USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 871 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 Single : A 11 LYS NZ :NH3+ -111:sc= -1.2 (180deg=-3.29!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -110:sc= -5.62! USER MOD Single : A 21 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.95 F(o=-4.8!,f=-3) USER MOD Single : A 35 THR OG1 : rot -178:sc= -0.581 USER MOD Single : A 38 TYR OH : rot -75:sc= 0.648 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 48 GLN : amide:sc= -2.97! C(o=-3!,f=-3.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.11) USER MOD Single : A 54 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.027) USER MOD Single : A 57 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.6) USER MOD Single : A 58 GLN : amide:sc= -1.82 K(o=-1.8,f=-6.5!) USER MOD Single : A 59 CYS SG : rot 134:sc= -1.64! USER MOD Single : A 60 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 87 THR OG1 : rot -87:sc= 0.399 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.05 X(o=-1,f=-0.57) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 78:sc= 0.961 USER MOD Single : A 103 THR OG1 : rot 95:sc= 0.139 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0318) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.343 8.981 8.689 1.00 0.00 N ATOM 117 CA LYS A 11 -9.114 9.487 9.289 1.00 0.00 C ATOM 118 C LYS A 11 -7.997 8.453 9.194 1.00 0.00 C ATOM 119 O LYS A 11 -8.231 7.306 8.812 1.00 0.00 O ATOM 120 CB LYS A 11 -9.355 9.863 10.752 1.00 0.00 C ATOM 121 CG LYS A 11 -10.183 11.123 10.929 1.00 0.00 C ATOM 122 CD LYS A 11 -9.318 12.372 10.868 1.00 0.00 C ATOM 123 CE LYS A 11 -8.407 12.479 12.081 1.00 0.00 C ATOM 124 NZ LYS A 11 -7.080 11.848 11.835 1.00 0.00 N ATOM 0 HA LYS A 11 -8.808 10.376 8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.857 9.035 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.393 9.998 11.247 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.947 11.170 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.703 11.086 11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.716 12.355 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.955 13.255 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.268 13.529 12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.884 12.001 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.991 10.989 12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.996 11.597 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.325 12.517 12.089 1.00 0.00 H new ATOM 138 N ILE A 12 -6.784 8.865 9.548 1.00 0.00 N ATOM 139 CA ILE A 12 -5.633 7.972 9.505 1.00 0.00 C ATOM 140 C ILE A 12 -4.825 8.055 10.796 1.00 0.00 C ATOM 141 O ILE A 12 -4.882 9.054 11.512 1.00 0.00 O ATOM 142 CB ILE A 12 -4.711 8.299 8.314 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.458 7.422 8.356 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.334 9.772 8.324 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.616 7.511 7.103 1.00 0.00 C ATOM 0 H ILE A 12 -6.573 9.811 9.867 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.022 6.961 9.386 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.248 8.089 7.389 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.850 7.711 9.214 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.755 6.385 8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.683 9.987 7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.236 10.379 8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.812 10.008 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.745 6.864 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.207 7.193 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.288 8.540 6.957 1.00 0.00 H new ATOM 157 N ASP A 13 -4.072 7.001 11.084 1.00 0.00 N ATOM 158 CA ASP A 13 -3.249 6.955 12.288 1.00 0.00 C ATOM 159 C ASP A 13 -1.845 7.480 12.006 1.00 0.00 C ATOM 160 O ASP A 13 -0.852 6.885 12.425 1.00 0.00 O ATOM 161 CB ASP A 13 -3.174 5.525 12.825 1.00 0.00 C ATOM 162 CG ASP A 13 -3.167 5.476 14.341 1.00 0.00 C ATOM 163 OD1 ASP A 13 -2.614 6.409 14.962 1.00 0.00 O ATOM 164 OD2 ASP A 13 -3.714 4.507 14.906 1.00 0.00 O ATOM 0 H ASP A 13 -4.013 6.166 10.501 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.712 7.594 13.040 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.023 4.954 12.450 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.273 5.044 12.445 1.00 0.00 H new ATOM 169 N LYS A 14 -1.768 8.597 11.291 1.00 0.00 N ATOM 170 CA LYS A 14 -0.486 9.204 10.953 1.00 0.00 C ATOM 171 C LYS A 14 0.600 8.760 11.928 1.00 0.00 C ATOM 172 O LYS A 14 1.684 8.350 11.517 1.00 0.00 O ATOM 173 CB LYS A 14 -0.602 10.730 10.962 1.00 0.00 C ATOM 174 CG LYS A 14 -0.981 11.320 9.615 1.00 0.00 C ATOM 175 CD LYS A 14 -1.162 12.826 9.696 1.00 0.00 C ATOM 176 CE LYS A 14 -2.472 13.194 10.374 1.00 0.00 C ATOM 177 NZ LYS A 14 -2.462 14.594 10.880 1.00 0.00 N ATOM 0 H LYS A 14 -2.580 9.101 10.934 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.209 8.873 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.347 11.025 11.701 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.349 11.156 11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.208 11.085 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.904 10.860 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.330 13.264 10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.139 13.251 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.293 13.069 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.657 12.510 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.373 14.805 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.694 14.707 11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.312 15.249 10.086 1.00 0.00 H new ATOM 191 N GLU A 15 0.299 8.845 13.220 1.00 0.00 N ATOM 192 CA GLU A 15 1.251 8.451 14.253 1.00 0.00 C ATOM 193 C GLU A 15 1.718 7.014 14.041 1.00 0.00 C ATOM 194 O GLU A 15 2.909 6.755 13.876 1.00 0.00 O ATOM 195 CB GLU A 15 0.623 8.596 15.639 1.00 0.00 C ATOM 196 CG GLU A 15 -0.412 9.706 15.726 1.00 0.00 C ATOM 197 CD GLU A 15 -0.485 10.331 17.105 1.00 0.00 C ATOM 198 OE1 GLU A 15 -0.355 9.589 18.101 1.00 0.00 O ATOM 199 OE2 GLU A 15 -0.671 11.563 17.188 1.00 0.00 O ATOM 0 H GLU A 15 -0.595 9.183 13.576 1.00 0.00 H new ATOM 0 HA GLU A 15 2.116 9.110 14.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.155 7.652 15.917 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.411 8.788 16.367 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.174 10.478 14.994 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.391 9.306 15.460 1.00 0.00 H new ATOM 206 N ALA A 16 0.770 6.082 14.051 1.00 0.00 N ATOM 207 CA ALA A 16 1.083 4.671 13.860 1.00 0.00 C ATOM 208 C ALA A 16 1.580 4.406 12.442 1.00 0.00 C ATOM 209 O ALA A 16 2.482 3.594 12.233 1.00 0.00 O ATOM 210 CB ALA A 16 -0.138 3.814 14.161 1.00 0.00 C ATOM 0 H ALA A 16 -0.221 6.279 14.189 1.00 0.00 H new ATOM 0 HA ALA A 16 1.881 4.404 14.553 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.110 2.763 14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.448 3.973 15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.952 4.092 13.491 1.00 0.00 H new ATOM 216 N CYS A 17 0.986 5.096 11.474 1.00 0.00 N ATOM 217 CA CYS A 17 1.368 4.933 10.076 1.00 0.00 C ATOM 218 C CYS A 17 2.843 5.265 9.873 1.00 0.00 C ATOM 219 O CYS A 17 3.591 4.480 9.289 1.00 0.00 O ATOM 220 CB CYS A 17 0.505 5.825 9.183 1.00 0.00 C ATOM 221 SG CYS A 17 -1.274 5.613 9.426 1.00 0.00 S ATOM 0 H CYS A 17 0.239 5.773 11.632 1.00 0.00 H new ATOM 0 HA CYS A 17 1.207 3.891 9.800 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.765 6.867 9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.746 5.618 8.140 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.789 5.033 8.382 1.00 0.00 H new ATOM 227 N ARG A 18 3.254 6.432 10.357 1.00 0.00 N ATOM 228 CA ARG A 18 4.638 6.869 10.226 1.00 0.00 C ATOM 229 C ARG A 18 5.599 5.777 10.687 1.00 0.00 C ATOM 230 O ARG A 18 6.675 5.601 10.116 1.00 0.00 O ATOM 231 CB ARG A 18 4.871 8.145 11.038 1.00 0.00 C ATOM 232 CG ARG A 18 6.295 8.669 10.952 1.00 0.00 C ATOM 233 CD ARG A 18 6.358 10.163 11.233 1.00 0.00 C ATOM 234 NE ARG A 18 6.045 10.472 12.625 1.00 0.00 N ATOM 235 CZ ARG A 18 6.452 11.574 13.243 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.184 12.469 12.594 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.126 11.785 14.512 1.00 0.00 N ATOM 0 H ARG A 18 2.648 7.092 10.844 1.00 0.00 H new ATOM 0 HA ARG A 18 4.829 7.076 9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.187 8.918 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.627 7.951 12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.923 8.137 11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.699 8.467 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.354 10.535 10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.658 10.684 10.580 1.00 0.00 H new ATOM 0 HE ARG A 18 5.482 9.804 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.435 12.311 11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.496 13.315 13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.562 11.100 15.014 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.440 12.632 14.985 1.00 0.00 H new ATOM 251 N ALA A 19 5.203 5.048 11.725 1.00 0.00 N ATOM 252 CA ALA A 19 6.028 3.973 12.263 1.00 0.00 C ATOM 253 C ALA A 19 6.146 2.822 11.269 1.00 0.00 C ATOM 254 O ALA A 19 7.238 2.311 11.024 1.00 0.00 O ATOM 255 CB ALA A 19 5.454 3.476 13.582 1.00 0.00 C ATOM 0 H ALA A 19 4.316 5.182 12.210 1.00 0.00 H new ATOM 0 HA ALA A 19 7.027 4.370 12.441 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.080 2.674 13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.427 4.296 14.299 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.443 3.102 13.421 1.00 0.00 H new ATOM 261 N ALA A 20 5.013 2.419 10.701 1.00 0.00 N ATOM 262 CA ALA A 20 4.991 1.330 9.732 1.00 0.00 C ATOM 263 C ALA A 20 5.718 1.720 8.450 1.00 0.00 C ATOM 264 O ALA A 20 6.468 0.924 7.884 1.00 0.00 O ATOM 265 CB ALA A 20 3.557 0.925 9.427 1.00 0.00 C ATOM 0 H ALA A 20 4.100 2.830 10.895 1.00 0.00 H new ATOM 0 HA ALA A 20 5.513 0.478 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.555 0.111 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.069 0.595 10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.018 1.778 9.016 1.00 0.00 H new ATOM 271 N TYR A 21 5.490 2.947 7.997 1.00 0.00 N ATOM 272 CA TYR A 21 6.122 3.442 6.779 1.00 0.00 C ATOM 273 C TYR A 21 7.625 3.608 6.973 1.00 0.00 C ATOM 274 O TYR A 21 8.391 3.604 6.010 1.00 0.00 O ATOM 275 CB TYR A 21 5.499 4.775 6.362 1.00 0.00 C ATOM 276 CG TYR A 21 6.438 5.662 5.576 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.662 5.443 4.222 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.101 6.720 6.187 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.520 6.250 3.501 1.00 0.00 C ATOM 280 CE2 TYR A 21 7.959 7.533 5.473 1.00 0.00 C ATOM 281 CZ TYR A 21 8.166 7.294 4.131 1.00 0.00 C ATOM 282 OH TYR A 21 9.020 8.101 3.414 1.00 0.00 O ATOM 0 H TYR A 21 4.872 3.618 8.454 1.00 0.00 H new ATOM 0 HA TYR A 21 5.956 2.708 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.610 4.579 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.171 5.308 7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.157 4.628 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.942 6.909 7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.684 6.065 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.465 8.352 5.963 1.00 0.00 H new ATOM 0 HH TYR A 21 9.393 8.789 4.004 1.00 0.00 H new ATOM 292 N ASN A 22 8.041 3.752 8.227 1.00 0.00 N ATOM 293 CA ASN A 22 9.453 3.920 8.551 1.00 0.00 C ATOM 294 C ASN A 22 10.131 2.566 8.745 1.00 0.00 C ATOM 295 O ASN A 22 11.193 2.306 8.181 1.00 0.00 O ATOM 296 CB ASN A 22 9.612 4.768 9.814 1.00 0.00 C ATOM 297 CG ASN A 22 9.338 6.238 9.561 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.703 6.895 10.525 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 9.693 6.776 8.512 1.00 0.00 N flip ATOM 0 H ASN A 22 7.420 3.756 9.036 1.00 0.00 H new ATOM 0 HA ASN A 22 9.933 4.431 7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.932 4.401 10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.624 4.651 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.178 6.232 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.502 7.766 8.356 1.00 0.00 H new ATOM 306 N LEU A 23 9.508 1.709 9.546 1.00 0.00 N ATOM 307 CA LEU A 23 10.050 0.381 9.814 1.00 0.00 C ATOM 308 C LEU A 23 10.502 -0.293 8.524 1.00 0.00 C ATOM 309 O LEU A 23 11.328 -1.205 8.543 1.00 0.00 O ATOM 310 CB LEU A 23 9.005 -0.486 10.518 1.00 0.00 C ATOM 311 CG LEU A 23 9.129 -0.543 12.041 1.00 0.00 C ATOM 312 CD1 LEU A 23 7.761 -0.430 12.694 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.822 -1.828 12.470 1.00 0.00 C ATOM 0 H LEU A 23 8.628 1.909 10.021 1.00 0.00 H new ATOM 0 HA LEU A 23 10.917 0.494 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.014 -0.111 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.073 -1.501 10.125 1.00 0.00 H new ATOM 0 HG LEU A 23 9.735 0.302 12.369 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.870 -0.473 13.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.301 0.517 12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.129 -1.253 12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.902 -1.853 13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.242 -2.686 12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.819 -1.867 12.032 1.00 0.00 H new ATOM 325 N VAL A 24 9.954 0.163 7.401 1.00 0.00 N ATOM 326 CA VAL A 24 10.301 -0.395 6.100 1.00 0.00 C ATOM 327 C VAL A 24 11.255 0.523 5.344 1.00 0.00 C ATOM 328 O VAL A 24 12.181 0.061 4.677 1.00 0.00 O ATOM 329 CB VAL A 24 9.047 -0.634 5.239 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.165 0.604 5.224 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.440 -1.035 3.826 1.00 0.00 C ATOM 0 H VAL A 24 9.268 0.917 7.367 1.00 0.00 H new ATOM 0 HA VAL A 24 10.792 -1.350 6.287 1.00 0.00 H new ATOM 0 HB VAL A 24 8.476 -1.452 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.284 0.416 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.855 0.842 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.723 1.443 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.541 -1.200 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.033 -0.240 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.027 -1.953 3.858 1.00 0.00 H new ATOM 341 N ARG A 25 11.022 1.827 5.454 1.00 0.00 N ATOM 342 CA ARG A 25 11.861 2.812 4.781 1.00 0.00 C ATOM 343 C ARG A 25 13.275 2.806 5.355 1.00 0.00 C ATOM 344 O ARG A 25 14.235 3.159 4.670 1.00 0.00 O ATOM 345 CB ARG A 25 11.251 4.208 4.914 1.00 0.00 C ATOM 346 CG ARG A 25 12.276 5.297 5.187 1.00 0.00 C ATOM 347 CD ARG A 25 11.665 6.683 5.054 1.00 0.00 C ATOM 348 NE ARG A 25 12.643 7.673 4.614 1.00 0.00 N ATOM 349 CZ ARG A 25 13.460 8.317 5.440 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.416 8.075 6.743 1.00 0.00 N ATOM 351 NH2 ARG A 25 14.325 9.204 4.963 1.00 0.00 N ATOM 0 H ARG A 25 10.260 2.226 6.002 1.00 0.00 H new ATOM 0 HA ARG A 25 11.915 2.545 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.713 4.449 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.518 4.200 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.683 5.172 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.109 5.197 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.840 6.648 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.247 6.988 6.013 1.00 0.00 H new ATOM 0 HE ARG A 25 12.702 7.882 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.754 7.393 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.044 8.571 7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.363 9.392 3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.952 9.698 5.598 1.00 0.00 H new ATOM 365 N ASP A 26 13.394 2.403 6.615 1.00 0.00 N ATOM 366 CA ASP A 26 14.691 2.351 7.282 1.00 0.00 C ATOM 367 C ASP A 26 15.443 1.079 6.905 1.00 0.00 C ATOM 368 O ASP A 26 14.919 0.223 6.192 1.00 0.00 O ATOM 369 CB ASP A 26 14.510 2.423 8.798 1.00 0.00 C ATOM 370 CG ASP A 26 15.812 2.706 9.522 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.377 3.802 9.321 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.267 1.833 10.291 1.00 0.00 O ATOM 0 H ASP A 26 12.609 2.108 7.195 1.00 0.00 H new ATOM 0 HA ASP A 26 15.278 3.209 6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.787 3.202 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.095 1.481 9.157 1.00 0.00 H new ATOM 417 N VAL A 31 12.010 -5.139 8.662 1.00 0.00 N ATOM 418 CA VAL A 31 10.722 -4.957 8.003 1.00 0.00 C ATOM 419 C VAL A 31 10.898 -4.376 6.605 1.00 0.00 C ATOM 420 O VAL A 31 11.588 -3.372 6.421 1.00 0.00 O ATOM 421 CB VAL A 31 9.799 -4.032 8.819 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.484 -3.808 8.087 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.556 -4.610 10.204 1.00 0.00 C ATOM 0 HA VAL A 31 10.262 -5.943 7.929 1.00 0.00 H new ATOM 0 HB VAL A 31 10.291 -3.066 8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.845 -3.152 8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.680 -3.347 7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.983 -4.765 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.902 -3.944 10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.085 -5.589 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.507 -4.713 10.727 1.00 0.00 H new ATOM 433 N ILE A 32 10.270 -5.012 5.623 1.00 0.00 N ATOM 434 CA ILE A 32 10.356 -4.557 4.240 1.00 0.00 C ATOM 435 C ILE A 32 8.978 -4.210 3.689 1.00 0.00 C ATOM 436 O ILE A 32 8.858 -3.504 2.687 1.00 0.00 O ATOM 437 CB ILE A 32 11.004 -5.622 3.336 1.00 0.00 C ATOM 438 CG1 ILE A 32 9.983 -6.700 2.968 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.210 -6.241 4.027 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.449 -7.624 1.864 1.00 0.00 C ATOM 0 H ILE A 32 9.696 -5.844 5.758 1.00 0.00 H new ATOM 0 HA ILE A 32 10.980 -3.664 4.240 1.00 0.00 H new ATOM 0 HB ILE A 32 11.343 -5.141 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.757 -7.292 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.054 -6.219 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.657 -6.992 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.944 -5.465 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.894 -6.711 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.674 -8.362 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.648 -7.043 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.361 -8.133 2.176 1.00 0.00 H new ATOM 452 N TRP A 33 7.939 -4.708 4.350 1.00 0.00 N ATOM 453 CA TRP A 33 6.568 -4.449 3.927 1.00 0.00 C ATOM 454 C TRP A 33 5.681 -4.125 5.124 1.00 0.00 C ATOM 455 O TRP A 33 5.905 -4.621 6.228 1.00 0.00 O ATOM 456 CB TRP A 33 6.007 -5.657 3.174 1.00 0.00 C ATOM 457 CG TRP A 33 5.894 -6.887 4.024 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.740 -7.959 4.029 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.877 -7.170 4.990 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.309 -8.892 4.941 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.169 -8.432 5.544 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.749 -6.480 5.443 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.372 -9.016 6.525 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.959 -7.062 6.417 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.275 -8.318 6.950 1.00 0.00 C ATOM 0 H TRP A 33 8.020 -5.294 5.181 1.00 0.00 H new ATOM 0 HA TRP A 33 6.577 -3.586 3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.023 -5.405 2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.648 -5.873 2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.618 -8.059 3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.765 -9.783 5.137 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.499 -5.510 5.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.611 -9.986 6.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.083 -6.539 6.773 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.640 -8.744 7.712 1.00 0.00 H new ATOM 476 N VAL A 34 4.673 -3.288 4.898 1.00 0.00 N ATOM 477 CA VAL A 34 3.751 -2.898 5.959 1.00 0.00 C ATOM 478 C VAL A 34 2.364 -2.601 5.401 1.00 0.00 C ATOM 479 O VAL A 34 2.213 -1.802 4.476 1.00 0.00 O ATOM 480 CB VAL A 34 4.262 -1.660 6.720 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.538 -1.989 7.480 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.488 -0.502 5.760 1.00 0.00 C ATOM 0 H VAL A 34 4.474 -2.867 3.990 1.00 0.00 H new ATOM 0 HA VAL A 34 3.689 -3.740 6.649 1.00 0.00 H new ATOM 0 HB VAL A 34 3.504 -1.361 7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.884 -1.102 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.340 -2.787 8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.306 -2.314 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.849 0.365 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.227 -0.788 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.550 -0.251 5.265 1.00 0.00 H new ATOM 492 N THR A 35 1.352 -3.250 5.969 1.00 0.00 N ATOM 493 CA THR A 35 -0.023 -3.055 5.528 1.00 0.00 C ATOM 494 C THR A 35 -0.751 -2.055 6.418 1.00 0.00 C ATOM 495 O THR A 35 -0.386 -1.863 7.579 1.00 0.00 O ATOM 496 CB THR A 35 -0.804 -4.384 5.522 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.493 -5.139 6.698 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.469 -5.203 4.284 1.00 0.00 C ATOM 0 H THR A 35 1.459 -3.915 6.735 1.00 0.00 H new ATOM 0 HA THR A 35 0.024 -2.664 4.512 1.00 0.00 H new ATOM 0 HB THR A 35 -1.869 -4.154 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.971 -5.994 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.032 -6.136 4.302 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.733 -4.637 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.598 -5.423 4.271 1.00 0.00 H new ATOM 506 N PHE A 36 -1.782 -1.422 5.869 1.00 0.00 N ATOM 507 CA PHE A 36 -2.561 -0.441 6.615 1.00 0.00 C ATOM 508 C PHE A 36 -4.057 -0.658 6.401 1.00 0.00 C ATOM 509 O PHE A 36 -4.623 -0.212 5.403 1.00 0.00 O ATOM 510 CB PHE A 36 -2.174 0.977 6.192 1.00 0.00 C ATOM 511 CG PHE A 36 -0.691 1.207 6.150 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.053 0.813 5.049 1.00 0.00 C ATOM 513 CD2 PHE A 36 -0.041 1.816 7.211 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.419 1.023 5.008 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.325 2.029 7.175 1.00 0.00 C ATOM 516 CZ PHE A 36 2.055 1.632 6.072 1.00 0.00 C ATOM 0 H PHE A 36 -2.097 -1.571 4.910 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.341 -0.569 7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.593 1.181 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.624 1.689 6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.440 0.337 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.607 2.128 8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.988 0.711 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.820 2.505 8.008 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.122 1.798 6.041 1.00 0.00 H new ATOM 526 N ARG A 37 -4.690 -1.345 7.346 1.00 0.00 N ATOM 527 CA ARG A 37 -6.119 -1.623 7.261 1.00 0.00 C ATOM 528 C ARG A 37 -6.917 -0.628 8.098 1.00 0.00 C ATOM 529 O ARG A 37 -6.349 0.265 8.728 1.00 0.00 O ATOM 530 CB ARG A 37 -6.411 -3.050 7.730 1.00 0.00 C ATOM 531 CG ARG A 37 -5.965 -3.326 9.157 1.00 0.00 C ATOM 532 CD ARG A 37 -5.600 -4.789 9.353 1.00 0.00 C ATOM 533 NE ARG A 37 -6.747 -5.586 9.780 1.00 0.00 N ATOM 534 CZ ARG A 37 -6.829 -6.902 9.619 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.836 -7.565 9.041 1.00 0.00 N ATOM 536 NH2 ARG A 37 -7.905 -7.557 10.034 1.00 0.00 N ATOM 0 H ARG A 37 -4.236 -1.719 8.179 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.422 -1.521 6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.482 -3.238 7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.914 -3.752 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.106 -2.700 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.763 -3.053 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.205 -5.192 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.806 -4.868 10.096 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.528 -5.106 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.008 -7.064 8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.901 -8.576 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.671 -7.050 10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.966 -8.568 9.910 1.00 0.00 H new ATOM 550 N TYR A 38 -8.236 -0.787 8.099 1.00 0.00 N ATOM 551 CA TYR A 38 -9.112 0.099 8.855 1.00 0.00 C ATOM 552 C TYR A 38 -9.608 -0.581 10.128 1.00 0.00 C ATOM 553 O TYR A 38 -9.765 -1.801 10.172 1.00 0.00 O ATOM 554 CB TYR A 38 -10.302 0.529 7.996 1.00 0.00 C ATOM 555 CG TYR A 38 -9.904 1.188 6.695 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.676 0.432 5.552 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.754 2.567 6.609 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.311 1.030 4.361 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.391 3.173 5.423 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.170 2.401 4.301 1.00 0.00 C ATOM 561 OH TYR A 38 -8.806 3.001 3.118 1.00 0.00 O ATOM 0 H TYR A 38 -8.722 -1.522 7.584 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.538 0.982 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.916 -0.345 7.778 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.922 1.219 8.568 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.786 -0.642 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.924 3.175 7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.137 0.427 3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.281 4.246 5.374 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.851 2.851 2.956 1.00 0.00 H new ATOM 571 N ASP A 39 -9.853 0.218 11.161 1.00 0.00 N ATOM 572 CA ASP A 39 -10.333 -0.305 12.434 1.00 0.00 C ATOM 573 C ASP A 39 -11.652 0.351 12.829 1.00 0.00 C ATOM 574 O ASP A 39 -12.087 0.256 13.977 1.00 0.00 O ATOM 575 CB ASP A 39 -9.289 -0.079 13.529 1.00 0.00 C ATOM 576 CG ASP A 39 -9.390 -1.099 14.645 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.833 -2.235 14.374 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.026 -0.762 15.792 1.00 0.00 O ATOM 0 H ASP A 39 -9.727 1.230 11.141 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.501 -1.376 12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.292 -0.122 13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.412 0.922 13.943 1.00 0.00 H new ATOM 583 N GLY A 40 -12.285 1.020 11.869 1.00 0.00 N ATOM 584 CA GLY A 40 -13.548 1.683 12.137 1.00 0.00 C ATOM 585 C GLY A 40 -13.520 3.154 11.768 1.00 0.00 C ATOM 586 O GLY A 40 -13.526 4.019 12.643 1.00 0.00 O ATOM 0 H GLY A 40 -11.946 1.114 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.341 1.186 11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.791 1.581 13.195 1.00 0.00 H new ATOM 590 N ALA A 41 -13.486 3.436 10.471 1.00 0.00 N ATOM 591 CA ALA A 41 -13.456 4.811 9.988 1.00 0.00 C ATOM 592 C ALA A 41 -12.117 5.472 10.296 1.00 0.00 C ATOM 593 O ALA A 41 -12.024 6.697 10.386 1.00 0.00 O ATOM 594 CB ALA A 41 -14.596 5.611 10.604 1.00 0.00 C ATOM 0 H ALA A 41 -13.479 2.730 9.735 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.582 4.793 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.562 6.636 10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.548 5.158 10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.495 5.613 11.689 1.00 0.00 H new ATOM 600 N THR A 42 -11.082 4.654 10.457 1.00 0.00 N ATOM 601 CA THR A 42 -9.748 5.159 10.757 1.00 0.00 C ATOM 602 C THR A 42 -8.673 4.183 10.293 1.00 0.00 C ATOM 603 O THR A 42 -8.657 3.022 10.703 1.00 0.00 O ATOM 604 CB THR A 42 -9.572 5.420 12.265 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.644 6.238 12.748 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.241 6.102 12.544 1.00 0.00 C ATOM 0 H THR A 42 -11.142 3.638 10.385 1.00 0.00 H new ATOM 0 HA THR A 42 -9.638 6.100 10.218 1.00 0.00 H new ATOM 0 HB THR A 42 -9.586 4.461 12.782 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.526 6.398 13.708 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.139 6.276 13.615 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.426 5.464 12.201 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.203 7.055 12.016 1.00 0.00 H new ATOM 614 N ILE A 43 -7.776 4.661 9.438 1.00 0.00 N ATOM 615 CA ILE A 43 -6.696 3.829 8.920 1.00 0.00 C ATOM 616 C ILE A 43 -5.625 3.596 9.980 1.00 0.00 C ATOM 617 O ILE A 43 -5.208 4.526 10.672 1.00 0.00 O ATOM 618 CB ILE A 43 -6.043 4.463 7.678 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.092 4.704 6.591 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.925 3.574 7.155 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.732 5.825 5.641 1.00 0.00 C ATOM 0 H ILE A 43 -7.775 5.619 9.089 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.140 2.874 8.639 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.614 5.424 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.230 3.785 6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.047 4.932 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.473 4.036 6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.168 3.448 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.332 2.600 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.521 5.939 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.623 6.754 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.793 5.590 5.140 1.00 0.00 H new ATOM 633 N VAL A 44 -5.182 2.349 10.102 1.00 0.00 N ATOM 634 CA VAL A 44 -4.157 1.994 11.077 1.00 0.00 C ATOM 635 C VAL A 44 -3.287 0.850 10.566 1.00 0.00 C ATOM 636 O VAL A 44 -3.757 -0.071 9.900 1.00 0.00 O ATOM 637 CB VAL A 44 -4.781 1.587 12.425 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.632 2.717 12.982 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.602 0.316 12.269 1.00 0.00 C ATOM 0 H VAL A 44 -5.517 1.568 9.538 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.539 2.880 11.224 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.977 1.388 13.133 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.065 2.411 13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.011 3.600 13.132 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.431 2.951 12.279 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.036 0.043 13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.400 0.485 11.546 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.959 -0.491 11.918 1.00 0.00 H new ATOM 649 N PRO A 45 -1.985 0.910 10.885 1.00 0.00 N ATOM 650 CA PRO A 45 -1.020 -0.113 10.471 1.00 0.00 C ATOM 651 C PRO A 45 -1.475 -1.521 10.837 1.00 0.00 C ATOM 652 O PRO A 45 -1.614 -1.852 12.014 1.00 0.00 O ATOM 653 CB PRO A 45 0.247 0.258 11.245 1.00 0.00 C ATOM 654 CG PRO A 45 0.116 1.718 11.507 1.00 0.00 C ATOM 655 CD PRO A 45 -1.355 1.980 11.677 1.00 0.00 C ATOM 0 HA PRO A 45 -0.884 -0.130 9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.322 -0.306 12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.144 0.039 10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.669 2.005 12.401 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.523 2.300 10.680 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.653 1.934 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.632 2.968 11.310 1.00 0.00 H new ATOM 663 N GLY A 46 -1.704 -2.347 9.821 1.00 0.00 N ATOM 664 CA GLY A 46 -2.141 -3.711 10.058 1.00 0.00 C ATOM 665 C GLY A 46 -0.981 -4.656 10.302 1.00 0.00 C ATOM 666 O GLY A 46 -0.313 -4.575 11.333 1.00 0.00 O ATOM 0 H GLY A 46 -1.595 -2.096 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.809 -3.731 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.716 -4.060 9.200 1.00 0.00 H new ATOM 670 N ASP A 47 -0.743 -5.556 9.354 1.00 0.00 N ATOM 671 CA ASP A 47 0.344 -6.520 9.472 1.00 0.00 C ATOM 672 C ASP A 47 1.697 -5.842 9.280 1.00 0.00 C ATOM 673 O ASP A 47 1.767 -4.658 8.954 1.00 0.00 O ATOM 674 CB ASP A 47 0.171 -7.642 8.445 1.00 0.00 C ATOM 675 CG ASP A 47 -1.212 -8.261 8.490 1.00 0.00 C ATOM 676 OD1 ASP A 47 -1.518 -8.959 9.480 1.00 0.00 O ATOM 677 OD2 ASP A 47 -1.988 -8.046 7.537 1.00 0.00 O ATOM 0 H ASP A 47 -1.288 -5.638 8.496 1.00 0.00 H new ATOM 0 HA ASP A 47 0.312 -6.946 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.357 -7.248 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.918 -8.415 8.627 1.00 0.00 H new ATOM 682 N GLN A 48 2.768 -6.601 9.487 1.00 0.00 N ATOM 683 CA GLN A 48 4.118 -6.072 9.339 1.00 0.00 C ATOM 684 C GLN A 48 5.151 -7.193 9.398 1.00 0.00 C ATOM 685 O GLN A 48 5.011 -8.140 10.171 1.00 0.00 O ATOM 686 CB GLN A 48 4.407 -5.040 10.430 1.00 0.00 C ATOM 687 CG GLN A 48 5.803 -4.443 10.350 1.00 0.00 C ATOM 688 CD GLN A 48 6.208 -3.732 11.626 1.00 0.00 C ATOM 689 OE1 GLN A 48 7.210 -4.078 12.251 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.429 -2.731 12.020 1.00 0.00 N ATOM 0 H GLN A 48 2.727 -7.584 9.758 1.00 0.00 H new ATOM 0 HA GLN A 48 4.187 -5.589 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.673 -4.237 10.362 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.277 -5.509 11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.521 -5.235 10.136 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.846 -3.740 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.607 -2.478 11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.652 -2.216 12.871 1.00 0.00 H new ATOM 699 N GLY A 49 6.190 -7.079 8.575 1.00 0.00 N ATOM 700 CA GLY A 49 7.230 -8.089 8.548 1.00 0.00 C ATOM 701 C GLY A 49 8.183 -7.910 7.383 1.00 0.00 C ATOM 702 O GLY A 49 7.991 -7.028 6.546 1.00 0.00 O ATOM 0 H GLY A 49 6.329 -6.304 7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.792 -8.053 9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.772 -9.076 8.490 1.00 0.00 H new ATOM 706 N ALA A 50 9.214 -8.747 7.329 1.00 0.00 N ATOM 707 CA ALA A 50 10.200 -8.676 6.258 1.00 0.00 C ATOM 708 C ALA A 50 9.920 -9.721 5.183 1.00 0.00 C ATOM 709 O ALA A 50 10.419 -9.623 4.063 1.00 0.00 O ATOM 710 CB ALA A 50 11.603 -8.856 6.819 1.00 0.00 C ATOM 0 H ALA A 50 9.388 -9.482 8.014 1.00 0.00 H new ATOM 0 HA ALA A 50 10.128 -7.691 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.329 -8.801 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.809 -8.069 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.678 -9.828 7.307 1.00 0.00 H new ATOM 716 N ASP A 51 9.117 -10.721 5.533 1.00 0.00 N ATOM 717 CA ASP A 51 8.770 -11.785 4.598 1.00 0.00 C ATOM 718 C ASP A 51 7.587 -11.377 3.725 1.00 0.00 C ATOM 719 O ASP A 51 6.446 -11.339 4.187 1.00 0.00 O ATOM 720 CB ASP A 51 8.440 -13.072 5.357 1.00 0.00 C ATOM 721 CG ASP A 51 9.676 -13.891 5.672 1.00 0.00 C ATOM 722 OD1 ASP A 51 10.610 -13.340 6.290 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.710 -15.083 5.301 1.00 0.00 O ATOM 0 H ASP A 51 8.695 -10.817 6.457 1.00 0.00 H new ATOM 0 HA ASP A 51 9.630 -11.963 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.927 -12.821 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.750 -13.673 4.764 1.00 0.00 H new ATOM 728 N TYR A 52 7.868 -11.070 2.464 1.00 0.00 N ATOM 729 CA TYR A 52 6.827 -10.661 1.527 1.00 0.00 C ATOM 730 C TYR A 52 5.715 -11.702 1.460 1.00 0.00 C ATOM 731 O TYR A 52 4.567 -11.381 1.150 1.00 0.00 O ATOM 732 CB TYR A 52 7.422 -10.443 0.135 1.00 0.00 C ATOM 733 CG TYR A 52 6.635 -9.470 -0.714 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.400 -9.821 -1.242 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.127 -8.200 -0.986 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.677 -8.937 -2.020 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.412 -7.308 -1.761 1.00 0.00 C ATOM 738 CZ TYR A 52 5.187 -7.681 -2.276 1.00 0.00 C ATOM 739 OH TYR A 52 4.471 -6.796 -3.048 1.00 0.00 O ATOM 0 H TYR A 52 8.807 -11.096 2.066 1.00 0.00 H new ATOM 0 HA TYR A 52 6.401 -9.723 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.444 -10.078 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.477 -11.401 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.997 -10.803 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.085 -7.905 -0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.719 -9.227 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.809 -6.324 -1.963 1.00 0.00 H new ATOM 0 HH TYR A 52 4.970 -5.956 -3.131 1.00 0.00 H new ATOM 749 N GLN A 53 6.063 -12.951 1.753 1.00 0.00 N ATOM 750 CA GLN A 53 5.094 -14.041 1.725 1.00 0.00 C ATOM 751 C GLN A 53 4.090 -13.904 2.865 1.00 0.00 C ATOM 752 O GLN A 53 2.995 -14.465 2.811 1.00 0.00 O ATOM 753 CB GLN A 53 5.810 -15.389 1.819 1.00 0.00 C ATOM 754 CG GLN A 53 6.621 -15.736 0.580 1.00 0.00 C ATOM 755 CD GLN A 53 5.758 -15.898 -0.656 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.235 -16.979 -0.924 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.604 -14.820 -1.417 1.00 0.00 N ATOM 0 H GLN A 53 7.008 -13.233 2.012 1.00 0.00 H new ATOM 0 HA GLN A 53 4.553 -13.990 0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.472 -15.380 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.071 -16.172 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.359 -14.954 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.172 -16.660 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.056 -13.943 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.034 -14.869 -2.261 1.00 0.00 H new ATOM 766 N HIS A 54 4.470 -13.157 3.895 1.00 0.00 N ATOM 767 CA HIS A 54 3.601 -12.946 5.048 1.00 0.00 C ATOM 768 C HIS A 54 2.560 -11.870 4.756 1.00 0.00 C ATOM 769 O HIS A 54 1.472 -11.872 5.331 1.00 0.00 O ATOM 770 CB HIS A 54 4.429 -12.552 6.272 1.00 0.00 C ATOM 771 CG HIS A 54 4.894 -13.722 7.083 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.485 -13.592 8.321 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.849 -15.050 6.827 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.787 -14.789 8.791 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.411 -15.692 7.903 1.00 0.00 N ATOM 0 H HIS A 54 5.373 -12.687 3.956 1.00 0.00 H new ATOM 0 HA HIS A 54 3.081 -13.882 5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.297 -11.980 5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.834 -11.894 6.906 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.446 -15.518 5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.261 -14.994 9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.520 -16.701 8.001 1.00 0.00 H new ATOM 784 N PHE A 55 2.901 -10.952 3.857 1.00 0.00 N ATOM 785 CA PHE A 55 1.997 -9.869 3.489 1.00 0.00 C ATOM 786 C PHE A 55 0.906 -10.368 2.547 1.00 0.00 C ATOM 787 O PHE A 55 -0.267 -10.029 2.703 1.00 0.00 O ATOM 788 CB PHE A 55 2.775 -8.728 2.830 1.00 0.00 C ATOM 789 CG PHE A 55 2.034 -8.072 1.701 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.884 -7.337 1.943 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.486 -8.189 0.397 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.199 -6.733 0.906 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.806 -7.587 -0.646 1.00 0.00 C ATOM 794 CZ PHE A 55 0.662 -6.857 -0.390 1.00 0.00 C ATOM 0 H PHE A 55 3.797 -10.937 3.370 1.00 0.00 H new ATOM 0 HA PHE A 55 1.525 -9.498 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.011 -7.977 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.723 -9.114 2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.519 -7.235 2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.381 -8.758 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.697 -6.165 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.169 -7.688 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.130 -6.384 -1.202 1.00 0.00 H new ATOM 804 N ILE A 56 1.302 -11.175 1.568 1.00 0.00 N ATOM 805 CA ILE A 56 0.359 -11.721 0.600 1.00 0.00 C ATOM 806 C ILE A 56 -0.623 -12.677 1.268 1.00 0.00 C ATOM 807 O ILE A 56 -1.676 -12.989 0.713 1.00 0.00 O ATOM 808 CB ILE A 56 1.086 -12.461 -0.538 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.999 -11.499 -1.300 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.078 -13.102 -1.481 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.899 -12.186 -2.303 1.00 0.00 C ATOM 0 H ILE A 56 2.269 -11.465 1.424 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.188 -10.876 0.181 1.00 0.00 H new ATOM 0 HB ILE A 56 1.702 -13.249 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.385 -10.763 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.615 -10.953 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.607 -13.621 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.535 -13.814 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.561 -12.330 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.518 -11.443 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.539 -12.902 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.290 -12.709 -3.040 1.00 0.00 H new ATOM 823 N GLN A 57 -0.270 -13.138 2.464 1.00 0.00 N ATOM 824 CA GLN A 57 -1.122 -14.058 3.209 1.00 0.00 C ATOM 825 C GLN A 57 -2.175 -13.300 4.010 1.00 0.00 C ATOM 826 O GLN A 57 -2.965 -13.899 4.737 1.00 0.00 O ATOM 827 CB GLN A 57 -0.276 -14.923 4.146 1.00 0.00 C ATOM 828 CG GLN A 57 0.364 -16.118 3.459 1.00 0.00 C ATOM 829 CD GLN A 57 -0.568 -16.792 2.472 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.474 -17.530 2.859 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.350 -16.539 1.186 1.00 0.00 N ATOM 0 H GLN A 57 0.599 -12.890 2.937 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.632 -14.701 2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.507 -14.307 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.903 -15.278 4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.265 -15.793 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.674 -16.842 4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.413 -15.921 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.946 -16.963 0.475 1.00 0.00 H new ATOM 840 N GLN A 58 -2.179 -11.978 3.870 1.00 0.00 N ATOM 841 CA GLN A 58 -3.134 -11.138 4.581 1.00 0.00 C ATOM 842 C GLN A 58 -4.174 -10.564 3.624 1.00 0.00 C ATOM 843 O GLN A 58 -5.319 -10.326 4.006 1.00 0.00 O ATOM 844 CB GLN A 58 -2.408 -10.002 5.304 1.00 0.00 C ATOM 845 CG GLN A 58 -1.045 -10.399 5.846 1.00 0.00 C ATOM 846 CD GLN A 58 -1.126 -11.049 7.213 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.079 -10.828 7.962 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.126 -11.857 7.546 1.00 0.00 N ATOM 0 H GLN A 58 -1.531 -11.466 3.271 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.647 -11.758 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.287 -9.164 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.029 -9.651 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.568 -11.087 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.411 -9.515 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.643 -12.011 6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.127 -12.323 8.453 1.00 0.00 H new ATOM 857 N CYS A 59 -3.766 -10.345 2.378 1.00 0.00 N ATOM 858 CA CYS A 59 -4.662 -9.798 1.365 1.00 0.00 C ATOM 859 C CYS A 59 -5.594 -10.878 0.825 1.00 0.00 C ATOM 860 O CYS A 59 -5.152 -11.834 0.187 1.00 0.00 O ATOM 861 CB CYS A 59 -3.857 -9.183 0.221 1.00 0.00 C ATOM 862 SG CYS A 59 -2.655 -7.940 0.749 1.00 0.00 S ATOM 0 H CYS A 59 -2.821 -10.538 2.046 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.267 -9.021 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.332 -9.978 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.546 -8.727 -0.490 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.515 -8.164 0.166 1.00 0.00 H new ATOM 868 N THR A 60 -6.888 -10.721 1.086 1.00 0.00 N ATOM 869 CA THR A 60 -7.883 -11.683 0.628 1.00 0.00 C ATOM 870 C THR A 60 -9.039 -10.984 -0.077 1.00 0.00 C ATOM 871 O THR A 60 -9.129 -9.756 -0.077 1.00 0.00 O ATOM 872 CB THR A 60 -8.438 -12.516 1.799 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.289 -11.706 2.617 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.307 -13.085 2.642 1.00 0.00 C ATOM 0 H THR A 60 -7.272 -9.936 1.613 1.00 0.00 H new ATOM 0 HA THR A 60 -7.381 -12.348 -0.075 1.00 0.00 H new ATOM 0 HB THR A 60 -9.014 -13.344 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.639 -12.244 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.723 -13.669 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.678 -13.725 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.708 -12.269 3.045 1.00 0.00 H new ATOM 882 N ASP A 61 -9.925 -11.773 -0.676 1.00 0.00 N ATOM 883 CA ASP A 61 -11.078 -11.229 -1.384 1.00 0.00 C ATOM 884 C ASP A 61 -12.140 -10.745 -0.401 1.00 0.00 C ATOM 885 O ASP A 61 -13.214 -10.298 -0.803 1.00 0.00 O ATOM 886 CB ASP A 61 -11.673 -12.284 -2.318 1.00 0.00 C ATOM 887 CG ASP A 61 -12.177 -13.502 -1.570 1.00 0.00 C ATOM 888 OD1 ASP A 61 -13.154 -13.366 -0.804 1.00 0.00 O ATOM 889 OD2 ASP A 61 -11.594 -14.593 -1.748 1.00 0.00 O ATOM 0 H ASP A 61 -9.867 -12.791 -0.685 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.742 -10.378 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.494 -11.843 -2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.918 -12.592 -3.041 1.00 0.00 H new ATOM 894 N ASP A 62 -11.831 -10.837 0.887 1.00 0.00 N ATOM 895 CA ASP A 62 -12.759 -10.407 1.928 1.00 0.00 C ATOM 896 C ASP A 62 -12.146 -9.302 2.781 1.00 0.00 C ATOM 897 O ASP A 62 -12.598 -9.039 3.895 1.00 0.00 O ATOM 898 CB ASP A 62 -13.150 -11.593 2.812 1.00 0.00 C ATOM 899 CG ASP A 62 -14.209 -12.468 2.171 1.00 0.00 C ATOM 900 OD1 ASP A 62 -15.371 -12.021 2.075 1.00 0.00 O ATOM 901 OD2 ASP A 62 -13.875 -13.600 1.764 1.00 0.00 O ATOM 0 H ASP A 62 -10.946 -11.205 1.236 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.653 -10.013 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.265 -12.193 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.519 -11.223 3.769 1.00 0.00 H new ATOM 906 N VAL A 63 -11.110 -8.658 2.250 1.00 0.00 N ATOM 907 CA VAL A 63 -10.434 -7.580 2.962 1.00 0.00 C ATOM 908 C VAL A 63 -9.723 -6.643 1.994 1.00 0.00 C ATOM 909 O VAL A 63 -9.303 -7.053 0.912 1.00 0.00 O ATOM 910 CB VAL A 63 -9.410 -8.131 3.972 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.351 -8.961 3.260 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.769 -6.995 4.754 1.00 0.00 C ATOM 0 H VAL A 63 -10.721 -8.864 1.330 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.203 -7.025 3.500 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.933 -8.778 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.636 -9.342 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.827 -9.797 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.830 -8.339 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.048 -7.403 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.259 -6.321 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.539 -6.446 5.295 1.00 0.00 H new ATOM 922 N ARG A 64 -9.590 -5.381 2.389 1.00 0.00 N ATOM 923 CA ARG A 64 -8.931 -4.383 1.556 1.00 0.00 C ATOM 924 C ARG A 64 -8.123 -3.409 2.408 1.00 0.00 C ATOM 925 O ARG A 64 -8.607 -2.911 3.425 1.00 0.00 O ATOM 926 CB ARG A 64 -9.962 -3.618 0.725 1.00 0.00 C ATOM 927 CG ARG A 64 -10.969 -2.850 1.564 1.00 0.00 C ATOM 928 CD ARG A 64 -12.136 -3.732 1.982 1.00 0.00 C ATOM 929 NE ARG A 64 -12.786 -3.244 3.195 1.00 0.00 N ATOM 930 CZ ARG A 64 -13.489 -4.016 4.014 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.632 -5.308 3.752 1.00 0.00 N ATOM 932 NH2 ARG A 64 -14.050 -3.498 5.100 1.00 0.00 N ATOM 0 H ARG A 64 -9.931 -5.025 3.282 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.248 -4.903 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.442 -2.921 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.495 -4.321 0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.476 -2.452 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.341 -1.997 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.865 -3.775 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.781 -4.749 2.146 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.695 -2.255 3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.201 -5.710 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.173 -5.900 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.941 -2.505 5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.590 -4.093 5.728 1.00 0.00 H new ATOM 946 N LEU A 65 -6.891 -3.142 1.989 1.00 0.00 N ATOM 947 CA LEU A 65 -6.018 -2.227 2.714 1.00 0.00 C ATOM 948 C LEU A 65 -4.759 -1.923 1.908 1.00 0.00 C ATOM 949 O LEU A 65 -4.493 -2.559 0.889 1.00 0.00 O ATOM 950 CB LEU A 65 -5.637 -2.822 4.072 1.00 0.00 C ATOM 951 CG LEU A 65 -5.075 -4.242 4.021 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.145 -5.226 3.572 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.870 -4.305 3.095 1.00 0.00 C ATOM 0 H LEU A 65 -6.474 -3.547 1.150 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.560 -1.295 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.899 -2.172 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.519 -2.819 4.713 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.754 -4.520 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.725 -6.231 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.979 -5.202 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.499 -4.951 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.483 -5.324 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.167 -4.006 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.095 -3.631 3.460 1.00 0.00 H new ATOM 965 N PHE A 66 -3.988 -0.946 2.372 1.00 0.00 N ATOM 966 CA PHE A 66 -2.757 -0.555 1.695 1.00 0.00 C ATOM 967 C PHE A 66 -1.596 -1.450 2.118 1.00 0.00 C ATOM 968 O PHE A 66 -1.620 -2.048 3.193 1.00 0.00 O ATOM 969 CB PHE A 66 -2.425 0.908 1.996 1.00 0.00 C ATOM 970 CG PHE A 66 -3.611 1.824 1.897 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.477 1.978 2.969 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.861 2.532 0.733 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.569 2.820 2.879 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.951 3.376 0.638 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.806 3.521 1.712 1.00 0.00 C ATOM 0 H PHE A 66 -4.194 -0.410 3.215 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.910 -0.671 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.005 0.978 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.655 1.247 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.296 1.434 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.196 2.423 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.237 2.930 3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.134 3.922 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.658 4.181 1.640 1.00 0.00 H new ATOM 985 N ALA A 67 -0.581 -1.536 1.264 1.00 0.00 N ATOM 986 CA ALA A 67 0.590 -2.355 1.550 1.00 0.00 C ATOM 987 C ALA A 67 1.862 -1.693 1.035 1.00 0.00 C ATOM 988 O ALA A 67 2.172 -1.761 -0.155 1.00 0.00 O ATOM 989 CB ALA A 67 0.427 -3.739 0.938 1.00 0.00 C ATOM 0 H ALA A 67 -0.546 -1.048 0.369 1.00 0.00 H new ATOM 0 HA ALA A 67 0.678 -2.456 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.309 -4.341 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.456 -4.221 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.311 -3.648 -0.142 1.00 0.00 H new ATOM 995 N PHE A 68 2.597 -1.051 1.937 1.00 0.00 N ATOM 996 CA PHE A 68 3.836 -0.374 1.572 1.00 0.00 C ATOM 997 C PHE A 68 5.019 -1.337 1.628 1.00 0.00 C ATOM 998 O PHE A 68 5.351 -1.869 2.687 1.00 0.00 O ATOM 999 CB PHE A 68 4.086 0.814 2.505 1.00 0.00 C ATOM 1000 CG PHE A 68 5.345 1.569 2.189 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.587 1.001 2.423 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.287 2.848 1.657 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.748 1.694 2.132 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.444 3.544 1.364 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.676 2.967 1.603 1.00 0.00 C ATOM 0 H PHE A 68 2.356 -0.985 2.926 1.00 0.00 H new ATOM 0 HA PHE A 68 3.735 -0.010 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.238 1.496 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.136 0.455 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.649 0.006 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.327 3.305 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.710 1.240 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.385 4.539 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.581 3.511 1.376 1.00 0.00 H new ATOM 1015 N VAL A 69 5.650 -1.555 0.479 1.00 0.00 N ATOM 1016 CA VAL A 69 6.796 -2.453 0.396 1.00 0.00 C ATOM 1017 C VAL A 69 8.012 -1.739 -0.187 1.00 0.00 C ATOM 1018 O VAL A 69 7.885 -0.913 -1.091 1.00 0.00 O ATOM 1019 CB VAL A 69 6.479 -3.689 -0.465 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.688 -4.610 -0.544 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.271 -4.428 0.090 1.00 0.00 C ATOM 0 H VAL A 69 5.387 -1.123 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 69 7.020 -2.776 1.413 1.00 0.00 H new ATOM 0 HB VAL A 69 6.240 -3.355 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.445 -5.478 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.525 -4.074 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.961 -4.939 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.061 -5.299 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.479 -4.751 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.406 -3.764 0.089 1.00 0.00 H new ATOM 1031 N ARG A 70 9.189 -2.065 0.337 1.00 0.00 N ATOM 1032 CA ARG A 70 10.428 -1.455 -0.131 1.00 0.00 C ATOM 1033 C ARG A 70 11.067 -2.299 -1.231 1.00 0.00 C ATOM 1034 O ARG A 70 11.212 -3.513 -1.092 1.00 0.00 O ATOM 1035 CB ARG A 70 11.409 -1.286 1.031 1.00 0.00 C ATOM 1036 CG ARG A 70 12.868 -1.341 0.610 1.00 0.00 C ATOM 1037 CD ARG A 70 13.770 -1.720 1.774 1.00 0.00 C ATOM 1038 NE ARG A 70 13.756 -3.158 2.031 1.00 0.00 N ATOM 1039 CZ ARG A 70 14.635 -4.007 1.509 1.00 0.00 C ATOM 1040 NH1 ARG A 70 15.590 -3.563 0.704 1.00 0.00 N ATOM 1041 NH2 ARG A 70 14.557 -5.301 1.790 1.00 0.00 N ATOM 0 H ARG A 70 9.311 -2.747 1.085 1.00 0.00 H new ATOM 0 HA ARG A 70 10.189 -0.474 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.217 -0.332 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.223 -2.067 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.988 -2.065 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.171 -0.371 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.790 -1.400 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.449 -1.188 2.670 1.00 0.00 H new ATOM 0 HE ARG A 70 13.032 -3.531 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.651 -2.569 0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.264 -4.216 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.822 -5.645 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.232 -5.952 1.389 1.00 0.00 H new ATOM 1239 N PHE A 83 9.973 2.411 -3.307 1.00 0.00 N ATOM 1240 CA PHE A 83 8.834 1.860 -2.581 1.00 0.00 C ATOM 1241 C PHE A 83 7.552 1.996 -3.396 1.00 0.00 C ATOM 1242 O PHE A 83 7.559 2.549 -4.496 1.00 0.00 O ATOM 1243 CB PHE A 83 8.674 2.565 -1.233 1.00 0.00 C ATOM 1244 CG PHE A 83 9.976 2.817 -0.528 1.00 0.00 C ATOM 1245 CD1 PHE A 83 10.745 3.927 -0.841 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.432 1.944 0.446 1.00 0.00 C ATOM 1247 CE1 PHE A 83 11.944 4.162 -0.195 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.630 2.174 1.096 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.387 3.283 0.774 1.00 0.00 C ATOM 0 HA PHE A 83 9.022 0.800 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.164 3.516 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.033 1.961 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.403 4.616 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.845 1.074 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.533 5.031 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.974 1.487 1.855 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.324 3.463 1.279 1.00 0.00 H new ATOM 1259 N ALA A 84 6.453 1.489 -2.848 1.00 0.00 N ATOM 1260 CA ALA A 84 5.162 1.556 -3.522 1.00 0.00 C ATOM 1261 C ALA A 84 4.035 1.115 -2.594 1.00 0.00 C ATOM 1262 O ALA A 84 4.125 0.074 -1.945 1.00 0.00 O ATOM 1263 CB ALA A 84 5.179 0.699 -4.780 1.00 0.00 C ATOM 0 H ALA A 84 6.431 1.027 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 84 4.980 2.593 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.209 0.758 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.953 1.061 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.387 -0.337 -4.512 1.00 0.00 H new ATOM 1269 N LEU A 85 2.975 1.914 -2.537 1.00 0.00 N ATOM 1270 CA LEU A 85 1.830 1.606 -1.688 1.00 0.00 C ATOM 1271 C LEU A 85 0.839 0.703 -2.417 1.00 0.00 C ATOM 1272 O LEU A 85 -0.040 1.181 -3.135 1.00 0.00 O ATOM 1273 CB LEU A 85 1.134 2.896 -1.248 1.00 0.00 C ATOM 1274 CG LEU A 85 0.341 2.791 0.055 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.269 2.507 1.225 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.453 4.066 0.299 1.00 0.00 C ATOM 0 H LEU A 85 2.885 2.780 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 85 2.194 1.078 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.886 3.677 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.459 3.216 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.360 1.961 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.686 2.436 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.793 1.566 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.995 3.315 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.012 3.974 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.230 4.913 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.147 4.226 -0.526 1.00 0.00 H new ATOM 1288 N ILE A 86 0.988 -0.603 -2.227 1.00 0.00 N ATOM 1289 CA ILE A 86 0.106 -1.572 -2.865 1.00 0.00 C ATOM 1290 C ILE A 86 -1.275 -1.568 -2.219 1.00 0.00 C ATOM 1291 O ILE A 86 -1.480 -2.163 -1.161 1.00 0.00 O ATOM 1292 CB ILE A 86 0.690 -2.997 -2.794 1.00 0.00 C ATOM 1293 CG1 ILE A 86 1.825 -3.158 -3.807 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.400 -4.028 -3.041 1.00 0.00 C ATOM 1295 CD1 ILE A 86 2.900 -4.123 -3.362 1.00 0.00 C ATOM 0 H ILE A 86 1.711 -1.015 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 86 0.016 -1.276 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 86 1.096 -3.159 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.409 -3.502 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.277 -2.183 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.027 -5.029 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.177 -3.924 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.833 -3.870 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.672 -4.187 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.343 -3.770 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.462 -5.109 -3.205 1.00 0.00 H new ATOM 1307 N THR A 87 -2.221 -0.893 -2.865 1.00 0.00 N ATOM 1308 CA THR A 87 -3.584 -0.811 -2.355 1.00 0.00 C ATOM 1309 C THR A 87 -4.380 -2.063 -2.708 1.00 0.00 C ATOM 1310 O THR A 87 -4.867 -2.203 -3.830 1.00 0.00 O ATOM 1311 CB THR A 87 -4.319 0.424 -2.910 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.732 1.620 -2.381 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.797 0.378 -2.556 1.00 0.00 C ATOM 0 H THR A 87 -2.068 -0.395 -3.742 1.00 0.00 H new ATOM 0 HA THR A 87 -3.510 -0.724 -1.271 1.00 0.00 H new ATOM 0 HB THR A 87 -4.223 0.421 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.151 1.838 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.295 1.260 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.246 -0.519 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.911 0.360 -1.472 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.509 -2.968 -1.744 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.247 -4.208 -1.956 1.00 0.00 C ATOM 1323 C TRP A 88 -6.741 -3.996 -1.735 1.00 0.00 C ATOM 1324 O TRP A 88 -7.147 -3.272 -0.825 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.730 -5.299 -1.017 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.580 -6.533 -1.015 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.334 -7.007 0.021 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.761 -7.451 -2.099 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.973 -8.164 -0.355 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.639 -8.457 -1.651 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.268 -7.520 -3.404 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.031 -9.518 -2.463 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.659 -8.574 -4.209 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.535 -9.560 -3.736 1.00 0.00 C ATOM 0 H TRP A 88 -4.113 -2.867 -0.810 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.092 -4.523 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.714 -5.567 -1.307 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.677 -4.901 -0.004 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.416 -6.541 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.595 -8.716 0.235 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.594 -6.764 -3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.703 -10.281 -2.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.283 -8.638 -5.219 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.824 -10.369 -4.390 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.554 -4.633 -2.570 1.00 0.00 N ATOM 1346 CA ILE A 89 -9.003 -4.514 -2.464 1.00 0.00 C ATOM 1347 C ILE A 89 -9.694 -5.801 -2.906 1.00 0.00 C ATOM 1348 O ILE A 89 -9.860 -6.050 -4.099 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.535 -3.343 -3.309 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.877 -2.031 -2.875 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -11.049 -3.248 -3.189 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -9.091 -0.896 -3.851 1.00 0.00 C ATOM 0 H ILE A 89 -7.234 -5.237 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.228 -4.325 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.284 -3.525 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.271 -1.741 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.807 -2.195 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.410 -2.415 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.501 -4.175 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.322 -3.086 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.597 0.002 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.672 -1.166 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.159 -0.705 -3.958 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.096 -6.614 -1.935 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.766 -7.864 -2.243 1.00 0.00 C ATOM 1366 C GLY A 90 -11.659 -7.757 -3.462 1.00 0.00 C ATOM 1367 O GLY A 90 -12.509 -6.870 -3.541 1.00 0.00 O ATOM 0 H GLY A 90 -9.970 -6.430 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.020 -8.641 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.363 -8.174 -1.385 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.467 -8.662 -4.417 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.261 -8.663 -5.640 1.00 0.00 C ATOM 1373 C GLU A 91 -13.707 -9.056 -5.348 1.00 0.00 C ATOM 1374 O GLU A 91 -14.549 -9.078 -6.247 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.657 -9.623 -6.667 1.00 0.00 C ATOM 1376 CG GLU A 91 -12.134 -11.057 -6.514 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.534 -11.746 -5.304 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -10.561 -11.208 -4.736 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -12.037 -12.825 -4.926 1.00 0.00 O ATOM 0 H GLU A 91 -10.769 -9.404 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.252 -7.653 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.904 -9.272 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.571 -9.599 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.221 -11.067 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.877 -11.619 -7.412 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.986 -9.368 -4.088 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.330 -9.760 -3.677 1.00 0.00 C ATOM 1388 C ASP A 92 -15.992 -8.657 -2.858 1.00 0.00 C ATOM 1389 O ASP A 92 -17.218 -8.555 -2.810 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.280 -11.056 -2.865 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.588 -11.820 -2.913 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.006 -12.212 -4.022 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -17.196 -12.025 -1.841 1.00 0.00 O ATOM 0 H ASP A 92 -13.300 -9.357 -3.333 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.924 -9.926 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.479 -11.689 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.037 -10.823 -1.828 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.172 -7.833 -2.213 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.678 -6.738 -1.395 1.00 0.00 C ATOM 1400 C VAL A 93 -16.695 -5.902 -2.164 1.00 0.00 C ATOM 1401 O VAL A 93 -16.599 -5.753 -3.382 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.536 -5.821 -0.915 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.464 -6.632 -0.202 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.943 -5.052 -2.086 1.00 0.00 C ATOM 0 H VAL A 93 -14.155 -7.903 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.162 -7.188 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.945 -5.101 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.666 -5.968 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.901 -7.134 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.056 -7.376 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.138 -4.409 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.548 -5.754 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.717 -4.440 -2.549 1.00 0.00 H new ATOM 1414 N SER A 94 -17.670 -5.357 -1.443 1.00 0.00 N ATOM 1415 CA SER A 94 -18.709 -4.538 -2.058 1.00 0.00 C ATOM 1416 C SER A 94 -18.109 -3.289 -2.698 1.00 0.00 C ATOM 1417 O SER A 94 -17.326 -2.575 -2.073 1.00 0.00 O ATOM 1418 CB SER A 94 -19.756 -4.140 -1.017 1.00 0.00 C ATOM 1419 OG SER A 94 -20.704 -5.175 -0.825 1.00 0.00 O ATOM 0 H SER A 94 -17.762 -5.468 -0.433 1.00 0.00 H new ATOM 0 HA SER A 94 -19.189 -5.129 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.265 -3.913 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.265 -3.231 -1.338 1.00 0.00 H new ATOM 0 HG SER A 94 -21.361 -4.896 -0.154 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.484 -3.034 -3.947 1.00 0.00 N ATOM 1426 CA GLY A 95 -17.973 -1.872 -4.652 1.00 0.00 C ATOM 1427 C GLY A 95 -17.728 -0.696 -3.728 1.00 0.00 C ATOM 1428 O GLY A 95 -16.667 -0.075 -3.769 1.00 0.00 O ATOM 0 H GLY A 95 -19.132 -3.610 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.042 -2.136 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.682 -1.580 -5.427 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.715 -0.386 -2.892 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.602 0.726 -1.955 1.00 0.00 C ATOM 1434 C LEU A 96 -17.190 0.819 -1.388 1.00 0.00 C ATOM 1435 O LEU A 96 -16.471 1.785 -1.642 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.612 0.564 -0.817 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.978 1.857 -0.087 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -18.744 2.481 0.544 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -20.643 2.837 -1.043 1.00 0.00 C ATOM 0 H LEU A 96 -19.601 -0.889 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.817 1.648 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.523 0.122 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.209 -0.143 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.685 1.617 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.024 3.400 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.308 1.783 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.014 2.708 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.897 3.752 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.958 3.072 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -21.551 2.390 -1.449 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.800 -0.193 -0.619 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.473 -0.225 -0.016 1.00 0.00 C ATOM 1453 C GLN A 97 -14.403 0.159 -1.031 1.00 0.00 C ATOM 1454 O GLN A 97 -13.481 0.916 -0.721 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.180 -1.616 0.550 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.621 -1.791 1.994 1.00 0.00 C ATOM 1457 CD GLN A 97 -15.311 -0.579 2.850 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -16.214 0.083 3.362 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -14.026 -0.280 3.010 1.00 0.00 N ATOM 0 H GLN A 97 -17.383 -1.000 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.454 0.502 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.680 -2.363 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.110 -1.810 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -16.693 -1.986 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.127 -2.666 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.310 -0.856 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.756 0.525 3.575 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.529 -0.367 -2.245 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.572 -0.080 -3.306 1.00 0.00 C ATOM 1470 C ARG A 98 -13.630 1.391 -3.708 1.00 0.00 C ATOM 1471 O ARG A 98 -12.630 1.970 -4.130 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.848 -0.963 -4.524 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.774 -0.876 -5.597 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.087 0.214 -6.610 1.00 0.00 C ATOM 1475 NE ARG A 98 -11.875 0.779 -7.197 1.00 0.00 N ATOM 1476 CZ ARG A 98 -11.839 1.357 -8.393 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -12.943 1.447 -9.123 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -10.698 1.847 -8.860 1.00 0.00 N ATOM 0 H ARG A 98 -15.285 -0.995 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.573 -0.297 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.940 -1.999 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.807 -0.679 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.809 -0.676 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.689 -1.835 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.716 -0.195 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.659 1.006 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.009 0.727 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.822 1.072 -8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.913 1.891 -10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.847 1.780 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.671 2.290 -9.778 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.809 1.989 -3.574 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.998 3.392 -3.921 1.00 0.00 C ATOM 1494 C ALA A 99 -14.440 4.307 -2.836 1.00 0.00 C ATOM 1495 O ALA A 99 -14.179 5.486 -3.076 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.472 3.685 -4.154 1.00 0.00 C ATOM 0 H ALA A 99 -15.648 1.524 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.450 3.589 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.598 4.736 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.842 3.064 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.035 3.465 -3.247 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.260 3.755 -1.640 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.732 4.521 -0.516 1.00 0.00 C ATOM 1504 C LYS A 100 -12.236 4.278 -0.348 1.00 0.00 C ATOM 1505 O LYS A 100 -11.435 5.212 -0.398 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.469 4.146 0.772 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.957 4.447 0.732 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.223 5.944 0.703 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.397 6.504 2.106 1.00 0.00 C ATOM 1510 NZ LYS A 100 -16.992 7.870 2.087 1.00 0.00 N ATOM 0 H LYS A 100 -14.472 2.781 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.889 5.580 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.327 3.083 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.020 4.684 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.400 3.981 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.442 4.007 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -15.396 6.452 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.119 6.145 0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.035 5.838 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.430 6.536 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.095 8.217 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.371 8.512 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.926 7.835 1.632 1.00 0.00 H new ATOM 1524 N THR A 101 -11.864 3.017 -0.150 1.00 0.00 N ATOM 1525 CA THR A 101 -10.464 2.652 0.026 1.00 0.00 C ATOM 1526 C THR A 101 -9.558 3.509 -0.852 1.00 0.00 C ATOM 1527 O THR A 101 -8.488 3.939 -0.424 1.00 0.00 O ATOM 1528 CB THR A 101 -10.225 1.167 -0.305 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.106 0.345 0.469 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.782 0.776 -0.024 1.00 0.00 C ATOM 0 H THR A 101 -12.513 2.231 -0.108 1.00 0.00 H new ATOM 0 HA THR A 101 -10.221 2.827 1.074 1.00 0.00 H new ATOM 0 HB THR A 101 -10.426 1.017 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.003 0.366 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.637 -0.277 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.115 1.384 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.559 0.941 1.030 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.995 3.753 -2.084 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.211 4.559 -3.003 1.00 0.00 C ATOM 1540 C GLY A 102 -9.197 6.026 -2.620 1.00 0.00 C ATOM 1541 O GLY A 102 -8.179 6.703 -2.764 1.00 0.00 O ATOM 0 H GLY A 102 -10.877 3.407 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.188 4.184 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.615 4.453 -4.010 1.00 0.00 H new ATOM 1545 N THR A 103 -10.331 6.520 -2.133 1.00 0.00 N ATOM 1546 CA THR A 103 -10.446 7.917 -1.732 1.00 0.00 C ATOM 1547 C THR A 103 -9.668 8.186 -0.450 1.00 0.00 C ATOM 1548 O THR A 103 -9.070 9.250 -0.288 1.00 0.00 O ATOM 1549 CB THR A 103 -11.917 8.321 -1.521 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.629 8.244 -2.761 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.015 9.731 -0.960 1.00 0.00 C ATOM 0 H THR A 103 -11.183 5.973 -2.007 1.00 0.00 H new ATOM 0 HA THR A 103 -10.025 8.514 -2.541 1.00 0.00 H new ATOM 0 HB THR A 103 -12.362 7.630 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.077 7.375 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.063 9.995 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.497 9.778 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.555 10.432 -1.656 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.678 7.217 0.459 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.971 7.349 1.726 1.00 0.00 C ATOM 1561 C ASP A 104 -7.466 7.202 1.528 1.00 0.00 C ATOM 1562 O ASP A 104 -6.685 7.369 2.465 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.470 6.304 2.725 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.983 6.261 2.811 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.561 7.103 3.530 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.589 5.387 2.157 1.00 0.00 O ATOM 0 H ASP A 104 -10.169 6.331 0.341 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.172 8.344 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.097 5.322 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.059 6.523 3.711 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.065 6.888 0.300 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.653 6.718 -0.023 1.00 0.00 C ATOM 1573 C LYS A 105 -4.878 8.007 0.229 1.00 0.00 C ATOM 1574 O LYS A 105 -3.733 7.977 0.683 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.491 6.290 -1.483 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.062 6.377 -1.989 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.751 7.756 -2.548 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.132 7.860 -4.016 1.00 0.00 C ATOM 1579 NZ LYS A 105 -3.493 9.034 -4.674 1.00 0.00 N ATOM 0 H LYS A 105 -7.698 6.746 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.249 5.940 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.844 5.265 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.127 6.916 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.373 6.149 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.902 5.626 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.290 8.512 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.688 7.966 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.835 6.948 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.215 7.939 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.778 9.069 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.796 9.907 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.459 8.946 -4.612 1.00 0.00 H new ATOM 1593 N THR A 106 -5.509 9.139 -0.066 1.00 0.00 N ATOM 1594 CA THR A 106 -4.879 10.438 0.129 1.00 0.00 C ATOM 1595 C THR A 106 -4.367 10.593 1.557 1.00 0.00 C ATOM 1596 O THR A 106 -3.442 11.362 1.816 1.00 0.00 O ATOM 1597 CB THR A 106 -5.856 11.589 -0.181 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.371 11.449 -1.509 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.166 12.937 -0.038 1.00 0.00 C ATOM 0 H THR A 106 -6.457 9.182 -0.441 1.00 0.00 H new ATOM 0 HA THR A 106 -4.038 10.488 -0.563 1.00 0.00 H new ATOM 0 HB THR A 106 -6.678 11.542 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.992 12.183 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.875 13.734 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.800 13.052 0.982 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.327 12.992 -0.732 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.975 9.856 2.481 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.579 9.910 3.884 1.00 0.00 C ATOM 1609 C LEU A 107 -3.305 9.108 4.122 1.00 0.00 C ATOM 1610 O LEU A 107 -2.352 9.600 4.729 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.705 9.376 4.773 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.117 9.765 4.333 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.113 9.513 5.454 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.157 11.222 3.900 1.00 0.00 C ATOM 0 H LEU A 107 -5.743 9.215 2.284 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.384 10.951 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.637 8.289 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.546 9.735 5.790 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.396 9.145 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.112 9.796 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.104 8.456 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.838 10.107 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.169 11.482 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.858 11.858 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.472 11.372 3.065 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.291 7.870 3.639 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.133 6.999 3.796 1.00 0.00 C ATOM 1628 C VAL A 108 -0.918 7.565 3.070 1.00 0.00 C ATOM 1629 O VAL A 108 0.223 7.343 3.478 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.420 5.582 3.269 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.199 4.691 3.440 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.629 4.986 3.975 1.00 0.00 C ATOM 0 H VAL A 108 -4.070 7.447 3.135 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.921 6.944 4.864 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.645 5.648 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.421 3.693 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.361 5.112 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.939 4.629 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.818 3.984 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.435 4.933 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.502 5.614 3.795 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.169 8.296 1.990 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.096 8.895 1.204 1.00 0.00 C ATOM 1644 C LYS A 109 0.614 9.987 1.998 1.00 0.00 C ATOM 1645 O LYS A 109 1.839 10.103 1.953 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.652 9.477 -0.097 1.00 0.00 C ATOM 1647 CG LYS A 109 0.370 10.266 -0.896 1.00 0.00 C ATOM 1648 CD LYS A 109 0.374 11.734 -0.503 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.891 12.439 -0.970 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.720 13.049 -2.317 1.00 0.00 N ATOM 0 H LYS A 109 -2.107 8.488 1.638 1.00 0.00 H new ATOM 0 HA LYS A 109 0.626 8.114 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.035 8.664 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.497 10.125 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.362 9.843 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.151 10.174 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.462 11.822 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.246 12.225 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.715 11.726 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.161 13.213 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.603 13.520 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.050 13.747 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.487 12.307 -3.007 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.162 10.783 2.727 1.00 0.00 N ATOM 1665 CA GLU A 110 0.396 11.865 3.531 1.00 0.00 C ATOM 1666 C GLU A 110 1.713 11.441 4.175 1.00 0.00 C ATOM 1667 O GLU A 110 2.667 12.217 4.229 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.599 12.290 4.614 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.009 12.511 4.091 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.058 13.505 2.947 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.346 13.291 1.944 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.809 14.497 3.055 1.00 0.00 O ATOM 0 H GLU A 110 -1.177 10.699 2.778 1.00 0.00 H new ATOM 0 HA GLU A 110 0.589 12.711 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.624 11.527 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.245 13.209 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.422 11.559 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.642 12.867 4.904 1.00 0.00 H new ATOM 1679 N VAL A 111 1.757 10.204 4.661 1.00 0.00 N ATOM 1680 CA VAL A 111 2.956 9.676 5.300 1.00 0.00 C ATOM 1681 C VAL A 111 3.899 9.058 4.273 1.00 0.00 C ATOM 1682 O VAL A 111 5.115 9.038 4.464 1.00 0.00 O ATOM 1683 CB VAL A 111 2.606 8.618 6.363 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.868 8.101 7.038 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.641 9.193 7.388 1.00 0.00 C ATOM 0 H VAL A 111 0.976 9.549 4.624 1.00 0.00 H new ATOM 0 HA VAL A 111 3.453 10.516 5.785 1.00 0.00 H new ATOM 0 HB VAL A 111 2.118 7.778 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.601 7.354 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.521 7.649 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.387 8.929 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.404 8.432 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.101 10.050 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.725 9.509 6.888 1.00 0.00 H new ATOM 1695 N VAL A 112 3.330 8.553 3.183 1.00 0.00 N ATOM 1696 CA VAL A 112 4.119 7.935 2.125 1.00 0.00 C ATOM 1697 C VAL A 112 4.285 8.880 0.940 1.00 0.00 C ATOM 1698 O VAL A 112 3.388 9.011 0.109 1.00 0.00 O ATOM 1699 CB VAL A 112 3.473 6.625 1.637 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.213 6.086 0.421 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.448 5.594 2.756 1.00 0.00 C ATOM 0 H VAL A 112 2.325 8.560 3.010 1.00 0.00 H new ATOM 0 HA VAL A 112 5.099 7.713 2.548 1.00 0.00 H new ATOM 0 HB VAL A 112 2.444 6.834 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.743 5.160 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.174 6.820 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.252 5.891 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 112 2.988 4.675 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.467 5.386 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.871 5.982 3.595 1.00 0.00 H new ATOM 1711 N GLN A 113 5.439 9.535 0.871 1.00 0.00 N ATOM 1712 CA GLN A 113 5.723 10.468 -0.213 1.00 0.00 C ATOM 1713 C GLN A 113 6.996 10.072 -0.954 1.00 0.00 C ATOM 1714 O GLN A 113 7.088 10.218 -2.171 1.00 0.00 O ATOM 1715 CB GLN A 113 5.857 11.891 0.332 1.00 0.00 C ATOM 1716 CG GLN A 113 4.900 12.199 1.472 1.00 0.00 C ATOM 1717 CD GLN A 113 4.656 13.685 1.645 1.00 0.00 C ATOM 1718 OE1 GLN A 113 5.579 14.492 1.548 1.00 0.00 O ATOM 1719 NE2 GLN A 113 3.406 14.054 1.904 1.00 0.00 N ATOM 0 H GLN A 113 6.192 9.437 1.552 1.00 0.00 H new ATOM 0 HA GLN A 113 4.890 10.433 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.880 12.044 0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.684 12.599 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.950 11.698 1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 113 5.302 11.791 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.671 13.350 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 113 3.181 15.041 2.031 1.00 0.00 H new ATOM 1728 N ASN A 114 7.976 9.573 -0.208 1.00 0.00 N ATOM 1729 CA ASN A 114 9.246 9.157 -0.794 1.00 0.00 C ATOM 1730 C ASN A 114 9.042 7.999 -1.767 1.00 0.00 C ATOM 1731 O ASN A 114 9.798 7.840 -2.726 1.00 0.00 O ATOM 1732 CB ASN A 114 10.229 8.749 0.305 1.00 0.00 C ATOM 1733 CG ASN A 114 11.069 9.914 0.790 1.00 0.00 C ATOM 1734 OD1 ASN A 114 10.563 11.018 0.987 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.360 9.671 0.986 1.00 0.00 N ATOM 0 H ASN A 114 7.916 9.447 0.802 1.00 0.00 H new ATOM 0 HA ASN A 114 9.659 10.002 -1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.676 8.328 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.885 7.963 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 114 12.975 10.416 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.736 8.739 0.809 1.00 0.00 H new ATOM 1742 N PHE A 115 8.017 7.193 -1.512 1.00 0.00 N ATOM 1743 CA PHE A 115 7.714 6.049 -2.364 1.00 0.00 C ATOM 1744 C PHE A 115 7.607 6.473 -3.825 1.00 0.00 C ATOM 1745 O PHE A 115 7.919 7.609 -4.178 1.00 0.00 O ATOM 1746 CB PHE A 115 6.410 5.384 -1.917 1.00 0.00 C ATOM 1747 CG PHE A 115 5.195 5.915 -2.622 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.143 7.233 -3.045 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.103 5.096 -2.859 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.026 7.725 -3.694 1.00 0.00 C ATOM 1751 CE2 PHE A 115 2.983 5.582 -3.508 1.00 0.00 C ATOM 1752 CZ PHE A 115 2.944 6.899 -3.925 1.00 0.00 C ATOM 0 H PHE A 115 7.382 7.311 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 115 8.530 5.332 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.481 4.310 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.288 5.526 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.986 7.884 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.127 4.067 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.000 8.754 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.139 4.933 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.069 7.281 -4.430 1.00 0.00 H new ATOM 1762 N ALA A 116 7.163 5.549 -4.673 1.00 0.00 N ATOM 1763 CA ALA A 116 7.014 5.826 -6.096 1.00 0.00 C ATOM 1764 C ALA A 116 5.561 6.134 -6.445 1.00 0.00 C ATOM 1765 O ALA A 116 5.230 7.255 -6.833 1.00 0.00 O ATOM 1766 CB ALA A 116 7.519 4.650 -6.918 1.00 0.00 C ATOM 0 H ALA A 116 6.901 4.602 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 116 7.612 6.705 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.402 4.871 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.572 4.478 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.945 3.758 -6.667 1.00 0.00 H new ATOM 1772 N LYS A 117 4.699 5.134 -6.304 1.00 0.00 N ATOM 1773 CA LYS A 117 3.282 5.297 -6.605 1.00 0.00 C ATOM 1774 C LYS A 117 2.456 4.197 -5.946 1.00 0.00 C ATOM 1775 O LYS A 117 2.992 3.169 -5.532 1.00 0.00 O ATOM 1776 CB LYS A 117 3.054 5.283 -8.117 1.00 0.00 C ATOM 1777 CG LYS A 117 1.719 4.684 -8.526 1.00 0.00 C ATOM 1778 CD LYS A 117 1.682 4.367 -10.013 1.00 0.00 C ATOM 1779 CE LYS A 117 0.334 3.798 -10.428 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.145 3.841 -11.904 1.00 0.00 N ATOM 0 H LYS A 117 4.957 4.201 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 117 2.961 6.259 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.116 6.304 -8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.857 4.719 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.537 3.774 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.917 5.380 -8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.887 5.272 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.469 3.653 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.252 2.768 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.463 4.362 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.785 3.444 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.198 4.826 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.891 3.282 -12.366 1.00 0.00 H new ATOM 1794 N GLU A 118 1.148 4.420 -5.852 1.00 0.00 N ATOM 1795 CA GLU A 118 0.249 3.446 -5.243 1.00 0.00 C ATOM 1796 C GLU A 118 -0.153 2.373 -6.251 1.00 0.00 C ATOM 1797 O GLU A 118 -0.488 2.676 -7.398 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.999 4.142 -4.698 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.795 4.884 -5.758 1.00 0.00 C ATOM 1800 CD GLU A 118 -3.284 4.886 -5.475 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.707 4.197 -4.522 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -4.028 5.575 -6.204 1.00 0.00 O ATOM 0 H GLU A 118 0.688 5.266 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 118 0.778 2.967 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.642 3.399 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.702 4.846 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.440 5.913 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.614 4.425 -6.730 1.00 0.00 H new ATOM 1809 N PHE A 119 -0.118 1.118 -5.816 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.477 -0.001 -6.680 1.00 0.00 C ATOM 1811 C PHE A 119 -1.805 -0.616 -6.249 1.00 0.00 C ATOM 1812 O PHE A 119 -1.861 -1.399 -5.300 1.00 0.00 O ATOM 1813 CB PHE A 119 0.622 -1.065 -6.656 1.00 0.00 C ATOM 1814 CG PHE A 119 1.808 -0.722 -7.511 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.285 0.578 -7.567 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.447 -1.699 -8.258 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.375 0.897 -8.355 1.00 0.00 C ATOM 1818 CE2 PHE A 119 3.538 -1.386 -9.046 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.004 -0.086 -9.094 1.00 0.00 C ATOM 0 H PHE A 119 0.155 0.850 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.584 0.377 -7.697 1.00 0.00 H new ATOM 0 HB2 PHE A 119 0.955 -1.209 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.205 -2.014 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.800 1.350 -6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.088 -2.717 -8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.735 1.915 -8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.026 -2.157 -9.624 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.858 0.161 -9.708 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.873 -0.255 -6.952 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.202 -0.770 -6.644 1.00 0.00 C ATOM 1831 C VAL A 120 -4.411 -2.152 -7.254 1.00 0.00 C ATOM 1832 O VAL A 120 -4.697 -2.279 -8.445 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.305 0.176 -7.155 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.681 -0.398 -6.861 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -5.150 1.557 -6.536 1.00 0.00 C ATOM 0 H VAL A 120 -2.844 0.393 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.269 -0.840 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.204 0.274 -8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.446 0.285 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.786 -1.363 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.799 -0.528 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.937 2.213 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.224 1.480 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.177 1.969 -6.805 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.266 -3.184 -6.430 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.440 -4.557 -6.887 1.00 0.00 C ATOM 1847 C ILE A 121 -5.648 -5.209 -6.224 1.00 0.00 C ATOM 1848 O ILE A 121 -5.919 -4.982 -5.044 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.188 -5.409 -6.601 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.931 -4.685 -7.086 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.312 -6.771 -7.268 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.661 -5.166 -6.417 1.00 0.00 C ATOM 0 H ILE A 121 -4.028 -3.095 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.601 -4.513 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.106 -5.559 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.837 -4.818 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.045 -3.616 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.421 -7.362 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.190 -7.288 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.415 -6.641 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.190 -4.609 -6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.734 -5.007 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.523 -6.228 -6.619 1.00 0.00 H new ATOM 1864 N SER A 122 -6.369 -6.022 -6.989 1.00 0.00 N ATOM 1865 CA SER A 122 -7.550 -6.707 -6.476 1.00 0.00 C ATOM 1866 C SER A 122 -7.371 -8.220 -6.538 1.00 0.00 C ATOM 1867 O SER A 122 -8.093 -8.969 -5.881 1.00 0.00 O ATOM 1868 CB SER A 122 -8.791 -6.295 -7.271 1.00 0.00 C ATOM 1869 OG SER A 122 -8.683 -4.958 -7.728 1.00 0.00 O ATOM 0 H SER A 122 -6.156 -6.223 -7.966 1.00 0.00 H new ATOM 0 HA SER A 122 -7.683 -6.417 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.920 -6.964 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.678 -6.399 -6.646 1.00 0.00 H new ATOM 0 HG SER A 122 -9.487 -4.719 -8.234 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.403 -8.662 -7.333 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.127 -10.087 -7.483 1.00 0.00 C ATOM 1877 C ASP A 123 -4.734 -10.428 -6.961 1.00 0.00 C ATOM 1878 O ASP A 123 -3.741 -9.831 -7.379 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.251 -10.501 -8.950 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.696 -11.942 -9.108 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.758 -12.299 -8.557 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -5.983 -12.711 -9.784 1.00 0.00 O ATOM 0 H ASP A 123 -5.796 -8.055 -7.884 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.861 -10.638 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.964 -9.846 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.290 -10.364 -9.446 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.670 -11.389 -6.045 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.399 -11.807 -5.466 1.00 0.00 C ATOM 1889 C ARG A 124 -2.384 -12.132 -6.557 1.00 0.00 C ATOM 1890 O ARG A 124 -1.192 -11.856 -6.414 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.603 -13.026 -4.564 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.421 -12.733 -3.318 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.119 -13.726 -2.207 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.725 -15.031 -2.460 1.00 0.00 N ATOM 1895 CZ ARG A 124 -5.042 -15.892 -1.500 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -4.812 -15.590 -0.230 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.590 -17.060 -1.810 1.00 0.00 N ATOM 0 H ARG A 124 -5.482 -11.892 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.011 -10.982 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.097 -13.812 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.629 -13.413 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.208 -11.722 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.483 -12.770 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.040 -13.841 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.487 -13.333 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.915 -15.295 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.390 -14.694 0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.057 -16.254 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.768 -17.297 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.833 -17.721 -1.072 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.863 -12.718 -7.648 1.00 0.00 N ATOM 1912 CA LYS A 125 -1.999 -13.079 -8.765 1.00 0.00 C ATOM 1913 C LYS A 125 -1.159 -11.888 -9.212 1.00 0.00 C ATOM 1914 O LYS A 125 -0.166 -12.048 -9.921 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.836 -13.595 -9.939 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.081 -15.093 -9.900 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.865 -15.869 -10.375 1.00 0.00 C ATOM 1918 CE LYS A 125 -1.713 -15.797 -11.887 1.00 0.00 C ATOM 1919 NZ LYS A 125 -2.693 -16.674 -12.585 1.00 0.00 N ATOM 0 H LYS A 125 -3.846 -12.953 -7.783 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.327 -13.869 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.796 -13.079 -9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.333 -13.342 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.332 -15.395 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.938 -15.339 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.969 -15.471 -9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.954 -16.911 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.848 -14.767 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.701 -16.091 -12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.482 -16.689 -13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.628 -17.639 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.655 -16.307 -12.437 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.563 -10.694 -8.790 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.844 -9.475 -9.146 1.00 0.00 C ATOM 1935 C GLU A 126 -0.005 -8.975 -7.974 1.00 0.00 C ATOM 1936 O GLU A 126 0.914 -8.176 -8.150 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.828 -8.387 -9.585 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.365 -8.584 -10.992 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.731 -7.275 -11.664 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -3.482 -6.486 -11.055 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -2.267 -7.042 -12.800 1.00 0.00 O ATOM 0 H GLU A 126 -2.383 -10.544 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.175 -9.707 -9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.664 -8.362 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.334 -7.417 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.617 -9.100 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.244 -9.228 -10.955 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.329 -9.452 -6.777 1.00 0.00 N ATOM 1949 CA LEU A 127 0.394 -9.054 -5.574 1.00 0.00 C ATOM 1950 C LEU A 127 1.827 -9.577 -5.602 1.00 0.00 C ATOM 1951 O LEU A 127 2.670 -9.148 -4.815 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.326 -9.571 -4.327 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.449 -8.673 -3.808 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.875 -7.458 -3.095 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.357 -8.242 -4.951 1.00 0.00 C ATOM 0 H LEU A 127 -1.087 -10.114 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 127 0.425 -7.965 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.741 -10.555 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.408 -9.705 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.042 -9.242 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.689 -6.831 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.266 -7.785 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.258 -6.887 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.151 -7.603 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.775 -7.691 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.796 -9.123 -5.419 1.00 0.00 H new ATOM 1967 N GLU A 128 2.093 -10.506 -6.515 1.00 0.00 N ATOM 1968 CA GLU A 128 3.425 -11.088 -6.645 1.00 0.00 C ATOM 1969 C GLU A 128 4.490 -9.998 -6.722 1.00 0.00 C ATOM 1970 O GLU A 128 4.632 -9.327 -7.744 1.00 0.00 O ATOM 1971 CB GLU A 128 3.498 -11.977 -7.887 1.00 0.00 C ATOM 1972 CG GLU A 128 2.307 -12.909 -8.041 1.00 0.00 C ATOM 1973 CD GLU A 128 2.663 -14.197 -8.755 1.00 0.00 C ATOM 1974 OE1 GLU A 128 2.787 -14.171 -9.998 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.815 -15.232 -8.074 1.00 0.00 O ATOM 0 H GLU A 128 1.406 -10.871 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 128 3.616 -11.696 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.570 -11.345 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.411 -12.572 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.904 -13.144 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.519 -12.397 -8.594 1.00 0.00 H new ATOM 1982 N GLU A 129 5.235 -9.828 -5.634 1.00 0.00 N ATOM 1983 CA GLU A 129 6.286 -8.819 -5.579 1.00 0.00 C ATOM 1984 C GLU A 129 7.041 -8.748 -6.903 1.00 0.00 C ATOM 1985 O GLU A 129 7.492 -7.679 -7.317 1.00 0.00 O ATOM 1986 CB GLU A 129 7.260 -9.126 -4.440 1.00 0.00 C ATOM 1987 CG GLU A 129 8.468 -8.205 -4.406 1.00 0.00 C ATOM 1988 CD GLU A 129 9.536 -8.680 -3.441 1.00 0.00 C ATOM 1989 OE1 GLU A 129 10.087 -9.779 -3.660 1.00 0.00 O ATOM 1990 OE2 GLU A 129 9.822 -7.952 -2.467 1.00 0.00 O ATOM 0 H GLU A 129 5.130 -10.375 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 129 5.817 -7.852 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.730 -9.051 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.602 -10.157 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.894 -8.133 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.148 -7.202 -4.123 1.00 0.00 H new ATOM 1997 N ASP A 130 7.177 -9.893 -7.563 1.00 0.00 N ATOM 1998 CA ASP A 130 7.877 -9.961 -8.841 1.00 0.00 C ATOM 1999 C ASP A 130 7.240 -9.021 -9.861 1.00 0.00 C ATOM 2000 O ASP A 130 7.936 -8.303 -10.577 1.00 0.00 O ATOM 2001 CB ASP A 130 7.869 -11.394 -9.374 1.00 0.00 C ATOM 2002 CG ASP A 130 8.546 -12.367 -8.430 1.00 0.00 C ATOM 2003 OD1 ASP A 130 9.389 -11.922 -7.622 1.00 0.00 O ATOM 2004 OD2 ASP A 130 8.233 -13.574 -8.496 1.00 0.00 O ATOM 0 H ASP A 130 6.812 -10.787 -7.234 1.00 0.00 H new ATOM 0 HA ASP A 130 8.908 -9.647 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.839 -11.711 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.371 -11.422 -10.341 1.00 0.00 H new ATOM 2009 N PHE A 131 5.912 -9.034 -9.921 1.00 0.00 N ATOM 2010 CA PHE A 131 5.181 -8.185 -10.854 1.00 0.00 C ATOM 2011 C PHE A 131 5.336 -6.713 -10.486 1.00 0.00 C ATOM 2012 O PHE A 131 5.431 -5.851 -11.359 1.00 0.00 O ATOM 2013 CB PHE A 131 3.700 -8.566 -10.870 1.00 0.00 C ATOM 2014 CG PHE A 131 2.846 -7.620 -11.664 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.141 -7.346 -12.990 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.748 -7.005 -11.085 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.358 -6.474 -13.722 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.960 -6.133 -11.813 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.265 -5.868 -13.133 1.00 0.00 C ATOM 0 H PHE A 131 5.321 -9.623 -9.335 1.00 0.00 H new ATOM 0 HA PHE A 131 5.599 -8.338 -11.849 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.596 -9.570 -11.282 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.331 -8.602 -9.845 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.992 -7.819 -13.456 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.505 -7.209 -10.053 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.600 -6.266 -14.754 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.107 -5.660 -11.350 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.650 -5.188 -13.704 1.00 0.00 H new ATOM 2029 N ILE A 132 5.359 -6.434 -9.187 1.00 0.00 N ATOM 2030 CA ILE A 132 5.502 -5.066 -8.703 1.00 0.00 C ATOM 2031 C ILE A 132 6.801 -4.441 -9.199 1.00 0.00 C ATOM 2032 O ILE A 132 6.802 -3.336 -9.742 1.00 0.00 O ATOM 2033 CB ILE A 132 5.473 -5.008 -7.164 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.283 -5.805 -6.625 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.411 -3.564 -6.689 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.945 -5.305 -7.126 1.00 0.00 C ATOM 0 H ILE A 132 5.281 -7.136 -8.451 1.00 0.00 H new ATOM 0 HA ILE A 132 4.656 -4.502 -9.096 1.00 0.00 H new ATOM 0 HB ILE A 132 6.390 -5.456 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.399 -6.852 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.292 -5.765 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.391 -3.540 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.288 -3.025 -7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.510 -3.091 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.147 -5.916 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.807 -4.267 -6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.916 -5.371 -8.214 1.00 0.00 H new ATOM 2048 N ARG A 133 7.905 -5.155 -9.011 1.00 0.00 N ATOM 2049 CA ARG A 133 9.212 -4.670 -9.440 1.00 0.00 C ATOM 2050 C ARG A 133 9.168 -4.203 -10.892 1.00 0.00 C ATOM 2051 O ARG A 133 9.465 -3.047 -11.192 1.00 0.00 O ATOM 2052 CB ARG A 133 10.266 -5.767 -9.277 1.00 0.00 C ATOM 2053 CG ARG A 133 10.873 -5.826 -7.886 1.00 0.00 C ATOM 2054 CD ARG A 133 10.081 -6.745 -6.969 1.00 0.00 C ATOM 2055 NE ARG A 133 10.894 -7.254 -5.868 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.751 -8.260 -5.990 1.00 0.00 C ATOM 2057 NH1 ARG A 133 11.907 -8.863 -7.160 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.455 -8.666 -4.941 1.00 0.00 N ATOM 0 H ARG A 133 7.921 -6.072 -8.564 1.00 0.00 H new ATOM 0 HA ARG A 133 9.481 -3.821 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.813 -6.731 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.061 -5.606 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.903 -6.177 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.904 -4.824 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.224 -6.205 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.688 -7.582 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 133 10.798 -6.812 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.368 -8.554 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.566 -9.636 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.338 -8.205 -4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.113 -9.439 -5.037 1.00 0.00 H new ATOM 2072 N SER A 134 8.797 -5.111 -11.789 1.00 0.00 N ATOM 2073 CA SER A 134 8.719 -4.794 -13.210 1.00 0.00 C ATOM 2074 C SER A 134 8.144 -3.396 -13.424 1.00 0.00 C ATOM 2075 O SER A 134 8.598 -2.654 -14.295 1.00 0.00 O ATOM 2076 CB SER A 134 7.858 -5.827 -13.938 1.00 0.00 C ATOM 2077 OG SER A 134 8.283 -5.989 -15.281 1.00 0.00 O ATOM 0 H SER A 134 8.546 -6.072 -11.557 1.00 0.00 H new ATOM 0 HA SER A 134 9.729 -4.820 -13.619 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.914 -6.783 -13.418 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.814 -5.514 -13.919 1.00 0.00 H new ATOM 0 HG SER A 134 7.718 -6.656 -15.725 1.00 0.00 H new ATOM 2083 N GLU A 135 7.144 -3.045 -12.621 1.00 0.00 N ATOM 2084 CA GLU A 135 6.508 -1.737 -12.723 1.00 0.00 C ATOM 2085 C GLU A 135 7.477 -0.627 -12.325 1.00 0.00 C ATOM 2086 O GLU A 135 7.779 0.263 -13.119 1.00 0.00 O ATOM 2087 CB GLU A 135 5.261 -1.682 -11.839 1.00 0.00 C ATOM 2088 CG GLU A 135 4.169 -2.649 -12.264 1.00 0.00 C ATOM 2089 CD GLU A 135 3.349 -2.128 -13.429 1.00 0.00 C ATOM 2090 OE1 GLU A 135 2.887 -0.970 -13.359 1.00 0.00 O ATOM 2091 OE2 GLU A 135 3.170 -2.878 -14.411 1.00 0.00 O ATOM 0 H GLU A 135 6.758 -3.647 -11.894 1.00 0.00 H new ATOM 0 HA GLU A 135 6.216 -1.584 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.546 -1.899 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.862 -0.668 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.620 -3.602 -12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.510 -2.841 -11.418 1.00 0.00 H new