USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 560 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 44 TYR OH : rot 180:sc= 0.764 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 179:sc= 0.86 (180deg=0) USER MOD Set 1.3: A 57 MET CE :methyl 168:sc= -0.153 (180deg=-0.532) USER MOD Set 2.1: A 38 TYR OH : rot 16:sc= 1.81 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -179:sc= 0.601 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl -147:sc= -0.626 (180deg=-1.7) USER MOD Set 3.2: A 76 MET CE :methyl 177:sc= -1.58 (180deg=-1.42) USER MOD Set 4.1: A 32 GLN : amide:sc= 1.13 K(o=1.7,f=-1.1) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -163:sc= 0.577 (180deg=0) USER MOD Set 5.1: A 19 SER OG : rot -94:sc= 1.89 USER MOD Set 5.2: A 20 LYS NZ :NH3+ -161:sc= 0.661 (180deg=-0.367) USER MOD Single : A 7 TYR OH : rot -163:sc= 1.24 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0.805 (180deg=0.598) USER MOD Single : A 9 SER OG : rot 82:sc= 0.905 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.405 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.043) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.182) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0434) USER MOD Single : A 48 SER OG : rot -107:sc= 1.53 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 167:sc= 0.172 USER MOD Single : A 59 ASN : amide:sc= 0.522 K(o=0.52,f=-0.031) USER MOD Single : A 62 LYS NZ :NH3+ 155:sc=-0.00329 (180deg=-0.628) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00772) USER MOD Single : A 65 SER OG : rot 35:sc= 0.0972 USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 0.728 (180deg=0.706) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 86:sc= 1.01 USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= 0.075 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.462 -10.079 -4.125 1.00 0.00 N ATOM 26 CA GLY A 3 2.282 -9.063 -3.474 1.00 0.00 C ATOM 27 C GLY A 3 3.283 -8.376 -4.403 1.00 0.00 C ATOM 28 O GLY A 3 3.189 -7.174 -4.631 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.627 -8.307 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.826 -9.524 -2.650 1.00 0.00 H new ATOM 32 N ALA A 4 4.233 -9.140 -4.949 1.00 0.00 N ATOM 33 CA ALA A 4 5.279 -8.605 -5.814 1.00 0.00 C ATOM 34 C ALA A 4 4.696 -8.026 -7.106 1.00 0.00 C ATOM 35 O ALA A 4 4.955 -6.871 -7.454 1.00 0.00 O ATOM 36 CB ALA A 4 6.306 -9.699 -6.117 1.00 0.00 C ATOM 0 H ALA A 4 4.295 -10.147 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 4 5.775 -7.787 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.086 -9.297 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.751 -10.048 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.813 -10.532 -6.618 1.00 0.00 H new ATOM 42 N ALA A 5 3.905 -8.840 -7.814 1.00 0.00 N ATOM 43 CA ALA A 5 3.274 -8.452 -9.070 1.00 0.00 C ATOM 44 C ALA A 5 2.449 -7.174 -8.910 1.00 0.00 C ATOM 45 O ALA A 5 2.317 -6.403 -9.855 1.00 0.00 O ATOM 46 CB ALA A 5 2.411 -9.597 -9.604 1.00 0.00 C ATOM 0 H ALA A 5 3.686 -9.793 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 5 4.061 -8.242 -9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.945 -9.295 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.035 -10.474 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.637 -9.839 -8.876 1.00 0.00 H new ATOM 52 N LEU A 6 1.874 -6.962 -7.726 1.00 0.00 N ATOM 53 CA LEU A 6 1.125 -5.756 -7.419 1.00 0.00 C ATOM 54 C LEU A 6 2.101 -4.612 -7.141 1.00 0.00 C ATOM 55 O LEU A 6 2.060 -3.578 -7.809 1.00 0.00 O ATOM 56 CB LEU A 6 0.228 -5.998 -6.209 1.00 0.00 C ATOM 57 CG LEU A 6 -0.842 -7.049 -6.526 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.225 -7.738 -5.228 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.094 -6.428 -7.154 1.00 0.00 C ATOM 0 H LEU A 6 1.918 -7.628 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 6 0.496 -5.488 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.831 -6.330 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.250 -5.064 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.431 -7.755 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.987 -8.492 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.346 -8.216 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.618 -7.001 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.824 -7.211 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.526 -5.703 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.825 -5.928 -8.084 1.00 0.00 H new ATOM 71 N TYR A 7 2.988 -4.817 -6.161 1.00 0.00 N ATOM 72 CA TYR A 7 3.939 -3.831 -5.666 1.00 0.00 C ATOM 73 C TYR A 7 4.763 -3.164 -6.766 1.00 0.00 C ATOM 74 O TYR A 7 5.071 -1.975 -6.661 1.00 0.00 O ATOM 75 CB TYR A 7 4.827 -4.442 -4.577 1.00 0.00 C ATOM 76 CG TYR A 7 5.661 -3.413 -3.843 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.027 -2.378 -3.131 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.061 -3.421 -3.959 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.787 -1.345 -2.558 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.823 -2.431 -3.318 1.00 0.00 C ATOM 81 CZ TYR A 7 7.188 -1.384 -2.628 1.00 0.00 C ATOM 82 OH TYR A 7 7.919 -0.376 -2.076 1.00 0.00 O ATOM 0 H TYR A 7 3.061 -5.711 -5.676 1.00 0.00 H new ATOM 0 HA TYR A 7 3.351 -3.025 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.200 -4.971 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.488 -5.182 -5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.952 -2.378 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.551 -4.188 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.293 -0.521 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.901 -2.474 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 7 8.832 -0.403 -2.430 1.00 0.00 H new ATOM 92 N LYS A 8 5.094 -3.895 -7.836 1.00 0.00 N ATOM 93 CA LYS A 8 5.815 -3.324 -8.973 1.00 0.00 C ATOM 94 C LYS A 8 5.112 -2.081 -9.555 1.00 0.00 C ATOM 95 O LYS A 8 5.743 -1.271 -10.229 1.00 0.00 O ATOM 96 CB LYS A 8 6.055 -4.409 -10.029 1.00 0.00 C ATOM 97 CG LYS A 8 4.767 -4.851 -10.734 1.00 0.00 C ATOM 98 CD LYS A 8 4.662 -4.257 -12.146 1.00 0.00 C ATOM 99 CE LYS A 8 3.274 -4.492 -12.755 1.00 0.00 C ATOM 100 NZ LYS A 8 2.871 -5.908 -12.701 1.00 0.00 N ATOM 0 H LYS A 8 4.872 -4.886 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 8 6.783 -2.967 -8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.760 -4.036 -10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.519 -5.274 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.739 -5.939 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.904 -4.542 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.867 -3.187 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.422 -4.704 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.539 -3.887 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.273 -4.156 -13.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.031 -6.053 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.649 -6.504 -13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.648 -6.168 -11.719 1.00 0.00 H new ATOM 114 N SER A 9 3.808 -1.930 -9.301 1.00 0.00 N ATOM 115 CA SER A 9 2.999 -0.795 -9.730 1.00 0.00 C ATOM 116 C SER A 9 3.054 0.362 -8.722 1.00 0.00 C ATOM 117 O SER A 9 2.734 1.497 -9.063 1.00 0.00 O ATOM 118 CB SER A 9 1.537 -1.246 -9.868 1.00 0.00 C ATOM 119 OG SER A 9 1.445 -2.582 -10.326 1.00 0.00 O ATOM 0 H SER A 9 3.273 -2.620 -8.773 1.00 0.00 H new ATOM 0 HA SER A 9 3.398 -0.443 -10.681 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.035 -1.156 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.016 -0.586 -10.562 1.00 0.00 H new ATOM 0 HG SER A 9 1.569 -3.196 -9.572 1.00 0.00 H new ATOM 125 N CYS A 10 3.391 0.054 -7.466 1.00 0.00 N ATOM 126 CA CYS A 10 3.384 0.962 -6.326 1.00 0.00 C ATOM 127 C CYS A 10 4.732 1.645 -6.138 1.00 0.00 C ATOM 128 O CYS A 10 4.791 2.776 -5.649 1.00 0.00 O ATOM 129 CB CYS A 10 3.020 0.173 -5.065 1.00 0.00 C ATOM 130 SG CYS A 10 1.567 -0.909 -5.204 1.00 0.00 S ATOM 0 H CYS A 10 3.691 -0.886 -7.209 1.00 0.00 H new ATOM 0 HA CYS A 10 2.646 1.742 -6.512 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.878 -0.436 -4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.847 0.880 -4.254 1.00 0.00 H new ATOM 0 HG CYS A 10 1.370 -1.518 -4.073 1.00 0.00 H new ATOM 135 N ILE A 11 5.821 0.943 -6.471 1.00 0.00 N ATOM 136 CA ILE A 11 7.157 1.528 -6.415 1.00 0.00 C ATOM 137 C ILE A 11 7.196 2.827 -7.228 1.00 0.00 C ATOM 138 O ILE A 11 6.350 3.069 -8.086 1.00 0.00 O ATOM 139 CB ILE A 11 8.237 0.542 -6.896 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.904 -0.039 -8.278 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.422 -0.566 -5.856 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.071 -0.813 -8.898 1.00 0.00 C ATOM 0 H ILE A 11 5.799 -0.029 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 11 7.380 1.757 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 11 9.176 1.085 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.042 -0.701 -8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.616 0.772 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.187 -1.263 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.730 -0.127 -4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.481 -1.099 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.774 -1.199 -9.873 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.927 -0.148 -9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.344 -1.643 -8.247 1.00 0.00 H new ATOM 154 N GLY A 12 8.184 3.676 -6.949 1.00 0.00 N ATOM 155 CA GLY A 12 8.316 4.961 -7.617 1.00 0.00 C ATOM 156 C GLY A 12 7.822 6.078 -6.704 1.00 0.00 C ATOM 157 O GLY A 12 8.580 7.007 -6.443 1.00 0.00 O ATOM 0 H GLY A 12 8.910 3.490 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.358 5.135 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.743 4.958 -8.544 1.00 0.00 H new ATOM 161 N CYS A 13 6.583 6.001 -6.191 1.00 0.00 N ATOM 162 CA CYS A 13 6.129 7.022 -5.245 1.00 0.00 C ATOM 163 C CYS A 13 6.888 6.752 -3.958 1.00 0.00 C ATOM 164 O CYS A 13 7.652 7.570 -3.463 1.00 0.00 O ATOM 165 CB CYS A 13 4.619 6.935 -4.969 1.00 0.00 C ATOM 166 SG CYS A 13 3.587 8.080 -5.913 1.00 0.00 S ATOM 0 H CYS A 13 5.904 5.271 -6.407 1.00 0.00 H new ATOM 0 HA CYS A 13 6.313 8.016 -5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.287 5.918 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.451 7.113 -3.907 1.00 0.00 H new ATOM 0 HG CYS A 13 2.339 7.906 -5.592 1.00 0.00 H new ATOM 171 N HIS A 14 6.663 5.543 -3.456 1.00 0.00 N ATOM 172 CA HIS A 14 7.238 4.992 -2.249 1.00 0.00 C ATOM 173 C HIS A 14 8.762 4.894 -2.317 1.00 0.00 C ATOM 174 O HIS A 14 9.448 5.058 -1.306 1.00 0.00 O ATOM 175 CB HIS A 14 6.576 3.620 -2.084 1.00 0.00 C ATOM 176 CG HIS A 14 5.188 3.772 -1.556 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.981 4.190 -0.257 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.946 3.734 -2.141 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.666 4.352 -0.106 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.962 3.997 -1.183 1.00 0.00 N ATOM 0 H HIS A 14 6.033 4.885 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 14 7.052 5.636 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.552 3.103 -3.043 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.165 3.004 -1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.758 3.531 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.215 4.733 0.798 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.949 3.933 -1.283 1.00 0.00 H new ATOM 188 N GLY A 15 9.288 4.616 -3.507 1.00 0.00 N ATOM 189 CA GLY A 15 10.699 4.381 -3.746 1.00 0.00 C ATOM 190 C GLY A 15 10.807 2.942 -4.220 1.00 0.00 C ATOM 191 O GLY A 15 9.973 2.510 -5.015 1.00 0.00 O ATOM 0 H GLY A 15 8.723 4.547 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.088 5.070 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.280 4.538 -2.837 1.00 0.00 H new ATOM 195 N ALA A 16 11.809 2.217 -3.716 1.00 0.00 N ATOM 196 CA ALA A 16 11.996 0.795 -3.967 1.00 0.00 C ATOM 197 C ALA A 16 11.540 0.054 -2.711 1.00 0.00 C ATOM 198 O ALA A 16 10.566 -0.692 -2.738 1.00 0.00 O ATOM 199 CB ALA A 16 13.463 0.511 -4.309 1.00 0.00 C ATOM 0 H ALA A 16 12.526 2.616 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 16 11.409 0.456 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.593 -0.555 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.744 1.072 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.096 0.814 -3.475 1.00 0.00 H new ATOM 205 N ASP A 17 12.224 0.302 -1.592 1.00 0.00 N ATOM 206 CA ASP A 17 11.895 -0.278 -0.294 1.00 0.00 C ATOM 207 C ASP A 17 10.564 0.267 0.227 1.00 0.00 C ATOM 208 O ASP A 17 9.755 -0.470 0.779 1.00 0.00 O ATOM 209 CB ASP A 17 13.031 -0.005 0.708 1.00 0.00 C ATOM 210 CG ASP A 17 13.200 1.477 1.054 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.134 2.302 0.113 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.380 1.772 2.253 1.00 0.00 O ATOM 0 H ASP A 17 13.034 0.921 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 17 11.787 -1.356 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.838 -0.564 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.967 -0.382 0.295 1.00 0.00 H new ATOM 217 N GLY A 18 10.359 1.572 0.047 1.00 0.00 N ATOM 218 CA GLY A 18 9.183 2.302 0.474 1.00 0.00 C ATOM 219 C GLY A 18 9.565 3.301 1.555 1.00 0.00 C ATOM 220 O GLY A 18 9.084 3.209 2.681 1.00 0.00 O ATOM 0 H GLY A 18 11.042 2.167 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.738 2.822 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.431 1.610 0.854 1.00 0.00 H new ATOM 224 N SER A 19 10.427 4.253 1.197 1.00 0.00 N ATOM 225 CA SER A 19 11.028 5.234 2.074 1.00 0.00 C ATOM 226 C SER A 19 10.476 6.650 1.899 1.00 0.00 C ATOM 227 O SER A 19 10.485 7.418 2.859 1.00 0.00 O ATOM 228 CB SER A 19 12.527 5.235 1.748 1.00 0.00 C ATOM 229 OG SER A 19 12.745 5.007 0.363 1.00 0.00 O ATOM 0 H SER A 19 10.736 4.358 0.231 1.00 0.00 H new ATOM 0 HA SER A 19 10.806 4.960 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.965 6.190 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.031 4.464 2.331 1.00 0.00 H new ATOM 0 HG SER A 19 12.893 4.051 0.208 1.00 0.00 H new ATOM 235 N LYS A 20 10.044 7.034 0.695 1.00 0.00 N ATOM 236 CA LYS A 20 9.690 8.426 0.450 1.00 0.00 C ATOM 237 C LYS A 20 8.346 8.832 1.048 1.00 0.00 C ATOM 238 O LYS A 20 7.327 8.177 0.825 1.00 0.00 O ATOM 239 CB LYS A 20 9.677 8.761 -1.048 1.00 0.00 C ATOM 240 CG LYS A 20 10.840 8.193 -1.866 1.00 0.00 C ATOM 241 CD LYS A 20 12.210 8.531 -1.259 1.00 0.00 C ATOM 242 CE LYS A 20 13.360 7.958 -2.093 1.00 0.00 C ATOM 243 NZ LYS A 20 13.315 6.486 -2.136 1.00 0.00 N ATOM 0 H LYS A 20 9.934 6.413 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 20 10.471 8.996 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.744 8.395 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.674 9.845 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.735 7.110 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.790 8.585 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.318 9.613 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.265 8.136 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.308 8.354 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.312 8.282 -1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.246 6.118 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.067 6.119 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.600 6.181 -2.827 1.00 0.00 H new ATOM 257 N ALA A 21 8.335 9.971 1.745 1.00 0.00 N ATOM 258 CA ALA A 21 7.111 10.613 2.190 1.00 0.00 C ATOM 259 C ALA A 21 6.567 11.330 0.949 1.00 0.00 C ATOM 260 O ALA A 21 6.706 12.543 0.824 1.00 0.00 O ATOM 261 CB ALA A 21 7.420 11.576 3.341 1.00 0.00 C ATOM 0 H ALA A 21 9.183 10.470 2.014 1.00 0.00 H new ATOM 0 HA ALA A 21 6.373 9.913 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.499 12.055 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.859 11.022 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.123 12.336 3.000 1.00 0.00 H new ATOM 267 N ALA A 22 6.048 10.535 0.005 1.00 0.00 N ATOM 268 CA ALA A 22 5.586 10.934 -1.321 1.00 0.00 C ATOM 269 C ALA A 22 4.547 12.060 -1.304 1.00 0.00 C ATOM 270 O ALA A 22 4.884 13.231 -1.141 1.00 0.00 O ATOM 271 CB ALA A 22 5.160 9.668 -2.077 1.00 0.00 C ATOM 0 H ALA A 22 5.934 9.534 0.162 1.00 0.00 H new ATOM 0 HA ALA A 22 6.405 11.400 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.810 9.939 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.011 8.992 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.356 9.172 -1.533 1.00 0.00 H new ATOM 277 N MET A 23 3.281 11.732 -1.549 1.00 0.00 N ATOM 278 CA MET A 23 2.211 12.725 -1.505 1.00 0.00 C ATOM 279 C MET A 23 1.961 13.150 -0.051 1.00 0.00 C ATOM 280 O MET A 23 0.999 12.718 0.579 1.00 0.00 O ATOM 281 CB MET A 23 0.936 12.205 -2.186 1.00 0.00 C ATOM 282 CG MET A 23 0.993 12.325 -3.711 1.00 0.00 C ATOM 283 SD MET A 23 -0.581 11.942 -4.525 1.00 0.00 S ATOM 284 CE MET A 23 -0.239 12.579 -6.181 1.00 0.00 C ATOM 0 H MET A 23 2.971 10.788 -1.780 1.00 0.00 H new ATOM 0 HA MET A 23 2.520 13.606 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.782 11.161 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.076 12.762 -1.813 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.293 13.338 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.763 11.654 -4.092 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.110 12.423 -6.818 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.018 13.645 -6.122 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.618 12.054 -6.603 1.00 0.00 H new ATOM 294 N GLY A 24 2.831 14.007 0.485 1.00 0.00 N ATOM 295 CA GLY A 24 2.736 14.514 1.845 1.00 0.00 C ATOM 296 C GLY A 24 3.413 13.570 2.836 1.00 0.00 C ATOM 297 O GLY A 24 4.039 12.587 2.440 1.00 0.00 O ATOM 0 H GLY A 24 3.634 14.372 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.200 15.499 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.688 14.639 2.117 1.00 0.00 H new ATOM 301 N SER A 25 3.276 13.872 4.132 1.00 0.00 N ATOM 302 CA SER A 25 3.871 13.158 5.255 1.00 0.00 C ATOM 303 C SER A 25 3.352 11.724 5.416 1.00 0.00 C ATOM 304 O SER A 25 2.695 11.393 6.400 1.00 0.00 O ATOM 305 CB SER A 25 3.608 13.984 6.516 1.00 0.00 C ATOM 306 OG SER A 25 3.871 15.349 6.246 1.00 0.00 O ATOM 0 H SER A 25 2.714 14.667 4.437 1.00 0.00 H new ATOM 0 HA SER A 25 4.940 13.048 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.574 13.858 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.241 13.635 7.332 1.00 0.00 H new ATOM 0 HG SER A 25 3.702 15.880 7.052 1.00 0.00 H new ATOM 312 N ALA A 26 3.658 10.869 4.445 1.00 0.00 N ATOM 313 CA ALA A 26 3.269 9.473 4.421 1.00 0.00 C ATOM 314 C ALA A 26 4.205 8.652 5.311 1.00 0.00 C ATOM 315 O ALA A 26 5.419 8.807 5.179 1.00 0.00 O ATOM 316 CB ALA A 26 3.327 8.980 2.969 1.00 0.00 C ATOM 0 H ALA A 26 4.203 11.144 3.627 1.00 0.00 H new ATOM 0 HA ALA A 26 2.256 9.357 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.037 7.930 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.643 9.568 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.342 9.091 2.587 1.00 0.00 H new ATOM 322 N LYS A 27 3.693 7.795 6.212 1.00 0.00 N ATOM 323 CA LYS A 27 4.589 6.924 6.963 1.00 0.00 C ATOM 324 C LYS A 27 5.268 6.047 5.911 1.00 0.00 C ATOM 325 O LYS A 27 4.579 5.550 5.016 1.00 0.00 O ATOM 326 CB LYS A 27 3.886 6.045 8.020 1.00 0.00 C ATOM 327 CG LYS A 27 2.610 6.617 8.645 1.00 0.00 C ATOM 328 CD LYS A 27 2.790 8.008 9.270 1.00 0.00 C ATOM 329 CE LYS A 27 1.541 8.425 10.057 1.00 0.00 C ATOM 330 NZ LYS A 27 0.319 8.344 9.236 1.00 0.00 N ATOM 0 H LYS A 27 2.701 7.694 6.427 1.00 0.00 H new ATOM 0 HA LYS A 27 5.286 7.531 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.641 5.088 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.596 5.841 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.836 6.671 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.253 5.929 9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.656 8.004 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.991 8.739 8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.433 7.784 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.666 9.444 10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.471 8.791 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.474 8.838 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.091 7.346 9.050 1.00 0.00 H new ATOM 344 N PRO A 28 6.594 5.875 5.954 1.00 0.00 N ATOM 345 CA PRO A 28 7.271 5.086 4.950 1.00 0.00 C ATOM 346 C PRO A 28 6.713 3.665 4.988 1.00 0.00 C ATOM 347 O PRO A 28 6.370 3.144 6.047 1.00 0.00 O ATOM 348 CB PRO A 28 8.759 5.192 5.285 1.00 0.00 C ATOM 349 CG PRO A 28 8.765 5.459 6.792 1.00 0.00 C ATOM 350 CD PRO A 28 7.511 6.312 6.991 1.00 0.00 C ATOM 0 HA PRO A 28 7.119 5.430 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.293 4.275 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.239 5.999 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.720 4.534 7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.666 5.986 7.106 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.085 6.163 7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.737 7.374 6.897 1.00 0.00 H new ATOM 358 N VAL A 29 6.564 3.057 3.816 1.00 0.00 N ATOM 359 CA VAL A 29 5.946 1.753 3.685 1.00 0.00 C ATOM 360 C VAL A 29 6.873 0.643 4.167 1.00 0.00 C ATOM 361 O VAL A 29 6.371 -0.302 4.774 1.00 0.00 O ATOM 362 CB VAL A 29 5.453 1.562 2.239 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.473 0.111 1.754 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.007 2.059 2.154 1.00 0.00 C ATOM 0 H VAL A 29 6.871 3.460 2.931 1.00 0.00 H new ATOM 0 HA VAL A 29 5.073 1.695 4.336 1.00 0.00 H new ATOM 0 HB VAL A 29 6.138 2.123 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.111 0.066 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.492 -0.273 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.830 -0.495 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.638 1.932 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.384 1.485 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.968 3.114 2.425 1.00 0.00 H new ATOM 374 N LYS A 30 8.183 0.759 3.891 1.00 0.00 N ATOM 375 CA LYS A 30 9.235 -0.193 4.177 1.00 0.00 C ATOM 376 C LYS A 30 8.964 -1.006 5.451 1.00 0.00 C ATOM 377 O LYS A 30 9.326 -0.607 6.554 1.00 0.00 O ATOM 378 CB LYS A 30 10.560 0.576 4.162 1.00 0.00 C ATOM 379 CG LYS A 30 10.780 1.567 5.315 1.00 0.00 C ATOM 380 CD LYS A 30 11.968 2.482 5.005 1.00 0.00 C ATOM 381 CE LYS A 30 12.224 3.448 6.166 1.00 0.00 C ATOM 382 NZ LYS A 30 13.333 4.369 5.863 1.00 0.00 N ATOM 0 H LYS A 30 8.547 1.591 3.426 1.00 0.00 H new ATOM 0 HA LYS A 30 9.282 -0.968 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.376 -0.147 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.628 1.123 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.881 2.165 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.962 1.023 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.859 1.881 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.771 3.046 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.319 4.020 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.455 2.882 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.482 5.010 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.201 3.823 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.100 4.926 5.016 1.00 0.00 H new ATOM 396 N GLY A 31 8.278 -2.138 5.285 1.00 0.00 N ATOM 397 CA GLY A 31 7.832 -3.010 6.353 1.00 0.00 C ATOM 398 C GLY A 31 7.323 -2.273 7.601 1.00 0.00 C ATOM 399 O GLY A 31 7.711 -2.652 8.704 1.00 0.00 O ATOM 0 H GLY A 31 8.011 -2.479 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.036 -3.651 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.656 -3.662 6.642 1.00 0.00 H new ATOM 403 N GLN A 32 6.443 -1.260 7.470 1.00 0.00 N ATOM 404 CA GLN A 32 5.973 -0.522 8.658 1.00 0.00 C ATOM 405 C GLN A 32 5.302 -1.440 9.696 1.00 0.00 C ATOM 406 O GLN A 32 5.322 -1.164 10.893 1.00 0.00 O ATOM 407 CB GLN A 32 5.204 0.780 8.338 1.00 0.00 C ATOM 408 CG GLN A 32 3.945 0.571 7.504 1.00 0.00 C ATOM 409 CD GLN A 32 3.097 1.817 7.216 1.00 0.00 C ATOM 410 OE1 GLN A 32 1.948 1.869 7.648 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.602 2.797 6.467 1.00 0.00 N ATOM 0 H GLN A 32 6.054 -0.942 6.583 1.00 0.00 H new ATOM 0 HA GLN A 32 6.871 -0.151 9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.930 1.267 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.869 1.461 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.237 0.130 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.316 -0.159 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.559 2.732 6.119 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.032 3.612 6.241 1.00 0.00 H new ATOM 420 N GLY A 33 4.741 -2.549 9.221 1.00 0.00 N ATOM 421 CA GLY A 33 4.186 -3.649 9.999 1.00 0.00 C ATOM 422 C GLY A 33 3.267 -4.469 9.096 1.00 0.00 C ATOM 423 O GLY A 33 2.492 -3.876 8.359 1.00 0.00 O ATOM 0 H GLY A 33 4.657 -2.712 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.986 -4.275 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.631 -3.265 10.855 1.00 0.00 H new ATOM 427 N ALA A 34 3.324 -5.806 9.100 1.00 0.00 N ATOM 428 CA ALA A 34 2.453 -6.576 8.210 1.00 0.00 C ATOM 429 C ALA A 34 0.985 -6.370 8.579 1.00 0.00 C ATOM 430 O ALA A 34 0.153 -6.167 7.701 1.00 0.00 O ATOM 431 CB ALA A 34 2.824 -8.061 8.170 1.00 0.00 C ATOM 0 H ALA A 34 3.944 -6.361 9.690 1.00 0.00 H new ATOM 0 HA ALA A 34 2.605 -6.197 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.148 -8.587 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.849 -8.171 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.740 -8.484 9.171 1.00 0.00 H new ATOM 437 N GLU A 35 0.658 -6.403 9.873 1.00 0.00 N ATOM 438 CA GLU A 35 -0.701 -6.145 10.325 1.00 0.00 C ATOM 439 C GLU A 35 -1.087 -4.706 9.963 1.00 0.00 C ATOM 440 O GLU A 35 -2.157 -4.478 9.399 1.00 0.00 O ATOM 441 CB GLU A 35 -0.888 -6.461 11.824 1.00 0.00 C ATOM 442 CG GLU A 35 0.365 -6.494 12.717 1.00 0.00 C ATOM 443 CD GLU A 35 1.068 -5.144 12.809 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.870 -4.868 11.890 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.775 -4.408 13.774 1.00 0.00 O ATOM 0 H GLU A 35 1.320 -6.606 10.622 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.383 -6.821 9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.574 -5.722 12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.379 -7.431 11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.082 -6.819 13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.063 -7.235 12.327 1.00 0.00 H new ATOM 452 N GLU A 36 -0.194 -3.757 10.272 1.00 0.00 N ATOM 453 CA GLU A 36 -0.324 -2.343 9.991 1.00 0.00 C ATOM 454 C GLU A 36 -0.745 -2.156 8.534 1.00 0.00 C ATOM 455 O GLU A 36 -1.797 -1.601 8.228 1.00 0.00 O ATOM 456 CB GLU A 36 1.063 -1.729 10.262 1.00 0.00 C ATOM 457 CG GLU A 36 1.075 -0.244 10.587 1.00 0.00 C ATOM 458 CD GLU A 36 0.302 0.129 11.851 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.199 -0.740 12.744 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.167 1.287 11.902 1.00 0.00 O ATOM 0 H GLU A 36 0.680 -3.978 10.749 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.081 -1.860 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.522 -2.267 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.691 -1.896 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.109 0.084 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.655 0.304 9.743 1.00 0.00 H new ATOM 467 N LEU A 37 0.096 -2.668 7.640 1.00 0.00 N ATOM 468 CA LEU A 37 -0.081 -2.602 6.211 1.00 0.00 C ATOM 469 C LEU A 37 -1.382 -3.297 5.830 1.00 0.00 C ATOM 470 O LEU A 37 -2.233 -2.638 5.251 1.00 0.00 O ATOM 471 CB LEU A 37 1.151 -3.207 5.524 1.00 0.00 C ATOM 472 CG LEU A 37 2.407 -2.327 5.684 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.653 -3.140 5.326 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.325 -1.080 4.800 1.00 0.00 C ATOM 0 H LEU A 37 0.949 -3.157 7.912 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.163 -1.569 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.348 -4.195 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.941 -3.345 4.463 1.00 0.00 H new ATOM 0 HG LEU A 37 2.468 -2.001 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.540 -2.516 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.728 -4.002 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.580 -3.482 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.224 -0.479 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.241 -1.379 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.451 -0.492 5.080 1.00 0.00 H new ATOM 486 N TYR A 38 -1.566 -4.584 6.154 1.00 0.00 N ATOM 487 CA TYR A 38 -2.765 -5.354 5.811 1.00 0.00 C ATOM 488 C TYR A 38 -4.029 -4.537 6.016 1.00 0.00 C ATOM 489 O TYR A 38 -4.811 -4.306 5.096 1.00 0.00 O ATOM 490 CB TYR A 38 -2.881 -6.609 6.680 1.00 0.00 C ATOM 491 CG TYR A 38 -4.098 -7.470 6.360 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.421 -7.783 5.023 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.006 -7.804 7.384 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.642 -8.408 4.714 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.213 -8.458 7.075 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.526 -8.770 5.742 1.00 0.00 C ATOM 497 OH TYR A 38 -7.705 -9.394 5.453 1.00 0.00 O ATOM 0 H TYR A 38 -0.873 -5.126 6.670 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.664 -5.627 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.980 -7.210 6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.924 -6.311 7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.726 -7.541 4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.775 -7.557 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.900 -8.610 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.901 -8.721 7.865 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.675 -9.742 4.537 1.00 0.00 H new ATOM 507 N LYS A 39 -4.197 -4.132 7.269 1.00 0.00 N ATOM 508 CA LYS A 39 -5.327 -3.325 7.704 1.00 0.00 C ATOM 509 C LYS A 39 -5.502 -2.093 6.813 1.00 0.00 C ATOM 510 O LYS A 39 -6.613 -1.777 6.403 1.00 0.00 O ATOM 511 CB LYS A 39 -5.131 -2.916 9.168 1.00 0.00 C ATOM 512 CG LYS A 39 -5.281 -4.117 10.111 1.00 0.00 C ATOM 513 CD LYS A 39 -4.885 -3.712 11.536 1.00 0.00 C ATOM 514 CE LYS A 39 -4.917 -4.905 12.498 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.275 -5.459 12.646 1.00 0.00 N ATOM 0 H LYS A 39 -3.544 -4.358 8.019 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.236 -3.920 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.143 -2.474 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.859 -2.150 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.310 -4.475 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.653 -4.940 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.884 -3.280 11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.563 -2.938 11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.246 -5.683 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.544 -4.594 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.264 -6.219 13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.925 -4.708 12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.595 -5.842 11.733 1.00 0.00 H new ATOM 529 N LYS A 40 -4.412 -1.394 6.509 1.00 0.00 N ATOM 530 CA LYS A 40 -4.420 -0.204 5.673 1.00 0.00 C ATOM 531 C LYS A 40 -4.728 -0.521 4.206 1.00 0.00 C ATOM 532 O LYS A 40 -5.546 0.184 3.623 1.00 0.00 O ATOM 533 CB LYS A 40 -3.097 0.522 5.890 1.00 0.00 C ATOM 534 CG LYS A 40 -3.119 1.111 7.312 1.00 0.00 C ATOM 535 CD LYS A 40 -1.830 1.877 7.580 1.00 0.00 C ATOM 536 CE LYS A 40 -1.622 2.200 9.058 1.00 0.00 C ATOM 537 NZ LYS A 40 -0.377 2.969 9.240 1.00 0.00 N ATOM 0 H LYS A 40 -3.482 -1.646 6.845 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.234 0.460 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.259 -0.165 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.967 1.312 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.976 1.775 7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.235 0.311 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.984 1.291 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.841 2.806 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.470 2.772 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.576 1.277 9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.092 2.937 10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.375 2.556 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.535 3.957 8.956 1.00 0.00 H new ATOM 551 N MET A 41 -4.124 -1.540 3.577 1.00 0.00 N ATOM 552 CA MET A 41 -4.528 -1.937 2.240 1.00 0.00 C ATOM 553 C MET A 41 -6.029 -2.237 2.234 1.00 0.00 C ATOM 554 O MET A 41 -6.742 -1.785 1.342 1.00 0.00 O ATOM 555 CB MET A 41 -3.742 -3.133 1.675 1.00 0.00 C ATOM 556 CG MET A 41 -2.554 -3.756 2.404 1.00 0.00 C ATOM 557 SD MET A 41 -1.012 -2.839 2.470 1.00 0.00 S ATOM 558 CE MET A 41 -0.838 -2.429 0.725 1.00 0.00 C ATOM 0 H MET A 41 -3.364 -2.092 3.975 1.00 0.00 H new ATOM 0 HA MET A 41 -4.299 -1.099 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.465 -3.934 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.380 -2.831 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.863 -3.958 3.429 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.347 -4.719 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.219 -2.407 0.460 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.347 -3.181 0.122 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.280 -1.451 0.535 1.00 0.00 H new ATOM 568 N LYS A 42 -6.509 -2.991 3.230 1.00 0.00 N ATOM 569 CA LYS A 42 -7.927 -3.299 3.368 1.00 0.00 C ATOM 570 C LYS A 42 -8.708 -1.986 3.509 1.00 0.00 C ATOM 571 O LYS A 42 -9.759 -1.811 2.901 1.00 0.00 O ATOM 572 CB LYS A 42 -8.121 -4.257 4.552 1.00 0.00 C ATOM 573 CG LYS A 42 -9.407 -5.081 4.433 1.00 0.00 C ATOM 574 CD LYS A 42 -9.395 -6.173 5.510 1.00 0.00 C ATOM 575 CE LYS A 42 -10.536 -7.174 5.309 1.00 0.00 C ATOM 576 NZ LYS A 42 -10.398 -8.318 6.227 1.00 0.00 N ATOM 0 H LYS A 42 -5.923 -3.401 3.958 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.315 -3.808 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.266 -4.930 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.144 -3.684 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.279 -4.439 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.478 -5.529 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.440 -6.699 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.481 -5.715 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.493 -6.680 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.538 -7.528 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.173 -8.992 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.487 -8.790 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.437 -7.981 7.210 1.00 0.00 H new ATOM 590 N GLY A 43 -8.154 -1.061 4.291 1.00 0.00 N ATOM 591 CA GLY A 43 -8.587 0.304 4.499 1.00 0.00 C ATOM 592 C GLY A 43 -8.898 0.980 3.164 1.00 0.00 C ATOM 593 O GLY A 43 -10.028 1.383 2.879 1.00 0.00 O ATOM 0 H GLY A 43 -7.320 -1.274 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.473 0.317 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.811 0.862 5.023 1.00 0.00 H new ATOM 597 N TYR A 44 -7.850 1.096 2.349 1.00 0.00 N ATOM 598 CA TYR A 44 -7.876 1.708 1.042 1.00 0.00 C ATOM 599 C TYR A 44 -8.887 0.992 0.149 1.00 0.00 C ATOM 600 O TYR A 44 -9.764 1.622 -0.435 1.00 0.00 O ATOM 601 CB TYR A 44 -6.464 1.627 0.445 1.00 0.00 C ATOM 602 CG TYR A 44 -5.412 2.571 1.013 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.703 3.934 1.205 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.103 2.111 1.263 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.777 4.770 1.851 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.130 2.993 1.769 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.474 4.310 2.092 1.00 0.00 C ATOM 608 OH TYR A 44 -2.524 5.158 2.575 1.00 0.00 O ATOM 0 H TYR A 44 -6.925 0.748 2.602 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.180 2.752 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.103 0.606 0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.539 1.811 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.641 4.339 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.847 1.081 1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.067 5.763 2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.115 2.652 1.908 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.679 4.674 2.684 1.00 0.00 H new ATOM 618 N ALA A 45 -8.768 -0.331 0.048 1.00 0.00 N ATOM 619 CA ALA A 45 -9.662 -1.158 -0.747 1.00 0.00 C ATOM 620 C ALA A 45 -11.126 -0.944 -0.353 1.00 0.00 C ATOM 621 O ALA A 45 -11.991 -0.893 -1.223 1.00 0.00 O ATOM 622 CB ALA A 45 -9.260 -2.630 -0.628 1.00 0.00 C ATOM 0 H ALA A 45 -8.038 -0.861 0.523 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.569 -0.858 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.935 -3.241 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.239 -2.759 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.319 -2.940 0.415 1.00 0.00 H new ATOM 628 N ASP A 46 -11.410 -0.812 0.946 1.00 0.00 N ATOM 629 CA ASP A 46 -12.757 -0.560 1.433 1.00 0.00 C ATOM 630 C ASP A 46 -13.182 0.863 1.066 1.00 0.00 C ATOM 631 O ASP A 46 -14.357 1.114 0.811 1.00 0.00 O ATOM 632 CB ASP A 46 -12.807 -0.799 2.945 1.00 0.00 C ATOM 633 CG ASP A 46 -14.205 -0.558 3.503 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.106 -1.348 3.148 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.340 0.404 4.291 1.00 0.00 O ATOM 0 H ASP A 46 -10.709 -0.878 1.684 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.460 -1.246 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.498 -1.821 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.097 -0.139 3.442 1.00 0.00 H new ATOM 640 N GLY A 47 -12.226 1.797 1.052 1.00 0.00 N ATOM 641 CA GLY A 47 -12.448 3.184 0.671 1.00 0.00 C ATOM 642 C GLY A 47 -12.644 4.092 1.881 1.00 0.00 C ATOM 643 O GLY A 47 -12.747 5.306 1.724 1.00 0.00 O ATOM 0 H GLY A 47 -11.259 1.600 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.599 3.539 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.325 3.246 0.027 1.00 0.00 H new ATOM 647 N SER A 48 -12.689 3.525 3.088 1.00 0.00 N ATOM 648 CA SER A 48 -12.844 4.258 4.321 1.00 0.00 C ATOM 649 C SER A 48 -11.525 4.959 4.629 1.00 0.00 C ATOM 650 O SER A 48 -11.448 6.182 4.732 1.00 0.00 O ATOM 651 CB SER A 48 -13.178 3.215 5.387 1.00 0.00 C ATOM 652 OG SER A 48 -12.399 2.048 5.173 1.00 0.00 O ATOM 0 H SER A 48 -12.616 2.517 3.226 1.00 0.00 H new ATOM 0 HA SER A 48 -13.626 5.016 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.980 3.619 6.380 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.239 2.968 5.349 1.00 0.00 H new ATOM 0 HG SER A 48 -12.971 1.332 4.825 1.00 0.00 H new ATOM 658 N TYR A 49 -10.477 4.152 4.779 1.00 0.00 N ATOM 659 CA TYR A 49 -9.137 4.633 5.053 1.00 0.00 C ATOM 660 C TYR A 49 -8.563 5.239 3.771 1.00 0.00 C ATOM 661 O TYR A 49 -7.753 4.612 3.101 1.00 0.00 O ATOM 662 CB TYR A 49 -8.283 3.471 5.576 1.00 0.00 C ATOM 663 CG TYR A 49 -6.956 3.880 6.154 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.891 4.303 7.487 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.783 3.774 5.385 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.655 4.652 8.045 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.550 4.153 5.934 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.487 4.620 7.262 1.00 0.00 C ATOM 669 OH TYR A 49 -3.306 5.006 7.821 1.00 0.00 O ATOM 0 H TYR A 49 -10.541 3.136 4.712 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.146 5.408 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.848 2.937 6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.108 2.770 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.790 4.360 8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.832 3.401 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.598 4.947 9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.650 4.087 5.340 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.589 4.928 7.157 1.00 0.00 H new ATOM 679 N GLY A 50 -8.988 6.447 3.405 1.00 0.00 N ATOM 680 CA GLY A 50 -8.509 7.111 2.204 1.00 0.00 C ATOM 681 C GLY A 50 -9.088 8.520 2.094 1.00 0.00 C ATOM 682 O GLY A 50 -9.713 8.998 3.039 1.00 0.00 O ATOM 0 H GLY A 50 -9.672 6.988 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.420 7.161 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.788 6.529 1.326 1.00 0.00 H new ATOM 686 N GLY A 51 -8.873 9.183 0.950 1.00 0.00 N ATOM 687 CA GLY A 51 -9.342 10.536 0.679 1.00 0.00 C ATOM 688 C GLY A 51 -8.204 11.454 0.221 1.00 0.00 C ATOM 689 O GLY A 51 -7.057 11.302 0.644 1.00 0.00 O ATOM 0 H GLY A 51 -8.354 8.777 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.115 10.505 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.801 10.948 1.578 1.00 0.00 H new ATOM 693 N GLU A 52 -8.540 12.421 -0.642 1.00 0.00 N ATOM 694 CA GLU A 52 -7.650 13.429 -1.206 1.00 0.00 C ATOM 695 C GLU A 52 -6.364 12.807 -1.762 1.00 0.00 C ATOM 696 O GLU A 52 -6.366 12.267 -2.863 1.00 0.00 O ATOM 697 CB GLU A 52 -7.404 14.547 -0.178 1.00 0.00 C ATOM 698 CG GLU A 52 -8.706 15.274 0.184 1.00 0.00 C ATOM 699 CD GLU A 52 -8.441 16.411 1.165 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.352 16.105 2.374 1.00 0.00 O ATOM 701 OE2 GLU A 52 -8.318 17.559 0.686 1.00 0.00 O ATOM 0 H GLU A 52 -9.497 12.522 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.133 13.890 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.960 14.123 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.687 15.262 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.170 15.669 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.412 14.568 0.622 1.00 0.00 H new ATOM 708 N ARG A 53 -5.266 12.893 -1.009 1.00 0.00 N ATOM 709 CA ARG A 53 -3.981 12.321 -1.361 1.00 0.00 C ATOM 710 C ARG A 53 -4.129 10.814 -1.594 1.00 0.00 C ATOM 711 O ARG A 53 -3.598 10.253 -2.552 1.00 0.00 O ATOM 712 CB ARG A 53 -2.997 12.676 -0.233 1.00 0.00 C ATOM 713 CG ARG A 53 -3.350 12.071 1.139 1.00 0.00 C ATOM 714 CD ARG A 53 -2.659 12.796 2.299 1.00 0.00 C ATOM 715 NE ARG A 53 -1.225 12.475 2.346 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.577 11.750 3.272 1.00 0.00 C ATOM 717 NH1 ARG A 53 -1.204 11.230 4.335 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.728 11.537 3.099 1.00 0.00 N ATOM 0 H ARG A 53 -5.254 13.379 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.592 12.727 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.000 12.339 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.951 13.761 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.430 12.111 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.065 11.019 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.790 13.872 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.129 12.512 3.241 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.655 12.847 1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.205 11.380 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.680 10.684 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.203 11.921 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.251 10.990 3.783 1.00 0.00 H new ATOM 732 N LYS A 54 -4.896 10.156 -0.724 1.00 0.00 N ATOM 733 CA LYS A 54 -5.173 8.738 -0.804 1.00 0.00 C ATOM 734 C LYS A 54 -6.329 8.551 -1.773 1.00 0.00 C ATOM 735 O LYS A 54 -7.469 8.315 -1.363 1.00 0.00 O ATOM 736 CB LYS A 54 -5.515 8.218 0.587 1.00 0.00 C ATOM 737 CG LYS A 54 -4.296 8.291 1.504 1.00 0.00 C ATOM 738 CD LYS A 54 -4.761 8.663 2.922 1.00 0.00 C ATOM 739 CE LYS A 54 -3.625 8.625 3.943 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.331 7.250 4.383 1.00 0.00 N ATOM 0 H LYS A 54 -5.347 10.612 0.069 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.310 8.177 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.330 8.805 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.865 7.188 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.776 7.333 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.589 9.033 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.197 9.662 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.548 7.976 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.729 9.066 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.892 9.234 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.544 7.264 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.173 6.843 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.068 6.671 3.560 1.00 0.00 H new ATOM 754 N ALA A 55 -6.005 8.654 -3.059 1.00 0.00 N ATOM 755 CA ALA A 55 -6.963 8.499 -4.153 1.00 0.00 C ATOM 756 C ALA A 55 -6.451 7.558 -5.242 1.00 0.00 C ATOM 757 O ALA A 55 -6.988 6.463 -5.414 1.00 0.00 O ATOM 758 CB ALA A 55 -7.344 9.871 -4.717 1.00 0.00 C ATOM 0 H ALA A 55 -5.056 8.850 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.861 8.032 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.058 9.744 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.795 10.476 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.451 10.371 -5.092 1.00 0.00 H new ATOM 764 N MET A 56 -5.420 7.979 -5.980 1.00 0.00 N ATOM 765 CA MET A 56 -4.828 7.188 -7.050 1.00 0.00 C ATOM 766 C MET A 56 -4.455 5.814 -6.491 1.00 0.00 C ATOM 767 O MET A 56 -4.892 4.773 -6.981 1.00 0.00 O ATOM 768 CB MET A 56 -3.601 7.914 -7.625 1.00 0.00 C ATOM 769 CG MET A 56 -3.909 9.314 -8.178 1.00 0.00 C ATOM 770 SD MET A 56 -3.737 10.680 -6.996 1.00 0.00 S ATOM 771 CE MET A 56 -4.685 11.958 -7.850 1.00 0.00 C ATOM 0 H MET A 56 -4.973 8.886 -5.847 1.00 0.00 H new ATOM 0 HA MET A 56 -5.541 7.057 -7.864 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.844 8.000 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.171 7.306 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.249 9.504 -9.024 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.929 9.317 -8.563 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.681 12.872 -7.256 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.235 12.156 -8.823 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.712 11.619 -7.987 1.00 0.00 H new ATOM 781 N MET A 57 -3.672 5.853 -5.412 1.00 0.00 N ATOM 782 CA MET A 57 -3.262 4.697 -4.644 1.00 0.00 C ATOM 783 C MET A 57 -4.488 3.871 -4.281 1.00 0.00 C ATOM 784 O MET A 57 -4.509 2.678 -4.555 1.00 0.00 O ATOM 785 CB MET A 57 -2.548 5.178 -3.379 1.00 0.00 C ATOM 786 CG MET A 57 -2.394 4.057 -2.342 1.00 0.00 C ATOM 787 SD MET A 57 -1.375 4.505 -0.927 1.00 0.00 S ATOM 788 CE MET A 57 -2.065 6.115 -0.481 1.00 0.00 C ATOM 0 H MET A 57 -3.297 6.727 -5.043 1.00 0.00 H new ATOM 0 HA MET A 57 -2.583 4.075 -5.227 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.564 5.565 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.107 6.004 -2.939 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.383 3.766 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.959 3.183 -2.828 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.684 6.416 0.495 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.775 6.854 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.152 6.047 -0.441 1.00 0.00 H new ATOM 798 N THR A 58 -5.487 4.498 -3.654 1.00 0.00 N ATOM 799 CA THR A 58 -6.695 3.835 -3.203 1.00 0.00 C ATOM 800 C THR A 58 -7.314 3.006 -4.322 1.00 0.00 C ATOM 801 O THR A 58 -7.529 1.807 -4.152 1.00 0.00 O ATOM 802 CB THR A 58 -7.655 4.885 -2.634 1.00 0.00 C ATOM 803 OG1 THR A 58 -6.900 5.724 -1.788 1.00 0.00 O ATOM 804 CG2 THR A 58 -8.786 4.261 -1.818 1.00 0.00 C ATOM 0 H THR A 58 -5.471 5.496 -3.446 1.00 0.00 H new ATOM 0 HA THR A 58 -6.459 3.128 -2.407 1.00 0.00 H new ATOM 0 HB THR A 58 -8.113 5.427 -3.462 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.422 6.524 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.437 5.048 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.363 3.587 -2.451 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.366 3.702 -0.982 1.00 0.00 H new ATOM 812 N ASN A 59 -7.578 3.619 -5.480 1.00 0.00 N ATOM 813 CA ASN A 59 -8.167 2.857 -6.573 1.00 0.00 C ATOM 814 C ASN A 59 -7.189 1.798 -7.078 1.00 0.00 C ATOM 815 O ASN A 59 -7.619 0.710 -7.445 1.00 0.00 O ATOM 816 CB ASN A 59 -8.646 3.748 -7.720 1.00 0.00 C ATOM 817 CG ASN A 59 -9.739 3.091 -8.578 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.533 3.802 -9.182 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.846 1.761 -8.651 1.00 0.00 N ATOM 0 H ASN A 59 -7.400 4.604 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.051 2.359 -6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.027 4.683 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.797 4.001 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.588 1.339 -9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.186 1.168 -8.149 1.00 0.00 H new ATOM 826 N ALA A 60 -5.887 2.093 -7.120 1.00 0.00 N ATOM 827 CA ALA A 60 -4.917 1.111 -7.581 1.00 0.00 C ATOM 828 C ALA A 60 -4.968 -0.138 -6.693 1.00 0.00 C ATOM 829 O ALA A 60 -5.259 -1.233 -7.171 1.00 0.00 O ATOM 830 CB ALA A 60 -3.520 1.734 -7.650 1.00 0.00 C ATOM 0 H ALA A 60 -5.490 2.991 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.170 0.793 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.805 0.987 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.531 2.575 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.228 2.084 -6.660 1.00 0.00 H new ATOM 836 N VAL A 61 -4.729 0.023 -5.389 1.00 0.00 N ATOM 837 CA VAL A 61 -4.744 -1.092 -4.452 1.00 0.00 C ATOM 838 C VAL A 61 -6.125 -1.749 -4.401 1.00 0.00 C ATOM 839 O VAL A 61 -6.200 -2.960 -4.227 1.00 0.00 O ATOM 840 CB VAL A 61 -4.212 -0.670 -3.072 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.154 0.271 -2.323 1.00 0.00 C ATOM 842 CG2 VAL A 61 -3.953 -1.894 -2.187 1.00 0.00 C ATOM 0 H VAL A 61 -4.522 0.925 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.058 -1.859 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.283 -0.135 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.718 0.529 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.303 1.178 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.113 -0.222 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.577 -1.569 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.882 -2.447 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.215 -2.538 -2.664 1.00 0.00 H new ATOM 852 N LYS A 62 -7.214 -0.994 -4.584 1.00 0.00 N ATOM 853 CA LYS A 62 -8.567 -1.545 -4.607 1.00 0.00 C ATOM 854 C LYS A 62 -8.701 -2.748 -5.549 1.00 0.00 C ATOM 855 O LYS A 62 -9.559 -3.597 -5.319 1.00 0.00 O ATOM 856 CB LYS A 62 -9.569 -0.430 -4.941 1.00 0.00 C ATOM 857 CG LYS A 62 -11.008 -0.915 -5.152 1.00 0.00 C ATOM 858 CD LYS A 62 -12.001 0.248 -5.319 1.00 0.00 C ATOM 859 CE LYS A 62 -12.624 0.748 -4.006 1.00 0.00 C ATOM 860 NZ LYS A 62 -11.636 1.321 -3.075 1.00 0.00 N ATOM 0 H LYS A 62 -7.179 0.016 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.794 -1.933 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.560 0.303 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.236 0.084 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.048 -1.553 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.310 -1.528 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.489 1.080 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.801 -0.067 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.379 1.501 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.137 -0.080 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.108 1.996 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.206 0.559 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.895 1.813 -3.614 1.00 0.00 H new ATOM 874 N LYS A 63 -7.887 -2.839 -6.607 1.00 0.00 N ATOM 875 CA LYS A 63 -7.964 -3.990 -7.499 1.00 0.00 C ATOM 876 C LYS A 63 -7.615 -5.301 -6.762 1.00 0.00 C ATOM 877 O LYS A 63 -8.112 -6.366 -7.122 1.00 0.00 O ATOM 878 CB LYS A 63 -7.043 -3.813 -8.715 1.00 0.00 C ATOM 879 CG LYS A 63 -7.699 -3.031 -9.861 1.00 0.00 C ATOM 880 CD LYS A 63 -8.086 -1.605 -9.455 1.00 0.00 C ATOM 881 CE LYS A 63 -8.409 -0.756 -10.690 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.615 -1.237 -11.386 1.00 0.00 N ATOM 0 H LYS A 63 -7.184 -2.144 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.995 -4.055 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.136 -3.296 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.741 -4.795 -9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.013 -2.990 -10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.589 -3.563 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.950 -1.633 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.270 -1.147 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.553 0.282 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.562 -0.775 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.810 -0.627 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.463 -2.213 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.425 -1.211 -10.735 1.00 0.00 H new ATOM 896 N ALA A 64 -6.724 -5.237 -5.767 1.00 0.00 N ATOM 897 CA ALA A 64 -6.266 -6.372 -4.978 1.00 0.00 C ATOM 898 C ALA A 64 -7.395 -6.911 -4.096 1.00 0.00 C ATOM 899 O ALA A 64 -7.999 -6.156 -3.337 1.00 0.00 O ATOM 900 CB ALA A 64 -5.098 -5.908 -4.097 1.00 0.00 C ATOM 0 H ALA A 64 -6.290 -4.359 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.947 -7.172 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.740 -6.745 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.289 -5.542 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.435 -5.107 -3.438 1.00 0.00 H new ATOM 906 N SER A 65 -7.662 -8.219 -4.177 1.00 0.00 N ATOM 907 CA SER A 65 -8.612 -8.885 -3.287 1.00 0.00 C ATOM 908 C SER A 65 -7.848 -9.342 -2.040 1.00 0.00 C ATOM 909 O SER A 65 -6.661 -9.059 -1.910 1.00 0.00 O ATOM 910 CB SER A 65 -9.348 -10.030 -3.995 1.00 0.00 C ATOM 911 OG SER A 65 -10.352 -10.553 -3.142 1.00 0.00 O ATOM 0 H SER A 65 -7.227 -8.841 -4.858 1.00 0.00 H new ATOM 0 HA SER A 65 -9.398 -8.192 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.796 -9.670 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.643 -10.815 -4.267 1.00 0.00 H new ATOM 0 HG SER A 65 -10.738 -9.828 -2.608 1.00 0.00 H new ATOM 917 N ASP A 66 -8.499 -10.067 -1.129 1.00 0.00 N ATOM 918 CA ASP A 66 -7.892 -10.453 0.145 1.00 0.00 C ATOM 919 C ASP A 66 -6.493 -11.048 -0.012 1.00 0.00 C ATOM 920 O ASP A 66 -5.555 -10.563 0.616 1.00 0.00 O ATOM 921 CB ASP A 66 -8.821 -11.369 0.948 1.00 0.00 C ATOM 922 CG ASP A 66 -8.257 -11.643 2.342 1.00 0.00 C ATOM 923 OD1 ASP A 66 -7.935 -10.653 3.038 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.161 -12.839 2.691 1.00 0.00 O ATOM 0 H ASP A 66 -9.455 -10.401 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.757 -9.534 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.805 -10.908 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.956 -12.311 0.416 1.00 0.00 H new ATOM 929 N GLU A 67 -6.354 -12.079 -0.848 1.00 0.00 N ATOM 930 CA GLU A 67 -5.081 -12.725 -1.160 1.00 0.00 C ATOM 931 C GLU A 67 -3.981 -11.697 -1.378 1.00 0.00 C ATOM 932 O GLU A 67 -2.942 -11.698 -0.723 1.00 0.00 O ATOM 933 CB GLU A 67 -5.254 -13.573 -2.433 1.00 0.00 C ATOM 934 CG GLU A 67 -5.618 -15.018 -2.065 1.00 0.00 C ATOM 935 CD GLU A 67 -6.816 -15.080 -1.117 1.00 0.00 C ATOM 936 OE1 GLU A 67 -7.862 -14.502 -1.489 1.00 0.00 O ATOM 937 OE2 GLU A 67 -6.651 -15.663 -0.023 1.00 0.00 O ATOM 0 H GLU A 67 -7.145 -12.497 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.792 -13.355 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.034 -13.143 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.332 -13.560 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.844 -15.578 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.760 -15.501 -1.598 1.00 0.00 H new ATOM 944 N GLU A 68 -4.239 -10.828 -2.340 1.00 0.00 N ATOM 945 CA GLU A 68 -3.371 -9.787 -2.776 1.00 0.00 C ATOM 946 C GLU A 68 -3.087 -8.770 -1.673 1.00 0.00 C ATOM 947 O GLU A 68 -1.932 -8.417 -1.463 1.00 0.00 O ATOM 948 CB GLU A 68 -4.103 -9.207 -3.966 1.00 0.00 C ATOM 949 CG GLU A 68 -4.122 -10.212 -5.124 1.00 0.00 C ATOM 950 CD GLU A 68 -5.424 -10.963 -5.334 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.237 -10.993 -4.386 1.00 0.00 O ATOM 952 OE2 GLU A 68 -5.561 -11.496 -6.459 1.00 0.00 O ATOM 0 H GLU A 68 -5.117 -10.845 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.374 -10.137 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.124 -8.949 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.618 -8.284 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.880 -9.680 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.328 -10.941 -4.959 1.00 0.00 H new ATOM 959 N LEU A 69 -4.120 -8.296 -0.978 1.00 0.00 N ATOM 960 CA LEU A 69 -3.966 -7.345 0.119 1.00 0.00 C ATOM 961 C LEU A 69 -3.027 -7.939 1.184 1.00 0.00 C ATOM 962 O LEU A 69 -2.078 -7.282 1.618 1.00 0.00 O ATOM 963 CB LEU A 69 -5.343 -6.964 0.696 1.00 0.00 C ATOM 964 CG LEU A 69 -6.279 -6.274 -0.321 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.724 -6.300 0.188 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.913 -4.818 -0.618 1.00 0.00 C ATOM 0 H LEU A 69 -5.088 -8.562 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.513 -6.424 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.830 -7.864 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.198 -6.301 1.549 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.165 -6.840 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.374 -5.811 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.044 -7.333 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.784 -5.774 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.618 -4.406 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.956 -4.237 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.904 -4.773 -1.029 1.00 0.00 H new ATOM 978 N LYS A 70 -3.265 -9.195 1.584 1.00 0.00 N ATOM 979 CA LYS A 70 -2.416 -9.891 2.544 1.00 0.00 C ATOM 980 C LYS A 70 -0.995 -9.999 1.995 1.00 0.00 C ATOM 981 O LYS A 70 -0.028 -9.650 2.671 1.00 0.00 O ATOM 982 CB LYS A 70 -2.962 -11.299 2.835 1.00 0.00 C ATOM 983 CG LYS A 70 -4.287 -11.282 3.606 1.00 0.00 C ATOM 984 CD LYS A 70 -4.826 -12.694 3.889 1.00 0.00 C ATOM 985 CE LYS A 70 -5.024 -13.504 2.601 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.900 -14.670 2.807 1.00 0.00 N ATOM 0 H LYS A 70 -4.051 -9.751 1.249 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.408 -9.320 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.103 -11.829 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.222 -11.858 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.147 -10.755 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.028 -10.722 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.134 -13.221 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.775 -12.620 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.452 -12.861 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.055 -13.840 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.938 -15.234 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.524 -15.254 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.858 -14.346 3.051 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.867 -10.492 0.764 1.00 0.00 N ATOM 1001 CA ALA A 71 0.423 -10.700 0.137 1.00 0.00 C ATOM 1002 C ALA A 71 1.199 -9.400 -0.050 1.00 0.00 C ATOM 1003 O ALA A 71 2.424 -9.423 0.016 1.00 0.00 O ATOM 1004 CB ALA A 71 0.242 -11.450 -1.182 1.00 0.00 C ATOM 0 H ALA A 71 -1.659 -10.756 0.179 1.00 0.00 H new ATOM 0 HA ALA A 71 1.028 -11.311 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.215 -11.604 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.225 -12.416 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.393 -10.866 -1.849 1.00 0.00 H new ATOM 1010 N LEU A 72 0.526 -8.274 -0.293 1.00 0.00 N ATOM 1011 CA LEU A 72 1.171 -6.986 -0.402 1.00 0.00 C ATOM 1012 C LEU A 72 1.816 -6.688 0.944 1.00 0.00 C ATOM 1013 O LEU A 72 3.024 -6.474 1.017 1.00 0.00 O ATOM 1014 CB LEU A 72 0.119 -5.935 -0.775 1.00 0.00 C ATOM 1015 CG LEU A 72 0.059 -5.644 -2.282 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.235 -4.894 -2.617 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.264 -4.805 -2.729 1.00 0.00 C ATOM 0 H LEU A 72 -0.486 -8.241 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 72 1.938 -6.975 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.860 -6.276 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.335 -5.009 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 72 0.082 -6.596 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.271 -4.691 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.093 -5.504 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.263 -3.953 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.197 -4.613 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.267 -3.857 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.185 -5.348 -2.515 1.00 0.00 H new ATOM 1029 N ALA A 73 1.011 -6.713 2.011 1.00 0.00 N ATOM 1030 CA ALA A 73 1.509 -6.482 3.356 1.00 0.00 C ATOM 1031 C ALA A 73 2.704 -7.393 3.646 1.00 0.00 C ATOM 1032 O ALA A 73 3.765 -6.912 4.044 1.00 0.00 O ATOM 1033 CB ALA A 73 0.377 -6.685 4.362 1.00 0.00 C ATOM 0 H ALA A 73 0.008 -6.892 1.961 1.00 0.00 H new ATOM 0 HA ALA A 73 1.860 -5.454 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.751 -6.512 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.430 -5.984 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.000 -7.705 4.285 1.00 0.00 H new ATOM 1039 N ASP A 74 2.541 -8.702 3.423 1.00 0.00 N ATOM 1040 CA ASP A 74 3.600 -9.680 3.622 1.00 0.00 C ATOM 1041 C ASP A 74 4.865 -9.305 2.845 1.00 0.00 C ATOM 1042 O ASP A 74 5.935 -9.220 3.440 1.00 0.00 O ATOM 1043 CB ASP A 74 3.114 -11.074 3.216 1.00 0.00 C ATOM 1044 CG ASP A 74 4.229 -12.107 3.344 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.584 -12.423 4.500 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.712 -12.558 2.283 1.00 0.00 O ATOM 0 H ASP A 74 1.664 -9.108 3.098 1.00 0.00 H new ATOM 0 HA ASP A 74 3.855 -9.688 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.272 -11.365 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.753 -11.051 2.188 1.00 0.00 H new ATOM 1051 N TYR A 75 4.749 -9.089 1.530 1.00 0.00 N ATOM 1052 CA TYR A 75 5.880 -8.759 0.674 1.00 0.00 C ATOM 1053 C TYR A 75 6.622 -7.533 1.206 1.00 0.00 C ATOM 1054 O TYR A 75 7.827 -7.575 1.449 1.00 0.00 O ATOM 1055 CB TYR A 75 5.394 -8.545 -0.767 1.00 0.00 C ATOM 1056 CG TYR A 75 6.512 -8.237 -1.741 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.250 -9.290 -2.313 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.908 -6.905 -1.965 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.375 -9.013 -3.110 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.049 -6.633 -2.738 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.776 -7.683 -3.318 1.00 0.00 C ATOM 1062 OH TYR A 75 9.871 -7.405 -4.079 1.00 0.00 O ATOM 0 H TYR A 75 3.860 -9.140 1.033 1.00 0.00 H new ATOM 0 HA TYR A 75 6.586 -9.589 0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.867 -9.439 -1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.674 -7.727 -0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.952 -10.313 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.335 -6.093 -1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.930 -9.822 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.368 -5.612 -2.886 1.00 0.00 H new ATOM 0 HH TYR A 75 10.004 -6.435 -4.119 1.00 0.00 H new ATOM 1072 N MET A 76 5.906 -6.424 1.386 1.00 0.00 N ATOM 1073 CA MET A 76 6.443 -5.194 1.895 1.00 0.00 C ATOM 1074 C MET A 76 7.079 -5.371 3.275 1.00 0.00 C ATOM 1075 O MET A 76 8.072 -4.719 3.583 1.00 0.00 O ATOM 1076 CB MET A 76 5.278 -4.220 1.864 1.00 0.00 C ATOM 1077 CG MET A 76 4.882 -3.947 0.400 1.00 0.00 C ATOM 1078 SD MET A 76 3.934 -2.449 0.063 1.00 0.00 S ATOM 1079 CE MET A 76 2.782 -2.478 1.441 1.00 0.00 C ATOM 0 H MET A 76 4.910 -6.370 1.171 1.00 0.00 H new ATOM 0 HA MET A 76 7.270 -4.816 1.294 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.430 -4.632 2.412 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.554 -3.288 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.795 -3.909 -0.195 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.304 -4.799 0.043 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.156 -1.586 1.411 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.153 -3.366 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.337 -2.500 2.379 1.00 0.00 H new ATOM 1089 N SER A 77 6.533 -6.267 4.095 1.00 0.00 N ATOM 1090 CA SER A 77 7.090 -6.650 5.375 1.00 0.00 C ATOM 1091 C SER A 77 8.138 -7.762 5.242 1.00 0.00 C ATOM 1092 O SER A 77 8.380 -8.483 6.209 1.00 0.00 O ATOM 1093 CB SER A 77 5.935 -7.117 6.248 1.00 0.00 C ATOM 1094 OG SER A 77 4.963 -6.099 6.337 1.00 0.00 O ATOM 0 H SER A 77 5.666 -6.756 3.874 1.00 0.00 H new ATOM 0 HA SER A 77 7.603 -5.796 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.492 -8.020 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.299 -7.373 7.243 1.00 0.00 H new ATOM 0 HG SER A 77 4.352 -6.162 5.573 1.00 0.00 H new ATOM 1100 N LYS A 78 8.755 -7.915 4.068 1.00 0.00 N ATOM 1101 CA LYS A 78 9.793 -8.897 3.797 1.00 0.00 C ATOM 1102 C LYS A 78 10.731 -8.219 2.797 1.00 0.00 C ATOM 1103 O LYS A 78 11.239 -8.835 1.861 1.00 0.00 O ATOM 1104 CB LYS A 78 9.114 -10.165 3.260 1.00 0.00 C ATOM 1105 CG LYS A 78 10.022 -11.400 3.249 1.00 0.00 C ATOM 1106 CD LYS A 78 9.337 -12.574 2.535 1.00 0.00 C ATOM 1107 CE LYS A 78 8.023 -12.988 3.211 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.440 -14.182 2.577 1.00 0.00 N ATOM 0 H LYS A 78 8.534 -7.337 3.257 1.00 0.00 H new ATOM 0 HA LYS A 78 10.371 -9.209 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.234 -10.379 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.763 -9.975 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.961 -11.162 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.269 -11.685 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.138 -12.299 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.015 -13.427 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.204 -13.188 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.311 -12.164 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.458 -13.982 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.995 -14.434 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.454 -14.974 3.250 1.00 0.00 H new ATOM 1122 N LEU A 79 10.908 -6.915 3.011 1.00 0.00 N ATOM 1123 CA LEU A 79 11.622 -5.968 2.216 1.00 0.00 C ATOM 1124 C LEU A 79 12.500 -5.166 3.175 1.00 0.00 C ATOM 1125 O LEU A 79 12.015 -4.949 4.309 1.00 0.00 O ATOM 1126 CB LEU A 79 10.529 -5.085 1.594 1.00 0.00 C ATOM 1127 CG LEU A 79 10.834 -4.821 0.130 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.722 -3.997 -0.526 1.00 0.00 C ATOM 1129 CD2 LEU A 79 12.179 -4.116 -0.004 1.00 0.00 C ATOM 1130 OXT LEU A 79 13.623 -4.795 2.771 1.00 0.00 O ATOM 0 H LEU A 79 10.505 -6.470 3.836 1.00 0.00 H new ATOM 0 HA LEU A 79 12.254 -6.402 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.560 -5.574 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.463 -4.141 2.135 1.00 0.00 H new ATOM 0 HG LEU A 79 10.886 -5.778 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.968 -3.823 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.779 -4.540 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.627 -3.040 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.389 -3.931 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.148 -3.167 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.963 -4.745 0.417 1.00 0.00 H new