USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 738 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 102 LYS NZ :NH3+ -128:sc= 0.672 (180deg=0) USER MOD Set 1.2: A 118 ASN : amide:sc= -1.68 K(o=-1,f=-5.4) USER MOD Set 2.1: A 99 ASN : amide:sc= -0.797 K(o=-0.85,f=-0.32) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= -0.0501 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 141:sc= 0.146 (180deg=0) USER MOD Set 3.2: A 71 GLN : amide:sc= -0.0212 K(o=0.13,f=-0.6) USER MOD Set 4.1: A 29 CYS SG : rot 106:sc= 0.902 USER MOD Set 4.2: A 115 MET CE :methyl -151:sc= -0.186 (180deg=-0.961) USER MOD Set 5.1: A 2 SER OG : rot -150:sc=0.000292 USER MOD Set 5.2: A 63 HIS : no HE2:sc= -0.0162 X(o=-0.016,f=-0.086) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 11 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.093) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0236 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -148:sc= -0.632 (180deg=-3.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -170:sc= 0.00295 USER MOD Single : A 65 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.04) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= -0.0255 (180deg=-0.259) USER MOD Single : A 70 MET CE :methyl -169:sc= -0.828 (180deg=-1.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -130:sc= -0.436 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.032 USER MOD Single : A 96 CYS SG : rot 61:sc= 0.947 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 139:sc= -0.0511 (180deg=-0.846) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.551 -21.015 6.716 1.00 0.00 N ATOM 84 CA SER A 2 -1.027 -20.210 5.597 1.00 0.00 C ATOM 85 C SER A 2 -0.176 -18.955 5.429 1.00 0.00 C ATOM 86 O SER A 2 -0.228 -18.023 6.231 1.00 0.00 O ATOM 87 CB SER A 2 -2.492 -19.822 5.807 1.00 0.00 C ATOM 88 OG SER A 2 -3.128 -19.545 4.571 1.00 0.00 O ATOM 0 HA SER A 2 -0.943 -20.809 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.016 -20.631 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.551 -18.947 6.454 1.00 0.00 H new ATOM 0 HG SER A 2 -3.840 -18.887 4.710 1.00 0.00 H new ATOM 94 N PRO A 3 0.631 -18.927 4.359 1.00 0.00 N ATOM 95 CA PRO A 3 1.465 -17.738 4.162 1.00 0.00 C ATOM 96 C PRO A 3 0.645 -16.512 3.777 1.00 0.00 C ATOM 97 O PRO A 3 -0.248 -16.590 2.933 1.00 0.00 O ATOM 98 CB PRO A 3 2.394 -18.142 3.014 1.00 0.00 C ATOM 99 CG PRO A 3 1.642 -19.191 2.270 1.00 0.00 C ATOM 100 CD PRO A 3 0.833 -19.930 3.299 1.00 0.00 C ATOM 0 HA PRO A 3 1.990 -17.454 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.625 -17.291 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.343 -18.526 3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.997 -18.745 1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.323 -19.866 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.115 -20.279 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.362 -20.807 3.671 1.00 0.00 H new ATOM 108 N PHE A 4 0.954 -15.379 4.400 1.00 0.00 N ATOM 109 CA PHE A 4 0.245 -14.136 4.122 1.00 0.00 C ATOM 110 C PHE A 4 1.196 -13.079 3.569 1.00 0.00 C ATOM 111 O PHE A 4 2.414 -13.180 3.726 1.00 0.00 O ATOM 112 CB PHE A 4 -0.431 -13.615 5.392 1.00 0.00 C ATOM 113 CG PHE A 4 0.532 -13.042 6.392 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.206 -13.868 7.276 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.762 -11.677 6.448 1.00 0.00 C ATOM 116 CE1 PHE A 4 2.093 -13.344 8.198 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.649 -11.147 7.367 1.00 0.00 C ATOM 118 CZ PHE A 4 2.314 -11.981 8.243 1.00 0.00 C ATOM 0 H PHE A 4 1.691 -15.297 5.101 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.517 -14.342 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.157 -12.850 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.986 -14.429 5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.037 -14.934 7.245 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.243 -11.020 5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.612 -13.999 8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.821 -10.081 7.399 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.006 -11.569 8.962 1.00 0.00 H new ATOM 128 N LEU A 5 0.633 -12.065 2.921 1.00 0.00 N ATOM 129 CA LEU A 5 1.430 -10.989 2.343 1.00 0.00 C ATOM 130 C LEU A 5 1.284 -9.707 3.157 1.00 0.00 C ATOM 131 O LEU A 5 0.172 -9.260 3.436 1.00 0.00 O ATOM 132 CB LEU A 5 1.009 -10.737 0.894 1.00 0.00 C ATOM 133 CG LEU A 5 1.687 -11.610 -0.163 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.013 -11.431 -1.514 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.169 -11.280 -0.256 1.00 0.00 C ATOM 0 H LEU A 5 -0.373 -11.966 2.783 1.00 0.00 H new ATOM 0 HA LEU A 5 2.476 -11.294 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.069 -10.882 0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.208 -9.692 0.655 1.00 0.00 H new ATOM 0 HG LEU A 5 1.586 -12.654 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.508 -12.060 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.036 -11.718 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.083 -10.387 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.635 -11.911 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.292 -10.232 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.643 -11.460 0.709 1.00 0.00 H new ATOM 147 N ARG A 6 2.415 -9.119 3.533 1.00 0.00 N ATOM 148 CA ARG A 6 2.414 -7.888 4.313 1.00 0.00 C ATOM 149 C ARG A 6 2.755 -6.687 3.436 1.00 0.00 C ATOM 150 O ARG A 6 3.924 -6.335 3.277 1.00 0.00 O ATOM 151 CB ARG A 6 3.413 -7.989 5.468 1.00 0.00 C ATOM 152 CG ARG A 6 3.388 -6.791 6.402 1.00 0.00 C ATOM 153 CD ARG A 6 4.414 -6.931 7.515 1.00 0.00 C ATOM 154 NE ARG A 6 3.993 -6.248 8.736 1.00 0.00 N ATOM 155 CZ ARG A 6 4.829 -5.899 9.708 1.00 0.00 C ATOM 156 NH1 ARG A 6 6.123 -6.166 9.602 1.00 0.00 N ATOM 157 NH2 ARG A 6 4.371 -5.280 10.789 1.00 0.00 N ATOM 0 H ARG A 6 3.344 -9.476 3.310 1.00 0.00 H new ATOM 0 HA ARG A 6 1.412 -7.747 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.201 -8.891 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.418 -8.100 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.587 -5.882 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.393 -6.686 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.576 -7.988 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.368 -6.523 7.182 1.00 0.00 H new ATOM 0 HE ARG A 6 3.004 -6.027 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.480 -6.641 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.762 -5.897 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.376 -5.072 10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.014 -5.013 11.534 1.00 0.00 H new ATOM 171 N ILE A 7 1.728 -6.064 2.868 1.00 0.00 N ATOM 172 CA ILE A 7 1.919 -4.904 2.008 1.00 0.00 C ATOM 173 C ILE A 7 1.885 -3.610 2.814 1.00 0.00 C ATOM 174 O ILE A 7 1.035 -3.431 3.685 1.00 0.00 O ATOM 175 CB ILE A 7 0.846 -4.837 0.905 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.871 -6.113 0.061 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.061 -3.612 0.030 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.035 -7.204 0.587 1.00 0.00 C ATOM 0 H ILE A 7 0.755 -6.344 2.988 1.00 0.00 H new ATOM 0 HA ILE A 7 2.899 -5.014 1.544 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.133 -4.755 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.578 -5.869 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.893 -6.490 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.295 -3.579 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.997 -2.712 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.045 -3.665 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.034 -8.078 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.271 -7.476 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.064 -6.845 0.604 1.00 0.00 H new ATOM 190 N GLY A 8 2.815 -2.708 2.515 1.00 0.00 N ATOM 191 CA GLY A 8 2.873 -1.441 3.220 1.00 0.00 C ATOM 192 C GLY A 8 2.935 -0.255 2.277 1.00 0.00 C ATOM 193 O GLY A 8 3.782 -0.207 1.383 1.00 0.00 O ATOM 0 H GLY A 8 3.529 -2.832 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.997 -1.345 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.748 -1.430 3.870 1.00 0.00 H new ATOM 197 N LEU A 9 2.036 0.703 2.474 1.00 0.00 N ATOM 198 CA LEU A 9 1.991 1.894 1.633 1.00 0.00 C ATOM 199 C LEU A 9 2.633 3.084 2.339 1.00 0.00 C ATOM 200 O LEU A 9 2.551 3.211 3.561 1.00 0.00 O ATOM 201 CB LEU A 9 0.545 2.226 1.262 1.00 0.00 C ATOM 202 CG LEU A 9 -0.281 1.075 0.686 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.759 1.433 0.671 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.198 0.723 -0.715 1.00 0.00 C ATOM 0 H LEU A 9 1.329 0.678 3.208 1.00 0.00 H new ATOM 0 HA LEU A 9 2.555 1.688 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.039 2.600 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.555 3.039 0.536 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.146 0.202 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.331 0.602 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.095 1.634 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.912 2.320 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.401 -0.098 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.094 1.592 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.245 0.422 -0.677 1.00 0.00 H new ATOM 216 N SER A 10 3.268 3.955 1.562 1.00 0.00 N ATOM 217 CA SER A 10 3.925 5.135 2.113 1.00 0.00 C ATOM 218 C SER A 10 4.317 6.106 1.004 1.00 0.00 C ATOM 219 O SER A 10 4.366 5.739 -0.169 1.00 0.00 O ATOM 220 CB SER A 10 5.164 4.728 2.913 1.00 0.00 C ATOM 221 OG SER A 10 5.741 5.846 3.564 1.00 0.00 O ATOM 0 H SER A 10 3.342 3.866 0.549 1.00 0.00 H new ATOM 0 HA SER A 10 3.221 5.636 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.892 3.974 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.897 4.273 2.247 1.00 0.00 H new ATOM 0 HG SER A 10 6.530 5.559 4.069 1.00 0.00 H new ATOM 227 N ASN A 11 4.597 7.348 1.386 1.00 0.00 N ATOM 228 CA ASN A 11 4.984 8.374 0.425 1.00 0.00 C ATOM 229 C ASN A 11 3.886 8.592 -0.611 1.00 0.00 C ATOM 230 O ASN A 11 4.163 8.771 -1.798 1.00 0.00 O ATOM 231 CB ASN A 11 6.288 7.982 -0.273 1.00 0.00 C ATOM 232 CG ASN A 11 7.279 7.334 0.675 1.00 0.00 C ATOM 233 OD1 ASN A 11 7.871 8.002 1.523 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.465 6.027 0.534 1.00 0.00 N ATOM 0 H ASN A 11 4.563 7.668 2.354 1.00 0.00 H new ATOM 0 HA ASN A 11 5.136 9.306 0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.067 7.294 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.740 8.869 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.120 5.537 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.952 5.513 -0.183 1.00 0.00 H new ATOM 241 N PHE A 12 2.638 8.576 -0.155 1.00 0.00 N ATOM 242 CA PHE A 12 1.497 8.771 -1.041 1.00 0.00 C ATOM 243 C PHE A 12 1.556 10.141 -1.710 1.00 0.00 C ATOM 244 O PHE A 12 1.534 11.173 -1.039 1.00 0.00 O ATOM 245 CB PHE A 12 0.188 8.628 -0.262 1.00 0.00 C ATOM 246 CG PHE A 12 -1.030 8.987 -1.064 1.00 0.00 C ATOM 247 CD1 PHE A 12 -1.243 8.426 -2.313 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.962 9.885 -0.569 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.363 8.756 -3.054 1.00 0.00 C ATOM 250 CE2 PHE A 12 -3.083 10.218 -1.305 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.284 9.652 -2.549 1.00 0.00 C ATOM 0 H PHE A 12 2.391 8.430 0.824 1.00 0.00 H new ATOM 0 HA PHE A 12 1.536 8.005 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.093 7.600 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.230 9.263 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.526 7.723 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.810 10.330 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.517 8.313 -4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.801 10.920 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.160 9.910 -3.126 1.00 0.00 H new ATOM 261 N ASP A 13 1.631 10.143 -3.036 1.00 0.00 N ATOM 262 CA ASP A 13 1.693 11.385 -3.797 1.00 0.00 C ATOM 263 C ASP A 13 0.403 11.608 -4.580 1.00 0.00 C ATOM 264 O ASP A 13 -0.021 10.749 -5.354 1.00 0.00 O ATOM 265 CB ASP A 13 2.887 11.364 -4.753 1.00 0.00 C ATOM 266 CG ASP A 13 4.158 11.875 -4.103 1.00 0.00 C ATOM 267 OD1 ASP A 13 4.570 11.301 -3.073 1.00 0.00 O ATOM 268 OD2 ASP A 13 4.742 12.847 -4.625 1.00 0.00 O ATOM 0 H ASP A 13 1.650 9.298 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 13 1.816 12.208 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.047 10.346 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.659 11.973 -5.628 1.00 0.00 H new ATOM 273 N CYS A 14 -0.216 12.764 -4.373 1.00 0.00 N ATOM 274 CA CYS A 14 -1.460 13.099 -5.058 1.00 0.00 C ATOM 275 C CYS A 14 -1.225 14.172 -6.117 1.00 0.00 C ATOM 276 O CYS A 14 -1.957 14.256 -7.103 1.00 0.00 O ATOM 277 CB CYS A 14 -2.507 13.579 -4.052 1.00 0.00 C ATOM 278 SG CYS A 14 -1.991 15.009 -3.074 1.00 0.00 S ATOM 0 H CYS A 14 0.122 13.486 -3.737 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.828 12.200 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.422 13.830 -4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.749 12.759 -3.376 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.944 15.341 -2.254 1.00 0.00 H new ATOM 431 N PRO A 27 -8.786 12.175 4.689 1.00 0.00 N ATOM 432 CA PRO A 27 -8.850 11.205 3.591 1.00 0.00 C ATOM 433 C PRO A 27 -8.295 9.842 3.989 1.00 0.00 C ATOM 434 O PRO A 27 -7.451 9.740 4.880 1.00 0.00 O ATOM 435 CB PRO A 27 -7.980 11.841 2.504 1.00 0.00 C ATOM 436 CG PRO A 27 -7.034 12.722 3.244 1.00 0.00 C ATOM 437 CD PRO A 27 -7.791 13.231 4.440 1.00 0.00 C ATOM 0 HA PRO A 27 -9.876 11.013 3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.448 11.083 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.583 12.412 1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.145 12.170 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.696 13.546 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.135 13.376 5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.266 14.191 4.236 1.00 0.00 H new ATOM 445 N TYR A 28 -8.773 8.797 3.323 1.00 0.00 N ATOM 446 CA TYR A 28 -8.325 7.439 3.608 1.00 0.00 C ATOM 447 C TYR A 28 -8.284 6.599 2.334 1.00 0.00 C ATOM 448 O TYR A 28 -8.710 7.047 1.269 1.00 0.00 O ATOM 449 CB TYR A 28 -9.246 6.781 4.637 1.00 0.00 C ATOM 450 CG TYR A 28 -10.714 6.897 4.296 1.00 0.00 C ATOM 451 CD1 TYR A 28 -11.293 6.069 3.342 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.523 7.834 4.927 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.635 6.172 3.027 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.865 7.943 4.620 1.00 0.00 C ATOM 455 CZ TYR A 28 -13.416 7.109 3.668 1.00 0.00 C ATOM 456 OH TYR A 28 -14.753 7.215 3.358 1.00 0.00 O ATOM 0 H TYR A 28 -9.471 8.864 2.582 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.316 7.495 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.984 5.727 4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.071 7.235 5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.684 5.333 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.094 8.489 5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.069 5.521 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.479 8.676 5.122 1.00 0.00 H new ATOM 0 HH TYR A 28 -15.159 7.923 3.900 1.00 0.00 H new ATOM 466 N CYS A 29 -7.771 5.380 2.453 1.00 0.00 N ATOM 467 CA CYS A 29 -7.674 4.476 1.313 1.00 0.00 C ATOM 468 C CYS A 29 -8.579 3.263 1.502 1.00 0.00 C ATOM 469 O CYS A 29 -8.635 2.682 2.585 1.00 0.00 O ATOM 470 CB CYS A 29 -6.227 4.023 1.116 1.00 0.00 C ATOM 471 SG CYS A 29 -5.242 5.127 0.076 1.00 0.00 S ATOM 0 H CYS A 29 -7.416 4.995 3.328 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.002 5.015 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.748 3.938 2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.227 3.027 0.672 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.418 5.804 0.820 1.00 0.00 H new ATOM 477 N ALA A 30 -9.286 2.888 0.441 1.00 0.00 N ATOM 478 CA ALA A 30 -10.188 1.744 0.491 1.00 0.00 C ATOM 479 C ALA A 30 -9.611 0.556 -0.272 1.00 0.00 C ATOM 480 O ALA A 30 -9.500 0.588 -1.498 1.00 0.00 O ATOM 481 CB ALA A 30 -11.551 2.121 -0.070 1.00 0.00 C ATOM 0 H ALA A 30 -9.252 3.359 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.305 1.451 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.214 1.257 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.975 2.934 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.442 2.443 -1.106 1.00 0.00 H new ATOM 487 N VAL A 31 -9.243 -0.490 0.460 1.00 0.00 N ATOM 488 CA VAL A 31 -8.678 -1.689 -0.148 1.00 0.00 C ATOM 489 C VAL A 31 -9.738 -2.771 -0.319 1.00 0.00 C ATOM 490 O VAL A 31 -10.147 -3.413 0.649 1.00 0.00 O ATOM 491 CB VAL A 31 -7.517 -2.251 0.695 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.961 -3.516 0.060 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.425 -1.204 0.862 1.00 0.00 C ATOM 0 H VAL A 31 -9.326 -0.532 1.476 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.299 -1.399 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.898 -2.506 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.142 -3.899 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.748 -4.267 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.594 -3.290 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.613 -1.618 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.044 -0.916 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.835 -0.328 1.364 1.00 0.00 H new ATOM 503 N LEU A 32 -10.178 -2.969 -1.556 1.00 0.00 N ATOM 504 CA LEU A 32 -11.191 -3.975 -1.856 1.00 0.00 C ATOM 505 C LEU A 32 -10.544 -5.298 -2.253 1.00 0.00 C ATOM 506 O LEU A 32 -9.771 -5.362 -3.209 1.00 0.00 O ATOM 507 CB LEU A 32 -12.108 -3.486 -2.978 1.00 0.00 C ATOM 508 CG LEU A 32 -13.093 -2.378 -2.605 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.442 -1.012 -2.757 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.349 -2.471 -3.460 1.00 0.00 C ATOM 0 H LEU A 32 -9.849 -2.446 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.784 -4.137 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.486 -3.130 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.675 -4.338 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.378 -2.507 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.158 -0.236 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.573 -0.948 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.127 -0.872 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.039 -1.675 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.082 -2.367 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.827 -3.438 -3.301 1.00 0.00 H new ATOM 522 N VAL A 33 -10.866 -6.355 -1.513 1.00 0.00 N ATOM 523 CA VAL A 33 -10.319 -7.677 -1.789 1.00 0.00 C ATOM 524 C VAL A 33 -11.389 -8.608 -2.350 1.00 0.00 C ATOM 525 O VAL A 33 -12.184 -9.179 -1.603 1.00 0.00 O ATOM 526 CB VAL A 33 -9.715 -8.311 -0.522 1.00 0.00 C ATOM 527 CG1 VAL A 33 -8.985 -9.601 -0.865 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.783 -7.330 0.172 1.00 0.00 C ATOM 0 H VAL A 33 -11.503 -6.320 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.531 -7.545 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.527 -8.553 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.565 -10.034 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.684 -10.307 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.182 -9.388 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.365 -7.795 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.975 -7.054 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.340 -6.437 0.455 1.00 0.00 H new ATOM 538 N LYS A 34 -11.402 -8.758 -3.670 1.00 0.00 N ATOM 539 CA LYS A 34 -12.372 -9.621 -4.333 1.00 0.00 C ATOM 540 C LYS A 34 -11.775 -10.996 -4.614 1.00 0.00 C ATOM 541 O LYS A 34 -10.572 -11.203 -4.457 1.00 0.00 O ATOM 542 CB LYS A 34 -12.845 -8.981 -5.640 1.00 0.00 C ATOM 543 CG LYS A 34 -13.842 -7.853 -5.439 1.00 0.00 C ATOM 544 CD LYS A 34 -13.807 -6.866 -6.594 1.00 0.00 C ATOM 545 CE LYS A 34 -12.799 -5.755 -6.347 1.00 0.00 C ATOM 546 NZ LYS A 34 -12.465 -5.021 -7.599 1.00 0.00 N ATOM 0 H LYS A 34 -10.751 -8.292 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.226 -9.745 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.980 -8.598 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.299 -9.748 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.846 -8.266 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.621 -7.332 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.553 -7.391 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.798 -6.435 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.201 -5.057 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.890 -6.178 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.373 -4.006 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.567 -5.379 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.222 -5.165 -8.298 1.00 0.00 H new ATOM 809 N PRO A 50 -15.425 -7.374 2.616 1.00 0.00 N ATOM 810 CA PRO A 50 -15.772 -5.991 2.275 1.00 0.00 C ATOM 811 C PRO A 50 -14.546 -5.089 2.194 1.00 0.00 C ATOM 812 O PRO A 50 -13.414 -5.545 2.359 1.00 0.00 O ATOM 813 CB PRO A 50 -16.680 -5.558 3.428 1.00 0.00 C ATOM 814 CG PRO A 50 -16.279 -6.424 4.572 1.00 0.00 C ATOM 815 CD PRO A 50 -15.871 -7.741 3.971 1.00 0.00 C ATOM 0 HA PRO A 50 -16.242 -5.919 1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.544 -4.503 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.732 -5.696 3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.456 -5.978 5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.105 -6.553 5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.072 -8.213 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.703 -8.445 3.943 1.00 0.00 H new ATOM 823 N THR A 51 -14.777 -3.804 1.941 1.00 0.00 N ATOM 824 CA THR A 51 -13.691 -2.837 1.839 1.00 0.00 C ATOM 825 C THR A 51 -12.827 -2.847 3.094 1.00 0.00 C ATOM 826 O THR A 51 -13.326 -3.041 4.202 1.00 0.00 O ATOM 827 CB THR A 51 -14.228 -1.412 1.609 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.087 -1.390 0.464 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.084 -0.429 1.410 1.00 0.00 C ATOM 0 H THR A 51 -15.707 -3.409 1.803 1.00 0.00 H new ATOM 0 HA THR A 51 -13.085 -3.131 0.982 1.00 0.00 H new ATOM 0 HB THR A 51 -14.794 -1.114 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.425 -0.481 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.487 0.571 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.449 -0.426 2.296 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.495 -0.727 0.542 1.00 0.00 H new ATOM 837 N MET A 52 -11.527 -2.634 2.914 1.00 0.00 N ATOM 838 CA MET A 52 -10.593 -2.616 4.034 1.00 0.00 C ATOM 839 C MET A 52 -10.009 -1.221 4.232 1.00 0.00 C ATOM 840 O MET A 52 -9.967 -0.417 3.300 1.00 0.00 O ATOM 841 CB MET A 52 -9.467 -3.625 3.803 1.00 0.00 C ATOM 842 CG MET A 52 -9.823 -5.041 4.227 1.00 0.00 C ATOM 843 SD MET A 52 -8.378 -6.110 4.361 1.00 0.00 S ATOM 844 CE MET A 52 -7.531 -5.728 2.830 1.00 0.00 C ATOM 0 H MET A 52 -11.097 -2.472 2.003 1.00 0.00 H new ATOM 0 HA MET A 52 -11.140 -2.893 4.935 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.203 -3.627 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.582 -3.302 4.352 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.337 -5.010 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.520 -5.468 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.999 -6.612 2.478 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.258 -5.419 2.079 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.819 -4.920 3.000 1.00 0.00 H new ATOM 854 N TYR A 53 -9.560 -0.940 5.450 1.00 0.00 N ATOM 855 CA TYR A 53 -8.980 0.359 5.770 1.00 0.00 C ATOM 856 C TYR A 53 -7.607 0.198 6.416 1.00 0.00 C ATOM 857 O TYR A 53 -7.456 0.226 7.637 1.00 0.00 O ATOM 858 CB TYR A 53 -9.908 1.138 6.705 1.00 0.00 C ATOM 859 CG TYR A 53 -11.290 1.365 6.135 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.459 1.911 4.869 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.426 1.034 6.863 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.720 2.121 4.344 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.690 1.238 6.346 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.832 1.783 5.086 1.00 0.00 C ATOM 865 OH TYR A 53 -15.090 1.990 4.568 1.00 0.00 O ATOM 0 H TYR A 53 -9.586 -1.594 6.232 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.861 0.915 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.997 0.598 7.648 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.455 2.103 6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.590 2.176 4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.319 0.610 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.834 2.547 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.563 0.973 6.924 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.763 1.697 5.217 1.00 0.00 H new ATOM 875 N PRO A 54 -6.576 0.027 5.576 1.00 0.00 N ATOM 876 CA PRO A 54 -5.240 -0.130 6.157 1.00 0.00 C ATOM 877 C PRO A 54 -4.724 1.162 6.782 1.00 0.00 C ATOM 878 O PRO A 54 -5.214 2.257 6.505 1.00 0.00 O ATOM 879 CB PRO A 54 -4.375 -0.525 4.957 1.00 0.00 C ATOM 880 CG PRO A 54 -5.089 0.036 3.775 1.00 0.00 C ATOM 881 CD PRO A 54 -6.554 -0.034 4.105 1.00 0.00 C ATOM 0 HA PRO A 54 -5.231 -0.861 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.368 -0.116 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.273 -1.608 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.781 1.064 3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.864 -0.536 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.106 0.794 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.006 -0.954 3.734 1.00 0.00 H new ATOM 889 N PRO A 55 -3.709 1.036 7.649 1.00 0.00 N ATOM 890 CA PRO A 55 -3.186 2.256 8.271 1.00 0.00 C ATOM 891 C PRO A 55 -2.440 3.139 7.276 1.00 0.00 C ATOM 892 O PRO A 55 -2.391 2.842 6.083 1.00 0.00 O ATOM 893 CB PRO A 55 -2.226 1.727 9.340 1.00 0.00 C ATOM 894 CG PRO A 55 -1.811 0.385 8.844 1.00 0.00 C ATOM 895 CD PRO A 55 -2.997 -0.170 8.105 1.00 0.00 C ATOM 0 HA PRO A 55 -3.983 2.885 8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.367 2.387 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.715 1.656 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.944 0.463 8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.527 -0.266 9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.691 -0.797 7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.622 -0.785 8.752 1.00 0.00 H new ATOM 903 N TRP A 56 -1.860 4.225 7.775 1.00 0.00 N ATOM 904 CA TRP A 56 -1.116 5.151 6.930 1.00 0.00 C ATOM 905 C TRP A 56 0.379 5.070 7.218 1.00 0.00 C ATOM 906 O TRP A 56 0.802 5.131 8.372 1.00 0.00 O ATOM 907 CB TRP A 56 -1.612 6.582 7.145 1.00 0.00 C ATOM 908 CG TRP A 56 -2.769 6.947 6.265 1.00 0.00 C ATOM 909 CD1 TRP A 56 -4.015 7.336 6.668 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.788 6.957 4.833 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.807 7.586 5.574 1.00 0.00 N ATOM 912 CE2 TRP A 56 -4.077 7.362 4.436 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.841 6.664 3.848 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.441 7.479 3.097 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -2.203 6.781 2.520 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.494 7.187 2.154 1.00 0.00 C ATOM 0 H TRP A 56 -1.891 4.486 8.761 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.283 4.868 5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.905 6.705 8.188 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.791 7.275 6.960 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.331 7.433 7.696 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.780 7.889 5.604 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.844 6.352 4.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.436 7.789 2.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.479 6.556 1.751 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.746 7.271 1.107 1.00 0.00 H new ATOM 927 N ASP A 57 1.174 4.933 6.162 1.00 0.00 N ATOM 928 CA ASP A 57 2.623 4.844 6.303 1.00 0.00 C ATOM 929 C ASP A 57 3.015 3.635 7.145 1.00 0.00 C ATOM 930 O ASP A 57 4.069 3.623 7.780 1.00 0.00 O ATOM 931 CB ASP A 57 3.174 6.123 6.936 1.00 0.00 C ATOM 932 CG ASP A 57 4.596 6.419 6.500 1.00 0.00 C ATOM 933 OD1 ASP A 57 5.436 5.496 6.549 1.00 0.00 O ATOM 934 OD2 ASP A 57 4.868 7.573 6.109 1.00 0.00 O ATOM 0 H ASP A 57 0.840 4.881 5.200 1.00 0.00 H new ATOM 0 HA ASP A 57 3.053 4.725 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.533 6.963 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.142 6.031 8.022 1.00 0.00 H new ATOM 939 N SER A 58 2.158 2.618 7.147 1.00 0.00 N ATOM 940 CA SER A 58 2.412 1.405 7.915 1.00 0.00 C ATOM 941 C SER A 58 2.153 0.162 7.070 1.00 0.00 C ATOM 942 O SER A 58 1.768 0.258 5.904 1.00 0.00 O ATOM 943 CB SER A 58 1.534 1.377 9.168 1.00 0.00 C ATOM 944 OG SER A 58 2.162 2.047 10.247 1.00 0.00 O ATOM 0 H SER A 58 1.282 2.611 6.625 1.00 0.00 H new ATOM 0 HA SER A 58 3.460 1.407 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.574 1.847 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.328 0.344 9.448 1.00 0.00 H new ATOM 0 HG SER A 58 1.580 2.016 11.035 1.00 0.00 H new ATOM 950 N THR A 59 2.366 -1.007 7.666 1.00 0.00 N ATOM 951 CA THR A 59 2.157 -2.270 6.969 1.00 0.00 C ATOM 952 C THR A 59 0.943 -3.008 7.521 1.00 0.00 C ATOM 953 O THR A 59 0.661 -2.951 8.718 1.00 0.00 O ATOM 954 CB THR A 59 3.393 -3.183 7.079 1.00 0.00 C ATOM 955 OG1 THR A 59 4.010 -3.020 8.361 1.00 0.00 O ATOM 956 CG2 THR A 59 4.399 -2.866 5.983 1.00 0.00 C ATOM 0 H THR A 59 2.683 -1.105 8.630 1.00 0.00 H new ATOM 0 HA THR A 59 1.985 -2.028 5.920 1.00 0.00 H new ATOM 0 HB THR A 59 3.066 -4.216 6.962 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.876 -3.478 8.368 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.263 -3.523 6.081 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.936 -3.019 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.720 -1.828 6.073 1.00 0.00 H new ATOM 964 N PHE A 60 0.228 -3.701 6.642 1.00 0.00 N ATOM 965 CA PHE A 60 -0.957 -4.451 7.042 1.00 0.00 C ATOM 966 C PHE A 60 -0.887 -5.889 6.536 1.00 0.00 C ATOM 967 O PHE A 60 -0.072 -6.216 5.673 1.00 0.00 O ATOM 968 CB PHE A 60 -2.220 -3.772 6.509 1.00 0.00 C ATOM 969 CG PHE A 60 -2.252 -3.655 5.012 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.686 -4.713 4.230 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.847 -2.486 4.387 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.716 -4.608 2.852 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.876 -2.375 3.010 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.310 -3.438 2.241 1.00 0.00 C ATOM 0 H PHE A 60 0.448 -3.759 5.648 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.994 -4.469 8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.093 -4.335 6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.299 -2.776 6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.005 -5.630 4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.505 -1.653 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.057 -5.440 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.560 -1.458 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.332 -3.354 1.164 1.00 0.00 H new ATOM 984 N ASP A 61 -1.747 -6.743 7.080 1.00 0.00 N ATOM 985 CA ASP A 61 -1.784 -8.147 6.684 1.00 0.00 C ATOM 986 C ASP A 61 -2.788 -8.367 5.557 1.00 0.00 C ATOM 987 O ASP A 61 -3.848 -7.742 5.526 1.00 0.00 O ATOM 988 CB ASP A 61 -2.142 -9.027 7.883 1.00 0.00 C ATOM 989 CG ASP A 61 -3.457 -8.628 8.522 1.00 0.00 C ATOM 990 OD1 ASP A 61 -3.454 -7.689 9.346 1.00 0.00 O ATOM 991 OD2 ASP A 61 -4.488 -9.254 8.201 1.00 0.00 O ATOM 0 H ASP A 61 -2.428 -6.488 7.796 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.794 -8.424 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.198 -10.067 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.347 -8.965 8.626 1.00 0.00 H new ATOM 996 N ALA A 62 -2.447 -9.259 4.633 1.00 0.00 N ATOM 997 CA ALA A 62 -3.318 -9.563 3.505 1.00 0.00 C ATOM 998 C ALA A 62 -3.260 -11.044 3.150 1.00 0.00 C ATOM 999 O ALA A 62 -2.235 -11.542 2.683 1.00 0.00 O ATOM 1000 CB ALA A 62 -2.938 -8.714 2.301 1.00 0.00 C ATOM 0 H ALA A 62 -1.573 -9.784 4.644 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.342 -9.326 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.597 -8.952 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.039 -7.658 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.906 -8.923 2.020 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.367 -11.746 3.374 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.442 -13.172 3.078 1.00 0.00 C ATOM 1008 C HIS A 63 -4.091 -13.442 1.617 1.00 0.00 C ATOM 1009 O HIS A 63 -4.284 -12.585 0.754 1.00 0.00 O ATOM 1010 CB HIS A 63 -5.841 -13.706 3.386 1.00 0.00 C ATOM 1011 CG HIS A 63 -5.902 -15.199 3.491 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -6.594 -15.988 2.597 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -5.352 -16.047 4.391 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -6.467 -17.257 2.943 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -5.718 -17.319 4.029 1.00 0.00 N ATOM 0 H HIS A 63 -5.224 -11.350 3.760 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.718 -13.688 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.190 -13.270 4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.527 -13.376 2.606 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.122 -15.646 1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.739 -15.773 5.237 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.902 -18.100 2.426 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.575 -14.637 1.349 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.199 -15.019 -0.006 1.00 0.00 C ATOM 1025 C ILE A 64 -4.138 -16.086 -0.558 1.00 0.00 C ATOM 1026 O ILE A 64 -4.603 -16.957 0.176 1.00 0.00 O ATOM 1027 CB ILE A 64 -1.752 -15.545 -0.062 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -0.782 -14.491 0.477 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.384 -15.933 -1.486 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.629 -15.005 0.656 1.00 0.00 C ATOM 0 H ILE A 64 -3.408 -15.357 2.052 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.274 -14.121 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.679 -16.433 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.767 -13.641 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.151 -14.125 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.359 -16.303 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.059 -16.714 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.470 -15.061 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.262 -14.205 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.627 -15.837 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.017 -15.344 -0.304 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.410 -16.013 -1.856 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.293 -16.975 -2.507 1.00 0.00 C ATOM 1044 C ASN A 65 -5.034 -17.021 -4.010 1.00 0.00 C ATOM 1045 O ASN A 65 -4.503 -16.073 -4.589 1.00 0.00 O ATOM 1046 CB ASN A 65 -6.757 -16.616 -2.242 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.659 -17.835 -2.236 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -8.668 -17.877 -2.941 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -7.299 -18.834 -1.439 1.00 0.00 N ATOM 0 H ASN A 65 -4.032 -15.298 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.086 -17.960 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.835 -16.105 -1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.101 -15.917 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.867 -19.680 -1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.455 -18.755 -0.872 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.413 -18.129 -4.636 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.224 -18.300 -6.072 1.00 0.00 C ATOM 1058 C LYS A 66 -5.801 -17.117 -6.841 1.00 0.00 C ATOM 1059 O LYS A 66 -5.089 -16.434 -7.576 1.00 0.00 O ATOM 1060 CB LYS A 66 -5.883 -19.599 -6.543 1.00 0.00 C ATOM 1061 CG LYS A 66 -4.964 -20.807 -6.474 1.00 0.00 C ATOM 1062 CD LYS A 66 -4.956 -21.423 -5.085 1.00 0.00 C ATOM 1063 CE LYS A 66 -6.087 -22.425 -4.914 1.00 0.00 C ATOM 1064 NZ LYS A 66 -5.858 -23.661 -5.712 1.00 0.00 N ATOM 0 H LYS A 66 -5.853 -18.923 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.153 -18.351 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.767 -19.790 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.225 -19.471 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.286 -21.552 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.951 -20.511 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.001 -21.918 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.049 -20.636 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.185 -22.686 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.028 -21.966 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.438 -24.434 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.122 -23.488 -6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.853 -23.925 -5.662 1.00 0.00 H new ATOM 1078 N GLY A 67 -7.098 -16.878 -6.666 1.00 0.00 N ATOM 1079 CA GLY A 67 -7.748 -15.775 -7.349 1.00 0.00 C ATOM 1080 C GLY A 67 -8.123 -14.649 -6.407 1.00 0.00 C ATOM 1081 O GLY A 67 -9.284 -14.514 -6.021 1.00 0.00 O ATOM 0 H GLY A 67 -7.709 -17.429 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.085 -15.390 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.645 -16.140 -7.849 1.00 0.00 H new ATOM 1085 N ARG A 68 -7.137 -13.839 -6.034 1.00 0.00 N ATOM 1086 CA ARG A 68 -7.369 -12.721 -5.128 1.00 0.00 C ATOM 1087 C ARG A 68 -6.857 -11.416 -5.732 1.00 0.00 C ATOM 1088 O ARG A 68 -5.656 -11.244 -5.937 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.684 -12.975 -3.783 1.00 0.00 C ATOM 1090 CG ARG A 68 -7.372 -12.295 -2.611 1.00 0.00 C ATOM 1091 CD ARG A 68 -6.855 -12.820 -1.281 1.00 0.00 C ATOM 1092 NE ARG A 68 -7.614 -12.289 -0.151 1.00 0.00 N ATOM 1093 CZ ARG A 68 -8.820 -12.726 0.194 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.401 -13.695 -0.500 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -9.447 -12.193 1.235 1.00 0.00 N ATOM 0 H ARG A 68 -6.171 -13.936 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.444 -12.632 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.649 -14.049 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.652 -12.628 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.209 -11.219 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.448 -12.458 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.910 -13.909 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.804 -12.553 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.195 -11.542 0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.922 -14.107 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.327 -14.029 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.003 -11.447 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.373 -12.529 1.499 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.778 -10.500 -6.016 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.420 -9.212 -6.596 1.00 0.00 C ATOM 1111 C VAL A 69 -7.627 -8.081 -5.595 1.00 0.00 C ATOM 1112 O VAL A 69 -8.609 -8.067 -4.853 1.00 0.00 O ATOM 1113 CB VAL A 69 -8.247 -8.918 -7.863 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.872 -9.879 -8.980 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.735 -8.996 -7.557 1.00 0.00 C ATOM 0 H VAL A 69 -8.777 -10.627 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.365 -9.268 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.021 -7.905 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.466 -9.656 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.813 -9.768 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.067 -10.903 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.304 -8.786 -8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.981 -9.995 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.988 -8.263 -6.791 1.00 0.00 H new ATOM 1125 N MET A 70 -6.695 -7.134 -5.579 1.00 0.00 N ATOM 1126 CA MET A 70 -6.776 -5.998 -4.668 1.00 0.00 C ATOM 1127 C MET A 70 -6.951 -4.694 -5.440 1.00 0.00 C ATOM 1128 O MET A 70 -6.305 -4.479 -6.465 1.00 0.00 O ATOM 1129 CB MET A 70 -5.520 -5.924 -3.798 1.00 0.00 C ATOM 1130 CG MET A 70 -5.425 -4.650 -2.975 1.00 0.00 C ATOM 1131 SD MET A 70 -4.279 -4.800 -1.591 1.00 0.00 S ATOM 1132 CE MET A 70 -2.749 -5.149 -2.454 1.00 0.00 C ATOM 0 H MET A 70 -5.875 -7.131 -6.186 1.00 0.00 H new ATOM 0 HA MET A 70 -7.646 -6.140 -4.026 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.502 -6.783 -3.127 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.640 -6.000 -4.437 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.106 -3.830 -3.618 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.414 -4.392 -2.596 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.989 -5.460 -1.737 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.913 -5.948 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.412 -4.252 -2.974 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.828 -3.829 -4.941 1.00 0.00 N ATOM 1143 CA GLN A 71 -8.088 -2.548 -5.586 1.00 0.00 C ATOM 1144 C GLN A 71 -7.925 -1.398 -4.597 1.00 0.00 C ATOM 1145 O GLN A 71 -8.688 -1.280 -3.638 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.497 -2.528 -6.182 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.774 -1.311 -7.049 1.00 0.00 C ATOM 1148 CD GLN A 71 -11.129 -1.373 -7.725 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -12.106 -1.844 -7.142 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.196 -0.897 -8.963 1.00 0.00 N ATOM 0 H GLN A 71 -8.370 -3.992 -4.093 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.361 -2.420 -6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.643 -3.429 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.226 -2.560 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.719 -0.412 -6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.997 -1.226 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.362 -0.516 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.082 -0.913 -9.468 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.928 -0.554 -4.838 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.666 0.587 -3.969 1.00 0.00 C ATOM 1161 C ILE A 72 -7.398 1.831 -4.459 1.00 0.00 C ATOM 1162 O ILE A 72 -6.953 2.497 -5.395 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.159 0.892 -3.879 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.396 -0.336 -3.379 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.914 2.084 -2.966 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.893 -0.190 -3.466 1.00 0.00 C ATOM 0 H ILE A 72 -6.288 -0.638 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.033 0.320 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.794 1.141 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.675 -0.530 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.703 -1.206 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.844 2.287 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.430 2.958 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.292 1.862 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.417 -1.098 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.603 -0.026 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.574 0.660 -2.862 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.522 2.140 -3.821 1.00 0.00 N ATOM 1179 CA ILE A 73 -9.314 3.307 -4.191 1.00 0.00 C ATOM 1180 C ILE A 73 -9.182 4.413 -3.150 1.00 0.00 C ATOM 1181 O ILE A 73 -9.478 4.210 -1.972 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.802 2.947 -4.357 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.965 1.809 -5.367 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -11.596 4.169 -4.795 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -12.399 1.363 -5.547 1.00 0.00 C ATOM 0 H ILE A 73 -8.905 1.599 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.926 3.663 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.189 2.611 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.569 2.129 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.366 0.958 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.646 3.899 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.502 4.953 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.210 4.532 -5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.440 0.554 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.793 1.012 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.999 2.201 -5.901 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.738 5.585 -3.592 1.00 0.00 N ATOM 1198 CA VAL A 74 -8.570 6.725 -2.700 1.00 0.00 C ATOM 1199 C VAL A 74 -9.874 7.500 -2.546 1.00 0.00 C ATOM 1200 O VAL A 74 -10.367 8.104 -3.498 1.00 0.00 O ATOM 1201 CB VAL A 74 -7.476 7.682 -3.210 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -7.192 8.766 -2.182 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -6.209 6.909 -3.547 1.00 0.00 C ATOM 0 H VAL A 74 -8.488 5.770 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.271 6.326 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.834 8.164 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.417 9.432 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.101 9.337 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.854 8.307 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.446 7.600 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.846 6.399 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.426 6.174 -4.322 1.00 0.00 H new ATOM 1213 N LYS A 75 -10.430 7.477 -1.339 1.00 0.00 N ATOM 1214 CA LYS A 75 -11.677 8.178 -1.058 1.00 0.00 C ATOM 1215 C LYS A 75 -11.437 9.365 -0.130 1.00 0.00 C ATOM 1216 O LYS A 75 -10.489 9.370 0.654 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.693 7.222 -0.427 1.00 0.00 C ATOM 1218 CG LYS A 75 -13.209 6.164 -1.387 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.876 5.017 -0.647 1.00 0.00 C ATOM 1220 CE LYS A 75 -14.973 4.377 -1.483 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.441 3.302 -2.367 1.00 0.00 N ATOM 0 H LYS A 75 -10.036 6.980 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.075 8.551 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.233 6.730 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.536 7.799 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.921 6.615 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.383 5.780 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.129 4.266 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.297 5.383 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.736 3.961 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.458 5.140 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.220 2.891 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.731 3.703 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.000 2.561 -1.786 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.139 10.240 -6.793 1.00 0.00 N ATOM 1326 CA ILE A 82 -8.941 10.964 -7.199 1.00 0.00 C ATOM 1327 C ILE A 82 -8.022 10.081 -8.038 1.00 0.00 C ATOM 1328 O ILE A 82 -7.497 10.513 -9.064 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.158 11.487 -5.980 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.061 12.356 -5.102 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -6.936 12.271 -6.432 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -9.080 11.934 -3.650 1.00 0.00 C ATOM 0 HA ILE A 82 -9.274 11.812 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.820 10.635 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.728 13.392 -5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.077 12.322 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.393 12.634 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.286 11.624 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.252 13.118 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.740 12.594 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.441 10.908 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.072 11.995 -3.240 1.00 0.00 H new ATOM 1344 N SER A 83 -7.835 8.842 -7.594 1.00 0.00 N ATOM 1345 CA SER A 83 -6.979 7.898 -8.303 1.00 0.00 C ATOM 1346 C SER A 83 -7.340 6.461 -7.942 1.00 0.00 C ATOM 1347 O SER A 83 -7.833 6.190 -6.848 1.00 0.00 O ATOM 1348 CB SER A 83 -5.509 8.164 -7.974 1.00 0.00 C ATOM 1349 OG SER A 83 -5.139 7.546 -6.753 1.00 0.00 O ATOM 0 H SER A 83 -8.264 8.469 -6.747 1.00 0.00 H new ATOM 0 HA SER A 83 -7.136 8.036 -9.373 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.879 7.789 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.337 9.238 -7.908 1.00 0.00 H new ATOM 0 HG SER A 83 -4.685 8.199 -6.180 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.091 5.543 -8.872 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.391 4.133 -8.652 1.00 0.00 C ATOM 1357 C GLU A 84 -6.394 3.244 -9.389 1.00 0.00 C ATOM 1358 O GLU A 84 -5.839 3.632 -10.418 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.815 3.814 -9.115 1.00 0.00 C ATOM 1360 CG GLU A 84 -9.000 3.903 -10.620 1.00 0.00 C ATOM 1361 CD GLU A 84 -10.421 4.255 -11.013 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -11.329 3.440 -10.747 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -10.626 5.345 -11.587 1.00 0.00 O ATOM 0 H GLU A 84 -6.683 5.751 -9.783 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.310 3.932 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.079 2.810 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.508 4.502 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.319 4.653 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.727 2.950 -11.073 1.00 0.00 H new ATOM 1370 N THR A 85 -6.170 2.047 -8.855 1.00 0.00 N ATOM 1371 CA THR A 85 -5.239 1.102 -9.460 1.00 0.00 C ATOM 1372 C THR A 85 -5.649 -0.336 -9.167 1.00 0.00 C ATOM 1373 O THR A 85 -6.448 -0.595 -8.266 1.00 0.00 O ATOM 1374 CB THR A 85 -3.802 1.328 -8.953 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.884 0.536 -9.715 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.686 0.971 -7.479 1.00 0.00 C ATOM 0 H THR A 85 -6.621 1.709 -8.005 1.00 0.00 H new ATOM 0 HA THR A 85 -5.268 1.273 -10.536 1.00 0.00 H new ATOM 0 HB THR A 85 -3.559 2.383 -9.075 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.973 0.686 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.663 1.139 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.365 1.596 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.947 -0.078 -7.337 1.00 0.00 H new ATOM 1384 N THR A 86 -5.097 -1.272 -9.934 1.00 0.00 N ATOM 1385 CA THR A 86 -5.405 -2.685 -9.758 1.00 0.00 C ATOM 1386 C THR A 86 -4.137 -3.501 -9.537 1.00 0.00 C ATOM 1387 O THR A 86 -3.122 -3.281 -10.199 1.00 0.00 O ATOM 1388 CB THR A 86 -6.161 -3.251 -10.974 1.00 0.00 C ATOM 1389 OG1 THR A 86 -7.113 -2.293 -11.449 1.00 0.00 O ATOM 1390 CG2 THR A 86 -6.874 -4.546 -10.614 1.00 0.00 C ATOM 0 H THR A 86 -4.434 -1.076 -10.684 1.00 0.00 H new ATOM 0 HA THR A 86 -6.041 -2.762 -8.876 1.00 0.00 H new ATOM 0 HB THR A 86 -5.435 -3.461 -11.759 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.588 -2.660 -12.223 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.401 -4.927 -11.489 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.143 -5.283 -10.281 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.589 -4.357 -9.813 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.201 -4.445 -8.604 1.00 0.00 N ATOM 1399 CA VAL A 87 -3.057 -5.296 -8.297 1.00 0.00 C ATOM 1400 C VAL A 87 -3.504 -6.708 -7.935 1.00 0.00 C ATOM 1401 O VAL A 87 -4.499 -6.894 -7.235 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.224 -4.720 -7.137 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -3.095 -4.505 -5.909 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -1.053 -5.637 -6.817 1.00 0.00 C ATOM 0 H VAL A 87 -5.033 -4.640 -8.047 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.440 -5.332 -9.195 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.826 -3.753 -7.443 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.489 -4.098 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.896 -3.806 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.525 -5.457 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.475 -5.215 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.428 -6.619 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.416 -5.734 -7.696 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.761 -7.700 -8.418 1.00 0.00 N ATOM 1415 CA GLU A 88 -3.082 -9.096 -8.144 1.00 0.00 C ATOM 1416 C GLU A 88 -2.315 -9.602 -6.927 1.00 0.00 C ATOM 1417 O GLU A 88 -1.086 -9.694 -6.947 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.759 -9.964 -9.362 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.819 -9.906 -10.450 1.00 0.00 C ATOM 1420 CD GLU A 88 -3.315 -10.423 -11.783 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -2.504 -9.723 -12.424 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.732 -11.530 -12.185 1.00 0.00 O ATOM 0 H GLU A 88 -1.934 -7.563 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.149 -9.162 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.804 -9.647 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.638 -10.998 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.684 -10.492 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.157 -8.877 -10.568 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.047 -9.930 -5.868 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.436 -10.427 -4.640 1.00 0.00 C ATOM 1431 C LEU A 89 -1.768 -11.779 -4.872 1.00 0.00 C ATOM 1432 O LEU A 89 -0.734 -12.082 -4.276 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.488 -10.549 -3.536 1.00 0.00 C ATOM 1434 CG LEU A 89 -3.821 -9.262 -2.782 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.038 -9.464 -1.891 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -2.627 -8.801 -1.959 1.00 0.00 C ATOM 0 H LEU A 89 -4.064 -9.861 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.673 -9.713 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.406 -10.936 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.145 -11.291 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.055 -8.487 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.260 -8.537 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.894 -9.746 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.833 -10.254 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.883 -7.883 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.362 -9.574 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.780 -8.615 -2.619 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.364 -12.586 -5.743 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.827 -13.905 -6.054 1.00 0.00 C ATOM 1450 C TYR A 90 -0.427 -13.796 -6.650 1.00 0.00 C ATOM 1451 O TYR A 90 0.544 -14.293 -6.078 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.752 -14.639 -7.027 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.221 -15.983 -7.469 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.826 -16.937 -6.539 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -2.116 -16.301 -8.818 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.340 -18.166 -6.939 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.632 -17.529 -9.227 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.245 -18.458 -8.284 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.762 -19.682 -8.687 1.00 0.00 O ATOM 0 H TYR A 90 -3.219 -12.350 -6.246 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.764 -14.472 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.724 -14.779 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.911 -14.014 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.900 -16.713 -5.485 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.418 -15.576 -9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.036 -18.895 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.557 -17.760 -10.279 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.761 -19.727 -9.666 1.00 0.00 H new ATOM 1469 N SER A 91 -0.330 -13.142 -7.803 1.00 0.00 N ATOM 1470 CA SER A 91 0.950 -12.970 -8.480 1.00 0.00 C ATOM 1471 C SER A 91 1.926 -12.191 -7.604 1.00 0.00 C ATOM 1472 O SER A 91 3.140 -12.385 -7.683 1.00 0.00 O ATOM 1473 CB SER A 91 0.753 -12.246 -9.813 1.00 0.00 C ATOM 1474 OG SER A 91 -0.488 -12.594 -10.403 1.00 0.00 O ATOM 0 H SER A 91 -1.123 -12.722 -8.288 1.00 0.00 H new ATOM 0 HA SER A 91 1.368 -13.958 -8.671 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.795 -11.168 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.566 -12.500 -10.492 1.00 0.00 H new ATOM 0 HG SER A 91 -0.591 -12.117 -11.253 1.00 0.00 H new ATOM 1480 N LEU A 92 1.388 -11.309 -6.769 1.00 0.00 N ATOM 1481 CA LEU A 92 2.211 -10.499 -5.878 1.00 0.00 C ATOM 1482 C LEU A 92 3.009 -11.380 -4.923 1.00 0.00 C ATOM 1483 O LEU A 92 4.203 -11.166 -4.716 1.00 0.00 O ATOM 1484 CB LEU A 92 1.334 -9.530 -5.083 1.00 0.00 C ATOM 1485 CG LEU A 92 2.058 -8.654 -4.059 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.164 -7.853 -4.729 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.075 -7.727 -3.359 1.00 0.00 C ATOM 0 H LEU A 92 0.386 -11.137 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 92 2.912 -9.929 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.817 -8.879 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.570 -10.107 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 92 2.510 -9.303 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.668 -7.236 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.883 -8.535 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.734 -7.214 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.608 -7.112 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.593 -7.084 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.319 -8.320 -2.845 1.00 0.00 H new ATOM 1499 N ALA A 93 2.342 -12.373 -4.344 1.00 0.00 N ATOM 1500 CA ALA A 93 2.990 -13.290 -3.415 1.00 0.00 C ATOM 1501 C ALA A 93 4.221 -13.931 -4.045 1.00 0.00 C ATOM 1502 O ALA A 93 5.199 -14.226 -3.358 1.00 0.00 O ATOM 1503 CB ALA A 93 2.009 -14.361 -2.959 1.00 0.00 C ATOM 0 H ALA A 93 1.352 -12.563 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 93 3.315 -12.718 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.507 -15.039 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.162 -13.890 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.655 -14.922 -3.824 1.00 0.00 H new ATOM 1509 N GLU A 94 4.167 -14.144 -5.356 1.00 0.00 N ATOM 1510 CA GLU A 94 5.279 -14.752 -6.077 1.00 0.00 C ATOM 1511 C GLU A 94 6.373 -13.726 -6.355 1.00 0.00 C ATOM 1512 O GLU A 94 7.561 -14.020 -6.224 1.00 0.00 O ATOM 1513 CB GLU A 94 4.789 -15.362 -7.393 1.00 0.00 C ATOM 1514 CG GLU A 94 3.846 -16.538 -7.205 1.00 0.00 C ATOM 1515 CD GLU A 94 4.581 -17.851 -7.020 1.00 0.00 C ATOM 1516 OE1 GLU A 94 5.462 -17.920 -6.138 1.00 0.00 O ATOM 1517 OE2 GLU A 94 4.274 -18.811 -7.758 1.00 0.00 O ATOM 0 H GLU A 94 3.366 -13.905 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 94 5.696 -15.541 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.284 -14.591 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.651 -15.688 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.212 -16.355 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.188 -16.613 -8.071 1.00 0.00 H new ATOM 1524 N ARG A 95 5.963 -12.522 -6.741 1.00 0.00 N ATOM 1525 CA ARG A 95 6.908 -11.453 -7.039 1.00 0.00 C ATOM 1526 C ARG A 95 7.876 -11.243 -5.878 1.00 0.00 C ATOM 1527 O ARG A 95 9.068 -11.012 -6.085 1.00 0.00 O ATOM 1528 CB ARG A 95 6.160 -10.151 -7.336 1.00 0.00 C ATOM 1529 CG ARG A 95 5.480 -10.136 -8.695 1.00 0.00 C ATOM 1530 CD ARG A 95 4.984 -8.744 -9.054 1.00 0.00 C ATOM 1531 NE ARG A 95 4.469 -8.682 -10.419 1.00 0.00 N ATOM 1532 CZ ARG A 95 4.124 -7.550 -11.023 1.00 0.00 C ATOM 1533 NH1 ARG A 95 4.239 -6.393 -10.387 1.00 0.00 N ATOM 1534 NH2 ARG A 95 3.662 -7.575 -12.267 1.00 0.00 N ATOM 0 H ARG A 95 4.983 -12.263 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 95 7.482 -11.744 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.410 -9.988 -6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.861 -9.318 -7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.179 -10.482 -9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.642 -10.833 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.200 -8.447 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.799 -8.029 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 95 4.369 -9.555 -10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.593 -6.370 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.973 -5.526 -10.854 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.572 -8.464 -12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.397 -6.706 -12.730 1.00 0.00 H new ATOM 1548 N CYS A 96 7.355 -11.323 -4.659 1.00 0.00 N ATOM 1549 CA CYS A 96 8.173 -11.140 -3.465 1.00 0.00 C ATOM 1550 C CYS A 96 9.281 -12.186 -3.399 1.00 0.00 C ATOM 1551 O CYS A 96 10.451 -11.854 -3.206 1.00 0.00 O ATOM 1552 CB CYS A 96 7.303 -11.222 -2.209 1.00 0.00 C ATOM 1553 SG CYS A 96 5.860 -10.133 -2.238 1.00 0.00 S ATOM 0 H CYS A 96 6.371 -11.513 -4.471 1.00 0.00 H new ATOM 0 HA CYS A 96 8.633 -10.153 -3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.966 -12.251 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.914 -10.975 -1.340 1.00 0.00 H new ATOM 0 HG CYS A 96 5.089 -10.461 -3.232 1.00 0.00 H new ATOM 1559 N ARG A 97 8.904 -13.451 -3.560 1.00 0.00 N ATOM 1560 CA ARG A 97 9.866 -14.546 -3.517 1.00 0.00 C ATOM 1561 C ARG A 97 11.015 -14.299 -4.490 1.00 0.00 C ATOM 1562 O ARG A 97 12.171 -14.601 -4.192 1.00 0.00 O ATOM 1563 CB ARG A 97 9.178 -15.871 -3.850 1.00 0.00 C ATOM 1564 CG ARG A 97 8.135 -16.289 -2.826 1.00 0.00 C ATOM 1565 CD ARG A 97 7.405 -17.551 -3.258 1.00 0.00 C ATOM 1566 NE ARG A 97 8.309 -18.692 -3.377 1.00 0.00 N ATOM 1567 CZ ARG A 97 7.992 -19.819 -4.006 1.00 0.00 C ATOM 1568 NH1 ARG A 97 6.799 -19.954 -4.570 1.00 0.00 N ATOM 1569 NH2 ARG A 97 8.868 -20.813 -4.072 1.00 0.00 N ATOM 0 H ARG A 97 7.940 -13.742 -3.721 1.00 0.00 H new ATOM 0 HA ARG A 97 10.273 -14.599 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.703 -15.788 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.933 -16.653 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.616 -16.457 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.416 -15.481 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.622 -17.782 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.914 -17.376 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 97 9.234 -18.620 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.123 -19.192 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.558 -20.820 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.786 -20.713 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.623 -21.677 -4.555 1.00 0.00 H new ATOM 1583 N LYS A 98 10.690 -13.748 -5.654 1.00 0.00 N ATOM 1584 CA LYS A 98 11.694 -13.459 -6.672 1.00 0.00 C ATOM 1585 C LYS A 98 12.794 -12.563 -6.112 1.00 0.00 C ATOM 1586 O LYS A 98 13.926 -12.579 -6.594 1.00 0.00 O ATOM 1587 CB LYS A 98 11.043 -12.789 -7.884 1.00 0.00 C ATOM 1588 CG LYS A 98 9.821 -13.526 -8.404 1.00 0.00 C ATOM 1589 CD LYS A 98 9.611 -13.279 -9.888 1.00 0.00 C ATOM 1590 CE LYS A 98 10.508 -14.170 -10.734 1.00 0.00 C ATOM 1591 NZ LYS A 98 10.443 -13.810 -12.178 1.00 0.00 N ATOM 0 H LYS A 98 9.738 -13.492 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 98 12.142 -14.403 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.757 -11.772 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.779 -12.712 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.936 -14.595 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.938 -13.204 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.568 -13.463 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.816 -12.233 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.537 -14.086 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.212 -15.211 -10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.068 -14.440 -12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.466 -13.914 -12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.750 -12.824 -12.304 1.00 0.00 H new ATOM 1605 N ASN A 99 12.454 -11.784 -5.090 1.00 0.00 N ATOM 1606 CA ASN A 99 13.413 -10.882 -4.464 1.00 0.00 C ATOM 1607 C ASN A 99 14.041 -11.525 -3.232 1.00 0.00 C ATOM 1608 O ASN A 99 14.478 -10.834 -2.313 1.00 0.00 O ATOM 1609 CB ASN A 99 12.732 -9.568 -4.076 1.00 0.00 C ATOM 1610 CG ASN A 99 12.693 -8.576 -5.223 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.138 -7.437 -5.089 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.157 -9.007 -6.359 1.00 0.00 N ATOM 0 H ASN A 99 11.521 -11.760 -4.678 1.00 0.00 H new ATOM 0 HA ASN A 99 14.203 -10.675 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.715 -9.774 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.260 -9.123 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.102 -8.385 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.800 -9.960 -6.425 1.00 0.00 H new ATOM 1619 N ASN A 100 14.082 -12.854 -3.221 1.00 0.00 N ATOM 1620 CA ASN A 100 14.656 -13.591 -2.101 1.00 0.00 C ATOM 1621 C ASN A 100 13.971 -13.213 -0.792 1.00 0.00 C ATOM 1622 O ASN A 100 14.575 -13.274 0.278 1.00 0.00 O ATOM 1623 CB ASN A 100 16.158 -13.319 -2.001 1.00 0.00 C ATOM 1624 CG ASN A 100 16.968 -14.192 -2.940 1.00 0.00 C ATOM 1625 OD1 ASN A 100 16.534 -14.496 -4.052 1.00 0.00 O ATOM 1626 ND2 ASN A 100 18.151 -14.600 -2.496 1.00 0.00 N ATOM 0 H ASN A 100 13.725 -13.442 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 100 14.497 -14.655 -2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.350 -12.270 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.488 -13.489 -0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.740 -15.190 -3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.470 -14.324 -1.568 1.00 0.00 H new ATOM 1633 N GLY A 101 12.703 -12.822 -0.885 1.00 0.00 N ATOM 1634 CA GLY A 101 11.956 -12.440 0.299 1.00 0.00 C ATOM 1635 C GLY A 101 10.868 -11.429 -0.003 1.00 0.00 C ATOM 1636 O GLY A 101 9.707 -11.792 -0.195 1.00 0.00 O ATOM 0 H GLY A 101 12.180 -12.763 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.509 -13.328 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.640 -12.023 1.038 1.00 0.00 H new ATOM 1640 N LYS A 102 11.242 -10.155 -0.044 1.00 0.00 N ATOM 1641 CA LYS A 102 10.290 -9.086 -0.324 1.00 0.00 C ATOM 1642 C LYS A 102 10.717 -8.285 -1.550 1.00 0.00 C ATOM 1643 O LYS A 102 11.902 -8.010 -1.743 1.00 0.00 O ATOM 1644 CB LYS A 102 10.162 -8.158 0.886 1.00 0.00 C ATOM 1645 CG LYS A 102 11.469 -7.493 1.283 1.00 0.00 C ATOM 1646 CD LYS A 102 11.573 -6.086 0.719 1.00 0.00 C ATOM 1647 CE LYS A 102 11.056 -5.051 1.706 1.00 0.00 C ATOM 1648 NZ LYS A 102 11.202 -3.664 1.183 1.00 0.00 N ATOM 0 H LYS A 102 12.198 -9.837 0.113 1.00 0.00 H new ATOM 0 HA LYS A 102 9.321 -9.541 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.424 -7.387 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.783 -8.729 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.544 -7.457 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.306 -8.092 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.612 -5.868 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.004 -6.022 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.006 -5.249 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.599 -5.143 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.693 -3.077 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.754 -3.682 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.261 -3.263 0.994 1.00 0.00 H new ATOM 1662 N THR A 103 9.744 -7.911 -2.376 1.00 0.00 N ATOM 1663 CA THR A 103 10.019 -7.141 -3.582 1.00 0.00 C ATOM 1664 C THR A 103 9.394 -5.753 -3.503 1.00 0.00 C ATOM 1665 O THR A 103 8.424 -5.541 -2.777 1.00 0.00 O ATOM 1666 CB THR A 103 9.492 -7.859 -4.839 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.953 -7.186 -6.017 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.971 -7.905 -4.838 1.00 0.00 C ATOM 0 H THR A 103 8.758 -8.129 -2.231 1.00 0.00 H new ATOM 0 HA THR A 103 11.102 -7.044 -3.655 1.00 0.00 H new ATOM 0 HB THR A 103 9.871 -8.881 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.615 -7.649 -6.812 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.622 -8.417 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.624 -8.442 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.576 -6.889 -4.823 1.00 0.00 H new ATOM 1676 N GLU A 104 9.957 -4.812 -4.255 1.00 0.00 N ATOM 1677 CA GLU A 104 9.453 -3.444 -4.269 1.00 0.00 C ATOM 1678 C GLU A 104 8.763 -3.131 -5.594 1.00 0.00 C ATOM 1679 O GLU A 104 9.333 -3.337 -6.666 1.00 0.00 O ATOM 1680 CB GLU A 104 10.595 -2.454 -4.030 1.00 0.00 C ATOM 1681 CG GLU A 104 11.026 -2.362 -2.576 1.00 0.00 C ATOM 1682 CD GLU A 104 12.287 -1.540 -2.392 1.00 0.00 C ATOM 1683 OE1 GLU A 104 12.483 -0.576 -3.161 1.00 0.00 O ATOM 1684 OE2 GLU A 104 13.077 -1.860 -1.480 1.00 0.00 O ATOM 0 H GLU A 104 10.761 -4.972 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 104 8.722 -3.345 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.452 -2.747 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.286 -1.466 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.220 -1.921 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.191 -3.366 -2.186 1.00 0.00 H new ATOM 1691 N ILE A 105 7.534 -2.634 -5.511 1.00 0.00 N ATOM 1692 CA ILE A 105 6.767 -2.293 -6.703 1.00 0.00 C ATOM 1693 C ILE A 105 6.182 -0.888 -6.596 1.00 0.00 C ATOM 1694 O ILE A 105 5.742 -0.468 -5.526 1.00 0.00 O ATOM 1695 CB ILE A 105 5.623 -3.296 -6.943 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.181 -4.713 -7.087 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.827 -2.906 -8.179 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.141 -5.795 -6.897 1.00 0.00 C ATOM 0 H ILE A 105 7.048 -2.458 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 105 7.458 -2.334 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 105 4.954 -3.275 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.628 -4.820 -8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.979 -4.856 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.022 -3.624 -8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.404 -1.911 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.484 -2.902 -9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.608 -6.773 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.711 -5.715 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.354 -5.678 -7.642 1.00 0.00 H new ATOM 1710 N TRP A 106 6.179 -0.169 -7.713 1.00 0.00 N ATOM 1711 CA TRP A 106 5.646 1.188 -7.746 1.00 0.00 C ATOM 1712 C TRP A 106 4.276 1.219 -8.415 1.00 0.00 C ATOM 1713 O TRP A 106 4.161 1.031 -9.627 1.00 0.00 O ATOM 1714 CB TRP A 106 6.609 2.119 -8.485 1.00 0.00 C ATOM 1715 CG TRP A 106 7.675 2.692 -7.602 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.948 2.223 -7.444 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.561 3.841 -6.754 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.632 3.011 -6.549 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.803 4.010 -6.112 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.530 4.743 -6.477 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 9.039 5.045 -5.211 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.766 5.769 -5.582 1.00 0.00 C ATOM 1723 CH2 TRP A 106 8.013 5.914 -4.958 1.00 0.00 C ATOM 0 H TRP A 106 6.539 -0.503 -8.607 1.00 0.00 H new ATOM 0 HA TRP A 106 5.536 1.533 -6.718 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.079 1.570 -9.301 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.042 2.934 -8.934 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.357 1.360 -7.948 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.600 2.874 -6.258 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.566 4.640 -6.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.999 5.158 -4.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.976 6.471 -5.359 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.167 6.727 -4.264 1.00 0.00 H new ATOM 1734 N LEU A 107 3.239 1.457 -7.619 1.00 0.00 N ATOM 1735 CA LEU A 107 1.876 1.513 -8.135 1.00 0.00 C ATOM 1736 C LEU A 107 1.659 2.773 -8.966 1.00 0.00 C ATOM 1737 O LEU A 107 2.101 3.858 -8.591 1.00 0.00 O ATOM 1738 CB LEU A 107 0.871 1.469 -6.982 1.00 0.00 C ATOM 1739 CG LEU A 107 0.791 0.151 -6.211 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.071 0.311 -4.968 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.245 -0.956 -7.102 1.00 0.00 C ATOM 0 H LEU A 107 3.316 1.614 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 107 1.721 0.646 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.120 2.264 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.118 1.695 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 107 1.797 -0.126 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.116 -0.637 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.362 1.073 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.077 0.612 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.195 -1.887 -6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.753 -0.687 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.902 -1.088 -7.962 1.00 0.00 H new ATOM 1753 N GLU A 108 0.974 2.621 -10.095 1.00 0.00 N ATOM 1754 CA GLU A 108 0.698 3.748 -10.978 1.00 0.00 C ATOM 1755 C GLU A 108 -0.787 4.101 -10.962 1.00 0.00 C ATOM 1756 O GLU A 108 -1.569 3.578 -11.757 1.00 0.00 O ATOM 1757 CB GLU A 108 1.142 3.427 -12.407 1.00 0.00 C ATOM 1758 CG GLU A 108 0.707 2.051 -12.884 1.00 0.00 C ATOM 1759 CD GLU A 108 0.589 1.968 -14.393 1.00 0.00 C ATOM 1760 OE1 GLU A 108 -0.132 2.802 -14.980 1.00 0.00 O ATOM 1761 OE2 GLU A 108 1.218 1.068 -14.988 1.00 0.00 O ATOM 0 H GLU A 108 0.600 1.729 -10.420 1.00 0.00 H new ATOM 0 HA GLU A 108 1.262 4.607 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.738 4.181 -13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.228 3.496 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.424 1.307 -12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.254 1.801 -12.434 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.168 4.990 -10.052 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.558 5.414 -9.931 1.00 0.00 C ATOM 1770 C LEU A 109 -2.927 6.395 -11.039 1.00 0.00 C ATOM 1771 O LEU A 109 -2.161 7.304 -11.359 1.00 0.00 O ATOM 1772 CB LEU A 109 -2.799 6.056 -8.564 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.160 5.349 -7.368 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.170 6.254 -6.146 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.882 4.042 -7.073 1.00 0.00 C ATOM 0 H LEU A 109 -0.533 5.432 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.191 4.532 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.428 7.080 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.874 6.112 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.124 5.120 -7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.711 5.734 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.608 7.163 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.198 6.515 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.414 3.552 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.928 4.248 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.822 3.389 -7.943 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.107 6.207 -11.620 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.581 7.077 -12.690 1.00 0.00 C ATOM 1789 C LYS A 110 -5.930 7.693 -12.333 1.00 0.00 C ATOM 1790 O LYS A 110 -6.659 7.202 -11.472 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.697 6.293 -13.999 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.397 6.217 -14.780 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.648 5.996 -16.262 1.00 0.00 C ATOM 1794 CE LYS A 110 -2.385 6.213 -17.081 1.00 0.00 C ATOM 1795 NZ LYS A 110 -2.678 6.308 -18.538 1.00 0.00 N ATOM 0 H LYS A 110 -4.753 5.459 -11.368 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.857 7.881 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.038 5.282 -13.778 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.460 6.757 -14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.833 7.139 -14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.784 5.405 -14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.017 4.983 -16.422 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.427 6.677 -16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.890 7.126 -16.750 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.691 5.391 -16.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.792 6.456 -19.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.127 5.427 -18.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.320 7.108 -18.712 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.275 8.798 -13.011 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.510 9.487 -14.054 1.00 0.00 C ATOM 1811 C PRO A 111 -4.267 10.177 -13.502 1.00 0.00 C ATOM 1812 O PRO A 111 -3.353 10.520 -14.251 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.500 10.521 -14.595 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.444 10.767 -13.469 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.560 9.460 -12.734 1.00 0.00 C ATOM 0 HA PRO A 111 -5.138 8.796 -14.810 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -5.991 11.438 -14.893 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.023 10.146 -15.475 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.071 11.553 -12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.416 11.095 -13.839 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.712 9.612 -11.665 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.402 8.870 -13.095 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.242 10.377 -12.189 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.111 11.027 -11.537 1.00 0.00 C ATOM 1825 C GLN A 112 -2.869 10.438 -10.151 1.00 0.00 C ATOM 1826 O GLN A 112 -3.784 9.910 -9.522 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.354 12.533 -11.429 1.00 0.00 C ATOM 1828 CG GLN A 112 -3.723 13.187 -12.751 1.00 0.00 C ATOM 1829 CD GLN A 112 -3.794 14.698 -12.656 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -2.818 15.395 -12.933 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -4.953 15.213 -12.262 1.00 0.00 N ATOM 0 H GLN A 112 -4.991 10.099 -11.556 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.224 10.852 -12.146 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -4.152 12.713 -10.709 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.456 13.010 -11.035 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -2.989 12.909 -13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.686 12.802 -13.086 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -5.736 14.598 -12.042 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -5.060 16.224 -12.179 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.628 10.533 -9.682 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.288 10.004 -8.374 1.00 0.00 C ATOM 1842 C GLY A 113 -0.429 8.758 -8.457 1.00 0.00 C ATOM 1843 O GLY A 113 -0.491 8.018 -9.439 1.00 0.00 O ATOM 0 H GLY A 113 -0.853 10.966 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.760 10.768 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.204 9.774 -7.829 1.00 0.00 H new ATOM 1847 N ARG A 114 0.376 8.526 -7.425 1.00 0.00 N ATOM 1848 CA ARG A 114 1.253 7.362 -7.388 1.00 0.00 C ATOM 1849 C ARG A 114 1.718 7.078 -5.962 1.00 0.00 C ATOM 1850 O ARG A 114 2.028 7.997 -5.205 1.00 0.00 O ATOM 1851 CB ARG A 114 2.464 7.580 -8.297 1.00 0.00 C ATOM 1852 CG ARG A 114 3.320 8.770 -7.896 1.00 0.00 C ATOM 1853 CD ARG A 114 4.509 8.940 -8.828 1.00 0.00 C ATOM 1854 NE ARG A 114 4.114 9.479 -10.127 1.00 0.00 N ATOM 1855 CZ ARG A 114 4.972 9.732 -11.109 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.265 9.496 -10.942 1.00 0.00 N ATOM 1857 NH2 ARG A 114 4.535 10.222 -12.263 1.00 0.00 N ATOM 0 H ARG A 114 0.439 9.128 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 114 0.689 6.501 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.080 6.681 -8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.118 7.721 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.714 9.676 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.674 8.637 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.239 9.605 -8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.999 7.977 -8.969 1.00 0.00 H new ATOM 0 HE ARG A 114 3.125 9.672 -10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.604 9.119 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.921 9.691 -11.698 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.540 10.404 -12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.194 10.416 -13.017 1.00 0.00 H new ATOM 1871 N MET A 115 1.763 5.799 -5.604 1.00 0.00 N ATOM 1872 CA MET A 115 2.191 5.394 -4.270 1.00 0.00 C ATOM 1873 C MET A 115 3.079 4.155 -4.336 1.00 0.00 C ATOM 1874 O MET A 115 2.941 3.328 -5.239 1.00 0.00 O ATOM 1875 CB MET A 115 0.976 5.118 -3.383 1.00 0.00 C ATOM 1876 CG MET A 115 -0.003 4.124 -3.986 1.00 0.00 C ATOM 1877 SD MET A 115 -1.190 3.499 -2.781 1.00 0.00 S ATOM 1878 CE MET A 115 -2.414 4.807 -2.801 1.00 0.00 C ATOM 0 H MET A 115 1.509 5.026 -6.219 1.00 0.00 H new ATOM 0 HA MET A 115 2.769 6.211 -3.838 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.318 4.740 -2.420 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.456 6.057 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.540 4.601 -4.806 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.551 3.287 -4.412 1.00 0.00 H new ATOM 0 HE1 MET A 115 -2.901 4.864 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.927 5.757 -3.020 1.00 0.00 H new ATOM 0 HE3 MET A 115 -3.159 4.596 -3.568 1.00 0.00 H new ATOM 1888 N LEU A 116 3.989 4.033 -3.377 1.00 0.00 N ATOM 1889 CA LEU A 116 4.900 2.895 -3.326 1.00 0.00 C ATOM 1890 C LEU A 116 4.258 1.715 -2.603 1.00 0.00 C ATOM 1891 O LEU A 116 3.653 1.878 -1.544 1.00 0.00 O ATOM 1892 CB LEU A 116 6.202 3.288 -2.627 1.00 0.00 C ATOM 1893 CG LEU A 116 7.139 2.139 -2.256 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.569 1.378 -3.500 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.353 2.662 -1.502 1.00 0.00 C ATOM 0 H LEU A 116 4.116 4.708 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 116 5.122 2.594 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.744 3.978 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.952 3.834 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 116 6.600 1.452 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.236 0.564 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.690 0.970 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.090 2.054 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.009 1.830 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.894 3.370 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.027 3.161 -0.589 1.00 0.00 H new ATOM 1907 N MET A 117 4.395 0.527 -3.183 1.00 0.00 N ATOM 1908 CA MET A 117 3.830 -0.681 -2.591 1.00 0.00 C ATOM 1909 C MET A 117 4.928 -1.683 -2.249 1.00 0.00 C ATOM 1910 O MET A 117 5.541 -2.274 -3.138 1.00 0.00 O ATOM 1911 CB MET A 117 2.821 -1.319 -3.548 1.00 0.00 C ATOM 1912 CG MET A 117 1.997 -2.426 -2.911 1.00 0.00 C ATOM 1913 SD MET A 117 0.919 -3.258 -4.093 1.00 0.00 S ATOM 1914 CE MET A 117 2.121 -4.143 -5.083 1.00 0.00 C ATOM 0 H MET A 117 4.891 0.375 -4.061 1.00 0.00 H new ATOM 0 HA MET A 117 3.319 -0.400 -1.670 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.149 -0.547 -3.923 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.354 -1.723 -4.409 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.667 -3.157 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.393 -2.007 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.746 -5.142 -5.304 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.291 -3.605 -6.016 1.00 0.00 H new ATOM 0 HE3 MET A 117 3.059 -4.221 -4.533 1.00 0.00 H new ATOM 1924 N ASN A 118 5.172 -1.869 -0.956 1.00 0.00 N ATOM 1925 CA ASN A 118 6.197 -2.799 -0.497 1.00 0.00 C ATOM 1926 C ASN A 118 5.566 -4.053 0.099 1.00 0.00 C ATOM 1927 O ASN A 118 5.063 -4.034 1.222 1.00 0.00 O ATOM 1928 CB ASN A 118 7.099 -2.126 0.540 1.00 0.00 C ATOM 1929 CG ASN A 118 8.298 -1.445 -0.092 1.00 0.00 C ATOM 1930 OD1 ASN A 118 9.432 -1.621 0.354 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.052 -0.662 -1.136 1.00 0.00 N ATOM 0 H ASN A 118 4.674 -1.388 -0.207 1.00 0.00 H new ATOM 0 HA ASN A 118 6.799 -3.091 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.520 -1.391 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.444 -2.872 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.819 -0.177 -1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 118 7.096 -0.545 -1.472 1.00 0.00 H new ATOM 1938 N ALA A 119 5.598 -5.143 -0.661 1.00 0.00 N ATOM 1939 CA ALA A 119 5.032 -6.408 -0.207 1.00 0.00 C ATOM 1940 C ALA A 119 6.115 -7.325 0.351 1.00 0.00 C ATOM 1941 O ALA A 119 7.171 -7.496 -0.258 1.00 0.00 O ATOM 1942 CB ALA A 119 4.291 -7.093 -1.345 1.00 0.00 C ATOM 0 H ALA A 119 6.010 -5.176 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 119 4.325 -6.195 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.874 -8.036 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.485 -6.448 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.983 -7.287 -2.165 1.00 0.00 H new ATOM 1948 N ARG A 120 5.846 -7.913 1.512 1.00 0.00 N ATOM 1949 CA ARG A 120 6.798 -8.812 2.152 1.00 0.00 C ATOM 1950 C ARG A 120 6.203 -10.207 2.317 1.00 0.00 C ATOM 1951 O ARG A 120 4.984 -10.370 2.378 1.00 0.00 O ATOM 1952 CB ARG A 120 7.216 -8.260 3.516 1.00 0.00 C ATOM 1953 CG ARG A 120 8.319 -9.062 4.186 1.00 0.00 C ATOM 1954 CD ARG A 120 9.099 -8.215 5.180 1.00 0.00 C ATOM 1955 NE ARG A 120 10.254 -8.928 5.718 1.00 0.00 N ATOM 1956 CZ ARG A 120 11.178 -8.358 6.484 1.00 0.00 C ATOM 1957 NH1 ARG A 120 11.081 -7.074 6.800 1.00 0.00 N ATOM 1958 NH2 ARG A 120 12.200 -9.073 6.936 1.00 0.00 N ATOM 0 H ARG A 120 4.976 -7.783 2.029 1.00 0.00 H new ATOM 0 HA ARG A 120 7.677 -8.884 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.550 -7.230 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.345 -8.237 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.886 -9.920 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.998 -9.453 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.433 -7.299 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.442 -7.919 5.998 1.00 0.00 H new ATOM 0 HE ARG A 120 10.357 -9.918 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.296 -6.522 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.791 -6.638 7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.277 -10.061 6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.909 -8.634 7.524 1.00 0.00 H new ATOM 1972 N TYR A 121 7.071 -11.210 2.387 1.00 0.00 N ATOM 1973 CA TYR A 121 6.631 -12.592 2.541 1.00 0.00 C ATOM 1974 C TYR A 121 6.745 -13.041 3.995 1.00 0.00 C ATOM 1975 O TYR A 121 7.808 -12.939 4.607 1.00 0.00 O ATOM 1976 CB TYR A 121 7.458 -13.516 1.645 1.00 0.00 C ATOM 1977 CG TYR A 121 6.707 -14.744 1.185 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.923 -14.715 0.038 1.00 0.00 C ATOM 1979 CD2 TYR A 121 6.782 -15.935 1.897 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.234 -15.835 -0.385 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.097 -17.061 1.480 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.325 -17.006 0.339 1.00 0.00 C ATOM 1983 OH TYR A 121 4.642 -18.124 -0.081 1.00 0.00 O ATOM 0 H TYR A 121 8.083 -11.092 2.340 1.00 0.00 H new ATOM 0 HA TYR A 121 5.584 -12.648 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.793 -12.957 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.352 -13.828 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.851 -13.801 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 121 7.386 -15.982 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.627 -15.794 -1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.166 -17.979 2.045 1.00 0.00 H new ATOM 0 HH TYR A 121 4.813 -18.864 0.538 1.00 0.00 H new ATOM 1993 N PHE A 122 5.641 -13.538 4.542 1.00 0.00 N ATOM 1994 CA PHE A 122 5.615 -14.003 5.924 1.00 0.00 C ATOM 1995 C PHE A 122 4.785 -15.277 6.053 1.00 0.00 C ATOM 1996 O PHE A 122 4.168 -15.731 5.089 1.00 0.00 O ATOM 1997 CB PHE A 122 5.046 -12.916 6.839 1.00 0.00 C ATOM 1998 CG PHE A 122 6.036 -11.838 7.175 1.00 0.00 C ATOM 1999 CD1 PHE A 122 7.220 -12.144 7.827 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.784 -10.518 6.838 1.00 0.00 C ATOM 2001 CE1 PHE A 122 8.132 -11.154 8.138 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.693 -9.523 7.146 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.869 -9.842 7.796 1.00 0.00 C ATOM 0 H PHE A 122 4.752 -13.629 4.050 1.00 0.00 H new ATOM 0 HA PHE A 122 6.639 -14.224 6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.178 -12.465 6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.695 -13.377 7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.432 -13.168 8.095 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.866 -10.263 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 122 9.050 -11.406 8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.484 -8.498 6.879 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.582 -9.067 8.036 1.00 0.00 H new ATOM 2013 N LEU A 123 4.777 -15.851 7.251 1.00 0.00 N ATOM 2014 CA LEU A 123 4.024 -17.074 7.509 1.00 0.00 C ATOM 2015 C LEU A 123 3.061 -16.885 8.677 1.00 0.00 C ATOM 2016 O LEU A 123 3.397 -16.244 9.672 1.00 0.00 O ATOM 2017 CB LEU A 123 4.980 -18.232 7.803 1.00 0.00 C ATOM 2018 CG LEU A 123 5.440 -19.046 6.593 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.291 -19.872 6.037 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.010 -18.130 5.520 1.00 0.00 C ATOM 0 H LEU A 123 5.283 -15.489 8.059 1.00 0.00 H new ATOM 0 HA LEU A 123 3.442 -17.308 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.862 -17.831 8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.495 -18.908 8.507 1.00 0.00 H new ATOM 0 HG LEU A 123 6.227 -19.728 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.637 -20.444 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.929 -20.555 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.482 -19.209 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.332 -18.726 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.244 -17.423 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.862 -17.583 5.923 1.00 0.00 H new