0 H THR A 67 65.389 0.408 4.926 1.00 0.00 H new ATOM 0 HA THR A 67 62.646 -0.546 4.493 1.00 0.00 H new ATOM 0 HB THR A 67 63.375 1.745 6.345 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.313 0.363 7.922 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.947 1.912 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.370 2.220 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.671 0.653 5.500 1.00 0.00 H new ATOM 1045 N PRO A 68 62.900 0.923 2.448 1.00 0.00 N ATOM 1046 CA PRO A 68 63.009 1.759 1.243 1.00 0.00 C ATOM 1047 C PRO A 68 62.186 3.043 1.315 1.00 0.00 C ATOM 1048 O PRO A 68 61.138 3.089 1.964 1.00 0.00 O ATOM 1049 CB PRO A 68 62.477 0.856 0.119 1.00 0.00 C ATOM 1050 CG PRO A 68 62.436 -0.521 0.697 1.00 0.00 C ATOM 1051 CD PRO A 68 62.211 -0.344 2.168 1.00 0.00 C ATOM 0 HA PRO A 68 64.035 2.096 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.486 1.175 -0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.126 0.895 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 68 61.636 -1.109 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.368 -1.052 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.150 -0.291 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.630 -1.169 2.744 1.00 0.00 H new ATOM 1059 N LEU A 69 62.672 4.080 0.639 1.00 0.00 N ATOM 1060 CA LEU A 69 61.964 5.353 0.559 1.00 0.00 C ATOM 1061 C LEU A 69 60.950 5.320 -0.588 1.00 0.00 C ATOM 1062 O LEU A 69 61.215 5.831 -1.677 1.00 0.00 O ATOM 1063 CB LEU A 69 62.953 6.507 0.339 1.00 0.00 C ATOM 1064 CG LEU A 69 64.038 6.676 1.410 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.075 7.692 0.960 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.429 7.105 2.733 1.00 0.00 C ATOM 0 H LEU A 69 63.559 4.063 0.136 1.00 0.00 H new ATOM 0 HA LEU A 69 61.439 5.513 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.441 6.362 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.387 7.436 0.273 1.00 0.00 H new ATOM 0 HG LEU A 69 64.527 5.712 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.837 7.800 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.540 7.352 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.592 8.654 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.218 7.218 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 69 62.912 8.056 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.719 6.349 3.069 1.00 0.00 H new ATOM 1078 N LYS A 70 59.808 4.688 -0.354 1.00 0.00 N ATOM 1079 CA LYS A 70 58.774 4.588 -1.375 1.00 0.00 C ATOM 1080 C LYS A 70 57.617 5.526 -1.062 1.00 0.00 C ATOM 1081 O LYS A 70 56.838 5.287 -0.139 1.00 0.00 O ATOM 1082 CB LYS A 70 58.271 3.144 -1.501 1.00 0.00 C ATOM 1083 CG LYS A 70 57.126 2.976 -2.492 1.00 0.00 C ATOM 1084 CD LYS A 70 56.732 1.517 -2.643 1.00 0.00 C ATOM 1085 CE LYS A 70 55.485 1.351 -3.499 1.00 0.00 C ATOM 1086 NZ LYS A 70 55.643 1.937 -4.859 1.00 0.00 N ATOM 0 H LYS A 70 59.574 4.238 0.531 1.00 0.00 H new ATOM 0 HA LYS A 70 59.211 4.884 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 70 59.100 2.506 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 70 57.945 2.796 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 70 56.265 3.554 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 70 57.421 3.377 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 70 57.557 0.963 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 70 56.556 1.085 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 70 55.249 0.291 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 70 54.640 1.824 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 54.800 1.724 -5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 55.757 2.968 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 56.483 1.529 -5.317 1.00 0.00 H new ATOM 1100 N GLY A 71 57.531 6.603 -1.821 1.00 0.00 N ATOM 1101 CA GLY A 71 56.441 7.542 -1.662 1.00 0.00 C ATOM 1102 C GLY A 71 55.929 8.033 -2.998 1.00 0.00 C ATOM 1103 O GLY A 71 54.746 8.337 -3.149 1.00 0.00 O ATOM 0 H GLY A 71 58.201 6.847 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 71 55.628 7.067 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 71 56.775 8.391 -1.066 1.00 0.00 H new ATOM 1107 N GLY A 72 56.826 8.102 -3.971 1.00 0.00 N ATOM 1108 CA GLY A 72 56.451 8.545 -5.295 1.00 0.00 C ATOM 1109 C GLY A 72 56.643 10.034 -5.476 1.00 0.00 C ATOM 1110 O GLY A 72 57.273 10.695 -4.644 1.00 0.00 O ATOM 0 H GLY A 72 57.811 7.858 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 72 57.045 8.011 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 72 55.407 8.290 -5.479 1.00 0.00 H new ATOM 1114 N LEU A 73 56.099 10.571 -6.555 1.00 0.00 N ATOM 1115 CA LEU A 73 56.233 11.990 -6.843 1.00 0.00 C ATOM 1116 C LEU A 73 55.085 12.772 -6.222 1.00 0.00 C ATOM 1117 O LEU A 73 54.193 13.250 -6.920 1.00 0.00 O ATOM 1118 CB LEU A 73 56.296 12.253 -8.354 1.00 0.00 C ATOM 1119 CG LEU A 73 57.632 11.925 -9.036 1.00 0.00 C ATOM 1120 CD1 LEU A 73 58.779 12.635 -8.331 1.00 0.00 C ATOM 1121 CD2 LEU A 73 57.874 10.423 -9.081 1.00 0.00 C ATOM 0 H LEU A 73 55.561 10.047 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 73 57.171 12.328 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 73 55.511 11.672 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.069 13.304 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 73 57.582 12.284 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 73 59.718 12.391 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 73 58.618 13.712 -8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.824 12.311 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 73 58.828 10.223 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.896 10.027 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.072 9.942 -9.640 1.00 0.00 H new ATOM 1133 N ALA A 74 55.100 12.866 -4.902 1.00 0.00 N ATOM 1134 CA ALA A 74 54.087 13.621 -4.180 1.00 0.00 C ATOM 1135 C ALA A 74 54.548 15.056 -3.962 1.00 0.00 C ATOM 1136 O ALA A 74 53.767 15.998 -4.102 1.00 0.00 O ATOM 1137 CB ALA A 74 53.773 12.951 -2.850 1.00 0.00 C ATOM 0 H ALA A 74 55.804 12.428 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 74 53.176 13.640 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 74 53.014 13.528 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 74 53.402 11.942 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 74 54.678 12.903 -2.244 1.00 0.00 H new ATOM 1143 N TYR A 75 55.833 15.206 -3.615 1.00 0.00 N ATOM 1144 CA TYR A 75 56.449 16.517 -3.389 1.00 0.00 C ATOM 1145 C TYR A 75 55.882 17.176 -2.124 1.00 0.00 C ATOM 1146 O TYR A 75 56.136 18.349 -1.841 1.00 0.00 O ATOM 1147 CB TYR A 75 56.258 17.410 -4.630 1.00 0.00 C ATOM 1148 CG TYR A 75 56.943 18.758 -4.552 1.00 0.00 C ATOM 1149 CD1 TYR A 75 58.326 18.855 -4.471 1.00 0.00 C ATOM 1150 CD2 TYR A 75 56.200 19.930 -4.562 1.00 0.00 C ATOM 1151 CE1 TYR A 75 58.949 20.085 -4.397 1.00 0.00 C ATOM 1152 CE2 TYR A 75 56.816 21.163 -4.491 1.00 0.00 C ATOM 1153 CZ TYR A 75 58.189 21.234 -4.408 1.00 0.00 C ATOM 1154 OH TYR A 75 58.806 22.461 -4.335 1.00 0.00 O ATOM 0 H TYR A 75 56.473 14.422 -3.484 1.00 0.00 H new ATOM 0 HA TYR A 75 57.519 16.383 -3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 75 56.632 16.878 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 75 55.191 17.569 -4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 75 58.923 17.955 -4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 75 55.123 19.876 -4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 75 60.025 20.146 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 75 56.225 22.067 -4.500 1.00 0.00 H new ATOM 0 HH TYR A 75 58.129 23.169 -4.355 1.00 0.00 H new ATOM 1164 N VAL A 76 55.143 16.402 -1.340 1.00 0.00 N ATOM 1165 CA VAL A 76 54.556 16.911 -0.110 1.00 0.00 C ATOM 1166 C VAL A 76 55.591 16.922 1.011 1.00 0.00 C ATOM 1167 O VAL A 76 55.751 15.932 1.728 1.00 0.00 O ATOM 1168 CB VAL A 76 53.332 16.080 0.333 1.00 0.00 C ATOM 1169 CG1 VAL A 76 52.662 16.710 1.549 1.00 0.00 C ATOM 1170 CG2 VAL A 76 52.336 15.934 -0.808 1.00 0.00 C ATOM 0 H VAL A 76 54.937 15.422 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 76 54.222 17.928 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 76 53.682 15.086 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 76 51.802 16.108 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 76 53.373 16.755 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 76 52.331 17.718 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 76 51.482 15.345 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 76 51.995 16.921 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 76 52.816 15.432 -1.648 1.00 0.00 H new ATOM 1180 N LEU A 77 56.317 18.037 1.112 1.00 0.00 N ATOM 1181 CA LEU A 77 57.314 18.255 2.165 1.00 0.00 C ATOM 1182 C LEU A 77 58.531 17.336 2.020 1.00 0.00 C ATOM 1183 O LEU A 77 58.414 16.145 1.717 1.00 0.00 O ATOM 1184 CB LEU A 77 56.690 18.082 3.554 1.00 0.00 C ATOM 1185 CG LEU A 77 55.568 19.066 3.893 1.00 0.00 C ATOM 1186 CD1 LEU A 77 55.016 18.787 5.283 1.00 0.00 C ATOM 1187 CD2 LEU A 77 56.070 20.499 3.793 1.00 0.00 C ATOM 0 H LEU A 77 56.230 18.819 0.463 1.00 0.00 H new ATOM 0 HA LEU A 77 57.663 19.282 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 77 56.299 17.068 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 77 57.476 18.181 4.302 1.00 0.00 H new ATOM 0 HG LEU A 77 54.762 18.933 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 77 54.219 19.496 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 77 54.620 17.772 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 77 55.813 18.892 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 77 55.260 21.186 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 77 56.893 20.646 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 56.417 20.693 2.778 1.00 0.00 H new ATOM 1199 N GLU A 78 59.707 17.906 2.234 1.00 0.00 N ATOM 1200 CA GLU A 78 60.940 17.140 2.233 1.00 0.00 C ATOM 1201 C GLU A 78 61.067 16.360 3.539 1.00 0.00 C ATOM 1202 O GLU A 78 61.507 16.889 4.562 1.00 0.00 O ATOM 1203 CB GLU A 78 62.168 18.042 2.010 1.00 0.00 C ATOM 1204 CG GLU A 78 62.251 19.255 2.934 1.00 0.00 C ATOM 1205 CD GLU A 78 61.426 20.428 2.453 1.00 0.00 C ATOM 1206 OE1 GLU A 78 60.201 20.443 2.685 1.00 0.00 O ATOM 1207 OE2 GLU A 78 62.002 21.347 1.837 1.00 0.00 O ATOM 0 H GLU A 78 59.832 18.903 2.411 1.00 0.00 H new ATOM 0 HA GLU A 78 60.904 16.436 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 78 63.069 17.443 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 78 62.162 18.390 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 61.916 18.968 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 78 63.292 19.564 3.024 1.00 0.00 H new ATOM 1214 N HIS A 79 60.644 15.107 3.502 1.00 0.00 N ATOM 1215 CA HIS A 79 60.657 14.258 4.683 1.00 0.00 C ATOM 1216 C HIS A 79 62.082 13.915 5.088 1.00 0.00 C ATOM 1217 O HIS A 79 62.865 13.432 4.273 1.00 0.00 O ATOM 1218 CB HIS A 79 59.844 12.988 4.439 1.00 0.00 C ATOM 1219 CG HIS A 79 58.365 13.204 4.555 1.00 0.00 C ATOM 1220 ND1 HIS A 79 57.583 13.687 3.526 1.00 0.00 N ATOM 1221 CD2 HIS A 79 57.527 13.014 5.599 1.00 0.00 C ATOM 1222 CE1 HIS A 79 56.333 13.784 3.938 1.00 0.00 C ATOM 1223 NE2 HIS A 79 56.270 13.384 5.193 1.00 0.00 N ATOM 0 H HIS A 79 60.285 14.653 2.662 1.00 0.00 H new ATOM 0 HA HIS A 79 60.196 14.808 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 79 60.072 12.603 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 79 60.151 12.225 5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 79 57.798 12.639 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 79 55.500 14.133 3.346 1.00 0.00 H new ATOM 0 HE2 HIS A 79 55.427 13.355 5.766 1.00 0.00 H new ATOM 1232 N HIS A 80 62.387 14.176 6.363 1.00 0.00 N ATOM 1233 CA HIS A 80 63.729 14.014 6.940 1.00 0.00 C ATOM 1234 C HIS A 80 64.833 14.494 5.995 1.00 0.00 C ATOM 1235 O HIS A 80 65.836 13.806 5.796 1.00 0.00 O ATOM 1236 CB HIS A 80 63.991 12.571 7.422 1.00 0.00 C ATOM 1237 CG HIS A 80 63.809 11.483 6.402 1.00 0.00 C ATOM 1238 ND1 HIS A 80 64.595 11.354 5.281 1.00 0.00 N ATOM 1239 CD2 HIS A 80 62.944 10.445 6.373 1.00 0.00 C ATOM 1240 CE1 HIS A 80 64.225 10.277 4.611 1.00 0.00 C ATOM 1241 NE2 HIS A 80 63.227 9.702 5.254 1.00 0.00 N ATOM 0 H HIS A 80 61.698 14.512 7.036 1.00 0.00 H new ATOM 0 HA HIS A 80 63.757 14.658 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 80 65.012 12.517 7.801 1.00 0.00 H new ATOM 0 HB3 HIS A 80 63.328 12.366 8.263 1.00 0.00 H new ATOM 0 HD1 HIS A 80 65.345 11.989 5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 80 62.171 10.238 7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 80 64.666 9.926 3.690 1.00 0.00 H new ATOM 1250 N HIS A 81 64.629 15.694 5.444 1.00 0.00 N ATOM 1251 CA HIS A 81 65.601 16.361 4.569 1.00 0.00 C ATOM 1252 C HIS A 81 65.766 15.649 3.231 1.00 0.00 C ATOM 1253 O HIS A 81 66.343 14.564 3.155 1.00 0.00 O ATOM 1254 CB HIS A 81 66.973 16.498 5.244 1.00 0.00 C ATOM 1255 CG HIS A 81 66.983 17.388 6.447 1.00 0.00 C ATOM 1256 ND1 HIS A 81 67.210 18.747 6.380 1.00 0.00 N ATOM 1257 CD2 HIS A 81 66.804 17.103 7.758 1.00 0.00 C ATOM 1258 CE1 HIS A 81 67.175 19.255 7.597 1.00 0.00 C ATOM 1259 NE2 HIS A 81 66.929 18.279 8.450 1.00 0.00 N ATOM 0 H HIS A 81 63.778 16.236 5.593 1.00 0.00 H new ATOM 0 HA HIS A 81 65.195 17.355 4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 81 67.321 15.507 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 81 67.686 16.884 4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 81 66.601 16.130 8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 81 67.323 20.294 7.852 1.00 0.00 H new ATOM 0 HE2 HIS A 81 66.845 18.383 9.461 1.00 0.00 H new ATOM 1268 N HIS A 82 65.249 16.271 2.181 1.00 0.00 N ATOM 1269 CA HIS A 82 65.510 15.831 0.816 1.00 0.00 C ATOM 1270 C HIS A 82 65.043 16.880 -0.180 1.00 0.00 C ATOM 1271 O HIS A 82 63.863 16.946 -0.525 1.00 0.00 O ATOM 1272 CB HIS A 82 64.845 14.484 0.497 1.00 0.00 C ATOM 1273 CG HIS A 82 65.110 14.020 -0.909 1.00 0.00 C ATOM 1274 ND1 HIS A 82 66.286 13.424 -1.295 1.00 0.00 N ATOM 1275 CD2 HIS A 82 64.361 14.122 -2.032 1.00 0.00 C ATOM 1276 CE1 HIS A 82 66.249 13.176 -2.589 1.00 0.00 C ATOM 1277 NE2 HIS A 82 65.093 13.593 -3.069 1.00 0.00 N ATOM 0 H HIS A 82 64.642 17.088 2.249 1.00 0.00 H new ATOM 0 HA HIS A 82 66.588 15.696 0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 82 65.207 13.731 1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 82 63.769 14.570 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 82 63.369 14.543 -2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 82 67.036 12.708 -3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 82 64.794 13.533 -4.042 1.00 0.00 H new ATOM 1286 N HIS A 83 65.965 17.707 -0.624 1.00 0.00 N ATOM 1287 CA HIS A 83 65.674 18.673 -1.666 1.00 0.00 C ATOM 1288 C HIS A 83 66.255 18.174 -2.982 1.00 0.00 C ATOM 1289 O HIS A 83 67.464 17.975 -3.081 1.00 0.00 O ATOM 1290 CB HIS A 83 66.264 20.040 -1.304 1.00 0.00 C ATOM 1291 CG HIS A 83 65.797 21.157 -2.189 1.00 0.00 C ATOM 1292 ND1 HIS A 83 64.861 22.088 -1.795 1.00 0.00 N ATOM 1293 CD2 HIS A 83 66.147 21.493 -3.451 1.00 0.00 C ATOM 1294 CE1 HIS A 83 64.654 22.946 -2.775 1.00 0.00 C ATOM 1295 NE2 HIS A 83 65.423 22.608 -3.792 1.00 0.00 N ATOM 0 H HIS A 83 66.925 17.731 -0.280 1.00 0.00 H new ATOM 0 HA HIS A 83 64.595 18.786 -1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 83 66.005 20.275 -0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 83 67.351 19.980 -1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 83 66.863 20.979 -4.075 1.00 0.00 H new ATOM 0 HE1 HIS A 83 63.971 23.783 -2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 83 65.472 23.096 -4.686 1.00 0.00 H new ATOM 1304 N HIS A 84 65.384 17.956 -3.971 1.00 0.00 N ATOM 1305 CA HIS A 84 65.794 17.446 -5.284 1.00 0.00 C ATOM 1306 C HIS A 84 66.219 15.980 -5.178 1.00 0.00 C ATOM 1307 O HIS A 84 67.417 15.716 -4.965 1.00 0.00 O ATOM 1308 CB HIS A 84 66.924 18.309 -5.881 1.00 0.00 C ATOM 1309 CG HIS A 84 67.454 17.818 -7.194 1.00 0.00 C ATOM 1310 ND1 HIS A 84 68.704 17.258 -7.337 1.00 0.00 N ATOM 1311 CD2 HIS A 84 66.906 17.824 -8.431 1.00 0.00 C ATOM 1312 CE1 HIS A 84 68.901 16.942 -8.602 1.00 0.00 C ATOM 1313 NE2 HIS A 84 67.825 17.274 -9.289 1.00 0.00 N ATOM 1314 OXT HIS A 84 65.337 15.099 -5.292 1.00 0.00 O ATOM 0 H HIS A 84 64.382 18.126 -3.886 1.00 0.00 H new ATOM 0 HA HIS A 84 64.940 17.505 -5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 84 66.557 19.327 -6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 84 67.746 18.354 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 84 65.926 18.194 -8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 84 69.793 16.488 -9.007 1.00 0.00 H new ATOM 0 HE2 HIS A 84 67.697 17.143 -10.292 1.00 0.00 H new TER 1323 HIS A 84