USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 569 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 33 THR OG1 : rot 29:sc= 1.67 USER MOD Set 1.2: A 59 TYR OH : rot -176:sc= 0.815 USER MOD Set 2.1: A 9 CYS SG : rot -146:sc= -1.75 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -1.65! C(o=-3.4!,f=-8.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 159:sc= -0.0903 (180deg=-0.518) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.64 (180deg=0.445) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 67 MET CE :methyl 146:sc= -2.19 (180deg=-5.13!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -152:sc= -0.0801 (180deg=-0.104) USER MOD Single : A 78 GLN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.906 X(o=-0.91,f=-0.64) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 -0.174 6.989 5.478 1.00 0.00 N ATOM 81 CA CYS A 9 -1.126 6.406 4.539 1.00 0.00 C ATOM 82 C CYS A 9 -0.475 5.295 3.723 1.00 0.00 C ATOM 83 O CYS A 9 0.468 5.535 2.969 1.00 0.00 O ATOM 84 CB CYS A 9 -1.678 7.485 3.605 1.00 0.00 C ATOM 85 SG CYS A 9 -3.164 8.308 4.225 1.00 0.00 S ATOM 0 HA CYS A 9 -1.947 5.976 5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.905 8.234 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.902 7.034 2.638 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.939 8.614 3.227 1.00 0.00 H new ATOM 91 N ARG A 10 -0.984 4.077 3.880 1.00 0.00 N ATOM 92 CA ARG A 10 -0.450 2.927 3.160 1.00 0.00 C ATOM 93 C ARG A 10 -1.576 2.082 2.572 1.00 0.00 C ATOM 94 O ARG A 10 -2.598 1.854 3.221 1.00 0.00 O ATOM 95 CB ARG A 10 0.413 2.072 4.090 1.00 0.00 C ATOM 96 CG ARG A 10 1.856 2.538 4.182 1.00 0.00 C ATOM 97 CD ARG A 10 2.587 1.865 5.334 1.00 0.00 C ATOM 98 NE ARG A 10 2.322 2.526 6.609 1.00 0.00 N ATOM 99 CZ ARG A 10 2.442 1.924 7.787 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.820 0.655 7.852 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.184 2.592 8.904 1.00 0.00 N ATOM 0 H ARG A 10 -1.765 3.861 4.499 1.00 0.00 H new ATOM 0 HA ARG A 10 0.167 3.297 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.026 2.079 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.395 1.040 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.370 2.319 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.882 3.620 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.282 0.820 5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.659 1.873 5.137 1.00 0.00 H new ATOM 0 HE ARG A 10 2.029 3.503 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.020 0.138 6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.911 0.196 8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.893 3.569 8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.276 2.129 9.808 1.00 0.00 H new ATOM 115 N LEU A 11 -1.383 1.621 1.342 1.00 0.00 N ATOM 116 CA LEU A 11 -2.382 0.801 0.666 1.00 0.00 C ATOM 117 C LEU A 11 -2.088 -0.684 0.856 1.00 0.00 C ATOM 118 O LEU A 11 -0.937 -1.113 0.786 1.00 0.00 O ATOM 119 CB LEU A 11 -2.423 1.137 -0.826 1.00 0.00 C ATOM 120 CG LEU A 11 -2.930 2.534 -1.185 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.042 2.690 -2.694 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.272 2.802 -0.519 1.00 0.00 C ATOM 0 H LEU A 11 -0.543 1.801 0.792 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.354 1.020 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.418 1.022 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.055 0.403 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.211 3.266 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.404 3.690 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.063 2.542 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.740 1.950 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.618 3.801 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.000 2.064 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.161 2.733 0.563 1.00 0.00 H new ATOM 134 N PHE A 12 -3.137 -1.464 1.095 1.00 0.00 N ATOM 135 CA PHE A 12 -2.992 -2.901 1.294 1.00 0.00 C ATOM 136 C PHE A 12 -2.991 -3.638 -0.042 1.00 0.00 C ATOM 137 O PHE A 12 -4.041 -3.835 -0.654 1.00 0.00 O ATOM 138 CB PHE A 12 -4.120 -3.431 2.181 1.00 0.00 C ATOM 139 CG PHE A 12 -4.087 -4.921 2.367 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.742 -5.758 1.478 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.400 -5.485 3.430 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.714 -7.129 1.647 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.368 -6.856 3.604 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.025 -7.679 2.710 1.00 0.00 C ATOM 0 H PHE A 12 -4.097 -1.125 1.156 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.037 -3.079 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.060 -2.950 3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.078 -3.149 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.281 -5.334 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.883 -4.846 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.231 -7.770 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.830 -7.283 4.438 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.000 -8.751 2.842 1.00 0.00 H new ATOM 154 N ILE A 13 -1.806 -4.040 -0.488 1.00 0.00 N ATOM 155 CA ILE A 13 -1.668 -4.755 -1.750 1.00 0.00 C ATOM 156 C ILE A 13 -1.586 -6.261 -1.524 1.00 0.00 C ATOM 157 O ILE A 13 -0.566 -6.776 -1.068 1.00 0.00 O ATOM 158 CB ILE A 13 -0.419 -4.295 -2.525 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.362 -2.767 -2.582 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.418 -4.884 -3.927 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.505 -2.149 -3.356 1.00 0.00 C ATOM 0 H ILE A 13 -0.928 -3.883 0.006 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.556 -4.527 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 13 0.468 -4.654 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.367 -2.373 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.581 -2.463 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.471 -4.549 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.416 -5.972 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.309 -4.553 -4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.400 -1.064 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.489 -2.514 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.451 -2.423 -2.889 1.00 0.00 H new ATOM 173 N GLY A 14 -2.668 -6.963 -1.847 1.00 0.00 N ATOM 174 CA GLY A 14 -2.698 -8.403 -1.673 1.00 0.00 C ATOM 175 C GLY A 14 -2.848 -9.143 -2.988 1.00 0.00 C ATOM 176 O GLY A 14 -3.489 -8.650 -3.915 1.00 0.00 O ATOM 0 H GLY A 14 -3.525 -6.560 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.781 -8.726 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.524 -8.669 -1.014 1.00 0.00 H new ATOM 180 N GLY A 15 -2.255 -10.330 -3.068 1.00 0.00 N ATOM 181 CA GLY A 15 -2.337 -11.119 -4.284 1.00 0.00 C ATOM 182 C GLY A 15 -1.117 -10.950 -5.168 1.00 0.00 C ATOM 183 O GLY A 15 -1.216 -11.020 -6.393 1.00 0.00 O ATOM 0 H GLY A 15 -1.720 -10.759 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.450 -12.171 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.228 -10.831 -4.841 1.00 0.00 H new ATOM 187 N ILE A 16 0.035 -10.725 -4.546 1.00 0.00 N ATOM 188 CA ILE A 16 1.279 -10.545 -5.286 1.00 0.00 C ATOM 189 C ILE A 16 2.167 -11.780 -5.177 1.00 0.00 C ATOM 190 O ILE A 16 2.127 -12.520 -4.193 1.00 0.00 O ATOM 191 CB ILE A 16 2.061 -9.318 -4.781 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.478 -9.517 -3.322 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.223 -8.057 -4.931 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.564 -8.566 -2.869 1.00 0.00 C ATOM 0 H ILE A 16 0.134 -10.663 -3.533 1.00 0.00 H new ATOM 0 HA ILE A 16 1.006 -10.388 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 16 2.962 -9.206 -5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.605 -9.390 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.824 -10.542 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.789 -7.199 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.972 -7.910 -5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.307 -8.158 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.809 -8.764 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.452 -8.709 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.214 -7.539 -2.970 1.00 0.00 H new ATOM 206 N PRO A 17 2.991 -12.009 -6.210 1.00 0.00 N ATOM 207 CA PRO A 17 3.907 -13.153 -6.254 1.00 0.00 C ATOM 208 C PRO A 17 5.045 -13.022 -5.248 1.00 0.00 C ATOM 209 O PRO A 17 5.720 -11.994 -5.189 1.00 0.00 O ATOM 210 CB PRO A 17 4.450 -13.118 -7.685 1.00 0.00 C ATOM 211 CG PRO A 17 4.321 -11.694 -8.104 1.00 0.00 C ATOM 212 CD PRO A 17 3.091 -11.169 -7.416 1.00 0.00 C ATOM 0 HA PRO A 17 3.407 -14.087 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.488 -13.449 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.881 -13.777 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.203 -11.121 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.227 -11.613 -9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.191 -10.113 -7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.207 -11.263 -8.046 1.00 0.00 H new ATOM 220 N LYS A 18 5.255 -14.070 -4.459 1.00 0.00 N ATOM 221 CA LYS A 18 6.314 -14.074 -3.457 1.00 0.00 C ATOM 222 C LYS A 18 7.677 -13.846 -4.103 1.00 0.00 C ATOM 223 O LYS A 18 8.417 -12.945 -3.711 1.00 0.00 O ATOM 224 CB LYS A 18 6.316 -15.400 -2.692 1.00 0.00 C ATOM 225 CG LYS A 18 4.972 -15.748 -2.075 1.00 0.00 C ATOM 226 CD LYS A 18 4.859 -17.236 -1.789 1.00 0.00 C ATOM 227 CE LYS A 18 3.517 -17.582 -1.161 1.00 0.00 C ATOM 228 NZ LYS A 18 3.613 -18.770 -0.269 1.00 0.00 N ATOM 0 H LYS A 18 4.705 -14.928 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 18 6.122 -13.259 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.614 -16.200 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.067 -15.354 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.839 -15.187 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.171 -15.444 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.984 -17.796 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.664 -17.542 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.152 -16.728 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.787 -17.776 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.679 -18.974 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.937 -19.591 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.290 -18.576 0.496 1.00 0.00 H new ATOM 242 N MET A 19 8.000 -14.667 -5.097 1.00 0.00 N ATOM 243 CA MET A 19 9.272 -14.552 -5.800 1.00 0.00 C ATOM 244 C MET A 19 9.687 -13.091 -5.938 1.00 0.00 C ATOM 245 O MET A 19 10.860 -12.750 -5.781 1.00 0.00 O ATOM 246 CB MET A 19 9.177 -15.200 -7.182 1.00 0.00 C ATOM 247 CG MET A 19 8.137 -14.556 -8.085 1.00 0.00 C ATOM 248 SD MET A 19 7.874 -15.479 -9.611 1.00 0.00 S ATOM 249 CE MET A 19 7.069 -16.951 -8.983 1.00 0.00 C ATOM 0 H MET A 19 7.398 -15.419 -5.434 1.00 0.00 H new ATOM 0 HA MET A 19 10.030 -15.073 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.151 -15.146 -7.667 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.939 -16.257 -7.063 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.193 -14.476 -7.546 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.452 -13.541 -8.329 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.518 -17.436 -9.789 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.820 -17.638 -8.592 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.379 -16.676 -8.186 1.00 0.00 H new ATOM 259 N LYS A 20 8.718 -12.231 -6.233 1.00 0.00 N ATOM 260 CA LYS A 20 8.981 -10.806 -6.392 1.00 0.00 C ATOM 261 C LYS A 20 9.453 -10.190 -5.078 1.00 0.00 C ATOM 262 O LYS A 20 9.104 -10.665 -3.997 1.00 0.00 O ATOM 263 CB LYS A 20 7.724 -10.085 -6.883 1.00 0.00 C ATOM 264 CG LYS A 20 7.614 -10.016 -8.396 1.00 0.00 C ATOM 265 CD LYS A 20 7.618 -11.401 -9.020 1.00 0.00 C ATOM 266 CE LYS A 20 6.949 -11.399 -10.386 1.00 0.00 C ATOM 267 NZ LYS A 20 7.447 -12.506 -11.249 1.00 0.00 N ATOM 0 H LYS A 20 7.742 -12.497 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 20 9.772 -10.689 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.845 -10.593 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.715 -9.072 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.697 -9.495 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.444 -9.434 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.645 -11.755 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.101 -12.099 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.870 -11.492 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.132 -10.444 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.770 -12.677 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.370 -12.244 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.550 -13.370 -10.680 1.00 0.00 H new ATOM 281 N LYS A 21 10.246 -9.129 -5.179 1.00 0.00 N ATOM 282 CA LYS A 21 10.763 -8.445 -3.999 1.00 0.00 C ATOM 283 C LYS A 21 10.129 -7.066 -3.848 1.00 0.00 C ATOM 284 O LYS A 21 9.286 -6.668 -4.652 1.00 0.00 O ATOM 285 CB LYS A 21 12.285 -8.311 -4.089 1.00 0.00 C ATOM 286 CG LYS A 21 13.031 -9.572 -3.689 1.00 0.00 C ATOM 287 CD LYS A 21 13.266 -10.483 -4.882 1.00 0.00 C ATOM 288 CE LYS A 21 14.509 -10.076 -5.658 1.00 0.00 C ATOM 289 NZ LYS A 21 15.740 -10.702 -5.102 1.00 0.00 N ATOM 0 H LYS A 21 10.545 -8.724 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 21 10.507 -9.041 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.558 -8.046 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.608 -7.490 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.988 -9.303 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.462 -10.107 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.370 -11.513 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.398 -10.452 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.395 -10.364 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.612 -8.991 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.565 -10.400 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.863 -10.407 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.653 -11.737 -5.146 1.00 0.00 H new ATOM 303 N ARG A 22 10.541 -6.341 -2.813 1.00 0.00 N ATOM 304 CA ARG A 22 10.013 -5.006 -2.557 1.00 0.00 C ATOM 305 C ARG A 22 10.476 -4.024 -3.628 1.00 0.00 C ATOM 306 O ARG A 22 9.681 -3.247 -4.156 1.00 0.00 O ATOM 307 CB ARG A 22 10.453 -4.517 -1.176 1.00 0.00 C ATOM 308 CG ARG A 22 11.945 -4.242 -1.074 1.00 0.00 C ATOM 309 CD ARG A 22 12.354 -3.912 0.353 1.00 0.00 C ATOM 310 NE ARG A 22 13.789 -4.087 0.565 1.00 0.00 N ATOM 311 CZ ARG A 22 14.445 -3.584 1.605 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.798 -2.879 2.522 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.750 -3.787 1.728 1.00 0.00 N ATOM 0 H ARG A 22 11.238 -6.655 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 22 8.925 -5.061 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.907 -3.606 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.178 -5.263 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.501 -5.113 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.209 -3.413 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.077 -2.883 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.805 -4.551 1.045 1.00 0.00 H new ATOM 0 HE ARG A 22 14.316 -4.625 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.794 -2.722 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.304 -2.494 3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.250 -4.329 1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.253 -3.401 2.527 1.00 0.00 H new ATOM 327 N GLU A 23 11.767 -4.064 -3.943 1.00 0.00 N ATOM 328 CA GLU A 23 12.335 -3.176 -4.950 1.00 0.00 C ATOM 329 C GLU A 23 11.533 -3.240 -6.247 1.00 0.00 C ATOM 330 O GLU A 23 11.344 -2.229 -6.922 1.00 0.00 O ATOM 331 CB GLU A 23 13.795 -3.545 -5.222 1.00 0.00 C ATOM 332 CG GLU A 23 13.980 -4.964 -5.732 1.00 0.00 C ATOM 333 CD GLU A 23 15.428 -5.289 -6.040 1.00 0.00 C ATOM 334 OE1 GLU A 23 15.953 -4.764 -7.044 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.037 -6.069 -5.278 1.00 0.00 O ATOM 0 H GLU A 23 12.439 -4.702 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 23 12.290 -2.157 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.207 -2.849 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.369 -3.420 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.605 -5.666 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.381 -5.104 -6.632 1.00 0.00 H new ATOM 342 N GLU A 24 11.065 -4.437 -6.587 1.00 0.00 N ATOM 343 CA GLU A 24 10.285 -4.633 -7.804 1.00 0.00 C ATOM 344 C GLU A 24 8.868 -4.093 -7.634 1.00 0.00 C ATOM 345 O GLU A 24 8.374 -3.342 -8.475 1.00 0.00 O ATOM 346 CB GLU A 24 10.236 -6.117 -8.171 1.00 0.00 C ATOM 347 CG GLU A 24 11.607 -6.735 -8.391 1.00 0.00 C ATOM 348 CD GLU A 24 12.387 -6.046 -9.494 1.00 0.00 C ATOM 349 OE1 GLU A 24 13.073 -5.046 -9.200 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.310 -6.508 -10.652 1.00 0.00 O ATOM 0 H GLU A 24 11.212 -5.284 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 24 10.771 -4.083 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.724 -6.662 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.642 -6.239 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.177 -6.686 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.490 -7.790 -8.638 1.00 0.00 H new ATOM 357 N ILE A 25 8.220 -4.481 -6.541 1.00 0.00 N ATOM 358 CA ILE A 25 6.860 -4.036 -6.261 1.00 0.00 C ATOM 359 C ILE A 25 6.766 -2.515 -6.275 1.00 0.00 C ATOM 360 O ILE A 25 5.844 -1.944 -6.859 1.00 0.00 O ATOM 361 CB ILE A 25 6.368 -4.557 -4.898 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.416 -6.086 -4.863 1.00 0.00 C ATOM 363 CG2 ILE A 25 4.957 -4.060 -4.619 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.654 -6.652 -3.481 1.00 0.00 C ATOM 0 H ILE A 25 8.614 -5.102 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 25 6.225 -4.444 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 25 7.028 -4.174 -4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.477 -6.480 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.206 -6.432 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.623 -4.437 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.951 -2.970 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.285 -4.417 -5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.676 -7.741 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.607 -6.288 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.851 -6.336 -2.815 1.00 0.00 H new ATOM 376 N LEU A 26 7.727 -1.862 -5.631 1.00 0.00 N ATOM 377 CA LEU A 26 7.755 -0.404 -5.571 1.00 0.00 C ATOM 378 C LEU A 26 7.692 0.200 -6.970 1.00 0.00 C ATOM 379 O LEU A 26 6.810 1.003 -7.270 1.00 0.00 O ATOM 380 CB LEU A 26 9.019 0.072 -4.853 1.00 0.00 C ATOM 381 CG LEU A 26 9.353 1.557 -4.998 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.697 2.363 -3.888 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.860 1.768 -4.993 1.00 0.00 C ATOM 0 H LEU A 26 8.497 -2.319 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 26 6.880 -0.071 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.918 -0.155 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.864 -0.508 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 26 8.960 1.906 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.946 3.417 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.615 2.238 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.059 2.012 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.079 2.831 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.275 1.402 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.307 1.222 -5.824 1.00 0.00 H new ATOM 395 N GLU A 27 8.633 -0.195 -7.822 1.00 0.00 N ATOM 396 CA GLU A 27 8.683 0.307 -9.190 1.00 0.00 C ATOM 397 C GLU A 27 7.410 -0.057 -9.950 1.00 0.00 C ATOM 398 O GLU A 27 6.876 0.751 -10.709 1.00 0.00 O ATOM 399 CB GLU A 27 9.904 -0.257 -9.920 1.00 0.00 C ATOM 400 CG GLU A 27 10.445 0.664 -11.001 1.00 0.00 C ATOM 401 CD GLU A 27 11.207 1.846 -10.433 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.989 1.646 -9.481 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.020 2.971 -10.943 1.00 0.00 O ATOM 0 H GLU A 27 9.370 -0.860 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 27 8.763 1.393 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.693 -0.454 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.639 -1.214 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.101 0.097 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.618 1.029 -11.610 1.00 0.00 H new ATOM 410 N GLU A 28 6.932 -1.280 -9.740 1.00 0.00 N ATOM 411 CA GLU A 28 5.723 -1.751 -10.406 1.00 0.00 C ATOM 412 C GLU A 28 4.499 -0.978 -9.924 1.00 0.00 C ATOM 413 O GLU A 28 3.453 -0.983 -10.574 1.00 0.00 O ATOM 414 CB GLU A 28 5.527 -3.248 -10.155 1.00 0.00 C ATOM 415 CG GLU A 28 6.190 -4.132 -11.197 1.00 0.00 C ATOM 416 CD GLU A 28 5.899 -3.682 -12.615 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.719 -3.416 -12.924 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.853 -3.595 -13.417 1.00 0.00 O ATOM 0 H GLU A 28 7.363 -1.961 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 28 5.839 -1.581 -11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.926 -3.498 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.459 -3.467 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.268 -4.133 -11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.847 -5.159 -11.068 1.00 0.00 H new ATOM 425 N ILE A 29 4.638 -0.316 -8.781 1.00 0.00 N ATOM 426 CA ILE A 29 3.544 0.462 -8.212 1.00 0.00 C ATOM 427 C ILE A 29 3.672 1.937 -8.576 1.00 0.00 C ATOM 428 O ILE A 29 2.676 2.608 -8.847 1.00 0.00 O ATOM 429 CB ILE A 29 3.495 0.326 -6.678 1.00 0.00 C ATOM 430 CG1 ILE A 29 2.918 -1.035 -6.284 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.671 1.452 -6.073 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.574 -1.328 -6.913 1.00 0.00 C ATOM 0 H ILE A 29 5.497 -0.302 -8.231 1.00 0.00 H new ATOM 0 HA ILE A 29 2.621 0.064 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 29 4.511 0.396 -6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.622 -1.816 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.819 -1.078 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.646 1.342 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.121 2.411 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.655 1.411 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.227 -2.309 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.855 -0.569 -6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.670 -1.318 -7.999 1.00 0.00 H new ATOM 444 N ALA A 30 4.904 2.436 -8.581 1.00 0.00 N ATOM 445 CA ALA A 30 5.162 3.831 -8.916 1.00 0.00 C ATOM 446 C ALA A 30 4.622 4.172 -10.301 1.00 0.00 C ATOM 447 O ALA A 30 4.565 5.340 -10.687 1.00 0.00 O ATOM 448 CB ALA A 30 6.653 4.124 -8.842 1.00 0.00 C ATOM 0 H ALA A 30 5.739 1.895 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 30 4.643 4.456 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.831 5.169 -9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.013 3.928 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.185 3.485 -9.547 1.00 0.00 H new ATOM 454 N LYS A 31 4.226 3.145 -11.046 1.00 0.00 N ATOM 455 CA LYS A 31 3.690 3.335 -12.388 1.00 0.00 C ATOM 456 C LYS A 31 2.166 3.270 -12.380 1.00 0.00 C ATOM 457 O LYS A 31 1.494 4.124 -12.958 1.00 0.00 O ATOM 458 CB LYS A 31 4.251 2.276 -13.339 1.00 0.00 C ATOM 459 CG LYS A 31 4.304 0.883 -12.734 1.00 0.00 C ATOM 460 CD LYS A 31 4.857 -0.132 -13.720 1.00 0.00 C ATOM 461 CE LYS A 31 6.368 -0.020 -13.848 1.00 0.00 C ATOM 462 NZ LYS A 31 6.871 -0.676 -15.086 1.00 0.00 N ATOM 0 H LYS A 31 4.266 2.172 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 31 3.992 4.323 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.639 2.249 -14.241 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.256 2.569 -13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.925 0.898 -11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.304 0.582 -12.423 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.592 -1.138 -13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.396 0.019 -14.696 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.655 1.032 -13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.841 -0.476 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.905 -0.577 -15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.620 -1.685 -15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.440 -0.225 -15.918 1.00 0.00 H new ATOM 476 N VAL A 32 1.625 2.251 -11.719 1.00 0.00 N ATOM 477 CA VAL A 32 0.180 2.075 -11.632 1.00 0.00 C ATOM 478 C VAL A 32 -0.447 3.127 -10.724 1.00 0.00 C ATOM 479 O VAL A 32 -1.618 3.478 -10.878 1.00 0.00 O ATOM 480 CB VAL A 32 -0.184 0.674 -11.107 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.297 -0.400 -12.070 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.399 0.458 -9.719 1.00 0.00 C ATOM 0 H VAL A 32 2.166 1.534 -11.236 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.215 2.189 -12.641 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.269 0.603 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.030 -1.383 -11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.174 -0.254 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.380 -0.334 -12.178 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.132 -0.537 -9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.484 0.549 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.001 1.207 -9.036 1.00 0.00 H new ATOM 492 N THR A 33 0.338 3.626 -9.775 1.00 0.00 N ATOM 493 CA THR A 33 -0.140 4.637 -8.841 1.00 0.00 C ATOM 494 C THR A 33 0.950 5.656 -8.527 1.00 0.00 C ATOM 495 O THR A 33 1.951 5.331 -7.892 1.00 0.00 O ATOM 496 CB THR A 33 -0.626 4.001 -7.525 1.00 0.00 C ATOM 497 OG1 THR A 33 0.483 3.441 -6.813 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.659 2.918 -7.796 1.00 0.00 C ATOM 0 H THR A 33 1.309 3.346 -9.633 1.00 0.00 H new ATOM 0 HA THR A 33 -0.977 5.142 -9.323 1.00 0.00 H new ATOM 0 HB THR A 33 -1.090 4.780 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.298 3.940 -7.032 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.987 2.484 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.515 3.353 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.216 2.140 -8.419 1.00 0.00 H new ATOM 506 N GLU A 34 0.746 6.891 -8.977 1.00 0.00 N ATOM 507 CA GLU A 34 1.713 7.957 -8.744 1.00 0.00 C ATOM 508 C GLU A 34 1.469 8.628 -7.396 1.00 0.00 C ATOM 509 O GLU A 34 0.333 8.948 -7.047 1.00 0.00 O ATOM 510 CB GLU A 34 1.640 8.996 -9.864 1.00 0.00 C ATOM 511 CG GLU A 34 2.971 9.665 -10.163 1.00 0.00 C ATOM 512 CD GLU A 34 2.810 11.002 -10.859 1.00 0.00 C ATOM 513 OE1 GLU A 34 1.853 11.733 -10.527 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.640 11.318 -11.737 1.00 0.00 O ATOM 0 H GLU A 34 -0.079 7.177 -9.504 1.00 0.00 H new ATOM 0 HA GLU A 34 2.709 7.513 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.273 8.515 -10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.912 9.760 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.518 9.809 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.573 9.005 -10.788 1.00 0.00 H new ATOM 521 N GLY A 35 2.543 8.836 -6.641 1.00 0.00 N ATOM 522 CA GLY A 35 2.425 9.467 -5.339 1.00 0.00 C ATOM 523 C GLY A 35 2.952 8.591 -4.220 1.00 0.00 C ATOM 524 O GLY A 35 2.800 8.917 -3.043 1.00 0.00 O ATOM 0 H GLY A 35 3.493 8.579 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.971 10.411 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.379 9.705 -5.148 1.00 0.00 H new ATOM 528 N VAL A 36 3.571 7.473 -4.588 1.00 0.00 N ATOM 529 CA VAL A 36 4.122 6.547 -3.606 1.00 0.00 C ATOM 530 C VAL A 36 5.436 7.067 -3.036 1.00 0.00 C ATOM 531 O VAL A 36 6.097 7.912 -3.641 1.00 0.00 O ATOM 532 CB VAL A 36 4.356 5.153 -4.219 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.237 4.800 -5.187 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.709 5.098 -4.913 1.00 0.00 C ATOM 0 H VAL A 36 3.703 7.187 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 36 3.389 6.465 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 36 4.354 4.417 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.420 3.812 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.285 4.797 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.204 5.537 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.859 4.107 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.741 5.844 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.498 5.304 -4.189 1.00 0.00 H new ATOM 544 N LEU A 37 5.811 6.557 -1.868 1.00 0.00 N ATOM 545 CA LEU A 37 7.049 6.970 -1.215 1.00 0.00 C ATOM 546 C LEU A 37 7.978 5.778 -1.006 1.00 0.00 C ATOM 547 O LEU A 37 9.161 5.834 -1.343 1.00 0.00 O ATOM 548 CB LEU A 37 6.743 7.633 0.129 1.00 0.00 C ATOM 549 CG LEU A 37 7.728 8.709 0.586 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.763 9.859 -0.409 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.361 9.214 1.974 1.00 0.00 C ATOM 0 H LEU A 37 5.276 5.857 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 37 7.550 7.689 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.749 8.078 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.703 6.857 0.893 1.00 0.00 H new ATOM 0 HG LEU A 37 8.723 8.266 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.470 10.615 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.075 9.486 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.770 10.301 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.073 9.979 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.358 9.639 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.389 8.386 2.682 1.00 0.00 H new ATOM 563 N ASP A 38 7.434 4.700 -0.452 1.00 0.00 N ATOM 564 CA ASP A 38 8.213 3.493 -0.202 1.00 0.00 C ATOM 565 C ASP A 38 7.300 2.287 -0.006 1.00 0.00 C ATOM 566 O ASP A 38 6.187 2.415 0.504 1.00 0.00 O ATOM 567 CB ASP A 38 9.102 3.680 1.029 1.00 0.00 C ATOM 568 CG ASP A 38 10.098 2.550 1.201 1.00 0.00 C ATOM 569 OD1 ASP A 38 9.738 1.534 1.832 1.00 0.00 O ATOM 570 OD2 ASP A 38 11.237 2.681 0.706 1.00 0.00 O ATOM 0 H ASP A 38 6.456 4.637 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 38 8.843 3.311 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.640 4.625 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.476 3.747 1.919 1.00 0.00 H new ATOM 575 N VAL A 39 7.777 1.117 -0.417 1.00 0.00 N ATOM 576 CA VAL A 39 7.004 -0.112 -0.288 1.00 0.00 C ATOM 577 C VAL A 39 7.627 -1.048 0.742 1.00 0.00 C ATOM 578 O VAL A 39 8.839 -1.268 0.742 1.00 0.00 O ATOM 579 CB VAL A 39 6.893 -0.850 -1.635 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.226 -2.205 -1.449 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.130 -0.005 -2.644 1.00 0.00 C ATOM 0 H VAL A 39 8.696 0.994 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 39 6.006 0.176 0.043 1.00 0.00 H new ATOM 0 HB VAL A 39 7.898 -1.017 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.156 -2.712 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.818 -2.811 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.226 -2.065 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.061 -0.542 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.127 0.195 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.654 0.938 -2.799 1.00 0.00 H new ATOM 591 N ILE A 40 6.792 -1.596 1.617 1.00 0.00 N ATOM 592 CA ILE A 40 7.261 -2.510 2.652 1.00 0.00 C ATOM 593 C ILE A 40 6.835 -3.943 2.354 1.00 0.00 C ATOM 594 O ILE A 40 5.740 -4.184 1.845 1.00 0.00 O ATOM 595 CB ILE A 40 6.731 -2.107 4.041 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.118 -0.661 4.359 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.268 -3.051 5.106 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.118 0.356 3.857 1.00 0.00 C ATOM 0 H ILE A 40 5.787 -1.423 1.631 1.00 0.00 H new ATOM 0 HA ILE A 40 8.349 -2.451 2.656 1.00 0.00 H new ATOM 0 HB ILE A 40 5.643 -2.179 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.225 -0.551 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.092 -0.449 3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.885 -2.754 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.947 -4.069 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.357 -3.008 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.457 1.359 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.028 0.274 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.148 0.170 4.317 1.00 0.00 H new ATOM 806 N PHE A 54 1.926 -10.640 0.119 1.00 0.00 N ATOM 807 CA PHE A 54 1.368 -9.293 0.141 1.00 0.00 C ATOM 808 C PHE A 54 2.466 -8.252 0.337 1.00 0.00 C ATOM 809 O PHE A 54 3.606 -8.589 0.656 1.00 0.00 O ATOM 810 CB PHE A 54 0.326 -9.167 1.254 1.00 0.00 C ATOM 811 CG PHE A 54 0.213 -7.779 1.816 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.171 -7.291 2.691 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.850 -6.961 1.468 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.069 -6.014 3.209 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.957 -5.682 1.983 1.00 0.00 C ATOM 816 CZ PHE A 54 0.004 -5.208 2.854 1.00 0.00 C ATOM 0 HA PHE A 54 0.887 -9.111 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.646 -9.474 0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.581 -9.856 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.006 -7.916 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.604 -7.327 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.821 -5.646 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.791 -5.055 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.077 -4.209 3.257 1.00 0.00 H new ATOM 826 N ALA A 55 2.114 -6.985 0.143 1.00 0.00 N ATOM 827 CA ALA A 55 3.068 -5.895 0.299 1.00 0.00 C ATOM 828 C ALA A 55 2.358 -4.587 0.632 1.00 0.00 C ATOM 829 O ALA A 55 1.193 -4.396 0.284 1.00 0.00 O ATOM 830 CB ALA A 55 3.902 -5.738 -0.964 1.00 0.00 C ATOM 0 H ALA A 55 1.175 -6.689 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 55 3.729 -6.141 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.610 -4.920 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.447 -6.662 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.247 -5.519 -1.808 1.00 0.00 H new ATOM 836 N PHE A 56 3.067 -3.689 1.309 1.00 0.00 N ATOM 837 CA PHE A 56 2.503 -2.400 1.690 1.00 0.00 C ATOM 838 C PHE A 56 3.096 -1.276 0.846 1.00 0.00 C ATOM 839 O PHE A 56 4.255 -1.338 0.435 1.00 0.00 O ATOM 840 CB PHE A 56 2.757 -2.127 3.174 1.00 0.00 C ATOM 841 CG PHE A 56 1.641 -2.587 4.068 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.380 -2.022 3.970 1.00 0.00 C ATOM 843 CD2 PHE A 56 1.854 -3.584 5.006 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.649 -2.443 4.791 1.00 0.00 C ATOM 845 CE2 PHE A 56 0.828 -4.010 5.829 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.424 -3.438 5.723 1.00 0.00 C ATOM 0 H PHE A 56 4.033 -3.831 1.605 1.00 0.00 H new ATOM 0 HA PHE A 56 1.428 -2.435 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.680 -2.623 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.909 -1.057 3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.199 -1.244 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.832 -4.033 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.628 -1.995 4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.006 -4.790 6.555 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.226 -3.768 6.367 1.00 0.00 H new ATOM 856 N VAL A 57 2.292 -0.248 0.590 1.00 0.00 N ATOM 857 CA VAL A 57 2.736 0.890 -0.205 1.00 0.00 C ATOM 858 C VAL A 57 2.423 2.207 0.498 1.00 0.00 C ATOM 859 O VAL A 57 1.267 2.624 0.567 1.00 0.00 O ATOM 860 CB VAL A 57 2.077 0.895 -1.597 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.780 1.881 -2.518 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.086 -0.504 -2.194 1.00 0.00 C ATOM 0 H VAL A 57 1.330 -0.181 0.922 1.00 0.00 H new ATOM 0 HA VAL A 57 3.815 0.791 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 57 1.040 1.213 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.300 1.870 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.717 2.883 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.827 1.597 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.617 -0.483 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.114 -0.852 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.533 -1.181 -1.543 1.00 0.00 H new ATOM 872 N GLU A 58 3.460 2.856 1.017 1.00 0.00 N ATOM 873 CA GLU A 58 3.294 4.125 1.715 1.00 0.00 C ATOM 874 C GLU A 58 3.259 5.289 0.727 1.00 0.00 C ATOM 875 O GLU A 58 4.202 5.496 -0.037 1.00 0.00 O ATOM 876 CB GLU A 58 4.427 4.331 2.722 1.00 0.00 C ATOM 877 CG GLU A 58 4.038 5.197 3.908 1.00 0.00 C ATOM 878 CD GLU A 58 5.220 5.938 4.502 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.020 6.498 3.724 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.344 5.959 5.745 1.00 0.00 O ATOM 0 H GLU A 58 4.423 2.524 0.967 1.00 0.00 H new ATOM 0 HA GLU A 58 2.344 4.095 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.759 3.359 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.276 4.787 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.283 5.918 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.583 4.572 4.676 1.00 0.00 H new ATOM 887 N TYR A 59 2.167 6.043 0.750 1.00 0.00 N ATOM 888 CA TYR A 59 2.007 7.184 -0.144 1.00 0.00 C ATOM 889 C TYR A 59 2.202 8.497 0.607 1.00 0.00 C ATOM 890 O TYR A 59 1.561 8.740 1.629 1.00 0.00 O ATOM 891 CB TYR A 59 0.623 7.157 -0.797 1.00 0.00 C ATOM 892 CG TYR A 59 0.435 6.016 -1.771 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.093 4.745 -1.326 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.599 6.209 -3.137 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.079 3.700 -2.212 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.428 5.170 -4.031 1.00 0.00 C ATOM 897 CZ TYR A 59 0.089 3.917 -3.564 1.00 0.00 C ATOM 898 OH TYR A 59 -0.083 2.879 -4.450 1.00 0.00 O ATOM 0 H TYR A 59 1.379 5.885 1.378 1.00 0.00 H new ATOM 0 HA TYR A 59 2.769 7.114 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.136 7.087 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.458 8.100 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.041 4.571 -0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.865 7.188 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.344 2.718 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.559 5.338 -5.090 1.00 0.00 H new ATOM 0 HH TYR A 59 0.127 3.185 -5.357 1.00 0.00 H new ATOM 908 N GLU A 60 3.091 9.340 0.092 1.00 0.00 N ATOM 909 CA GLU A 60 3.371 10.629 0.714 1.00 0.00 C ATOM 910 C GLU A 60 2.093 11.449 0.864 1.00 0.00 C ATOM 911 O GLU A 60 1.825 12.011 1.926 1.00 0.00 O ATOM 912 CB GLU A 60 4.395 11.408 -0.114 1.00 0.00 C ATOM 913 CG GLU A 60 3.952 11.667 -1.544 1.00 0.00 C ATOM 914 CD GLU A 60 4.959 12.486 -2.328 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.644 13.330 -1.712 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.063 12.284 -3.555 1.00 0.00 O ATOM 0 H GLU A 60 3.630 9.154 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 60 3.782 10.443 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.594 12.362 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.334 10.855 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.792 10.714 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.994 12.187 -1.535 1.00 0.00 H new ATOM 923 N SER A 61 1.308 11.513 -0.206 1.00 0.00 N ATOM 924 CA SER A 61 0.060 12.267 -0.196 1.00 0.00 C ATOM 925 C SER A 61 -1.105 11.385 0.243 1.00 0.00 C ATOM 926 O SER A 61 -1.411 10.378 -0.397 1.00 0.00 O ATOM 927 CB SER A 61 -0.220 12.850 -1.582 1.00 0.00 C ATOM 928 OG SER A 61 -1.573 13.256 -1.701 1.00 0.00 O ATOM 0 H SER A 61 1.514 11.051 -1.092 1.00 0.00 H new ATOM 0 HA SER A 61 0.164 13.083 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.436 13.702 -1.761 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.008 12.106 -2.346 1.00 0.00 H new ATOM 0 HG SER A 61 -1.726 13.626 -2.595 1.00 0.00 H new ATOM 934 N HIS A 62 -1.751 11.770 1.339 1.00 0.00 N ATOM 935 CA HIS A 62 -2.883 11.015 1.864 1.00 0.00 C ATOM 936 C HIS A 62 -3.831 10.606 0.741 1.00 0.00 C ATOM 937 O HIS A 62 -4.425 9.529 0.779 1.00 0.00 O ATOM 938 CB HIS A 62 -3.636 11.843 2.906 1.00 0.00 C ATOM 939 CG HIS A 62 -4.697 11.073 3.630 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.581 10.229 2.993 1.00 0.00 N ATOM 941 CD2 HIS A 62 -5.011 11.022 4.946 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.395 9.693 3.885 1.00 0.00 C ATOM 943 NE2 HIS A 62 -6.070 10.157 5.078 1.00 0.00 N ATOM 0 H HIS A 62 -1.510 12.600 1.881 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.498 10.112 2.337 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.923 12.234 3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.093 12.702 2.414 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.603 10.047 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.520 11.561 5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.191 8.994 3.674 1.00 0.00 H new ATOM 951 N ARG A 63 -3.968 11.474 -0.257 1.00 0.00 N ATOM 952 CA ARG A 63 -4.846 11.203 -1.389 1.00 0.00 C ATOM 953 C ARG A 63 -4.179 10.252 -2.379 1.00 0.00 C ATOM 954 O ARG A 63 -4.819 9.348 -2.913 1.00 0.00 O ATOM 955 CB ARG A 63 -5.221 12.508 -2.094 1.00 0.00 C ATOM 956 CG ARG A 63 -6.094 12.308 -3.322 1.00 0.00 C ATOM 957 CD ARG A 63 -7.569 12.266 -2.957 1.00 0.00 C ATOM 958 NE ARG A 63 -8.077 13.582 -2.578 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.370 13.884 -2.528 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.280 12.968 -2.829 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.754 15.104 -2.174 1.00 0.00 N ATOM 0 H ARG A 63 -3.483 12.370 -0.304 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.751 10.729 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.743 13.155 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.309 13.027 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.917 13.117 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.815 11.380 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.141 11.887 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.719 11.569 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.402 14.309 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.988 12.029 -3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.272 13.202 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.056 15.810 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.747 15.335 -2.136 1.00 0.00 H new ATOM 975 N ALA A 64 -2.889 10.464 -2.618 1.00 0.00 N ATOM 976 CA ALA A 64 -2.135 9.626 -3.541 1.00 0.00 C ATOM 977 C ALA A 64 -2.477 8.152 -3.349 1.00 0.00 C ATOM 978 O ALA A 64 -2.365 7.353 -4.278 1.00 0.00 O ATOM 979 CB ALA A 64 -0.641 9.851 -3.359 1.00 0.00 C ATOM 0 H ALA A 64 -2.344 11.210 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.412 9.907 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.090 9.218 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.404 10.897 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.357 9.599 -2.337 1.00 0.00 H new ATOM 985 N ALA A 65 -2.893 7.800 -2.137 1.00 0.00 N ATOM 986 CA ALA A 65 -3.252 6.422 -1.824 1.00 0.00 C ATOM 987 C ALA A 65 -4.741 6.178 -2.049 1.00 0.00 C ATOM 988 O ALA A 65 -5.134 5.151 -2.601 1.00 0.00 O ATOM 989 CB ALA A 65 -2.873 6.091 -0.388 1.00 0.00 C ATOM 0 H ALA A 65 -2.990 8.449 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.697 5.767 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.147 5.059 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.798 6.217 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.402 6.759 0.291 1.00 0.00 H new ATOM 995 N ALA A 66 -5.563 7.129 -1.618 1.00 0.00 N ATOM 996 CA ALA A 66 -7.008 7.017 -1.774 1.00 0.00 C ATOM 997 C ALA A 66 -7.393 6.885 -3.244 1.00 0.00 C ATOM 998 O ALA A 66 -8.174 6.010 -3.614 1.00 0.00 O ATOM 999 CB ALA A 66 -7.701 8.220 -1.151 1.00 0.00 C ATOM 0 H ALA A 66 -5.253 7.985 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.335 6.115 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.780 8.123 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.461 8.269 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.360 9.131 -1.642 1.00 0.00 H new ATOM 1005 N MET A 67 -6.840 7.761 -4.076 1.00 0.00 N ATOM 1006 CA MET A 67 -7.125 7.742 -5.506 1.00 0.00 C ATOM 1007 C MET A 67 -6.319 6.653 -6.207 1.00 0.00 C ATOM 1008 O MET A 67 -6.601 6.297 -7.350 1.00 0.00 O ATOM 1009 CB MET A 67 -6.814 9.104 -6.129 1.00 0.00 C ATOM 1010 CG MET A 67 -5.342 9.478 -6.069 1.00 0.00 C ATOM 1011 SD MET A 67 -4.912 10.792 -7.226 1.00 0.00 S ATOM 1012 CE MET A 67 -4.548 12.133 -6.095 1.00 0.00 C ATOM 0 H MET A 67 -6.192 8.493 -3.785 1.00 0.00 H new ATOM 0 HA MET A 67 -8.185 7.525 -5.636 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.137 9.101 -7.170 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.396 9.870 -5.617 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.093 9.795 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.738 8.597 -6.285 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.750 12.751 -6.508 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.441 12.741 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.231 11.724 -5.136 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.314 6.128 -5.513 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.467 5.080 -6.068 1.00 0.00 C ATOM 1024 C ALA A 68 -5.117 3.709 -5.911 1.00 0.00 C ATOM 1025 O ALA A 68 -4.812 2.778 -6.656 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.100 5.097 -5.402 1.00 0.00 C ATOM 0 H ALA A 68 -5.067 6.412 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.342 5.275 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.478 4.309 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.625 6.064 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.215 4.931 -4.331 1.00 0.00 H new ATOM 1032 N ARG A 69 -6.014 3.593 -4.938 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.706 2.335 -4.682 1.00 0.00 C ATOM 1034 C ARG A 69 -7.914 2.182 -5.602 1.00 0.00 C ATOM 1035 O ARG A 69 -8.196 1.090 -6.096 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.152 2.261 -3.221 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.879 3.507 -2.742 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.556 3.276 -1.400 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.912 2.756 -1.553 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.960 3.514 -1.857 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.808 4.818 -2.040 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -12.163 2.967 -1.978 1.00 0.00 N ATOM 0 H ARG A 69 -6.279 4.355 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.011 1.520 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.805 1.398 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.278 2.096 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.172 4.332 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.624 3.801 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.964 2.576 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.588 4.213 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.063 1.756 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.885 5.242 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.614 5.398 -2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.284 1.964 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.967 3.550 -2.211 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.623 3.283 -5.827 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.801 3.271 -6.685 1.00 0.00 C ATOM 1058 C ARG A 70 -9.426 2.905 -8.118 1.00 0.00 C ATOM 1059 O ARG A 70 -10.295 2.696 -8.965 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.490 4.637 -6.661 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.793 5.687 -7.510 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.721 6.846 -7.836 1.00 0.00 C ATOM 1063 NE ARG A 70 -10.942 7.712 -6.681 1.00 0.00 N ATOM 1064 CZ ARG A 70 -11.861 8.671 -6.647 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -12.640 8.885 -7.699 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -12.002 9.418 -5.560 1.00 0.00 N ATOM 0 H ARG A 70 -8.402 4.195 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.490 2.517 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.516 4.523 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.541 4.990 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.916 6.060 -6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.439 5.232 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.297 7.431 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.677 6.457 -8.186 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.359 7.573 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.534 8.313 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.345 9.622 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.405 9.256 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.708 10.154 -5.535 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.126 2.829 -8.383 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.634 2.487 -9.712 1.00 0.00 C ATOM 1082 C LYS A 71 -7.337 0.995 -9.815 1.00 0.00 C ATOM 1083 O LYS A 71 -7.492 0.392 -10.878 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.374 3.293 -10.035 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.825 3.032 -11.427 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.682 3.976 -11.762 1.00 0.00 C ATOM 1087 CE LYS A 71 -4.107 3.687 -13.140 1.00 0.00 C ATOM 1088 NZ LYS A 71 -3.417 4.876 -13.712 1.00 0.00 N ATOM 0 H LYS A 71 -7.394 3.000 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.411 2.735 -10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.597 4.355 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.604 3.058 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.478 2.001 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.622 3.149 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.036 5.006 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.897 3.880 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.405 2.856 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.908 3.375 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.039 4.639 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.093 5.661 -13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.636 5.159 -13.086 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.910 0.403 -8.705 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.592 -1.020 -8.670 1.00 0.00 C ATOM 1104 C LEU A 72 -7.672 -1.801 -7.929 1.00 0.00 C ATOM 1105 O LEU A 72 -7.616 -3.027 -7.842 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.235 -1.243 -8.000 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.122 -0.273 -8.397 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.905 -0.461 -7.505 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.747 -0.461 -9.860 1.00 0.00 C ATOM 0 H LEU A 72 -6.776 0.887 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.547 -1.383 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.372 -1.185 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.903 -2.257 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.490 0.744 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.124 0.238 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.182 -0.275 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.535 -1.482 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.953 0.238 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.399 -1.482 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.619 -0.274 -10.486 1.00 0.00 H new ATOM 1121 N MET A 73 -8.656 -1.082 -7.398 1.00 0.00 N ATOM 1122 CA MET A 73 -9.751 -1.709 -6.667 1.00 0.00 C ATOM 1123 C MET A 73 -10.454 -2.752 -7.530 1.00 0.00 C ATOM 1124 O MET A 73 -10.640 -3.901 -7.129 1.00 0.00 O ATOM 1125 CB MET A 73 -10.756 -0.651 -6.206 1.00 0.00 C ATOM 1126 CG MET A 73 -11.361 -0.942 -4.842 1.00 0.00 C ATOM 1127 SD MET A 73 -12.248 -2.511 -4.795 1.00 0.00 S ATOM 1128 CE MET A 73 -11.158 -3.485 -3.761 1.00 0.00 C ATOM 0 H MET A 73 -8.717 -0.066 -7.460 1.00 0.00 H new ATOM 0 HA MET A 73 -9.333 -2.208 -5.793 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.261 0.320 -6.175 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.557 -0.577 -6.942 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.569 -0.954 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.043 -0.136 -4.572 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.257 -4.539 -4.019 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.127 -3.168 -3.919 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.425 -3.341 -2.714 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.854 -2.345 -8.745 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.542 -3.230 -9.689 1.00 0.00 C ATOM 1140 C PRO A 74 -10.622 -4.311 -10.247 1.00 0.00 C ATOM 1141 O PRO A 74 -11.023 -5.103 -11.098 1.00 0.00 O ATOM 1142 CB PRO A 74 -11.988 -2.281 -10.804 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.029 -1.143 -10.739 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.665 -0.990 -9.289 1.00 0.00 C ATOM 0 HA PRO A 74 -12.362 -3.771 -9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.956 -2.771 -11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.013 -1.944 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.145 -1.343 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.481 -0.230 -11.126 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.637 -0.648 -9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.305 -0.263 -8.789 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.385 -4.338 -9.759 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.427 -5.326 -10.220 1.00 0.00 C ATOM 1154 C GLY A 75 -8.194 -5.254 -11.717 1.00 0.00 C ATOM 1155 O GLY A 75 -7.855 -6.255 -12.348 1.00 0.00 O ATOM 0 H GLY A 75 -9.030 -3.693 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.480 -5.179 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.783 -6.322 -9.958 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.378 -4.067 -12.286 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.189 -3.869 -13.718 1.00 0.00 C ATOM 1161 C ARG A 76 -6.717 -4.008 -14.096 1.00 0.00 C ATOM 1162 O ARG A 76 -6.388 -4.477 -15.185 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.706 -2.491 -14.136 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.215 -2.348 -14.027 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.907 -2.752 -15.320 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.279 -3.198 -15.090 1.00 0.00 N ATOM 1167 CZ ARG A 76 -12.591 -4.389 -14.592 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.633 -5.249 -14.273 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -13.862 -4.722 -14.412 1.00 0.00 N ATOM 0 H ARG A 76 -8.658 -3.228 -11.777 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.756 -4.637 -14.244 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.232 -1.731 -13.515 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.404 -2.296 -15.165 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.582 -2.966 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.467 -1.316 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.911 -1.907 -16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.342 -3.551 -15.800 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.039 -2.560 -15.325 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.654 -4.996 -14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.875 -6.163 -13.891 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.601 -4.063 -14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.100 -5.637 -14.029 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.837 -3.596 -13.189 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.401 -3.676 -13.428 1.00 0.00 C ATOM 1185 C ILE A 77 -3.797 -4.898 -12.744 1.00 0.00 C ATOM 1186 O ILE A 77 -4.100 -5.186 -11.586 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.677 -2.412 -12.928 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.116 -1.192 -13.740 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.169 -2.597 -13.014 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.306 -0.469 -13.148 1.00 0.00 C ATOM 0 H ILE A 77 -6.093 -3.204 -12.283 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.264 -3.762 -14.506 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.945 -2.246 -11.884 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.280 -0.497 -13.817 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.361 -1.509 -14.754 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.671 -1.695 -12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.871 -3.445 -12.397 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.884 -2.784 -14.049 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.562 0.385 -13.775 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.156 -1.149 -13.096 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.058 -0.121 -12.145 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.941 -5.612 -13.468 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.294 -6.802 -12.931 1.00 0.00 C ATOM 1204 C GLN A 78 -0.778 -6.633 -12.903 1.00 0.00 C ATOM 1205 O GLN A 78 -0.198 -5.999 -13.786 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.666 -8.031 -13.763 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.144 -8.382 -13.701 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.458 -9.704 -14.373 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.230 -9.874 -15.572 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.985 -10.649 -13.604 1.00 0.00 N ATOM 0 H GLN A 78 -2.680 -5.387 -14.428 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.645 -6.944 -11.909 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.386 -7.855 -14.802 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.083 -8.884 -13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.460 -8.424 -12.659 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.722 -7.590 -14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.157 -10.465 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.218 -11.559 -14.002 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.143 -7.201 -11.885 1.00 0.00 N ATOM 1220 CA LEU A 79 1.306 -7.113 -11.742 1.00 0.00 C ATOM 1221 C LEU A 79 1.975 -8.422 -12.149 1.00 0.00 C ATOM 1222 O LEU A 79 1.693 -9.477 -11.579 1.00 0.00 O ATOM 1223 CB LEU A 79 1.676 -6.765 -10.299 1.00 0.00 C ATOM 1224 CG LEU A 79 1.104 -5.455 -9.757 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.240 -5.399 -8.243 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.797 -4.263 -10.401 1.00 0.00 C ATOM 0 H LEU A 79 -0.608 -7.728 -11.146 1.00 0.00 H new ATOM 0 HA LEU A 79 1.664 -6.323 -12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.343 -7.578 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.763 -6.722 -10.224 1.00 0.00 H new ATOM 0 HG LEU A 79 0.044 -5.413 -10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.828 -4.459 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.697 -6.233 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.293 -5.465 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.377 -3.339 -10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.864 -4.300 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.647 -4.294 -11.480 1.00 0.00 H new ATOM 1238 N TRP A 80 2.861 -8.347 -13.135 1.00 0.00 N ATOM 1239 CA TRP A 80 3.571 -9.526 -13.616 1.00 0.00 C ATOM 1240 C TRP A 80 2.593 -10.618 -14.035 1.00 0.00 C ATOM 1241 O TRP A 80 2.858 -11.805 -13.853 1.00 0.00 O ATOM 1242 CB TRP A 80 4.513 -10.056 -12.534 1.00 0.00 C ATOM 1243 CG TRP A 80 5.282 -8.976 -11.835 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.406 -8.346 -12.288 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.985 -8.402 -10.558 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.825 -7.414 -11.369 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.970 -7.428 -10.299 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.982 -8.613 -9.609 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 5.979 -6.671 -9.131 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 3.992 -7.861 -8.449 1.00 0.00 C ATOM 1251 CH2 TRP A 80 4.985 -6.899 -8.219 1.00 0.00 C ATOM 0 H TRP A 80 3.105 -7.482 -13.617 1.00 0.00 H new ATOM 0 HA TRP A 80 4.157 -9.235 -14.488 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.933 -10.613 -11.798 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.214 -10.758 -12.985 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.894 -8.550 -13.230 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.641 -6.810 -11.468 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.212 -9.351 -9.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.744 -5.930 -8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.222 -8.017 -7.708 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.965 -6.326 -7.304 1.00 0.00 H new ATOM 1262 N GLY A 81 1.459 -10.208 -14.597 1.00 0.00 N ATOM 1263 CA GLY A 81 0.459 -11.164 -15.032 1.00 0.00 C ATOM 1264 C GLY A 81 -0.328 -11.748 -13.875 1.00 0.00 C ATOM 1265 O GLY A 81 -1.155 -12.640 -14.065 1.00 0.00 O ATOM 0 H GLY A 81 1.216 -9.231 -14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.227 -10.677 -15.725 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.946 -11.971 -15.580 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.070 -11.244 -12.672 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.760 -11.722 -11.479 1.00 0.00 C ATOM 1271 C HIS A 82 -1.769 -10.690 -10.985 1.00 0.00 C ATOM 1272 O HIS A 82 -1.474 -9.497 -10.932 1.00 0.00 O ATOM 1273 CB HIS A 82 0.248 -12.037 -10.374 1.00 0.00 C ATOM 1274 CG HIS A 82 1.119 -13.217 -10.675 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.657 -14.026 -9.696 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.544 -13.726 -11.856 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.376 -14.979 -10.261 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.323 -14.820 -11.571 1.00 0.00 N ATOM 0 H HIS A 82 0.611 -10.505 -12.498 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.298 -12.633 -11.740 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.879 -11.163 -10.209 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.290 -12.221 -9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.313 -13.343 -12.839 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.916 -15.756 -9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.786 -15.414 -12.259 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.959 -11.159 -10.626 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.012 -10.276 -10.138 1.00 0.00 C ATOM 1288 C GLN A 83 -3.658 -9.714 -8.765 1.00 0.00 C ATOM 1289 O GLN A 83 -2.984 -10.370 -7.970 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.344 -11.026 -10.067 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.606 -11.674 -8.717 1.00 0.00 C ATOM 1292 CD GLN A 83 -6.573 -12.839 -8.807 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -6.270 -13.866 -9.414 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -7.744 -12.684 -8.201 1.00 0.00 N ATOM 0 H GLN A 83 -3.218 -12.145 -10.664 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.108 -9.445 -10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.154 -10.332 -10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.360 -11.795 -10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.663 -12.021 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.006 -10.927 -8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.953 -11.815 -7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.435 -13.434 -8.227 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.116 -8.497 -8.493 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.848 -7.847 -7.216 1.00 0.00 C ATOM 1305 C ILE A 84 -5.057 -7.047 -6.742 1.00 0.00 C ATOM 1306 O ILE A 84 -5.864 -6.586 -7.548 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.629 -6.910 -7.306 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.725 -6.032 -8.555 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.340 -7.718 -7.317 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.511 -4.758 -8.340 1.00 0.00 C ATOM 0 H ILE A 84 -4.675 -7.941 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.635 -8.638 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.621 -6.262 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.719 -5.777 -8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.190 -6.605 -9.357 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.487 -7.042 -7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.270 -8.304 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.338 -8.387 -8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.537 -4.186 -9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.528 -5.005 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.034 -4.164 -7.560 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.173 -6.885 -5.428 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.281 -6.138 -4.846 1.00 0.00 C ATOM 1324 C ALA A 85 -5.778 -5.095 -3.854 1.00 0.00 C ATOM 1325 O ALA A 85 -4.791 -5.316 -3.152 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.259 -7.085 -4.168 1.00 0.00 C ATOM 0 H ALA A 85 -4.513 -7.261 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.798 -5.617 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.081 -6.513 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.652 -7.789 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.746 -7.633 -3.378 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.462 -3.957 -3.800 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.085 -2.879 -2.893 1.00 0.00 C ATOM 1334 C VAL A 86 -7.143 -2.672 -1.815 1.00 0.00 C ATOM 1335 O VAL A 86 -8.325 -2.505 -2.115 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.874 -1.555 -3.651 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.648 -1.642 -4.547 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.113 -1.202 -4.461 1.00 0.00 C ATOM 0 H VAL A 86 -7.281 -3.757 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.146 -3.174 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.706 -0.762 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.515 -0.697 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.767 -1.845 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.783 -2.446 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.947 -0.264 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.314 -1.994 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.967 -1.095 -3.792 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.710 -2.685 -0.559 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.620 -2.497 0.565 1.00 0.00 C ATOM 1350 C ASP A 87 -7.107 -1.409 1.503 1.00 0.00 C ATOM 1351 O ASP A 87 -5.906 -1.148 1.568 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.796 -3.809 1.332 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.697 -4.788 0.606 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.702 -4.342 0.012 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -8.398 -6.000 0.630 1.00 0.00 O ATOM 0 H ASP A 87 -5.735 -2.824 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.587 -2.185 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.820 -4.267 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.213 -3.598 2.317 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.025 -0.779 2.227 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.665 0.282 3.161 1.00 0.00 C ATOM 1362 C TRP A 88 -6.913 -0.282 4.362 1.00 0.00 C ATOM 1363 O TRP A 88 -7.503 -0.932 5.225 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.918 1.023 3.631 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.274 2.195 2.766 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.438 2.380 2.076 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.459 3.341 2.498 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.395 3.573 1.396 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.192 4.182 1.638 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.182 3.739 2.901 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.689 5.395 1.176 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.684 4.944 2.442 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.436 5.760 1.587 1.00 0.00 C ATOM 0 H TRP A 88 -9.023 -0.984 2.186 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.011 0.982 2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.757 0.327 3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.765 1.368 4.654 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.269 1.691 2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.139 3.945 0.806 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.594 3.116 3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.267 6.025 0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.698 5.262 2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.019 6.696 1.246 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.609 -0.030 4.410 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.778 -0.511 5.507 1.00 0.00 C ATOM 1386 C ALA A 89 -5.402 -0.175 6.857 1.00 0.00 C ATOM 1387 O ALA A 89 -5.665 -1.063 7.667 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.380 0.079 5.408 1.00 0.00 C ATOM 0 H ALA A 89 -5.105 0.504 3.702 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.709 -1.596 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.771 -0.289 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.926 -0.217 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.440 1.166 5.457 1.00 0.00 H new