USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 666 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 76 ASN : amide:sc= -10.7! C(o=-9.8!,f=-18!) USER MOD Set 1.2: A 77 SER OG : rot 108:sc= 0.889 USER MOD Set 2.1: A 46 HIS : no HE2:sc= -0.389 X(o=-0.39,f=-0.46) USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 38 GLN : amide:sc= -0.352 K(o=0.55,f=-2.3!) USER MOD Set 3.2: A 43 SER OG : rot 111:sc= 0.9 USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -0.499 USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 9 MET CE :methyl -141:sc= -11.7! (180deg=-20!) USER MOD Single : A -1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -96:sc= 0.696 USER MOD Single : A 20 SER OG : rot -13:sc= 0.564! USER MOD Single : A 21 CYS SG : rot -118:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 12:sc= 0.827! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0726 USER MOD Single : A 32 THR OG1 : rot -70:sc= -0.342 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 59:sc= -0.466 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 47 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 87:sc= 0.261 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -56:sc= -3.22! USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.5! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 10:sc= -1.55! USER MOD Single : A 69 ASN : amide:sc= -6.62! C(o=-6.6!,f=-17!) USER MOD Single : A 71 SER OG : rot 76:sc= -0.146 USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 0.0755 (180deg=-0.075) USER MOD Single : A 81 GLN : amide:sc= -2.6 X(o=-2.6,f=-3!) USER MOD Single : A 86 THR OG1 : rot 31:sc= 0.611 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 19.197 1.549 6.692 1.00 0.00 N ATOM 82 CA ALA A -1 18.509 0.314 6.205 1.00 0.00 C ATOM 83 C ALA A -1 17.138 0.662 5.603 1.00 0.00 C ATOM 84 O ALA A -1 17.057 1.146 4.492 1.00 0.00 O ATOM 85 CB ALA A -1 18.377 -0.575 7.446 1.00 0.00 C ATOM 0 H1 ALA A -1 20.121 1.295 7.095 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.334 2.206 5.898 1.00 0.00 H new ATOM 0 H3 ALA A -1 18.614 2.006 7.422 1.00 0.00 H new ATOM 0 HA ALA A -1 19.061 -0.190 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.880 -1.507 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A -1 19.368 -0.795 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.789 -0.057 8.204 1.00 0.00 H new ATOM 91 N ALA A 0 16.063 0.427 6.312 1.00 0.00 N ATOM 92 CA ALA A 0 14.717 0.757 5.754 1.00 0.00 C ATOM 93 C ALA A 0 13.741 1.116 6.873 1.00 0.00 C ATOM 94 O ALA A 0 13.617 0.411 7.855 1.00 0.00 O ATOM 95 CB ALA A 0 14.244 -0.510 5.047 1.00 0.00 C ATOM 0 H ALA A 0 16.059 0.023 7.249 1.00 0.00 H new ATOM 0 HA ALA A 0 14.767 1.612 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.259 -0.338 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.948 -0.770 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 0 14.186 -1.328 5.766 1.00 0.00 H new ATOM 101 N ARG A 1 13.036 2.200 6.723 1.00 0.00 N ATOM 102 CA ARG A 1 12.052 2.598 7.767 1.00 0.00 C ATOM 103 C ARG A 1 10.907 3.382 7.125 1.00 0.00 C ATOM 104 O ARG A 1 10.988 3.793 5.985 1.00 0.00 O ATOM 105 CB ARG A 1 12.833 3.477 8.745 1.00 0.00 C ATOM 106 CG ARG A 1 13.372 4.711 8.020 1.00 0.00 C ATOM 107 CD ARG A 1 13.626 5.825 9.037 1.00 0.00 C ATOM 108 NE ARG A 1 14.911 6.446 8.612 1.00 0.00 N ATOM 109 CZ ARG A 1 15.851 6.665 9.490 1.00 0.00 C ATOM 110 NH1 ARG A 1 15.846 7.764 10.192 1.00 0.00 N ATOM 111 NH2 ARG A 1 16.798 5.783 9.665 1.00 0.00 N ATOM 0 H ARG A 1 13.098 2.829 5.922 1.00 0.00 H new ATOM 0 HA ARG A 1 11.609 1.739 8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.188 3.782 9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.657 2.910 9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.295 4.464 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.658 5.046 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.815 6.554 9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.695 5.427 10.050 1.00 0.00 H new ATOM 0 HE ARG A 1 15.056 6.700 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.107 8.453 10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.581 7.934 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.802 4.924 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 1 17.533 5.953 10.351 1.00 0.00 H new ATOM 125 N ILE A 2 9.844 3.599 7.846 1.00 0.00 N ATOM 126 CA ILE A 2 8.708 4.365 7.268 1.00 0.00 C ATOM 127 C ILE A 2 8.531 5.682 8.028 1.00 0.00 C ATOM 128 O ILE A 2 8.263 5.705 9.212 1.00 0.00 O ATOM 129 CB ILE A 2 7.485 3.453 7.419 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.637 2.266 6.452 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.211 4.243 7.081 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.333 1.465 6.371 1.00 0.00 C ATOM 0 H ILE A 2 9.713 3.281 8.806 1.00 0.00 H new ATOM 0 HA ILE A 2 8.867 4.630 6.223 1.00 0.00 H new ATOM 0 HB ILE A 2 7.412 3.088 8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.909 2.630 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.447 1.619 6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.342 3.594 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.118 5.091 7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.269 4.605 6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.461 0.630 5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.078 1.084 7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.531 2.111 6.013 1.00 0.00 H new ATOM 144 N LEU A 3 8.687 6.773 7.339 1.00 0.00 N ATOM 145 CA LEU A 3 8.543 8.104 7.976 1.00 0.00 C ATOM 146 C LEU A 3 7.087 8.566 7.894 1.00 0.00 C ATOM 147 O LEU A 3 6.620 9.352 8.695 1.00 0.00 O ATOM 148 CB LEU A 3 9.476 9.003 7.160 1.00 0.00 C ATOM 149 CG LEU A 3 8.993 9.135 5.708 1.00 0.00 C ATOM 150 CD1 LEU A 3 8.963 10.608 5.321 1.00 0.00 C ATOM 151 CD2 LEU A 3 9.953 8.406 4.765 1.00 0.00 C ATOM 0 H LEU A 3 8.912 6.798 6.344 1.00 0.00 H new ATOM 0 HA LEU A 3 8.799 8.113 9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.528 9.990 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.485 8.592 7.174 1.00 0.00 H new ATOM 0 HG LEU A 3 7.998 8.698 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.621 10.707 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.282 11.144 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.964 11.029 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.601 8.506 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.948 8.842 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.994 7.350 5.033 1.00 0.00 H new ATOM 163 N THR A 4 6.370 8.068 6.931 1.00 0.00 N ATOM 164 CA THR A 4 4.936 8.446 6.776 1.00 0.00 C ATOM 165 C THR A 4 4.145 7.251 6.234 1.00 0.00 C ATOM 166 O THR A 4 4.590 6.553 5.344 1.00 0.00 O ATOM 167 CB THR A 4 4.933 9.600 5.770 1.00 0.00 C ATOM 168 OG1 THR A 4 5.867 10.587 6.181 1.00 0.00 O ATOM 169 CG2 THR A 4 3.535 10.215 5.700 1.00 0.00 C ATOM 0 H THR A 4 6.717 7.408 6.235 1.00 0.00 H new ATOM 0 HA THR A 4 4.475 8.737 7.720 1.00 0.00 H new ATOM 0 HB THR A 4 5.211 9.224 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.867 11.326 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.534 11.036 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.819 9.456 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.253 10.591 6.683 1.00 0.00 H new ATOM 177 N LYS A 5 2.980 7.002 6.768 1.00 0.00 N ATOM 178 CA LYS A 5 2.174 5.850 6.291 1.00 0.00 C ATOM 179 C LYS A 5 0.915 6.347 5.567 1.00 0.00 C ATOM 180 O LYS A 5 0.620 7.526 5.576 1.00 0.00 O ATOM 181 CB LYS A 5 1.801 5.088 7.563 1.00 0.00 C ATOM 182 CG LYS A 5 1.043 6.019 8.513 1.00 0.00 C ATOM 183 CD LYS A 5 1.956 6.418 9.673 1.00 0.00 C ATOM 184 CE LYS A 5 2.275 5.183 10.519 1.00 0.00 C ATOM 185 NZ LYS A 5 1.387 5.295 11.709 1.00 0.00 N ATOM 0 H LYS A 5 2.554 7.550 7.515 1.00 0.00 H new ATOM 0 HA LYS A 5 2.716 5.224 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.184 4.224 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.700 4.709 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.708 6.908 7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.151 5.521 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.877 6.858 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.471 7.177 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.081 4.264 9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.325 5.164 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.547 4.483 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.600 6.176 12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.394 5.304 11.401 1.00 0.00 H new ATOM 199 N PRO A 6 0.212 5.424 4.962 1.00 0.00 N ATOM 200 CA PRO A 6 -1.023 5.762 4.227 1.00 0.00 C ATOM 201 C PRO A 6 -2.222 5.752 5.180 1.00 0.00 C ATOM 202 O PRO A 6 -2.267 4.989 6.126 1.00 0.00 O ATOM 203 CB PRO A 6 -1.129 4.641 3.195 1.00 0.00 C ATOM 204 CG PRO A 6 -0.370 3.480 3.773 1.00 0.00 C ATOM 205 CD PRO A 6 0.495 3.991 4.903 1.00 0.00 C ATOM 0 HA PRO A 6 -1.007 6.753 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.170 4.375 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.705 4.948 2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.060 2.719 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.246 3.010 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.250 3.499 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.551 3.803 4.711 1.00 0.00 H new ATOM 213 N ARG A 7 -3.192 6.591 4.944 1.00 0.00 N ATOM 214 CA ARG A 7 -4.380 6.625 5.844 1.00 0.00 C ATOM 215 C ARG A 7 -5.449 5.649 5.347 1.00 0.00 C ATOM 216 O ARG A 7 -5.359 5.114 4.261 1.00 0.00 O ATOM 217 CB ARG A 7 -4.892 8.064 5.774 1.00 0.00 C ATOM 218 CG ARG A 7 -4.423 8.832 7.011 1.00 0.00 C ATOM 219 CD ARG A 7 -4.360 10.327 6.691 1.00 0.00 C ATOM 220 NE ARG A 7 -2.913 10.673 6.757 1.00 0.00 N ATOM 221 CZ ARG A 7 -2.352 11.321 5.774 1.00 0.00 C ATOM 222 NH1 ARG A 7 -1.881 10.668 4.746 1.00 0.00 N ATOM 223 NH2 ARG A 7 -2.261 12.622 5.819 1.00 0.00 N ATOM 0 H ARG A 7 -3.214 7.253 4.169 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.132 6.331 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.523 8.549 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.981 8.072 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.106 8.656 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.442 8.475 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.772 10.537 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.938 10.909 7.408 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.361 10.403 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.952 9.651 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.442 11.175 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.628 13.131 6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.822 13.129 5.051 1.00 0.00 H new ATOM 237 N SER A 8 -6.460 5.410 6.137 1.00 0.00 N ATOM 238 CA SER A 8 -7.529 4.464 5.710 1.00 0.00 C ATOM 239 C SER A 8 -8.661 5.217 5.013 1.00 0.00 C ATOM 240 O SER A 8 -8.598 6.412 4.808 1.00 0.00 O ATOM 241 CB SER A 8 -8.039 3.824 6.997 1.00 0.00 C ATOM 242 OG SER A 8 -6.966 3.698 7.920 1.00 0.00 O ATOM 0 H SER A 8 -6.592 5.828 7.058 1.00 0.00 H new ATOM 0 HA SER A 8 -7.154 3.723 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.834 4.432 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.467 2.844 6.784 1.00 0.00 H new ATOM 0 HG SER A 8 -7.293 3.288 8.748 1.00 0.00 H new ATOM 248 N MET A 9 -9.695 4.516 4.646 1.00 0.00 N ATOM 249 CA MET A 9 -10.840 5.161 3.961 1.00 0.00 C ATOM 250 C MET A 9 -11.993 4.170 3.853 1.00 0.00 C ATOM 251 O MET A 9 -11.874 3.015 4.215 1.00 0.00 O ATOM 252 CB MET A 9 -10.318 5.499 2.574 1.00 0.00 C ATOM 253 CG MET A 9 -10.675 6.941 2.215 1.00 0.00 C ATOM 254 SD MET A 9 -12.132 6.958 1.141 1.00 0.00 S ATOM 255 CE MET A 9 -11.446 5.927 -0.176 1.00 0.00 C ATOM 0 H MET A 9 -9.794 3.512 4.795 1.00 0.00 H new ATOM 0 HA MET A 9 -11.206 6.040 4.492 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.237 5.365 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.746 4.817 1.840 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.872 7.514 3.121 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.835 7.420 1.712 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.768 6.311 -1.144 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.357 5.944 -0.122 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.799 4.903 -0.057 1.00 0.00 H new ATOM 265 N THR A 10 -13.103 4.605 3.349 1.00 0.00 N ATOM 266 CA THR A 10 -14.264 3.682 3.207 1.00 0.00 C ATOM 267 C THR A 10 -15.154 4.109 2.044 1.00 0.00 C ATOM 268 O THR A 10 -15.740 5.173 2.053 1.00 0.00 O ATOM 269 CB THR A 10 -15.024 3.790 4.525 1.00 0.00 C ATOM 270 OG1 THR A 10 -14.140 3.520 5.603 1.00 0.00 O ATOM 271 CG2 THR A 10 -16.172 2.782 4.537 1.00 0.00 C ATOM 0 H THR A 10 -13.263 5.559 3.027 1.00 0.00 H new ATOM 0 HA THR A 10 -13.945 2.660 3.000 1.00 0.00 H new ATOM 0 HB THR A 10 -15.428 4.797 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.627 3.591 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.715 2.860 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.850 2.992 3.710 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.772 1.774 4.431 1.00 0.00 H new ATOM 279 N VAL A 11 -15.268 3.283 1.046 1.00 0.00 N ATOM 280 CA VAL A 11 -16.128 3.637 -0.108 1.00 0.00 C ATOM 281 C VAL A 11 -17.016 2.448 -0.476 1.00 0.00 C ATOM 282 O VAL A 11 -17.066 1.458 0.224 1.00 0.00 O ATOM 283 CB VAL A 11 -15.154 3.950 -1.242 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.185 5.050 -0.806 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.359 2.697 -1.596 1.00 0.00 C ATOM 0 H VAL A 11 -14.802 2.378 0.981 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.788 4.478 0.104 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.719 4.286 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.493 5.269 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.746 5.950 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.625 4.716 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.665 2.923 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.801 2.361 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.043 1.910 -1.914 1.00 0.00 H new ATOM 295 N TYR A 12 -17.693 2.531 -1.581 1.00 0.00 N ATOM 296 CA TYR A 12 -18.550 1.397 -2.022 1.00 0.00 C ATOM 297 C TYR A 12 -17.776 0.578 -3.059 1.00 0.00 C ATOM 298 O TYR A 12 -18.040 -0.586 -3.282 1.00 0.00 O ATOM 299 CB TYR A 12 -19.775 2.054 -2.657 1.00 0.00 C ATOM 300 CG TYR A 12 -21.035 1.402 -2.136 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.572 1.798 -0.905 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.671 0.409 -2.889 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.747 1.202 -0.430 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.843 -0.190 -2.413 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.383 0.207 -1.184 1.00 0.00 C ATOM 306 OH TYR A 12 -24.540 -0.378 -0.715 1.00 0.00 O ATOM 0 H TYR A 12 -17.691 3.339 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.835 0.727 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.786 3.120 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.728 1.960 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -21.080 2.563 -0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.257 0.104 -3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -23.163 1.510 0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.331 -0.959 -2.994 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.852 -1.047 -1.359 1.00 0.00 H new ATOM 316 N GLU A 13 -16.809 1.197 -3.684 1.00 0.00 N ATOM 317 CA GLU A 13 -15.983 0.499 -4.702 1.00 0.00 C ATOM 318 C GLU A 13 -14.723 1.340 -4.964 1.00 0.00 C ATOM 319 O GLU A 13 -14.033 1.723 -4.042 1.00 0.00 O ATOM 320 CB GLU A 13 -16.879 0.408 -5.941 1.00 0.00 C ATOM 321 CG GLU A 13 -17.271 1.817 -6.398 1.00 0.00 C ATOM 322 CD GLU A 13 -17.404 1.842 -7.921 1.00 0.00 C ATOM 323 OE1 GLU A 13 -16.604 1.196 -8.577 1.00 0.00 O ATOM 324 OE2 GLU A 13 -18.304 2.509 -8.406 1.00 0.00 O ATOM 0 H GLU A 13 -16.556 2.172 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.650 -0.493 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.356 -0.113 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.773 -0.173 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.213 2.112 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.519 2.537 -6.076 1.00 0.00 H new ATOM 331 N GLY A 14 -14.415 1.648 -6.195 1.00 0.00 N ATOM 332 CA GLY A 14 -13.209 2.478 -6.467 1.00 0.00 C ATOM 333 C GLY A 14 -13.639 3.937 -6.632 1.00 0.00 C ATOM 334 O GLY A 14 -13.377 4.562 -7.640 1.00 0.00 O ATOM 0 H GLY A 14 -14.944 1.362 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.495 2.386 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.707 2.129 -7.369 1.00 0.00 H new ATOM 338 N GLU A 15 -14.304 4.479 -5.650 1.00 0.00 N ATOM 339 CA GLU A 15 -14.762 5.896 -5.747 1.00 0.00 C ATOM 340 C GLU A 15 -13.572 6.826 -5.977 1.00 0.00 C ATOM 341 O GLU A 15 -13.472 7.490 -6.990 1.00 0.00 O ATOM 342 CB GLU A 15 -15.419 6.190 -4.397 1.00 0.00 C ATOM 343 CG GLU A 15 -16.815 6.770 -4.625 1.00 0.00 C ATOM 344 CD GLU A 15 -16.705 8.276 -4.875 1.00 0.00 C ATOM 345 OE1 GLU A 15 -15.746 8.684 -5.508 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.583 8.996 -4.428 1.00 0.00 O ATOM 0 H GLU A 15 -14.551 4.002 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.448 6.051 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.485 5.276 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.810 6.893 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.289 6.282 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.446 6.579 -3.757 1.00 0.00 H new ATOM 353 N SER A 16 -12.675 6.878 -5.040 1.00 0.00 N ATOM 354 CA SER A 16 -11.483 7.763 -5.184 1.00 0.00 C ATOM 355 C SER A 16 -10.563 7.590 -3.976 1.00 0.00 C ATOM 356 O SER A 16 -10.224 8.540 -3.300 1.00 0.00 O ATOM 357 CB SER A 16 -12.037 9.188 -5.236 1.00 0.00 C ATOM 358 OG SER A 16 -13.236 9.257 -4.475 1.00 0.00 O ATOM 0 H SER A 16 -12.712 6.343 -4.172 1.00 0.00 H new ATOM 0 HA SER A 16 -10.899 7.528 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.302 9.890 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.232 9.477 -6.269 1.00 0.00 H new ATOM 0 HG SER A 16 -14.008 9.157 -5.071 1.00 0.00 H new ATOM 364 N ALA A 17 -10.164 6.380 -3.697 1.00 0.00 N ATOM 365 CA ALA A 17 -9.273 6.136 -2.529 1.00 0.00 C ATOM 366 C ALA A 17 -7.802 6.243 -2.944 1.00 0.00 C ATOM 367 O ALA A 17 -7.294 5.416 -3.676 1.00 0.00 O ATOM 368 CB ALA A 17 -9.600 4.711 -2.083 1.00 0.00 C ATOM 0 H ALA A 17 -10.418 5.548 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.427 6.864 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.985 4.449 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.653 4.648 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.396 4.018 -2.899 1.00 0.00 H new ATOM 374 N ARG A 18 -7.116 7.251 -2.474 1.00 0.00 N ATOM 375 CA ARG A 18 -5.676 7.412 -2.829 1.00 0.00 C ATOM 376 C ARG A 18 -4.824 7.348 -1.556 1.00 0.00 C ATOM 377 O ARG A 18 -5.207 7.857 -0.522 1.00 0.00 O ATOM 378 CB ARG A 18 -5.577 8.794 -3.475 1.00 0.00 C ATOM 379 CG ARG A 18 -5.405 8.641 -4.986 1.00 0.00 C ATOM 380 CD ARG A 18 -3.918 8.716 -5.342 1.00 0.00 C ATOM 381 NE ARG A 18 -3.885 8.922 -6.817 1.00 0.00 N ATOM 382 CZ ARG A 18 -2.741 8.996 -7.440 1.00 0.00 C ATOM 383 NH1 ARG A 18 -1.744 9.640 -6.898 1.00 0.00 N ATOM 384 NH2 ARG A 18 -2.592 8.425 -8.605 1.00 0.00 N ATOM 0 H ARG A 18 -7.492 7.972 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.318 6.630 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.474 9.374 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.734 9.343 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.821 7.689 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.954 9.426 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.427 9.536 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.398 7.801 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.757 9.005 -7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.859 10.085 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.849 9.698 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.371 7.920 -9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.697 8.484 -9.091 1.00 0.00 H new ATOM 398 N PHE A 19 -3.682 6.716 -1.614 1.00 0.00 N ATOM 399 CA PHE A 19 -2.834 6.616 -0.382 1.00 0.00 C ATOM 400 C PHE A 19 -1.359 6.843 -0.703 1.00 0.00 C ATOM 401 O PHE A 19 -0.914 6.651 -1.817 1.00 0.00 O ATOM 402 CB PHE A 19 -3.040 5.189 0.132 1.00 0.00 C ATOM 403 CG PHE A 19 -4.515 4.918 0.254 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.298 5.724 1.084 1.00 0.00 C ATOM 405 CD2 PHE A 19 -5.100 3.880 -0.476 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.671 5.490 1.188 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.473 3.647 -0.375 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.259 4.454 0.458 1.00 0.00 C ATOM 0 H PHE A 19 -3.300 6.269 -2.447 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.114 7.372 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.581 4.474 -0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.553 5.064 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.842 6.527 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.491 3.259 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.278 6.109 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.928 2.846 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.321 4.275 0.536 1.00 0.00 H new ATOM 418 N SER A 20 -0.592 7.243 0.274 1.00 0.00 N ATOM 419 CA SER A 20 0.859 7.467 0.031 1.00 0.00 C ATOM 420 C SER A 20 1.662 7.230 1.311 1.00 0.00 C ATOM 421 O SER A 20 1.453 7.871 2.322 1.00 0.00 O ATOM 422 CB SER A 20 0.976 8.921 -0.421 1.00 0.00 C ATOM 423 OG SER A 20 1.081 9.768 0.714 1.00 0.00 O ATOM 0 H SER A 20 -0.907 7.424 1.227 1.00 0.00 H new ATOM 0 HA SER A 20 1.256 6.780 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.850 9.044 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.105 9.199 -1.015 1.00 0.00 H new ATOM 0 HG SER A 20 0.854 9.262 1.522 1.00 0.00 H new ATOM 429 N CYS A 21 2.594 6.325 1.266 1.00 0.00 N ATOM 430 CA CYS A 21 3.431 6.059 2.465 1.00 0.00 C ATOM 431 C CYS A 21 4.881 6.398 2.135 1.00 0.00 C ATOM 432 O CYS A 21 5.457 5.849 1.228 1.00 0.00 O ATOM 433 CB CYS A 21 3.270 4.569 2.754 1.00 0.00 C ATOM 434 SG CYS A 21 3.756 3.597 1.305 1.00 0.00 S ATOM 0 H CYS A 21 2.814 5.756 0.448 1.00 0.00 H new ATOM 0 HA CYS A 21 3.139 6.655 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.882 4.289 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.235 4.352 3.017 1.00 0.00 H new ATOM 0 HG CYS A 21 2.737 2.909 0.883 1.00 0.00 H new ATOM 440 N ASP A 22 5.476 7.306 2.846 1.00 0.00 N ATOM 441 CA ASP A 22 6.879 7.668 2.533 1.00 0.00 C ATOM 442 C ASP A 22 7.831 6.786 3.321 1.00 0.00 C ATOM 443 O ASP A 22 7.850 6.806 4.530 1.00 0.00 O ATOM 444 CB ASP A 22 7.030 9.129 2.953 1.00 0.00 C ATOM 445 CG ASP A 22 5.902 9.974 2.344 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.159 9.443 1.534 1.00 0.00 O ATOM 447 OD2 ASP A 22 5.803 11.136 2.701 1.00 0.00 O ATOM 0 H ASP A 22 5.055 7.811 3.626 1.00 0.00 H new ATOM 0 HA ASP A 22 7.111 7.530 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.007 9.207 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.997 9.511 2.627 1.00 0.00 H new ATOM 452 N THR A 23 8.618 6.010 2.644 1.00 0.00 N ATOM 453 CA THR A 23 9.575 5.131 3.359 1.00 0.00 C ATOM 454 C THR A 23 10.998 5.436 2.921 1.00 0.00 C ATOM 455 O THR A 23 11.333 5.384 1.754 1.00 0.00 O ATOM 456 CB THR A 23 9.214 3.705 2.975 1.00 0.00 C ATOM 457 OG1 THR A 23 9.564 3.479 1.616 1.00 0.00 O ATOM 458 CG2 THR A 23 7.713 3.475 3.165 1.00 0.00 C ATOM 0 H THR A 23 8.641 5.945 1.626 1.00 0.00 H new ATOM 0 HA THR A 23 9.519 5.283 4.437 1.00 0.00 H new ATOM 0 HB THR A 23 9.762 3.012 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.124 4.216 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.464 2.451 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.449 3.643 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.156 4.168 2.534 1.00 0.00 H new ATOM 466 N ASP A 24 11.839 5.741 3.853 1.00 0.00 N ATOM 467 CA ASP A 24 13.258 6.041 3.506 1.00 0.00 C ATOM 468 C ASP A 24 14.078 4.752 3.506 1.00 0.00 C ATOM 469 O ASP A 24 13.672 3.747 4.053 1.00 0.00 O ATOM 470 CB ASP A 24 13.754 6.986 4.598 1.00 0.00 C ATOM 471 CG ASP A 24 15.107 7.571 4.191 1.00 0.00 C ATOM 472 OD1 ASP A 24 15.268 7.883 3.023 1.00 0.00 O ATOM 473 OD2 ASP A 24 15.960 7.698 5.054 1.00 0.00 O ATOM 0 H ASP A 24 11.613 5.798 4.846 1.00 0.00 H new ATOM 0 HA ASP A 24 13.352 6.486 2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.032 7.787 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.847 6.450 5.543 1.00 0.00 H new ATOM 478 N GLY A 25 15.229 4.775 2.898 1.00 0.00 N ATOM 479 CA GLY A 25 16.076 3.547 2.863 1.00 0.00 C ATOM 480 C GLY A 25 17.126 3.667 1.755 1.00 0.00 C ATOM 481 O GLY A 25 16.977 4.432 0.823 1.00 0.00 O ATOM 0 H GLY A 25 15.622 5.588 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.566 3.406 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.452 2.670 2.691 1.00 0.00 H new ATOM 485 N GLU A 26 18.190 2.915 1.854 1.00 0.00 N ATOM 486 CA GLU A 26 19.260 2.977 0.813 1.00 0.00 C ATOM 487 C GLU A 26 19.721 1.543 0.442 1.00 0.00 C ATOM 488 O GLU A 26 20.022 0.760 1.323 1.00 0.00 O ATOM 489 CB GLU A 26 20.394 3.768 1.484 1.00 0.00 C ATOM 490 CG GLU A 26 21.715 3.564 0.730 1.00 0.00 C ATOM 491 CD GLU A 26 22.462 2.369 1.330 1.00 0.00 C ATOM 492 OE1 GLU A 26 23.127 2.559 2.335 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.355 1.287 0.778 1.00 0.00 O ATOM 0 H GLU A 26 18.366 2.258 2.614 1.00 0.00 H new ATOM 0 HA GLU A 26 18.929 3.445 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.142 4.828 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.506 3.446 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.520 3.391 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.328 4.462 0.798 1.00 0.00 H new ATOM 500 N PRO A 27 19.774 1.235 -0.845 1.00 0.00 N ATOM 501 CA PRO A 27 19.404 2.202 -1.910 1.00 0.00 C ATOM 502 C PRO A 27 17.888 2.387 -1.921 1.00 0.00 C ATOM 503 O PRO A 27 17.215 2.045 -0.970 1.00 0.00 O ATOM 504 CB PRO A 27 19.890 1.541 -3.195 1.00 0.00 C ATOM 505 CG PRO A 27 19.921 0.080 -2.890 1.00 0.00 C ATOM 506 CD PRO A 27 20.170 -0.062 -1.410 1.00 0.00 C ATOM 0 HA PRO A 27 19.840 3.192 -1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.220 1.756 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.877 1.906 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.978 -0.391 -3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 27 20.706 -0.416 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.583 -0.876 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.217 -0.282 -1.203 1.00 0.00 H new ATOM 514 N VAL A 28 17.361 2.934 -2.982 1.00 0.00 N ATOM 515 CA VAL A 28 15.883 3.166 -3.085 1.00 0.00 C ATOM 516 C VAL A 28 15.085 1.998 -2.475 1.00 0.00 C ATOM 517 O VAL A 28 15.272 0.859 -2.856 1.00 0.00 O ATOM 518 CB VAL A 28 15.612 3.278 -4.584 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.122 3.530 -4.818 1.00 0.00 C ATOM 520 CG2 VAL A 28 16.416 4.447 -5.157 1.00 0.00 C ATOM 0 H VAL A 28 17.896 3.236 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 28 15.575 4.057 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 28 15.906 2.351 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.930 3.610 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.544 2.703 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.828 4.458 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.225 4.530 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.117 5.371 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.479 4.274 -4.991 1.00 0.00 H new ATOM 530 N PRO A 29 14.229 2.318 -1.530 1.00 0.00 N ATOM 531 CA PRO A 29 13.415 1.276 -0.852 1.00 0.00 C ATOM 532 C PRO A 29 12.347 0.728 -1.805 1.00 0.00 C ATOM 533 O PRO A 29 12.176 1.208 -2.907 1.00 0.00 O ATOM 534 CB PRO A 29 12.763 2.034 0.303 1.00 0.00 C ATOM 535 CG PRO A 29 12.724 3.454 -0.144 1.00 0.00 C ATOM 536 CD PRO A 29 13.935 3.662 -1.008 1.00 0.00 C ATOM 0 HA PRO A 29 14.003 0.419 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.761 1.657 0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.339 1.925 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.810 3.661 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.736 4.130 0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.735 4.369 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.772 4.060 -0.434 1.00 0.00 H new ATOM 544 N THR A 30 11.623 -0.272 -1.381 1.00 0.00 N ATOM 545 CA THR A 30 10.557 -0.854 -2.249 1.00 0.00 C ATOM 546 C THR A 30 9.227 -0.867 -1.487 1.00 0.00 C ATOM 547 O THR A 30 9.137 -0.360 -0.386 1.00 0.00 O ATOM 548 CB THR A 30 11.027 -2.281 -2.548 1.00 0.00 C ATOM 549 OG1 THR A 30 10.112 -2.904 -3.438 1.00 0.00 O ATOM 550 CG2 THR A 30 11.104 -3.082 -1.247 1.00 0.00 C ATOM 0 H THR A 30 11.724 -0.713 -0.467 1.00 0.00 H new ATOM 0 HA THR A 30 10.398 -0.284 -3.164 1.00 0.00 H new ATOM 0 HB THR A 30 12.015 -2.247 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.413 -3.816 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.439 -4.097 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.810 -2.605 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.119 -3.116 -0.782 1.00 0.00 H new ATOM 558 N VAL A 31 8.195 -1.437 -2.050 1.00 0.00 N ATOM 559 CA VAL A 31 6.892 -1.465 -1.326 1.00 0.00 C ATOM 560 C VAL A 31 6.100 -2.734 -1.648 1.00 0.00 C ATOM 561 O VAL A 31 6.167 -3.266 -2.738 1.00 0.00 O ATOM 562 CB VAL A 31 6.132 -0.199 -1.791 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.165 -0.511 -2.947 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.322 0.353 -0.620 1.00 0.00 C ATOM 0 H VAL A 31 8.197 -1.879 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 31 7.038 -1.473 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 31 6.867 0.527 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.650 0.402 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.726 -0.906 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.434 -1.250 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.783 1.245 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.610 -0.400 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.994 0.608 0.199 1.00 0.00 H new ATOM 574 N THR A 32 5.310 -3.183 -0.720 1.00 0.00 N ATOM 575 CA THR A 32 4.462 -4.370 -0.976 1.00 0.00 C ATOM 576 C THR A 32 3.188 -4.238 -0.156 1.00 0.00 C ATOM 577 O THR A 32 3.199 -4.410 1.032 1.00 0.00 O ATOM 578 CB THR A 32 5.267 -5.586 -0.519 1.00 0.00 C ATOM 579 OG1 THR A 32 6.656 -5.313 -0.643 1.00 0.00 O ATOM 580 CG2 THR A 32 4.893 -6.794 -1.386 1.00 0.00 C ATOM 0 H THR A 32 5.216 -2.775 0.210 1.00 0.00 H new ATOM 0 HA THR A 32 4.190 -4.466 -2.027 1.00 0.00 H new ATOM 0 HB THR A 32 5.040 -5.805 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.898 -5.275 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.465 -7.664 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.828 -7.001 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.120 -6.577 -2.430 1.00 0.00 H new ATOM 588 N TRP A 33 2.091 -3.939 -0.775 1.00 0.00 N ATOM 589 CA TRP A 33 0.829 -3.794 -0.001 1.00 0.00 C ATOM 590 C TRP A 33 0.205 -5.179 0.145 1.00 0.00 C ATOM 591 O TRP A 33 0.070 -5.899 -0.816 1.00 0.00 O ATOM 592 CB TRP A 33 -0.041 -2.863 -0.846 1.00 0.00 C ATOM 593 CG TRP A 33 0.683 -1.577 -1.080 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.666 -1.408 -1.981 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.502 -0.294 -0.429 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.114 -0.099 -1.922 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.426 0.629 -0.975 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.363 0.150 0.574 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.488 1.952 -0.535 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.310 1.481 1.025 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.617 2.381 0.470 1.00 0.00 C ATOM 0 H TRP A 33 2.008 -3.788 -1.780 1.00 0.00 H new ATOM 0 HA TRP A 33 0.962 -3.388 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.280 -3.336 -1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.987 -2.673 -0.339 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.046 -2.171 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.860 0.279 -2.506 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.078 -0.534 1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.202 2.637 -0.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.984 1.813 1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.656 3.402 0.820 1.00 0.00 H new ATOM 612 N LEU A 34 -0.123 -5.592 1.342 1.00 0.00 N ATOM 613 CA LEU A 34 -0.693 -6.966 1.501 1.00 0.00 C ATOM 614 C LEU A 34 -1.571 -7.104 2.753 1.00 0.00 C ATOM 615 O LEU A 34 -1.234 -6.638 3.824 1.00 0.00 O ATOM 616 CB LEU A 34 0.527 -7.899 1.562 1.00 0.00 C ATOM 617 CG LEU A 34 1.164 -7.883 2.954 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.365 -8.825 2.958 1.00 0.00 C ATOM 619 CD2 LEU A 34 1.626 -6.466 3.295 1.00 0.00 C ATOM 0 H LEU A 34 -0.024 -5.051 2.201 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.359 -7.211 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.225 -8.915 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.262 -7.591 0.819 1.00 0.00 H new ATOM 0 HG LEU A 34 0.434 -8.208 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.827 -8.822 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.036 -9.835 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.091 -8.492 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.079 -6.460 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.359 -6.135 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.770 -5.791 3.283 1.00 0.00 H new ATOM 631 N ARG A 35 -2.687 -7.763 2.617 1.00 0.00 N ATOM 632 CA ARG A 35 -3.590 -7.973 3.768 1.00 0.00 C ATOM 633 C ARG A 35 -4.534 -9.135 3.465 1.00 0.00 C ATOM 634 O ARG A 35 -5.724 -8.948 3.307 1.00 0.00 O ATOM 635 CB ARG A 35 -4.369 -6.688 3.865 1.00 0.00 C ATOM 636 CG ARG A 35 -4.681 -6.399 5.327 1.00 0.00 C ATOM 637 CD ARG A 35 -5.844 -7.278 5.796 1.00 0.00 C ATOM 638 NE ARG A 35 -5.708 -7.330 7.279 1.00 0.00 N ATOM 639 CZ ARG A 35 -6.208 -8.334 7.948 1.00 0.00 C ATOM 640 NH1 ARG A 35 -7.247 -8.977 7.487 1.00 0.00 N ATOM 641 NH2 ARG A 35 -5.668 -8.693 9.081 1.00 0.00 N ATOM 0 H ARG A 35 -3.012 -8.169 1.740 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.060 -8.210 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.795 -5.868 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.293 -6.765 3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.800 -6.589 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.936 -5.347 5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.804 -6.854 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.788 -8.275 5.358 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.224 -6.580 7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.670 -8.695 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.636 -9.761 8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.858 -8.190 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.057 -9.477 9.605 1.00 0.00 H new ATOM 655 N LYS A 36 -4.022 -10.331 3.353 1.00 0.00 N ATOM 656 CA LYS A 36 -4.909 -11.488 3.026 1.00 0.00 C ATOM 657 C LYS A 36 -5.626 -11.221 1.698 1.00 0.00 C ATOM 658 O LYS A 36 -6.640 -11.818 1.395 1.00 0.00 O ATOM 659 CB LYS A 36 -5.917 -11.565 4.173 1.00 0.00 C ATOM 660 CG LYS A 36 -6.478 -12.985 4.274 1.00 0.00 C ATOM 661 CD LYS A 36 -7.999 -12.921 4.434 1.00 0.00 C ATOM 662 CE LYS A 36 -8.592 -14.321 4.254 1.00 0.00 C ATOM 663 NZ LYS A 36 -9.745 -14.373 5.196 1.00 0.00 N ATOM 0 H LYS A 36 -3.035 -10.558 3.473 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.355 -12.421 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.437 -11.286 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.727 -10.855 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.219 -13.554 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.034 -13.504 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.255 -12.530 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.424 -12.237 3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.914 -14.484 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.858 -15.093 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.205 -15.304 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.407 -14.221 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.430 -13.631 4.948 1.00 0.00 H new ATOM 677 N GLY A 37 -5.103 -10.322 0.908 1.00 0.00 N ATOM 678 CA GLY A 37 -5.740 -10.001 -0.396 1.00 0.00 C ATOM 679 C GLY A 37 -4.826 -10.458 -1.538 1.00 0.00 C ATOM 680 O GLY A 37 -4.895 -9.952 -2.642 1.00 0.00 O ATOM 0 H GLY A 37 -4.255 -9.794 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.708 -10.495 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.923 -8.929 -0.469 1.00 0.00 H new ATOM 684 N GLN A 38 -3.970 -11.411 -1.281 1.00 0.00 N ATOM 685 CA GLN A 38 -3.052 -11.902 -2.351 1.00 0.00 C ATOM 686 C GLN A 38 -2.287 -10.731 -2.973 1.00 0.00 C ATOM 687 O GLN A 38 -2.625 -10.263 -4.040 1.00 0.00 O ATOM 688 CB GLN A 38 -3.963 -12.558 -3.387 1.00 0.00 C ATOM 689 CG GLN A 38 -3.176 -13.619 -4.157 1.00 0.00 C ATOM 690 CD GLN A 38 -2.761 -13.058 -5.519 1.00 0.00 C ATOM 691 OE1 GLN A 38 -3.450 -12.233 -6.084 1.00 0.00 O ATOM 692 NE2 GLN A 38 -1.656 -13.476 -6.075 1.00 0.00 N ATOM 0 H GLN A 38 -3.866 -11.871 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.307 -12.598 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.823 -13.013 -2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.350 -11.806 -4.075 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.294 -13.916 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.785 -14.513 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.077 -14.169 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.372 -13.110 -6.984 1.00 0.00 H new ATOM 701 N VAL A 39 -1.259 -10.264 -2.303 1.00 0.00 N ATOM 702 CA VAL A 39 -0.435 -9.112 -2.810 1.00 0.00 C ATOM 703 C VAL A 39 -1.303 -8.061 -3.524 1.00 0.00 C ATOM 704 O VAL A 39 -1.638 -8.173 -4.687 1.00 0.00 O ATOM 705 CB VAL A 39 0.622 -9.718 -3.743 1.00 0.00 C ATOM 706 CG1 VAL A 39 1.590 -10.564 -2.911 1.00 0.00 C ATOM 707 CG2 VAL A 39 -0.036 -10.607 -4.804 1.00 0.00 C ATOM 0 H VAL A 39 -0.948 -10.639 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 39 0.039 -8.577 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 39 1.154 -8.910 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.346 -11.000 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.075 -9.934 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.039 -11.361 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.732 -11.026 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.579 -11.416 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.730 -10.012 -5.398 1.00 0.00 H new ATOM 717 N LEU A 40 -1.651 -7.030 -2.808 1.00 0.00 N ATOM 718 CA LEU A 40 -2.492 -5.928 -3.371 1.00 0.00 C ATOM 719 C LEU A 40 -1.936 -5.488 -4.720 1.00 0.00 C ATOM 720 O LEU A 40 -2.664 -5.081 -5.600 1.00 0.00 O ATOM 721 CB LEU A 40 -2.354 -4.774 -2.370 1.00 0.00 C ATOM 722 CG LEU A 40 -3.452 -4.822 -1.303 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.123 -5.883 -0.249 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.520 -3.463 -0.611 1.00 0.00 C ATOM 0 H LEU A 40 -1.383 -6.898 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.527 -6.238 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.377 -4.822 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.402 -3.823 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.401 -5.067 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.912 -5.906 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.049 -6.860 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.174 -5.640 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.298 -3.482 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.560 -3.244 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.751 -2.692 -1.346 1.00 0.00 H new ATOM 736 N SER A 41 -0.636 -5.558 -4.855 1.00 0.00 N ATOM 737 CA SER A 41 0.059 -5.140 -6.117 1.00 0.00 C ATOM 738 C SER A 41 -0.781 -5.413 -7.364 1.00 0.00 C ATOM 739 O SER A 41 -0.695 -6.473 -7.952 1.00 0.00 O ATOM 740 CB SER A 41 1.323 -5.988 -6.153 1.00 0.00 C ATOM 741 OG SER A 41 0.980 -7.341 -5.886 1.00 0.00 O ATOM 0 H SER A 41 -0.009 -5.896 -4.125 1.00 0.00 H new ATOM 0 HA SER A 41 0.252 -4.067 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.803 -5.907 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.039 -5.628 -5.414 1.00 0.00 H new ATOM 0 HG SER A 41 0.335 -7.653 -6.555 1.00 0.00 H new ATOM 747 N THR A 42 -1.569 -4.441 -7.771 1.00 0.00 N ATOM 748 CA THR A 42 -2.433 -4.563 -8.989 1.00 0.00 C ATOM 749 C THR A 42 -2.856 -6.016 -9.241 1.00 0.00 C ATOM 750 O THR A 42 -2.821 -6.505 -10.352 1.00 0.00 O ATOM 751 CB THR A 42 -1.559 -4.041 -10.126 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.500 -4.955 -10.369 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.983 -2.670 -9.754 1.00 0.00 C ATOM 0 H THR A 42 -1.649 -3.543 -7.293 1.00 0.00 H new ATOM 0 HA THR A 42 -3.364 -4.005 -8.886 1.00 0.00 H new ATOM 0 HB THR A 42 -2.165 -3.940 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.060 -4.620 -11.100 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.360 -2.303 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.798 -1.969 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.380 -2.762 -8.850 1.00 0.00 H new ATOM 761 N SER A 43 -3.240 -6.705 -8.202 1.00 0.00 N ATOM 762 CA SER A 43 -3.653 -8.131 -8.346 1.00 0.00 C ATOM 763 C SER A 43 -4.612 -8.307 -9.525 1.00 0.00 C ATOM 764 O SER A 43 -4.238 -8.800 -10.571 1.00 0.00 O ATOM 765 CB SER A 43 -4.341 -8.469 -7.031 1.00 0.00 C ATOM 766 OG SER A 43 -3.641 -9.529 -6.397 1.00 0.00 O ATOM 0 H SER A 43 -3.286 -6.339 -7.251 1.00 0.00 H new ATOM 0 HA SER A 43 -2.805 -8.786 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.363 -7.593 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.376 -8.758 -7.212 1.00 0.00 H new ATOM 0 HG SER A 43 -3.201 -9.193 -5.588 1.00 0.00 H new ATOM 772 N ALA A 44 -5.846 -7.919 -9.365 1.00 0.00 N ATOM 773 CA ALA A 44 -6.821 -8.078 -10.483 1.00 0.00 C ATOM 774 C ALA A 44 -7.609 -6.785 -10.727 1.00 0.00 C ATOM 775 O ALA A 44 -8.211 -6.610 -11.767 1.00 0.00 O ATOM 776 CB ALA A 44 -7.760 -9.196 -10.028 1.00 0.00 C ATOM 0 H ALA A 44 -6.222 -7.501 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.319 -8.309 -11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.511 -9.376 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.186 -10.107 -9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.253 -8.902 -9.101 1.00 0.00 H new ATOM 782 N ARG A 45 -7.628 -5.882 -9.784 1.00 0.00 N ATOM 783 CA ARG A 45 -8.403 -4.622 -9.992 1.00 0.00 C ATOM 784 C ARG A 45 -7.855 -3.474 -9.131 1.00 0.00 C ATOM 785 O ARG A 45 -8.504 -2.462 -8.953 1.00 0.00 O ATOM 786 CB ARG A 45 -9.837 -4.968 -9.579 1.00 0.00 C ATOM 787 CG ARG A 45 -9.844 -5.665 -8.214 1.00 0.00 C ATOM 788 CD ARG A 45 -9.954 -7.179 -8.420 1.00 0.00 C ATOM 789 NE ARG A 45 -9.147 -7.778 -7.322 1.00 0.00 N ATOM 790 CZ ARG A 45 -9.743 -8.352 -6.315 1.00 0.00 C ATOM 791 NH1 ARG A 45 -10.618 -7.689 -5.611 1.00 0.00 N ATOM 792 NH2 ARG A 45 -9.468 -9.592 -6.013 1.00 0.00 N ATOM 0 H ARG A 45 -7.147 -5.959 -8.888 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.338 -4.279 -11.025 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.439 -4.060 -9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.292 -5.616 -10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.933 -5.426 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.680 -5.306 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.992 -7.509 -8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.571 -7.473 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.128 -7.739 -7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.836 -6.721 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.084 -8.138 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.786 -10.112 -6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.935 -10.041 -5.225 1.00 0.00 H new ATOM 806 N HIS A 46 -6.672 -3.612 -8.600 1.00 0.00 N ATOM 807 CA HIS A 46 -6.097 -2.526 -7.764 1.00 0.00 C ATOM 808 C HIS A 46 -5.132 -1.687 -8.610 1.00 0.00 C ATOM 809 O HIS A 46 -4.921 -1.964 -9.774 1.00 0.00 O ATOM 810 CB HIS A 46 -5.337 -3.253 -6.653 1.00 0.00 C ATOM 811 CG HIS A 46 -6.197 -4.330 -6.039 1.00 0.00 C ATOM 812 ND1 HIS A 46 -7.114 -4.067 -5.032 1.00 0.00 N ATOM 813 CD2 HIS A 46 -6.286 -5.679 -6.281 1.00 0.00 C ATOM 814 CE1 HIS A 46 -7.708 -5.230 -4.711 1.00 0.00 C ATOM 815 NE2 HIS A 46 -7.241 -6.245 -5.441 1.00 0.00 N ATOM 0 H HIS A 46 -6.078 -4.434 -8.711 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.855 -1.851 -7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.426 -3.694 -7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.034 -2.541 -5.886 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.303 -3.157 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.703 -6.219 -7.012 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.471 -5.331 -3.954 1.00 0.00 H new ATOM 823 N GLN A 47 -4.538 -0.668 -8.045 1.00 0.00 N ATOM 824 CA GLN A 47 -3.589 0.165 -8.836 1.00 0.00 C ATOM 825 C GLN A 47 -2.518 0.753 -7.915 1.00 0.00 C ATOM 826 O GLN A 47 -2.643 1.863 -7.441 1.00 0.00 O ATOM 827 CB GLN A 47 -4.449 1.275 -9.448 1.00 0.00 C ATOM 828 CG GLN A 47 -3.554 2.305 -10.144 1.00 0.00 C ATOM 829 CD GLN A 47 -2.712 1.612 -11.216 1.00 0.00 C ATOM 830 OE1 GLN A 47 -3.243 0.958 -12.092 1.00 0.00 O ATOM 831 NE2 GLN A 47 -1.412 1.728 -11.184 1.00 0.00 N ATOM 0 H GLN A 47 -4.669 -0.379 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.068 -0.410 -9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.152 0.849 -10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.039 1.760 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.165 3.086 -10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.905 2.790 -9.415 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.967 2.277 -10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.841 1.270 -11.894 1.00 0.00 H new ATOM 840 N VAL A 48 -1.470 0.024 -7.649 1.00 0.00 N ATOM 841 CA VAL A 48 -0.411 0.564 -6.750 1.00 0.00 C ATOM 842 C VAL A 48 0.786 1.066 -7.570 1.00 0.00 C ATOM 843 O VAL A 48 0.956 0.720 -8.723 1.00 0.00 O ATOM 844 CB VAL A 48 -0.037 -0.608 -5.816 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.248 -1.314 -6.270 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.170 -0.071 -4.402 1.00 0.00 C ATOM 0 H VAL A 48 -1.301 -0.914 -8.011 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.748 1.425 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.851 -1.333 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.475 -2.132 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.109 -1.710 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.073 -0.602 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.434 -0.892 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.973 0.666 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.750 0.398 -4.053 1.00 0.00 H new ATOM 856 N THR A 49 1.616 1.868 -6.972 1.00 0.00 N ATOM 857 CA THR A 49 2.814 2.391 -7.696 1.00 0.00 C ATOM 858 C THR A 49 3.940 2.684 -6.699 1.00 0.00 C ATOM 859 O THR A 49 3.709 2.797 -5.515 1.00 0.00 O ATOM 860 CB THR A 49 2.342 3.679 -8.370 1.00 0.00 C ATOM 861 OG1 THR A 49 3.451 4.330 -8.973 1.00 0.00 O ATOM 862 CG2 THR A 49 1.716 4.598 -7.324 1.00 0.00 C ATOM 0 H THR A 49 1.520 2.188 -6.008 1.00 0.00 H new ATOM 0 HA THR A 49 3.206 1.677 -8.421 1.00 0.00 H new ATOM 0 HB THR A 49 1.602 3.442 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.149 5.155 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.379 5.517 -7.803 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.866 4.097 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.456 4.837 -6.560 1.00 0.00 H new ATOM 870 N THR A 50 5.153 2.812 -7.165 1.00 0.00 N ATOM 871 CA THR A 50 6.284 3.101 -6.228 1.00 0.00 C ATOM 872 C THR A 50 7.216 4.158 -6.828 1.00 0.00 C ATOM 873 O THR A 50 7.473 4.169 -8.015 1.00 0.00 O ATOM 874 CB THR A 50 7.026 1.771 -6.073 1.00 0.00 C ATOM 875 OG1 THR A 50 7.656 1.438 -7.302 1.00 0.00 O ATOM 876 CG2 THR A 50 6.043 0.665 -5.686 1.00 0.00 C ATOM 0 H THR A 50 5.412 2.730 -8.148 1.00 0.00 H new ATOM 0 HA THR A 50 5.932 3.489 -5.272 1.00 0.00 H new ATOM 0 HB THR A 50 7.777 1.868 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.133 0.588 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.580 -0.277 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.563 0.919 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.285 0.564 -6.463 1.00 0.00 H new ATOM 884 N THR A 51 7.731 5.043 -6.017 1.00 0.00 N ATOM 885 CA THR A 51 8.653 6.094 -6.541 1.00 0.00 C ATOM 886 C THR A 51 10.069 5.857 -5.992 1.00 0.00 C ATOM 887 O THR A 51 10.516 4.732 -5.891 1.00 0.00 O ATOM 888 CB THR A 51 8.064 7.415 -6.036 1.00 0.00 C ATOM 889 OG1 THR A 51 6.646 7.342 -6.084 1.00 0.00 O ATOM 890 CG2 THR A 51 8.540 8.568 -6.923 1.00 0.00 C ATOM 0 H THR A 51 7.553 5.084 -5.013 1.00 0.00 H new ATOM 0 HA THR A 51 8.738 6.090 -7.628 1.00 0.00 H new ATOM 0 HB THR A 51 8.393 7.589 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.310 6.947 -5.252 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.118 9.505 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.628 8.624 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.213 8.397 -7.949 1.00 0.00 H new ATOM 898 N LYS A 52 10.784 6.895 -5.635 1.00 0.00 N ATOM 899 CA LYS A 52 12.160 6.697 -5.099 1.00 0.00 C ATOM 900 C LYS A 52 12.096 6.154 -3.671 1.00 0.00 C ATOM 901 O LYS A 52 12.389 5.003 -3.421 1.00 0.00 O ATOM 902 CB LYS A 52 12.797 8.088 -5.119 1.00 0.00 C ATOM 903 CG LYS A 52 12.865 8.595 -6.560 1.00 0.00 C ATOM 904 CD LYS A 52 12.927 10.124 -6.562 1.00 0.00 C ATOM 905 CE LYS A 52 14.380 10.576 -6.407 1.00 0.00 C ATOM 906 NZ LYS A 52 14.826 10.915 -7.787 1.00 0.00 N ATOM 0 H LYS A 52 10.474 7.865 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 52 12.734 5.979 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.214 8.776 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.798 8.048 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.742 8.184 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.992 8.255 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.511 10.514 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.322 10.524 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.457 11.438 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.995 9.786 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.815 11.234 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.748 10.074 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.226 11.674 -8.169 1.00 0.00 H new ATOM 920 N TYR A 53 11.709 6.972 -2.730 1.00 0.00 N ATOM 921 CA TYR A 53 11.623 6.496 -1.319 1.00 0.00 C ATOM 922 C TYR A 53 10.212 6.685 -0.793 1.00 0.00 C ATOM 923 O TYR A 53 9.998 6.864 0.385 1.00 0.00 O ATOM 924 CB TYR A 53 12.569 7.378 -0.525 1.00 0.00 C ATOM 925 CG TYR A 53 13.932 7.390 -1.171 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.175 8.238 -2.253 1.00 0.00 C ATOM 927 CD2 TYR A 53 14.949 6.562 -0.683 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.437 8.263 -2.854 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.213 6.585 -1.284 1.00 0.00 C ATOM 930 CZ TYR A 53 16.458 7.437 -2.369 1.00 0.00 C ATOM 931 OH TYR A 53 17.705 7.460 -2.961 1.00 0.00 O ATOM 0 H TYR A 53 11.449 7.947 -2.876 1.00 0.00 H new ATOM 0 HA TYR A 53 11.879 5.440 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.174 8.393 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.646 7.012 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.387 8.875 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.759 5.907 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.624 8.919 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.000 5.946 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 53 18.297 6.828 -2.502 1.00 0.00 H new ATOM 941 N LYS A 54 9.254 6.668 -1.658 1.00 0.00 N ATOM 942 CA LYS A 54 7.844 6.862 -1.215 1.00 0.00 C ATOM 943 C LYS A 54 6.900 6.132 -2.166 1.00 0.00 C ATOM 944 O LYS A 54 6.993 6.264 -3.366 1.00 0.00 O ATOM 945 CB LYS A 54 7.580 8.384 -1.241 1.00 0.00 C ATOM 946 CG LYS A 54 8.472 9.093 -2.276 1.00 0.00 C ATOM 947 CD LYS A 54 7.999 10.536 -2.456 1.00 0.00 C ATOM 948 CE LYS A 54 8.893 11.473 -1.640 1.00 0.00 C ATOM 949 NZ LYS A 54 10.041 11.786 -2.537 1.00 0.00 N ATOM 0 H LYS A 54 9.378 6.528 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 54 7.677 6.460 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.532 8.569 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.764 8.803 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.511 9.078 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.432 8.565 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.032 10.812 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.962 10.633 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.358 12.378 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.230 10.996 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.700 12.425 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.535 10.906 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.691 12.246 -3.402 1.00 0.00 H new ATOM 963 N SER A 55 5.992 5.358 -1.646 1.00 0.00 N ATOM 964 CA SER A 55 5.054 4.629 -2.531 1.00 0.00 C ATOM 965 C SER A 55 3.656 5.216 -2.426 1.00 0.00 C ATOM 966 O SER A 55 3.381 6.057 -1.598 1.00 0.00 O ATOM 967 CB SER A 55 5.052 3.190 -2.035 1.00 0.00 C ATOM 968 OG SER A 55 5.312 2.343 -3.134 1.00 0.00 O ATOM 0 H SER A 55 5.861 5.200 -0.647 1.00 0.00 H new ATOM 0 HA SER A 55 5.357 4.700 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.809 3.053 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.090 2.944 -1.585 1.00 0.00 H new ATOM 0 HG SER A 55 4.657 2.515 -3.842 1.00 0.00 H new ATOM 974 N THR A 56 2.772 4.768 -3.262 1.00 0.00 N ATOM 975 CA THR A 56 1.385 5.285 -3.218 1.00 0.00 C ATOM 976 C THR A 56 0.424 4.208 -3.701 1.00 0.00 C ATOM 977 O THR A 56 0.647 3.567 -4.712 1.00 0.00 O ATOM 978 CB THR A 56 1.382 6.485 -4.162 1.00 0.00 C ATOM 979 OG1 THR A 56 2.195 6.201 -5.289 1.00 0.00 O ATOM 980 CG2 THR A 56 1.939 7.701 -3.432 1.00 0.00 C ATOM 0 H THR A 56 2.951 4.063 -3.977 1.00 0.00 H new ATOM 0 HA THR A 56 1.069 5.567 -2.213 1.00 0.00 H new ATOM 0 HB THR A 56 0.363 6.689 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.192 6.970 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.938 8.560 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.319 7.919 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.959 7.495 -3.107 1.00 0.00 H new ATOM 988 N PHE A 57 -0.634 3.993 -2.981 1.00 0.00 N ATOM 989 CA PHE A 57 -1.598 2.949 -3.394 1.00 0.00 C ATOM 990 C PHE A 57 -2.960 3.567 -3.700 1.00 0.00 C ATOM 991 O PHE A 57 -3.572 4.193 -2.862 1.00 0.00 O ATOM 992 CB PHE A 57 -1.687 2.002 -2.196 1.00 0.00 C ATOM 993 CG PHE A 57 -2.759 0.968 -2.443 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.854 0.345 -3.691 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.654 0.632 -1.422 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.845 -0.615 -3.921 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.645 -0.328 -1.650 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.740 -0.952 -2.900 1.00 0.00 C ATOM 0 H PHE A 57 -0.872 4.495 -2.125 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.284 2.432 -4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.726 1.513 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.913 2.565 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.162 0.605 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.580 1.114 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.919 -1.095 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.337 -0.588 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.505 -1.694 -3.076 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.446 3.374 -4.891 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.776 3.930 -5.245 1.00 0.00 C ATOM 1010 C GLU A 58 -5.669 2.791 -5.734 1.00 0.00 C ATOM 1011 O GLU A 58 -5.212 1.866 -6.377 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.514 4.943 -6.364 1.00 0.00 C ATOM 1013 CG GLU A 58 -3.827 4.253 -7.543 1.00 0.00 C ATOM 1014 CD GLU A 58 -3.989 5.109 -8.801 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -5.066 5.085 -9.373 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -3.034 5.771 -9.171 1.00 0.00 O ATOM 0 H GLU A 58 -2.979 2.855 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.277 4.406 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.454 5.389 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.889 5.755 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.769 4.105 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.261 3.266 -7.704 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.931 2.831 -5.427 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.830 1.728 -5.875 1.00 0.00 C ATOM 1025 C ILE A 59 -8.947 2.284 -6.758 1.00 0.00 C ATOM 1026 O ILE A 59 -9.404 3.393 -6.573 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.390 1.118 -4.590 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.234 0.773 -3.641 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.164 -0.153 -4.929 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.778 0.120 -2.368 1.00 0.00 C ATOM 0 H ILE A 59 -7.380 3.572 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.306 0.982 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.055 1.834 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.536 0.098 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.679 1.676 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.564 -0.590 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.984 0.090 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.497 -0.868 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.951 -0.121 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.458 0.809 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.313 -0.794 -2.628 1.00 0.00 H new ATOM 1042 N SER A 60 -9.378 1.527 -7.731 1.00 0.00 N ATOM 1043 CA SER A 60 -10.455 2.029 -8.638 1.00 0.00 C ATOM 1044 C SER A 60 -11.299 0.875 -9.197 1.00 0.00 C ATOM 1045 O SER A 60 -12.510 0.873 -9.103 1.00 0.00 O ATOM 1046 CB SER A 60 -9.703 2.725 -9.769 1.00 0.00 C ATOM 1047 OG SER A 60 -8.521 1.993 -10.063 1.00 0.00 O ATOM 0 H SER A 60 -9.035 0.589 -7.938 1.00 0.00 H new ATOM 0 HA SER A 60 -11.148 2.689 -8.117 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.334 2.791 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.451 3.745 -9.480 1.00 0.00 H new ATOM 0 HG SER A 60 -8.035 2.435 -10.790 1.00 0.00 H new ATOM 1053 N SER A 61 -10.668 -0.091 -9.799 1.00 0.00 N ATOM 1054 CA SER A 61 -11.426 -1.235 -10.390 1.00 0.00 C ATOM 1055 C SER A 61 -11.907 -2.212 -9.308 1.00 0.00 C ATOM 1056 O SER A 61 -12.531 -3.206 -9.608 1.00 0.00 O ATOM 1057 CB SER A 61 -10.415 -1.917 -11.298 1.00 0.00 C ATOM 1058 OG SER A 61 -10.798 -3.269 -11.510 1.00 0.00 O ATOM 0 H SER A 61 -9.655 -0.141 -9.910 1.00 0.00 H new ATOM 0 HA SER A 61 -12.322 -0.902 -10.915 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.355 -1.392 -12.251 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.423 -1.876 -10.849 1.00 0.00 H new ATOM 0 HG SER A 61 -11.701 -3.413 -11.156 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.602 -1.945 -8.064 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.014 -2.860 -6.944 1.00 0.00 C ATOM 1066 C VAL A 62 -13.416 -3.457 -7.171 1.00 0.00 C ATOM 1067 O VAL A 62 -14.324 -2.783 -7.614 1.00 0.00 O ATOM 1068 CB VAL A 62 -11.998 -1.960 -5.707 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.118 -0.925 -5.804 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.193 -2.807 -4.449 1.00 0.00 C ATOM 0 H VAL A 62 -11.078 -1.122 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.350 -3.720 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.038 -1.447 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.101 -0.287 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.973 -0.314 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.080 -1.434 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.181 -2.162 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.150 -3.326 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.388 -3.538 -4.374 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.305 -6.264 0.592 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.592 -6.088 2.061 1.00 0.00 C ATOM 1132 C GLU A 67 -12.296 -4.672 2.557 1.00 0.00 C ATOM 1133 O GLU A 67 -12.220 -3.724 1.802 1.00 0.00 O ATOM 1134 CB GLU A 67 -11.707 -7.087 2.804 1.00 0.00 C ATOM 1135 CG GLU A 67 -12.579 -7.994 3.673 1.00 0.00 C ATOM 1136 CD GLU A 67 -11.708 -9.065 4.334 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -11.447 -10.069 3.692 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -11.316 -8.862 5.472 1.00 0.00 O ATOM 0 HA GLU A 67 -13.653 -6.259 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.139 -7.685 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.984 -6.557 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.088 -7.404 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.352 -8.464 3.065 1.00 0.00 H new ATOM 1145 N GLY A 68 -12.162 -4.537 3.849 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.914 -3.210 4.461 1.00 0.00 C ATOM 1147 C GLY A 68 -10.492 -3.093 4.999 1.00 0.00 C ATOM 1148 O GLY A 68 -9.967 -2.029 5.059 1.00 0.00 O ATOM 0 H GLY A 68 -12.216 -5.308 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.088 -2.430 3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.624 -3.045 5.271 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.872 -4.150 5.426 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.489 -4.017 5.983 1.00 0.00 C ATOM 1154 C ASN A 69 -7.401 -4.244 4.916 1.00 0.00 C ATOM 1155 O ASN A 69 -7.436 -5.190 4.155 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.398 -5.081 7.074 1.00 0.00 C ATOM 1157 CG ASN A 69 -7.052 -4.962 7.793 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -6.049 -4.644 7.184 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -6.985 -5.207 9.073 1.00 0.00 N ATOM 0 H ASN A 69 -10.252 -5.096 5.417 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.318 -3.009 6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.214 -4.958 7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.503 -6.074 6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.092 -5.132 9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.825 -5.474 9.586 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.420 -3.372 4.889 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.287 -3.488 3.922 1.00 0.00 C ATOM 1168 C TYR A 70 -4.013 -2.913 4.563 1.00 0.00 C ATOM 1169 O TYR A 70 -4.076 -1.959 5.311 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.693 -2.637 2.722 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.337 -3.499 1.668 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.754 -4.717 1.304 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.509 -3.070 1.043 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.349 -5.509 0.315 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.103 -3.858 0.051 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.522 -5.079 -0.313 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.100 -5.856 -1.295 1.00 0.00 O ATOM 0 H TYR A 70 -6.359 -2.567 5.513 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.087 -4.521 3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.386 -1.857 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.817 -2.137 2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.845 -5.046 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.958 -2.129 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.902 -6.452 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.009 -3.525 -0.434 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.909 -5.414 -1.628 1.00 0.00 H new ATOM 1187 N SER A 71 -2.852 -3.467 4.295 1.00 0.00 N ATOM 1188 CA SER A 71 -1.618 -2.896 4.927 1.00 0.00 C ATOM 1189 C SER A 71 -0.466 -2.800 3.922 1.00 0.00 C ATOM 1190 O SER A 71 -0.637 -3.030 2.743 1.00 0.00 O ATOM 1191 CB SER A 71 -1.245 -3.831 6.077 1.00 0.00 C ATOM 1192 OG SER A 71 -2.170 -4.910 6.156 1.00 0.00 O ATOM 0 H SER A 71 -2.706 -4.269 3.682 1.00 0.00 H new ATOM 0 HA SER A 71 -1.807 -1.883 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.237 -4.218 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.239 -3.279 7.017 1.00 0.00 H new ATOM 0 HG SER A 71 -1.980 -5.556 5.444 1.00 0.00 H new ATOM 1198 N VAL A 72 0.708 -2.441 4.386 1.00 0.00 N ATOM 1199 CA VAL A 72 1.873 -2.309 3.450 1.00 0.00 C ATOM 1200 C VAL A 72 3.203 -2.614 4.147 1.00 0.00 C ATOM 1201 O VAL A 72 3.594 -1.958 5.082 1.00 0.00 O ATOM 1202 CB VAL A 72 1.844 -0.849 2.984 1.00 0.00 C ATOM 1203 CG1 VAL A 72 1.842 0.070 4.196 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.081 -0.538 2.131 1.00 0.00 C ATOM 0 H VAL A 72 0.910 -2.235 5.364 1.00 0.00 H new ATOM 0 HA VAL A 72 1.796 -3.017 2.625 1.00 0.00 H new ATOM 0 HB VAL A 72 0.945 -0.690 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.821 1.108 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.962 -0.134 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.741 -0.105 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.047 0.502 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.982 -0.705 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.094 -1.190 1.258 1.00 0.00 H new ATOM 1214 N VAL A 73 3.915 -3.586 3.663 1.00 0.00 N ATOM 1215 CA VAL A 73 5.232 -3.919 4.261 1.00 0.00 C ATOM 1216 C VAL A 73 6.362 -3.396 3.368 1.00 0.00 C ATOM 1217 O VAL A 73 6.690 -3.966 2.346 1.00 0.00 O ATOM 1218 CB VAL A 73 5.276 -5.451 4.377 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.292 -5.904 5.455 1.00 0.00 C ATOM 1220 CG2 VAL A 73 4.909 -6.117 3.047 1.00 0.00 C ATOM 0 H VAL A 73 3.640 -4.169 2.873 1.00 0.00 H new ATOM 0 HA VAL A 73 5.362 -3.456 5.239 1.00 0.00 H new ATOM 0 HB VAL A 73 6.291 -5.747 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.320 -6.990 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.568 -5.458 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.285 -5.587 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.949 -7.200 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.902 -5.819 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.615 -5.806 2.277 1.00 0.00 H new ATOM 1230 N VAL A 74 6.954 -2.301 3.748 1.00 0.00 N ATOM 1231 CA VAL A 74 8.062 -1.724 2.939 1.00 0.00 C ATOM 1232 C VAL A 74 9.400 -2.325 3.410 1.00 0.00 C ATOM 1233 O VAL A 74 9.577 -2.623 4.574 1.00 0.00 O ATOM 1234 CB VAL A 74 7.948 -0.199 3.194 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.212 0.383 3.849 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.704 0.508 1.861 1.00 0.00 C ATOM 0 H VAL A 74 6.717 -1.777 4.590 1.00 0.00 H new ATOM 0 HA VAL A 74 8.009 -1.941 1.872 1.00 0.00 H new ATOM 0 HB VAL A 74 7.118 -0.038 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.080 1.454 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.383 -0.106 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.070 0.215 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.622 1.582 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.536 0.308 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.780 0.138 1.417 1.00 0.00 H new ATOM 1246 N GLU A 75 10.335 -2.511 2.518 1.00 0.00 N ATOM 1247 CA GLU A 75 11.644 -3.097 2.932 1.00 0.00 C ATOM 1248 C GLU A 75 12.760 -2.641 1.986 1.00 0.00 C ATOM 1249 O GLU A 75 12.505 -2.063 0.951 1.00 0.00 O ATOM 1250 CB GLU A 75 11.442 -4.610 2.834 1.00 0.00 C ATOM 1251 CG GLU A 75 12.752 -5.328 3.163 1.00 0.00 C ATOM 1252 CD GLU A 75 12.501 -6.835 3.248 1.00 0.00 C ATOM 1253 OE1 GLU A 75 11.633 -7.228 4.011 1.00 0.00 O ATOM 1254 OE2 GLU A 75 13.181 -7.570 2.551 1.00 0.00 O ATOM 0 H GLU A 75 10.251 -2.285 1.527 1.00 0.00 H new ATOM 0 HA GLU A 75 11.937 -2.784 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.659 -4.927 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.111 -4.878 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.498 -5.115 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.152 -4.961 4.108 1.00 0.00 H new ATOM 1261 N ASN A 76 13.995 -2.895 2.333 1.00 0.00 N ATOM 1262 CA ASN A 76 15.119 -2.470 1.443 1.00 0.00 C ATOM 1263 C ASN A 76 16.370 -3.307 1.716 1.00 0.00 C ATOM 1264 O ASN A 76 16.305 -4.369 2.301 1.00 0.00 O ATOM 1265 CB ASN A 76 15.316 -0.962 1.748 1.00 0.00 C ATOM 1266 CG ASN A 76 16.581 -0.646 2.566 1.00 0.00 C ATOM 1267 OD1 ASN A 76 16.756 -1.139 3.656 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.472 0.171 2.074 1.00 0.00 N ATOM 0 H ASN A 76 14.274 -3.375 3.189 1.00 0.00 H new ATOM 0 HA ASN A 76 14.908 -2.624 0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.359 -0.415 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.445 -0.595 2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.312 0.391 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.328 0.589 1.155 1.00 0.00 H new ATOM 1275 N SER A 77 17.495 -2.807 1.283 1.00 0.00 N ATOM 1276 CA SER A 77 18.809 -3.505 1.474 1.00 0.00 C ATOM 1277 C SER A 77 18.885 -4.281 2.790 1.00 0.00 C ATOM 1278 O SER A 77 19.578 -5.273 2.885 1.00 0.00 O ATOM 1279 CB SER A 77 19.839 -2.380 1.484 1.00 0.00 C ATOM 1280 OG SER A 77 19.766 -1.693 2.728 1.00 0.00 O ATOM 0 H SER A 77 17.564 -1.917 0.789 1.00 0.00 H new ATOM 0 HA SER A 77 18.969 -4.244 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.840 -2.785 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.650 -1.690 0.662 1.00 0.00 H new ATOM 0 HG SER A 77 20.555 -1.909 3.268 1.00 0.00 H new ATOM 1286 N GLU A 78 18.199 -3.842 3.805 1.00 0.00 N ATOM 1287 CA GLU A 78 18.275 -4.590 5.102 1.00 0.00 C ATOM 1288 C GLU A 78 17.272 -4.086 6.151 1.00 0.00 C ATOM 1289 O GLU A 78 17.333 -4.480 7.298 1.00 0.00 O ATOM 1290 CB GLU A 78 19.704 -4.365 5.593 1.00 0.00 C ATOM 1291 CG GLU A 78 19.963 -2.867 5.751 1.00 0.00 C ATOM 1292 CD GLU A 78 21.438 -2.576 5.478 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.830 -2.632 4.325 1.00 0.00 O ATOM 1294 OE2 GLU A 78 22.151 -2.307 6.429 1.00 0.00 O ATOM 0 H GLU A 78 17.599 -3.017 3.802 1.00 0.00 H new ATOM 0 HA GLU A 78 18.025 -5.640 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.856 -4.873 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.414 -4.794 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.336 -2.303 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.698 -2.545 6.758 1.00 0.00 H new ATOM 1301 N GLY A 79 16.348 -3.240 5.789 1.00 0.00 N ATOM 1302 CA GLY A 79 15.362 -2.758 6.797 1.00 0.00 C ATOM 1303 C GLY A 79 13.972 -3.221 6.378 1.00 0.00 C ATOM 1304 O GLY A 79 13.597 -3.108 5.232 1.00 0.00 O ATOM 0 H GLY A 79 16.233 -2.864 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.609 -3.148 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.393 -1.671 6.867 1.00 0.00 H new ATOM 1308 N LYS A 80 13.204 -3.754 7.285 1.00 0.00 N ATOM 1309 CA LYS A 80 11.846 -4.230 6.901 1.00 0.00 C ATOM 1310 C LYS A 80 10.777 -3.638 7.826 1.00 0.00 C ATOM 1311 O LYS A 80 10.500 -4.161 8.887 1.00 0.00 O ATOM 1312 CB LYS A 80 11.903 -5.750 7.058 1.00 0.00 C ATOM 1313 CG LYS A 80 10.594 -6.365 6.560 1.00 0.00 C ATOM 1314 CD LYS A 80 9.637 -6.556 7.739 1.00 0.00 C ATOM 1315 CE LYS A 80 8.576 -7.597 7.374 1.00 0.00 C ATOM 1316 NZ LYS A 80 7.490 -6.824 6.708 1.00 0.00 N ATOM 0 H LYS A 80 13.453 -3.880 8.266 1.00 0.00 H new ATOM 0 HA LYS A 80 11.582 -3.927 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.744 -6.153 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.066 -6.012 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.139 -5.719 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.790 -7.323 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.190 -6.879 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.160 -5.609 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.983 -8.359 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.207 -8.112 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.904 -7.468 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.898 -6.364 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.908 -6.099 6.090 1.00 0.00 H new ATOM 1330 N GLN A 81 10.160 -2.562 7.419 1.00 0.00 N ATOM 1331 CA GLN A 81 9.089 -1.948 8.259 1.00 0.00 C ATOM 1332 C GLN A 81 7.781 -1.936 7.466 1.00 0.00 C ATOM 1333 O GLN A 81 7.762 -2.285 6.308 1.00 0.00 O ATOM 1334 CB GLN A 81 9.562 -0.524 8.547 1.00 0.00 C ATOM 1335 CG GLN A 81 8.612 0.128 9.552 1.00 0.00 C ATOM 1336 CD GLN A 81 9.276 1.360 10.165 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.470 1.376 10.386 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.544 2.401 10.448 1.00 0.00 N ATOM 0 H GLN A 81 10.351 -2.080 6.540 1.00 0.00 H new ATOM 0 HA GLN A 81 8.911 -2.496 9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.577 -0.539 8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.589 0.056 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.683 0.412 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.351 -0.584 10.335 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.541 2.385 10.261 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.974 3.231 10.856 1.00 0.00 H new ATOM 1347 N GLU A 82 6.689 -1.557 8.073 1.00 0.00 N ATOM 1348 CA GLU A 82 5.394 -1.549 7.323 1.00 0.00 C ATOM 1349 C GLU A 82 4.439 -0.492 7.875 1.00 0.00 C ATOM 1350 O GLU A 82 4.818 0.398 8.611 1.00 0.00 O ATOM 1351 CB GLU A 82 4.813 -2.947 7.541 1.00 0.00 C ATOM 1352 CG GLU A 82 4.572 -3.171 9.036 1.00 0.00 C ATOM 1353 CD GLU A 82 4.688 -4.663 9.353 1.00 0.00 C ATOM 1354 OE1 GLU A 82 5.511 -5.317 8.735 1.00 0.00 O ATOM 1355 OE2 GLU A 82 3.951 -5.125 10.209 1.00 0.00 O ATOM 0 H GLU A 82 6.634 -1.255 9.046 1.00 0.00 H new ATOM 0 HA GLU A 82 5.540 -1.311 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.878 -3.054 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.498 -3.702 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.298 -2.606 9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.584 -2.805 9.315 1.00 0.00 H new ATOM 1362 N ALA A 83 3.194 -0.607 7.514 1.00 0.00 N ATOM 1363 CA ALA A 83 2.161 0.349 7.983 1.00 0.00 C ATOM 1364 C ALA A 83 0.820 -0.374 7.961 1.00 0.00 C ATOM 1365 O ALA A 83 0.687 -1.402 7.327 1.00 0.00 O ATOM 1366 CB ALA A 83 2.185 1.487 6.962 1.00 0.00 C ATOM 0 H ALA A 83 2.843 -1.341 6.899 1.00 0.00 H new ATOM 0 HA ALA A 83 2.331 0.727 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.446 2.239 7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.176 1.941 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.950 1.094 5.973 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.174 0.124 8.638 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.477 -0.594 8.618 1.00 0.00 C ATOM 1374 C GLU A 84 -2.652 0.378 8.484 1.00 0.00 C ATOM 1375 O GLU A 84 -2.708 1.408 9.126 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.543 -1.339 9.950 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.349 -2.838 9.707 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.585 -3.410 9.008 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -3.081 -2.762 8.101 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -3.012 -4.487 9.389 1.00 0.00 O ATOM 0 H GLU A 84 -0.145 0.979 9.194 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.547 -1.268 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.773 -0.967 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.504 -1.159 10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.463 -3.006 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.184 -3.352 10.654 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.593 0.030 7.658 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.799 0.879 7.452 1.00 0.00 C ATOM 1389 C PHE A 85 -5.913 -0.022 6.932 1.00 0.00 C ATOM 1390 O PHE A 85 -5.748 -1.218 6.875 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.394 1.912 6.401 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.940 1.205 5.146 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.884 0.745 4.222 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.574 1.013 4.906 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.461 0.092 3.057 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -2.154 0.361 3.740 1.00 0.00 C ATOM 1397 CZ PHE A 85 -3.098 -0.099 2.817 1.00 0.00 C ATOM 0 H PHE A 85 -3.579 -0.826 7.104 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.149 1.373 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.236 2.568 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.592 2.542 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.938 0.893 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.845 1.367 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.189 -0.264 2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.100 0.213 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.773 -0.602 1.918 1.00 0.00 H new ATOM 1407 N THR A 86 -7.038 0.516 6.558 1.00 0.00 N ATOM 1408 CA THR A 86 -8.130 -0.356 6.046 1.00 0.00 C ATOM 1409 C THR A 86 -8.997 0.395 5.025 1.00 0.00 C ATOM 1410 O THR A 86 -9.534 1.448 5.304 1.00 0.00 O ATOM 1411 CB THR A 86 -8.951 -0.744 7.282 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.528 0.424 7.850 1.00 0.00 O ATOM 1413 CG2 THR A 86 -8.054 -1.427 8.317 1.00 0.00 C ATOM 0 H THR A 86 -7.249 1.514 6.584 1.00 0.00 H new ATOM 0 HA THR A 86 -7.740 -1.232 5.529 1.00 0.00 H new ATOM 0 HB THR A 86 -9.739 -1.436 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.714 1.075 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.647 -1.698 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.616 -2.326 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.259 -0.744 8.616 1.00 0.00 H new ATOM 1421 N LEU A 87 -9.160 -0.170 3.854 1.00 0.00 N ATOM 1422 CA LEU A 87 -10.016 0.463 2.815 1.00 0.00 C ATOM 1423 C LEU A 87 -11.192 -0.458 2.515 1.00 0.00 C ATOM 1424 O LEU A 87 -11.020 -1.577 2.076 1.00 0.00 O ATOM 1425 CB LEU A 87 -9.119 0.593 1.581 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.250 1.872 1.593 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -8.654 2.875 2.686 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.795 1.469 1.813 1.00 0.00 C ATOM 0 H LEU A 87 -8.730 -1.052 3.575 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.414 1.429 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.469 -0.280 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.741 0.592 0.686 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.396 2.369 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.003 3.748 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.688 3.184 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.557 2.405 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.168 2.361 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.702 0.948 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.474 0.810 1.006 1.00 0.00 H new ATOM 1440 N THR A 88 -12.382 0.002 2.757 1.00 0.00 N ATOM 1441 CA THR A 88 -13.574 -0.859 2.500 1.00 0.00 C ATOM 1442 C THR A 88 -14.276 -0.450 1.209 1.00 0.00 C ATOM 1443 O THR A 88 -13.954 0.545 0.590 1.00 0.00 O ATOM 1444 CB THR A 88 -14.502 -0.677 3.707 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.778 -0.124 4.800 1.00 0.00 O ATOM 1446 CG2 THR A 88 -15.067 -2.040 4.111 1.00 0.00 C ATOM 0 H THR A 88 -12.586 0.933 3.120 1.00 0.00 H new ATOM 0 HA THR A 88 -13.285 -1.903 2.378 1.00 0.00 H new ATOM 0 HB THR A 88 -15.314 -0.000 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.379 -0.010 5.566 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.728 -1.920 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.627 -2.463 3.277 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.248 -2.710 4.375 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.228 -1.235 0.800 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.956 -0.951 -0.463 1.00 0.00 C ATOM 1456 C ILE A 89 -17.450 -1.191 -0.275 1.00 0.00 C ATOM 1457 O ILE A 89 -18.107 -1.716 -1.150 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.388 -1.933 -1.493 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.378 -3.374 -0.912 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.980 -1.478 -1.902 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -14.213 -3.592 0.061 1.00 0.00 C ATOM 0 H ILE A 89 -15.537 -2.072 1.294 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.831 0.085 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.018 -1.944 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.320 -3.564 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.309 -4.094 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.571 -2.174 -2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.032 -0.481 -2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.335 -1.456 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.244 -4.612 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.269 -3.428 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.296 -2.891 0.891 1.00 0.00 H new