USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 122 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl -170:sc= 0 (180deg=-0.174) USER MOD Set 2.1: A 123 MET CE :methyl -148:sc= -10.4! (180deg=-11.2!) USER MOD Set 2.2: A 125 ASN : amide:sc= -0.496 K(o=-11,f=-12) USER MOD Set 3.1: A 110 ASN : amide:sc= 1.03 K(o=2,f=-5.8!) USER MOD Set 3.2: A 132 SER OG : rot 112:sc= 0.99 USER MOD Single : A 81 HIS : no HE2:sc= -7.34! C(o=-7.3!,f=-5.4!) USER MOD Single : A 85 SER OG : rot -44:sc= -1.49 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 96:sc= 1.06 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 38:sc= 0.339 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.014) USER MOD Single : A 108 LYS NZ :NH3+ -131:sc= -3.13! (180deg=-6.32!) USER MOD Single : A 114 THR OG1 : rot 176:sc= 0.00679 USER MOD Single : A 116 CYS SG : rot 137:sc= -5.76! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -1.02 X(o=-1,f=-1.4!) USER MOD Single : A 131 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.126) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 144 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 12.681 9.855 -3.362 1.00 0.00 N ATOM 47 CA GLY A 80 11.603 8.955 -3.004 1.00 0.00 C ATOM 48 C GLY A 80 10.315 9.277 -3.736 1.00 0.00 C ATOM 49 O GLY A 80 10.320 10.021 -4.716 1.00 0.00 O ATOM 0 HA2 GLY A 80 11.899 7.930 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.430 9.009 -1.929 1.00 0.00 H new ATOM 53 N HIS A 81 9.209 8.715 -3.260 1.00 0.00 N ATOM 54 CA HIS A 81 7.907 8.948 -3.876 1.00 0.00 C ATOM 55 C HIS A 81 6.781 8.486 -2.958 1.00 0.00 C ATOM 56 O HIS A 81 6.937 7.526 -2.203 1.00 0.00 O ATOM 57 CB HIS A 81 7.819 8.220 -5.218 1.00 0.00 C ATOM 58 CG HIS A 81 8.822 7.117 -5.369 1.00 0.00 C ATOM 59 ND1 HIS A 81 9.879 7.175 -6.252 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.923 5.921 -4.740 1.00 0.00 C ATOM 61 CE1 HIS A 81 10.587 6.063 -6.161 1.00 0.00 C ATOM 62 NE2 HIS A 81 10.028 5.286 -5.251 1.00 0.00 N ATOM 0 H HIS A 81 9.188 8.095 -2.450 1.00 0.00 H new ATOM 0 HA HIS A 81 7.797 10.019 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.817 7.807 -5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.960 8.941 -6.023 1.00 0.00 H new ATOM 0 HD1 HIS A 81 10.083 7.954 -6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.259 5.539 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.472 5.829 -6.734 1.00 0.00 H new ATOM 71 N ILE A 82 5.647 9.176 -3.026 1.00 0.00 N ATOM 72 CA ILE A 82 4.494 8.836 -2.201 1.00 0.00 C ATOM 73 C ILE A 82 3.430 8.109 -3.014 1.00 0.00 C ATOM 74 O ILE A 82 2.866 8.666 -3.957 1.00 0.00 O ATOM 75 CB ILE A 82 3.870 10.092 -1.563 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.873 10.770 -0.629 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.599 9.727 -0.811 1.00 0.00 C ATOM 78 CD1 ILE A 82 6.157 11.183 -1.318 1.00 0.00 C ATOM 0 H ILE A 82 5.502 9.974 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 82 4.854 8.177 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 82 3.611 10.794 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.408 11.651 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.111 10.091 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.169 10.624 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.881 9.286 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.835 9.009 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.821 11.657 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.645 10.303 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.930 11.887 -2.119 1.00 0.00 H new ATOM 90 N VAL A 83 3.160 6.861 -2.644 1.00 0.00 N ATOM 91 CA VAL A 83 2.163 6.056 -3.339 1.00 0.00 C ATOM 92 C VAL A 83 0.750 6.463 -2.935 1.00 0.00 C ATOM 93 O VAL A 83 0.212 5.973 -1.943 1.00 0.00 O ATOM 94 CB VAL A 83 2.352 4.555 -3.051 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.404 3.721 -3.899 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.796 4.142 -3.290 1.00 0.00 C ATOM 0 H VAL A 83 3.618 6.386 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 83 2.301 6.235 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 83 2.115 4.375 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.554 2.664 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.374 3.996 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.603 3.904 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.910 3.078 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.064 4.339 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.451 4.713 -2.632 1.00 0.00 H new ATOM 106 N ARG A 84 0.153 7.363 -3.711 1.00 0.00 N ATOM 107 CA ARG A 84 -1.198 7.834 -3.432 1.00 0.00 C ATOM 108 C ARG A 84 -2.237 6.868 -3.991 1.00 0.00 C ATOM 109 O ARG A 84 -2.211 6.528 -5.175 1.00 0.00 O ATOM 110 CB ARG A 84 -1.409 9.229 -4.025 1.00 0.00 C ATOM 111 CG ARG A 84 -2.025 10.217 -3.048 1.00 0.00 C ATOM 112 CD ARG A 84 -1.526 11.631 -3.298 1.00 0.00 C ATOM 113 NE ARG A 84 -1.630 12.008 -4.704 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.974 13.031 -5.243 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.171 13.776 -4.495 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.121 13.310 -6.531 1.00 0.00 N ATOM 0 H ARG A 84 0.583 7.780 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.321 7.886 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.450 9.618 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.052 9.149 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.111 10.192 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.784 9.920 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.101 12.331 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.487 11.711 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.240 11.456 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.056 13.565 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.331 14.560 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.738 12.739 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.617 14.095 -6.943 1.00 0.00 H new ATOM 130 N SER A 85 -3.151 6.430 -3.132 1.00 0.00 N ATOM 131 CA SER A 85 -4.201 5.501 -3.538 1.00 0.00 C ATOM 132 C SER A 85 -4.825 5.928 -4.863 1.00 0.00 C ATOM 133 O SER A 85 -5.530 6.934 -4.934 1.00 0.00 O ATOM 134 CB SER A 85 -5.279 5.417 -2.456 1.00 0.00 C ATOM 135 OG SER A 85 -6.491 6.004 -2.897 1.00 0.00 O ATOM 0 H SER A 85 -3.187 6.703 -2.150 1.00 0.00 H new ATOM 0 HA SER A 85 -3.751 4.517 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.452 4.374 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.934 5.922 -1.554 1.00 0.00 H new ATOM 0 HG SER A 85 -6.298 6.850 -3.353 1.00 0.00 H new ATOM 141 N PRO A 86 -4.572 5.160 -5.934 1.00 0.00 N ATOM 142 CA PRO A 86 -5.111 5.454 -7.264 1.00 0.00 C ATOM 143 C PRO A 86 -6.613 5.712 -7.237 1.00 0.00 C ATOM 144 O PRO A 86 -7.067 6.823 -7.508 1.00 0.00 O ATOM 145 CB PRO A 86 -4.798 4.184 -8.059 1.00 0.00 C ATOM 146 CG PRO A 86 -3.601 3.605 -7.387 1.00 0.00 C ATOM 147 CD PRO A 86 -3.742 3.941 -5.927 1.00 0.00 C ATOM 0 HA PRO A 86 -4.677 6.358 -7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.637 3.489 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.594 4.412 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.553 2.526 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.682 4.024 -7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.220 3.133 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.773 4.118 -5.460 1.00 0.00 H new ATOM 155 N MET A 87 -7.380 4.678 -6.906 1.00 0.00 N ATOM 156 CA MET A 87 -8.833 4.793 -6.840 1.00 0.00 C ATOM 157 C MET A 87 -9.338 4.475 -5.437 1.00 0.00 C ATOM 158 O MET A 87 -8.563 4.103 -4.557 1.00 0.00 O ATOM 159 CB MET A 87 -9.488 3.856 -7.857 1.00 0.00 C ATOM 160 CG MET A 87 -9.075 2.402 -7.699 1.00 0.00 C ATOM 161 SD MET A 87 -10.415 1.254 -8.071 1.00 0.00 S ATOM 162 CE MET A 87 -10.484 1.382 -9.856 1.00 0.00 C ATOM 0 H MET A 87 -7.020 3.751 -6.679 1.00 0.00 H new ATOM 0 HA MET A 87 -9.103 5.821 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.571 3.930 -7.761 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.233 4.190 -8.863 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.231 2.195 -8.357 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.732 2.235 -6.678 1.00 0.00 H new ATOM 0 HE1 MET A 87 -11.268 0.728 -10.238 1.00 0.00 H new ATOM 0 HE2 MET A 87 -10.701 2.412 -10.139 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.525 1.084 -10.279 1.00 0.00 H new ATOM 172 N VAL A 88 -10.643 4.627 -5.234 1.00 0.00 N ATOM 173 CA VAL A 88 -11.248 4.357 -3.935 1.00 0.00 C ATOM 174 C VAL A 88 -11.127 2.884 -3.566 1.00 0.00 C ATOM 175 O VAL A 88 -10.877 2.036 -4.423 1.00 0.00 O ATOM 176 CB VAL A 88 -12.735 4.757 -3.908 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.383 4.313 -2.605 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.889 6.256 -4.106 1.00 0.00 C ATOM 0 H VAL A 88 -11.300 4.935 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.704 4.959 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.243 4.253 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.433 4.604 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.306 3.230 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.874 4.787 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.947 6.519 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.367 6.784 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.464 6.541 -5.068 1.00 0.00 H new ATOM 188 N GLY A 89 -11.307 2.587 -2.284 1.00 0.00 N ATOM 189 CA GLY A 89 -11.215 1.217 -1.820 1.00 0.00 C ATOM 190 C GLY A 89 -10.977 1.130 -0.327 1.00 0.00 C ATOM 191 O GLY A 89 -11.471 1.960 0.437 1.00 0.00 O ATOM 0 H GLY A 89 -11.515 3.272 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.135 0.689 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.404 0.712 -2.345 1.00 0.00 H new ATOM 195 N THR A 90 -10.216 0.126 0.092 1.00 0.00 N ATOM 196 CA THR A 90 -9.912 -0.062 1.504 1.00 0.00 C ATOM 197 C THR A 90 -8.492 -0.587 1.687 1.00 0.00 C ATOM 198 O THR A 90 -8.186 -1.721 1.314 1.00 0.00 O ATOM 199 CB THR A 90 -10.913 -1.027 2.141 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.156 -0.978 1.464 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.176 -0.736 3.602 1.00 0.00 C ATOM 0 H THR A 90 -9.799 -0.570 -0.526 1.00 0.00 H new ATOM 0 HA THR A 90 -9.990 0.906 1.999 1.00 0.00 H new ATOM 0 HB THR A 90 -10.457 -2.013 2.059 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.196 -1.699 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.894 -1.456 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.244 -0.813 4.162 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.579 0.271 3.705 1.00 0.00 H new ATOM 209 N PHE A 91 -7.628 0.241 2.264 1.00 0.00 N ATOM 210 CA PHE A 91 -6.241 -0.143 2.497 1.00 0.00 C ATOM 211 C PHE A 91 -6.121 -0.990 3.757 1.00 0.00 C ATOM 212 O PHE A 91 -7.071 -1.106 4.530 1.00 0.00 O ATOM 213 CB PHE A 91 -5.360 1.102 2.613 1.00 0.00 C ATOM 214 CG PHE A 91 -3.897 0.793 2.762 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.340 0.595 4.019 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.076 0.701 1.643 1.00 0.00 C ATOM 217 CE1 PHE A 91 -1.990 0.310 4.159 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.726 0.418 1.777 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.183 0.222 3.037 1.00 0.00 C ATOM 0 H PHE A 91 -7.864 1.182 2.579 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.903 -0.738 1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.503 1.722 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.688 1.690 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.965 0.664 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.495 0.852 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.569 0.157 5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.098 0.350 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.131 0.001 3.144 1.00 0.00 H new ATOM 229 N TYR A 92 -4.948 -1.584 3.962 1.00 0.00 N ATOM 230 CA TYR A 92 -4.717 -2.422 5.132 1.00 0.00 C ATOM 231 C TYR A 92 -3.228 -2.681 5.335 1.00 0.00 C ATOM 232 O TYR A 92 -2.393 -2.200 4.570 1.00 0.00 O ATOM 233 CB TYR A 92 -5.457 -3.749 4.985 1.00 0.00 C ATOM 234 CG TYR A 92 -6.863 -3.727 5.538 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.112 -3.306 6.843 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.944 -4.127 4.755 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.401 -3.284 7.353 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.236 -4.108 5.256 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.459 -3.685 6.555 1.00 0.00 C ATOM 240 OH TYR A 92 -10.740 -3.665 7.058 1.00 0.00 O ATOM 0 H TYR A 92 -4.147 -1.500 3.336 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.097 -1.892 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.496 -4.018 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.889 -4.529 5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.288 -2.992 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.772 -4.457 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.579 -2.956 8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.064 -4.421 4.637 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.366 -3.975 6.371 1.00 0.00 H new ATOM 250 N ARG A 93 -2.905 -3.447 6.372 1.00 0.00 N ATOM 251 CA ARG A 93 -1.519 -3.774 6.678 1.00 0.00 C ATOM 252 C ARG A 93 -1.292 -5.284 6.640 1.00 0.00 C ATOM 253 O ARG A 93 -0.158 -5.748 6.526 1.00 0.00 O ATOM 254 CB ARG A 93 -1.134 -3.225 8.052 1.00 0.00 C ATOM 255 CG ARG A 93 -1.179 -1.707 8.135 1.00 0.00 C ATOM 256 CD ARG A 93 0.218 -1.111 8.201 1.00 0.00 C ATOM 257 NE ARG A 93 0.856 -1.351 9.491 1.00 0.00 N ATOM 258 CZ ARG A 93 0.643 -0.605 10.569 1.00 0.00 C ATOM 259 NH1 ARG A 93 -0.191 0.425 10.512 1.00 0.00 N ATOM 260 NH2 ARG A 93 1.262 -0.887 11.708 1.00 0.00 N ATOM 0 H ARG A 93 -3.586 -3.853 7.014 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.889 -3.311 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.806 -3.642 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.129 -3.565 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.705 -1.310 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.746 -1.406 9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.832 -1.538 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.163 -0.038 8.018 1.00 0.00 H new ATOM 0 HE ARG A 93 1.502 -2.136 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.670 0.645 9.639 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.353 0.996 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.903 -1.678 11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.096 -0.312 12.534 1.00 0.00 H new ATOM 274 N THR A 94 -2.378 -6.046 6.739 1.00 0.00 N ATOM 275 CA THR A 94 -2.294 -7.502 6.718 1.00 0.00 C ATOM 276 C THR A 94 -3.421 -8.103 5.882 1.00 0.00 C ATOM 277 O THR A 94 -4.599 -7.895 6.169 1.00 0.00 O ATOM 278 CB THR A 94 -2.349 -8.056 8.141 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.528 -7.632 8.801 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.169 -7.638 8.991 1.00 0.00 C ATOM 0 H THR A 94 -3.325 -5.679 6.834 1.00 0.00 H new ATOM 0 HA THR A 94 -1.343 -7.779 6.263 1.00 0.00 H new ATOM 0 HB THR A 94 -2.330 -9.140 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.274 -7.624 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.270 -8.065 9.989 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.246 -7.997 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.139 -6.551 9.063 1.00 0.00 H new ATOM 288 N PRO A 95 -3.067 -8.861 4.833 1.00 0.00 N ATOM 289 CA PRO A 95 -4.047 -9.499 3.951 1.00 0.00 C ATOM 290 C PRO A 95 -4.687 -10.728 4.587 1.00 0.00 C ATOM 291 O PRO A 95 -4.735 -11.798 3.981 1.00 0.00 O ATOM 292 CB PRO A 95 -3.210 -9.899 2.737 1.00 0.00 C ATOM 293 CG PRO A 95 -1.839 -10.119 3.280 1.00 0.00 C ATOM 294 CD PRO A 95 -1.680 -9.156 4.427 1.00 0.00 C ATOM 0 HA PRO A 95 -4.881 -8.838 3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.600 -10.802 2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.215 -9.117 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.714 -11.148 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.084 -9.940 2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.109 -9.598 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.152 -8.253 4.121 1.00 0.00 H new ATOM 349 N LYS A 100 0.940 -12.154 7.645 1.00 0.00 N ATOM 350 CA LYS A 100 2.272 -11.669 7.991 1.00 0.00 C ATOM 351 C LYS A 100 2.500 -10.262 7.446 1.00 0.00 C ATOM 352 O LYS A 100 3.637 -9.851 7.221 1.00 0.00 O ATOM 353 CB LYS A 100 3.339 -12.618 7.444 1.00 0.00 C ATOM 354 CG LYS A 100 4.042 -13.429 8.519 1.00 0.00 C ATOM 355 CD LYS A 100 5.551 -13.388 8.350 1.00 0.00 C ATOM 356 CE LYS A 100 6.060 -14.606 7.595 1.00 0.00 C ATOM 357 NZ LYS A 100 7.278 -15.184 8.227 1.00 0.00 N ATOM 0 HA LYS A 100 2.347 -11.634 9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.875 -13.300 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.081 -12.039 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.774 -13.041 9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.698 -14.463 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.834 -12.482 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.027 -13.341 9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.277 -15.363 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.283 -14.327 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.592 -16.012 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.034 -14.470 8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.059 -15.474 9.201 1.00 0.00 H new ATOM 371 N ALA A 101 1.411 -9.529 7.237 1.00 0.00 N ATOM 372 CA ALA A 101 1.494 -8.169 6.720 1.00 0.00 C ATOM 373 C ALA A 101 2.206 -8.134 5.371 1.00 0.00 C ATOM 374 O ALA A 101 3.296 -8.684 5.218 1.00 0.00 O ATOM 375 CB ALA A 101 2.209 -7.271 7.718 1.00 0.00 C ATOM 0 H ALA A 101 0.461 -9.854 7.418 1.00 0.00 H new ATOM 0 HA ALA A 101 0.479 -7.800 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.265 -6.258 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.659 -7.262 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.217 -7.649 7.891 1.00 0.00 H new ATOM 381 N PHE A 102 1.580 -7.483 4.396 1.00 0.00 N ATOM 382 CA PHE A 102 2.152 -7.373 3.059 1.00 0.00 C ATOM 383 C PHE A 102 3.395 -6.490 3.072 1.00 0.00 C ATOM 384 O PHE A 102 4.513 -6.977 3.242 1.00 0.00 O ATOM 385 CB PHE A 102 1.120 -6.803 2.085 1.00 0.00 C ATOM 386 CG PHE A 102 0.437 -7.848 1.249 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.178 -8.832 0.604 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.946 -7.848 1.106 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.552 -9.797 -0.169 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.577 -8.810 0.335 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.828 -9.786 -0.303 1.00 0.00 C ATOM 0 H PHE A 102 0.676 -7.023 4.507 1.00 0.00 H new ATOM 0 HA PHE A 102 2.439 -8.372 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.367 -6.252 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.612 -6.087 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.253 -8.844 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.534 -7.090 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.138 -10.556 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.652 -8.800 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.319 -10.537 -0.904 1.00 0.00 H new ATOM 401 N ILE A 103 3.190 -5.190 2.891 1.00 0.00 N ATOM 402 CA ILE A 103 4.292 -4.237 2.882 1.00 0.00 C ATOM 403 C ILE A 103 4.169 -3.249 4.038 1.00 0.00 C ATOM 404 O ILE A 103 3.672 -2.136 3.866 1.00 0.00 O ATOM 405 CB ILE A 103 4.348 -3.457 1.554 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.780 -4.381 0.414 1.00 0.00 C ATOM 407 CG2 ILE A 103 5.296 -2.272 1.670 1.00 0.00 C ATOM 408 CD1 ILE A 103 6.062 -5.132 0.699 1.00 0.00 C ATOM 0 H ILE A 103 2.270 -4.773 2.749 1.00 0.00 H new ATOM 0 HA ILE A 103 5.212 -4.811 2.994 1.00 0.00 H new ATOM 0 HB ILE A 103 3.351 -3.077 1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.984 -5.099 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.908 -3.790 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.323 -1.733 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.948 -1.604 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.297 -2.629 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.308 -5.768 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.871 -4.421 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.932 -5.750 1.588 1.00 0.00 H new ATOM 420 N GLU A 104 4.624 -3.665 5.214 1.00 0.00 N ATOM 421 CA GLU A 104 4.567 -2.819 6.400 1.00 0.00 C ATOM 422 C GLU A 104 5.610 -1.709 6.328 1.00 0.00 C ATOM 423 O GLU A 104 6.578 -1.801 5.573 1.00 0.00 O ATOM 424 CB GLU A 104 4.779 -3.655 7.659 1.00 0.00 C ATOM 425 CG GLU A 104 3.556 -4.457 8.071 1.00 0.00 C ATOM 426 CD GLU A 104 2.959 -3.978 9.380 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.734 -3.578 10.274 1.00 0.00 O ATOM 428 OE2 GLU A 104 1.717 -4.002 9.511 1.00 0.00 O ATOM 0 H GLU A 104 5.037 -4.584 5.372 1.00 0.00 H new ATOM 0 HA GLU A 104 3.579 -2.360 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.612 -4.338 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.064 -2.996 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.802 -4.392 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.829 -5.508 8.164 1.00 0.00 H new ATOM 435 N VAL A 105 5.408 -0.661 7.120 1.00 0.00 N ATOM 436 CA VAL A 105 6.332 0.466 7.146 1.00 0.00 C ATOM 437 C VAL A 105 7.744 0.012 7.499 1.00 0.00 C ATOM 438 O VAL A 105 7.930 -0.980 8.204 1.00 0.00 O ATOM 439 CB VAL A 105 5.884 1.537 8.158 1.00 0.00 C ATOM 440 CG1 VAL A 105 6.935 2.630 8.282 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.540 2.124 7.754 1.00 0.00 C ATOM 0 H VAL A 105 4.613 -0.569 7.752 1.00 0.00 H new ATOM 0 HA VAL A 105 6.330 0.898 6.145 1.00 0.00 H new ATOM 0 HB VAL A 105 5.770 1.063 9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.600 3.377 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.875 2.194 8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.085 3.103 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.239 2.879 8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.625 2.582 6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.792 1.332 7.723 1.00 0.00 H new ATOM 451 N GLY A 106 8.736 0.745 7.006 1.00 0.00 N ATOM 452 CA GLY A 106 10.119 0.402 7.281 1.00 0.00 C ATOM 453 C GLY A 106 10.507 -0.950 6.716 1.00 0.00 C ATOM 454 O GLY A 106 11.544 -1.506 7.076 1.00 0.00 O ATOM 0 H GLY A 106 8.607 1.571 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.770 1.168 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.282 0.402 8.359 1.00 0.00 H new ATOM 458 N GLN A 107 9.671 -1.480 5.829 1.00 0.00 N ATOM 459 CA GLN A 107 9.933 -2.776 5.213 1.00 0.00 C ATOM 460 C GLN A 107 10.238 -2.611 3.720 1.00 0.00 C ATOM 461 O GLN A 107 11.150 -1.867 3.354 1.00 0.00 O ATOM 462 CB GLN A 107 8.737 -3.709 5.431 1.00 0.00 C ATOM 463 CG GLN A 107 9.035 -5.169 5.124 1.00 0.00 C ATOM 464 CD GLN A 107 7.784 -5.958 4.785 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.045 -6.381 5.673 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.543 -6.158 3.495 1.00 0.00 N ATOM 0 H GLN A 107 8.808 -1.033 5.521 1.00 0.00 H new ATOM 0 HA GLN A 107 10.809 -3.222 5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.406 -3.625 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.910 -3.377 4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.734 -5.226 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.526 -5.625 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.184 -5.788 2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.717 -6.681 3.206 1.00 0.00 H new ATOM 475 N LYS A 108 9.484 -3.298 2.859 1.00 0.00 N ATOM 476 CA LYS A 108 9.697 -3.206 1.419 1.00 0.00 C ATOM 477 C LYS A 108 10.782 -4.177 0.963 1.00 0.00 C ATOM 478 O LYS A 108 11.111 -5.131 1.666 1.00 0.00 O ATOM 479 CB LYS A 108 10.081 -1.780 1.026 1.00 0.00 C ATOM 480 CG LYS A 108 9.371 -1.277 -0.221 1.00 0.00 C ATOM 481 CD LYS A 108 7.868 -1.469 -0.120 1.00 0.00 C ATOM 482 CE LYS A 108 7.115 -0.278 -0.691 1.00 0.00 C ATOM 483 NZ LYS A 108 5.716 -0.631 -1.058 1.00 0.00 N ATOM 0 H LYS A 108 8.725 -3.920 3.135 1.00 0.00 H new ATOM 0 HA LYS A 108 8.763 -3.473 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.856 -1.111 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.158 -1.735 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.595 -0.220 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.749 -1.807 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.579 -2.374 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.588 -1.612 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.106 0.530 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.639 0.095 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.514 -0.293 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.597 -1.664 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.058 -0.183 -0.389 1.00 0.00 H new ATOM 497 N VAL A 109 11.334 -3.924 -0.219 1.00 0.00 N ATOM 498 CA VAL A 109 12.381 -4.774 -0.772 1.00 0.00 C ATOM 499 C VAL A 109 12.838 -4.265 -2.135 1.00 0.00 C ATOM 500 O VAL A 109 13.770 -3.467 -2.231 1.00 0.00 O ATOM 501 CB VAL A 109 11.907 -6.234 -0.914 1.00 0.00 C ATOM 502 CG1 VAL A 109 12.450 -7.084 0.224 1.00 0.00 C ATOM 503 CG2 VAL A 109 10.388 -6.301 -0.964 1.00 0.00 C ATOM 0 H VAL A 109 11.073 -3.136 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 109 13.217 -4.739 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 109 12.295 -6.633 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.105 -8.111 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 109 13.540 -7.063 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.095 -6.688 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.073 -7.340 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.975 -5.884 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.026 -5.728 -1.818 1.00 0.00 H new ATOM 513 N ASN A 110 12.172 -4.732 -3.186 1.00 0.00 N ATOM 514 CA ASN A 110 12.505 -4.326 -4.547 1.00 0.00 C ATOM 515 C ASN A 110 11.309 -4.506 -5.475 1.00 0.00 C ATOM 516 O ASN A 110 10.269 -5.026 -5.069 1.00 0.00 O ATOM 517 CB ASN A 110 13.694 -5.133 -5.066 1.00 0.00 C ATOM 518 CG ASN A 110 14.866 -4.251 -5.452 1.00 0.00 C ATOM 519 OD1 ASN A 110 14.761 -3.421 -6.356 1.00 0.00 O ATOM 520 ND2 ASN A 110 15.990 -4.427 -4.769 1.00 0.00 N ATOM 0 H ASN A 110 11.398 -5.393 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 110 12.773 -3.270 -4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.012 -5.840 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.383 -5.718 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 110 16.812 -3.863 -4.985 1.00 0.00 H new ATOM 0 HD22 ASN A 110 16.032 -5.126 -4.028 1.00 0.00 H new ATOM 527 N VAL A 111 11.462 -4.072 -6.721 1.00 0.00 N ATOM 528 CA VAL A 111 10.394 -4.186 -7.705 1.00 0.00 C ATOM 529 C VAL A 111 10.099 -5.647 -8.031 1.00 0.00 C ATOM 530 O VAL A 111 10.831 -6.286 -8.787 1.00 0.00 O ATOM 531 CB VAL A 111 10.748 -3.444 -9.007 1.00 0.00 C ATOM 532 CG1 VAL A 111 9.732 -3.756 -10.095 1.00 0.00 C ATOM 533 CG2 VAL A 111 10.833 -1.945 -8.759 1.00 0.00 C ATOM 0 H VAL A 111 12.315 -3.638 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 111 9.508 -3.729 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 111 11.724 -3.790 -9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.000 -3.222 -11.007 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.726 -4.828 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.741 -3.441 -9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.084 -1.436 -9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.872 -1.582 -8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.604 -1.742 -8.015 1.00 0.00 H new ATOM 543 N GLY A 112 9.021 -6.169 -7.454 1.00 0.00 N ATOM 544 CA GLY A 112 8.647 -7.550 -7.693 1.00 0.00 C ATOM 545 C GLY A 112 7.823 -8.132 -6.562 1.00 0.00 C ATOM 546 O GLY A 112 7.038 -9.058 -6.768 1.00 0.00 O ATOM 0 H GLY A 112 8.400 -5.660 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.080 -7.614 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.548 -8.149 -7.828 1.00 0.00 H new ATOM 550 N ASP A 113 8.004 -7.589 -5.362 1.00 0.00 N ATOM 551 CA ASP A 113 7.271 -8.061 -4.192 1.00 0.00 C ATOM 552 C ASP A 113 5.857 -7.489 -4.168 1.00 0.00 C ATOM 553 O ASP A 113 5.510 -6.630 -4.979 1.00 0.00 O ATOM 554 CB ASP A 113 8.013 -7.675 -2.913 1.00 0.00 C ATOM 555 CG ASP A 113 8.570 -8.882 -2.183 1.00 0.00 C ATOM 556 OD1 ASP A 113 9.290 -9.679 -2.818 1.00 0.00 O ATOM 557 OD2 ASP A 113 8.287 -9.028 -0.975 1.00 0.00 O ATOM 0 H ASP A 113 8.651 -6.823 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 113 7.201 -9.147 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.828 -6.995 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.336 -7.134 -2.252 1.00 0.00 H new ATOM 562 N THR A 114 5.045 -7.970 -3.233 1.00 0.00 N ATOM 563 CA THR A 114 3.668 -7.508 -3.104 1.00 0.00 C ATOM 564 C THR A 114 3.611 -6.149 -2.413 1.00 0.00 C ATOM 565 O THR A 114 4.624 -5.646 -1.924 1.00 0.00 O ATOM 566 CB THR A 114 2.836 -8.526 -2.323 1.00 0.00 C ATOM 567 OG1 THR A 114 3.367 -9.830 -2.476 1.00 0.00 O ATOM 568 CG2 THR A 114 1.386 -8.567 -2.750 1.00 0.00 C ATOM 0 H THR A 114 5.317 -8.680 -2.553 1.00 0.00 H new ATOM 0 HA THR A 114 3.252 -7.403 -4.106 1.00 0.00 H new ATOM 0 HB THR A 114 2.882 -8.201 -1.284 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.859 -10.457 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.853 -9.310 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.934 -7.587 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.325 -8.834 -3.805 1.00 0.00 H new ATOM 576 N LEU A 115 2.420 -5.560 -2.376 1.00 0.00 N ATOM 577 CA LEU A 115 2.229 -4.258 -1.746 1.00 0.00 C ATOM 578 C LEU A 115 1.149 -4.327 -0.670 1.00 0.00 C ATOM 579 O LEU A 115 1.427 -4.135 0.515 1.00 0.00 O ATOM 580 CB LEU A 115 1.851 -3.209 -2.794 1.00 0.00 C ATOM 581 CG LEU A 115 2.075 -1.758 -2.366 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.273 -1.167 -3.091 1.00 0.00 C ATOM 583 CD2 LEU A 115 0.827 -0.928 -2.628 1.00 0.00 C ATOM 0 H LEU A 115 1.572 -5.964 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 115 3.169 -3.970 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.427 -3.398 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.800 -3.338 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 115 2.281 -1.741 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.417 -0.134 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.165 -1.747 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.098 -1.195 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.003 0.102 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.591 -0.951 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.009 -1.339 -2.062 1.00 0.00 H new ATOM 595 N CYS A 116 -0.082 -4.602 -1.088 1.00 0.00 N ATOM 596 CA CYS A 116 -1.201 -4.695 -0.156 1.00 0.00 C ATOM 597 C CYS A 116 -2.531 -4.748 -0.901 1.00 0.00 C ATOM 598 O CYS A 116 -2.633 -4.304 -2.045 1.00 0.00 O ATOM 599 CB CYS A 116 -1.192 -3.504 0.805 1.00 0.00 C ATOM 600 SG CYS A 116 -0.564 -1.974 0.075 1.00 0.00 S ATOM 0 H CYS A 116 -0.330 -4.764 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.088 -5.617 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.207 -3.333 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.584 -3.756 1.674 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.316 -0.978 0.440 1.00 0.00 H new ATOM 606 N ILE A 117 -3.550 -5.294 -0.242 1.00 0.00 N ATOM 607 CA ILE A 117 -4.876 -5.406 -0.838 1.00 0.00 C ATOM 608 C ILE A 117 -5.677 -4.123 -0.644 1.00 0.00 C ATOM 609 O ILE A 117 -5.582 -3.471 0.396 1.00 0.00 O ATOM 610 CB ILE A 117 -5.662 -6.592 -0.237 1.00 0.00 C ATOM 611 CG1 ILE A 117 -5.078 -7.919 -0.723 1.00 0.00 C ATOM 612 CG2 ILE A 117 -7.136 -6.498 -0.603 1.00 0.00 C ATOM 613 CD1 ILE A 117 -5.064 -8.997 0.339 1.00 0.00 C ATOM 0 H ILE A 117 -3.481 -5.666 0.705 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.732 -5.579 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.573 -6.548 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.656 -8.270 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.059 -7.752 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.673 -7.342 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.549 -5.567 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.244 -6.517 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.637 -9.910 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.462 -8.666 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.083 -9.192 0.673 1.00 0.00 H new ATOM 625 N VAL A 118 -6.468 -3.770 -1.651 1.00 0.00 N ATOM 626 CA VAL A 118 -7.290 -2.568 -1.593 1.00 0.00 C ATOM 627 C VAL A 118 -8.718 -2.906 -1.184 1.00 0.00 C ATOM 628 O VAL A 118 -9.460 -2.045 -0.712 1.00 0.00 O ATOM 629 CB VAL A 118 -7.315 -1.837 -2.949 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.850 -0.423 -2.783 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.929 -1.822 -3.573 1.00 0.00 C ATOM 0 H VAL A 118 -6.557 -4.300 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.843 -1.912 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.983 -2.376 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.860 0.078 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.863 -0.462 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.210 0.130 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.966 -1.302 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.236 -1.308 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.589 -2.846 -3.730 1.00 0.00 H new ATOM 641 N GLU A 119 -9.095 -4.168 -1.367 1.00 0.00 N ATOM 642 CA GLU A 119 -10.434 -4.625 -1.016 1.00 0.00 C ATOM 643 C GLU A 119 -11.471 -3.543 -1.295 1.00 0.00 C ATOM 644 O GLU A 119 -12.155 -3.074 -0.385 1.00 0.00 O ATOM 645 CB GLU A 119 -10.487 -5.031 0.458 1.00 0.00 C ATOM 646 CG GLU A 119 -11.882 -5.387 0.942 1.00 0.00 C ATOM 647 CD GLU A 119 -12.334 -4.526 2.106 1.00 0.00 C ATOM 648 OE1 GLU A 119 -11.466 -3.915 2.764 1.00 0.00 O ATOM 649 OE2 GLU A 119 -13.555 -4.464 2.359 1.00 0.00 O ATOM 0 H GLU A 119 -8.491 -4.892 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.667 -5.492 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.828 -5.885 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.099 -4.213 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.587 -5.277 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.902 -6.435 1.241 1.00 0.00 H new ATOM 656 N ALA A 120 -11.583 -3.150 -2.560 1.00 0.00 N ATOM 657 CA ALA A 120 -12.539 -2.123 -2.959 1.00 0.00 C ATOM 658 C ALA A 120 -13.887 -2.738 -3.318 1.00 0.00 C ATOM 659 O ALA A 120 -14.872 -2.027 -3.517 1.00 0.00 O ATOM 660 CB ALA A 120 -11.994 -1.321 -4.132 1.00 0.00 C ATOM 0 H ALA A 120 -11.024 -3.527 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.688 -1.453 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.718 -0.558 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.058 -0.843 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.815 -1.987 -4.976 1.00 0.00 H new ATOM 666 N MET A 121 -13.925 -4.065 -3.397 1.00 0.00 N ATOM 667 CA MET A 121 -15.152 -4.777 -3.731 1.00 0.00 C ATOM 668 C MET A 121 -14.967 -6.282 -3.569 1.00 0.00 C ATOM 669 O MET A 121 -15.521 -7.071 -4.333 1.00 0.00 O ATOM 670 CB MET A 121 -15.581 -4.456 -5.164 1.00 0.00 C ATOM 671 CG MET A 121 -14.561 -4.872 -6.213 1.00 0.00 C ATOM 672 SD MET A 121 -14.259 -3.581 -7.436 1.00 0.00 S ATOM 673 CE MET A 121 -14.912 -4.356 -8.914 1.00 0.00 C ATOM 0 H MET A 121 -13.119 -4.668 -3.234 1.00 0.00 H new ATOM 0 HA MET A 121 -15.932 -4.447 -3.044 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.527 -4.955 -5.371 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.761 -3.384 -5.249 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.623 -5.128 -5.721 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.911 -5.772 -6.719 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.797 -3.679 -9.761 1.00 0.00 H new ATOM 0 HE2 MET A 121 -14.368 -5.279 -9.111 1.00 0.00 H new ATOM 0 HE3 MET A 121 -15.969 -4.581 -8.770 1.00 0.00 H new ATOM 683 N LYS A 122 -14.182 -6.670 -2.569 1.00 0.00 N ATOM 684 CA LYS A 122 -13.922 -8.081 -2.305 1.00 0.00 C ATOM 685 C LYS A 122 -13.093 -8.698 -3.426 1.00 0.00 C ATOM 686 O LYS A 122 -13.002 -9.920 -3.545 1.00 0.00 O ATOM 687 CB LYS A 122 -15.239 -8.844 -2.149 1.00 0.00 C ATOM 688 CG LYS A 122 -15.068 -10.238 -1.570 1.00 0.00 C ATOM 689 CD LYS A 122 -14.055 -10.250 -0.437 1.00 0.00 C ATOM 690 CE LYS A 122 -14.418 -9.247 0.647 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.391 -9.162 1.681 1.00 0.00 N ATOM 0 H LYS A 122 -13.715 -6.028 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.357 -8.154 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.907 -8.272 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.723 -8.921 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.028 -10.602 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.746 -10.922 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.002 -11.250 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.065 -10.019 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.562 -8.264 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.367 -9.532 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.787 -8.704 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.065 -10.119 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.589 -8.602 1.328 1.00 0.00 H new ATOM 702 N MET A 123 -12.487 -7.845 -4.246 1.00 0.00 N ATOM 703 CA MET A 123 -11.664 -8.305 -5.357 1.00 0.00 C ATOM 704 C MET A 123 -10.225 -8.545 -4.911 1.00 0.00 C ATOM 705 O MET A 123 -9.413 -9.082 -5.665 1.00 0.00 O ATOM 706 CB MET A 123 -11.695 -7.285 -6.497 1.00 0.00 C ATOM 707 CG MET A 123 -10.695 -6.152 -6.328 1.00 0.00 C ATOM 708 SD MET A 123 -11.281 -4.600 -7.036 1.00 0.00 S ATOM 709 CE MET A 123 -10.220 -3.423 -6.203 1.00 0.00 C ATOM 0 H MET A 123 -12.551 -6.831 -4.161 1.00 0.00 H new ATOM 0 HA MET A 123 -12.074 -9.250 -5.712 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.495 -7.798 -7.438 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.698 -6.865 -6.570 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.489 -6.009 -5.267 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.753 -6.430 -6.800 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.758 -2.486 -6.059 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.923 -3.823 -5.234 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.332 -3.242 -6.808 1.00 0.00 H new ATOM 719 N MET A 124 -9.915 -8.148 -3.681 1.00 0.00 N ATOM 720 CA MET A 124 -8.574 -8.323 -3.136 1.00 0.00 C ATOM 721 C MET A 124 -7.526 -7.722 -4.067 1.00 0.00 C ATOM 722 O MET A 124 -6.447 -8.286 -4.249 1.00 0.00 O ATOM 723 CB MET A 124 -8.282 -9.807 -2.909 1.00 0.00 C ATOM 724 CG MET A 124 -9.326 -10.509 -2.055 1.00 0.00 C ATOM 725 SD MET A 124 -8.910 -10.500 -0.301 1.00 0.00 S ATOM 726 CE MET A 124 -10.477 -10.013 0.417 1.00 0.00 C ATOM 0 H MET A 124 -10.575 -7.703 -3.043 1.00 0.00 H new ATOM 0 HA MET A 124 -8.526 -7.801 -2.180 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.218 -10.308 -3.875 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.307 -9.908 -2.432 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.292 -10.024 -2.198 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.433 -11.540 -2.394 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.339 -9.790 1.475 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.852 -9.126 -0.094 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.195 -10.825 0.308 1.00 0.00 H new ATOM 736 N ASN A 125 -7.850 -6.574 -4.653 1.00 0.00 N ATOM 737 CA ASN A 125 -6.936 -5.895 -5.563 1.00 0.00 C ATOM 738 C ASN A 125 -5.617 -5.580 -4.866 1.00 0.00 C ATOM 739 O ASN A 125 -5.377 -4.446 -4.450 1.00 0.00 O ATOM 740 CB ASN A 125 -7.570 -4.608 -6.091 1.00 0.00 C ATOM 741 CG ASN A 125 -6.617 -3.802 -6.952 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.667 -4.341 -7.520 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.867 -2.501 -7.053 1.00 0.00 N ATOM 0 H ASN A 125 -8.739 -6.095 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.734 -6.560 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.458 -4.856 -6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.900 -3.998 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.260 -1.907 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.666 -2.096 -6.565 1.00 0.00 H new ATOM 750 N GLN A 126 -4.769 -6.595 -4.734 1.00 0.00 N ATOM 751 CA GLN A 126 -3.476 -6.432 -4.082 1.00 0.00 C ATOM 752 C GLN A 126 -2.409 -5.994 -5.077 1.00 0.00 C ATOM 753 O GLN A 126 -2.194 -6.642 -6.100 1.00 0.00 O ATOM 754 CB GLN A 126 -3.056 -7.740 -3.410 1.00 0.00 C ATOM 755 CG GLN A 126 -2.495 -8.767 -4.379 1.00 0.00 C ATOM 756 CD GLN A 126 -2.551 -10.180 -3.833 1.00 0.00 C ATOM 757 OE1 GLN A 126 -1.770 -10.551 -2.958 1.00 0.00 O ATOM 758 NE2 GLN A 126 -3.481 -10.976 -4.348 1.00 0.00 N ATOM 0 H GLN A 126 -4.955 -7.540 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.576 -5.654 -3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.307 -7.524 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.917 -8.169 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.053 -8.721 -5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.461 -8.513 -4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -4.108 -10.626 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.569 -11.938 -4.019 1.00 0.00 H new ATOM 767 N ILE A 127 -1.738 -4.889 -4.766 1.00 0.00 N ATOM 768 CA ILE A 127 -0.688 -4.364 -5.629 1.00 0.00 C ATOM 769 C ILE A 127 0.666 -4.961 -5.263 1.00 0.00 C ATOM 770 O ILE A 127 0.821 -5.563 -4.200 1.00 0.00 O ATOM 771 CB ILE A 127 -0.600 -2.829 -5.537 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.999 -2.211 -5.563 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.251 -2.279 -6.672 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.821 -2.626 -6.764 1.00 0.00 C ATOM 0 H ILE A 127 -1.904 -4.340 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.945 -4.644 -6.650 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.126 -2.564 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.530 -2.495 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.908 -1.125 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.304 -1.193 -6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.256 -2.697 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.196 -2.552 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.801 -2.150 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.312 -2.318 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.943 -3.709 -6.764 1.00 0.00 H new ATOM 786 N GLU A 128 1.643 -4.790 -6.148 1.00 0.00 N ATOM 787 CA GLU A 128 2.984 -5.313 -5.915 1.00 0.00 C ATOM 788 C GLU A 128 4.030 -4.214 -6.069 1.00 0.00 C ATOM 789 O GLU A 128 4.120 -3.571 -7.116 1.00 0.00 O ATOM 790 CB GLU A 128 3.283 -6.459 -6.883 1.00 0.00 C ATOM 791 CG GLU A 128 2.093 -7.369 -7.135 1.00 0.00 C ATOM 792 CD GLU A 128 1.539 -7.229 -8.540 1.00 0.00 C ATOM 793 OE1 GLU A 128 1.560 -6.101 -9.075 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.087 -8.247 -9.104 1.00 0.00 O ATOM 0 H GLU A 128 1.531 -4.294 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 128 3.028 -5.690 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.619 -6.043 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.106 -7.053 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.390 -8.404 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.307 -7.142 -6.414 1.00 0.00 H new ATOM 801 N ALA A 129 4.821 -4.004 -5.022 1.00 0.00 N ATOM 802 CA ALA A 129 5.861 -2.983 -5.041 1.00 0.00 C ATOM 803 C ALA A 129 6.598 -2.974 -6.377 1.00 0.00 C ATOM 804 O ALA A 129 7.070 -4.011 -6.844 1.00 0.00 O ATOM 805 CB ALA A 129 6.840 -3.206 -3.899 1.00 0.00 C ATOM 0 H ALA A 129 4.761 -4.528 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 129 5.384 -2.012 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.611 -2.436 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.308 -3.155 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.303 -4.187 -4.003 1.00 0.00 H new ATOM 811 N ASP A 130 6.693 -1.797 -6.986 1.00 0.00 N ATOM 812 CA ASP A 130 7.374 -1.652 -8.267 1.00 0.00 C ATOM 813 C ASP A 130 8.210 -0.377 -8.295 1.00 0.00 C ATOM 814 O ASP A 130 8.531 0.144 -9.364 1.00 0.00 O ATOM 815 CB ASP A 130 6.357 -1.632 -9.409 1.00 0.00 C ATOM 816 CG ASP A 130 5.111 -0.841 -9.061 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.136 -0.109 -8.049 1.00 0.00 O ATOM 818 OD2 ASP A 130 4.110 -0.953 -9.800 1.00 0.00 O ATOM 0 H ASP A 130 6.307 -0.930 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 130 8.039 -2.506 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.821 -1.202 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 130 6.076 -2.655 -9.660 1.00 0.00 H new ATOM 823 N LYS A 131 8.561 0.120 -7.113 1.00 0.00 N ATOM 824 CA LYS A 131 9.361 1.334 -7.001 1.00 0.00 C ATOM 825 C LYS A 131 10.782 1.009 -6.554 1.00 0.00 C ATOM 826 O LYS A 131 11.706 1.794 -6.767 1.00 0.00 O ATOM 827 CB LYS A 131 8.714 2.307 -6.013 1.00 0.00 C ATOM 828 CG LYS A 131 7.311 2.736 -6.412 1.00 0.00 C ATOM 829 CD LYS A 131 7.242 4.230 -6.684 1.00 0.00 C ATOM 830 CE LYS A 131 6.181 4.559 -7.721 1.00 0.00 C ATOM 831 NZ LYS A 131 4.880 3.904 -7.412 1.00 0.00 N ATOM 0 H LYS A 131 8.304 -0.299 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 131 9.406 1.802 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.676 1.841 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.344 3.192 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.001 2.188 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.610 2.477 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.023 4.760 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.213 4.583 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.042 5.639 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.524 4.239 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.130 4.331 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.944 2.888 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.656 4.035 -6.405 1.00 0.00 H new ATOM 845 N SER A 132 10.950 -0.153 -5.931 1.00 0.00 N ATOM 846 CA SER A 132 12.259 -0.582 -5.453 1.00 0.00 C ATOM 847 C SER A 132 12.756 0.330 -4.336 1.00 0.00 C ATOM 848 O SER A 132 12.807 1.550 -4.493 1.00 0.00 O ATOM 849 CB SER A 132 13.267 -0.594 -6.603 1.00 0.00 C ATOM 850 OG SER A 132 14.553 -0.983 -6.151 1.00 0.00 O ATOM 0 H SER A 132 10.196 -0.814 -5.745 1.00 0.00 H new ATOM 0 HA SER A 132 12.159 -1.592 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 132 12.929 -1.279 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.321 0.397 -7.054 1.00 0.00 H new ATOM 0 HG SER A 132 14.778 -1.862 -6.522 1.00 0.00 H new ATOM 856 N GLY A 133 13.119 -0.270 -3.208 1.00 0.00 N ATOM 857 CA GLY A 133 13.607 0.503 -2.081 1.00 0.00 C ATOM 858 C GLY A 133 12.924 0.126 -0.780 1.00 0.00 C ATOM 859 O GLY A 133 12.400 -0.980 -0.644 1.00 0.00 O ATOM 0 H GLY A 133 13.084 -1.278 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.682 0.354 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.450 1.564 -2.276 1.00 0.00 H new ATOM 863 N THR A 134 12.934 1.048 0.180 1.00 0.00 N ATOM 864 CA THR A 134 12.315 0.808 1.478 1.00 0.00 C ATOM 865 C THR A 134 11.142 1.756 1.709 1.00 0.00 C ATOM 866 O THR A 134 11.062 2.822 1.097 1.00 0.00 O ATOM 867 CB THR A 134 13.344 0.974 2.596 1.00 0.00 C ATOM 868 OG1 THR A 134 14.431 0.086 2.412 1.00 0.00 O ATOM 869 CG2 THR A 134 12.773 0.723 3.975 1.00 0.00 C ATOM 0 H THR A 134 13.364 1.968 0.082 1.00 0.00 H new ATOM 0 HA THR A 134 11.939 -0.215 1.487 1.00 0.00 H new ATOM 0 HB THR A 134 13.670 2.013 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.080 0.208 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.555 0.857 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.963 1.427 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.389 -0.296 4.030 1.00 0.00 H new ATOM 877 N VAL A 135 10.235 1.361 2.597 1.00 0.00 N ATOM 878 CA VAL A 135 9.067 2.176 2.911 1.00 0.00 C ATOM 879 C VAL A 135 9.392 3.213 3.979 1.00 0.00 C ATOM 880 O VAL A 135 10.013 2.898 4.995 1.00 0.00 O ATOM 881 CB VAL A 135 7.889 1.309 3.398 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.687 2.179 3.729 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.528 0.264 2.353 1.00 0.00 C ATOM 0 H VAL A 135 10.287 0.482 3.112 1.00 0.00 H new ATOM 0 HA VAL A 135 8.780 2.683 1.990 1.00 0.00 H new ATOM 0 HB VAL A 135 8.194 0.791 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.865 1.550 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.954 2.885 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.378 2.727 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.695 -0.339 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.242 0.760 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.388 -0.380 2.170 1.00 0.00 H new ATOM 893 N LYS A 136 8.969 4.450 3.744 1.00 0.00 N ATOM 894 CA LYS A 136 9.215 5.534 4.688 1.00 0.00 C ATOM 895 C LYS A 136 8.166 5.540 5.795 1.00 0.00 C ATOM 896 O LYS A 136 8.500 5.557 6.980 1.00 0.00 O ATOM 897 CB LYS A 136 9.214 6.881 3.963 1.00 0.00 C ATOM 898 CG LYS A 136 10.473 7.700 4.197 1.00 0.00 C ATOM 899 CD LYS A 136 10.503 8.285 5.599 1.00 0.00 C ATOM 900 CE LYS A 136 11.804 7.953 6.312 1.00 0.00 C ATOM 901 NZ LYS A 136 12.782 9.073 6.234 1.00 0.00 N ATOM 0 H LYS A 136 8.454 4.727 2.908 1.00 0.00 H new ATOM 0 HA LYS A 136 10.194 5.373 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.097 6.708 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.349 7.459 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.351 7.072 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.526 8.505 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.382 9.367 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.662 7.898 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.597 7.724 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.242 7.058 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.655 8.807 6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 13.000 9.275 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 12.375 9.921 6.678 1.00 0.00 H new ATOM 915 N ALA A 137 6.896 5.528 5.402 1.00 0.00 N ATOM 916 CA ALA A 137 5.799 5.533 6.363 1.00 0.00 C ATOM 917 C ALA A 137 4.448 5.522 5.658 1.00 0.00 C ATOM 918 O ALA A 137 4.299 6.077 4.569 1.00 0.00 O ATOM 919 CB ALA A 137 5.908 6.743 7.279 1.00 0.00 C ATOM 0 H ALA A 137 6.602 5.515 4.426 1.00 0.00 H new ATOM 0 HA ALA A 137 5.871 4.626 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 137 5.083 6.735 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.854 6.707 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.864 7.655 6.684 1.00 0.00 H new ATOM 925 N ILE A 138 3.464 4.888 6.288 1.00 0.00 N ATOM 926 CA ILE A 138 2.122 4.806 5.724 1.00 0.00 C ATOM 927 C ILE A 138 1.174 5.774 6.426 1.00 0.00 C ATOM 928 O ILE A 138 1.184 5.888 7.652 1.00 0.00 O ATOM 929 CB ILE A 138 1.553 3.374 5.829 1.00 0.00 C ATOM 930 CG1 ILE A 138 2.259 2.444 4.841 1.00 0.00 C ATOM 931 CG2 ILE A 138 0.050 3.373 5.579 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.476 1.184 4.533 1.00 0.00 C ATOM 0 H ILE A 138 3.571 4.423 7.190 1.00 0.00 H new ATOM 0 HA ILE A 138 2.202 5.078 4.672 1.00 0.00 H new ATOM 0 HB ILE A 138 1.733 3.007 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.442 2.985 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.232 2.168 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.331 2.355 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.442 4.003 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.153 3.760 4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.036 0.571 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.315 0.622 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.513 1.451 4.098 1.00 0.00 H new ATOM 944 N LEU A 139 0.352 6.464 5.642 1.00 0.00 N ATOM 945 CA LEU A 139 -0.606 7.417 6.191 1.00 0.00 C ATOM 946 C LEU A 139 -1.910 6.720 6.547 1.00 0.00 C ATOM 947 O LEU A 139 -2.379 6.801 7.682 1.00 0.00 O ATOM 948 CB LEU A 139 -0.893 8.530 5.186 1.00 0.00 C ATOM 949 CG LEU A 139 0.206 9.587 5.056 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.382 9.039 4.264 1.00 0.00 C ATOM 951 CD2 LEU A 139 -0.341 10.846 4.400 1.00 0.00 C ATOM 0 H LEU A 139 0.330 6.381 4.626 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.169 7.848 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.060 8.080 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.821 9.026 5.472 1.00 0.00 H new ATOM 0 HG LEU A 139 0.556 9.845 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.154 9.804 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.789 8.166 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.047 8.753 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 139 0.454 11.587 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.719 10.604 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.151 11.250 5.007 1.00 0.00 H new ATOM 963 N VAL A 140 -2.490 6.042 5.562 1.00 0.00 N ATOM 964 CA VAL A 140 -3.745 5.331 5.755 1.00 0.00 C ATOM 965 C VAL A 140 -3.858 4.788 7.172 1.00 0.00 C ATOM 966 O VAL A 140 -2.903 4.233 7.717 1.00 0.00 O ATOM 967 CB VAL A 140 -3.896 4.169 4.758 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.154 3.370 5.059 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.915 4.692 3.329 1.00 0.00 C ATOM 0 H VAL A 140 -2.108 5.971 4.619 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.543 6.052 5.581 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.038 3.506 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.245 2.552 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.094 2.964 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.025 4.020 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.022 3.857 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.753 5.377 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.983 5.217 3.121 1.00 0.00 H new ATOM 979 N GLU A 141 -5.032 4.957 7.763 1.00 0.00 N ATOM 980 CA GLU A 141 -5.287 4.494 9.117 1.00 0.00 C ATOM 981 C GLU A 141 -5.524 2.989 9.143 1.00 0.00 C ATOM 982 O GLU A 141 -6.513 2.517 9.702 1.00 0.00 O ATOM 983 CB GLU A 141 -6.497 5.221 9.709 1.00 0.00 C ATOM 984 CG GLU A 141 -6.170 6.600 10.259 1.00 0.00 C ATOM 985 CD GLU A 141 -5.154 7.340 9.411 1.00 0.00 C ATOM 986 OE1 GLU A 141 -3.959 6.981 9.467 1.00 0.00 O ATOM 987 OE2 GLU A 141 -5.554 8.277 8.689 1.00 0.00 O ATOM 0 H GLU A 141 -5.828 5.416 7.320 1.00 0.00 H new ATOM 0 HA GLU A 141 -4.407 4.716 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -7.264 5.318 8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -6.921 4.612 10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.085 7.189 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -5.787 6.501 11.275 1.00 0.00 H new ATOM 994 N SER A 142 -4.600 2.243 8.545 1.00 0.00 N ATOM 995 CA SER A 142 -4.694 0.790 8.511 1.00 0.00 C ATOM 996 C SER A 142 -6.150 0.327 8.444 1.00 0.00 C ATOM 997 O SER A 142 -6.810 0.192 9.474 1.00 0.00 O ATOM 998 CB SER A 142 -4.030 0.224 9.758 1.00 0.00 C ATOM 999 OG SER A 142 -4.463 -1.101 10.015 1.00 0.00 O ATOM 0 H SER A 142 -3.777 2.623 8.077 1.00 0.00 H new ATOM 0 HA SER A 142 -4.188 0.428 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.947 0.238 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 142 -4.261 0.857 10.615 1.00 0.00 H new ATOM 0 HG SER A 142 -4.019 -1.440 10.821 1.00 0.00 H new ATOM 1005 N GLY A 143 -6.652 0.089 7.234 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.026 -0.349 7.084 1.00 0.00 C ATOM 1007 C GLY A 143 -8.927 0.764 6.597 1.00 0.00 C ATOM 1008 O GLY A 143 -9.936 0.514 5.938 1.00 0.00 O ATOM 0 H GLY A 143 -6.134 0.191 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.066 -1.181 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.394 -0.721 8.040 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.560 1.999 6.920 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.342 3.159 6.509 1.00 0.00 C ATOM 1014 C GLN A 144 -9.867 2.979 5.088 1.00 0.00 C ATOM 1015 O GLN A 144 -9.106 2.681 4.166 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.494 4.429 6.597 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.276 5.652 7.044 1.00 0.00 C ATOM 1018 CD GLN A 144 -9.118 6.824 6.096 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.889 6.643 4.901 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -9.239 8.035 6.627 1.00 0.00 N ATOM 0 H GLN A 144 -7.727 2.223 7.465 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.193 3.254 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -7.672 4.260 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -8.050 4.628 5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.332 5.394 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -8.944 5.947 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -9.429 8.138 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -9.142 8.862 6.038 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.182 3.160 4.896 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.817 3.018 3.582 1.00 0.00 C ATOM 1031 C PRO A 145 -11.330 4.068 2.588 1.00 0.00 C ATOM 1032 O PRO A 145 -11.919 5.142 2.467 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.309 3.213 3.878 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.351 3.967 5.163 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.150 3.516 5.944 1.00 0.00 C ATOM 0 HA PRO A 145 -11.585 2.058 3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.801 3.767 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.823 2.256 3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -13.321 5.042 4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.272 3.759 5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.770 4.307 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.382 2.665 6.584 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.250 3.749 1.881 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.681 4.662 0.898 1.00 0.00 C ATOM 1045 C VAL A 146 -10.772 5.461 0.193 1.00 0.00 C ATOM 1046 O VAL A 146 -11.921 5.028 0.115 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.852 3.907 -0.158 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -8.331 4.867 -1.216 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -7.705 3.156 0.501 1.00 0.00 C ATOM 0 H VAL A 146 -9.752 2.864 1.971 1.00 0.00 H new ATOM 0 HA VAL A 146 -9.028 5.344 1.443 1.00 0.00 H new ATOM 0 HB VAL A 146 -9.499 3.180 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.748 4.315 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -9.171 5.355 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.700 5.620 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.130 2.629 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.057 3.863 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -8.104 2.437 1.217 1.00 0.00 H new ATOM 1059 N GLU A 147 -10.405 6.632 -0.317 1.00 0.00 N ATOM 1060 CA GLU A 147 -11.353 7.493 -1.013 1.00 0.00 C ATOM 1061 C GLU A 147 -10.662 8.277 -2.124 1.00 0.00 C ATOM 1062 O GLU A 147 -10.843 9.488 -2.247 1.00 0.00 O ATOM 1063 CB GLU A 147 -12.016 8.456 -0.028 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.926 8.003 1.419 1.00 0.00 C ATOM 1065 CD GLU A 147 -10.508 8.034 1.953 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -9.628 8.598 1.268 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -10.275 7.495 3.055 1.00 0.00 O ATOM 0 H GLU A 147 -9.458 7.006 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 147 -12.119 6.861 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.550 9.437 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -13.065 8.574 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.557 8.643 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.320 6.990 1.504 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.871 7.578 -2.931 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.155 8.209 -4.032 1.00 0.00 C ATOM 1076 C PHE A 148 -8.138 9.220 -3.512 1.00 0.00 C ATOM 1077 O PHE A 148 -8.489 10.158 -2.796 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.136 8.899 -4.976 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.763 8.778 -6.427 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.503 9.166 -6.869 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.673 8.276 -7.350 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.157 9.055 -8.207 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -10.332 8.162 -8.690 1.00 0.00 C ATOM 1084 CZ PHE A 148 -9.073 8.552 -9.118 1.00 0.00 C ATOM 0 H PHE A 148 -9.710 6.575 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.621 7.431 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -11.129 8.474 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.199 9.955 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -7.786 9.558 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.656 7.972 -7.021 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.176 9.360 -8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -11.047 7.770 -9.398 1.00 0.00 H new ATOM 0 HZ PHE A 148 -8.806 8.464 -10.161 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.875 9.024 -3.878 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.807 9.919 -3.449 1.00 0.00 C ATOM 1096 C ASP A 149 -5.515 9.750 -1.961 1.00 0.00 C ATOM 1097 O ASP A 149 -5.646 10.693 -1.182 1.00 0.00 O ATOM 1098 CB ASP A 149 -6.182 11.372 -3.745 1.00 0.00 C ATOM 1099 CG ASP A 149 -5.384 11.951 -4.896 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.606 11.199 -5.518 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -5.537 13.159 -5.176 1.00 0.00 O ATOM 0 H ASP A 149 -6.567 8.253 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.907 9.661 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -7.245 11.430 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.018 11.976 -2.853 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.118 8.541 -1.574 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.807 8.249 -0.179 1.00 0.00 C ATOM 1108 C GLU A 150 -3.414 7.642 -0.051 1.00 0.00 C ATOM 1109 O GLU A 150 -3.201 6.477 -0.387 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.848 7.294 0.408 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.637 7.888 1.563 1.00 0.00 C ATOM 1112 CD GLU A 150 -6.198 7.344 2.908 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -5.085 7.695 3.355 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -6.965 6.567 3.514 1.00 0.00 O ATOM 0 H GLU A 150 -5.004 7.749 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.830 9.186 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.541 6.997 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.346 6.389 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.521 8.972 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.697 7.680 1.419 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.445 8.429 0.439 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.067 7.969 0.613 1.00 0.00 C ATOM 1123 C PRO A 151 -0.995 6.600 1.282 1.00 0.00 C ATOM 1124 O PRO A 151 -0.861 6.498 2.502 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.453 9.042 1.513 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.223 10.279 1.200 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.622 9.830 0.864 1.00 0.00 C ATOM 0 HA PRO A 151 -0.550 7.845 -0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.542 8.775 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.609 9.173 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.227 10.961 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.775 10.815 0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.285 9.907 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -3.058 10.437 0.071 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.087 5.550 0.472 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.035 4.184 0.979 1.00 0.00 C ATOM 1137 C LEU A 152 0.342 3.863 1.550 1.00 0.00 C ATOM 1138 O LEU A 152 0.456 3.283 2.629 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.382 3.193 -0.135 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.679 3.494 -0.888 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.898 2.480 -2.000 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.860 3.500 0.071 1.00 0.00 C ATOM 0 H LEU A 152 -1.198 5.620 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.768 4.094 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.560 3.172 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.454 2.195 0.297 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.596 4.483 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.825 2.710 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.064 2.523 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.962 1.479 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.775 3.716 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.946 2.524 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.706 4.265 0.833 1.00 0.00 H new ATOM 1154 N VAL A 153 1.386 4.243 0.819 1.00 0.00 N ATOM 1155 CA VAL A 153 2.753 3.992 1.257 1.00 0.00 C ATOM 1156 C VAL A 153 3.735 4.919 0.551 1.00 0.00 C ATOM 1157 O VAL A 153 3.693 5.071 -0.670 1.00 0.00 O ATOM 1158 CB VAL A 153 3.167 2.532 0.998 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.171 2.067 2.040 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.944 1.626 0.981 1.00 0.00 C ATOM 0 H VAL A 153 1.311 4.725 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 153 2.781 4.185 2.329 1.00 0.00 H new ATOM 0 HB VAL A 153 3.645 2.477 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.451 1.033 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.059 2.698 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.724 2.136 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.255 0.598 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.435 1.684 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.265 1.947 0.191 1.00 0.00 H new ATOM 1170 N VAL A 154 4.621 5.534 1.327 1.00 0.00 N ATOM 1171 CA VAL A 154 5.616 6.445 0.777 1.00 0.00 C ATOM 1172 C VAL A 154 7.023 5.880 0.939 1.00 0.00 C ATOM 1173 O VAL A 154 7.497 5.677 2.057 1.00 0.00 O ATOM 1174 CB VAL A 154 5.548 7.826 1.454 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.112 8.319 1.525 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.170 7.770 2.842 1.00 0.00 C ATOM 0 H VAL A 154 4.670 5.418 2.339 1.00 0.00 H new ATOM 0 HA VAL A 154 5.391 6.558 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 154 6.119 8.533 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.086 9.296 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.705 8.400 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.513 7.614 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.113 8.755 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.629 7.049 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.214 7.467 2.761 1.00 0.00 H new ATOM 1186 N ILE A 155 7.687 5.630 -0.186 1.00 0.00 N ATOM 1187 CA ILE A 155 9.041 5.089 -0.170 1.00 0.00 C ATOM 1188 C ILE A 155 10.073 6.196 0.004 1.00 0.00 C ATOM 1189 O ILE A 155 9.895 7.309 -0.493 1.00 0.00 O ATOM 1190 CB ILE A 155 9.351 4.317 -1.466 1.00 0.00 C ATOM 1191 CG1 ILE A 155 8.248 3.299 -1.757 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.704 3.626 -1.362 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.922 3.168 -3.228 1.00 0.00 C ATOM 0 H ILE A 155 7.309 5.794 -1.119 1.00 0.00 H new ATOM 0 HA ILE A 155 9.098 4.405 0.677 1.00 0.00 H new ATOM 0 HB ILE A 155 9.390 5.027 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.552 2.326 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.346 3.588 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.908 3.085 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.482 4.372 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.692 2.926 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 155 7.132 2.429 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.587 4.131 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.812 2.849 -3.771 1.00 0.00 H new ATOM 1205 N GLU A 156 11.153 5.884 0.711 1.00 0.00 N ATOM 1206 CA GLU A 156 12.215 6.853 0.950 1.00 0.00 C ATOM 1207 C GLU A 156 13.031 7.087 -0.317 1.00 0.00 C ATOM 1208 O GLU A 156 13.777 8.089 -0.364 1.00 0.00 O ATOM 1209 CB GLU A 156 13.130 6.370 2.077 1.00 0.00 C ATOM 1210 CG GLU A 156 14.161 7.400 2.508 1.00 0.00 C ATOM 1211 CD GLU A 156 15.494 6.775 2.869 1.00 0.00 C ATOM 1212 OE1 GLU A 156 15.647 5.550 2.676 1.00 0.00 O ATOM 1213 OE2 GLU A 156 16.385 7.509 3.346 1.00 0.00 O ATOM 1214 OXT GLU A 156 12.917 6.268 -1.253 1.00 0.00 O ATOM 0 H GLU A 156 11.316 4.968 1.128 1.00 0.00 H new ATOM 0 HA GLU A 156 11.754 7.796 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.519 6.097 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.646 5.466 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.308 8.120 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.779 7.954 3.366 1.00 0.00 H new