USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 46 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.9!) USER MOD Set 1.2: A 51 SER OG : rot -87:sc=0.000131 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 167:sc= 0.808 (180deg=0) USER MOD Set 2.2: A 49 GLN : amide:sc= -2.85! K(o=-2!,f=-4.1) USER MOD Set 3.1: A 14 TYR OH : rot 130:sc= 0.969 USER MOD Set 3.2: A 16 LYS NZ :NH3+ -163:sc= 1.1 (180deg=-0.199) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 12 GLN : amide:sc= -0.996 K(o=-1,f=-0.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.811 K(o=0.81,f=-0.14) USER MOD Single : A 32 GLN : amide:sc= -3.74! C(o=-3.7!,f=-8.4!) USER MOD Single : A 39 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-0.59) USER MOD Single : A 57 GLN : amide:sc= -0.734 X(o=-0.73,f=-0.32) USER MOD Single : A 58 ASN : amide:sc= -3.6! C(o=-3.6!,f=-11!) USER MOD Single : A 60 SER OG : rot -50:sc= -0.23 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 1.01 K(o=1,f=-6.4!) USER MOD Single : A 68 GLN : amide:sc= -0.0516 K(o=-0.052,f=-1.6!) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= -1.03! (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 13.107 -0.525 3.725 1.00 0.00 N ATOM 125 CA CYS A 9 14.044 0.059 2.784 1.00 0.00 C ATOM 126 C CYS A 9 14.111 -0.825 1.555 1.00 0.00 C ATOM 127 O CYS A 9 14.962 -1.710 1.447 1.00 0.00 O ATOM 128 CB CYS A 9 15.432 0.240 3.402 1.00 0.00 C ATOM 129 SG CYS A 9 15.563 1.665 4.530 1.00 0.00 S ATOM 0 HA CYS A 9 13.694 1.053 2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.697 -0.666 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.162 0.356 2.601 1.00 0.00 H new ATOM 134 N CYS A 10 13.165 -0.616 0.657 1.00 0.00 N ATOM 135 CA CYS A 10 13.024 -1.463 -0.508 1.00 0.00 C ATOM 136 C CYS A 10 14.138 -1.207 -1.513 1.00 0.00 C ATOM 137 O CYS A 10 14.250 -0.120 -2.069 1.00 0.00 O ATOM 138 CB CYS A 10 11.662 -1.219 -1.158 1.00 0.00 C ATOM 139 SG CYS A 10 10.257 -1.447 -0.019 1.00 0.00 S ATOM 0 H CYS A 10 12.481 0.138 0.715 1.00 0.00 H new ATOM 0 HA CYS A 10 13.094 -2.503 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.635 -0.204 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.546 -1.896 -2.004 1.00 0.00 H new ATOM 144 N THR A 11 14.956 -2.227 -1.740 1.00 0.00 N ATOM 145 CA THR A 11 15.980 -2.170 -2.766 1.00 0.00 C ATOM 146 C THR A 11 15.448 -2.763 -4.064 1.00 0.00 C ATOM 147 O THR A 11 16.126 -2.780 -5.092 1.00 0.00 O ATOM 148 CB THR A 11 17.240 -2.930 -2.317 1.00 0.00 C ATOM 149 OG1 THR A 11 16.861 -4.147 -1.656 1.00 0.00 O ATOM 150 CG2 THR A 11 18.083 -2.075 -1.382 1.00 0.00 C ATOM 0 H THR A 11 14.927 -3.106 -1.223 1.00 0.00 H new ATOM 0 HA THR A 11 16.247 -1.126 -2.932 1.00 0.00 H new ATOM 0 HB THR A 11 17.836 -3.165 -3.199 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.666 -4.630 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.968 -2.633 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.388 -1.164 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.498 -1.814 -0.500 1.00 0.00 H new ATOM 158 N GLN A 12 14.217 -3.245 -3.995 1.00 0.00 N ATOM 159 CA GLN A 12 13.537 -3.804 -5.146 1.00 0.00 C ATOM 160 C GLN A 12 12.111 -3.274 -5.220 1.00 0.00 C ATOM 161 O GLN A 12 11.554 -2.826 -4.215 1.00 0.00 O ATOM 162 CB GLN A 12 13.562 -5.345 -5.128 1.00 0.00 C ATOM 163 CG GLN A 12 13.414 -6.006 -3.753 1.00 0.00 C ATOM 164 CD GLN A 12 12.110 -5.680 -3.046 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.086 -6.323 -3.276 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.159 -4.723 -2.129 1.00 0.00 N ATOM 0 H GLN A 12 13.664 -3.258 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 12 14.071 -3.489 -6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.761 -5.709 -5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.501 -5.678 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.491 -7.087 -3.871 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.245 -5.695 -3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.028 -4.214 -1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.328 -4.496 -1.583 1.00 0.00 H new ATOM 175 N LEU A 13 11.537 -3.306 -6.408 1.00 0.00 N ATOM 176 CA LEU A 13 10.194 -2.796 -6.629 1.00 0.00 C ATOM 177 C LEU A 13 9.402 -3.784 -7.469 1.00 0.00 C ATOM 178 O LEU A 13 9.855 -4.204 -8.535 1.00 0.00 O ATOM 179 CB LEU A 13 10.245 -1.430 -7.325 1.00 0.00 C ATOM 180 CG LEU A 13 10.893 -0.304 -6.516 1.00 0.00 C ATOM 181 CD1 LEU A 13 11.030 0.948 -7.368 1.00 0.00 C ATOM 182 CD2 LEU A 13 10.077 -0.009 -5.267 1.00 0.00 C ATOM 0 H LEU A 13 11.984 -3.684 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 13 9.702 -2.671 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.789 -1.540 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.228 -1.133 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 13 11.888 -0.626 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.492 1.740 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.652 0.731 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.044 1.272 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.552 0.794 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.070 0.295 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.023 -0.904 -4.648 1.00 0.00 H new ATOM 194 N TYR A 14 8.229 -4.162 -6.985 1.00 0.00 N ATOM 195 CA TYR A 14 7.400 -5.133 -7.684 1.00 0.00 C ATOM 196 C TYR A 14 6.856 -4.518 -8.969 1.00 0.00 C ATOM 197 O TYR A 14 6.949 -5.117 -10.041 1.00 0.00 O ATOM 198 CB TYR A 14 6.265 -5.612 -6.772 1.00 0.00 C ATOM 199 CG TYR A 14 5.592 -6.887 -7.237 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.339 -8.021 -7.534 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.213 -6.959 -7.363 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.727 -9.189 -7.947 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.594 -8.125 -7.774 1.00 0.00 C ATOM 204 CZ TYR A 14 4.355 -9.237 -8.067 1.00 0.00 C ATOM 205 OH TYR A 14 3.739 -10.400 -8.479 1.00 0.00 O ATOM 0 H TYR A 14 7.830 -3.813 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 14 8.004 -6.000 -7.950 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.661 -5.769 -5.769 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.515 -4.824 -6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.414 -7.989 -7.441 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.613 -6.090 -7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.322 -10.061 -8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.519 -8.165 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 14 3.013 -10.622 -7.860 1.00 0.00 H new ATOM 215 N ARG A 15 6.299 -3.309 -8.845 1.00 0.00 N ATOM 216 CA ARG A 15 5.822 -2.527 -9.996 1.00 0.00 C ATOM 217 C ARG A 15 4.737 -3.272 -10.770 1.00 0.00 C ATOM 218 O ARG A 15 4.426 -2.929 -11.909 1.00 0.00 O ATOM 219 CB ARG A 15 6.983 -2.189 -10.938 1.00 0.00 C ATOM 220 CG ARG A 15 8.109 -1.413 -10.273 1.00 0.00 C ATOM 221 CD ARG A 15 9.284 -1.216 -11.216 1.00 0.00 C ATOM 222 NE ARG A 15 9.779 -2.491 -11.738 1.00 0.00 N ATOM 223 CZ ARG A 15 10.948 -2.644 -12.356 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.771 -1.614 -12.505 1.00 0.00 N ATOM 225 NH2 ARG A 15 11.291 -3.837 -12.825 1.00 0.00 N ATOM 0 H ARG A 15 6.165 -2.844 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 15 5.394 -1.604 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.386 -3.115 -11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.600 -1.608 -11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.738 -0.442 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.442 -1.945 -9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.982 -0.576 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.089 -0.700 -10.692 1.00 0.00 H new ATOM 0 HE ARG A 15 9.190 -3.315 -11.621 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.510 -0.696 -12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.665 -1.740 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.660 -4.630 -12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.185 -3.961 -13.299 1.00 0.00 H new ATOM 239 N LYS A 16 4.152 -4.273 -10.133 1.00 0.00 N ATOM 240 CA LYS A 16 3.185 -5.141 -10.779 1.00 0.00 C ATOM 241 C LYS A 16 1.869 -5.116 -10.010 1.00 0.00 C ATOM 242 O LYS A 16 1.873 -5.132 -8.780 1.00 0.00 O ATOM 243 CB LYS A 16 3.764 -6.560 -10.850 1.00 0.00 C ATOM 244 CG LYS A 16 2.792 -7.633 -11.311 1.00 0.00 C ATOM 245 CD LYS A 16 3.523 -8.943 -11.552 1.00 0.00 C ATOM 246 CE LYS A 16 2.569 -10.102 -11.782 1.00 0.00 C ATOM 247 NZ LYS A 16 1.798 -10.433 -10.556 1.00 0.00 N ATOM 0 H LYS A 16 4.334 -4.505 -9.157 1.00 0.00 H new ATOM 0 HA LYS A 16 2.983 -4.793 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.619 -6.553 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.139 -6.832 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.015 -7.776 -10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.295 -7.313 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.178 -8.837 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.160 -9.164 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.880 -9.851 -12.588 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.132 -10.978 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.383 -11.382 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.432 -10.415 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.039 -9.735 -10.424 1.00 0.00 H new ATOM 261 N PRO A 17 0.735 -5.027 -10.725 1.00 0.00 N ATOM 262 CA PRO A 17 -0.595 -5.015 -10.110 1.00 0.00 C ATOM 263 C PRO A 17 -0.810 -6.198 -9.172 1.00 0.00 C ATOM 264 O PRO A 17 -0.594 -7.353 -9.546 1.00 0.00 O ATOM 265 CB PRO A 17 -1.558 -5.084 -11.303 1.00 0.00 C ATOM 266 CG PRO A 17 -0.715 -5.459 -12.477 1.00 0.00 C ATOM 267 CD PRO A 17 0.654 -4.923 -12.187 1.00 0.00 C ATOM 0 HA PRO A 17 -0.743 -4.131 -9.490 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.342 -5.821 -11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.051 -4.126 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.691 -6.540 -12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.115 -5.033 -13.397 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.431 -5.508 -12.679 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.767 -3.894 -12.527 1.00 0.00 H new ATOM 275 N LEU A 18 -1.222 -5.900 -7.951 1.00 0.00 N ATOM 276 CA LEU A 18 -1.428 -6.925 -6.942 1.00 0.00 C ATOM 277 C LEU A 18 -2.820 -7.530 -7.073 1.00 0.00 C ATOM 278 O LEU A 18 -3.789 -6.821 -7.343 1.00 0.00 O ATOM 279 CB LEU A 18 -1.229 -6.339 -5.540 1.00 0.00 C ATOM 280 CG LEU A 18 0.149 -5.721 -5.283 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.260 -5.222 -3.851 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.247 -6.727 -5.580 1.00 0.00 C ATOM 0 H LEU A 18 -1.421 -4.951 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.693 -7.715 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.989 -5.576 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.399 -7.127 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 18 0.269 -4.868 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.247 -4.788 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.503 -4.465 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.116 -6.055 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.219 -6.271 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.125 -7.599 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.186 -7.034 -6.624 1.00 0.00 H new ATOM 294 N SER A 19 -2.903 -8.843 -6.901 1.00 0.00 N ATOM 295 CA SER A 19 -4.169 -9.554 -7.000 1.00 0.00 C ATOM 296 C SER A 19 -5.136 -9.086 -5.915 1.00 0.00 C ATOM 297 O SER A 19 -4.739 -8.859 -4.774 1.00 0.00 O ATOM 298 CB SER A 19 -3.920 -11.056 -6.876 1.00 0.00 C ATOM 299 OG SER A 19 -2.909 -11.472 -7.781 1.00 0.00 O ATOM 0 H SER A 19 -2.103 -9.439 -6.691 1.00 0.00 H new ATOM 0 HA SER A 19 -4.620 -9.342 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.624 -11.298 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.842 -11.601 -7.078 1.00 0.00 H new ATOM 0 HG SER A 19 -2.762 -12.436 -7.686 1.00 0.00 H new ATOM 305 N ASP A 20 -6.406 -8.942 -6.269 1.00 0.00 N ATOM 306 CA ASP A 20 -7.385 -8.400 -5.337 1.00 0.00 C ATOM 307 C ASP A 20 -7.606 -9.337 -4.152 1.00 0.00 C ATOM 308 O ASP A 20 -7.999 -8.900 -3.064 1.00 0.00 O ATOM 309 CB ASP A 20 -8.715 -8.095 -6.014 1.00 0.00 C ATOM 310 CG ASP A 20 -9.569 -7.195 -5.147 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.339 -5.967 -5.142 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.451 -7.704 -4.431 1.00 0.00 O ATOM 0 H ASP A 20 -6.780 -9.190 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.972 -7.461 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.536 -7.616 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.247 -9.025 -6.215 1.00 0.00 H new ATOM 317 N LYS A 21 -7.375 -10.622 -4.375 1.00 0.00 N ATOM 318 CA LYS A 21 -7.466 -11.621 -3.314 1.00 0.00 C ATOM 319 C LYS A 21 -6.521 -11.284 -2.172 1.00 0.00 C ATOM 320 O LYS A 21 -6.906 -11.311 -1.009 1.00 0.00 O ATOM 321 CB LYS A 21 -7.108 -13.003 -3.836 1.00 0.00 C ATOM 322 CG LYS A 21 -8.121 -13.597 -4.791 1.00 0.00 C ATOM 323 CD LYS A 21 -7.610 -14.913 -5.335 1.00 0.00 C ATOM 324 CE LYS A 21 -8.642 -15.610 -6.203 1.00 0.00 C ATOM 325 NZ LYS A 21 -8.140 -16.916 -6.705 1.00 0.00 N ATOM 0 H LYS A 21 -7.121 -11.002 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.496 -11.617 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.142 -12.948 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.988 -13.678 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.070 -13.750 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.310 -12.904 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.706 -14.738 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.334 -15.565 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.555 -15.767 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.901 -14.970 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.870 -17.365 -7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.282 -16.763 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.916 -17.535 -5.900 1.00 0.00 H new ATOM 339 N LEU A 22 -5.278 -10.973 -2.505 1.00 0.00 N ATOM 340 CA LEU A 22 -4.321 -10.564 -1.490 1.00 0.00 C ATOM 341 C LEU A 22 -4.647 -9.153 -1.004 1.00 0.00 C ATOM 342 O LEU A 22 -4.374 -8.802 0.141 1.00 0.00 O ATOM 343 CB LEU A 22 -2.871 -10.679 -2.007 1.00 0.00 C ATOM 344 CG LEU A 22 -2.477 -9.778 -3.183 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.043 -8.399 -2.699 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.370 -10.425 -4.001 1.00 0.00 C ATOM 0 H LEU A 22 -4.912 -10.995 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.401 -11.240 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.198 -10.466 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.697 -11.714 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.354 -9.652 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.770 -7.782 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.865 -7.927 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.184 -8.500 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.102 -9.772 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.496 -10.585 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.717 -11.383 -4.389 1.00 0.00 H new ATOM 358 N LEU A 23 -5.268 -8.366 -1.880 1.00 0.00 N ATOM 359 CA LEU A 23 -5.658 -6.997 -1.559 1.00 0.00 C ATOM 360 C LEU A 23 -6.625 -6.943 -0.378 1.00 0.00 C ATOM 361 O LEU A 23 -6.502 -6.085 0.487 1.00 0.00 O ATOM 362 CB LEU A 23 -6.284 -6.324 -2.781 1.00 0.00 C ATOM 363 CG LEU A 23 -5.293 -5.856 -3.855 1.00 0.00 C ATOM 364 CD1 LEU A 23 -6.009 -5.101 -4.965 1.00 0.00 C ATOM 365 CD2 LEU A 23 -4.202 -4.985 -3.245 1.00 0.00 C ATOM 0 H LEU A 23 -5.513 -8.658 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.755 -6.458 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.987 -7.021 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.862 -5.463 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.828 -6.743 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.284 -4.780 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.747 -5.753 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.509 -4.228 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.512 -4.666 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.654 -4.109 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.659 -5.556 -2.492 1.00 0.00 H new ATOM 377 N ARG A 24 -7.576 -7.867 -0.324 1.00 0.00 N ATOM 378 CA ARG A 24 -8.557 -7.886 0.761 1.00 0.00 C ATOM 379 C ARG A 24 -7.919 -8.315 2.088 1.00 0.00 C ATOM 380 O ARG A 24 -8.603 -8.459 3.100 1.00 0.00 O ATOM 381 CB ARG A 24 -9.753 -8.780 0.399 1.00 0.00 C ATOM 382 CG ARG A 24 -9.392 -10.218 0.073 1.00 0.00 C ATOM 383 CD ARG A 24 -10.495 -10.899 -0.726 1.00 0.00 C ATOM 384 NE ARG A 24 -10.728 -10.229 -2.008 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.705 -10.549 -2.861 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.535 -11.551 -2.598 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.847 -9.859 -3.984 1.00 0.00 N ATOM 0 H ARG A 24 -7.691 -8.610 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.926 -6.869 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.458 -8.776 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.268 -8.346 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.462 -10.242 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.216 -10.769 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.226 -11.940 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.417 -10.902 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.102 -9.467 -2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.431 -12.087 -1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.277 -11.785 -3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.212 -9.088 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.591 -10.099 -4.639 1.00 0.00 H new ATOM 401 N LYS A 25 -6.603 -8.501 2.072 1.00 0.00 N ATOM 402 CA LYS A 25 -5.849 -8.820 3.276 1.00 0.00 C ATOM 403 C LYS A 25 -4.800 -7.747 3.564 1.00 0.00 C ATOM 404 O LYS A 25 -3.946 -7.921 4.441 1.00 0.00 O ATOM 405 CB LYS A 25 -5.164 -10.170 3.133 1.00 0.00 C ATOM 406 CG LYS A 25 -6.134 -11.321 2.918 1.00 0.00 C ATOM 407 CD LYS A 25 -5.407 -12.646 2.798 1.00 0.00 C ATOM 408 CE LYS A 25 -4.500 -12.666 1.584 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.698 -13.913 1.509 1.00 0.00 N ATOM 0 H LYS A 25 -6.033 -8.435 1.229 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.552 -8.858 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.469 -10.129 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.573 -10.365 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.838 -11.365 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.718 -11.142 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.818 -12.823 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.132 -13.457 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.102 -12.567 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.831 -11.806 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.262 -13.990 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.953 -13.891 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.316 -14.733 1.672 1.00 0.00 H new ATOM 423 N VAL A 26 -4.846 -6.652 2.810 1.00 0.00 N ATOM 424 CA VAL A 26 -3.938 -5.533 3.034 1.00 0.00 C ATOM 425 C VAL A 26 -4.519 -4.626 4.108 1.00 0.00 C ATOM 426 O VAL A 26 -5.426 -3.843 3.848 1.00 0.00 O ATOM 427 CB VAL A 26 -3.688 -4.711 1.751 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.614 -3.665 1.993 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.294 -5.615 0.595 1.00 0.00 C ATOM 0 H VAL A 26 -5.501 -6.517 2.040 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.979 -5.944 3.351 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.616 -4.205 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.450 -3.094 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.934 -2.992 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.686 -4.157 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.124 -5.012 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.381 -6.153 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.095 -6.329 0.402 1.00 0.00 H new ATOM 439 N ILE A 27 -3.998 -4.748 5.314 1.00 0.00 N ATOM 440 CA ILE A 27 -4.595 -4.092 6.466 1.00 0.00 C ATOM 441 C ILE A 27 -4.189 -2.624 6.580 1.00 0.00 C ATOM 442 O ILE A 27 -4.924 -1.818 7.151 1.00 0.00 O ATOM 443 CB ILE A 27 -4.240 -4.834 7.772 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.720 -4.889 7.969 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.829 -6.239 7.745 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.293 -5.516 9.282 1.00 0.00 C ATOM 0 H ILE A 27 -3.163 -5.295 5.523 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.674 -4.127 6.313 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.668 -4.288 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.277 -5.452 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.319 -3.877 7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.575 -6.758 8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.913 -6.177 7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.421 -6.788 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.205 -5.519 9.347 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.705 -4.940 10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.662 -6.540 9.333 1.00 0.00 H new ATOM 458 N GLN A 28 -3.028 -2.275 6.033 1.00 0.00 N ATOM 459 CA GLN A 28 -2.511 -0.912 6.128 1.00 0.00 C ATOM 460 C GLN A 28 -1.708 -0.542 4.888 1.00 0.00 C ATOM 461 O GLN A 28 -1.217 -1.411 4.168 1.00 0.00 O ATOM 462 CB GLN A 28 -1.630 -0.747 7.375 1.00 0.00 C ATOM 463 CG GLN A 28 -2.401 -0.641 8.683 1.00 0.00 C ATOM 464 CD GLN A 28 -3.217 0.637 8.781 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.726 1.663 9.252 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.467 0.584 8.343 1.00 0.00 N ATOM 0 H GLN A 28 -2.426 -2.918 5.518 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.368 -0.243 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.948 -1.595 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.017 0.146 7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.066 -1.500 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.701 -0.685 9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.837 -0.286 7.959 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.059 1.413 8.390 1.00 0.00 H new ATOM 475 N VAL A 29 -1.592 0.753 4.642 1.00 0.00 N ATOM 476 CA VAL A 29 -0.763 1.262 3.562 1.00 0.00 C ATOM 477 C VAL A 29 0.328 2.145 4.143 1.00 0.00 C ATOM 478 O VAL A 29 0.040 3.082 4.891 1.00 0.00 O ATOM 479 CB VAL A 29 -1.581 2.087 2.548 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.721 2.489 1.357 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.811 1.318 2.091 1.00 0.00 C ATOM 0 H VAL A 29 -2.067 1.477 5.182 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.336 0.406 3.039 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.916 2.997 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.320 3.070 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.120 3.091 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.347 1.594 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.372 1.920 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.502 0.386 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.442 1.096 2.952 1.00 0.00 H new ATOM 491 N GLU A 30 1.570 1.849 3.813 1.00 0.00 N ATOM 492 CA GLU A 30 2.689 2.598 4.351 1.00 0.00 C ATOM 493 C GLU A 30 3.491 3.241 3.227 1.00 0.00 C ATOM 494 O GLU A 30 3.567 2.715 2.116 1.00 0.00 O ATOM 495 CB GLU A 30 3.578 1.684 5.205 1.00 0.00 C ATOM 496 CG GLU A 30 4.160 0.508 4.441 1.00 0.00 C ATOM 497 CD GLU A 30 4.721 -0.558 5.368 1.00 0.00 C ATOM 498 OE1 GLU A 30 5.568 -0.228 6.229 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.296 -1.723 5.269 1.00 0.00 O ATOM 0 H GLU A 30 1.830 1.096 3.176 1.00 0.00 H new ATOM 0 HA GLU A 30 2.304 3.394 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.394 2.274 5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.995 1.307 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.387 0.068 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.949 0.862 3.778 1.00 0.00 H new ATOM 506 N LEU A 31 4.061 4.392 3.507 1.00 0.00 N ATOM 507 CA LEU A 31 4.861 5.097 2.527 1.00 0.00 C ATOM 508 C LEU A 31 6.308 5.169 2.977 1.00 0.00 C ATOM 509 O LEU A 31 6.594 5.547 4.111 1.00 0.00 O ATOM 510 CB LEU A 31 4.311 6.509 2.303 1.00 0.00 C ATOM 511 CG LEU A 31 5.187 7.424 1.440 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.328 6.874 0.031 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.616 8.831 1.406 1.00 0.00 C ATOM 0 H LEU A 31 3.986 4.862 4.409 1.00 0.00 H new ATOM 0 HA LEU A 31 4.813 4.548 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.329 6.429 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.166 6.983 3.274 1.00 0.00 H new ATOM 0 HG LEU A 31 6.179 7.462 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.954 7.543 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.788 5.886 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.343 6.798 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.251 9.467 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.610 8.806 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.576 9.232 2.419 1.00 0.00 H new ATOM 525 N GLN A 32 7.205 4.770 2.095 1.00 0.00 N ATOM 526 CA GLN A 32 8.619 4.976 2.311 1.00 0.00 C ATOM 527 C GLN A 32 8.967 6.355 1.780 1.00 0.00 C ATOM 528 O GLN A 32 9.016 6.555 0.564 1.00 0.00 O ATOM 529 CB GLN A 32 9.435 3.909 1.571 1.00 0.00 C ATOM 530 CG GLN A 32 10.891 3.816 2.011 1.00 0.00 C ATOM 531 CD GLN A 32 11.748 3.011 1.043 1.00 0.00 C ATOM 532 OE1 GLN A 32 12.956 3.223 0.932 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.132 2.084 0.325 1.00 0.00 N ATOM 0 H GLN A 32 6.975 4.300 1.220 1.00 0.00 H new ATOM 0 HA GLN A 32 8.854 4.900 3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.961 2.939 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.403 4.121 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.303 4.821 2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.939 3.358 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.130 1.932 0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.660 1.522 -0.343 1.00 0.00 H new ATOM 542 N GLU A 33 9.145 7.314 2.679 1.00 0.00 N ATOM 543 CA GLU A 33 9.486 8.670 2.275 1.00 0.00 C ATOM 544 C GLU A 33 10.815 8.681 1.533 1.00 0.00 C ATOM 545 O GLU A 33 11.678 7.837 1.781 1.00 0.00 O ATOM 546 CB GLU A 33 9.535 9.614 3.483 1.00 0.00 C ATOM 547 CG GLU A 33 8.181 9.844 4.136 1.00 0.00 C ATOM 548 CD GLU A 33 8.220 10.924 5.199 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.118 12.114 4.838 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.345 10.595 6.399 1.00 0.00 O ATOM 0 H GLU A 33 9.059 7.179 3.686 1.00 0.00 H new ATOM 0 HA GLU A 33 8.706 9.029 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.221 9.205 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.943 10.574 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.455 10.119 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.835 8.912 4.583 1.00 0.00 H new ATOM 557 N ALA A 34 10.977 9.657 0.648 1.00 0.00 N ATOM 558 CA ALA A 34 12.132 9.724 -0.245 1.00 0.00 C ATOM 559 C ALA A 34 13.425 10.038 0.505 1.00 0.00 C ATOM 560 O ALA A 34 14.492 10.161 -0.100 1.00 0.00 O ATOM 561 CB ALA A 34 11.887 10.768 -1.324 1.00 0.00 C ATOM 0 H ALA A 34 10.315 10.423 0.528 1.00 0.00 H new ATOM 0 HA ALA A 34 12.254 8.742 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.750 10.815 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.002 10.496 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.733 11.742 -0.860 1.00 0.00 H new ATOM 567 N ASP A 35 13.318 10.161 1.816 1.00 0.00 N ATOM 568 CA ASP A 35 14.460 10.460 2.665 1.00 0.00 C ATOM 569 C ASP A 35 14.082 10.254 4.123 1.00 0.00 C ATOM 570 O ASP A 35 14.892 9.794 4.930 1.00 0.00 O ATOM 571 CB ASP A 35 14.939 11.897 2.451 1.00 0.00 C ATOM 572 CG ASP A 35 16.265 12.159 3.129 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.313 11.920 2.498 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.272 12.597 4.295 1.00 0.00 O ATOM 0 H ASP A 35 12.439 10.057 2.323 1.00 0.00 H new ATOM 0 HA ASP A 35 15.274 9.785 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.033 12.092 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.191 12.590 2.837 1.00 0.00 H new ATOM 579 N GLY A 36 12.836 10.591 4.442 1.00 0.00 N ATOM 580 CA GLY A 36 12.331 10.450 5.794 1.00 0.00 C ATOM 581 C GLY A 36 12.455 9.039 6.336 1.00 0.00 C ATOM 582 O GLY A 36 13.037 8.831 7.403 1.00 0.00 O ATOM 0 H GLY A 36 12.159 10.964 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.872 11.133 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.283 10.750 5.816 1.00 0.00 H new ATOM 586 N ASP A 37 11.912 8.066 5.613 1.00 0.00 N ATOM 587 CA ASP A 37 11.987 6.671 6.039 1.00 0.00 C ATOM 588 C ASP A 37 13.280 6.036 5.562 1.00 0.00 C ATOM 589 O ASP A 37 13.967 5.350 6.320 1.00 0.00 O ATOM 590 CB ASP A 37 10.801 5.862 5.511 1.00 0.00 C ATOM 591 CG ASP A 37 9.481 6.301 6.103 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.170 5.898 7.245 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.748 7.043 5.427 1.00 0.00 O ATOM 0 H ASP A 37 11.417 8.215 4.734 1.00 0.00 H new ATOM 0 HA ASP A 37 11.958 6.662 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.757 5.957 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.960 4.807 5.732 1.00 0.00 H new ATOM 598 N CYS A 38 13.608 6.265 4.303 1.00 0.00 N ATOM 599 CA CYS A 38 14.812 5.707 3.717 1.00 0.00 C ATOM 600 C CYS A 38 15.219 6.558 2.522 1.00 0.00 C ATOM 601 O CYS A 38 14.586 7.568 2.245 1.00 0.00 O ATOM 602 CB CYS A 38 14.563 4.258 3.297 1.00 0.00 C ATOM 603 SG CYS A 38 16.054 3.207 3.297 1.00 0.00 S ATOM 0 H CYS A 38 13.054 6.836 3.665 1.00 0.00 H new ATOM 0 HA CYS A 38 15.621 5.711 4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.824 3.820 3.968 1.00 0.00 H new ATOM 0 HB3 CYS A 38 14.129 4.252 2.297 1.00 0.00 H new ATOM 608 N HIS A 39 16.256 6.152 1.810 1.00 0.00 N ATOM 609 CA HIS A 39 16.782 6.948 0.702 1.00 0.00 C ATOM 610 C HIS A 39 15.969 6.727 -0.579 1.00 0.00 C ATOM 611 O HIS A 39 16.347 7.181 -1.654 1.00 0.00 O ATOM 612 CB HIS A 39 18.257 6.585 0.480 1.00 0.00 C ATOM 613 CG HIS A 39 18.989 7.483 -0.476 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.483 8.718 -0.118 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.322 7.310 -1.777 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.088 9.265 -1.156 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.006 8.431 -2.175 1.00 0.00 N ATOM 0 H HIS A 39 16.754 5.277 1.975 1.00 0.00 H new ATOM 0 HA HIS A 39 16.701 8.005 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.770 6.605 1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.313 5.561 0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.092 6.450 -2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.569 10.232 -1.169 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.389 8.593 -3.107 1.00 0.00 H new ATOM 626 N LEU A 40 14.839 6.053 -0.460 1.00 0.00 N ATOM 627 CA LEU A 40 14.041 5.716 -1.627 1.00 0.00 C ATOM 628 C LEU A 40 12.566 5.972 -1.339 1.00 0.00 C ATOM 629 O LEU A 40 12.081 5.658 -0.258 1.00 0.00 O ATOM 630 CB LEU A 40 14.287 4.244 -1.992 1.00 0.00 C ATOM 631 CG LEU A 40 13.884 3.822 -3.408 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.797 2.710 -3.897 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.436 3.361 -3.451 1.00 0.00 C ATOM 0 H LEU A 40 14.454 5.729 0.427 1.00 0.00 H new ATOM 0 HA LEU A 40 14.330 6.341 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.348 4.031 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.746 3.620 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 40 13.985 4.688 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.504 2.415 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.828 3.064 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.715 1.852 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.178 3.068 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.305 2.509 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.785 4.175 -3.132 1.00 0.00 H new ATOM 645 N GLN A 41 11.860 6.569 -2.289 1.00 0.00 N ATOM 646 CA GLN A 41 10.428 6.782 -2.132 1.00 0.00 C ATOM 647 C GLN A 41 9.649 5.629 -2.755 1.00 0.00 C ATOM 648 O GLN A 41 9.767 5.363 -3.954 1.00 0.00 O ATOM 649 CB GLN A 41 9.992 8.107 -2.760 1.00 0.00 C ATOM 650 CG GLN A 41 8.505 8.377 -2.602 1.00 0.00 C ATOM 651 CD GLN A 41 8.094 9.747 -3.098 1.00 0.00 C ATOM 652 OE1 GLN A 41 8.082 10.719 -2.340 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.751 9.837 -4.373 1.00 0.00 N ATOM 0 H GLN A 41 12.250 6.911 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 41 10.212 6.824 -1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.554 8.922 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.244 8.101 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.944 7.617 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.234 8.282 -1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.774 9.008 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.463 10.735 -4.762 1.00 0.00 H new ATOM 662 N ALA A 42 8.856 4.950 -1.938 1.00 0.00 N ATOM 663 CA ALA A 42 8.065 3.818 -2.396 1.00 0.00 C ATOM 664 C ALA A 42 6.762 3.713 -1.622 1.00 0.00 C ATOM 665 O ALA A 42 6.729 3.931 -0.413 1.00 0.00 O ATOM 666 CB ALA A 42 8.848 2.522 -2.246 1.00 0.00 C ATOM 0 H ALA A 42 8.744 5.166 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 42 7.836 3.981 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.240 1.687 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.761 2.578 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.105 2.372 -1.198 1.00 0.00 H new ATOM 672 N PHE A 43 5.693 3.379 -2.321 1.00 0.00 N ATOM 673 CA PHE A 43 4.424 3.095 -1.677 1.00 0.00 C ATOM 674 C PHE A 43 4.335 1.609 -1.376 1.00 0.00 C ATOM 675 O PHE A 43 4.296 0.781 -2.283 1.00 0.00 O ATOM 676 CB PHE A 43 3.252 3.537 -2.554 1.00 0.00 C ATOM 677 CG PHE A 43 2.856 4.970 -2.347 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.911 5.301 -1.389 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.424 5.983 -3.102 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.537 6.616 -1.189 1.00 0.00 C ATOM 681 CE2 PHE A 43 3.053 7.301 -2.908 1.00 0.00 C ATOM 682 CZ PHE A 43 2.110 7.617 -1.949 1.00 0.00 C ATOM 0 H PHE A 43 5.678 3.298 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 43 4.368 3.657 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.516 3.389 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.393 2.898 -2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.461 4.522 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.164 5.741 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.798 6.861 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.500 8.082 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.821 8.646 -1.794 1.00 0.00 H new ATOM 692 N VAL A 44 4.325 1.271 -0.104 1.00 0.00 N ATOM 693 CA VAL A 44 4.374 -0.116 0.304 1.00 0.00 C ATOM 694 C VAL A 44 3.027 -0.559 0.861 1.00 0.00 C ATOM 695 O VAL A 44 2.477 0.065 1.770 1.00 0.00 O ATOM 696 CB VAL A 44 5.492 -0.335 1.345 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.558 -1.788 1.796 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.828 0.106 0.768 1.00 0.00 C ATOM 0 H VAL A 44 4.283 1.939 0.666 1.00 0.00 H new ATOM 0 HA VAL A 44 4.598 -0.724 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 44 5.263 0.270 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.356 -1.906 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.607 -2.073 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.758 -2.427 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.613 -0.051 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.049 -0.478 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.781 1.163 0.508 1.00 0.00 H new ATOM 708 N LEU A 45 2.487 -1.624 0.297 1.00 0.00 N ATOM 709 CA LEU A 45 1.208 -2.145 0.741 1.00 0.00 C ATOM 710 C LEU A 45 1.424 -3.210 1.793 1.00 0.00 C ATOM 711 O LEU A 45 2.110 -4.210 1.556 1.00 0.00 O ATOM 712 CB LEU A 45 0.409 -2.687 -0.443 1.00 0.00 C ATOM 713 CG LEU A 45 0.011 -1.622 -1.463 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.872 -2.212 -2.548 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.696 -0.469 -0.766 1.00 0.00 C ATOM 0 H LEU A 45 2.914 -2.145 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 45 0.629 -1.336 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.998 -3.454 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.493 -3.172 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 45 0.917 -1.244 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.141 -1.433 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.333 -3.006 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.777 -2.621 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.975 0.285 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.592 -0.839 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.028 -0.025 -0.028 1.00 0.00 H new ATOM 727 N HIS A 46 0.846 -2.988 2.959 1.00 0.00 N ATOM 728 CA HIS A 46 1.114 -3.834 4.102 1.00 0.00 C ATOM 729 C HIS A 46 -0.027 -4.800 4.353 1.00 0.00 C ATOM 730 O HIS A 46 -1.066 -4.433 4.911 1.00 0.00 O ATOM 731 CB HIS A 46 1.359 -2.986 5.348 1.00 0.00 C ATOM 732 CG HIS A 46 2.017 -3.747 6.452 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.365 -3.680 6.698 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.510 -4.608 7.363 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.667 -4.473 7.706 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.557 -5.046 8.129 1.00 0.00 N ATOM 0 H HIS A 46 0.189 -2.229 3.137 1.00 0.00 H new ATOM 0 HA HIS A 46 2.010 -4.414 3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.981 -2.131 5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.408 -2.590 5.704 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.030 -3.105 6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.474 -4.896 7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.654 -4.627 8.116 1.00 0.00 H new ATOM 745 N LEU A 47 0.175 -6.035 3.941 1.00 0.00 N ATOM 746 CA LEU A 47 -0.775 -7.091 4.210 1.00 0.00 C ATOM 747 C LEU A 47 -0.524 -7.634 5.605 1.00 0.00 C ATOM 748 O LEU A 47 0.530 -7.391 6.188 1.00 0.00 O ATOM 749 CB LEU A 47 -0.652 -8.230 3.192 1.00 0.00 C ATOM 750 CG LEU A 47 -0.978 -7.877 1.738 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.166 -7.115 1.081 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.299 -9.141 0.956 1.00 0.00 C ATOM 0 H LEU A 47 0.996 -6.332 3.414 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.781 -6.678 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.367 -8.615 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.311 -9.040 3.504 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.852 -7.225 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.098 -6.880 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.349 -6.190 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.067 -7.729 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.530 -8.881 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.439 -9.811 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.158 -9.639 1.405 1.00 0.00 H new ATOM 764 N ALA A 48 -1.473 -8.384 6.129 1.00 0.00 N ATOM 765 CA ALA A 48 -1.333 -8.940 7.469 1.00 0.00 C ATOM 766 C ALA A 48 -0.294 -10.060 7.490 1.00 0.00 C ATOM 767 O ALA A 48 0.104 -10.529 8.556 1.00 0.00 O ATOM 768 CB ALA A 48 -2.677 -9.437 7.979 1.00 0.00 C ATOM 0 H ALA A 48 -2.344 -8.624 5.656 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.984 -8.150 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.556 -9.849 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.383 -8.608 8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.056 -10.211 7.311 1.00 0.00 H new ATOM 774 N GLN A 49 0.143 -10.486 6.306 1.00 0.00 N ATOM 775 CA GLN A 49 1.148 -11.537 6.198 1.00 0.00 C ATOM 776 C GLN A 49 2.318 -11.076 5.333 1.00 0.00 C ATOM 777 O GLN A 49 3.316 -11.779 5.210 1.00 0.00 O ATOM 778 CB GLN A 49 0.573 -12.819 5.568 1.00 0.00 C ATOM 779 CG GLN A 49 -0.910 -13.070 5.809 1.00 0.00 C ATOM 780 CD GLN A 49 -1.789 -12.458 4.729 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.046 -13.075 3.694 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.281 -11.257 4.974 1.00 0.00 N ATOM 0 H GLN A 49 -0.183 -10.120 5.412 1.00 0.00 H new ATOM 0 HA GLN A 49 1.481 -11.751 7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.745 -12.781 4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.133 -13.672 5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.090 -14.144 5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.192 -12.659 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.046 -10.777 5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.896 -10.810 4.295 1.00 0.00 H new ATOM 791 N ARG A 50 2.197 -9.897 4.727 1.00 0.00 N ATOM 792 CA ARG A 50 3.141 -9.494 3.687 1.00 0.00 C ATOM 793 C ARG A 50 3.422 -7.999 3.700 1.00 0.00 C ATOM 794 O ARG A 50 2.657 -7.211 4.247 1.00 0.00 O ATOM 795 CB ARG A 50 2.587 -9.845 2.305 1.00 0.00 C ATOM 796 CG ARG A 50 2.356 -11.322 2.061 1.00 0.00 C ATOM 797 CD ARG A 50 1.765 -11.544 0.682 1.00 0.00 C ATOM 798 NE ARG A 50 1.648 -12.957 0.346 1.00 0.00 N ATOM 799 CZ ARG A 50 2.095 -13.489 -0.791 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.714 -12.725 -1.684 1.00 0.00 N ATOM 801 NH2 ARG A 50 1.924 -14.778 -1.030 1.00 0.00 N ATOM 0 H ARG A 50 1.468 -9.214 4.933 1.00 0.00 H new ATOM 0 HA ARG A 50 4.067 -10.031 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.644 -9.318 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.277 -9.471 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.298 -11.864 2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.684 -11.722 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.780 -11.080 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.389 -11.048 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 50 1.197 -13.575 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.847 -11.731 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.056 -13.133 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.450 -15.365 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.266 -15.185 -1.900 1.00 0.00 H new ATOM 815 N SER A 51 4.524 -7.631 3.066 1.00 0.00 N ATOM 816 CA SER A 51 4.828 -6.247 2.756 1.00 0.00 C ATOM 817 C SER A 51 5.370 -6.190 1.333 1.00 0.00 C ATOM 818 O SER A 51 6.344 -6.871 1.008 1.00 0.00 O ATOM 819 CB SER A 51 5.865 -5.679 3.732 1.00 0.00 C ATOM 820 OG SER A 51 5.513 -5.939 5.083 1.00 0.00 O ATOM 0 H SER A 51 5.236 -8.290 2.751 1.00 0.00 H new ATOM 0 HA SER A 51 3.923 -5.646 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.841 -6.115 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.957 -4.603 3.580 1.00 0.00 H new ATOM 0 HG SER A 51 4.927 -5.225 5.412 1.00 0.00 H new ATOM 826 N ILE A 52 4.735 -5.403 0.481 1.00 0.00 N ATOM 827 CA ILE A 52 5.106 -5.359 -0.926 1.00 0.00 C ATOM 828 C ILE A 52 5.527 -3.951 -1.321 1.00 0.00 C ATOM 829 O ILE A 52 4.862 -2.977 -0.969 1.00 0.00 O ATOM 830 CB ILE A 52 3.938 -5.836 -1.822 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.515 -7.254 -1.419 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.329 -5.794 -3.295 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.320 -7.786 -2.183 1.00 0.00 C ATOM 0 H ILE A 52 3.963 -4.787 0.736 1.00 0.00 H new ATOM 0 HA ILE A 52 5.949 -6.034 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 52 3.094 -5.161 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.358 -7.929 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.285 -7.263 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.491 -6.134 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.589 -4.773 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.187 -6.445 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.086 -8.793 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.461 -7.136 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.551 -7.812 -3.248 1.00 0.00 H new ATOM 845 N CYS A 53 6.607 -3.847 -2.085 1.00 0.00 N ATOM 846 CA CYS A 53 7.172 -2.553 -2.421 1.00 0.00 C ATOM 847 C CYS A 53 6.749 -2.137 -3.817 1.00 0.00 C ATOM 848 O CYS A 53 7.030 -2.818 -4.808 1.00 0.00 O ATOM 849 CB CYS A 53 8.698 -2.606 -2.341 1.00 0.00 C ATOM 850 SG CYS A 53 9.342 -3.117 -0.716 1.00 0.00 S ATOM 0 H CYS A 53 7.106 -4.643 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 53 6.801 -1.820 -1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.067 -3.297 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.098 -1.622 -2.585 1.00 0.00 H new ATOM 855 N ILE A 54 6.075 -1.006 -3.881 1.00 0.00 N ATOM 856 CA ILE A 54 5.538 -0.496 -5.121 1.00 0.00 C ATOM 857 C ILE A 54 6.120 0.881 -5.437 1.00 0.00 C ATOM 858 O ILE A 54 6.353 1.696 -4.541 1.00 0.00 O ATOM 859 CB ILE A 54 3.989 -0.452 -5.040 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.394 -1.692 -5.716 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.423 0.825 -5.637 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.888 -1.788 -5.601 1.00 0.00 C ATOM 0 H ILE A 54 5.885 -0.415 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 54 5.822 -1.163 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 54 3.707 -0.456 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.669 -1.686 -6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.840 -2.584 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.336 0.813 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.816 1.685 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.710 0.895 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.542 -2.691 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.605 -1.827 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.431 -0.915 -6.068 1.00 0.00 H new ATOM 874 N HIS A 55 6.384 1.122 -6.713 1.00 0.00 N ATOM 875 CA HIS A 55 6.870 2.418 -7.161 1.00 0.00 C ATOM 876 C HIS A 55 5.700 3.398 -7.199 1.00 0.00 C ATOM 877 O HIS A 55 4.660 3.073 -7.753 1.00 0.00 O ATOM 878 CB HIS A 55 7.525 2.284 -8.545 1.00 0.00 C ATOM 879 CG HIS A 55 8.001 3.579 -9.131 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.410 4.164 -10.226 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.009 4.407 -8.763 1.00 0.00 C ATOM 882 CE1 HIS A 55 8.025 5.296 -10.506 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.999 5.469 -9.634 1.00 0.00 N ATOM 0 H HIS A 55 6.269 0.435 -7.458 1.00 0.00 H new ATOM 0 HA HIS A 55 7.625 2.794 -6.470 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.371 1.601 -8.469 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.809 1.830 -9.230 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.692 4.259 -7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.774 5.968 -11.313 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.640 6.262 -9.610 1.00 0.00 H new ATOM 892 N PRO A 56 5.859 4.595 -6.592 1.00 0.00 N ATOM 893 CA PRO A 56 4.792 5.604 -6.479 1.00 0.00 C ATOM 894 C PRO A 56 3.878 5.696 -7.705 1.00 0.00 C ATOM 895 O PRO A 56 2.656 5.681 -7.571 1.00 0.00 O ATOM 896 CB PRO A 56 5.582 6.892 -6.296 1.00 0.00 C ATOM 897 CG PRO A 56 6.785 6.478 -5.521 1.00 0.00 C ATOM 898 CD PRO A 56 7.099 5.061 -5.939 1.00 0.00 C ATOM 0 HA PRO A 56 4.101 5.368 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.858 7.329 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.001 7.642 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.626 7.139 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.594 6.533 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.947 5.026 -6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.355 4.440 -5.081 1.00 0.00 H new ATOM 906 N GLN A 57 4.467 5.765 -8.896 1.00 0.00 N ATOM 907 CA GLN A 57 3.683 5.818 -10.129 1.00 0.00 C ATOM 908 C GLN A 57 3.210 4.426 -10.542 1.00 0.00 C ATOM 909 O GLN A 57 3.442 3.975 -11.663 1.00 0.00 O ATOM 910 CB GLN A 57 4.482 6.476 -11.254 1.00 0.00 C ATOM 911 CG GLN A 57 4.697 7.962 -11.036 1.00 0.00 C ATOM 912 CD GLN A 57 3.389 8.718 -10.876 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.807 9.196 -11.846 1.00 0.00 O ATOM 914 NE2 GLN A 57 2.918 8.836 -9.645 1.00 0.00 N ATOM 0 H GLN A 57 5.477 5.785 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 57 2.800 6.428 -9.937 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.450 5.983 -11.341 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.961 6.324 -12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.311 8.111 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.251 8.374 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.428 8.426 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.045 9.337 -9.479 1.00 0.00 H new ATOM 923 N ASN A 58 2.560 3.753 -9.613 1.00 0.00 N ATOM 924 CA ASN A 58 1.943 2.462 -9.866 1.00 0.00 C ATOM 925 C ASN A 58 0.441 2.611 -9.783 1.00 0.00 C ATOM 926 O ASN A 58 -0.099 2.874 -8.708 1.00 0.00 O ATOM 927 CB ASN A 58 2.415 1.420 -8.847 1.00 0.00 C ATOM 928 CG ASN A 58 3.272 0.320 -9.458 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.219 -0.163 -8.834 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.929 -0.109 -10.664 1.00 0.00 N ATOM 0 H ASN A 58 2.443 4.086 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 58 2.233 2.121 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.984 1.921 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.545 0.969 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.455 -0.863 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.139 0.315 -11.150 1.00 0.00 H new ATOM 937 N PRO A 59 -0.264 2.462 -10.917 1.00 0.00 N ATOM 938 CA PRO A 59 -1.727 2.490 -10.941 1.00 0.00 C ATOM 939 C PRO A 59 -2.303 1.477 -9.963 1.00 0.00 C ATOM 940 O PRO A 59 -3.414 1.633 -9.469 1.00 0.00 O ATOM 941 CB PRO A 59 -2.073 2.121 -12.386 1.00 0.00 C ATOM 942 CG PRO A 59 -0.866 2.502 -13.169 1.00 0.00 C ATOM 943 CD PRO A 59 0.308 2.267 -12.261 1.00 0.00 C ATOM 0 HA PRO A 59 -2.139 3.455 -10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.289 1.057 -12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.956 2.658 -12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.784 1.903 -14.076 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.916 3.546 -13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.718 1.264 -12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.118 2.969 -12.460 1.00 0.00 H new ATOM 951 N SER A 60 -1.507 0.456 -9.679 1.00 0.00 N ATOM 952 CA SER A 60 -1.819 -0.546 -8.675 1.00 0.00 C ATOM 953 C SER A 60 -2.144 0.097 -7.321 1.00 0.00 C ATOM 954 O SER A 60 -3.081 -0.315 -6.640 1.00 0.00 O ATOM 955 CB SER A 60 -0.614 -1.471 -8.532 1.00 0.00 C ATOM 956 OG SER A 60 -0.114 -1.844 -9.805 1.00 0.00 O ATOM 0 H SER A 60 -0.614 0.300 -10.147 1.00 0.00 H new ATOM 0 HA SER A 60 -2.700 -1.105 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.168 -0.971 -7.961 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.898 -2.362 -7.972 1.00 0.00 H new ATOM 0 HG SER A 60 -0.851 -2.168 -10.364 1.00 0.00 H new ATOM 962 N LEU A 61 -1.373 1.117 -6.949 1.00 0.00 N ATOM 963 CA LEU A 61 -1.537 1.779 -5.659 1.00 0.00 C ATOM 964 C LEU A 61 -2.802 2.645 -5.673 1.00 0.00 C ATOM 965 O LEU A 61 -3.566 2.667 -4.710 1.00 0.00 O ATOM 966 CB LEU A 61 -0.294 2.636 -5.354 1.00 0.00 C ATOM 967 CG LEU A 61 0.125 2.748 -3.874 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.003 3.283 -3.013 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.605 1.407 -3.341 1.00 0.00 C ATOM 0 H LEU A 61 -0.626 1.503 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.643 1.028 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.546 2.228 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.473 3.642 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 61 0.951 3.458 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.671 3.348 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.291 4.274 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.860 2.612 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.894 1.514 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.198 0.675 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.463 1.070 -3.923 1.00 0.00 H new ATOM 981 N SER A 62 -3.032 3.331 -6.789 1.00 0.00 N ATOM 982 CA SER A 62 -4.194 4.205 -6.928 1.00 0.00 C ATOM 983 C SER A 62 -5.463 3.365 -6.987 1.00 0.00 C ATOM 984 O SER A 62 -6.479 3.678 -6.359 1.00 0.00 O ATOM 985 CB SER A 62 -4.068 5.046 -8.200 1.00 0.00 C ATOM 986 OG SER A 62 -5.004 6.107 -8.217 1.00 0.00 O ATOM 0 H SER A 62 -2.429 3.299 -7.611 1.00 0.00 H new ATOM 0 HA SER A 62 -4.244 4.872 -6.067 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.058 5.450 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.220 4.412 -9.073 1.00 0.00 H new ATOM 0 HG SER A 62 -4.896 6.625 -9.042 1.00 0.00 H new ATOM 992 N GLN A 63 -5.373 2.278 -7.736 1.00 0.00 N ATOM 993 CA GLN A 63 -6.461 1.331 -7.873 1.00 0.00 C ATOM 994 C GLN A 63 -6.776 0.696 -6.524 1.00 0.00 C ATOM 995 O GLN A 63 -7.913 0.302 -6.254 1.00 0.00 O ATOM 996 CB GLN A 63 -6.075 0.257 -8.888 1.00 0.00 C ATOM 997 CG GLN A 63 -7.201 -0.691 -9.234 1.00 0.00 C ATOM 998 CD GLN A 63 -6.773 -1.760 -10.217 1.00 0.00 C ATOM 999 OE1 GLN A 63 -6.876 -1.583 -11.431 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.284 -2.878 -9.707 1.00 0.00 N ATOM 0 H GLN A 63 -4.539 2.029 -8.267 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.351 1.852 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.727 0.741 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.237 -0.318 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.567 -1.164 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.032 -0.125 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.214 -2.989 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.977 -3.629 -10.325 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.760 0.599 -5.677 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.944 0.081 -4.337 1.00 0.00 C ATOM 1011 C TRP A 64 -6.741 1.065 -3.494 1.00 0.00 C ATOM 1012 O TRP A 64 -7.592 0.650 -2.725 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.599 -0.255 -3.677 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.731 -0.711 -2.255 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.003 -0.276 -1.189 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.664 -1.672 -1.736 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.413 -0.912 -0.045 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.431 -1.768 -0.352 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.670 -2.460 -2.303 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.169 -2.616 0.469 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.400 -3.298 -1.487 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.146 -3.369 -0.114 1.00 0.00 C ATOM 0 H TRP A 64 -4.803 0.873 -5.898 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.510 -0.848 -4.407 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.103 -1.034 -4.256 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.956 0.625 -3.710 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.217 0.463 -1.238 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.020 -0.768 0.885 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.872 -2.413 -3.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.975 -2.676 1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.181 -3.909 -1.915 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.736 -4.035 0.499 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.504 2.365 -3.667 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.298 3.373 -2.960 1.00 0.00 C ATOM 1035 C PHE A 65 -8.789 3.162 -3.227 1.00 0.00 C ATOM 1036 O PHE A 65 -9.623 3.305 -2.326 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.880 4.794 -3.354 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.710 5.314 -2.571 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -5.897 5.859 -1.312 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.428 5.271 -3.093 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -4.829 6.347 -0.587 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.356 5.756 -2.370 1.00 0.00 C ATOM 1043 CZ PHE A 65 -3.558 6.297 -1.115 1.00 0.00 C ATOM 0 H PHE A 65 -5.781 2.742 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.111 3.255 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.632 4.810 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.727 5.465 -3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.891 5.903 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.265 4.854 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.990 6.768 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.360 5.712 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.721 6.680 -0.549 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.118 2.793 -4.460 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.495 2.459 -4.807 1.00 0.00 C ATOM 1055 C GLU A 66 -10.912 1.153 -4.141 1.00 0.00 C ATOM 1056 O GLU A 66 -11.937 1.074 -3.461 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.655 2.310 -6.319 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.295 3.553 -7.106 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.560 3.387 -8.588 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.703 2.820 -9.295 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.634 3.818 -9.052 1.00 0.00 O ATOM 0 H GLU A 66 -8.455 2.718 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.129 3.272 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.031 1.484 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.688 2.040 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.869 4.399 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.242 3.787 -6.951 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.094 0.128 -4.329 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.439 -1.213 -3.887 1.00 0.00 C ATOM 1070 C HIS A 67 -10.439 -1.340 -2.364 1.00 0.00 C ATOM 1071 O HIS A 67 -11.204 -2.128 -1.825 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.508 -2.252 -4.522 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.840 -2.553 -5.956 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.863 -3.831 -6.472 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.166 -1.734 -6.987 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.189 -3.785 -7.750 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.378 -2.525 -8.087 1.00 0.00 N ATOM 0 H HIS A 67 -9.185 0.201 -4.786 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.458 -1.408 -4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.481 -1.893 -4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.557 -3.175 -3.944 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.659 -4.681 -5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.244 -0.658 -6.949 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.285 -4.636 -8.408 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.603 -0.569 -1.673 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.579 -0.594 -0.208 1.00 0.00 C ATOM 1088 C GLN A 68 -10.801 0.117 0.347 1.00 0.00 C ATOM 1089 O GLN A 68 -11.303 -0.232 1.413 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.303 0.045 0.353 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.183 1.540 0.088 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.924 2.151 0.676 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.907 1.485 0.837 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.983 3.434 0.989 1.00 0.00 N ATOM 0 H GLN A 68 -8.937 0.077 -2.097 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.592 -1.639 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.268 -0.126 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.438 -0.459 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.196 1.714 -0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.054 2.047 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.847 3.956 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.165 3.902 1.379 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.284 1.104 -0.401 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.493 1.821 -0.028 1.00 0.00 C ATOM 1105 C GLU A 69 -13.662 0.846 0.049 1.00 0.00 C ATOM 1106 O GLU A 69 -14.579 1.009 0.852 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.789 2.919 -1.049 1.00 0.00 C ATOM 1108 CG GLU A 69 -14.030 3.730 -0.732 1.00 0.00 C ATOM 1109 CD GLU A 69 -14.474 4.580 -1.900 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -15.157 4.043 -2.797 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.147 5.784 -1.927 1.00 0.00 O ATOM 0 H GLU A 69 -10.855 1.424 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.349 2.284 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.932 3.590 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.904 2.465 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.839 3.057 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.832 4.371 0.127 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.599 -0.182 -0.785 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.615 -1.220 -0.808 1.00 0.00 C ATOM 1120 C ARG A 70 -14.040 -2.550 -0.311 1.00 0.00 C ATOM 1121 O ARG A 70 -14.452 -3.625 -0.755 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.165 -1.375 -2.230 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.096 -1.696 -3.264 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.694 -1.989 -4.628 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.322 -0.819 -5.238 1.00 0.00 N ATOM 1126 CZ ARG A 70 -15.713 -0.776 -6.513 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -15.469 -1.805 -7.319 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -16.322 0.303 -6.988 1.00 0.00 N ATOM 0 H ARG A 70 -12.847 -0.318 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.427 -0.931 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.915 -2.166 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.672 -0.454 -2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.405 -0.857 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.515 -2.556 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.912 -2.361 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.434 -2.783 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.469 0.008 -4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.983 -2.628 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.768 -1.772 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.492 1.103 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.620 0.333 -7.963 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.094 -2.478 0.623 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.428 -3.678 1.124 1.00 0.00 C ATOM 1144 C LYS A 71 -12.419 -3.699 2.657 1.00 0.00 C ATOM 1145 O LYS A 71 -13.338 -3.165 3.278 1.00 0.00 O ATOM 1146 CB LYS A 71 -10.998 -3.746 0.579 1.00 0.00 C ATOM 1147 CG LYS A 71 -10.510 -5.164 0.323 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.291 -5.830 -0.793 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.896 -5.286 -2.154 1.00 0.00 C ATOM 1150 NZ LYS A 71 -9.516 -5.688 -2.526 1.00 0.00 N ATOM 0 H LYS A 71 -12.773 -1.607 1.046 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.981 -4.552 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.945 -3.179 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.325 -3.261 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.451 -5.144 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.605 -5.752 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.118 -6.906 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.358 -5.674 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.596 -5.647 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.969 -4.198 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.305 -5.356 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.840 -5.266 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.435 -6.724 -2.492 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.375 -4.330 3.225 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.208 -4.541 4.672 1.00 0.00 C ATOM 1166 C LEU A 72 -11.880 -3.482 5.545 1.00 0.00 C ATOM 1167 O LEU A 72 -11.321 -2.417 5.807 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.722 -4.687 5.097 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.629 -3.972 4.267 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.357 -4.725 2.981 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.977 -2.518 3.971 1.00 0.00 C ATOM 0 H LEU A 72 -10.607 -4.716 2.676 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.722 -5.486 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.638 -4.334 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.485 -5.751 5.105 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.724 -3.966 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.586 -4.206 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.018 -5.734 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.271 -4.777 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.177 -2.064 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.908 -2.474 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.095 -1.974 4.908 1.00 0.00 H new