USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 13 HIS : no HE2:sc= -1.91! C(o=-3!,f=-3.9!) USER MOD Set 1.2: A 104 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.601 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 65 THR OG1 : rot -82:sc= 0.914 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.011) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 177:sc= 0 (180deg=-0.0153) USER MOD Single : A 73 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.9!) USER MOD Single : A 78 ASN : amide:sc= -16.8! C(o=-17!,f=-32!) USER MOD Single : A 83 THR OG1 : rot 123:sc= 0.612 USER MOD Single : A 84 SER OG : rot -56:sc= 0.201 USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= 0.92 (180deg=-1.06!) USER MOD Single : A 86 THR OG1 : rot 130:sc= -1.11 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.3!) USER MOD Single : A 97 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0699 X(o=-0.07,f=-0.31) USER MOD Single : A 111 MET CE :methyl -145:sc= -0.613 (180deg=-0.941) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.422 -14.441 4.810 1.00 0.00 N ATOM 84 CA TYR A 9 -8.293 -15.004 3.475 1.00 0.00 C ATOM 85 C TYR A 9 -7.823 -16.460 3.538 1.00 0.00 C ATOM 86 O TYR A 9 -7.571 -16.989 4.620 1.00 0.00 O ATOM 87 CB TYR A 9 -7.227 -14.167 2.766 1.00 0.00 C ATOM 88 CG TYR A 9 -7.742 -12.833 2.223 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.976 -12.770 1.607 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.975 -11.693 2.349 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.462 -11.514 1.096 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.461 -10.438 1.838 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.680 -10.410 1.237 1.00 0.00 C ATOM 94 OH TYR A 9 -9.139 -9.225 0.754 1.00 0.00 O ATOM 0 HA TYR A 9 -9.251 -14.987 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.410 -13.973 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.813 -14.748 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.577 -13.662 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.010 -11.742 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.425 -11.450 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.870 -9.539 1.930 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.477 -8.523 0.926 1.00 0.00 H new ATOM 104 N ILE A 10 -7.719 -17.065 2.364 1.00 0.00 N ATOM 105 CA ILE A 10 -7.285 -18.449 2.272 1.00 0.00 C ATOM 106 C ILE A 10 -5.760 -18.509 2.393 1.00 0.00 C ATOM 107 O ILE A 10 -5.193 -19.580 2.606 1.00 0.00 O ATOM 108 CB ILE A 10 -7.826 -19.096 0.995 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.499 -18.244 -0.233 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.325 -19.377 1.116 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.941 -19.107 -1.366 1.00 0.00 C ATOM 0 H ILE A 10 -7.928 -16.623 1.469 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.695 -19.033 3.096 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.328 -20.056 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.398 -17.729 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.773 -17.476 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.684 -19.837 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.502 -20.053 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.858 -18.442 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.717 -18.477 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.029 -19.602 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.679 -19.858 -1.648 1.00 0.00 H new ATOM 123 N PHE A 11 -5.141 -17.346 2.253 1.00 0.00 N ATOM 124 CA PHE A 11 -3.694 -17.253 2.344 1.00 0.00 C ATOM 125 C PHE A 11 -3.272 -16.490 3.601 1.00 0.00 C ATOM 126 O PHE A 11 -4.074 -15.769 4.192 1.00 0.00 O ATOM 127 CB PHE A 11 -3.216 -16.485 1.110 1.00 0.00 C ATOM 128 CG PHE A 11 -3.925 -15.146 0.898 1.00 0.00 C ATOM 129 CD1 PHE A 11 -5.069 -15.090 0.165 1.00 0.00 C ATOM 130 CD2 PHE A 11 -3.409 -14.011 1.442 1.00 0.00 C ATOM 131 CE1 PHE A 11 -5.726 -13.848 -0.032 1.00 0.00 C ATOM 132 CE2 PHE A 11 -4.067 -12.768 1.245 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.211 -12.713 0.512 1.00 0.00 C ATOM 0 H PHE A 11 -5.615 -16.460 2.077 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.259 -18.251 2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.144 -16.307 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.365 -17.107 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.478 -15.991 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.500 -14.055 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.635 -13.804 -0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.659 -11.866 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.711 -11.767 0.362 1.00 0.00 H new ATOM 143 N PRO A 12 -1.980 -16.677 3.981 1.00 0.00 N ATOM 144 CA PRO A 12 -1.441 -16.014 5.156 1.00 0.00 C ATOM 145 C PRO A 12 -1.180 -14.532 4.878 1.00 0.00 C ATOM 146 O PRO A 12 -0.365 -14.193 4.022 1.00 0.00 O ATOM 147 CB PRO A 12 -0.177 -16.787 5.499 1.00 0.00 C ATOM 148 CG PRO A 12 0.195 -17.556 4.243 1.00 0.00 C ATOM 149 CD PRO A 12 -1.000 -17.524 3.305 1.00 0.00 C ATOM 0 HA PRO A 12 -2.134 -16.018 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.625 -16.112 5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.348 -17.465 6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.067 -17.108 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.459 -18.584 4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.728 -17.116 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.394 -18.525 3.132 1.00 0.00 H new ATOM 157 N HIS A 13 -1.886 -13.691 5.619 1.00 0.00 N ATOM 158 CA HIS A 13 -1.740 -12.254 5.462 1.00 0.00 C ATOM 159 C HIS A 13 -1.726 -11.586 6.839 1.00 0.00 C ATOM 160 O HIS A 13 -2.046 -12.221 7.843 1.00 0.00 O ATOM 161 CB HIS A 13 -2.829 -11.694 4.544 1.00 0.00 C ATOM 162 CG HIS A 13 -4.119 -11.358 5.254 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.472 -11.915 6.470 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.134 -10.517 4.906 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.648 -11.425 6.829 1.00 0.00 C ATOM 166 NE2 HIS A 13 -6.059 -10.558 5.859 1.00 0.00 N ATOM 0 H HIS A 13 -2.560 -13.977 6.329 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.788 -12.033 4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.451 -10.796 4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.037 -12.421 3.759 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.920 -12.589 7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.179 -9.919 4.008 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.188 -11.669 7.732 1.00 0.00 H new ATOM 174 N ALA A 14 -1.350 -10.316 6.841 1.00 0.00 N ATOM 175 CA ALA A 14 -1.290 -9.556 8.079 1.00 0.00 C ATOM 176 C ALA A 14 -1.628 -8.092 7.790 1.00 0.00 C ATOM 177 O ALA A 14 -1.193 -7.538 6.781 1.00 0.00 O ATOM 178 CB ALA A 14 0.094 -9.721 8.711 1.00 0.00 C ATOM 0 H ALA A 14 -1.084 -9.794 6.006 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.023 -9.928 8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.140 -9.152 9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.274 -10.775 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.855 -9.354 8.022 1.00 0.00 H new ATOM 184 N ARG A 15 -2.400 -7.507 8.694 1.00 0.00 N ATOM 185 CA ARG A 15 -2.802 -6.119 8.548 1.00 0.00 C ATOM 186 C ARG A 15 -2.046 -5.240 9.548 1.00 0.00 C ATOM 187 O ARG A 15 -2.402 -5.184 10.724 1.00 0.00 O ATOM 188 CB ARG A 15 -4.306 -5.954 8.771 1.00 0.00 C ATOM 189 CG ARG A 15 -5.039 -5.753 7.444 1.00 0.00 C ATOM 190 CD ARG A 15 -6.544 -5.588 7.666 1.00 0.00 C ATOM 191 NE ARG A 15 -7.267 -6.763 7.130 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.565 -7.011 7.352 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.290 -6.168 8.099 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.137 -8.102 6.826 1.00 0.00 N ATOM 0 H ARG A 15 -2.758 -7.969 9.530 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.561 -5.810 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.701 -6.834 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.489 -5.101 9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.644 -4.873 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.856 -6.606 6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.753 -5.477 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.895 -4.680 7.175 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.745 -7.425 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.854 -5.337 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.278 -6.357 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.585 -8.743 6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.125 -8.291 6.995 1.00 0.00 H new ATOM 208 N ILE A 16 -1.016 -4.577 9.044 1.00 0.00 N ATOM 209 CA ILE A 16 -0.207 -3.703 9.876 1.00 0.00 C ATOM 210 C ILE A 16 -0.395 -2.255 9.424 1.00 0.00 C ATOM 211 O ILE A 16 0.065 -1.872 8.349 1.00 0.00 O ATOM 212 CB ILE A 16 1.252 -4.164 9.877 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.423 -5.446 10.694 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.179 -3.048 10.361 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.085 -6.680 9.854 1.00 0.00 C ATOM 0 H ILE A 16 -0.723 -4.628 8.068 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.534 -3.756 10.914 1.00 0.00 H new ATOM 0 HB ILE A 16 1.536 -4.397 8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.449 -5.517 11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.778 -5.411 11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.210 -3.402 10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.086 -2.186 9.701 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.903 -2.760 11.375 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.215 -7.578 10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.051 -6.617 9.515 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.748 -6.725 8.990 1.00 0.00 H new ATOM 227 N LYS A 17 -1.072 -1.488 10.266 1.00 0.00 N ATOM 228 CA LYS A 17 -1.327 -0.089 9.965 1.00 0.00 C ATOM 229 C LYS A 17 -0.124 0.748 10.403 1.00 0.00 C ATOM 230 O LYS A 17 0.377 0.590 11.515 1.00 0.00 O ATOM 231 CB LYS A 17 -2.649 0.361 10.588 1.00 0.00 C ATOM 232 CG LYS A 17 -2.420 1.459 11.628 1.00 0.00 C ATOM 233 CD LYS A 17 -1.912 0.869 12.946 1.00 0.00 C ATOM 234 CE LYS A 17 -2.891 1.155 14.087 1.00 0.00 C ATOM 235 NZ LYS A 17 -2.760 0.133 15.150 1.00 0.00 N ATOM 0 H LYS A 17 -1.452 -1.809 11.157 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.443 0.055 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.316 0.728 9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.143 -0.491 11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.698 2.181 11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.350 2.000 11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.777 -0.207 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.936 1.291 13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.698 2.145 14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.912 1.162 13.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.431 0.342 15.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.966 -0.807 14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.790 0.145 15.526 1.00 0.00 H new ATOM 249 N ILE A 18 0.305 1.623 9.505 1.00 0.00 N ATOM 250 CA ILE A 18 1.441 2.487 9.784 1.00 0.00 C ATOM 251 C ILE A 18 0.988 3.645 10.675 1.00 0.00 C ATOM 252 O ILE A 18 0.107 4.417 10.297 1.00 0.00 O ATOM 253 CB ILE A 18 2.105 2.937 8.482 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.332 1.750 7.543 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.400 3.702 8.762 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.958 2.110 6.104 1.00 0.00 C ATOM 0 H ILE A 18 -0.113 1.753 8.584 1.00 0.00 H new ATOM 0 HA ILE A 18 2.208 1.942 10.334 1.00 0.00 H new ATOM 0 HB ILE A 18 1.429 3.625 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.377 1.443 7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.737 0.900 7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.852 4.010 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.179 4.583 9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.093 3.058 9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.129 1.249 5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.906 2.393 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.572 2.945 5.766 1.00 0.00 H new ATOM 268 N THR A 19 1.609 3.730 11.843 1.00 0.00 N ATOM 269 CA THR A 19 1.281 4.781 12.791 1.00 0.00 C ATOM 270 C THR A 19 2.421 5.797 12.877 1.00 0.00 C ATOM 271 O THR A 19 3.583 5.450 12.673 1.00 0.00 O ATOM 272 CB THR A 19 0.951 4.122 14.132 1.00 0.00 C ATOM 273 OG1 THR A 19 1.399 2.778 13.977 1.00 0.00 O ATOM 274 CG2 THR A 19 -0.555 3.988 14.365 1.00 0.00 C ATOM 0 H THR A 19 2.338 3.088 12.154 1.00 0.00 H new ATOM 0 HA THR A 19 0.408 5.347 12.467 1.00 0.00 H new ATOM 0 HB THR A 19 1.392 4.705 14.941 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.225 2.278 14.802 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.733 3.514 15.330 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.014 4.977 14.356 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.992 3.377 13.575 1.00 0.00 H new ATOM 449 N LEU A 32 5.029 9.693 6.898 1.00 0.00 N ATOM 450 CA LEU A 32 5.001 8.406 6.225 1.00 0.00 C ATOM 451 C LEU A 32 5.868 8.475 4.965 1.00 0.00 C ATOM 452 O LEU A 32 6.035 9.545 4.382 1.00 0.00 O ATOM 453 CB LEU A 32 3.559 7.972 5.958 1.00 0.00 C ATOM 454 CG LEU A 32 2.862 7.221 7.093 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.498 8.170 8.237 1.00 0.00 C ATOM 456 CD2 LEU A 32 1.644 6.452 6.576 1.00 0.00 C ATOM 0 HA LEU A 32 5.428 7.633 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.972 8.859 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.550 7.339 5.071 1.00 0.00 H new ATOM 0 HG LEU A 32 3.560 6.486 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.004 7.610 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.404 8.632 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.827 8.945 7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.167 5.927 7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.934 7.150 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.962 5.730 5.824 1.00 0.00 H new ATOM 468 N GLY A 33 6.394 7.321 4.584 1.00 0.00 N ATOM 469 CA GLY A 33 7.238 7.237 3.404 1.00 0.00 C ATOM 470 C GLY A 33 7.234 5.820 2.827 1.00 0.00 C ATOM 471 O GLY A 33 7.927 4.938 3.332 1.00 0.00 O ATOM 0 H GLY A 33 6.252 6.436 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.886 7.941 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.257 7.526 3.660 1.00 0.00 H new ATOM 475 N ILE A 34 6.446 5.646 1.775 1.00 0.00 N ATOM 476 CA ILE A 34 6.343 4.351 1.124 1.00 0.00 C ATOM 477 C ILE A 34 6.067 4.556 -0.367 1.00 0.00 C ATOM 478 O ILE A 34 5.275 5.417 -0.743 1.00 0.00 O ATOM 479 CB ILE A 34 5.301 3.479 1.828 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.370 2.033 1.331 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.898 4.070 1.676 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.764 1.071 2.355 1.00 0.00 C ATOM 0 H ILE A 34 5.874 6.380 1.358 1.00 0.00 H new ATOM 0 HA ILE A 34 7.285 3.808 1.203 1.00 0.00 H new ATOM 0 HB ILE A 34 5.531 3.465 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.837 1.944 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.408 1.760 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.177 3.431 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.874 5.067 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.643 4.134 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.826 0.051 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.314 1.144 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.720 1.332 2.526 1.00 0.00 H new ATOM 494 N ARG A 35 6.738 3.749 -1.176 1.00 0.00 N ATOM 495 CA ARG A 35 6.576 3.831 -2.617 1.00 0.00 C ATOM 496 C ARG A 35 5.907 2.561 -3.148 1.00 0.00 C ATOM 497 O ARG A 35 6.539 1.509 -3.231 1.00 0.00 O ATOM 498 CB ARG A 35 7.925 4.018 -3.314 1.00 0.00 C ATOM 499 CG ARG A 35 8.488 5.417 -3.053 1.00 0.00 C ATOM 500 CD ARG A 35 9.020 6.043 -4.343 1.00 0.00 C ATOM 501 NE ARG A 35 9.813 7.253 -4.028 1.00 0.00 N ATOM 502 CZ ARG A 35 10.524 7.941 -4.932 1.00 0.00 C ATOM 503 NH1 ARG A 35 10.547 7.543 -6.210 1.00 0.00 N ATOM 504 NH2 ARG A 35 11.213 9.028 -4.555 1.00 0.00 N ATOM 0 H ARG A 35 7.395 3.035 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 35 5.947 4.695 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.630 3.266 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.809 3.863 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.710 6.053 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.289 5.359 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.638 5.322 -4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.190 6.303 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 35 9.819 7.583 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.023 6.716 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.088 8.067 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.196 9.330 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.754 9.552 -5.242 1.00 0.00 H new ATOM 518 N ILE A 36 4.636 2.702 -3.498 1.00 0.00 N ATOM 519 CA ILE A 36 3.874 1.579 -4.019 1.00 0.00 C ATOM 520 C ILE A 36 3.551 1.830 -5.493 1.00 0.00 C ATOM 521 O ILE A 36 2.862 2.792 -5.827 1.00 0.00 O ATOM 522 CB ILE A 36 2.640 1.322 -3.153 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.041 0.920 -1.732 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.720 0.287 -3.804 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.827 0.916 -0.800 1.00 0.00 C ATOM 0 H ILE A 36 4.115 3.576 -3.431 1.00 0.00 H new ATOM 0 HA ILE A 36 4.463 0.663 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 36 2.076 2.252 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.497 -0.070 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.793 1.612 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.850 0.122 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.394 0.652 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.260 -0.651 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.140 0.627 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.388 1.913 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.088 0.205 -1.169 1.00 0.00 H new ATOM 537 N VAL A 37 4.064 0.946 -6.336 1.00 0.00 N ATOM 538 CA VAL A 37 3.837 1.059 -7.767 1.00 0.00 C ATOM 539 C VAL A 37 2.571 0.288 -8.142 1.00 0.00 C ATOM 540 O VAL A 37 2.377 -0.845 -7.704 1.00 0.00 O ATOM 541 CB VAL A 37 5.074 0.582 -8.532 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.748 0.340 -10.006 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.228 1.576 -8.381 1.00 0.00 C ATOM 0 H VAL A 37 4.636 0.149 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 37 3.678 2.101 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 37 5.390 -0.367 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.644 0.002 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.972 -0.422 -10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.395 1.267 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.095 1.214 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.926 2.547 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.486 1.676 -7.327 1.00 0.00 H new ATOM 553 N GLY A 38 1.739 0.933 -8.947 1.00 0.00 N ATOM 554 CA GLY A 38 0.496 0.322 -9.384 1.00 0.00 C ATOM 555 C GLY A 38 0.600 -0.153 -10.836 1.00 0.00 C ATOM 556 O GLY A 38 1.591 0.117 -11.511 1.00 0.00 O ATOM 0 H GLY A 38 1.902 1.873 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.254 -0.522 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.319 1.039 -9.290 1.00 0.00 H new ATOM 560 N GLY A 39 -0.438 -0.852 -11.271 1.00 0.00 N ATOM 561 CA GLY A 39 -0.476 -1.367 -12.629 1.00 0.00 C ATOM 562 C GLY A 39 0.605 -2.428 -12.844 1.00 0.00 C ATOM 563 O GLY A 39 1.276 -2.436 -13.875 1.00 0.00 O ATOM 0 H GLY A 39 -1.259 -1.074 -10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.457 -1.796 -12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.334 -0.549 -13.336 1.00 0.00 H new ATOM 567 N LYS A 40 0.740 -3.298 -11.854 1.00 0.00 N ATOM 568 CA LYS A 40 1.728 -4.361 -11.922 1.00 0.00 C ATOM 569 C LYS A 40 1.023 -5.715 -11.814 1.00 0.00 C ATOM 570 O LYS A 40 0.152 -5.899 -10.965 1.00 0.00 O ATOM 571 CB LYS A 40 2.816 -4.149 -10.867 1.00 0.00 C ATOM 572 CG LYS A 40 4.149 -4.744 -11.327 1.00 0.00 C ATOM 573 CD LYS A 40 5.080 -3.654 -11.863 1.00 0.00 C ATOM 574 CE LYS A 40 6.547 -4.024 -11.630 1.00 0.00 C ATOM 575 NZ LYS A 40 7.399 -3.463 -12.703 1.00 0.00 N ATOM 0 H LYS A 40 0.182 -3.288 -11.000 1.00 0.00 H new ATOM 0 HA LYS A 40 2.240 -4.344 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.937 -3.083 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.512 -4.611 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.628 -5.259 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.971 -5.489 -12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.902 -3.510 -12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.858 -2.707 -11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.875 -3.645 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.655 -5.108 -11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.391 -3.723 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.096 -3.844 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.309 -2.427 -12.712 1.00 0.00 H new ATOM 589 N GLU A 41 1.426 -6.627 -12.686 1.00 0.00 N ATOM 590 CA GLU A 41 0.843 -7.958 -12.699 1.00 0.00 C ATOM 591 C GLU A 41 1.133 -8.678 -11.380 1.00 0.00 C ATOM 592 O GLU A 41 2.272 -8.692 -10.914 1.00 0.00 O ATOM 593 CB GLU A 41 1.356 -8.769 -13.891 1.00 0.00 C ATOM 594 CG GLU A 41 0.224 -9.080 -14.870 1.00 0.00 C ATOM 595 CD GLU A 41 0.548 -10.319 -15.709 1.00 0.00 C ATOM 596 OE1 GLU A 41 0.239 -11.429 -15.225 1.00 0.00 O ATOM 597 OE2 GLU A 41 1.099 -10.127 -16.814 1.00 0.00 O ATOM 0 H GLU A 41 2.149 -6.471 -13.388 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.237 -7.859 -12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.142 -8.213 -14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.802 -9.699 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.703 -9.241 -14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.061 -8.225 -15.526 1.00 0.00 H new ATOM 604 N ILE A 42 0.084 -9.257 -10.816 1.00 0.00 N ATOM 605 CA ILE A 42 0.212 -9.977 -9.560 1.00 0.00 C ATOM 606 C ILE A 42 0.476 -11.456 -9.849 1.00 0.00 C ATOM 607 O ILE A 42 -0.395 -12.156 -10.364 1.00 0.00 O ATOM 608 CB ILE A 42 -1.012 -9.732 -8.675 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.303 -8.236 -8.543 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.846 -10.407 -7.312 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.750 -7.995 -8.105 1.00 0.00 C ATOM 0 H ILE A 42 -0.859 -9.243 -11.205 1.00 0.00 H new ATOM 0 HA ILE A 42 1.066 -9.606 -8.993 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.878 -10.186 -9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.621 -7.792 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.121 -7.741 -9.497 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.729 -10.218 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.724 -11.481 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.034 -10.004 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.930 -6.923 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.429 -8.419 -8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.922 -8.471 -7.139 1.00 0.00 H new ATOM 623 N PRO A 43 1.712 -11.899 -9.497 1.00 0.00 N ATOM 624 CA PRO A 43 2.103 -13.281 -9.714 1.00 0.00 C ATOM 625 C PRO A 43 1.442 -14.204 -8.688 1.00 0.00 C ATOM 626 O PRO A 43 2.128 -14.879 -7.921 1.00 0.00 O ATOM 627 CB PRO A 43 3.620 -13.282 -9.623 1.00 0.00 C ATOM 628 CG PRO A 43 3.994 -11.997 -8.902 1.00 0.00 C ATOM 629 CD PRO A 43 2.769 -11.097 -8.885 1.00 0.00 C ATOM 0 HA PRO A 43 1.776 -13.663 -10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.978 -14.155 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.071 -13.319 -10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.324 -12.212 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.823 -11.503 -9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.506 -10.805 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.944 -10.179 -9.445 1.00 0.00 H new ATOM 637 N GLY A 44 0.117 -14.204 -8.705 1.00 0.00 N ATOM 638 CA GLY A 44 -0.644 -15.033 -7.786 1.00 0.00 C ATOM 639 C GLY A 44 -2.133 -15.018 -8.139 1.00 0.00 C ATOM 640 O GLY A 44 -2.790 -16.057 -8.112 1.00 0.00 O ATOM 0 H GLY A 44 -0.449 -13.643 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.269 -16.056 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.505 -14.674 -6.766 1.00 0.00 H new ATOM 644 N HIS A 45 -2.621 -13.830 -8.460 1.00 0.00 N ATOM 645 CA HIS A 45 -4.019 -13.666 -8.816 1.00 0.00 C ATOM 646 C HIS A 45 -4.202 -13.937 -10.311 1.00 0.00 C ATOM 647 O HIS A 45 -4.770 -13.117 -11.030 1.00 0.00 O ATOM 648 CB HIS A 45 -4.528 -12.285 -8.399 1.00 0.00 C ATOM 649 CG HIS A 45 -5.556 -12.318 -7.292 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.915 -12.426 -7.533 1.00 0.00 N ATOM 651 CD2 HIS A 45 -5.408 -12.258 -5.937 1.00 0.00 C ATOM 652 CE1 HIS A 45 -7.547 -12.429 -6.369 1.00 0.00 C ATOM 653 NE2 HIS A 45 -6.612 -12.324 -5.381 1.00 0.00 N ATOM 0 H HIS A 45 -2.072 -12.970 -8.481 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.624 -14.392 -8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.681 -11.679 -8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.961 -11.791 -9.269 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.471 -12.172 -5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.615 -12.502 -6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.806 -12.300 -4.380 1.00 0.00 H new ATOM 661 N SER A 46 -3.711 -15.092 -10.735 1.00 0.00 N ATOM 662 CA SER A 46 -3.814 -15.483 -12.130 1.00 0.00 C ATOM 663 C SER A 46 -2.952 -14.562 -12.996 1.00 0.00 C ATOM 664 O SER A 46 -1.844 -14.927 -13.386 1.00 0.00 O ATOM 665 CB SER A 46 -5.268 -15.452 -12.606 1.00 0.00 C ATOM 666 OG SER A 46 -5.703 -16.726 -13.073 1.00 0.00 O ATOM 0 H SER A 46 -3.240 -15.770 -10.136 1.00 0.00 H new ATOM 0 HA SER A 46 -3.451 -16.506 -12.226 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.911 -15.127 -11.788 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.373 -14.718 -13.405 1.00 0.00 H new ATOM 0 HG SER A 46 -6.636 -16.666 -13.366 1.00 0.00 H new ATOM 672 N GLY A 47 -3.495 -13.384 -13.272 1.00 0.00 N ATOM 673 CA GLY A 47 -2.789 -12.408 -14.084 1.00 0.00 C ATOM 674 C GLY A 47 -3.493 -11.049 -14.042 1.00 0.00 C ATOM 675 O GLY A 47 -3.836 -10.491 -15.083 1.00 0.00 O ATOM 0 H GLY A 47 -4.415 -13.085 -12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.765 -12.303 -13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.731 -12.760 -15.114 1.00 0.00 H new ATOM 679 N GLU A 48 -3.685 -10.556 -12.827 1.00 0.00 N ATOM 680 CA GLU A 48 -4.341 -9.274 -12.635 1.00 0.00 C ATOM 681 C GLU A 48 -3.334 -8.231 -12.145 1.00 0.00 C ATOM 682 O GLU A 48 -2.384 -8.565 -11.439 1.00 0.00 O ATOM 683 CB GLU A 48 -5.517 -9.399 -11.664 1.00 0.00 C ATOM 684 CG GLU A 48 -6.362 -8.124 -11.659 1.00 0.00 C ATOM 685 CD GLU A 48 -7.208 -8.021 -12.930 1.00 0.00 C ATOM 686 OE1 GLU A 48 -8.197 -8.779 -13.017 1.00 0.00 O ATOM 687 OE2 GLU A 48 -6.845 -7.185 -13.786 1.00 0.00 O ATOM 0 H GLU A 48 -3.398 -11.021 -11.966 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.739 -8.944 -13.595 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.137 -10.250 -11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.144 -9.596 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.012 -8.118 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.712 -7.253 -11.579 1.00 0.00 H new ATOM 694 N ILE A 49 -3.577 -6.990 -12.540 1.00 0.00 N ATOM 695 CA ILE A 49 -2.704 -5.896 -12.149 1.00 0.00 C ATOM 696 C ILE A 49 -3.093 -5.413 -10.750 1.00 0.00 C ATOM 697 O ILE A 49 -4.225 -5.613 -10.314 1.00 0.00 O ATOM 698 CB ILE A 49 -2.721 -4.792 -13.209 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.155 -4.371 -13.537 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.949 -5.219 -14.458 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.297 -2.847 -13.518 1.00 0.00 C ATOM 0 H ILE A 49 -4.366 -6.718 -13.127 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.670 -6.235 -12.092 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.213 -3.918 -12.801 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.435 -4.754 -14.519 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.842 -4.813 -12.815 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.977 -4.416 -15.195 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.914 -5.431 -14.191 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.405 -6.115 -14.879 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.326 -2.574 -13.754 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.040 -2.470 -12.528 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.627 -2.410 -14.258 1.00 0.00 H new ATOM 713 N GLY A 50 -2.133 -4.785 -10.088 1.00 0.00 N ATOM 714 CA GLY A 50 -2.360 -4.272 -8.748 1.00 0.00 C ATOM 715 C GLY A 50 -1.221 -3.346 -8.314 1.00 0.00 C ATOM 716 O GLY A 50 -0.404 -2.935 -9.137 1.00 0.00 O ATOM 0 H GLY A 50 -1.196 -4.620 -10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.305 -3.730 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.446 -5.102 -8.047 1.00 0.00 H new ATOM 720 N ALA A 51 -1.205 -3.046 -7.024 1.00 0.00 N ATOM 721 CA ALA A 51 -0.179 -2.177 -6.471 1.00 0.00 C ATOM 722 C ALA A 51 0.624 -2.947 -5.422 1.00 0.00 C ATOM 723 O ALA A 51 0.078 -3.790 -4.713 1.00 0.00 O ATOM 724 CB ALA A 51 -0.833 -0.917 -5.898 1.00 0.00 C ATOM 0 H ALA A 51 -1.885 -3.389 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 51 0.516 -1.859 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.065 -0.265 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.366 -0.391 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.535 -1.197 -5.112 1.00 0.00 H new ATOM 730 N TYR A 52 1.909 -2.628 -5.356 1.00 0.00 N ATOM 731 CA TYR A 52 2.793 -3.279 -4.404 1.00 0.00 C ATOM 732 C TYR A 52 3.927 -2.343 -3.981 1.00 0.00 C ATOM 733 O TYR A 52 4.224 -1.369 -4.671 1.00 0.00 O ATOM 734 CB TYR A 52 3.389 -4.482 -5.138 1.00 0.00 C ATOM 735 CG TYR A 52 4.557 -4.132 -6.062 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.315 -3.750 -7.366 1.00 0.00 C ATOM 737 CD2 TYR A 52 5.853 -4.199 -5.592 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.414 -3.420 -8.235 1.00 0.00 C ATOM 739 CE2 TYR A 52 6.952 -3.869 -6.461 1.00 0.00 C ATOM 740 CZ TYR A 52 6.679 -3.496 -7.740 1.00 0.00 C ATOM 741 OH TYR A 52 7.717 -3.184 -8.561 1.00 0.00 O ATOM 0 H TYR A 52 2.358 -1.928 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 52 2.246 -3.565 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.727 -5.212 -4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.605 -4.961 -5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.301 -3.699 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.043 -4.499 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.238 -3.119 -9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.971 -3.917 -6.105 1.00 0.00 H new ATOM 0 HH TYR A 52 8.561 -3.282 -8.073 1.00 0.00 H new ATOM 751 N ILE A 53 4.529 -2.671 -2.847 1.00 0.00 N ATOM 752 CA ILE A 53 5.624 -1.872 -2.322 1.00 0.00 C ATOM 753 C ILE A 53 6.822 -1.973 -3.268 1.00 0.00 C ATOM 754 O ILE A 53 7.350 -3.061 -3.493 1.00 0.00 O ATOM 755 CB ILE A 53 5.941 -2.278 -0.881 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.737 -2.038 0.033 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.196 -1.565 -0.375 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.721 -3.039 1.190 1.00 0.00 C ATOM 0 H ILE A 53 4.279 -3.479 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 53 5.341 -0.820 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 53 6.150 -3.348 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.771 -1.022 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.815 -2.126 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.399 -1.871 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.044 -1.829 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.040 -0.487 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.856 -2.847 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.663 -4.053 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.633 -2.931 1.777 1.00 0.00 H new ATOM 770 N ALA A 54 7.217 -0.824 -3.796 1.00 0.00 N ATOM 771 CA ALA A 54 8.344 -0.770 -4.712 1.00 0.00 C ATOM 772 C ALA A 54 9.606 -0.385 -3.939 1.00 0.00 C ATOM 773 O ALA A 54 10.622 -1.073 -4.020 1.00 0.00 O ATOM 774 CB ALA A 54 8.034 0.209 -5.846 1.00 0.00 C ATOM 0 H ALA A 54 6.777 0.077 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 54 8.519 -1.747 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.879 0.249 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.146 -0.125 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.856 1.201 -5.431 1.00 0.00 H new ATOM 780 N LYS A 55 9.501 0.713 -3.205 1.00 0.00 N ATOM 781 CA LYS A 55 10.623 1.198 -2.418 1.00 0.00 C ATOM 782 C LYS A 55 10.134 1.563 -1.015 1.00 0.00 C ATOM 783 O LYS A 55 9.033 2.088 -0.853 1.00 0.00 O ATOM 784 CB LYS A 55 11.329 2.345 -3.141 1.00 0.00 C ATOM 785 CG LYS A 55 12.178 3.167 -2.169 1.00 0.00 C ATOM 786 CD LYS A 55 13.485 2.445 -1.838 1.00 0.00 C ATOM 787 CE LYS A 55 14.371 3.303 -0.931 1.00 0.00 C ATOM 788 NZ LYS A 55 15.405 4.002 -1.726 1.00 0.00 N ATOM 0 H LYS A 55 8.656 1.281 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 55 11.374 0.416 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.962 1.945 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.590 2.989 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.397 4.141 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.616 3.348 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.267 1.497 -1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.019 2.212 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.759 4.031 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.846 2.675 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.997 4.579 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.000 3.302 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.946 4.617 -2.428 1.00 0.00 H new ATOM 802 N ILE A 56 10.976 1.271 -0.035 1.00 0.00 N ATOM 803 CA ILE A 56 10.645 1.563 1.350 1.00 0.00 C ATOM 804 C ILE A 56 11.661 2.558 1.915 1.00 0.00 C ATOM 805 O ILE A 56 12.805 2.198 2.181 1.00 0.00 O ATOM 806 CB ILE A 56 10.537 0.269 2.158 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.316 -0.548 1.726 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.528 0.561 3.661 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.858 -1.483 2.847 1.00 0.00 C ATOM 0 H ILE A 56 11.888 0.835 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 56 9.665 2.036 1.416 1.00 0.00 H new ATOM 0 HB ILE A 56 11.419 -0.337 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.502 0.124 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.560 -1.131 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.450 -0.376 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.451 1.070 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.676 1.196 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.990 -2.052 2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.666 -2.169 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.592 -0.895 3.725 1.00 0.00 H new ATOM 821 N LEU A 57 11.204 3.791 2.080 1.00 0.00 N ATOM 822 CA LEU A 57 12.058 4.841 2.608 1.00 0.00 C ATOM 823 C LEU A 57 12.913 4.274 3.743 1.00 0.00 C ATOM 824 O LEU A 57 12.516 3.314 4.403 1.00 0.00 O ATOM 825 CB LEU A 57 11.224 6.057 3.014 1.00 0.00 C ATOM 826 CG LEU A 57 11.190 7.213 2.011 1.00 0.00 C ATOM 827 CD1 LEU A 57 10.087 7.004 0.971 1.00 0.00 C ATOM 828 CD2 LEU A 57 11.056 8.557 2.728 1.00 0.00 C ATOM 0 H LEU A 57 10.253 4.086 1.857 1.00 0.00 H new ATOM 0 HA LEU A 57 12.744 5.197 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.201 5.727 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.607 6.436 3.962 1.00 0.00 H new ATOM 0 HG LEU A 57 12.139 7.228 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.084 7.839 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.269 6.076 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.121 6.948 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.034 9.361 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.133 8.570 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.905 8.699 3.396 1.00 0.00 H new ATOM 840 N PRO A 58 14.099 4.909 3.943 1.00 0.00 N ATOM 841 CA PRO A 58 15.012 4.478 4.988 1.00 0.00 C ATOM 842 C PRO A 58 14.510 4.910 6.366 1.00 0.00 C ATOM 843 O PRO A 58 13.995 6.015 6.525 1.00 0.00 O ATOM 844 CB PRO A 58 16.351 5.098 4.621 1.00 0.00 C ATOM 845 CG PRO A 58 16.036 6.225 3.650 1.00 0.00 C ATOM 846 CD PRO A 58 14.600 6.049 3.181 1.00 0.00 C ATOM 0 HA PRO A 58 15.096 3.393 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.862 5.477 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.010 4.361 4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.163 7.193 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.720 6.201 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.008 6.944 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.554 5.860 2.109 1.00 0.00 H new ATOM 854 N GLY A 59 14.679 4.015 7.329 1.00 0.00 N ATOM 855 CA GLY A 59 14.250 4.290 8.690 1.00 0.00 C ATOM 856 C GLY A 59 12.937 5.075 8.702 1.00 0.00 C ATOM 857 O GLY A 59 12.827 6.097 9.377 1.00 0.00 O ATOM 0 H GLY A 59 15.107 3.099 7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.123 3.353 9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.022 4.857 9.211 1.00 0.00 H new ATOM 861 N GLY A 60 11.973 4.566 7.948 1.00 0.00 N ATOM 862 CA GLY A 60 10.672 5.207 7.864 1.00 0.00 C ATOM 863 C GLY A 60 9.666 4.532 8.799 1.00 0.00 C ATOM 864 O GLY A 60 10.032 3.653 9.579 1.00 0.00 O ATOM 0 H GLY A 60 12.067 3.717 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.765 6.261 8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.307 5.163 6.838 1.00 0.00 H new ATOM 868 N SER A 61 8.420 4.969 8.692 1.00 0.00 N ATOM 869 CA SER A 61 7.360 4.418 9.519 1.00 0.00 C ATOM 870 C SER A 61 6.984 3.019 9.025 1.00 0.00 C ATOM 871 O SER A 61 6.680 2.135 9.824 1.00 0.00 O ATOM 872 CB SER A 61 6.131 5.330 9.519 1.00 0.00 C ATOM 873 OG SER A 61 6.317 6.477 10.344 1.00 0.00 O ATOM 0 H SER A 61 8.121 5.698 8.045 1.00 0.00 H new ATOM 0 HA SER A 61 7.726 4.348 10.543 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.916 5.648 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.264 4.769 9.868 1.00 0.00 H new ATOM 0 HG SER A 61 5.511 7.034 10.316 1.00 0.00 H new ATOM 879 N ALA A 62 7.017 2.864 7.709 1.00 0.00 N ATOM 880 CA ALA A 62 6.683 1.588 7.099 1.00 0.00 C ATOM 881 C ALA A 62 7.812 0.590 7.363 1.00 0.00 C ATOM 882 O ALA A 62 7.558 -0.571 7.682 1.00 0.00 O ATOM 883 CB ALA A 62 6.421 1.789 5.605 1.00 0.00 C ATOM 0 H ALA A 62 7.270 3.600 7.049 1.00 0.00 H new ATOM 0 HA ALA A 62 5.773 1.180 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.171 0.832 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.591 2.483 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.314 2.195 5.130 1.00 0.00 H new ATOM 889 N GLU A 63 9.036 1.079 7.220 1.00 0.00 N ATOM 890 CA GLU A 63 10.205 0.244 7.440 1.00 0.00 C ATOM 891 C GLU A 63 10.343 -0.097 8.925 1.00 0.00 C ATOM 892 O GLU A 63 11.008 -1.068 9.283 1.00 0.00 O ATOM 893 CB GLU A 63 11.470 0.923 6.914 1.00 0.00 C ATOM 894 CG GLU A 63 12.637 -0.064 6.852 1.00 0.00 C ATOM 895 CD GLU A 63 12.502 -0.999 5.648 1.00 0.00 C ATOM 896 OE1 GLU A 63 11.666 -1.924 5.738 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.238 -0.767 4.664 1.00 0.00 O ATOM 0 H GLU A 63 9.243 2.042 6.955 1.00 0.00 H new ATOM 0 HA GLU A 63 10.073 -0.685 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.282 1.332 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.732 1.761 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.578 0.483 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.671 -0.650 7.770 1.00 0.00 H new ATOM 904 N GLN A 64 9.703 0.721 9.748 1.00 0.00 N ATOM 905 CA GLN A 64 9.746 0.518 11.187 1.00 0.00 C ATOM 906 C GLN A 64 9.055 -0.796 11.559 1.00 0.00 C ATOM 907 O GLN A 64 9.641 -1.641 12.234 1.00 0.00 O ATOM 908 CB GLN A 64 9.114 1.699 11.926 1.00 0.00 C ATOM 909 CG GLN A 64 10.187 2.618 12.510 1.00 0.00 C ATOM 910 CD GLN A 64 9.912 2.913 13.986 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.842 2.026 14.821 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.760 4.205 14.261 1.00 0.00 N ATOM 0 H GLN A 64 9.152 1.525 9.447 1.00 0.00 H new ATOM 0 HA GLN A 64 10.790 0.456 11.495 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.480 2.263 11.242 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.471 1.330 12.726 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.167 2.152 12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.216 3.552 11.948 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.831 4.897 13.515 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.573 4.504 15.218 1.00 0.00 H new ATOM 921 N THR A 65 7.819 -0.927 11.101 1.00 0.00 N ATOM 922 CA THR A 65 7.042 -2.123 11.378 1.00 0.00 C ATOM 923 C THR A 65 7.933 -3.365 11.309 1.00 0.00 C ATOM 924 O THR A 65 7.855 -4.239 12.172 1.00 0.00 O ATOM 925 CB THR A 65 5.868 -2.161 10.397 1.00 0.00 C ATOM 926 OG1 THR A 65 6.487 -2.208 9.115 1.00 0.00 O ATOM 927 CG2 THR A 65 5.076 -0.853 10.382 1.00 0.00 C ATOM 0 H THR A 65 7.336 -0.225 10.540 1.00 0.00 H new ATOM 0 HA THR A 65 6.638 -2.108 12.390 1.00 0.00 H new ATOM 0 HB THR A 65 5.203 -2.984 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.748 -1.303 8.845 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.255 -0.933 9.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.676 -0.659 11.377 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.732 -0.034 10.088 1.00 0.00 H new ATOM 935 N GLY A 66 8.757 -3.405 10.273 1.00 0.00 N ATOM 936 CA GLY A 66 9.662 -4.525 10.080 1.00 0.00 C ATOM 937 C GLY A 66 8.997 -5.632 9.258 1.00 0.00 C ATOM 938 O GLY A 66 9.634 -6.244 8.403 1.00 0.00 O ATOM 0 H GLY A 66 8.817 -2.680 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.565 -4.184 9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.969 -4.920 11.048 1.00 0.00 H new ATOM 942 N LYS A 67 7.723 -5.855 9.547 1.00 0.00 N ATOM 943 CA LYS A 67 6.964 -6.876 8.845 1.00 0.00 C ATOM 944 C LYS A 67 6.778 -6.455 7.386 1.00 0.00 C ATOM 945 O LYS A 67 6.435 -7.277 6.538 1.00 0.00 O ATOM 946 CB LYS A 67 5.651 -7.163 9.575 1.00 0.00 C ATOM 947 CG LYS A 67 5.515 -8.654 9.893 1.00 0.00 C ATOM 948 CD LYS A 67 4.067 -9.120 9.728 1.00 0.00 C ATOM 949 CE LYS A 67 3.610 -9.928 10.945 1.00 0.00 C ATOM 950 NZ LYS A 67 3.400 -9.039 12.108 1.00 0.00 N ATOM 0 H LYS A 67 7.197 -5.346 10.258 1.00 0.00 H new ATOM 0 HA LYS A 67 7.510 -7.819 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.610 -6.585 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.811 -6.841 8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.164 -9.231 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.848 -8.844 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.416 -8.256 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.977 -9.728 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.685 -10.456 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.356 -10.684 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.963 -9.578 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.315 -8.659 12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.774 -8.254 11.836 1.00 0.00 H new ATOM 964 N LEU A 68 7.014 -5.175 7.138 1.00 0.00 N ATOM 965 CA LEU A 68 6.876 -4.635 5.796 1.00 0.00 C ATOM 966 C LEU A 68 8.219 -4.735 5.071 1.00 0.00 C ATOM 967 O LEU A 68 9.270 -4.508 5.669 1.00 0.00 O ATOM 968 CB LEU A 68 6.308 -3.214 5.846 1.00 0.00 C ATOM 969 CG LEU A 68 4.800 -3.103 6.077 1.00 0.00 C ATOM 970 CD1 LEU A 68 4.034 -3.200 4.756 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.323 -4.141 7.094 1.00 0.00 C ATOM 0 H LEU A 68 7.300 -4.496 7.844 1.00 0.00 H new ATOM 0 HA LEU A 68 6.158 -5.220 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.818 -2.668 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.550 -2.714 4.908 1.00 0.00 H new ATOM 0 HG LEU A 68 4.591 -2.120 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.964 -3.118 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.346 -2.392 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.245 -4.159 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.248 -4.040 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.547 -5.142 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.834 -3.982 8.043 1.00 0.00 H new ATOM 983 N MET A 69 8.141 -5.074 3.792 1.00 0.00 N ATOM 984 CA MET A 69 9.337 -5.207 2.978 1.00 0.00 C ATOM 985 C MET A 69 9.010 -5.052 1.492 1.00 0.00 C ATOM 986 O MET A 69 7.875 -5.277 1.076 1.00 0.00 O ATOM 987 CB MET A 69 9.970 -6.580 3.221 1.00 0.00 C ATOM 988 CG MET A 69 10.993 -6.519 4.357 1.00 0.00 C ATOM 989 SD MET A 69 12.417 -7.515 3.950 1.00 0.00 S ATOM 990 CE MET A 69 13.621 -6.230 3.660 1.00 0.00 C ATOM 0 H MET A 69 7.267 -5.261 3.300 1.00 0.00 H new ATOM 0 HA MET A 69 10.035 -4.419 3.261 1.00 0.00 H new ATOM 0 HB2 MET A 69 9.193 -7.305 3.465 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.455 -6.928 2.309 1.00 0.00 H new ATOM 0 HG2 MET A 69 11.298 -5.487 4.528 1.00 0.00 H new ATOM 0 HG3 MET A 69 10.542 -6.876 5.283 1.00 0.00 H new ATOM 0 HE1 MET A 69 14.577 -6.681 3.392 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.281 -5.590 2.846 1.00 0.00 H new ATOM 0 HE3 MET A 69 13.742 -5.634 4.564 1.00 0.00 H new ATOM 1000 N GLU A 70 10.025 -4.666 0.733 1.00 0.00 N ATOM 1001 CA GLU A 70 9.860 -4.478 -0.698 1.00 0.00 C ATOM 1002 C GLU A 70 9.483 -5.800 -1.368 1.00 0.00 C ATOM 1003 O GLU A 70 9.854 -6.871 -0.890 1.00 0.00 O ATOM 1004 CB GLU A 70 11.126 -3.888 -1.323 1.00 0.00 C ATOM 1005 CG GLU A 70 11.723 -2.800 -0.429 1.00 0.00 C ATOM 1006 CD GLU A 70 12.932 -3.330 0.345 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.855 -3.843 -0.324 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.906 -3.209 1.590 1.00 0.00 O ATOM 0 H GLU A 70 10.965 -4.478 1.082 1.00 0.00 H new ATOM 0 HA GLU A 70 9.049 -3.768 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.860 -4.678 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.892 -3.471 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.022 -1.947 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.967 -2.443 0.270 1.00 0.00 H new ATOM 1015 N GLY A 71 8.748 -5.683 -2.465 1.00 0.00 N ATOM 1016 CA GLY A 71 8.317 -6.857 -3.205 1.00 0.00 C ATOM 1017 C GLY A 71 6.962 -7.356 -2.700 1.00 0.00 C ATOM 1018 O GLY A 71 6.231 -8.025 -3.429 1.00 0.00 O ATOM 0 H GLY A 71 8.440 -4.794 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.248 -6.617 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.060 -7.648 -3.105 1.00 0.00 H new ATOM 1022 N MET A 72 6.668 -7.012 -1.454 1.00 0.00 N ATOM 1023 CA MET A 72 5.413 -7.417 -0.842 1.00 0.00 C ATOM 1024 C MET A 72 4.219 -6.846 -1.611 1.00 0.00 C ATOM 1025 O MET A 72 4.099 -5.632 -1.765 1.00 0.00 O ATOM 1026 CB MET A 72 5.370 -6.927 0.606 1.00 0.00 C ATOM 1027 CG MET A 72 6.119 -7.888 1.532 1.00 0.00 C ATOM 1028 SD MET A 72 4.993 -9.113 2.179 1.00 0.00 S ATOM 1029 CE MET A 72 5.162 -8.796 3.928 1.00 0.00 C ATOM 0 H MET A 72 7.277 -6.458 -0.852 1.00 0.00 H new ATOM 0 HA MET A 72 5.351 -8.505 -0.868 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.814 -5.934 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.334 -6.835 0.932 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.927 -8.376 0.987 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.577 -7.334 2.351 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.482 -9.443 4.482 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.188 -8.998 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.920 -7.753 4.134 1.00 0.00 H new ATOM 1039 N GLN A 73 3.366 -7.750 -2.071 1.00 0.00 N ATOM 1040 CA GLN A 73 2.186 -7.351 -2.819 1.00 0.00 C ATOM 1041 C GLN A 73 1.177 -6.669 -1.894 1.00 0.00 C ATOM 1042 O GLN A 73 0.833 -7.205 -0.842 1.00 0.00 O ATOM 1043 CB GLN A 73 1.556 -8.552 -3.528 1.00 0.00 C ATOM 1044 CG GLN A 73 0.281 -8.144 -4.269 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.747 -9.278 -4.258 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.484 -10.384 -3.816 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.929 -8.942 -4.767 1.00 0.00 N ATOM 0 H GLN A 73 3.469 -8.756 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 73 2.488 -6.636 -3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.270 -8.978 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.325 -9.329 -2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.147 -7.256 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.523 -7.878 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.082 -7.997 -5.120 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.682 -9.629 -4.804 1.00 0.00 H new ATOM 1056 N VAL A 74 0.732 -5.496 -2.321 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.231 -4.734 -1.544 1.00 0.00 C ATOM 1058 C VAL A 74 -1.646 -5.062 -2.028 1.00 0.00 C ATOM 1059 O VAL A 74 -2.030 -4.682 -3.133 1.00 0.00 O ATOM 1060 CB VAL A 74 0.096 -3.241 -1.622 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.043 -2.399 -1.043 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.418 -2.933 -0.918 1.00 0.00 C ATOM 0 H VAL A 74 1.020 -5.055 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.175 -5.011 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 74 0.206 -2.976 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.785 -1.342 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.957 -2.586 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.200 -2.668 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.627 -1.866 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.347 -3.221 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.223 -3.493 -1.395 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.379 -5.764 -1.178 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.742 -6.148 -1.505 1.00 0.00 C ATOM 1074 C LEU A 75 -4.639 -4.910 -1.465 1.00 0.00 C ATOM 1075 O LEU A 75 -5.368 -4.635 -2.417 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.215 -7.279 -0.591 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.349 -8.541 -0.583 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.611 -9.378 0.671 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.549 -9.351 -1.865 1.00 0.00 C ATOM 0 H LEU A 75 -2.055 -6.077 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.792 -6.547 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.274 -6.896 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.227 -7.558 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.303 -8.237 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.983 -10.269 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.377 -8.788 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.660 -9.674 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.922 -10.242 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.595 -9.646 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.272 -8.743 -2.726 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.558 -4.195 -0.352 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.354 -2.992 -0.174 1.00 0.00 C ATOM 1093 C GLU A 76 -4.572 -1.953 0.632 1.00 0.00 C ATOM 1094 O GLU A 76 -3.751 -2.307 1.475 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.691 -3.313 0.494 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.765 -3.628 -0.550 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.657 -4.781 -0.089 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.379 -4.575 0.912 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -8.599 -5.842 -0.747 1.00 0.00 O ATOM 0 H GLU A 76 -3.953 -4.426 0.436 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.569 -2.573 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.571 -4.163 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.009 -2.468 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.374 -2.742 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.292 -3.886 -1.497 1.00 0.00 H new ATOM 1106 N TRP A 77 -4.858 -0.691 0.346 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.193 0.402 1.034 1.00 0.00 C ATOM 1108 C TRP A 77 -5.267 1.269 1.694 1.00 0.00 C ATOM 1109 O TRP A 77 -6.266 1.612 1.064 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.296 1.188 0.077 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.687 2.451 0.689 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.043 3.725 0.476 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.595 2.510 1.631 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.263 4.598 1.207 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.355 3.835 1.932 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.835 1.479 2.209 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.356 4.250 2.820 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.160 1.910 3.094 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.414 3.240 3.408 1.00 0.00 C ATOM 0 H TRP A 77 -5.542 -0.401 -0.353 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.528 0.021 1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.491 0.538 -0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.877 1.467 -0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -3.841 4.031 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.339 5.615 1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.005 0.436 1.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.188 5.294 3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.773 1.157 3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.202 3.493 4.102 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.025 1.597 2.955 1.00 0.00 N ATOM 1131 CA ASN A 78 -5.959 2.417 3.707 1.00 0.00 C ATOM 1132 C ASN A 78 -7.386 1.931 3.442 1.00 0.00 C ATOM 1133 O ASN A 78 -8.334 2.712 3.506 1.00 0.00 O ATOM 1134 CB ASN A 78 -5.873 3.885 3.279 1.00 0.00 C ATOM 1135 CG ASN A 78 -6.405 4.072 1.857 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -7.479 3.614 1.502 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.596 4.772 1.064 1.00 0.00 N ATOM 0 H ASN A 78 -4.196 1.310 3.474 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.705 2.334 4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.446 4.503 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -4.838 4.223 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.862 4.953 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.710 5.127 1.425 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.493 0.643 3.150 1.00 0.00 N ATOM 1145 CA GLY A 79 -8.788 0.044 2.876 1.00 0.00 C ATOM 1146 C GLY A 79 -9.138 0.152 1.390 1.00 0.00 C ATOM 1147 O GLY A 79 -9.772 -0.742 0.831 1.00 0.00 O ATOM 0 H GLY A 79 -6.705 -0.002 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.779 -1.004 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.555 0.539 3.471 1.00 0.00 H new ATOM 1151 N ILE A 80 -8.709 1.253 0.792 1.00 0.00 N ATOM 1152 CA ILE A 80 -8.970 1.490 -0.618 1.00 0.00 C ATOM 1153 C ILE A 80 -8.226 0.444 -1.452 1.00 0.00 C ATOM 1154 O ILE A 80 -7.007 0.312 -1.346 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.625 2.933 -0.992 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.573 3.918 -0.306 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.608 3.116 -2.511 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -8.854 5.225 0.034 1.00 0.00 C ATOM 0 H ILE A 80 -8.182 1.992 1.258 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.032 1.375 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.620 3.149 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.422 4.125 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.971 3.471 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.360 4.150 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.861 2.453 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.590 2.875 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.551 5.908 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.020 5.018 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.478 5.682 -0.881 1.00 0.00 H new ATOM 1170 N PRO A 81 -9.011 -0.293 -2.283 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.440 -1.323 -3.134 1.00 0.00 C ATOM 1172 C PRO A 81 -7.701 -0.705 -4.323 1.00 0.00 C ATOM 1173 O PRO A 81 -8.321 -0.329 -5.317 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.618 -2.186 -3.552 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.860 -1.345 -3.303 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.457 -0.165 -2.434 1.00 0.00 C ATOM 0 HA PRO A 81 -7.687 -1.921 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.542 -2.469 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.650 -3.110 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.282 -0.998 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.630 -1.938 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.724 0.782 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.960 -0.195 -1.468 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.387 -0.616 -4.181 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.557 -0.050 -5.231 1.00 0.00 C ATOM 1186 C LEU A 82 -5.263 -1.125 -6.279 1.00 0.00 C ATOM 1187 O LEU A 82 -4.490 -0.896 -7.207 1.00 0.00 O ATOM 1188 CB LEU A 82 -4.301 0.589 -4.635 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.726 -0.095 -3.393 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -3.672 -1.613 -3.577 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -2.358 0.487 -3.030 1.00 0.00 C ATOM 0 H LEU A 82 -5.876 -0.926 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.085 0.756 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.529 0.611 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.529 1.625 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.394 0.104 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.259 -2.074 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.678 -1.994 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.040 -1.854 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.972 -0.017 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.668 0.340 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.459 1.553 -2.826 1.00 0.00 H new ATOM 1203 N THR A 83 -5.896 -2.274 -6.095 1.00 0.00 N ATOM 1204 CA THR A 83 -5.712 -3.385 -7.012 1.00 0.00 C ATOM 1205 C THR A 83 -6.525 -3.163 -8.289 1.00 0.00 C ATOM 1206 O THR A 83 -7.611 -2.587 -8.245 1.00 0.00 O ATOM 1207 CB THR A 83 -6.080 -4.674 -6.275 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.306 -4.623 -5.080 1.00 0.00 O ATOM 1209 CG2 THR A 83 -5.574 -5.926 -6.994 1.00 0.00 C ATOM 0 H THR A 83 -6.537 -2.459 -5.324 1.00 0.00 H new ATOM 0 HA THR A 83 -4.674 -3.463 -7.334 1.00 0.00 H new ATOM 0 HB THR A 83 -7.163 -4.732 -6.165 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.900 -4.681 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.862 -6.812 -6.428 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.011 -5.974 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.488 -5.885 -7.075 1.00 0.00 H new ATOM 1217 N SER A 84 -5.967 -3.629 -9.397 1.00 0.00 N ATOM 1218 CA SER A 84 -6.626 -3.488 -10.684 1.00 0.00 C ATOM 1219 C SER A 84 -6.757 -2.008 -11.046 1.00 0.00 C ATOM 1220 O SER A 84 -7.708 -1.610 -11.716 1.00 0.00 O ATOM 1221 CB SER A 84 -8.004 -4.155 -10.673 1.00 0.00 C ATOM 1222 OG SER A 84 -8.527 -4.320 -11.988 1.00 0.00 O ATOM 0 H SER A 84 -5.065 -4.105 -9.430 1.00 0.00 H new ATOM 0 HA SER A 84 -6.016 -3.987 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.932 -5.128 -10.187 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.694 -3.553 -10.081 1.00 0.00 H new ATOM 0 HG SER A 84 -8.552 -3.452 -12.442 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.785 -1.232 -10.586 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.778 0.196 -10.854 1.00 0.00 C ATOM 1230 C LYS A 85 -4.578 0.540 -11.737 1.00 0.00 C ATOM 1231 O LYS A 85 -4.090 -0.306 -12.484 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.826 0.986 -9.544 1.00 0.00 C ATOM 1233 CG LYS A 85 -6.928 0.458 -8.625 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.148 1.381 -8.646 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.520 1.832 -7.233 1.00 0.00 C ATOM 1236 NZ LYS A 85 -9.741 1.137 -6.770 1.00 0.00 N ATOM 0 H LYS A 85 -4.998 -1.566 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.672 0.485 -11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.863 0.918 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.000 2.041 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.220 -0.544 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.548 0.374 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.938 2.253 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.993 0.863 -9.100 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.696 1.625 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.681 2.910 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.404 1.831 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.190 0.652 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.488 0.439 -6.042 1.00 0.00 H new ATOM 1250 N THR A 86 -4.136 1.784 -11.622 1.00 0.00 N ATOM 1251 CA THR A 86 -3.001 2.251 -12.401 1.00 0.00 C ATOM 1252 C THR A 86 -1.994 2.966 -11.499 1.00 0.00 C ATOM 1253 O THR A 86 -2.370 3.563 -10.492 1.00 0.00 O ATOM 1254 CB THR A 86 -3.535 3.131 -13.533 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.389 4.063 -12.876 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.468 2.369 -14.476 1.00 0.00 C ATOM 0 H THR A 86 -4.543 2.483 -11.001 1.00 0.00 H new ATOM 0 HA THR A 86 -2.457 1.418 -12.846 1.00 0.00 H new ATOM 0 HB THR A 86 -2.699 3.538 -14.101 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.161 4.973 -13.161 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.819 3.039 -15.261 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.929 1.535 -14.925 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.322 1.989 -13.915 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.731 2.881 -11.893 1.00 0.00 N ATOM 1265 CA TYR A 87 0.334 3.513 -11.132 1.00 0.00 C ATOM 1266 C TYR A 87 -0.103 4.883 -10.612 1.00 0.00 C ATOM 1267 O TYR A 87 0.153 5.222 -9.457 1.00 0.00 O ATOM 1268 CB TYR A 87 1.497 3.698 -12.110 1.00 0.00 C ATOM 1269 CG TYR A 87 2.645 4.545 -11.557 1.00 0.00 C ATOM 1270 CD1 TYR A 87 3.513 4.007 -10.628 1.00 0.00 C ATOM 1271 CD2 TYR A 87 2.813 5.846 -11.987 1.00 0.00 C ATOM 1272 CE1 TYR A 87 4.594 4.804 -10.108 1.00 0.00 C ATOM 1273 CE2 TYR A 87 3.893 6.642 -11.465 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.731 6.081 -10.552 1.00 0.00 C ATOM 1275 OH TYR A 87 5.752 6.833 -10.060 1.00 0.00 O ATOM 0 H TYR A 87 -0.422 2.384 -12.729 1.00 0.00 H new ATOM 0 HA TYR A 87 0.605 2.903 -10.270 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.884 2.718 -12.389 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.122 4.163 -13.021 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.381 2.989 -10.291 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.135 6.266 -12.715 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.281 4.396 -9.381 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.035 7.662 -11.791 1.00 0.00 H new ATOM 0 HH TYR A 87 5.728 7.724 -10.467 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.753 5.635 -11.488 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.228 6.960 -11.131 1.00 0.00 C ATOM 1287 C GLU A 88 -2.305 6.865 -10.048 1.00 0.00 C ATOM 1288 O GLU A 88 -2.089 7.288 -8.914 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.751 7.705 -12.360 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.689 8.655 -12.919 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.229 10.082 -13.021 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.205 10.267 -13.780 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.653 10.956 -12.339 1.00 0.00 O ATOM 0 H GLU A 88 -0.962 5.351 -12.445 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.389 7.529 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.043 6.988 -13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.645 8.269 -12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.191 8.641 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.371 8.312 -13.903 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.442 6.306 -10.437 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.553 6.150 -9.514 1.00 0.00 C ATOM 1302 C GLU A 89 -4.039 5.762 -8.126 1.00 0.00 C ATOM 1303 O GLU A 89 -4.159 6.536 -7.177 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.557 5.120 -10.034 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.404 5.704 -11.167 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.873 5.305 -11.015 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.483 5.752 -10.020 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.353 4.560 -11.898 1.00 0.00 O ATOM 0 H GLU A 89 -3.617 5.956 -11.379 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.071 7.106 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.026 4.237 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.206 4.796 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.317 6.791 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.026 5.353 -12.127 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.478 4.564 -8.051 1.00 0.00 N ATOM 1316 CA VAL A 90 -2.946 4.064 -6.795 1.00 0.00 C ATOM 1317 C VAL A 90 -2.245 5.204 -6.054 1.00 0.00 C ATOM 1318 O VAL A 90 -2.663 5.588 -4.963 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.029 2.867 -7.055 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.321 2.430 -5.771 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.807 1.705 -7.675 1.00 0.00 C ATOM 0 H VAL A 90 -3.380 3.925 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.752 3.706 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.266 3.178 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.676 1.578 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.719 3.255 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.063 2.146 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.132 0.867 -7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.601 1.395 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.243 2.023 -8.622 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.191 5.711 -6.675 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.428 6.799 -6.086 1.00 0.00 C ATOM 1333 C GLN A 91 -1.370 7.836 -5.471 1.00 0.00 C ATOM 1334 O GLN A 91 -1.365 8.040 -4.258 1.00 0.00 O ATOM 1335 CB GLN A 91 0.495 7.444 -7.123 1.00 0.00 C ATOM 1336 CG GLN A 91 1.942 7.471 -6.626 1.00 0.00 C ATOM 1337 CD GLN A 91 2.324 8.865 -6.122 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.882 9.880 -6.635 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.165 8.856 -5.092 1.00 0.00 N ATOM 0 H GLN A 91 -0.847 5.389 -7.580 1.00 0.00 H new ATOM 0 HA GLN A 91 0.198 6.391 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.439 6.890 -8.060 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.159 8.460 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.068 6.743 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.613 7.176 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.496 7.969 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.479 9.736 -4.682 1.00 0.00 H new ATOM 1348 N SER A 92 -2.155 8.462 -6.335 1.00 0.00 N ATOM 1349 CA SER A 92 -3.101 9.473 -5.891 1.00 0.00 C ATOM 1350 C SER A 92 -3.828 8.992 -4.634 1.00 0.00 C ATOM 1351 O SER A 92 -4.001 9.752 -3.683 1.00 0.00 O ATOM 1352 CB SER A 92 -4.108 9.806 -6.993 1.00 0.00 C ATOM 1353 OG SER A 92 -5.127 10.690 -6.535 1.00 0.00 O ATOM 0 H SER A 92 -2.156 8.289 -7.340 1.00 0.00 H new ATOM 0 HA SER A 92 -2.547 10.382 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.586 10.260 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.564 8.886 -7.358 1.00 0.00 H new ATOM 0 HG SER A 92 -5.749 10.880 -7.268 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.236 7.731 -4.671 1.00 0.00 N ATOM 1360 CA ILE A 93 -4.941 7.141 -3.547 1.00 0.00 C ATOM 1361 C ILE A 93 -4.026 7.139 -2.320 1.00 0.00 C ATOM 1362 O ILE A 93 -4.467 7.439 -1.212 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.475 5.755 -3.917 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.752 5.865 -4.752 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.678 4.894 -2.669 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.216 4.487 -5.229 1.00 0.00 C ATOM 0 H ILE A 93 -4.091 7.103 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.817 7.738 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.729 5.255 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.539 6.333 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.574 6.510 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.058 3.915 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.727 4.775 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.394 5.378 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.126 4.594 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.437 4.032 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.417 3.852 -4.366 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.769 6.796 -2.559 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.788 6.752 -1.488 1.00 0.00 C ATOM 1380 C ILE A 94 -1.377 8.179 -1.119 1.00 0.00 C ATOM 1381 O ILE A 94 -1.674 8.649 -0.021 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.611 5.855 -1.876 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.054 4.761 -2.850 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.068 5.274 -0.633 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.328 3.445 -2.564 1.00 0.00 C ATOM 0 H ILE A 94 -2.407 6.546 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.221 6.303 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 94 0.129 6.466 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.131 4.611 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.852 5.077 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.901 4.640 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.439 6.086 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.652 4.681 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.661 2.685 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.747 3.592 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.552 3.119 -1.548 1.00 0.00 H new ATOM 1397 N SER A 95 -0.702 8.828 -2.056 1.00 0.00 N ATOM 1398 CA SER A 95 -0.249 10.192 -1.842 1.00 0.00 C ATOM 1399 C SER A 95 -1.447 11.110 -1.595 1.00 0.00 C ATOM 1400 O SER A 95 -1.930 11.767 -2.515 1.00 0.00 O ATOM 1401 CB SER A 95 0.567 10.693 -3.036 1.00 0.00 C ATOM 1402 OG SER A 95 1.764 11.350 -2.627 1.00 0.00 O ATOM 0 H SER A 95 -0.458 8.435 -2.965 1.00 0.00 H new ATOM 0 HA SER A 95 0.396 10.205 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.818 9.852 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.039 11.379 -3.627 1.00 0.00 H new ATOM 0 HG SER A 95 2.257 11.653 -3.418 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.891 11.125 -0.347 1.00 0.00 N ATOM 1409 CA GLN A 96 -3.025 11.952 0.033 1.00 0.00 C ATOM 1410 C GLN A 96 -3.285 11.837 1.537 1.00 0.00 C ATOM 1411 O GLN A 96 -3.458 12.845 2.219 1.00 0.00 O ATOM 1412 CB GLN A 96 -4.272 11.576 -0.770 1.00 0.00 C ATOM 1413 CG GLN A 96 -5.434 12.518 -0.449 1.00 0.00 C ATOM 1414 CD GLN A 96 -6.704 11.729 -0.121 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -6.663 10.619 0.382 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -7.830 12.364 -0.432 1.00 0.00 N ATOM 0 H GLN A 96 -1.487 10.579 0.414 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.786 12.990 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.049 11.618 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.559 10.549 -0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.169 13.154 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.619 13.176 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.792 13.293 -0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.731 11.922 -0.251 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.304 10.598 2.008 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.540 10.338 3.418 1.00 0.00 C ATOM 1427 C GLN A 97 -2.503 11.069 4.273 1.00 0.00 C ATOM 1428 O GLN A 97 -1.554 11.646 3.746 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.530 8.836 3.708 1.00 0.00 C ATOM 1430 CG GLN A 97 -4.637 8.121 2.931 1.00 0.00 C ATOM 1431 CD GLN A 97 -6.007 8.378 3.563 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -6.375 9.499 3.873 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -6.736 7.279 3.737 1.00 0.00 N ATOM 0 H GLN A 97 -3.160 9.764 1.438 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.528 10.718 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.561 8.416 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.663 8.667 4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.640 8.465 1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.438 7.050 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.366 6.371 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.665 7.344 4.153 1.00 0.00 H new ATOM 1442 N SER A 98 -2.719 11.019 5.580 1.00 0.00 N ATOM 1443 CA SER A 98 -1.815 11.668 6.513 1.00 0.00 C ATOM 1444 C SER A 98 -1.984 11.067 7.910 1.00 0.00 C ATOM 1445 O SER A 98 -3.072 10.621 8.270 1.00 0.00 O ATOM 1446 CB SER A 98 -2.057 13.178 6.554 1.00 0.00 C ATOM 1447 OG SER A 98 -0.854 13.905 6.785 1.00 0.00 O ATOM 0 H SER A 98 -3.507 10.539 6.014 1.00 0.00 H new ATOM 0 HA SER A 98 -0.794 11.499 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.500 13.500 5.611 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.777 13.409 7.340 1.00 0.00 H new ATOM 0 HG SER A 98 -1.050 14.865 6.803 1.00 0.00 H new ATOM 1453 N GLY A 99 -0.890 11.071 8.657 1.00 0.00 N ATOM 1454 CA GLY A 99 -0.903 10.531 10.006 1.00 0.00 C ATOM 1455 C GLY A 99 -0.626 9.026 9.997 1.00 0.00 C ATOM 1456 O GLY A 99 0.491 8.595 10.276 1.00 0.00 O ATOM 0 H GLY A 99 0.011 11.440 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.153 11.039 10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.871 10.724 10.469 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.664 8.269 9.672 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.547 6.821 9.622 1.00 0.00 C ATOM 1462 C GLU A 100 -2.337 6.266 8.436 1.00 0.00 C ATOM 1463 O GLU A 100 -3.344 6.844 8.030 1.00 0.00 O ATOM 1464 CB GLU A 100 -2.012 6.189 10.935 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.457 6.581 11.253 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.545 8.047 11.679 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -3.026 8.352 12.776 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.129 8.832 10.900 1.00 0.00 O ATOM 0 H GLU A 100 -2.589 8.631 9.441 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.496 6.564 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.932 5.104 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.358 6.507 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.084 6.415 10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.844 5.944 12.048 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.851 5.150 7.913 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.499 4.510 6.781 1.00 0.00 C ATOM 1477 C ALA A 101 -2.469 2.992 6.972 1.00 0.00 C ATOM 1478 O ALA A 101 -1.511 2.451 7.522 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.813 4.947 5.485 1.00 0.00 C ATOM 0 H ALA A 101 -1.016 4.673 8.252 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.544 4.814 6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.299 4.467 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.887 6.029 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.763 4.657 5.513 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.531 2.348 6.509 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.638 0.903 6.624 1.00 0.00 C ATOM 1487 C GLU A 102 -3.064 0.228 5.375 1.00 0.00 C ATOM 1488 O GLU A 102 -3.068 0.811 4.293 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.089 0.478 6.857 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.173 -0.624 7.915 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.011 -1.802 7.414 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -5.499 -2.528 6.534 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -7.144 -1.950 7.921 1.00 0.00 O ATOM 0 H GLU A 102 -4.324 2.800 6.054 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.056 0.582 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.677 1.339 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.523 0.124 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.170 -0.968 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.612 -0.223 8.829 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.582 -0.990 5.571 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.005 -1.751 4.475 1.00 0.00 C ATOM 1502 C ILE A 103 -2.257 -3.243 4.707 1.00 0.00 C ATOM 1503 O ILE A 103 -2.355 -3.689 5.848 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.528 -1.398 4.297 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.130 -2.296 3.248 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.213 -1.446 5.636 1.00 0.00 C ATOM 1507 CD1 ILE A 103 -0.368 -1.951 1.843 1.00 0.00 C ATOM 0 H ILE A 103 -2.579 -1.469 6.472 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.488 -1.488 3.534 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.465 -0.374 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.213 -2.181 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.089 -3.341 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.261 -1.191 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.236 -0.732 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.142 -2.450 6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.115 -2.603 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.448 -2.091 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.126 -0.913 1.616 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.356 -3.971 3.605 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.595 -5.403 3.673 1.00 0.00 C ATOM 1521 C CYS A 104 -1.632 -6.097 2.708 1.00 0.00 C ATOM 1522 O CYS A 104 -1.777 -5.986 1.492 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.054 -5.748 3.370 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.514 -7.312 4.201 1.00 0.00 S ATOM 0 H CYS A 104 -2.275 -3.596 2.660 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.410 -5.757 4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.705 -4.942 3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.198 -5.843 2.294 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.756 -7.594 3.938 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.668 -6.799 3.288 1.00 0.00 N ATOM 1531 CA VAL A 105 0.319 -7.512 2.495 1.00 0.00 C ATOM 1532 C VAL A 105 0.197 -9.013 2.765 1.00 0.00 C ATOM 1533 O VAL A 105 -0.096 -9.423 3.886 1.00 0.00 O ATOM 1534 CB VAL A 105 1.718 -6.965 2.786 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.918 -5.596 2.131 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.978 -6.895 4.292 1.00 0.00 C ATOM 0 H VAL A 105 -0.550 -6.889 4.297 1.00 0.00 H new ATOM 0 HA VAL A 105 0.138 -7.357 1.431 1.00 0.00 H new ATOM 0 HB VAL A 105 2.443 -7.654 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.920 -5.229 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.796 -5.688 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.180 -4.895 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.979 -6.503 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.243 -6.239 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.897 -7.893 4.722 1.00 0.00 H new ATOM 1546 N ARG A 106 0.426 -9.791 1.717 1.00 0.00 N ATOM 1547 CA ARG A 106 0.346 -11.237 1.827 1.00 0.00 C ATOM 1548 C ARG A 106 1.692 -11.812 2.269 1.00 0.00 C ATOM 1549 O ARG A 106 2.710 -11.596 1.613 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.057 -11.870 0.493 1.00 0.00 C ATOM 1551 CG ARG A 106 0.105 -13.390 0.536 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.141 -14.006 -0.843 1.00 0.00 C ATOM 1553 NE ARG A 106 -1.592 -14.044 -1.130 1.00 0.00 N ATOM 1554 CZ ARG A 106 -2.159 -14.856 -2.033 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.400 -15.701 -2.743 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -3.484 -14.822 -2.225 1.00 0.00 N ATOM 0 H ARG A 106 0.667 -9.447 0.788 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.415 -11.470 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.092 -11.617 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.556 -11.458 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.109 -13.643 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.594 -13.814 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.374 -13.424 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.271 -15.014 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.199 -13.412 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.391 -15.726 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.831 -16.319 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.061 -14.178 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.916 -15.440 -2.912 1.00 0.00 H new ATOM 1570 N LEU A 107 1.655 -12.534 3.380 1.00 0.00 N ATOM 1571 CA LEU A 107 2.861 -13.141 3.918 1.00 0.00 C ATOM 1572 C LEU A 107 3.610 -13.859 2.793 1.00 0.00 C ATOM 1573 O LEU A 107 4.745 -13.507 2.476 1.00 0.00 O ATOM 1574 CB LEU A 107 2.522 -14.044 5.105 1.00 0.00 C ATOM 1575 CG LEU A 107 1.644 -13.422 6.193 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.469 -14.380 7.372 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.198 -12.066 6.634 1.00 0.00 C ATOM 0 H LEU A 107 0.809 -12.712 3.922 1.00 0.00 H new ATOM 0 HA LEU A 107 3.531 -12.376 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.020 -14.935 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.455 -14.374 5.563 1.00 0.00 H new ATOM 0 HG LEU A 107 0.654 -13.245 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.841 -13.913 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.997 -15.300 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.444 -14.611 7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.556 -11.645 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.205 -12.196 7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.228 -11.390 5.780 1.00 0.00 H new ATOM 1589 N ASP A 108 2.945 -14.853 2.222 1.00 0.00 N ATOM 1590 CA ASP A 108 3.535 -15.622 1.141 1.00 0.00 C ATOM 1591 C ASP A 108 3.597 -14.758 -0.120 1.00 0.00 C ATOM 1592 O ASP A 108 3.084 -13.640 -0.137 1.00 0.00 O ATOM 1593 CB ASP A 108 2.695 -16.861 0.824 1.00 0.00 C ATOM 1594 CG ASP A 108 3.435 -17.974 0.082 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.623 -18.184 0.414 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.800 -18.589 -0.801 1.00 0.00 O ATOM 0 H ASP A 108 2.004 -15.143 2.488 1.00 0.00 H new ATOM 0 HA ASP A 108 4.532 -15.932 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.305 -17.265 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.836 -16.555 0.226 1.00 0.00 H new ATOM 1601 N LEU A 109 4.228 -15.309 -1.147 1.00 0.00 N ATOM 1602 CA LEU A 109 4.363 -14.602 -2.409 1.00 0.00 C ATOM 1603 C LEU A 109 5.367 -13.460 -2.244 1.00 0.00 C ATOM 1604 O LEU A 109 5.813 -13.177 -1.134 1.00 0.00 O ATOM 1605 CB LEU A 109 2.994 -14.149 -2.919 1.00 0.00 C ATOM 1606 CG LEU A 109 2.847 -14.032 -4.437 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.671 -14.873 -4.940 1.00 0.00 C ATOM 1608 CD2 LEU A 109 2.732 -12.568 -4.866 1.00 0.00 C ATOM 0 H LEU A 109 4.651 -16.237 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 109 4.759 -15.266 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.243 -14.850 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.767 -13.179 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 109 3.749 -14.432 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.588 -14.772 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.837 -15.920 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.750 -14.527 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.629 -12.513 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.858 -12.118 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.628 -12.028 -4.559 1.00 0.00 H new ATOM 1620 N ASN A 110 5.692 -12.834 -3.366 1.00 0.00 N ATOM 1621 CA ASN A 110 6.635 -11.729 -3.359 1.00 0.00 C ATOM 1622 C ASN A 110 6.923 -11.301 -4.801 1.00 0.00 C ATOM 1623 O ASN A 110 7.424 -12.093 -5.598 1.00 0.00 O ATOM 1624 CB ASN A 110 7.960 -12.138 -2.714 1.00 0.00 C ATOM 1625 CG ASN A 110 8.349 -11.170 -1.596 1.00 0.00 C ATOM 1626 OD1 ASN A 110 7.538 -10.765 -0.781 1.00 0.00 O ATOM 1627 ND2 ASN A 110 9.633 -10.821 -1.604 1.00 0.00 N ATOM 0 H ASN A 110 5.319 -13.071 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 110 6.193 -10.913 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.876 -13.148 -2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.745 -12.160 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.991 -10.177 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.259 -11.197 -2.316 1.00 0.00 H new ATOM 1634 N MET A 111 6.595 -10.050 -5.090 1.00 0.00 N ATOM 1635 CA MET A 111 6.812 -9.509 -6.420 1.00 0.00 C ATOM 1636 C MET A 111 8.285 -9.159 -6.636 1.00 0.00 C ATOM 1637 O MET A 111 8.934 -8.613 -5.744 1.00 0.00 O ATOM 1638 CB MET A 111 5.956 -8.255 -6.607 1.00 0.00 C ATOM 1639 CG MET A 111 4.494 -8.622 -6.867 1.00 0.00 C ATOM 1640 SD MET A 111 3.882 -7.729 -8.286 1.00 0.00 S ATOM 1641 CE MET A 111 2.231 -7.348 -7.724 1.00 0.00 C ATOM 0 H MET A 111 6.181 -9.396 -4.426 1.00 0.00 H new ATOM 0 HA MET A 111 6.527 -10.266 -7.151 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.025 -7.628 -5.718 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.341 -7.669 -7.441 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.405 -9.695 -7.036 1.00 0.00 H new ATOM 0 HG3 MET A 111 3.890 -8.386 -5.991 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.543 -7.379 -8.569 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.923 -8.080 -6.978 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.218 -6.352 -7.282 1.00 0.00 H new