USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 723 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 Single : A 5 GLN : amide:sc= -0.0839 X(o=-0.084,f=-0.47) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -122:sc= -6.22! USER MOD Single : A 15 SER OG : rot 103:sc= -0.628! USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.307 (180deg=-0.918) USER MOD Single : A 18 MET CE :methyl -167:sc= -2.46! (180deg=-3.68!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -58:sc= -0.0364 USER MOD Single : A 23 THR OG1 : rot 61:sc= -5.49! USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.932 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -19.2! C(o=-19!,f=-25!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.491 USER MOD Single : A 42 SER OG : rot -111:sc= -7.59! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 106:sc= -5.9! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -11.8! C(o=-12!,f=-15!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= -0.429 (180deg=-1.78!) USER MOD Single : A 63 MET CE :methyl -116:sc= -8.92! (180deg=-18.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -89:sc= -0.929! USER MOD Single : A 71 THR OG1 : rot 48:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.486) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 5 4.117 14.285 7.450 1.00 0.00 N ATOM 2 CA GLN A 5 4.913 13.461 6.497 1.00 0.00 C ATOM 3 C GLN A 5 4.610 13.903 5.063 1.00 0.00 C ATOM 4 O GLN A 5 3.481 14.186 4.717 1.00 0.00 O ATOM 5 CB GLN A 5 4.538 11.987 6.663 1.00 0.00 C ATOM 6 CG GLN A 5 5.190 11.433 7.932 1.00 0.00 C ATOM 7 CD GLN A 5 6.336 10.497 7.546 1.00 0.00 C ATOM 8 OE1 GLN A 5 6.171 9.628 6.713 1.00 0.00 O ATOM 9 NE2 GLN A 5 7.499 10.638 8.119 1.00 0.00 N ATOM 0 HA GLN A 5 5.975 13.593 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.455 11.881 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.867 11.417 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.565 12.250 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.452 10.896 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.638 11.367 8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.270 10.019 7.868 1.00 0.00 H new ATOM 20 N ARG A 6 5.610 13.962 4.224 1.00 0.00 N ATOM 21 CA ARG A 6 5.373 14.383 2.814 1.00 0.00 C ATOM 22 C ARG A 6 4.408 13.399 2.149 1.00 0.00 C ATOM 23 O ARG A 6 3.235 13.672 1.994 1.00 0.00 O ATOM 24 CB ARG A 6 6.701 14.389 2.051 1.00 0.00 C ATOM 25 CG ARG A 6 7.077 15.828 1.692 1.00 0.00 C ATOM 26 CD ARG A 6 8.526 15.872 1.205 1.00 0.00 C ATOM 27 NE ARG A 6 9.131 17.188 1.558 1.00 0.00 N ATOM 28 CZ ARG A 6 10.427 17.348 1.516 1.00 0.00 C ATOM 29 NH1 ARG A 6 11.200 16.354 1.169 1.00 0.00 N ATOM 30 NH2 ARG A 6 10.950 18.504 1.823 1.00 0.00 N ATOM 0 H ARG A 6 6.578 13.737 4.454 1.00 0.00 H new ATOM 0 HA ARG A 6 4.943 15.385 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.485 13.938 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.615 13.788 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.410 16.206 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.955 16.474 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.098 15.063 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.563 15.721 0.126 1.00 0.00 H new ATOM 0 HE ARG A 6 8.531 17.966 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.792 15.450 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.211 16.482 1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.347 19.280 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.962 18.631 1.791 1.00 0.00 H new ATOM 44 N LYS A 7 4.893 12.253 1.761 1.00 0.00 N ATOM 45 CA LYS A 7 4.008 11.247 1.112 1.00 0.00 C ATOM 46 C LYS A 7 4.297 9.872 1.710 1.00 0.00 C ATOM 47 O LYS A 7 4.762 9.775 2.820 1.00 0.00 O ATOM 48 CB LYS A 7 4.288 11.217 -0.392 1.00 0.00 C ATOM 49 CG LYS A 7 4.194 12.636 -0.957 1.00 0.00 C ATOM 50 CD LYS A 7 5.056 12.742 -2.217 1.00 0.00 C ATOM 51 CE LYS A 7 5.948 13.981 -2.121 1.00 0.00 C ATOM 52 NZ LYS A 7 5.744 14.837 -3.325 1.00 0.00 N ATOM 0 H LYS A 7 5.867 11.969 1.866 1.00 0.00 H new ATOM 0 HA LYS A 7 2.964 11.511 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.279 10.804 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.571 10.566 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.157 12.878 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.529 13.358 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.669 11.847 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.421 12.805 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.711 14.543 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.994 13.684 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.351 15.679 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.991 14.298 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.748 15.131 -3.377 1.00 0.00 H new ATOM 66 N VAL A 8 4.024 8.827 0.960 1.00 0.00 N ATOM 67 CA VAL A 8 4.262 7.402 1.399 1.00 0.00 C ATOM 68 C VAL A 8 2.938 6.781 1.831 1.00 0.00 C ATOM 69 O VAL A 8 1.882 7.158 1.373 1.00 0.00 O ATOM 70 CB VAL A 8 5.296 7.251 2.547 1.00 0.00 C ATOM 71 CG1 VAL A 8 6.559 8.091 2.304 1.00 0.00 C ATOM 72 CG2 VAL A 8 4.655 7.616 3.894 1.00 0.00 C ATOM 0 H VAL A 8 3.630 8.904 0.022 1.00 0.00 H new ATOM 0 HA VAL A 8 4.685 6.885 0.538 1.00 0.00 H new ATOM 0 HB VAL A 8 5.606 6.206 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.253 7.953 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.035 7.773 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.287 9.144 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.392 7.505 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.306 8.648 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.811 6.954 4.087 1.00 0.00 H new ATOM 82 N TYR A 9 3.013 5.837 2.721 1.00 0.00 N ATOM 83 CA TYR A 9 1.815 5.131 3.237 1.00 0.00 C ATOM 84 C TYR A 9 2.284 3.787 3.741 1.00 0.00 C ATOM 85 O TYR A 9 3.445 3.625 4.121 1.00 0.00 O ATOM 86 CB TYR A 9 0.734 4.923 2.158 1.00 0.00 C ATOM 87 CG TYR A 9 1.254 4.130 0.968 1.00 0.00 C ATOM 88 CD1 TYR A 9 1.276 2.715 0.966 1.00 0.00 C ATOM 89 CD2 TYR A 9 1.672 4.822 -0.173 1.00 0.00 C ATOM 90 CE1 TYR A 9 1.720 2.044 -0.165 1.00 0.00 C ATOM 91 CE2 TYR A 9 2.103 4.139 -1.302 1.00 0.00 C ATOM 92 CZ TYR A 9 2.130 2.757 -1.299 1.00 0.00 C ATOM 93 OH TYR A 9 2.537 2.066 -2.427 1.00 0.00 O ATOM 0 H TYR A 9 3.891 5.514 3.127 1.00 0.00 H new ATOM 0 HA TYR A 9 1.357 5.734 4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -0.118 4.402 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.373 5.893 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.951 2.163 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.659 5.902 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.750 0.964 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.416 4.685 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 9 3.453 2.327 -2.658 1.00 0.00 H new ATOM 103 N VAL A 10 1.432 2.806 3.749 1.00 0.00 N ATOM 104 CA VAL A 10 1.859 1.496 4.289 1.00 0.00 C ATOM 105 C VAL A 10 0.684 0.692 4.792 1.00 0.00 C ATOM 106 O VAL A 10 -0.343 1.219 5.170 1.00 0.00 O ATOM 107 CB VAL A 10 2.741 1.751 5.556 1.00 0.00 C ATOM 108 CG1 VAL A 10 2.275 3.013 6.292 1.00 0.00 C ATOM 109 CG2 VAL A 10 2.602 0.597 6.546 1.00 0.00 C ATOM 0 H VAL A 10 0.471 2.854 3.409 1.00 0.00 H new ATOM 0 HA VAL A 10 2.376 0.966 3.489 1.00 0.00 H new ATOM 0 HB VAL A 10 3.771 1.854 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.900 3.174 7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.356 3.873 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.237 2.891 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.222 0.791 7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.560 0.505 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.924 -0.330 6.072 1.00 0.00 H new ATOM 119 N GLY A 11 0.881 -0.603 4.896 1.00 0.00 N ATOM 120 CA GLY A 11 -0.197 -1.407 5.467 1.00 0.00 C ATOM 121 C GLY A 11 -0.644 -2.625 4.702 1.00 0.00 C ATOM 122 O GLY A 11 0.084 -3.551 4.450 1.00 0.00 O ATOM 0 H GLY A 11 1.722 -1.107 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.116 -1.731 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.063 -0.759 5.602 1.00 0.00 H new ATOM 126 N ARG A 12 -1.899 -2.645 4.442 1.00 0.00 N ATOM 127 CA ARG A 12 -2.541 -3.791 3.826 1.00 0.00 C ATOM 128 C ARG A 12 -1.687 -4.581 2.955 1.00 0.00 C ATOM 129 O ARG A 12 -1.001 -4.116 2.092 1.00 0.00 O ATOM 130 CB ARG A 12 -3.822 -3.364 3.106 1.00 0.00 C ATOM 131 CG ARG A 12 -5.028 -3.969 3.832 1.00 0.00 C ATOM 132 CD ARG A 12 -5.719 -4.994 2.931 1.00 0.00 C ATOM 133 NE ARG A 12 -6.363 -4.291 1.786 1.00 0.00 N ATOM 134 CZ ARG A 12 -6.782 -4.969 0.751 1.00 0.00 C ATOM 135 NH1 ARG A 12 -6.625 -6.265 0.707 1.00 0.00 N ATOM 136 NH2 ARG A 12 -7.358 -4.349 -0.243 1.00 0.00 N ATOM 0 H ARG A 12 -2.531 -1.871 4.645 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.787 -4.461 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.900 -2.277 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.800 -3.699 2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.705 -4.445 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.730 -3.182 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.994 -5.720 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.466 -5.548 3.499 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.477 -3.278 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.174 -6.751 1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.953 -6.791 -0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.480 -3.337 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.686 -4.877 -1.052 1.00 0.00 H new ATOM 150 N VAL A 13 -1.896 -5.838 3.147 1.00 0.00 N ATOM 151 CA VAL A 13 -1.321 -6.868 2.311 1.00 0.00 C ATOM 152 C VAL A 13 0.174 -7.142 2.502 1.00 0.00 C ATOM 153 O VAL A 13 0.493 -7.896 3.342 1.00 0.00 O ATOM 154 CB VAL A 13 -1.719 -6.580 0.875 1.00 0.00 C ATOM 155 CG1 VAL A 13 -2.360 -7.832 0.325 1.00 0.00 C ATOM 156 CG2 VAL A 13 -2.771 -5.459 0.797 1.00 0.00 C ATOM 0 H VAL A 13 -2.481 -6.199 3.901 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.738 -7.823 2.632 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.833 -6.276 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.660 -7.663 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.646 -8.654 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.237 -8.084 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.033 -5.278 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.662 -5.757 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.363 -4.546 1.232 1.00 0.00 H new ATOM 166 N VAL A 14 1.077 -6.684 1.671 1.00 0.00 N ATOM 167 CA VAL A 14 2.513 -7.095 1.807 1.00 0.00 C ATOM 168 C VAL A 14 2.697 -8.209 0.771 1.00 0.00 C ATOM 169 O VAL A 14 3.777 -8.527 0.309 1.00 0.00 O ATOM 170 CB VAL A 14 2.893 -7.531 3.237 1.00 0.00 C ATOM 171 CG1 VAL A 14 4.413 -7.463 3.385 1.00 0.00 C ATOM 172 CG2 VAL A 14 2.231 -6.583 4.266 1.00 0.00 C ATOM 0 H VAL A 14 0.884 -6.042 0.902 1.00 0.00 H new ATOM 0 HA VAL A 14 3.186 -6.257 1.624 1.00 0.00 H new ATOM 0 HB VAL A 14 2.546 -8.549 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.695 -7.769 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.879 -8.130 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.750 -6.442 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.502 -6.895 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.576 -5.563 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.148 -6.623 4.153 1.00 0.00 H new ATOM 182 N SER A 15 1.558 -8.702 0.375 1.00 0.00 N ATOM 183 CA SER A 15 1.361 -9.732 -0.665 1.00 0.00 C ATOM 184 C SER A 15 0.087 -9.229 -1.372 1.00 0.00 C ATOM 185 O SER A 15 -0.276 -8.107 -1.128 1.00 0.00 O ATOM 186 CB SER A 15 1.121 -11.093 -0.003 1.00 0.00 C ATOM 187 OG SER A 15 -0.165 -11.579 -0.362 1.00 0.00 O ATOM 0 H SER A 15 0.675 -8.392 0.780 1.00 0.00 H new ATOM 0 HA SER A 15 2.207 -9.867 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.888 -11.801 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.196 -11.000 1.080 1.00 0.00 H new ATOM 0 HG SER A 15 -0.072 -12.277 -1.043 1.00 0.00 H new ATOM 193 N ASP A 16 -0.605 -10.015 -2.177 1.00 0.00 N ATOM 194 CA ASP A 16 -1.896 -9.543 -2.850 1.00 0.00 C ATOM 195 C ASP A 16 -1.967 -10.028 -4.310 1.00 0.00 C ATOM 196 O ASP A 16 -3.039 -10.312 -4.804 1.00 0.00 O ATOM 197 CB ASP A 16 -2.085 -7.986 -2.840 1.00 0.00 C ATOM 198 CG ASP A 16 -1.979 -7.394 -4.255 1.00 0.00 C ATOM 199 OD1 ASP A 16 -2.998 -7.322 -4.923 1.00 0.00 O ATOM 200 OD2 ASP A 16 -0.882 -7.027 -4.642 1.00 0.00 O ATOM 0 H ASP A 16 -0.338 -10.972 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.698 -9.981 -2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.058 -7.740 -2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.331 -7.531 -2.197 1.00 0.00 H new ATOM 205 N LYS A 17 -0.854 -10.065 -5.010 1.00 0.00 N ATOM 206 CA LYS A 17 -0.846 -10.462 -6.439 1.00 0.00 C ATOM 207 C LYS A 17 -0.944 -9.184 -7.249 1.00 0.00 C ATOM 208 O LYS A 17 -1.582 -8.239 -6.841 1.00 0.00 O ATOM 209 CB LYS A 17 -2.021 -11.389 -6.767 1.00 0.00 C ATOM 210 CG LYS A 17 -1.612 -12.356 -7.875 1.00 0.00 C ATOM 211 CD LYS A 17 -2.522 -12.161 -9.087 1.00 0.00 C ATOM 212 CE LYS A 17 -2.236 -13.257 -10.112 1.00 0.00 C ATOM 213 NZ LYS A 17 -0.780 -13.576 -10.095 1.00 0.00 N ATOM 0 H LYS A 17 0.064 -9.830 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 17 0.065 -11.012 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.320 -11.944 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.884 -10.802 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.573 -12.184 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.680 -13.384 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.568 -12.197 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.353 -11.179 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.819 -14.149 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.537 -12.929 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.531 -14.108 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.231 -12.693 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.560 -14.150 -9.256 1.00 0.00 H new ATOM 227 N MET A 18 -0.291 -9.150 -8.373 1.00 0.00 N ATOM 228 CA MET A 18 -0.285 -7.927 -9.225 1.00 0.00 C ATOM 229 C MET A 18 0.958 -7.956 -10.104 1.00 0.00 C ATOM 230 O MET A 18 1.671 -6.984 -10.235 1.00 0.00 O ATOM 231 CB MET A 18 -0.270 -6.662 -8.345 1.00 0.00 C ATOM 232 CG MET A 18 -0.077 -5.418 -9.212 1.00 0.00 C ATOM 233 SD MET A 18 -1.671 -4.593 -9.447 1.00 0.00 S ATOM 234 CE MET A 18 -2.535 -5.982 -10.221 1.00 0.00 C ATOM 0 H MET A 18 0.249 -9.931 -8.746 1.00 0.00 H new ATOM 0 HA MET A 18 -1.183 -7.907 -9.843 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.205 -6.586 -7.789 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.533 -6.730 -7.611 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.630 -4.738 -8.738 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.346 -5.696 -10.177 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.468 -5.630 -10.661 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.906 -6.413 -11.000 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.752 -6.740 -9.469 1.00 0.00 H new ATOM 244 N ASP A 19 1.214 -9.085 -10.714 1.00 0.00 N ATOM 245 CA ASP A 19 2.404 -9.219 -11.599 1.00 0.00 C ATOM 246 C ASP A 19 3.563 -8.405 -11.031 1.00 0.00 C ATOM 247 O ASP A 19 4.426 -7.955 -11.759 1.00 0.00 O ATOM 248 CB ASP A 19 2.062 -8.702 -13.000 1.00 0.00 C ATOM 249 CG ASP A 19 1.111 -9.680 -13.691 1.00 0.00 C ATOM 250 OD1 ASP A 19 0.774 -10.681 -13.081 1.00 0.00 O ATOM 251 OD2 ASP A 19 0.734 -9.411 -14.821 1.00 0.00 O ATOM 0 H ASP A 19 0.642 -9.926 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 19 2.691 -10.269 -11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.600 -7.717 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.972 -8.587 -13.588 1.00 0.00 H new ATOM 256 N LYS A 20 3.600 -8.209 -9.738 1.00 0.00 N ATOM 257 CA LYS A 20 4.716 -7.423 -9.166 1.00 0.00 C ATOM 258 C LYS A 20 5.383 -8.304 -8.145 1.00 0.00 C ATOM 259 O LYS A 20 6.531 -8.657 -8.284 1.00 0.00 O ATOM 260 CB LYS A 20 4.178 -6.157 -8.504 1.00 0.00 C ATOM 261 CG LYS A 20 3.848 -5.127 -9.586 1.00 0.00 C ATOM 262 CD LYS A 20 5.146 -4.553 -10.155 1.00 0.00 C ATOM 263 CE LYS A 20 4.831 -3.689 -11.377 1.00 0.00 C ATOM 264 NZ LYS A 20 5.954 -3.780 -12.352 1.00 0.00 N ATOM 0 H LYS A 20 2.914 -8.556 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 20 5.422 -7.117 -9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.287 -6.388 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.916 -5.752 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.264 -5.592 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.237 -4.327 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.655 -3.958 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.822 -5.361 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.903 -4.022 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.681 -2.653 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.740 -3.193 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.830 -3.442 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.076 -4.769 -12.649 1.00 0.00 H new ATOM 278 N THR A 21 4.629 -8.688 -7.150 1.00 0.00 N ATOM 279 CA THR A 21 5.150 -9.635 -6.094 1.00 0.00 C ATOM 280 C THR A 21 5.638 -8.911 -4.842 1.00 0.00 C ATOM 281 O THR A 21 6.738 -8.406 -4.801 1.00 0.00 O ATOM 282 CB THR A 21 6.267 -10.546 -6.628 1.00 0.00 C ATOM 283 OG1 THR A 21 7.495 -9.832 -6.673 1.00 0.00 O ATOM 284 CG2 THR A 21 5.898 -11.062 -8.023 1.00 0.00 C ATOM 0 H THR A 21 3.664 -8.389 -7.014 1.00 0.00 H new ATOM 0 HA THR A 21 4.296 -10.254 -5.819 1.00 0.00 H new ATOM 0 HB THR A 21 6.383 -11.399 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.393 -9.041 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.694 -11.707 -8.395 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.969 -11.629 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.768 -10.218 -8.701 1.00 0.00 H new ATOM 292 N ILE A 22 4.819 -8.890 -3.826 1.00 0.00 N ATOM 293 CA ILE A 22 5.185 -8.232 -2.523 1.00 0.00 C ATOM 294 C ILE A 22 4.772 -6.767 -2.587 1.00 0.00 C ATOM 295 O ILE A 22 4.682 -6.235 -3.662 1.00 0.00 O ATOM 296 CB ILE A 22 6.704 -8.357 -2.272 1.00 0.00 C ATOM 297 CG1 ILE A 22 6.958 -8.529 -0.773 1.00 0.00 C ATOM 298 CG2 ILE A 22 7.446 -7.105 -2.767 1.00 0.00 C ATOM 299 CD1 ILE A 22 8.225 -9.359 -0.562 1.00 0.00 C ATOM 0 H ILE A 22 3.889 -9.309 -3.838 1.00 0.00 H new ATOM 0 HA ILE A 22 4.666 -8.722 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 22 7.074 -9.223 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.066 -7.554 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.106 -9.020 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.514 -7.217 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.277 -6.981 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.074 -6.228 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.406 -9.482 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.099 -10.338 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.074 -8.849 -1.018 1.00 0.00 H new ATOM 311 N THR A 23 4.550 -6.117 -1.457 1.00 0.00 N ATOM 312 CA THR A 23 4.139 -4.660 -1.469 1.00 0.00 C ATOM 313 C THR A 23 3.175 -4.330 -0.331 1.00 0.00 C ATOM 314 O THR A 23 3.606 -4.005 0.728 1.00 0.00 O ATOM 315 CB THR A 23 3.441 -4.310 -2.778 1.00 0.00 C ATOM 316 OG1 THR A 23 4.384 -4.263 -3.841 1.00 0.00 O ATOM 317 CG2 THR A 23 2.807 -2.932 -2.680 1.00 0.00 C ATOM 0 H THR A 23 4.635 -6.530 -0.528 1.00 0.00 H new ATOM 0 HA THR A 23 5.055 -4.081 -1.350 1.00 0.00 H new ATOM 0 HB THR A 23 2.685 -5.072 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.810 -5.140 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.311 -2.692 -3.621 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.076 -2.925 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.579 -2.190 -2.477 1.00 0.00 H new ATOM 325 N VAL A 24 1.891 -4.361 -0.539 1.00 0.00 N ATOM 326 CA VAL A 24 0.944 -3.920 0.551 1.00 0.00 C ATOM 327 C VAL A 24 -0.366 -3.554 -0.153 1.00 0.00 C ATOM 328 O VAL A 24 -0.813 -4.265 -1.024 1.00 0.00 O ATOM 329 CB VAL A 24 1.600 -2.665 1.298 1.00 0.00 C ATOM 330 CG1 VAL A 24 1.981 -1.618 0.269 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.739 -1.960 2.415 1.00 0.00 C ATOM 0 H VAL A 24 1.447 -4.668 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 24 0.753 -4.687 1.302 1.00 0.00 H new ATOM 0 HB VAL A 24 2.452 -3.093 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.428 -0.760 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.699 -2.042 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.090 -1.298 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.302 -1.128 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.188 -1.587 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.506 -2.677 3.202 1.00 0.00 H new ATOM 341 N LEU A 25 -0.973 -2.523 0.254 1.00 0.00 N ATOM 342 CA LEU A 25 -2.278 -2.064 -0.242 1.00 0.00 C ATOM 343 C LEU A 25 -2.864 -1.443 0.979 1.00 0.00 C ATOM 344 O LEU A 25 -2.304 -1.589 2.052 1.00 0.00 O ATOM 345 CB LEU A 25 -3.199 -3.191 -0.762 1.00 0.00 C ATOM 346 CG LEU A 25 -3.937 -2.746 -2.022 1.00 0.00 C ATOM 347 CD1 LEU A 25 -3.961 -3.899 -3.028 1.00 0.00 C ATOM 348 CD2 LEU A 25 -5.374 -2.356 -1.669 1.00 0.00 C ATOM 0 H LEU A 25 -0.589 -1.916 0.979 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.172 -1.407 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.608 -4.081 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.919 -3.465 0.010 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.425 -1.887 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.487 -3.585 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.939 -4.180 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.473 -4.755 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.897 -2.039 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.887 -3.214 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.363 -1.537 -0.950 1.00 0.00 H new ATOM 360 N VAL A 26 -3.907 -0.698 0.870 1.00 0.00 N ATOM 361 CA VAL A 26 -4.313 0.060 2.059 1.00 0.00 C ATOM 362 C VAL A 26 -5.489 0.972 1.657 1.00 0.00 C ATOM 363 O VAL A 26 -5.504 2.131 1.904 1.00 0.00 O ATOM 364 CB VAL A 26 -3.071 1.011 2.307 1.00 0.00 C ATOM 365 CG1 VAL A 26 -3.425 2.223 3.140 1.00 0.00 C ATOM 366 CG2 VAL A 26 -1.815 0.354 2.954 1.00 0.00 C ATOM 0 H VAL A 26 -4.482 -0.582 0.036 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.589 -0.566 2.907 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.804 1.289 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.538 2.840 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.194 2.803 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.799 1.900 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.033 1.104 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.079 -0.053 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.453 -0.449 2.312 1.00 0.00 H new ATOM 376 N GLU A 27 -6.520 0.357 1.094 1.00 0.00 N ATOM 377 CA GLU A 27 -7.804 1.058 0.707 1.00 0.00 C ATOM 378 C GLU A 27 -7.683 2.001 -0.519 1.00 0.00 C ATOM 379 O GLU A 27 -7.494 1.527 -1.621 1.00 0.00 O ATOM 380 CB GLU A 27 -8.373 1.789 1.923 1.00 0.00 C ATOM 381 CG GLU A 27 -9.266 0.829 2.714 1.00 0.00 C ATOM 382 CD GLU A 27 -8.419 0.050 3.724 1.00 0.00 C ATOM 383 OE1 GLU A 27 -7.580 -0.722 3.292 1.00 0.00 O ATOM 384 OE2 GLU A 27 -8.628 0.236 4.912 1.00 0.00 O ATOM 0 H GLU A 27 -6.521 -0.640 0.880 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.496 0.281 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.563 2.155 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.947 2.659 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.046 1.386 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.766 0.138 2.035 1.00 0.00 H new ATOM 391 N THR A 28 -7.839 3.315 -0.357 1.00 0.00 N ATOM 392 CA THR A 28 -7.779 4.271 -1.545 1.00 0.00 C ATOM 393 C THR A 28 -8.643 5.525 -1.312 1.00 0.00 C ATOM 394 O THR A 28 -9.810 5.437 -1.326 1.00 0.00 O ATOM 395 CB THR A 28 -8.393 3.582 -2.734 1.00 0.00 C ATOM 396 OG1 THR A 28 -8.740 4.549 -3.718 1.00 0.00 O ATOM 397 CG2 THR A 28 -9.645 2.875 -2.225 1.00 0.00 C ATOM 0 H THR A 28 -8.005 3.766 0.543 1.00 0.00 H new ATOM 0 HA THR A 28 -6.735 4.551 -1.690 1.00 0.00 H new ATOM 0 HB THR A 28 -7.702 2.873 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.138 4.099 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.131 2.357 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.368 2.153 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.331 3.609 -1.803 1.00 0.00 H new ATOM 405 N TYR A 29 -8.046 6.675 -1.138 1.00 0.00 N ATOM 406 CA TYR A 29 -8.794 8.013 -0.924 1.00 0.00 C ATOM 407 C TYR A 29 -8.689 8.575 0.521 1.00 0.00 C ATOM 408 O TYR A 29 -8.305 7.915 1.449 1.00 0.00 O ATOM 409 CB TYR A 29 -10.274 7.891 -1.312 1.00 0.00 C ATOM 410 CG TYR A 29 -11.047 9.148 -0.967 1.00 0.00 C ATOM 411 CD1 TYR A 29 -11.592 9.328 0.317 1.00 0.00 C ATOM 412 CD2 TYR A 29 -11.240 10.128 -1.944 1.00 0.00 C ATOM 413 CE1 TYR A 29 -12.322 10.486 0.611 1.00 0.00 C ATOM 414 CE2 TYR A 29 -11.966 11.285 -1.647 1.00 0.00 C ATOM 415 CZ TYR A 29 -12.505 11.466 -0.370 1.00 0.00 C ATOM 416 OH TYR A 29 -13.224 12.607 -0.079 1.00 0.00 O ATOM 0 H TYR A 29 -7.031 6.774 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.290 8.723 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.355 7.695 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.717 7.038 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.447 8.573 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.827 9.991 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.744 10.623 1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.111 12.040 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.255 13.185 -0.870 1.00 0.00 H new ATOM 426 N LYS A 30 -9.039 9.821 0.724 1.00 0.00 N ATOM 427 CA LYS A 30 -8.967 10.383 2.108 1.00 0.00 C ATOM 428 C LYS A 30 -9.623 9.379 3.063 1.00 0.00 C ATOM 429 O LYS A 30 -8.962 8.518 3.606 1.00 0.00 O ATOM 430 CB LYS A 30 -9.725 11.713 2.164 1.00 0.00 C ATOM 431 CG LYS A 30 -8.740 12.878 2.027 1.00 0.00 C ATOM 432 CD LYS A 30 -8.776 13.415 0.594 1.00 0.00 C ATOM 433 CE LYS A 30 -9.513 14.756 0.565 1.00 0.00 C ATOM 434 NZ LYS A 30 -8.558 15.841 0.200 1.00 0.00 N ATOM 0 H LYS A 30 -9.367 10.465 0.004 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.929 10.557 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.465 11.754 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.268 11.793 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.998 13.670 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.732 12.547 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.761 13.538 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.275 12.700 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.330 14.718 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.957 14.960 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.059 16.752 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.793 15.881 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.155 15.647 -0.739 1.00 0.00 H new ATOM 448 N LYS A 31 -10.923 9.483 3.234 1.00 0.00 N ATOM 449 CA LYS A 31 -11.697 8.543 4.117 1.00 0.00 C ATOM 450 C LYS A 31 -12.811 9.308 4.825 1.00 0.00 C ATOM 451 O LYS A 31 -13.873 8.772 5.054 1.00 0.00 O ATOM 452 CB LYS A 31 -10.805 7.886 5.177 1.00 0.00 C ATOM 453 CG LYS A 31 -11.674 7.041 6.112 1.00 0.00 C ATOM 454 CD LYS A 31 -11.507 7.525 7.554 1.00 0.00 C ATOM 455 CE LYS A 31 -12.633 6.949 8.417 1.00 0.00 C ATOM 456 NZ LYS A 31 -12.228 5.613 8.941 1.00 0.00 N ATOM 0 H LYS A 31 -11.495 10.199 2.787 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.108 7.760 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.051 7.261 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.273 8.649 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.720 7.112 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.391 5.991 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.538 7.213 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.528 8.614 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.853 7.624 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.546 6.859 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.994 5.223 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.040 4.971 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.368 5.712 9.517 1.00 0.00 H new ATOM 470 N HIS A 32 -12.571 10.549 5.175 1.00 0.00 N ATOM 471 CA HIS A 32 -13.610 11.362 5.880 1.00 0.00 C ATOM 472 C HIS A 32 -14.386 10.438 6.864 1.00 0.00 C ATOM 473 O HIS A 32 -13.819 9.453 7.296 1.00 0.00 O ATOM 474 CB HIS A 32 -14.462 12.097 4.811 1.00 0.00 C ATOM 475 CG HIS A 32 -15.423 11.196 4.074 1.00 0.00 C ATOM 476 ND1 HIS A 32 -15.895 9.995 4.575 1.00 0.00 N ATOM 477 CD2 HIS A 32 -16.023 11.339 2.844 1.00 0.00 C ATOM 478 CE1 HIS A 32 -16.719 9.477 3.671 1.00 0.00 C ATOM 479 NE2 HIS A 32 -16.840 10.248 2.593 1.00 0.00 N ATOM 0 H HIS A 32 -11.692 11.037 5.001 1.00 0.00 H new ATOM 0 HA HIS A 32 -13.191 12.149 6.507 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -15.025 12.895 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -13.795 12.569 4.090 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -15.879 12.175 2.175 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -17.233 8.536 3.797 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -17.409 10.074 1.764 1.00 0.00 H new ATOM 487 N PRO A 33 -15.618 10.747 7.242 1.00 0.00 N ATOM 488 CA PRO A 33 -16.354 9.904 8.205 1.00 0.00 C ATOM 489 C PRO A 33 -16.879 8.626 7.542 1.00 0.00 C ATOM 490 O PRO A 33 -16.601 7.534 7.994 1.00 0.00 O ATOM 491 CB PRO A 33 -17.531 10.776 8.663 1.00 0.00 C ATOM 492 CG PRO A 33 -17.524 12.056 7.792 1.00 0.00 C ATOM 493 CD PRO A 33 -16.379 11.914 6.780 1.00 0.00 C ATOM 0 HA PRO A 33 -15.715 9.585 9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -18.473 10.240 8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -17.433 11.029 9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.478 12.176 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -17.382 12.941 8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.759 11.764 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.757 12.809 6.757 1.00 0.00 H new ATOM 501 N LEU A 34 -17.645 8.765 6.485 1.00 0.00 N ATOM 502 CA LEU A 34 -18.225 7.576 5.786 1.00 0.00 C ATOM 503 C LEU A 34 -19.549 7.993 5.145 1.00 0.00 C ATOM 504 O LEU A 34 -19.995 7.393 4.188 1.00 0.00 O ATOM 505 CB LEU A 34 -18.504 6.451 6.788 1.00 0.00 C ATOM 506 CG LEU A 34 -17.369 5.428 6.739 1.00 0.00 C ATOM 507 CD1 LEU A 34 -17.364 4.609 8.031 1.00 0.00 C ATOM 508 CD2 LEU A 34 -17.578 4.496 5.545 1.00 0.00 C ATOM 0 H LEU A 34 -17.895 9.664 6.073 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.519 7.220 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.595 6.861 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.453 5.968 6.553 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.416 5.946 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.555 3.880 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.217 5.274 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.316 4.090 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.770 3.766 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.531 3.978 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.582 5.080 4.624 1.00 0.00 H new ATOM 520 N TYR A 35 -20.161 9.024 5.692 1.00 0.00 N ATOM 521 CA TYR A 35 -21.469 9.561 5.189 1.00 0.00 C ATOM 522 C TYR A 35 -21.948 8.807 3.950 1.00 0.00 C ATOM 523 O TYR A 35 -22.743 7.891 4.032 1.00 0.00 O ATOM 524 CB TYR A 35 -21.290 11.040 4.837 1.00 0.00 C ATOM 525 CG TYR A 35 -22.526 11.537 4.126 1.00 0.00 C ATOM 526 CD1 TYR A 35 -23.765 11.511 4.778 1.00 0.00 C ATOM 527 CD2 TYR A 35 -22.434 12.020 2.815 1.00 0.00 C ATOM 528 CE1 TYR A 35 -24.912 11.966 4.119 1.00 0.00 C ATOM 529 CE2 TYR A 35 -23.582 12.474 2.155 1.00 0.00 C ATOM 530 CZ TYR A 35 -24.821 12.449 2.807 1.00 0.00 C ATOM 531 OH TYR A 35 -25.954 12.896 2.156 1.00 0.00 O ATOM 0 H TYR A 35 -19.791 9.531 6.496 1.00 0.00 H new ATOM 0 HA TYR A 35 -22.217 9.434 5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -21.118 11.623 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -20.414 11.171 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -23.835 11.140 5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -21.478 12.042 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -25.868 11.945 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -23.512 12.844 1.143 1.00 0.00 H new ATOM 0 HH TYR A 35 -25.716 13.198 1.255 1.00 0.00 H new ATOM 541 N GLY A 36 -21.472 9.193 2.805 1.00 0.00 N ATOM 542 CA GLY A 36 -21.893 8.513 1.555 1.00 0.00 C ATOM 543 C GLY A 36 -21.297 9.255 0.365 1.00 0.00 C ATOM 544 O GLY A 36 -21.915 9.381 -0.673 1.00 0.00 O ATOM 0 H GLY A 36 -20.805 9.955 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.558 7.476 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.980 8.496 1.483 1.00 0.00 H new ATOM 548 N LYS A 37 -20.092 9.741 0.500 1.00 0.00 N ATOM 549 CA LYS A 37 -19.463 10.461 -0.635 1.00 0.00 C ATOM 550 C LYS A 37 -18.544 9.482 -1.348 1.00 0.00 C ATOM 551 O LYS A 37 -17.442 9.813 -1.738 1.00 0.00 O ATOM 552 CB LYS A 37 -18.652 11.648 -0.107 1.00 0.00 C ATOM 553 CG LYS A 37 -18.906 12.873 -0.989 1.00 0.00 C ATOM 554 CD LYS A 37 -17.955 14.001 -0.584 1.00 0.00 C ATOM 555 CE LYS A 37 -18.639 15.350 -0.812 1.00 0.00 C ATOM 556 NZ LYS A 37 -18.542 16.167 0.430 1.00 0.00 N ATOM 0 H LYS A 37 -19.522 9.669 1.343 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.222 10.839 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.933 11.864 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.590 11.403 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.757 12.616 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.940 13.201 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.674 13.896 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.036 13.944 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.168 15.874 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.684 15.200 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.006 17.085 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.011 15.667 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.541 16.320 0.668 1.00 0.00 H new ATOM 570 N ARG A 38 -18.984 8.263 -1.492 1.00 0.00 N ATOM 571 CA ARG A 38 -18.132 7.241 -2.143 1.00 0.00 C ATOM 572 C ARG A 38 -16.925 7.011 -1.251 1.00 0.00 C ATOM 573 O ARG A 38 -16.952 6.201 -0.355 1.00 0.00 O ATOM 574 CB ARG A 38 -17.685 7.731 -3.525 1.00 0.00 C ATOM 575 CG ARG A 38 -18.560 7.095 -4.606 1.00 0.00 C ATOM 576 CD ARG A 38 -17.935 7.345 -5.980 1.00 0.00 C ATOM 577 NE ARG A 38 -18.323 8.700 -6.464 1.00 0.00 N ATOM 578 CZ ARG A 38 -17.687 9.247 -7.466 1.00 0.00 C ATOM 579 NH1 ARG A 38 -16.709 8.610 -8.051 1.00 0.00 N ATOM 580 NH2 ARG A 38 -18.030 10.434 -7.884 1.00 0.00 N ATOM 0 H ARG A 38 -19.899 7.934 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.686 6.312 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -17.758 8.817 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -16.639 7.473 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -18.656 6.024 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -19.565 7.516 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -16.850 7.267 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -18.269 6.585 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 38 -19.087 9.202 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -16.439 7.682 -7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.215 9.041 -8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.794 10.934 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.534 10.862 -8.666 1.00 0.00 H new ATOM 594 N VAL A 39 -15.900 7.757 -1.505 1.00 0.00 N ATOM 595 CA VAL A 39 -14.625 7.705 -0.718 1.00 0.00 C ATOM 596 C VAL A 39 -13.572 6.883 -1.444 1.00 0.00 C ATOM 597 O VAL A 39 -12.794 7.404 -2.213 1.00 0.00 O ATOM 598 CB VAL A 39 -14.801 7.123 0.697 1.00 0.00 C ATOM 599 CG1 VAL A 39 -13.436 6.762 1.271 1.00 0.00 C ATOM 600 CG2 VAL A 39 -15.408 8.164 1.603 1.00 0.00 C ATOM 0 H VAL A 39 -15.883 8.439 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 39 -14.306 8.743 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 39 -15.443 6.244 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.560 6.350 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.956 6.022 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.814 7.656 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -15.531 7.749 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -14.752 9.033 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -16.380 8.464 1.212 1.00 0.00 H new ATOM 610 N LYS A 40 -13.533 5.608 -1.113 1.00 0.00 N ATOM 611 CA LYS A 40 -12.525 4.646 -1.636 1.00 0.00 C ATOM 612 C LYS A 40 -11.709 4.227 -0.378 1.00 0.00 C ATOM 613 O LYS A 40 -11.630 3.064 -0.064 1.00 0.00 O ATOM 614 CB LYS A 40 -11.691 5.275 -2.767 1.00 0.00 C ATOM 615 CG LYS A 40 -12.582 5.510 -3.990 1.00 0.00 C ATOM 616 CD LYS A 40 -11.801 6.302 -5.041 1.00 0.00 C ATOM 617 CE LYS A 40 -12.773 6.940 -6.037 1.00 0.00 C ATOM 618 NZ LYS A 40 -12.086 8.050 -6.756 1.00 0.00 N ATOM 0 H LYS A 40 -14.199 5.184 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.960 3.767 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.258 6.218 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.861 4.619 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.908 4.556 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.480 6.055 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.203 7.074 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.108 5.644 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.124 6.193 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.651 7.319 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.745 8.485 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.772 8.766 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.262 7.675 -7.267 1.00 0.00 H new ATOM 632 N TYR A 41 -11.230 5.199 0.405 1.00 0.00 N ATOM 633 CA TYR A 41 -10.582 4.930 1.758 1.00 0.00 C ATOM 634 C TYR A 41 -9.044 4.891 1.942 1.00 0.00 C ATOM 635 O TYR A 41 -8.577 4.208 2.823 1.00 0.00 O ATOM 636 CB TYR A 41 -11.168 3.682 2.364 1.00 0.00 C ATOM 637 CG TYR A 41 -12.672 3.813 2.411 1.00 0.00 C ATOM 638 CD1 TYR A 41 -13.245 4.798 3.217 1.00 0.00 C ATOM 639 CD2 TYR A 41 -13.494 2.957 1.659 1.00 0.00 C ATOM 640 CE1 TYR A 41 -14.637 4.932 3.279 1.00 0.00 C ATOM 641 CE2 TYR A 41 -14.885 3.095 1.719 1.00 0.00 C ATOM 642 CZ TYR A 41 -15.456 4.081 2.530 1.00 0.00 C ATOM 643 OH TYR A 41 -16.828 4.215 2.591 1.00 0.00 O ATOM 0 H TYR A 41 -11.264 6.187 0.154 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.828 5.864 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.885 2.810 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.772 3.530 3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.614 5.458 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.053 2.194 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.079 5.693 3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.518 2.440 1.139 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.248 3.547 2.010 1.00 0.00 H new ATOM 653 N SER A 42 -8.314 5.683 1.244 1.00 0.00 N ATOM 654 CA SER A 42 -6.787 5.838 1.434 1.00 0.00 C ATOM 655 C SER A 42 -5.875 5.367 0.247 1.00 0.00 C ATOM 656 O SER A 42 -5.385 6.212 -0.473 1.00 0.00 O ATOM 657 CB SER A 42 -6.314 5.242 2.765 1.00 0.00 C ATOM 658 OG SER A 42 -6.382 3.843 2.722 1.00 0.00 O ATOM 0 H SER A 42 -8.692 6.275 0.504 1.00 0.00 H new ATOM 0 HA SER A 42 -6.653 6.920 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.291 5.557 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.932 5.618 3.580 1.00 0.00 H new ATOM 0 HG SER A 42 -7.090 3.531 3.323 1.00 0.00 H new ATOM 664 N LYS A 43 -5.561 4.095 0.021 1.00 0.00 N ATOM 665 CA LYS A 43 -4.636 3.797 -1.128 1.00 0.00 C ATOM 666 C LYS A 43 -4.477 2.265 -1.390 1.00 0.00 C ATOM 667 O LYS A 43 -5.356 1.481 -1.140 1.00 0.00 O ATOM 668 CB LYS A 43 -3.285 4.453 -0.837 1.00 0.00 C ATOM 669 CG LYS A 43 -3.126 5.726 -1.679 1.00 0.00 C ATOM 670 CD LYS A 43 -1.655 5.896 -2.066 1.00 0.00 C ATOM 671 CE LYS A 43 -1.449 7.260 -2.726 1.00 0.00 C ATOM 672 NZ LYS A 43 -0.823 8.192 -1.745 1.00 0.00 N ATOM 0 H LYS A 43 -5.890 3.292 0.557 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.066 4.208 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.211 4.697 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.477 3.756 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.745 5.663 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.468 6.594 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.024 5.811 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.355 5.102 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.813 7.159 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.404 7.660 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.681 9.121 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.446 8.296 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.095 7.810 -1.441 1.00 0.00 H new ATOM 686 N LYS A 44 -3.378 1.820 -1.939 1.00 0.00 N ATOM 687 CA LYS A 44 -3.278 0.361 -2.304 1.00 0.00 C ATOM 688 C LYS A 44 -2.039 0.135 -3.192 1.00 0.00 C ATOM 689 O LYS A 44 -1.647 1.019 -3.926 1.00 0.00 O ATOM 690 CB LYS A 44 -4.473 0.060 -3.169 1.00 0.00 C ATOM 691 CG LYS A 44 -4.527 1.173 -4.205 1.00 0.00 C ATOM 692 CD LYS A 44 -5.881 1.161 -4.921 1.00 0.00 C ATOM 693 CE LYS A 44 -5.834 2.095 -6.134 1.00 0.00 C ATOM 694 NZ LYS A 44 -7.123 2.009 -6.879 1.00 0.00 N ATOM 0 H LYS A 44 -2.555 2.385 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.223 -0.254 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.374 -0.915 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.387 0.033 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.371 2.138 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.723 1.045 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.125 0.148 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.668 1.478 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.657 3.121 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.006 1.819 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.091 2.643 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.274 1.031 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.905 2.292 -6.254 1.00 0.00 H new ATOM 708 N TYR A 45 -1.343 -1.004 -3.075 1.00 0.00 N ATOM 709 CA TYR A 45 -0.070 -1.166 -3.819 1.00 0.00 C ATOM 710 C TYR A 45 0.208 -2.665 -4.025 1.00 0.00 C ATOM 711 O TYR A 45 0.146 -3.466 -3.108 1.00 0.00 O ATOM 712 CB TYR A 45 1.009 -0.494 -2.938 1.00 0.00 C ATOM 713 CG TYR A 45 0.282 0.418 -1.997 1.00 0.00 C ATOM 714 CD1 TYR A 45 -0.234 -0.093 -0.821 1.00 0.00 C ATOM 715 CD2 TYR A 45 0.052 1.742 -2.332 1.00 0.00 C ATOM 716 CE1 TYR A 45 -0.948 0.714 0.031 1.00 0.00 C ATOM 717 CE2 TYR A 45 -0.664 2.563 -1.470 1.00 0.00 C ATOM 718 CZ TYR A 45 -1.162 2.053 -0.281 1.00 0.00 C ATOM 719 OH TYR A 45 -1.853 2.877 0.585 1.00 0.00 O ATOM 0 H TYR A 45 -1.617 -1.801 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.091 -0.711 -4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.582 -1.241 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.717 0.065 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.075 -1.132 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.429 2.136 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.346 0.307 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.833 3.599 -1.726 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.225 3.482 1.032 1.00 0.00 H new ATOM 729 N LYS A 46 0.471 -2.980 -5.260 1.00 0.00 N ATOM 730 CA LYS A 46 0.743 -4.388 -5.794 1.00 0.00 C ATOM 731 C LYS A 46 1.149 -5.448 -4.744 1.00 0.00 C ATOM 732 O LYS A 46 0.850 -5.331 -3.585 1.00 0.00 O ATOM 733 CB LYS A 46 1.860 -4.285 -6.840 1.00 0.00 C ATOM 734 CG LYS A 46 3.197 -4.020 -6.141 1.00 0.00 C ATOM 735 CD LYS A 46 4.120 -3.238 -7.081 1.00 0.00 C ATOM 736 CE LYS A 46 5.162 -2.472 -6.264 1.00 0.00 C ATOM 737 NZ LYS A 46 6.355 -2.205 -7.115 1.00 0.00 N ATOM 0 H LYS A 46 0.516 -2.273 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.206 -4.740 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.917 -5.208 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.640 -3.482 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.034 -3.456 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.664 -4.963 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.616 -3.921 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.536 -2.544 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.740 -1.534 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.449 -3.050 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.066 -1.684 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.760 -3.107 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.073 -1.637 -7.940 1.00 0.00 H new ATOM 751 N ALA A 47 1.829 -6.506 -5.200 1.00 0.00 N ATOM 752 CA ALA A 47 2.306 -7.624 -4.299 1.00 0.00 C ATOM 753 C ALA A 47 2.070 -9.023 -4.922 1.00 0.00 C ATOM 754 O ALA A 47 2.033 -9.167 -6.108 1.00 0.00 O ATOM 755 CB ALA A 47 1.639 -7.554 -2.930 1.00 0.00 C ATOM 0 H ALA A 47 2.074 -6.635 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 47 3.380 -7.484 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.002 -8.370 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.878 -6.602 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.559 -7.640 -3.047 1.00 0.00 H new ATOM 761 N HIS A 48 1.943 -10.063 -4.103 1.00 0.00 N ATOM 762 CA HIS A 48 1.712 -11.465 -4.626 1.00 0.00 C ATOM 763 C HIS A 48 1.805 -12.475 -3.482 1.00 0.00 C ATOM 764 O HIS A 48 1.550 -12.167 -2.337 1.00 0.00 O ATOM 765 CB HIS A 48 2.745 -11.859 -5.698 1.00 0.00 C ATOM 766 CG HIS A 48 4.050 -12.305 -5.048 1.00 0.00 C ATOM 767 ND1 HIS A 48 4.585 -11.663 -3.943 1.00 0.00 N ATOM 768 CD2 HIS A 48 4.940 -13.311 -5.353 1.00 0.00 C ATOM 769 CE1 HIS A 48 5.747 -12.269 -3.640 1.00 0.00 C ATOM 770 NE2 HIS A 48 6.009 -13.280 -4.466 1.00 0.00 N ATOM 0 H HIS A 48 1.991 -9.996 -3.086 1.00 0.00 H new ATOM 0 HA HIS A 48 0.718 -11.476 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.347 -12.664 -6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.932 -11.013 -6.359 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.824 -14.018 -6.161 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.390 -11.971 -2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.820 -13.899 -4.451 1.00 0.00 H new ATOM 778 N ASP A 49 2.197 -13.680 -3.797 1.00 0.00 N ATOM 779 CA ASP A 49 2.346 -14.727 -2.752 1.00 0.00 C ATOM 780 C ASP A 49 3.837 -14.988 -2.551 1.00 0.00 C ATOM 781 O ASP A 49 4.454 -15.726 -3.293 1.00 0.00 O ATOM 782 CB ASP A 49 1.646 -16.020 -3.187 1.00 0.00 C ATOM 783 CG ASP A 49 1.560 -16.085 -4.715 1.00 0.00 C ATOM 784 OD1 ASP A 49 2.596 -16.248 -5.341 1.00 0.00 O ATOM 785 OD2 ASP A 49 0.461 -15.975 -5.232 1.00 0.00 O ATOM 0 H ASP A 49 2.422 -13.984 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 49 1.889 -14.390 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.193 -16.884 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.645 -16.063 -2.757 1.00 0.00 H new ATOM 790 N GLU A 50 4.426 -14.366 -1.569 1.00 0.00 N ATOM 791 CA GLU A 50 5.883 -14.556 -1.337 1.00 0.00 C ATOM 792 C GLU A 50 6.126 -15.804 -0.480 1.00 0.00 C ATOM 793 O GLU A 50 6.724 -15.726 0.574 1.00 0.00 O ATOM 794 CB GLU A 50 6.439 -13.327 -0.608 1.00 0.00 C ATOM 795 CG GLU A 50 5.896 -13.280 0.824 1.00 0.00 C ATOM 796 CD GLU A 50 7.053 -13.067 1.804 1.00 0.00 C ATOM 797 OE1 GLU A 50 7.716 -14.039 2.128 1.00 0.00 O ATOM 798 OE2 GLU A 50 7.258 -11.935 2.211 1.00 0.00 O ATOM 0 H GLU A 50 3.961 -13.734 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 50 6.384 -14.682 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.528 -13.365 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.159 -12.419 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.170 -12.473 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.375 -14.209 1.057 1.00 0.00 H new ATOM 805 N HIS A 51 5.664 -16.947 -0.924 1.00 0.00 N ATOM 806 CA HIS A 51 5.858 -18.209 -0.149 1.00 0.00 C ATOM 807 C HIS A 51 4.706 -18.395 0.817 1.00 0.00 C ATOM 808 O HIS A 51 4.153 -17.453 1.348 1.00 0.00 O ATOM 809 CB HIS A 51 7.164 -18.175 0.630 1.00 0.00 C ATOM 810 CG HIS A 51 7.748 -19.559 0.719 1.00 0.00 C ATOM 811 ND1 HIS A 51 8.795 -19.972 -0.090 1.00 0.00 N ATOM 812 CD2 HIS A 51 7.451 -20.631 1.524 1.00 0.00 C ATOM 813 CE1 HIS A 51 9.089 -21.241 0.243 1.00 0.00 C ATOM 814 NE2 HIS A 51 8.300 -21.692 1.221 1.00 0.00 N ATOM 0 H HIS A 51 5.155 -17.059 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 51 5.893 -19.040 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.871 -17.504 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.990 -17.780 1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.677 -20.648 2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.869 -21.825 -0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.316 -22.616 1.653 1.00 0.00 H new ATOM 822 N ASN A 52 4.334 -19.612 1.022 1.00 0.00 N ATOM 823 CA ASN A 52 3.199 -19.909 1.927 1.00 0.00 C ATOM 824 C ASN A 52 1.927 -19.412 1.256 1.00 0.00 C ATOM 825 O ASN A 52 0.870 -19.368 1.853 1.00 0.00 O ATOM 826 CB ASN A 52 3.400 -19.186 3.261 1.00 0.00 C ATOM 827 CG ASN A 52 3.490 -20.213 4.390 1.00 0.00 C ATOM 828 OD1 ASN A 52 3.664 -21.390 4.144 1.00 0.00 O ATOM 829 ND2 ASN A 52 3.378 -19.814 5.628 1.00 0.00 N ATOM 0 H ASN A 52 4.771 -20.430 0.597 1.00 0.00 H new ATOM 0 HA ASN A 52 3.133 -20.980 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.309 -18.586 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.572 -18.501 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.437 -20.490 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.232 -18.826 5.834 1.00 0.00 H new ATOM 836 N GLU A 53 2.030 -19.007 0.014 1.00 0.00 N ATOM 837 CA GLU A 53 0.836 -18.482 -0.693 1.00 0.00 C ATOM 838 C GLU A 53 0.456 -17.141 -0.062 1.00 0.00 C ATOM 839 O GLU A 53 -0.556 -16.553 -0.387 1.00 0.00 O ATOM 840 CB GLU A 53 -0.321 -19.471 -0.554 1.00 0.00 C ATOM 841 CG GLU A 53 -1.228 -19.362 -1.780 1.00 0.00 C ATOM 842 CD GLU A 53 -1.286 -20.713 -2.495 1.00 0.00 C ATOM 843 OE1 GLU A 53 -1.332 -21.722 -1.811 1.00 0.00 O ATOM 844 OE2 GLU A 53 -1.282 -20.716 -3.715 1.00 0.00 O ATOM 0 H GLU A 53 2.890 -19.020 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 53 1.053 -18.347 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.063 -20.487 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.888 -19.260 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.229 -19.055 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.851 -18.596 -2.458 1.00 0.00 H new ATOM 851 N ALA A 54 1.277 -16.655 0.837 1.00 0.00 N ATOM 852 CA ALA A 54 0.992 -15.349 1.503 1.00 0.00 C ATOM 853 C ALA A 54 -0.513 -15.193 1.772 1.00 0.00 C ATOM 854 O ALA A 54 -1.022 -15.701 2.752 1.00 0.00 O ATOM 855 CB ALA A 54 1.486 -14.206 0.613 1.00 0.00 C ATOM 0 H ALA A 54 2.138 -17.111 1.139 1.00 0.00 H new ATOM 0 HA ALA A 54 1.514 -15.320 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.279 -13.252 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.560 -14.307 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.972 -14.244 -0.347 1.00 0.00 H new ATOM 861 N LYS A 55 -1.217 -14.472 0.925 1.00 0.00 N ATOM 862 CA LYS A 55 -2.683 -14.251 1.132 1.00 0.00 C ATOM 863 C LYS A 55 -2.855 -13.016 2.017 1.00 0.00 C ATOM 864 O LYS A 55 -3.074 -13.119 3.208 1.00 0.00 O ATOM 865 CB LYS A 55 -3.324 -15.472 1.800 1.00 0.00 C ATOM 866 CG LYS A 55 -4.806 -15.547 1.422 1.00 0.00 C ATOM 867 CD LYS A 55 -5.070 -16.834 0.637 1.00 0.00 C ATOM 868 CE LYS A 55 -5.794 -16.499 -0.668 1.00 0.00 C ATOM 869 NZ LYS A 55 -7.263 -16.682 -0.487 1.00 0.00 N ATOM 0 H LYS A 55 -0.832 -14.025 0.093 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.175 -14.101 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.812 -16.381 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.218 -15.404 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.423 -15.524 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.083 -14.680 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.129 -17.341 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.673 -17.519 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.579 -15.472 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.434 -17.142 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.753 -16.454 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.460 -17.669 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.601 -16.051 0.267 1.00 0.00 H new ATOM 883 N VAL A 56 -2.726 -11.845 1.451 1.00 0.00 N ATOM 884 CA VAL A 56 -2.844 -10.608 2.271 1.00 0.00 C ATOM 885 C VAL A 56 -1.684 -10.590 3.267 1.00 0.00 C ATOM 886 O VAL A 56 -1.861 -10.819 4.447 1.00 0.00 O ATOM 887 CB VAL A 56 -4.180 -10.603 3.020 1.00 0.00 C ATOM 888 CG1 VAL A 56 -4.342 -9.280 3.772 1.00 0.00 C ATOM 889 CG2 VAL A 56 -5.327 -10.759 2.018 1.00 0.00 C ATOM 0 H VAL A 56 -2.545 -11.694 0.459 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.807 -9.725 1.633 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.199 -11.430 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.293 -9.278 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.526 -9.165 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.322 -8.453 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.278 -10.756 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.305 -9.932 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.215 -11.701 1.481 1.00 0.00 H new ATOM 899 N GLY A 57 -0.499 -10.333 2.772 1.00 0.00 N ATOM 900 CA GLY A 57 0.725 -10.298 3.632 1.00 0.00 C ATOM 901 C GLY A 57 0.379 -9.893 5.081 1.00 0.00 C ATOM 902 O GLY A 57 0.855 -10.492 6.023 1.00 0.00 O ATOM 0 H GLY A 57 -0.325 -10.142 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.202 -11.278 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.444 -9.592 3.216 1.00 0.00 H new ATOM 906 N ASP A 58 -0.442 -8.870 5.232 1.00 0.00 N ATOM 907 CA ASP A 58 -0.866 -8.344 6.575 1.00 0.00 C ATOM 908 C ASP A 58 -0.778 -6.806 6.533 1.00 0.00 C ATOM 909 O ASP A 58 -1.561 -6.159 5.855 1.00 0.00 O ATOM 910 CB ASP A 58 0.018 -8.887 7.707 1.00 0.00 C ATOM 911 CG ASP A 58 -0.403 -8.248 9.034 1.00 0.00 C ATOM 912 OD1 ASP A 58 -1.364 -7.496 9.030 1.00 0.00 O ATOM 913 OD2 ASP A 58 0.245 -8.521 10.032 1.00 0.00 O ATOM 0 H ASP A 58 -0.849 -8.362 4.447 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.885 -8.672 6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.075 -9.971 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.066 -8.668 7.502 1.00 0.00 H new ATOM 918 N ILE A 59 0.169 -6.210 7.232 1.00 0.00 N ATOM 919 CA ILE A 59 0.292 -4.716 7.210 1.00 0.00 C ATOM 920 C ILE A 59 1.774 -4.335 7.091 1.00 0.00 C ATOM 921 O ILE A 59 2.482 -4.256 8.089 1.00 0.00 O ATOM 922 CB ILE A 59 -0.266 -4.142 8.517 1.00 0.00 C ATOM 923 CG1 ILE A 59 -1.766 -4.440 8.621 1.00 0.00 C ATOM 924 CG2 ILE A 59 -0.037 -2.630 8.552 1.00 0.00 C ATOM 925 CD1 ILE A 59 -2.533 -3.616 7.584 1.00 0.00 C ATOM 0 H ILE A 59 0.855 -6.693 7.812 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.265 -4.315 6.363 1.00 0.00 H new ATOM 0 HB ILE A 59 0.248 -4.606 9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.947 -5.503 8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.124 -4.204 9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.434 -2.223 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.031 -2.422 8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.545 -2.165 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.598 -3.832 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.364 -2.555 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.184 -3.873 6.584 1.00 0.00 H new ATOM 937 N VAL A 60 2.272 -4.136 5.888 1.00 0.00 N ATOM 938 CA VAL A 60 3.738 -3.793 5.751 1.00 0.00 C ATOM 939 C VAL A 60 3.973 -2.285 5.681 1.00 0.00 C ATOM 940 O VAL A 60 3.873 -1.604 6.658 1.00 0.00 O ATOM 941 CB VAL A 60 4.392 -4.509 4.552 1.00 0.00 C ATOM 942 CG1 VAL A 60 3.558 -4.298 3.301 1.00 0.00 C ATOM 943 CG2 VAL A 60 5.812 -3.968 4.314 1.00 0.00 C ATOM 0 H VAL A 60 1.747 -4.193 5.015 1.00 0.00 H new ATOM 0 HA VAL A 60 4.222 -4.159 6.657 1.00 0.00 H new ATOM 0 HB VAL A 60 4.448 -5.574 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.028 -4.807 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.558 -4.703 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.488 -3.232 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.260 -4.483 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.764 -2.899 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.420 -4.138 5.203 1.00 0.00 H new ATOM 953 N LYS A 61 4.305 -1.780 4.545 1.00 0.00 N ATOM 954 CA LYS A 61 4.622 -0.316 4.399 1.00 0.00 C ATOM 955 C LYS A 61 5.472 -0.062 3.145 1.00 0.00 C ATOM 956 O LYS A 61 5.834 -0.995 2.480 1.00 0.00 O ATOM 957 CB LYS A 61 5.457 0.091 5.637 1.00 0.00 C ATOM 958 CG LYS A 61 6.202 1.407 5.412 1.00 0.00 C ATOM 959 CD LYS A 61 6.872 1.833 6.717 1.00 0.00 C ATOM 960 CE LYS A 61 7.094 3.345 6.703 1.00 0.00 C ATOM 961 NZ LYS A 61 7.602 3.785 8.033 1.00 0.00 N ATOM 0 H LYS A 61 4.377 -2.317 3.681 1.00 0.00 H new ATOM 0 HA LYS A 61 3.697 0.255 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.801 0.188 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.173 -0.697 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.949 1.286 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.509 2.178 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.249 1.554 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.824 1.316 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.807 3.611 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.161 3.858 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.288 4.556 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.808 4.122 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.065 2.985 8.510 1.00 0.00 H new ATOM 975 N ILE A 62 5.736 1.216 2.812 1.00 0.00 N ATOM 976 CA ILE A 62 6.530 1.598 1.565 1.00 0.00 C ATOM 977 C ILE A 62 6.101 2.983 1.040 1.00 0.00 C ATOM 978 O ILE A 62 6.229 3.985 1.716 1.00 0.00 O ATOM 979 CB ILE A 62 6.351 0.566 0.418 1.00 0.00 C ATOM 980 CG1 ILE A 62 4.853 0.172 0.269 1.00 0.00 C ATOM 981 CG2 ILE A 62 7.236 -0.663 0.680 1.00 0.00 C ATOM 982 CD1 ILE A 62 4.159 0.939 -0.888 1.00 0.00 C ATOM 0 H ILE A 62 5.427 2.015 3.365 1.00 0.00 H new ATOM 0 HA ILE A 62 7.578 1.617 1.866 1.00 0.00 H new ATOM 0 HB ILE A 62 6.666 1.016 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.777 -0.900 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.330 0.376 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.106 -1.383 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.281 -0.356 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.949 -1.123 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.115 0.631 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.210 2.011 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.664 0.714 -1.828 1.00 0.00 H new ATOM 994 N MET A 63 5.610 3.031 -0.145 1.00 0.00 N ATOM 995 CA MET A 63 5.165 4.284 -0.786 1.00 0.00 C ATOM 996 C MET A 63 5.058 4.087 -2.293 1.00 0.00 C ATOM 997 O MET A 63 4.128 3.512 -2.723 1.00 0.00 O ATOM 998 CB MET A 63 6.138 5.439 -0.511 1.00 0.00 C ATOM 999 CG MET A 63 5.707 6.627 -1.380 1.00 0.00 C ATOM 1000 SD MET A 63 6.260 8.191 -0.656 1.00 0.00 S ATOM 1001 CE MET A 63 7.692 8.447 -1.734 1.00 0.00 C ATOM 0 H MET A 63 5.491 2.206 -0.733 1.00 0.00 H new ATOM 0 HA MET A 63 4.193 4.538 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.121 5.711 0.544 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.160 5.143 -0.747 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.122 6.519 -2.382 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.622 6.633 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.605 8.419 -1.139 1.00 0.00 H new ATOM 0 HE2 MET A 63 7.725 7.660 -2.488 1.00 0.00 H new ATOM 0 HE3 MET A 63 7.609 9.416 -2.225 1.00 0.00 H new ATOM 1011 N GLU A 64 5.915 4.561 -3.096 1.00 0.00 N ATOM 1012 CA GLU A 64 5.698 4.373 -4.583 1.00 0.00 C ATOM 1013 C GLU A 64 4.717 5.451 -5.085 1.00 0.00 C ATOM 1014 O GLU A 64 3.731 5.209 -5.746 1.00 0.00 O ATOM 1015 CB GLU A 64 5.183 2.919 -4.852 1.00 0.00 C ATOM 1016 CG GLU A 64 3.668 2.840 -5.099 1.00 0.00 C ATOM 1017 CD GLU A 64 3.386 2.870 -6.606 1.00 0.00 C ATOM 1018 OE1 GLU A 64 4.335 2.788 -7.368 1.00 0.00 O ATOM 1019 OE2 GLU A 64 2.226 2.974 -6.970 1.00 0.00 O ATOM 0 H GLU A 64 6.758 5.070 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 64 6.631 4.492 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.706 2.511 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.437 2.289 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.266 1.926 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.166 3.674 -4.609 1.00 0.00 H new ATOM 1026 N THR A 65 5.033 6.678 -4.785 1.00 0.00 N ATOM 1027 CA THR A 65 4.174 7.817 -5.233 1.00 0.00 C ATOM 1028 C THR A 65 3.846 7.662 -6.722 1.00 0.00 C ATOM 1029 O THR A 65 4.517 6.956 -7.447 1.00 0.00 O ATOM 1030 CB THR A 65 4.912 9.148 -5.017 1.00 0.00 C ATOM 1031 OG1 THR A 65 5.639 9.477 -6.193 1.00 0.00 O ATOM 1032 CG2 THR A 65 5.881 9.029 -3.837 1.00 0.00 C ATOM 0 H THR A 65 5.855 6.947 -4.245 1.00 0.00 H new ATOM 0 HA THR A 65 3.253 7.814 -4.650 1.00 0.00 H new ATOM 0 HB THR A 65 4.183 9.929 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.110 10.326 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.398 9.978 -3.694 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.325 8.779 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.611 8.246 -4.043 1.00 0.00 H new ATOM 1040 N ARG A 66 2.816 8.323 -7.181 1.00 0.00 N ATOM 1041 CA ARG A 66 2.440 8.221 -8.621 1.00 0.00 C ATOM 1042 C ARG A 66 3.533 8.865 -9.483 1.00 0.00 C ATOM 1043 O ARG A 66 4.139 9.838 -9.082 1.00 0.00 O ATOM 1044 CB ARG A 66 1.119 8.961 -8.854 1.00 0.00 C ATOM 1045 CG ARG A 66 -0.056 8.076 -8.432 1.00 0.00 C ATOM 1046 CD ARG A 66 -1.305 8.942 -8.255 1.00 0.00 C ATOM 1047 NE ARG A 66 -2.408 8.404 -9.103 1.00 0.00 N ATOM 1048 CZ ARG A 66 -3.638 8.798 -8.907 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -3.906 9.673 -7.975 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -4.602 8.319 -9.647 1.00 0.00 N ATOM 0 H ARG A 66 2.218 8.930 -6.620 1.00 0.00 H new ATOM 0 HA ARG A 66 2.329 7.171 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.108 9.891 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.023 9.230 -9.906 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.236 7.308 -9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.178 7.561 -7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.608 8.952 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.088 9.973 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.201 7.727 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.154 10.050 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.867 9.979 -7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.394 7.638 -10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.563 8.626 -9.495 1.00 0.00 H new ATOM 1064 N PRO A 67 3.746 8.307 -10.650 1.00 0.00 N ATOM 1065 CA PRO A 67 4.758 8.821 -11.590 1.00 0.00 C ATOM 1066 C PRO A 67 4.394 10.245 -12.020 1.00 0.00 C ATOM 1067 O PRO A 67 3.252 10.541 -12.309 1.00 0.00 O ATOM 1068 CB PRO A 67 4.702 7.865 -12.790 1.00 0.00 C ATOM 1069 CG PRO A 67 3.602 6.811 -12.502 1.00 0.00 C ATOM 1070 CD PRO A 67 3.005 7.123 -11.121 1.00 0.00 C ATOM 0 HA PRO A 67 5.754 8.864 -11.150 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.477 8.413 -13.705 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.667 7.380 -12.938 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.829 6.846 -13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.022 5.805 -12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.936 7.326 -11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.127 6.282 -10.438 1.00 0.00 H new ATOM 1078 N LEU A 68 5.352 11.130 -12.064 1.00 0.00 N ATOM 1079 CA LEU A 68 5.049 12.532 -12.476 1.00 0.00 C ATOM 1080 C LEU A 68 5.951 12.945 -13.632 1.00 0.00 C ATOM 1081 O LEU A 68 5.937 14.074 -14.081 1.00 0.00 O ATOM 1082 CB LEU A 68 5.286 13.467 -11.300 1.00 0.00 C ATOM 1083 CG LEU A 68 6.666 13.199 -10.699 1.00 0.00 C ATOM 1084 CD1 LEU A 68 7.367 14.529 -10.417 1.00 0.00 C ATOM 1085 CD2 LEU A 68 6.508 12.418 -9.393 1.00 0.00 C ATOM 0 H LEU A 68 6.328 10.945 -11.834 1.00 0.00 H new ATOM 0 HA LEU A 68 4.008 12.591 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.217 14.504 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.515 13.319 -10.544 1.00 0.00 H new ATOM 0 HG LEU A 68 7.263 12.617 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.351 14.338 -9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.478 15.086 -11.347 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.772 15.112 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.491 12.226 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.912 13.001 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.008 11.470 -9.594 1.00 0.00 H new ATOM 1097 N SER A 69 6.730 12.035 -14.108 1.00 0.00 N ATOM 1098 CA SER A 69 7.649 12.343 -15.239 1.00 0.00 C ATOM 1099 C SER A 69 8.654 11.201 -15.406 1.00 0.00 C ATOM 1100 O SER A 69 8.608 10.458 -16.366 1.00 0.00 O ATOM 1101 CB SER A 69 8.399 13.643 -14.947 1.00 0.00 C ATOM 1102 OG SER A 69 8.397 13.882 -13.546 1.00 0.00 O ATOM 0 H SER A 69 6.777 11.076 -13.764 1.00 0.00 H new ATOM 0 HA SER A 69 7.071 12.455 -16.156 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.423 13.576 -15.315 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.926 14.474 -15.470 1.00 0.00 H new ATOM 0 HG SER A 69 7.601 14.400 -13.304 1.00 0.00 H new ATOM 1108 N ALA A 70 9.562 11.056 -14.480 1.00 0.00 N ATOM 1109 CA ALA A 70 10.570 9.963 -14.587 1.00 0.00 C ATOM 1110 C ALA A 70 10.866 9.399 -13.194 1.00 0.00 C ATOM 1111 O ALA A 70 11.997 9.381 -12.750 1.00 0.00 O ATOM 1112 CB ALA A 70 11.859 10.516 -15.199 1.00 0.00 C ATOM 0 H ALA A 70 9.650 11.647 -13.654 1.00 0.00 H new ATOM 0 HA ALA A 70 10.177 9.169 -15.222 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.596 9.717 -15.277 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.649 10.915 -16.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.251 11.311 -14.565 1.00 0.00 H new ATOM 1118 N THR A 71 9.858 8.938 -12.503 1.00 0.00 N ATOM 1119 CA THR A 71 10.076 8.374 -11.139 1.00 0.00 C ATOM 1120 C THR A 71 9.047 7.268 -10.882 1.00 0.00 C ATOM 1121 O THR A 71 7.888 7.537 -10.639 1.00 0.00 O ATOM 1122 CB THR A 71 9.896 9.480 -10.094 1.00 0.00 C ATOM 1123 OG1 THR A 71 8.570 9.984 -10.171 1.00 0.00 O ATOM 1124 CG2 THR A 71 10.888 10.613 -10.361 1.00 0.00 C ATOM 0 H THR A 71 8.890 8.928 -12.825 1.00 0.00 H new ATOM 0 HA THR A 71 11.084 7.966 -11.069 1.00 0.00 H new ATOM 0 HB THR A 71 10.079 9.072 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.936 9.237 -10.186 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.755 11.396 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.906 10.227 -10.304 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.711 11.025 -11.355 1.00 0.00 H new ATOM 1132 N LYS A 72 9.453 6.027 -10.939 1.00 0.00 N ATOM 1133 CA LYS A 72 8.480 4.922 -10.703 1.00 0.00 C ATOM 1134 C LYS A 72 8.907 4.089 -9.491 1.00 0.00 C ATOM 1135 O LYS A 72 8.170 3.247 -9.017 1.00 0.00 O ATOM 1136 CB LYS A 72 8.416 4.024 -11.940 1.00 0.00 C ATOM 1137 CG LYS A 72 7.003 3.456 -12.079 1.00 0.00 C ATOM 1138 CD LYS A 72 6.876 2.709 -13.407 1.00 0.00 C ATOM 1139 CE LYS A 72 5.396 2.492 -13.727 1.00 0.00 C ATOM 1140 NZ LYS A 72 5.162 1.058 -14.058 1.00 0.00 N ATOM 0 H LYS A 72 10.409 5.733 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 72 7.498 5.353 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.681 4.593 -12.831 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.139 3.213 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.788 2.782 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.271 4.262 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.352 3.279 -14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.391 1.750 -13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.783 2.784 -12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.098 3.123 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.156 0.912 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.737 0.794 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.430 0.466 -13.246 1.00 0.00 H new ATOM 1154 N ARG A 73 10.083 4.320 -8.976 1.00 0.00 N ATOM 1155 CA ARG A 73 10.535 3.539 -7.786 1.00 0.00 C ATOM 1156 C ARG A 73 9.636 3.906 -6.605 1.00 0.00 C ATOM 1157 O ARG A 73 8.830 4.810 -6.699 1.00 0.00 O ATOM 1158 CB ARG A 73 11.993 3.877 -7.447 1.00 0.00 C ATOM 1159 CG ARG A 73 12.743 4.320 -8.709 1.00 0.00 C ATOM 1160 CD ARG A 73 12.418 3.372 -9.865 1.00 0.00 C ATOM 1161 NE ARG A 73 13.625 3.212 -10.726 1.00 0.00 N ATOM 1162 CZ ARG A 73 13.685 2.245 -11.602 1.00 0.00 C ATOM 1163 NH1 ARG A 73 12.689 1.411 -11.729 1.00 0.00 N ATOM 1164 NH2 ARG A 73 14.744 2.113 -12.354 1.00 0.00 N ATOM 0 H ARG A 73 10.748 5.011 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 73 10.470 2.472 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.025 4.669 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 73 12.483 3.007 -7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.460 5.339 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 73 13.817 4.325 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.102 2.403 -9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.588 3.767 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 73 14.407 3.860 -10.630 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.860 1.513 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.739 0.657 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.523 2.764 -12.257 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.793 1.358 -13.039 1.00 0.00 H new ATOM 1178 N PHE A 74 9.747 3.226 -5.495 1.00 0.00 N ATOM 1179 CA PHE A 74 8.863 3.588 -4.350 1.00 0.00 C ATOM 1180 C PHE A 74 9.663 3.872 -3.094 1.00 0.00 C ATOM 1181 O PHE A 74 10.876 3.815 -3.080 1.00 0.00 O ATOM 1182 CB PHE A 74 7.814 2.484 -4.097 1.00 0.00 C ATOM 1183 CG PHE A 74 8.391 1.253 -3.437 1.00 0.00 C ATOM 1184 CD1 PHE A 74 9.768 1.072 -3.351 1.00 0.00 C ATOM 1185 CD2 PHE A 74 7.520 0.272 -2.925 1.00 0.00 C ATOM 1186 CE1 PHE A 74 10.291 -0.083 -2.760 1.00 0.00 C ATOM 1187 CE2 PHE A 74 8.044 -0.881 -2.330 1.00 0.00 C ATOM 1188 CZ PHE A 74 9.429 -1.059 -2.249 1.00 0.00 C ATOM 0 H PHE A 74 10.394 2.455 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 74 8.338 4.505 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.018 2.885 -3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.359 2.200 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.435 1.826 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.451 0.409 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.360 -0.221 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.379 -1.634 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.833 -1.950 -1.792 1.00 0.00 H new ATOM 1198 N ARG A 75 8.980 4.191 -2.036 1.00 0.00 N ATOM 1199 CA ARG A 75 9.691 4.496 -0.766 1.00 0.00 C ATOM 1200 C ARG A 75 9.278 3.457 0.253 1.00 0.00 C ATOM 1201 O ARG A 75 8.411 2.634 -0.042 1.00 0.00 O ATOM 1202 CB ARG A 75 9.309 5.895 -0.277 1.00 0.00 C ATOM 1203 CG ARG A 75 10.579 6.716 -0.036 1.00 0.00 C ATOM 1204 CD ARG A 75 11.032 7.353 -1.352 1.00 0.00 C ATOM 1205 NE ARG A 75 12.077 6.499 -1.985 1.00 0.00 N ATOM 1206 CZ ARG A 75 12.401 6.678 -3.238 1.00 0.00 C ATOM 1207 NH1 ARG A 75 11.815 7.610 -3.941 1.00 0.00 N ATOM 1208 NH2 ARG A 75 13.313 5.924 -3.789 1.00 0.00 N ATOM 0 H ARG A 75 7.963 4.254 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 75 10.770 4.472 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.678 6.390 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.729 5.824 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.389 7.489 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.368 6.077 0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.182 7.465 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.427 8.352 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 75 12.540 5.773 -1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.102 8.200 -3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.070 7.747 -4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.772 5.196 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.567 6.063 -4.767 1.00 0.00 H new ATOM 1222 N LEU A 76 9.837 3.494 1.453 1.00 0.00 N ATOM 1223 CA LEU A 76 9.440 2.464 2.452 1.00 0.00 C ATOM 1224 C LEU A 76 10.379 2.343 3.667 1.00 0.00 C ATOM 1225 O LEU A 76 10.670 3.311 4.333 1.00 0.00 O ATOM 1226 CB LEU A 76 9.423 1.083 1.729 1.00 0.00 C ATOM 1227 CG LEU A 76 10.845 0.685 1.323 1.00 0.00 C ATOM 1228 CD1 LEU A 76 11.076 -0.793 1.665 1.00 0.00 C ATOM 1229 CD2 LEU A 76 11.015 0.890 -0.176 1.00 0.00 C ATOM 0 H LEU A 76 10.529 4.175 1.765 1.00 0.00 H new ATOM 0 HA LEU A 76 8.469 2.770 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.998 0.325 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.785 1.133 0.847 1.00 0.00 H new ATOM 0 HG LEU A 76 11.566 1.301 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.088 -1.079 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.948 -0.943 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.357 -1.408 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.026 0.608 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.296 0.271 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.845 1.938 -0.421 1.00 0.00 H new ATOM 1241 N VAL A 77 10.742 1.120 3.979 1.00 0.00 N ATOM 1242 CA VAL A 77 11.528 0.734 5.165 1.00 0.00 C ATOM 1243 C VAL A 77 10.952 -0.630 5.579 1.00 0.00 C ATOM 1244 O VAL A 77 11.579 -1.362 6.317 1.00 0.00 O ATOM 1245 CB VAL A 77 11.361 1.711 6.338 1.00 0.00 C ATOM 1246 CG1 VAL A 77 12.298 2.901 6.160 1.00 0.00 C ATOM 1247 CG2 VAL A 77 9.911 2.192 6.424 1.00 0.00 C ATOM 0 H VAL A 77 10.494 0.320 3.397 1.00 0.00 H new ATOM 0 HA VAL A 77 12.591 0.723 4.926 1.00 0.00 H new ATOM 0 HB VAL A 77 11.613 1.196 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.174 3.590 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.330 2.550 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 77 12.061 3.415 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.806 2.884 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.640 2.698 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.252 1.337 6.576 1.00 0.00 H new ATOM 1257 N GLU A 78 9.765 -1.000 5.061 1.00 0.00 N ATOM 1258 CA GLU A 78 9.177 -2.322 5.362 1.00 0.00 C ATOM 1259 C GLU A 78 8.265 -2.266 6.570 1.00 0.00 C ATOM 1260 O GLU A 78 8.051 -1.242 7.183 1.00 0.00 O ATOM 1261 CB GLU A 78 10.281 -3.360 5.594 1.00 0.00 C ATOM 1262 CG GLU A 78 9.870 -4.702 4.981 1.00 0.00 C ATOM 1263 CD GLU A 78 10.159 -5.826 5.978 1.00 0.00 C ATOM 1264 OE1 GLU A 78 11.093 -5.680 6.749 1.00 0.00 O ATOM 1265 OE2 GLU A 78 9.443 -6.813 5.953 1.00 0.00 O ATOM 0 H GLU A 78 9.202 -0.415 4.443 1.00 0.00 H new ATOM 0 HA GLU A 78 8.580 -2.617 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.215 -3.017 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.463 -3.478 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.810 -4.689 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.417 -4.874 4.054 1.00 0.00 H new ATOM 1272 N ILE A 79 7.722 -3.401 6.852 1.00 0.00 N ATOM 1273 CA ILE A 79 6.766 -3.616 7.973 1.00 0.00 C ATOM 1274 C ILE A 79 5.859 -4.774 7.512 1.00 0.00 C ATOM 1275 O ILE A 79 6.086 -5.280 6.434 1.00 0.00 O ATOM 1276 CB ILE A 79 6.022 -2.299 8.303 1.00 0.00 C ATOM 1277 CG1 ILE A 79 6.813 -1.543 9.386 1.00 0.00 C ATOM 1278 CG2 ILE A 79 4.614 -2.563 8.827 1.00 0.00 C ATOM 1279 CD1 ILE A 79 6.553 -2.167 10.761 1.00 0.00 C ATOM 0 H ILE A 79 7.912 -4.249 6.318 1.00 0.00 H new ATOM 0 HA ILE A 79 7.245 -3.889 8.913 1.00 0.00 H new ATOM 0 HB ILE A 79 5.944 -1.714 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.879 -1.576 9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.521 -0.493 9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.124 -1.615 9.047 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.040 -3.101 8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.670 -3.162 9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.117 -1.624 11.519 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.489 -2.110 10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.867 -3.211 10.752 1.00 0.00 H new ATOM 1291 N VAL A 80 4.842 -5.197 8.260 1.00 0.00 N ATOM 1292 CA VAL A 80 3.976 -6.357 7.817 1.00 0.00 C ATOM 1293 C VAL A 80 3.526 -7.145 9.047 1.00 0.00 C ATOM 1294 O VAL A 80 2.380 -7.549 9.137 1.00 0.00 O ATOM 1295 CB VAL A 80 4.768 -7.318 6.918 1.00 0.00 C ATOM 1296 CG1 VAL A 80 6.099 -7.666 7.586 1.00 0.00 C ATOM 1297 CG2 VAL A 80 3.962 -8.604 6.694 1.00 0.00 C ATOM 0 H VAL A 80 4.579 -4.787 9.156 1.00 0.00 H new ATOM 0 HA VAL A 80 3.125 -5.955 7.268 1.00 0.00 H new ATOM 0 HB VAL A 80 4.955 -6.836 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.660 -8.348 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.678 -6.755 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.910 -8.143 8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.529 -9.282 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.770 -9.085 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.014 -8.360 6.214 1.00 0.00 H new ATOM 1307 N GLU A 81 4.397 -7.358 9.997 1.00 0.00 N ATOM 1308 CA GLU A 81 3.991 -8.114 11.217 1.00 0.00 C ATOM 1309 C GLU A 81 5.130 -8.096 12.239 1.00 0.00 C ATOM 1310 O GLU A 81 6.288 -7.971 11.892 1.00 0.00 O ATOM 1311 CB GLU A 81 3.663 -9.560 10.839 1.00 0.00 C ATOM 1312 CG GLU A 81 2.362 -9.983 11.524 1.00 0.00 C ATOM 1313 CD GLU A 81 2.686 -10.737 12.814 1.00 0.00 C ATOM 1314 OE1 GLU A 81 3.858 -10.960 13.068 1.00 0.00 O ATOM 1315 OE2 GLU A 81 1.757 -11.080 13.527 1.00 0.00 O ATOM 0 H GLU A 81 5.367 -7.043 9.982 1.00 0.00 H new ATOM 0 HA GLU A 81 3.109 -7.645 11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.563 -9.651 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.477 -10.220 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.754 -9.106 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.777 -10.616 10.857 1.00 0.00 H new ATOM 1322 N LYS A 82 4.809 -8.220 13.499 1.00 0.00 N ATOM 1323 CA LYS A 82 5.869 -8.210 14.547 1.00 0.00 C ATOM 1324 C LYS A 82 6.538 -9.586 14.611 1.00 0.00 C ATOM 1325 O LYS A 82 5.959 -10.586 14.236 1.00 0.00 O ATOM 1326 CB LYS A 82 5.241 -7.880 15.904 1.00 0.00 C ATOM 1327 CG LYS A 82 4.409 -6.601 15.782 1.00 0.00 C ATOM 1328 CD LYS A 82 4.658 -5.709 17.000 1.00 0.00 C ATOM 1329 CE LYS A 82 4.326 -4.257 16.647 1.00 0.00 C ATOM 1330 NZ LYS A 82 3.005 -4.202 15.960 1.00 0.00 N ATOM 0 H LYS A 82 3.857 -8.328 13.848 1.00 0.00 H new ATOM 0 HA LYS A 82 6.617 -7.456 14.301 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.612 -8.706 16.236 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.020 -7.750 16.655 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.674 -6.069 14.868 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.350 -6.849 15.711 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.044 -6.040 17.838 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.698 -5.789 17.316 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.303 -3.648 17.551 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.101 -3.842 16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.630 -3.233 16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.119 -4.482 14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.343 -4.853 16.429 1.00 0.00 H new ATOM 1344 N ALA A 83 7.754 -9.644 15.082 1.00 0.00 N ATOM 1345 CA ALA A 83 8.458 -10.955 15.168 1.00 0.00 C ATOM 1346 C ALA A 83 8.844 -11.420 13.762 1.00 0.00 C ATOM 1347 O ALA A 83 8.099 -12.121 13.115 1.00 0.00 O ATOM 1348 CB ALA A 83 7.536 -11.991 15.815 1.00 0.00 C ATOM 0 H ALA A 83 8.290 -8.841 15.411 1.00 0.00 H new ATOM 0 HA ALA A 83 9.358 -10.844 15.773 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.052 -12.949 15.877 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.263 -11.660 16.817 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.635 -12.103 15.212 1.00 0.00 H new ATOM 1354 N VAL A 84 10.013 -11.030 13.306 1.00 0.00 N ATOM 1355 CA VAL A 84 10.516 -11.412 11.939 1.00 0.00 C ATOM 1356 C VAL A 84 11.507 -10.344 11.472 1.00 0.00 C ATOM 1357 O VAL A 84 11.266 -9.647 10.507 1.00 0.00 O ATOM 1358 CB VAL A 84 9.385 -11.483 10.897 1.00 0.00 C ATOM 1359 CG1 VAL A 84 8.794 -12.894 10.853 1.00 0.00 C ATOM 1360 CG2 VAL A 84 8.290 -10.460 11.225 1.00 0.00 C ATOM 0 H VAL A 84 10.659 -10.446 13.838 1.00 0.00 H new ATOM 0 HA VAL A 84 10.974 -12.398 12.020 1.00 0.00 H new ATOM 0 HB VAL A 84 9.800 -11.246 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.995 -12.931 10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.573 -13.607 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.392 -13.151 11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.498 -10.523 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.877 -10.672 12.211 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.716 -9.457 11.218 1.00 0.00 H new ATOM 1370 N ARG A 85 12.616 -10.214 12.162 1.00 0.00 N ATOM 1371 CA ARG A 85 13.647 -9.197 11.787 1.00 0.00 C ATOM 1372 C ARG A 85 13.333 -7.873 12.486 1.00 0.00 C ATOM 1373 O ARG A 85 12.845 -6.974 11.820 1.00 0.00 O ATOM 1374 CB ARG A 85 13.671 -8.986 10.270 1.00 0.00 C ATOM 1375 CG ARG A 85 14.979 -8.299 9.870 1.00 0.00 C ATOM 1376 CD ARG A 85 16.011 -9.356 9.472 1.00 0.00 C ATOM 1377 NE ARG A 85 17.108 -9.386 10.481 1.00 0.00 N ATOM 1378 CZ ARG A 85 17.935 -10.396 10.522 1.00 0.00 C ATOM 1379 NH1 ARG A 85 17.801 -11.389 9.684 1.00 0.00 N ATOM 1380 NH2 ARG A 85 18.898 -10.413 11.404 1.00 0.00 N ATOM 1381 OXT ARG A 85 13.587 -7.779 13.676 1.00 0.00 O ATOM 0 H ARG A 85 12.852 -10.777 12.979 1.00 0.00 H new ATOM 0 HA ARG A 85 14.626 -9.557 12.102 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.580 -9.944 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.820 -8.378 9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.804 -7.616 9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.357 -7.701 10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.537 -10.335 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.416 -9.130 8.486 1.00 0.00 H new ATOM 0 HE ARG A 85 17.213 -8.616 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.049 -11.377 8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.449 -12.176 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.003 -9.638 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.545 -11.201 11.438 1.00 0.00 H new TER 1395 ARG A 85