USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 LYS NZ :NH3+ -121:sc= 1.36 (180deg=0.067) USER MOD Set 1.2: A 90 TYR OH : rot -136:sc= 0.663 USER MOD Set 2.1: A 38 MET CE :methyl -131:sc= -0.308 (180deg=-2.7!) USER MOD Set 2.2: A 49 SER OG : rot 180:sc= -0.444 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.532 K(o=-0.11,f=-4.6!) USER MOD Set 3.2: A 23 SER OG : rot -71:sc= 0.417 USER MOD Single : A 14 GLN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.332 K(o=0.33,f=-3.9!) USER MOD Single : A 18 THR OG1 : rot 169:sc= 0.596 USER MOD Single : A 22 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0127 (180deg=-0.127) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 54 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.19) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -1.04 (180deg=-1.28) USER MOD Single : A 63 SER OG : rot 180:sc= -0.647 USER MOD Single : A 70 SER OG : rot -78:sc= 0.0641 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 0.986 (180deg=0.864) USER MOD Single : A 77 ASN : amide:sc= -1.54 K(o=-1.5,f=-6.2!) USER MOD Single : A 83 ASN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 92 THR OG1 : rot 79:sc= 1.03 USER MOD Single : A 94 MET CE :methyl 170:sc= -0.0646 (180deg=-0.293) USER MOD Single : A 99 SER OG : rot 75:sc= 0.795 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0198 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 -0.948 -4.374 10.971 1.00 10.33 N ATOM 202 CA ILE A 13 0.184 -3.804 10.206 1.00 51.55 C ATOM 203 C ILE A 13 1.063 -2.936 11.153 1.00 54.23 C ATOM 204 O ILE A 13 0.561 -2.372 12.133 1.00 74.42 O ATOM 205 CB ILE A 13 -0.335 -2.953 8.955 1.00 11.55 C ATOM 206 CG1 ILE A 13 -1.077 -3.839 7.883 1.00 64.32 C ATOM 207 CG2 ILE A 13 0.813 -2.157 8.283 1.00 11.42 C ATOM 208 CD1 ILE A 13 -2.452 -4.362 8.279 1.00 73.34 C ATOM 0 HA ILE A 13 0.790 -4.618 9.809 1.00 51.55 H new ATOM 0 HB ILE A 13 -1.059 -2.246 9.359 1.00 11.55 H new ATOM 0 HG12 ILE A 13 -1.183 -3.254 6.969 1.00 64.32 H new ATOM 0 HG13 ILE A 13 -0.442 -4.692 7.644 1.00 64.32 H new ATOM 0 HG21 ILE A 13 0.418 -1.593 7.438 1.00 11.42 H new ATOM 0 HG22 ILE A 13 1.251 -1.469 9.006 1.00 11.42 H new ATOM 0 HG23 ILE A 13 1.578 -2.849 7.931 1.00 11.42 H new ATOM 0 HD11 ILE A 13 -2.864 -4.957 7.464 1.00 73.34 H new ATOM 0 HD12 ILE A 13 -2.362 -4.982 9.171 1.00 73.34 H new ATOM 0 HD13 ILE A 13 -3.115 -3.522 8.486 1.00 73.34 H new ATOM 220 N GLN A 14 2.377 -2.885 10.886 1.00 63.40 N ATOM 221 CA GLN A 14 3.319 -1.974 11.580 1.00 32.32 C ATOM 222 C GLN A 14 3.940 -0.996 10.562 1.00 52.10 C ATOM 223 O GLN A 14 3.995 -1.291 9.367 1.00 45.53 O ATOM 224 CB GLN A 14 4.415 -2.789 12.317 1.00 42.01 C ATOM 225 CG GLN A 14 5.290 -3.674 11.404 1.00 75.25 C ATOM 226 CD GLN A 14 6.339 -4.514 12.139 1.00 31.30 C ATOM 227 OE1 GLN A 14 6.698 -5.605 11.688 1.00 40.15 O ATOM 228 NE2 GLN A 14 6.870 -4.011 13.252 1.00 52.42 N ATOM 0 H GLN A 14 2.824 -3.473 10.182 1.00 63.40 H new ATOM 0 HA GLN A 14 2.777 -1.395 12.328 1.00 32.32 H new ATOM 0 HB2 GLN A 14 5.062 -2.097 12.856 1.00 42.01 H new ATOM 0 HB3 GLN A 14 3.936 -3.423 13.063 1.00 42.01 H new ATOM 0 HG2 GLN A 14 4.641 -4.342 10.839 1.00 75.25 H new ATOM 0 HG3 GLN A 14 5.798 -3.036 10.681 1.00 75.25 H new ATOM 0 HE21 GLN A 14 6.555 -3.107 13.604 1.00 52.42 H new ATOM 0 HE22 GLN A 14 7.591 -4.530 13.753 1.00 52.42 H new ATOM 237 N THR A 15 4.392 0.176 11.039 1.00 43.10 N ATOM 238 CA THR A 15 4.973 1.230 10.181 1.00 31.45 C ATOM 239 C THR A 15 6.455 1.458 10.519 1.00 13.43 C ATOM 240 O THR A 15 6.824 1.525 11.700 1.00 32.52 O ATOM 241 CB THR A 15 4.173 2.569 10.333 1.00 74.51 C ATOM 242 OG1 THR A 15 4.051 2.919 11.724 1.00 30.41 O ATOM 243 CG2 THR A 15 2.768 2.465 9.723 1.00 45.10 C ATOM 0 H THR A 15 4.366 0.422 12.029 1.00 43.10 H new ATOM 0 HA THR A 15 4.903 0.896 9.146 1.00 31.45 H new ATOM 0 HB THR A 15 4.728 3.339 9.798 1.00 74.51 H new ATOM 0 HG1 THR A 15 3.551 3.758 11.808 1.00 30.41 H new ATOM 0 HG21 THR A 15 2.246 3.413 9.849 1.00 45.10 H new ATOM 0 HG22 THR A 15 2.849 2.233 8.661 1.00 45.10 H new ATOM 0 HG23 THR A 15 2.211 1.674 10.226 1.00 45.10 H new ATOM 251 N GLN A 16 7.293 1.564 9.475 1.00 63.31 N ATOM 252 CA GLN A 16 8.741 1.805 9.604 1.00 72.11 C ATOM 253 C GLN A 16 9.099 3.200 9.058 1.00 30.53 C ATOM 254 O GLN A 16 8.476 3.676 8.097 1.00 14.44 O ATOM 255 CB GLN A 16 9.523 0.691 8.850 1.00 21.41 C ATOM 256 CG GLN A 16 11.064 0.768 8.944 1.00 13.44 C ATOM 257 CD GLN A 16 11.600 0.752 10.380 1.00 11.01 C ATOM 258 OE1 GLN A 16 11.819 1.802 10.989 1.00 61.21 O ATOM 259 NE2 GLN A 16 11.800 -0.432 10.935 1.00 4.12 N ATOM 0 H GLN A 16 6.982 1.484 8.507 1.00 63.31 H new ATOM 0 HA GLN A 16 9.022 1.775 10.657 1.00 72.11 H new ATOM 0 HB2 GLN A 16 9.202 -0.276 9.236 1.00 21.41 H new ATOM 0 HB3 GLN A 16 9.240 0.724 7.798 1.00 21.41 H new ATOM 0 HG2 GLN A 16 11.494 -0.071 8.397 1.00 13.44 H new ATOM 0 HG3 GLN A 16 11.403 1.678 8.450 1.00 13.44 H new ATOM 0 HE21 GLN A 16 11.609 -1.282 10.405 1.00 4.12 H new ATOM 0 HE22 GLN A 16 12.145 -0.495 11.893 1.00 4.12 H new ATOM 268 N ASP A 17 10.117 3.825 9.692 1.00 2.52 N ATOM 269 CA ASP A 17 10.627 5.169 9.348 1.00 52.34 C ATOM 270 C ASP A 17 11.147 5.219 7.906 1.00 15.11 C ATOM 271 O ASP A 17 12.016 4.422 7.535 1.00 72.22 O ATOM 272 CB ASP A 17 11.785 5.576 10.302 1.00 75.31 C ATOM 273 CG ASP A 17 11.360 5.627 11.773 1.00 50.23 C ATOM 274 OD1 ASP A 17 11.389 4.573 12.448 1.00 32.41 O ATOM 275 OD2 ASP A 17 10.984 6.714 12.260 1.00 13.24 O ATOM 0 H ASP A 17 10.616 3.399 10.473 1.00 2.52 H new ATOM 0 HA ASP A 17 9.793 5.863 9.454 1.00 52.34 H new ATOM 0 HB2 ASP A 17 12.606 4.867 10.191 1.00 75.31 H new ATOM 0 HB3 ASP A 17 12.166 6.553 10.006 1.00 75.31 H new ATOM 280 N THR A 18 10.630 6.171 7.119 1.00 10.21 N ATOM 281 CA THR A 18 11.057 6.414 5.734 1.00 53.04 C ATOM 282 C THR A 18 11.803 7.770 5.684 1.00 43.02 C ATOM 283 O THR A 18 11.450 8.682 6.449 1.00 43.32 O ATOM 284 CB THR A 18 9.823 6.423 4.763 1.00 4.04 C ATOM 285 OG1 THR A 18 8.820 7.315 5.262 1.00 5.31 O ATOM 286 CG2 THR A 18 9.213 5.020 4.579 1.00 45.52 C ATOM 0 H THR A 18 9.893 6.803 7.430 1.00 10.21 H new ATOM 0 HA THR A 18 11.721 5.614 5.408 1.00 53.04 H new ATOM 0 HB THR A 18 10.180 6.760 3.790 1.00 4.04 H new ATOM 0 HG1 THR A 18 8.137 7.457 4.574 1.00 5.31 H new ATOM 0 HG21 THR A 18 8.363 5.079 3.899 1.00 45.52 H new ATOM 0 HG22 THR A 18 9.964 4.348 4.163 1.00 45.52 H new ATOM 0 HG23 THR A 18 8.880 4.639 5.544 1.00 45.52 H new ATOM 294 N PRO A 19 12.842 7.939 4.797 1.00 32.13 N ATOM 295 CA PRO A 19 13.604 9.220 4.666 1.00 64.32 C ATOM 296 C PRO A 19 12.791 10.369 4.006 1.00 64.24 C ATOM 297 O PRO A 19 13.305 11.480 3.848 1.00 64.33 O ATOM 298 CB PRO A 19 14.837 8.819 3.792 1.00 14.13 C ATOM 299 CG PRO A 19 14.832 7.312 3.739 1.00 0.30 C ATOM 300 CD PRO A 19 13.385 6.906 3.876 1.00 72.14 C ATOM 0 HA PRO A 19 13.869 9.627 5.642 1.00 64.32 H new ATOM 0 HB2 PRO A 19 14.762 9.245 2.792 1.00 14.13 H new ATOM 0 HB3 PRO A 19 15.763 9.192 4.229 1.00 14.13 H new ATOM 0 HG2 PRO A 19 15.253 6.951 2.801 1.00 0.30 H new ATOM 0 HG3 PRO A 19 15.435 6.889 4.542 1.00 0.30 H new ATOM 0 HD2 PRO A 19 12.871 6.910 2.915 1.00 72.14 H new ATOM 0 HD3 PRO A 19 13.283 5.902 4.288 1.00 72.14 H new ATOM 308 N ASN A 20 11.531 10.090 3.624 1.00 52.15 N ATOM 309 CA ASN A 20 10.635 11.047 2.944 1.00 61.10 C ATOM 310 C ASN A 20 9.232 10.982 3.599 1.00 35.23 C ATOM 311 O ASN A 20 8.677 9.887 3.699 1.00 13.51 O ATOM 312 CB ASN A 20 10.586 10.703 1.425 1.00 20.45 C ATOM 313 CG ASN A 20 9.460 11.394 0.657 1.00 13.54 C ATOM 314 OD1 ASN A 20 8.396 10.809 0.443 1.00 52.44 O ATOM 315 ND2 ASN A 20 9.661 12.647 0.274 1.00 75.14 N ATOM 0 H ASN A 20 11.099 9.179 3.781 1.00 52.15 H new ATOM 0 HA ASN A 20 11.005 12.067 3.047 1.00 61.10 H new ATOM 0 HB2 ASN A 20 11.539 10.976 0.972 1.00 20.45 H new ATOM 0 HB3 ASN A 20 10.477 9.624 1.313 1.00 20.45 H new ATOM 0 HD21 ASN A 20 8.923 13.156 -0.213 1.00 75.14 H new ATOM 0 HD22 ASN A 20 10.553 13.102 0.467 1.00 75.14 H new ATOM 322 N PRO A 21 8.633 12.148 4.043 1.00 44.35 N ATOM 323 CA PRO A 21 7.325 12.175 4.756 1.00 62.24 C ATOM 324 C PRO A 21 6.119 11.965 3.810 1.00 45.42 C ATOM 325 O PRO A 21 5.013 11.641 4.265 1.00 71.12 O ATOM 326 CB PRO A 21 7.291 13.595 5.414 1.00 4.02 C ATOM 327 CG PRO A 21 8.633 14.223 5.119 1.00 61.21 C ATOM 328 CD PRO A 21 9.155 13.527 3.883 1.00 65.51 C ATOM 0 HA PRO A 21 7.242 11.363 5.478 1.00 62.24 H new ATOM 0 HB2 PRO A 21 6.480 14.196 5.003 1.00 4.02 H new ATOM 0 HB3 PRO A 21 7.122 13.523 6.488 1.00 4.02 H new ATOM 0 HG2 PRO A 21 8.534 15.295 4.951 1.00 61.21 H new ATOM 0 HG3 PRO A 21 9.317 14.094 5.958 1.00 61.21 H new ATOM 0 HD2 PRO A 21 8.789 13.995 2.969 1.00 65.51 H new ATOM 0 HD3 PRO A 21 10.244 13.545 3.837 1.00 65.51 H new ATOM 336 N ASN A 22 6.346 12.170 2.491 1.00 50.02 N ATOM 337 CA ASN A 22 5.314 11.997 1.443 1.00 21.04 C ATOM 338 C ASN A 22 4.972 10.507 1.260 1.00 2.35 C ATOM 339 O ASN A 22 3.922 10.158 0.718 1.00 25.22 O ATOM 340 CB ASN A 22 5.787 12.595 0.088 1.00 32.34 C ATOM 341 CG ASN A 22 6.166 14.078 0.148 1.00 54.11 C ATOM 342 OD1 ASN A 22 6.646 14.582 1.164 1.00 53.25 O ATOM 343 ND2 ASN A 22 5.956 14.788 -0.944 1.00 41.25 N ATOM 0 H ASN A 22 7.252 12.461 2.124 1.00 50.02 H new ATOM 0 HA ASN A 22 4.421 12.532 1.767 1.00 21.04 H new ATOM 0 HB2 ASN A 22 6.647 12.027 -0.265 1.00 32.34 H new ATOM 0 HB3 ASN A 22 4.995 12.465 -0.649 1.00 32.34 H new ATOM 0 HD21 ASN A 22 6.193 15.780 -0.961 1.00 41.25 H new ATOM 0 HD22 ASN A 22 5.557 14.345 -1.772 1.00 41.25 H new ATOM 350 N SER A 23 5.886 9.644 1.721 1.00 10.01 N ATOM 351 CA SER A 23 5.711 8.190 1.712 1.00 2.43 C ATOM 352 C SER A 23 5.812 7.651 3.149 1.00 0.45 C ATOM 353 O SER A 23 6.429 8.283 4.013 1.00 43.23 O ATOM 354 CB SER A 23 6.767 7.534 0.794 1.00 45.14 C ATOM 355 OG SER A 23 8.089 7.889 1.176 1.00 4.11 O ATOM 0 H SER A 23 6.778 9.942 2.115 1.00 10.01 H new ATOM 0 HA SER A 23 4.725 7.943 1.319 1.00 2.43 H new ATOM 0 HB2 SER A 23 6.657 6.450 0.829 1.00 45.14 H new ATOM 0 HB3 SER A 23 6.592 7.839 -0.238 1.00 45.14 H new ATOM 0 HG SER A 23 8.250 8.831 0.961 1.00 4.11 H new ATOM 361 N LEU A 24 5.143 6.523 3.411 1.00 15.54 N ATOM 362 CA LEU A 24 5.306 5.770 4.666 1.00 40.50 C ATOM 363 C LEU A 24 5.231 4.277 4.355 1.00 72.10 C ATOM 364 O LEU A 24 4.419 3.852 3.526 1.00 44.25 O ATOM 365 CB LEU A 24 4.234 6.182 5.718 1.00 52.44 C ATOM 366 CG LEU A 24 4.296 5.467 7.115 1.00 44.01 C ATOM 367 CD1 LEU A 24 5.690 5.603 7.774 1.00 23.04 C ATOM 368 CD2 LEU A 24 3.178 5.991 8.053 1.00 54.44 C ATOM 0 H LEU A 24 4.475 6.105 2.764 1.00 15.54 H new ATOM 0 HA LEU A 24 6.278 6.001 5.102 1.00 40.50 H new ATOM 0 HB2 LEU A 24 4.316 7.256 5.883 1.00 52.44 H new ATOM 0 HB3 LEU A 24 3.249 6.000 5.288 1.00 52.44 H new ATOM 0 HG LEU A 24 4.127 4.404 6.945 1.00 44.01 H new ATOM 0 HD11 LEU A 24 5.688 5.094 8.738 1.00 23.04 H new ATOM 0 HD12 LEU A 24 6.443 5.153 7.128 1.00 23.04 H new ATOM 0 HD13 LEU A 24 5.922 6.658 7.921 1.00 23.04 H new ATOM 0 HD21 LEU A 24 3.241 5.481 9.014 1.00 54.44 H new ATOM 0 HD22 LEU A 24 3.301 7.064 8.202 1.00 54.44 H new ATOM 0 HD23 LEU A 24 2.205 5.797 7.603 1.00 54.44 H new ATOM 380 N LYS A 25 6.097 3.501 5.011 1.00 53.40 N ATOM 381 CA LYS A 25 6.181 2.055 4.830 1.00 52.54 C ATOM 382 C LYS A 25 5.256 1.353 5.831 1.00 74.22 C ATOM 383 O LYS A 25 5.368 1.558 7.039 1.00 21.31 O ATOM 384 CB LYS A 25 7.640 1.586 5.021 1.00 74.23 C ATOM 385 CG LYS A 25 7.849 0.062 4.863 1.00 74.12 C ATOM 386 CD LYS A 25 9.333 -0.347 4.990 1.00 44.03 C ATOM 387 CE LYS A 25 10.205 0.223 3.861 1.00 22.12 C ATOM 388 NZ LYS A 25 11.648 -0.031 4.105 1.00 2.03 N ATOM 0 H LYS A 25 6.766 3.866 5.689 1.00 53.40 H new ATOM 0 HA LYS A 25 5.863 1.798 3.820 1.00 52.54 H new ATOM 0 HB2 LYS A 25 8.272 2.103 4.299 1.00 74.23 H new ATOM 0 HB3 LYS A 25 7.978 1.885 6.013 1.00 74.23 H new ATOM 0 HG2 LYS A 25 7.265 -0.462 5.619 1.00 74.12 H new ATOM 0 HG3 LYS A 25 7.470 -0.255 3.891 1.00 74.12 H new ATOM 0 HD2 LYS A 25 9.719 -0.004 5.950 1.00 44.03 H new ATOM 0 HD3 LYS A 25 9.407 -1.434 4.987 1.00 44.03 H new ATOM 0 HE2 LYS A 25 9.911 -0.225 2.912 1.00 22.12 H new ATOM 0 HE3 LYS A 25 10.033 1.296 3.774 1.00 22.12 H new ATOM 0 HZ1 LYS A 25 12.207 0.367 3.324 1.00 2.03 H new ATOM 0 HZ2 LYS A 25 11.933 0.418 4.999 1.00 2.03 H new ATOM 0 HZ3 LYS A 25 11.815 -1.056 4.163 1.00 2.03 H new ATOM 402 N PHE A 26 4.365 0.527 5.294 1.00 73.54 N ATOM 403 CA PHE A 26 3.390 -0.271 6.038 1.00 71.34 C ATOM 404 C PHE A 26 3.766 -1.743 5.852 1.00 51.44 C ATOM 405 O PHE A 26 3.425 -2.351 4.835 1.00 72.12 O ATOM 406 CB PHE A 26 1.953 0.002 5.489 1.00 1.31 C ATOM 407 CG PHE A 26 1.472 1.442 5.675 1.00 34.22 C ATOM 408 CD1 PHE A 26 1.772 2.437 4.740 1.00 31.23 C ATOM 409 CD2 PHE A 26 0.728 1.802 6.795 1.00 51.42 C ATOM 410 CE1 PHE A 26 1.343 3.741 4.928 1.00 44.43 C ATOM 411 CE2 PHE A 26 0.304 3.102 6.981 1.00 2.54 C ATOM 412 CZ PHE A 26 0.609 4.072 6.049 1.00 71.22 C ATOM 0 H PHE A 26 4.297 0.387 4.286 1.00 73.54 H new ATOM 0 HA PHE A 26 3.398 -0.010 7.096 1.00 71.34 H new ATOM 0 HB2 PHE A 26 1.930 -0.242 4.427 1.00 1.31 H new ATOM 0 HB3 PHE A 26 1.253 -0.670 5.986 1.00 1.31 H new ATOM 0 HD1 PHE A 26 2.345 2.186 3.860 1.00 31.23 H new ATOM 0 HD2 PHE A 26 0.478 1.052 7.531 1.00 51.42 H new ATOM 0 HE1 PHE A 26 1.583 4.499 4.197 1.00 44.43 H new ATOM 0 HE2 PHE A 26 -0.269 3.361 7.859 1.00 2.54 H new ATOM 0 HZ PHE A 26 0.274 5.088 6.196 1.00 71.22 H new ATOM 422 N ILE A 27 4.522 -2.285 6.812 1.00 71.23 N ATOM 423 CA ILE A 27 4.940 -3.697 6.819 1.00 13.34 C ATOM 424 C ILE A 27 3.767 -4.545 7.359 1.00 53.20 C ATOM 425 O ILE A 27 3.467 -4.467 8.558 1.00 22.13 O ATOM 426 CB ILE A 27 6.230 -3.902 7.711 1.00 70.23 C ATOM 427 CG1 ILE A 27 7.378 -2.956 7.231 1.00 12.11 C ATOM 428 CG2 ILE A 27 6.685 -5.389 7.729 1.00 42.41 C ATOM 429 CD1 ILE A 27 8.607 -2.938 8.121 1.00 4.42 C ATOM 0 H ILE A 27 4.865 -1.755 7.613 1.00 71.23 H new ATOM 0 HA ILE A 27 5.194 -4.009 5.806 1.00 13.34 H new ATOM 0 HB ILE A 27 5.977 -3.638 8.738 1.00 70.23 H new ATOM 0 HG12 ILE A 27 7.679 -3.255 6.227 1.00 12.11 H new ATOM 0 HG13 ILE A 27 6.986 -1.942 7.157 1.00 12.11 H new ATOM 0 HG21 ILE A 27 7.574 -5.490 8.352 1.00 42.41 H new ATOM 0 HG22 ILE A 27 5.885 -6.009 8.134 1.00 42.41 H new ATOM 0 HG23 ILE A 27 6.915 -5.711 6.714 1.00 42.41 H new ATOM 0 HD11 ILE A 27 9.347 -2.254 7.706 1.00 4.42 H new ATOM 0 HD12 ILE A 27 8.327 -2.607 9.121 1.00 4.42 H new ATOM 0 HD13 ILE A 27 9.031 -3.941 8.176 1.00 4.42 H new ATOM 441 N PRO A 28 3.051 -5.331 6.485 1.00 62.20 N ATOM 442 CA PRO A 28 1.849 -6.091 6.907 1.00 1.53 C ATOM 443 C PRO A 28 2.173 -7.232 7.889 1.00 60.52 C ATOM 444 O PRO A 28 1.363 -7.544 8.760 1.00 30.44 O ATOM 445 CB PRO A 28 1.273 -6.629 5.569 1.00 70.32 C ATOM 446 CG PRO A 28 2.454 -6.709 4.659 1.00 64.51 C ATOM 447 CD PRO A 28 3.338 -5.539 5.034 1.00 74.51 C ATOM 0 HA PRO A 28 1.145 -5.468 7.458 1.00 1.53 H new ATOM 0 HB2 PRO A 28 0.807 -7.605 5.702 1.00 70.32 H new ATOM 0 HB3 PRO A 28 0.508 -5.963 5.169 1.00 70.32 H new ATOM 0 HG2 PRO A 28 2.982 -7.655 4.784 1.00 64.51 H new ATOM 0 HG3 PRO A 28 2.148 -6.650 3.614 1.00 64.51 H new ATOM 0 HD2 PRO A 28 4.391 -5.761 4.862 1.00 74.51 H new ATOM 0 HD3 PRO A 28 3.099 -4.652 4.447 1.00 74.51 H new ATOM 455 N GLY A 29 3.383 -7.812 7.762 1.00 4.45 N ATOM 456 CA GLY A 29 3.782 -9.003 8.524 1.00 33.14 C ATOM 457 C GLY A 29 3.751 -10.268 7.676 1.00 74.33 C ATOM 458 O GLY A 29 4.116 -11.352 8.147 1.00 15.30 O ATOM 0 H GLY A 29 4.105 -7.467 7.130 1.00 4.45 H new ATOM 0 HA2 GLY A 29 4.787 -8.858 8.920 1.00 33.14 H new ATOM 0 HA3 GLY A 29 3.117 -9.125 9.379 1.00 33.14 H new ATOM 462 N LYS A 30 3.286 -10.121 6.425 1.00 51.34 N ATOM 463 CA LYS A 30 3.260 -11.191 5.418 1.00 61.11 C ATOM 464 C LYS A 30 4.117 -10.752 4.215 1.00 22.22 C ATOM 465 O LYS A 30 4.031 -9.583 3.803 1.00 23.01 O ATOM 466 CB LYS A 30 1.798 -11.485 4.970 1.00 22.04 C ATOM 467 CG LYS A 30 0.909 -12.078 6.086 1.00 34.42 C ATOM 468 CD LYS A 30 -0.534 -12.378 5.612 1.00 34.32 C ATOM 469 CE LYS A 30 -1.399 -13.027 6.702 1.00 42.34 C ATOM 470 NZ LYS A 30 -0.852 -14.338 7.136 1.00 41.11 N ATOM 0 H LYS A 30 2.911 -9.238 6.080 1.00 51.34 H new ATOM 0 HA LYS A 30 3.666 -12.108 5.844 1.00 61.11 H new ATOM 0 HB2 LYS A 30 1.345 -10.561 4.611 1.00 22.04 H new ATOM 0 HB3 LYS A 30 1.818 -12.178 4.129 1.00 22.04 H new ATOM 0 HG2 LYS A 30 1.363 -12.998 6.455 1.00 34.42 H new ATOM 0 HG3 LYS A 30 0.873 -11.381 6.924 1.00 34.42 H new ATOM 0 HD2 LYS A 30 -1.004 -11.450 5.287 1.00 34.32 H new ATOM 0 HD3 LYS A 30 -0.496 -13.037 4.745 1.00 34.32 H new ATOM 0 HE2 LYS A 30 -1.463 -12.358 7.560 1.00 42.34 H new ATOM 0 HE3 LYS A 30 -2.413 -13.163 6.327 1.00 42.34 H new ATOM 0 HZ1 LYS A 30 -1.546 -14.820 7.743 1.00 41.11 H new ATOM 0 HZ2 LYS A 30 -0.655 -14.926 6.301 1.00 41.11 H new ATOM 0 HZ3 LYS A 30 0.028 -14.188 7.669 1.00 41.11 H new ATOM 484 N PRO A 31 4.976 -11.663 3.643 1.00 42.41 N ATOM 485 CA PRO A 31 5.852 -11.321 2.504 1.00 51.53 C ATOM 486 C PRO A 31 5.031 -11.039 1.230 1.00 42.13 C ATOM 487 O PRO A 31 4.656 -11.961 0.492 1.00 11.32 O ATOM 488 CB PRO A 31 6.777 -12.562 2.374 1.00 51.03 C ATOM 489 CG PRO A 31 5.996 -13.694 2.969 1.00 12.51 C ATOM 490 CD PRO A 31 5.165 -13.077 4.075 1.00 24.44 C ATOM 0 HA PRO A 31 6.424 -10.406 2.654 1.00 51.53 H new ATOM 0 HB2 PRO A 31 7.027 -12.760 1.332 1.00 51.03 H new ATOM 0 HB3 PRO A 31 7.717 -12.410 2.904 1.00 51.03 H new ATOM 0 HG2 PRO A 31 5.362 -14.169 2.220 1.00 12.51 H new ATOM 0 HG3 PRO A 31 6.659 -14.465 3.361 1.00 12.51 H new ATOM 0 HD2 PRO A 31 4.210 -13.590 4.189 1.00 24.44 H new ATOM 0 HD3 PRO A 31 5.675 -13.135 5.037 1.00 24.44 H new ATOM 498 N VAL A 32 4.691 -9.750 1.028 1.00 54.34 N ATOM 499 CA VAL A 32 3.873 -9.301 -0.113 1.00 44.41 C ATOM 500 C VAL A 32 4.605 -9.520 -1.451 1.00 31.34 C ATOM 501 O VAL A 32 4.031 -10.066 -2.392 1.00 53.53 O ATOM 502 CB VAL A 32 3.393 -7.805 0.052 1.00 4.01 C ATOM 503 CG1 VAL A 32 2.401 -7.692 1.228 1.00 32.14 C ATOM 504 CG2 VAL A 32 4.574 -6.823 0.228 1.00 54.05 C ATOM 0 H VAL A 32 4.976 -8.994 1.651 1.00 54.34 H new ATOM 0 HA VAL A 32 2.975 -9.919 -0.126 1.00 44.41 H new ATOM 0 HB VAL A 32 2.886 -7.520 -0.870 1.00 4.01 H new ATOM 0 HG11 VAL A 32 2.077 -6.657 1.332 1.00 32.14 H new ATOM 0 HG12 VAL A 32 1.535 -8.326 1.036 1.00 32.14 H new ATOM 0 HG13 VAL A 32 2.889 -8.014 2.148 1.00 32.14 H new ATOM 0 HG21 VAL A 32 4.191 -5.809 0.337 1.00 54.05 H new ATOM 0 HG22 VAL A 32 5.143 -7.094 1.118 1.00 54.05 H new ATOM 0 HG23 VAL A 32 5.223 -6.873 -0.647 1.00 54.05 H new ATOM 514 N LEU A 33 5.884 -9.118 -1.513 1.00 52.13 N ATOM 515 CA LEU A 33 6.767 -9.379 -2.666 1.00 63.01 C ATOM 516 C LEU A 33 8.190 -9.633 -2.164 1.00 64.04 C ATOM 517 O LEU A 33 9.061 -8.769 -2.255 1.00 1.31 O ATOM 518 CB LEU A 33 6.741 -8.211 -3.702 1.00 40.32 C ATOM 519 CG LEU A 33 5.469 -8.070 -4.591 1.00 72.32 C ATOM 520 CD1 LEU A 33 5.594 -6.867 -5.537 1.00 20.14 C ATOM 521 CD2 LEU A 33 5.187 -9.365 -5.383 1.00 62.13 C ATOM 0 H LEU A 33 6.339 -8.600 -0.762 1.00 52.13 H new ATOM 0 HA LEU A 33 6.400 -10.264 -3.186 1.00 63.01 H new ATOM 0 HB2 LEU A 33 6.878 -7.276 -3.159 1.00 40.32 H new ATOM 0 HB3 LEU A 33 7.602 -8.326 -4.361 1.00 40.32 H new ATOM 0 HG LEU A 33 4.621 -7.897 -3.929 1.00 72.32 H new ATOM 0 HD11 LEU A 33 4.694 -6.789 -6.147 1.00 20.14 H new ATOM 0 HD12 LEU A 33 5.716 -5.955 -4.952 1.00 20.14 H new ATOM 0 HD13 LEU A 33 6.461 -7.001 -6.184 1.00 20.14 H new ATOM 0 HD21 LEU A 33 4.293 -9.232 -5.992 1.00 62.13 H new ATOM 0 HD22 LEU A 33 6.036 -9.589 -6.029 1.00 62.13 H new ATOM 0 HD23 LEU A 33 5.032 -10.190 -4.688 1.00 62.13 H new ATOM 533 N GLU A 34 8.421 -10.838 -1.627 1.00 24.34 N ATOM 534 CA GLU A 34 9.748 -11.264 -1.122 1.00 41.42 C ATOM 535 C GLU A 34 10.546 -11.951 -2.263 1.00 42.34 C ATOM 536 O GLU A 34 11.326 -12.889 -2.056 1.00 40.44 O ATOM 537 CB GLU A 34 9.539 -12.184 0.116 1.00 52.14 C ATOM 538 CG GLU A 34 10.793 -12.434 0.984 1.00 70.42 C ATOM 539 CD GLU A 34 11.445 -11.130 1.488 1.00 44.03 C ATOM 540 OE1 GLU A 34 10.916 -10.519 2.441 1.00 34.33 O ATOM 541 OE2 GLU A 34 12.492 -10.720 0.939 1.00 33.22 O ATOM 0 H GLU A 34 7.698 -11.551 -1.527 1.00 24.34 H new ATOM 0 HA GLU A 34 10.340 -10.407 -0.800 1.00 41.42 H new ATOM 0 HB2 GLU A 34 8.765 -11.745 0.746 1.00 52.14 H new ATOM 0 HB3 GLU A 34 9.161 -13.146 -0.229 1.00 52.14 H new ATOM 0 HG2 GLU A 34 10.519 -13.051 1.840 1.00 70.42 H new ATOM 0 HG3 GLU A 34 11.523 -12.999 0.404 1.00 70.42 H new ATOM 548 N THR A 35 10.341 -11.428 -3.480 1.00 11.35 N ATOM 549 CA THR A 35 10.959 -11.909 -4.718 1.00 14.14 C ATOM 550 C THR A 35 11.470 -10.709 -5.541 1.00 23.51 C ATOM 551 O THR A 35 12.497 -10.807 -6.225 1.00 74.23 O ATOM 552 CB THR A 35 9.939 -12.765 -5.552 1.00 24.35 C ATOM 553 OG1 THR A 35 10.504 -13.148 -6.820 1.00 11.43 O ATOM 554 CG2 THR A 35 8.604 -12.028 -5.782 1.00 44.04 C ATOM 0 H THR A 35 9.720 -10.633 -3.632 1.00 11.35 H new ATOM 0 HA THR A 35 11.804 -12.550 -4.467 1.00 14.14 H new ATOM 0 HB THR A 35 9.731 -13.658 -4.963 1.00 24.35 H new ATOM 0 HG1 THR A 35 9.852 -13.681 -7.321 1.00 11.43 H new ATOM 0 HG21 THR A 35 7.934 -12.662 -6.363 1.00 44.04 H new ATOM 0 HG22 THR A 35 8.144 -11.799 -4.821 1.00 44.04 H new ATOM 0 HG23 THR A 35 8.789 -11.101 -6.325 1.00 44.04 H new ATOM 562 N ARG A 36 10.748 -9.565 -5.437 1.00 13.15 N ATOM 563 CA ARG A 36 11.024 -8.350 -6.229 1.00 42.35 C ATOM 564 C ARG A 36 10.247 -7.141 -5.658 1.00 62.42 C ATOM 565 O ARG A 36 9.665 -7.222 -4.575 1.00 42.42 O ATOM 566 CB ARG A 36 10.636 -8.573 -7.721 1.00 41.12 C ATOM 567 CG ARG A 36 9.114 -8.741 -7.993 1.00 20.04 C ATOM 568 CD ARG A 36 8.786 -8.754 -9.492 1.00 51.11 C ATOM 569 NE ARG A 36 7.342 -8.862 -9.750 1.00 13.35 N ATOM 570 CZ ARG A 36 6.756 -8.676 -10.945 1.00 34.04 C ATOM 571 NH1 ARG A 36 7.469 -8.363 -12.024 1.00 63.32 N ATOM 572 NH2 ARG A 36 5.448 -8.821 -11.053 1.00 12.04 N ATOM 0 H ARG A 36 9.958 -9.464 -4.800 1.00 13.15 H new ATOM 0 HA ARG A 36 12.092 -8.140 -6.170 1.00 42.35 H new ATOM 0 HB2 ARG A 36 11.002 -7.728 -8.305 1.00 41.12 H new ATOM 0 HB3 ARG A 36 11.154 -9.460 -8.085 1.00 41.12 H new ATOM 0 HG2 ARG A 36 8.767 -9.670 -7.540 1.00 20.04 H new ATOM 0 HG3 ARG A 36 8.570 -7.928 -7.512 1.00 20.04 H new ATOM 0 HD2 ARG A 36 9.167 -7.842 -9.952 1.00 51.11 H new ATOM 0 HD3 ARG A 36 9.300 -9.590 -9.966 1.00 51.11 H new ATOM 0 HE ARG A 36 6.739 -9.096 -8.961 1.00 13.35 H new ATOM 0 HH11 ARG A 36 8.481 -8.260 -11.954 1.00 63.32 H new ATOM 0 HH12 ARG A 36 7.003 -8.226 -12.921 1.00 63.32 H new ATOM 0 HH21 ARG A 36 4.893 -9.072 -10.234 1.00 12.04 H new ATOM 0 HH22 ARG A 36 4.992 -8.682 -11.955 1.00 12.04 H new ATOM 586 N THR A 37 10.266 -6.024 -6.401 1.00 24.15 N ATOM 587 CA THR A 37 9.467 -4.825 -6.106 1.00 4.43 C ATOM 588 C THR A 37 8.561 -4.512 -7.318 1.00 32.24 C ATOM 589 O THR A 37 8.932 -4.820 -8.458 1.00 71.22 O ATOM 590 CB THR A 37 10.393 -3.600 -5.794 1.00 12.14 C ATOM 591 OG1 THR A 37 11.290 -3.365 -6.894 1.00 24.43 O ATOM 592 CG2 THR A 37 11.217 -3.805 -4.508 1.00 70.24 C ATOM 0 H THR A 37 10.845 -5.927 -7.235 1.00 24.15 H new ATOM 0 HA THR A 37 8.853 -5.014 -5.225 1.00 4.43 H new ATOM 0 HB THR A 37 9.742 -2.738 -5.646 1.00 12.14 H new ATOM 0 HG1 THR A 37 11.863 -2.597 -6.690 1.00 24.43 H new ATOM 0 HG21 THR A 37 11.843 -2.930 -4.334 1.00 70.24 H new ATOM 0 HG22 THR A 37 10.543 -3.944 -3.662 1.00 70.24 H new ATOM 0 HG23 THR A 37 11.848 -4.687 -4.617 1.00 70.24 H new ATOM 600 N MET A 38 7.372 -3.913 -7.072 1.00 73.45 N ATOM 601 CA MET A 38 6.412 -3.509 -8.135 1.00 13.31 C ATOM 602 C MET A 38 5.802 -2.152 -7.760 1.00 52.44 C ATOM 603 O MET A 38 5.111 -2.033 -6.744 1.00 72.31 O ATOM 604 CB MET A 38 5.271 -4.558 -8.341 1.00 11.32 C ATOM 605 CG MET A 38 5.712 -5.889 -8.961 1.00 50.53 C ATOM 606 SD MET A 38 4.411 -7.147 -8.925 1.00 2.30 S ATOM 607 CE MET A 38 3.211 -6.498 -10.087 1.00 32.11 C ATOM 0 H MET A 38 7.048 -3.694 -6.130 1.00 73.45 H new ATOM 0 HA MET A 38 6.960 -3.443 -9.075 1.00 13.31 H new ATOM 0 HB2 MET A 38 4.807 -4.761 -7.376 1.00 11.32 H new ATOM 0 HB3 MET A 38 4.503 -4.116 -8.976 1.00 11.32 H new ATOM 0 HG2 MET A 38 6.018 -5.720 -9.993 1.00 50.53 H new ATOM 0 HG3 MET A 38 6.586 -6.261 -8.426 1.00 50.53 H new ATOM 0 HE1 MET A 38 2.219 -6.519 -9.636 1.00 32.11 H new ATOM 0 HE2 MET A 38 3.471 -5.471 -10.343 1.00 32.11 H new ATOM 0 HE3 MET A 38 3.212 -7.108 -10.990 1.00 32.11 H new ATOM 617 N ASP A 39 6.078 -1.143 -8.590 1.00 3.30 N ATOM 618 CA ASP A 39 5.574 0.229 -8.404 1.00 31.11 C ATOM 619 C ASP A 39 4.361 0.468 -9.312 1.00 63.22 C ATOM 620 O ASP A 39 4.283 -0.068 -10.435 1.00 11.33 O ATOM 621 CB ASP A 39 6.694 1.265 -8.690 1.00 31.52 C ATOM 622 CG ASP A 39 7.212 1.239 -10.138 1.00 63.15 C ATOM 623 OD1 ASP A 39 8.030 0.352 -10.468 1.00 11.34 O ATOM 624 OD2 ASP A 39 6.800 2.092 -10.955 1.00 65.13 O ATOM 0 H ASP A 39 6.662 -1.252 -9.419 1.00 3.30 H new ATOM 0 HA ASP A 39 5.261 0.353 -7.367 1.00 31.11 H new ATOM 0 HB2 ASP A 39 6.317 2.263 -8.467 1.00 31.52 H new ATOM 0 HB3 ASP A 39 7.528 1.080 -8.013 1.00 31.52 H new ATOM 629 N PHE A 40 3.403 1.241 -8.786 1.00 50.40 N ATOM 630 CA PHE A 40 2.178 1.645 -9.492 1.00 62.34 C ATOM 631 C PHE A 40 1.995 3.162 -9.319 1.00 73.50 C ATOM 632 O PHE A 40 1.393 3.599 -8.329 1.00 13.10 O ATOM 633 CB PHE A 40 0.945 0.863 -8.949 1.00 32.42 C ATOM 634 CG PHE A 40 1.148 -0.649 -8.947 1.00 13.45 C ATOM 635 CD1 PHE A 40 1.188 -1.363 -10.146 1.00 75.45 C ATOM 636 CD2 PHE A 40 1.315 -1.356 -7.757 1.00 3.04 C ATOM 637 CE1 PHE A 40 1.390 -2.725 -10.154 1.00 70.23 C ATOM 638 CE2 PHE A 40 1.521 -2.718 -7.772 1.00 52.01 C ATOM 639 CZ PHE A 40 1.548 -3.403 -8.967 1.00 13.33 C ATOM 0 H PHE A 40 3.458 1.612 -7.837 1.00 50.40 H new ATOM 0 HA PHE A 40 2.265 1.409 -10.552 1.00 62.34 H new ATOM 0 HB2 PHE A 40 0.730 1.196 -7.934 1.00 32.42 H new ATOM 0 HB3 PHE A 40 0.073 1.106 -9.556 1.00 32.42 H new ATOM 0 HD1 PHE A 40 1.059 -0.839 -11.081 1.00 75.45 H new ATOM 0 HD2 PHE A 40 1.283 -0.831 -6.814 1.00 3.04 H new ATOM 0 HE1 PHE A 40 1.424 -3.261 -11.091 1.00 70.23 H new ATOM 0 HE2 PHE A 40 1.662 -3.251 -6.843 1.00 52.01 H new ATOM 0 HZ PHE A 40 1.693 -4.473 -8.972 1.00 13.33 H new ATOM 649 N PRO A 41 2.561 3.995 -10.254 1.00 1.44 N ATOM 650 CA PRO A 41 2.437 5.476 -10.189 1.00 70.30 C ATOM 651 C PRO A 41 1.004 5.958 -10.517 1.00 64.45 C ATOM 652 O PRO A 41 0.587 7.044 -10.097 1.00 42.43 O ATOM 653 CB PRO A 41 3.462 5.950 -11.246 1.00 71.34 C ATOM 654 CG PRO A 41 3.522 4.834 -12.247 1.00 30.12 C ATOM 655 CD PRO A 41 3.376 3.561 -11.439 1.00 33.41 C ATOM 0 HA PRO A 41 2.628 5.876 -9.193 1.00 70.30 H new ATOM 0 HB2 PRO A 41 3.147 6.883 -11.712 1.00 71.34 H new ATOM 0 HB3 PRO A 41 4.438 6.132 -10.797 1.00 71.34 H new ATOM 0 HG2 PRO A 41 2.725 4.925 -12.985 1.00 30.12 H new ATOM 0 HG3 PRO A 41 4.465 4.847 -12.793 1.00 30.12 H new ATOM 0 HD2 PRO A 41 2.873 2.779 -12.008 1.00 33.41 H new ATOM 0 HD3 PRO A 41 4.345 3.163 -11.137 1.00 33.41 H new ATOM 663 N THR A 42 0.259 5.116 -11.261 1.00 54.41 N ATOM 664 CA THR A 42 -1.105 5.400 -11.726 1.00 20.23 C ATOM 665 C THR A 42 -2.070 4.275 -11.257 1.00 12.51 C ATOM 666 O THR A 42 -1.636 3.121 -11.082 1.00 24.30 O ATOM 667 CB THR A 42 -1.149 5.502 -13.296 1.00 52.32 C ATOM 668 OG1 THR A 42 -0.777 4.248 -13.892 1.00 40.13 O ATOM 669 CG2 THR A 42 -0.228 6.608 -13.842 1.00 0.31 C ATOM 0 H THR A 42 0.600 4.202 -11.559 1.00 54.41 H new ATOM 0 HA THR A 42 -1.418 6.354 -11.302 1.00 20.23 H new ATOM 0 HB THR A 42 -2.176 5.756 -13.561 1.00 52.32 H new ATOM 0 HG1 THR A 42 -0.811 4.327 -14.868 1.00 40.13 H new ATOM 0 HG21 THR A 42 -0.297 6.635 -14.929 1.00 0.31 H new ATOM 0 HG22 THR A 42 -0.535 7.571 -13.435 1.00 0.31 H new ATOM 0 HG23 THR A 42 0.801 6.402 -13.549 1.00 0.31 H new ATOM 677 N PRO A 43 -3.397 4.587 -11.035 1.00 44.14 N ATOM 678 CA PRO A 43 -4.433 3.565 -10.723 1.00 65.53 C ATOM 679 C PRO A 43 -4.655 2.554 -11.875 1.00 21.25 C ATOM 680 O PRO A 43 -5.119 1.432 -11.635 1.00 0.34 O ATOM 681 CB PRO A 43 -5.714 4.404 -10.455 1.00 72.40 C ATOM 682 CG PRO A 43 -5.213 5.783 -10.156 1.00 52.11 C ATOM 683 CD PRO A 43 -3.982 5.955 -11.017 1.00 33.13 C ATOM 0 HA PRO A 43 -4.139 2.944 -9.877 1.00 65.53 H new ATOM 0 HB2 PRO A 43 -6.376 4.403 -11.321 1.00 72.40 H new ATOM 0 HB3 PRO A 43 -6.283 4.000 -9.618 1.00 72.40 H new ATOM 0 HG2 PRO A 43 -5.966 6.535 -10.392 1.00 52.11 H new ATOM 0 HG3 PRO A 43 -4.972 5.893 -9.099 1.00 52.11 H new ATOM 0 HD2 PRO A 43 -4.235 6.300 -12.020 1.00 33.13 H new ATOM 0 HD3 PRO A 43 -3.291 6.684 -10.594 1.00 33.13 H new ATOM 691 N ALA A 44 -4.326 2.962 -13.119 1.00 13.21 N ATOM 692 CA ALA A 44 -4.433 2.084 -14.303 1.00 52.11 C ATOM 693 C ALA A 44 -3.379 0.967 -14.236 1.00 65.34 C ATOM 694 O ALA A 44 -3.711 -0.209 -14.380 1.00 32.51 O ATOM 695 CB ALA A 44 -4.282 2.902 -15.595 1.00 43.23 C ATOM 0 H ALA A 44 -3.982 3.899 -13.330 1.00 13.21 H new ATOM 0 HA ALA A 44 -5.421 1.623 -14.308 1.00 52.11 H new ATOM 0 HB1 ALA A 44 -4.363 2.239 -16.457 1.00 43.23 H new ATOM 0 HB2 ALA A 44 -5.067 3.656 -15.642 1.00 43.23 H new ATOM 0 HB3 ALA A 44 -3.308 3.391 -15.604 1.00 43.23 H new ATOM 701 N ALA A 45 -2.116 1.361 -13.954 1.00 23.45 N ATOM 702 CA ALA A 45 -0.966 0.431 -13.811 1.00 13.02 C ATOM 703 C ALA A 45 -1.196 -0.623 -12.704 1.00 71.21 C ATOM 704 O ALA A 45 -0.657 -1.740 -12.767 1.00 15.22 O ATOM 705 CB ALA A 45 0.315 1.238 -13.519 1.00 43.45 C ATOM 0 H ALA A 45 -1.862 2.339 -13.818 1.00 23.45 H new ATOM 0 HA ALA A 45 -0.859 -0.111 -14.750 1.00 13.02 H new ATOM 0 HB1 ALA A 45 1.159 0.556 -13.414 1.00 43.45 H new ATOM 0 HB2 ALA A 45 0.506 1.928 -14.341 1.00 43.45 H new ATOM 0 HB3 ALA A 45 0.187 1.802 -12.595 1.00 43.45 H new ATOM 711 N ALA A 46 -2.035 -0.252 -11.717 1.00 12.24 N ATOM 712 CA ALA A 46 -2.337 -1.065 -10.527 1.00 63.12 C ATOM 713 C ALA A 46 -3.092 -2.376 -10.828 1.00 41.41 C ATOM 714 O ALA A 46 -3.210 -3.206 -9.929 1.00 53.43 O ATOM 715 CB ALA A 46 -3.136 -0.223 -9.529 1.00 63.41 C ATOM 0 H ALA A 46 -2.531 0.639 -11.727 1.00 12.24 H new ATOM 0 HA ALA A 46 -1.376 -1.365 -10.108 1.00 63.12 H new ATOM 0 HB1 ALA A 46 -3.362 -0.822 -8.646 1.00 63.41 H new ATOM 0 HB2 ALA A 46 -2.550 0.648 -9.236 1.00 63.41 H new ATOM 0 HB3 ALA A 46 -4.066 0.105 -9.992 1.00 63.41 H new ATOM 721 N PHE A 47 -3.585 -2.562 -12.083 1.00 44.01 N ATOM 722 CA PHE A 47 -4.376 -3.767 -12.491 1.00 52.51 C ATOM 723 C PHE A 47 -3.615 -5.089 -12.241 1.00 15.54 C ATOM 724 O PHE A 47 -4.227 -6.155 -12.097 1.00 3.25 O ATOM 725 CB PHE A 47 -4.802 -3.670 -13.988 1.00 40.34 C ATOM 726 CG PHE A 47 -3.683 -3.926 -15.013 1.00 70.04 C ATOM 727 CD1 PHE A 47 -2.649 -3.009 -15.197 1.00 31.35 C ATOM 728 CD2 PHE A 47 -3.672 -5.088 -15.793 1.00 62.11 C ATOM 729 CE1 PHE A 47 -1.645 -3.241 -16.118 1.00 55.24 C ATOM 730 CE2 PHE A 47 -2.667 -5.320 -16.713 1.00 30.42 C ATOM 731 CZ PHE A 47 -1.656 -4.394 -16.874 1.00 33.23 C ATOM 0 H PHE A 47 -3.449 -1.890 -12.838 1.00 44.01 H new ATOM 0 HA PHE A 47 -5.267 -3.781 -11.864 1.00 52.51 H new ATOM 0 HB2 PHE A 47 -5.605 -4.385 -14.166 1.00 40.34 H new ATOM 0 HB3 PHE A 47 -5.214 -2.677 -14.167 1.00 40.34 H new ATOM 0 HD1 PHE A 47 -2.632 -2.102 -14.610 1.00 31.35 H new ATOM 0 HD2 PHE A 47 -4.462 -5.815 -15.674 1.00 62.11 H new ATOM 0 HE1 PHE A 47 -0.852 -2.519 -16.246 1.00 55.24 H new ATOM 0 HE2 PHE A 47 -2.673 -6.224 -17.305 1.00 30.42 H new ATOM 0 HZ PHE A 47 -0.871 -4.573 -17.594 1.00 33.23 H new ATOM 741 N ARG A 48 -2.277 -4.986 -12.199 1.00 55.14 N ATOM 742 CA ARG A 48 -1.370 -6.121 -11.985 1.00 12.12 C ATOM 743 C ARG A 48 -1.477 -6.715 -10.568 1.00 5.02 C ATOM 744 O ARG A 48 -1.093 -7.863 -10.355 1.00 71.45 O ATOM 745 CB ARG A 48 0.089 -5.693 -12.271 1.00 32.11 C ATOM 746 CG ARG A 48 0.356 -5.287 -13.734 1.00 32.33 C ATOM 747 CD ARG A 48 1.852 -5.087 -14.023 1.00 43.11 C ATOM 748 NE ARG A 48 2.450 -4.025 -13.186 1.00 53.43 N ATOM 749 CZ ARG A 48 3.705 -4.031 -12.699 1.00 75.24 C ATOM 750 NH1 ARG A 48 4.535 -5.051 -12.939 1.00 2.11 N ATOM 751 NH2 ARG A 48 4.123 -3.009 -11.958 1.00 62.40 N ATOM 0 H ARG A 48 -1.789 -4.098 -12.315 1.00 55.14 H new ATOM 0 HA ARG A 48 -1.672 -6.904 -12.680 1.00 12.12 H new ATOM 0 HB2 ARG A 48 0.343 -4.855 -11.622 1.00 32.11 H new ATOM 0 HB3 ARG A 48 0.755 -6.515 -12.007 1.00 32.11 H new ATOM 0 HG2 ARG A 48 -0.040 -6.054 -14.399 1.00 32.33 H new ATOM 0 HG3 ARG A 48 -0.181 -4.365 -13.956 1.00 32.33 H new ATOM 0 HD2 ARG A 48 2.381 -6.024 -13.850 1.00 43.11 H new ATOM 0 HD3 ARG A 48 1.986 -4.835 -15.075 1.00 43.11 H new ATOM 0 HE ARG A 48 1.864 -3.222 -12.959 1.00 53.43 H new ATOM 0 HH11 ARG A 48 4.221 -5.843 -13.500 1.00 2.11 H new ATOM 0 HH12 ARG A 48 5.482 -5.037 -12.561 1.00 2.11 H new ATOM 0 HH21 ARG A 48 3.494 -2.230 -11.763 1.00 62.40 H new ATOM 0 HH22 ARG A 48 5.072 -3.004 -11.585 1.00 62.40 H new ATOM 765 N SER A 49 -1.996 -5.930 -9.614 1.00 74.32 N ATOM 766 CA SER A 49 -2.105 -6.335 -8.209 1.00 33.13 C ATOM 767 C SER A 49 -3.449 -5.841 -7.619 1.00 24.00 C ATOM 768 O SER A 49 -3.665 -4.628 -7.529 1.00 61.13 O ATOM 769 CB SER A 49 -0.908 -5.766 -7.415 1.00 43.44 C ATOM 770 OG SER A 49 0.330 -6.246 -7.930 1.00 75.41 O ATOM 0 H SER A 49 -2.353 -4.992 -9.798 1.00 74.32 H new ATOM 0 HA SER A 49 -2.084 -7.422 -8.138 1.00 33.13 H new ATOM 0 HB2 SER A 49 -0.925 -4.677 -7.459 1.00 43.44 H new ATOM 0 HB3 SER A 49 -1.000 -6.044 -6.365 1.00 43.44 H new ATOM 0 HG SER A 49 1.069 -5.868 -7.409 1.00 75.41 H new ATOM 776 N PRO A 50 -4.382 -6.771 -7.213 1.00 45.23 N ATOM 777 CA PRO A 50 -5.715 -6.397 -6.664 1.00 15.10 C ATOM 778 C PRO A 50 -5.626 -5.509 -5.407 1.00 33.10 C ATOM 779 O PRO A 50 -6.423 -4.582 -5.252 1.00 5.23 O ATOM 780 CB PRO A 50 -6.396 -7.752 -6.353 1.00 35.21 C ATOM 781 CG PRO A 50 -5.645 -8.756 -7.174 1.00 3.13 C ATOM 782 CD PRO A 50 -4.224 -8.248 -7.274 1.00 74.02 C ATOM 0 HA PRO A 50 -6.278 -5.793 -7.375 1.00 15.10 H new ATOM 0 HB2 PRO A 50 -6.339 -7.988 -5.290 1.00 35.21 H new ATOM 0 HB3 PRO A 50 -7.453 -7.734 -6.620 1.00 35.21 H new ATOM 0 HG2 PRO A 50 -5.674 -9.740 -6.706 1.00 3.13 H new ATOM 0 HG3 PRO A 50 -6.091 -8.860 -8.163 1.00 3.13 H new ATOM 0 HD2 PRO A 50 -3.606 -8.620 -6.457 1.00 74.02 H new ATOM 0 HD3 PRO A 50 -3.749 -8.563 -8.203 1.00 74.02 H new ATOM 790 N LEU A 51 -4.612 -5.770 -4.550 1.00 2.34 N ATOM 791 CA LEU A 51 -4.401 -5.001 -3.305 1.00 25.30 C ATOM 792 C LEU A 51 -4.031 -3.541 -3.626 1.00 70.34 C ATOM 793 O LEU A 51 -4.483 -2.630 -2.938 1.00 72.02 O ATOM 794 CB LEU A 51 -3.310 -5.652 -2.409 1.00 32.45 C ATOM 795 CG LEU A 51 -3.003 -4.930 -1.047 1.00 55.22 C ATOM 796 CD1 LEU A 51 -4.282 -4.719 -0.200 1.00 14.22 C ATOM 797 CD2 LEU A 51 -1.929 -5.692 -0.242 1.00 14.43 C ATOM 0 H LEU A 51 -3.926 -6.510 -4.700 1.00 2.34 H new ATOM 0 HA LEU A 51 -5.338 -5.012 -2.749 1.00 25.30 H new ATOM 0 HB2 LEU A 51 -3.612 -6.677 -2.192 1.00 32.45 H new ATOM 0 HB3 LEU A 51 -2.385 -5.707 -2.983 1.00 32.45 H new ATOM 0 HG LEU A 51 -2.610 -3.943 -1.291 1.00 55.22 H new ATOM 0 HD11 LEU A 51 -4.022 -4.217 0.732 1.00 14.22 H new ATOM 0 HD12 LEU A 51 -4.990 -4.106 -0.757 1.00 14.22 H new ATOM 0 HD13 LEU A 51 -4.735 -5.685 0.022 1.00 14.22 H new ATOM 0 HD21 LEU A 51 -1.737 -5.169 0.695 1.00 14.43 H new ATOM 0 HD22 LEU A 51 -2.282 -6.701 -0.029 1.00 14.43 H new ATOM 0 HD23 LEU A 51 -1.008 -5.745 -0.823 1.00 14.43 H new ATOM 809 N ALA A 52 -3.257 -3.342 -4.716 1.00 51.12 N ATOM 810 CA ALA A 52 -2.840 -1.995 -5.167 1.00 43.24 C ATOM 811 C ALA A 52 -4.071 -1.158 -5.546 1.00 44.14 C ATOM 812 O ALA A 52 -4.218 -0.018 -5.106 1.00 11.22 O ATOM 813 CB ALA A 52 -1.880 -2.104 -6.355 1.00 53.40 C ATOM 0 H ALA A 52 -2.907 -4.100 -5.302 1.00 51.12 H new ATOM 0 HA ALA A 52 -2.320 -1.498 -4.348 1.00 43.24 H new ATOM 0 HB1 ALA A 52 -1.582 -1.105 -6.675 1.00 53.40 H new ATOM 0 HB2 ALA A 52 -0.996 -2.668 -6.058 1.00 53.40 H new ATOM 0 HB3 ALA A 52 -2.377 -2.616 -7.179 1.00 53.40 H new ATOM 819 N ARG A 53 -4.973 -1.802 -6.309 1.00 42.52 N ATOM 820 CA ARG A 53 -6.262 -1.228 -6.761 1.00 64.02 C ATOM 821 C ARG A 53 -7.138 -0.816 -5.558 1.00 60.23 C ATOM 822 O ARG A 53 -7.748 0.260 -5.545 1.00 61.04 O ATOM 823 CB ARG A 53 -6.993 -2.293 -7.630 1.00 5.41 C ATOM 824 CG ARG A 53 -6.181 -2.755 -8.860 1.00 62.04 C ATOM 825 CD ARG A 53 -6.698 -4.054 -9.511 1.00 21.05 C ATOM 826 NE ARG A 53 -8.060 -3.942 -10.050 1.00 74.14 N ATOM 827 CZ ARG A 53 -8.684 -4.894 -10.774 1.00 51.52 C ATOM 828 NH1 ARG A 53 -8.077 -6.048 -11.074 1.00 64.34 N ATOM 829 NH2 ARG A 53 -9.918 -4.674 -11.201 1.00 22.14 N ATOM 0 H ARG A 53 -4.827 -2.756 -6.638 1.00 42.52 H new ATOM 0 HA ARG A 53 -6.076 -0.329 -7.349 1.00 64.02 H new ATOM 0 HB2 ARG A 53 -7.222 -3.160 -7.010 1.00 5.41 H new ATOM 0 HB3 ARG A 53 -7.945 -1.883 -7.967 1.00 5.41 H new ATOM 0 HG2 ARG A 53 -6.190 -1.960 -9.606 1.00 62.04 H new ATOM 0 HG3 ARG A 53 -5.143 -2.900 -8.562 1.00 62.04 H new ATOM 0 HD2 ARG A 53 -6.021 -4.342 -10.315 1.00 21.05 H new ATOM 0 HD3 ARG A 53 -6.674 -4.855 -8.772 1.00 21.05 H new ATOM 0 HE ARG A 53 -8.572 -3.080 -9.863 1.00 74.14 H new ATOM 0 HH11 ARG A 53 -7.124 -6.221 -10.754 1.00 64.34 H new ATOM 0 HH12 ARG A 53 -8.567 -6.754 -11.623 1.00 64.34 H new ATOM 0 HH21 ARG A 53 -10.384 -3.794 -10.981 1.00 22.14 H new ATOM 0 HH22 ARG A 53 -10.402 -5.385 -11.749 1.00 22.14 H new ATOM 843 N GLN A 54 -7.140 -1.689 -4.538 1.00 32.34 N ATOM 844 CA GLN A 54 -7.904 -1.504 -3.293 1.00 31.32 C ATOM 845 C GLN A 54 -7.305 -0.373 -2.417 1.00 31.44 C ATOM 846 O GLN A 54 -8.031 0.279 -1.661 1.00 44.24 O ATOM 847 CB GLN A 54 -7.932 -2.845 -2.509 1.00 22.13 C ATOM 848 CG GLN A 54 -8.725 -3.983 -3.183 1.00 43.32 C ATOM 849 CD GLN A 54 -8.466 -5.366 -2.563 1.00 0.15 C ATOM 850 OE1 GLN A 54 -8.179 -5.488 -1.370 1.00 43.04 O ATOM 851 NE2 GLN A 54 -8.566 -6.418 -3.367 1.00 43.11 N ATOM 0 H GLN A 54 -6.603 -2.556 -4.555 1.00 32.34 H new ATOM 0 HA GLN A 54 -8.921 -1.207 -3.550 1.00 31.32 H new ATOM 0 HB2 GLN A 54 -6.906 -3.180 -2.356 1.00 22.13 H new ATOM 0 HB3 GLN A 54 -8.358 -2.662 -1.522 1.00 22.13 H new ATOM 0 HG2 GLN A 54 -9.790 -3.759 -3.119 1.00 43.32 H new ATOM 0 HG3 GLN A 54 -8.469 -4.015 -4.242 1.00 43.32 H new ATOM 0 HE21 GLN A 54 -8.805 -6.288 -4.350 1.00 43.11 H new ATOM 0 HE22 GLN A 54 -8.404 -7.356 -3.002 1.00 43.11 H new ATOM 860 N LEU A 55 -5.972 -0.185 -2.505 1.00 74.13 N ATOM 861 CA LEU A 55 -5.257 0.909 -1.799 1.00 35.34 C ATOM 862 C LEU A 55 -5.490 2.274 -2.492 1.00 32.54 C ATOM 863 O LEU A 55 -5.466 3.306 -1.828 1.00 70.21 O ATOM 864 CB LEU A 55 -3.738 0.589 -1.669 1.00 41.24 C ATOM 865 CG LEU A 55 -3.362 -0.617 -0.737 1.00 11.11 C ATOM 866 CD1 LEU A 55 -1.859 -0.952 -0.830 1.00 41.23 C ATOM 867 CD2 LEU A 55 -3.777 -0.358 0.732 1.00 54.52 C ATOM 0 H LEU A 55 -5.360 -0.781 -3.063 1.00 74.13 H new ATOM 0 HA LEU A 55 -5.669 0.981 -0.792 1.00 35.34 H new ATOM 0 HB2 LEU A 55 -3.343 0.388 -2.665 1.00 41.24 H new ATOM 0 HB3 LEU A 55 -3.231 1.480 -1.299 1.00 41.24 H new ATOM 0 HG LEU A 55 -3.924 -1.481 -1.092 1.00 11.11 H new ATOM 0 HD11 LEU A 55 -1.632 -1.791 -0.173 1.00 41.23 H new ATOM 0 HD12 LEU A 55 -1.608 -1.217 -1.857 1.00 41.23 H new ATOM 0 HD13 LEU A 55 -1.273 -0.084 -0.526 1.00 41.23 H new ATOM 0 HD21 LEU A 55 -3.500 -1.216 1.345 1.00 54.52 H new ATOM 0 HD22 LEU A 55 -3.269 0.532 1.102 1.00 54.52 H new ATOM 0 HD23 LEU A 55 -4.855 -0.208 0.784 1.00 54.52 H new ATOM 879 N PHE A 56 -5.737 2.272 -3.821 1.00 4.24 N ATOM 880 CA PHE A 56 -6.104 3.510 -4.569 1.00 20.23 C ATOM 881 C PHE A 56 -7.544 3.975 -4.236 1.00 2.41 C ATOM 882 O PHE A 56 -7.881 5.144 -4.447 1.00 72.31 O ATOM 883 CB PHE A 56 -5.924 3.319 -6.105 1.00 72.15 C ATOM 884 CG PHE A 56 -4.471 3.432 -6.583 1.00 12.22 C ATOM 885 CD1 PHE A 56 -3.847 4.675 -6.650 1.00 43.02 C ATOM 886 CD2 PHE A 56 -3.735 2.315 -6.970 1.00 32.10 C ATOM 887 CE1 PHE A 56 -2.543 4.793 -7.088 1.00 4.23 C ATOM 888 CE2 PHE A 56 -2.429 2.439 -7.404 1.00 72.42 C ATOM 889 CZ PHE A 56 -1.836 3.677 -7.465 1.00 54.54 C ATOM 0 H PHE A 56 -5.691 1.434 -4.401 1.00 4.24 H new ATOM 0 HA PHE A 56 -5.421 4.295 -4.245 1.00 20.23 H new ATOM 0 HB2 PHE A 56 -6.313 2.341 -6.387 1.00 72.15 H new ATOM 0 HB3 PHE A 56 -6.526 4.064 -6.626 1.00 72.15 H new ATOM 0 HD1 PHE A 56 -4.391 5.560 -6.355 1.00 43.02 H new ATOM 0 HD2 PHE A 56 -4.192 1.337 -6.930 1.00 32.10 H new ATOM 0 HE1 PHE A 56 -2.077 5.766 -7.134 1.00 4.23 H new ATOM 0 HE2 PHE A 56 -1.873 1.560 -7.696 1.00 72.42 H new ATOM 0 HZ PHE A 56 -0.817 3.773 -7.808 1.00 54.54 H new ATOM 899 N ARG A 57 -8.371 3.054 -3.701 1.00 60.22 N ATOM 900 CA ARG A 57 -9.732 3.370 -3.192 1.00 35.52 C ATOM 901 C ARG A 57 -9.688 4.325 -1.975 1.00 13.25 C ATOM 902 O ARG A 57 -10.685 4.983 -1.654 1.00 0.10 O ATOM 903 CB ARG A 57 -10.462 2.073 -2.776 1.00 54.40 C ATOM 904 CG ARG A 57 -10.862 1.124 -3.924 1.00 13.11 C ATOM 905 CD ARG A 57 -11.502 -0.183 -3.400 1.00 45.02 C ATOM 906 NE ARG A 57 -12.553 0.070 -2.385 1.00 72.21 N ATOM 907 CZ ARG A 57 -12.496 -0.308 -1.088 1.00 40.03 C ATOM 908 NH1 ARG A 57 -11.439 -0.970 -0.618 1.00 72.24 N ATOM 909 NH2 ARG A 57 -13.491 0.009 -0.264 1.00 63.23 N ATOM 0 H ARG A 57 -8.120 2.070 -3.607 1.00 60.22 H new ATOM 0 HA ARG A 57 -10.268 3.864 -4.003 1.00 35.52 H new ATOM 0 HB2 ARG A 57 -9.822 1.525 -2.085 1.00 54.40 H new ATOM 0 HB3 ARG A 57 -11.363 2.347 -2.227 1.00 54.40 H new ATOM 0 HG2 ARG A 57 -11.564 1.631 -4.586 1.00 13.11 H new ATOM 0 HG3 ARG A 57 -9.981 0.883 -4.519 1.00 13.11 H new ATOM 0 HD2 ARG A 57 -11.933 -0.734 -4.236 1.00 45.02 H new ATOM 0 HD3 ARG A 57 -10.727 -0.816 -2.967 1.00 45.02 H new ATOM 0 HE ARG A 57 -13.388 0.570 -2.690 1.00 72.21 H new ATOM 0 HH11 ARG A 57 -10.662 -1.197 -1.239 1.00 72.24 H new ATOM 0 HH12 ARG A 57 -11.407 -1.250 0.362 1.00 72.24 H new ATOM 0 HH21 ARG A 57 -14.293 0.535 -0.611 1.00 63.23 H new ATOM 0 HH22 ARG A 57 -13.452 -0.274 0.715 1.00 63.23 H new ATOM 923 N ILE A 58 -8.528 4.381 -1.309 1.00 21.43 N ATOM 924 CA ILE A 58 -8.325 5.161 -0.080 1.00 21.43 C ATOM 925 C ILE A 58 -8.058 6.622 -0.464 1.00 71.45 C ATOM 926 O ILE A 58 -7.124 6.890 -1.237 1.00 63.33 O ATOM 927 CB ILE A 58 -7.118 4.570 0.736 1.00 21.41 C ATOM 928 CG1 ILE A 58 -7.350 3.043 0.974 1.00 14.12 C ATOM 929 CG2 ILE A 58 -6.881 5.336 2.066 1.00 25.45 C ATOM 930 CD1 ILE A 58 -6.232 2.328 1.685 1.00 44.42 C ATOM 0 H ILE A 58 -7.693 3.880 -1.612 1.00 21.43 H new ATOM 0 HA ILE A 58 -9.214 5.110 0.548 1.00 21.43 H new ATOM 0 HB ILE A 58 -6.207 4.699 0.152 1.00 21.41 H new ATOM 0 HG12 ILE A 58 -8.266 2.917 1.551 1.00 14.12 H new ATOM 0 HG13 ILE A 58 -7.512 2.562 0.010 1.00 14.12 H new ATOM 0 HG21 ILE A 58 -6.038 4.893 2.596 1.00 25.45 H new ATOM 0 HG22 ILE A 58 -6.664 6.382 1.850 1.00 25.45 H new ATOM 0 HG23 ILE A 58 -7.774 5.271 2.687 1.00 25.45 H new ATOM 0 HD11 ILE A 58 -6.489 1.275 1.801 1.00 44.42 H new ATOM 0 HD12 ILE A 58 -5.315 2.415 1.102 1.00 44.42 H new ATOM 0 HD13 ILE A 58 -6.081 2.775 2.667 1.00 44.42 H new ATOM 942 N GLU A 59 -8.894 7.544 0.052 1.00 51.34 N ATOM 943 CA GLU A 59 -8.803 8.981 -0.252 1.00 43.23 C ATOM 944 C GLU A 59 -7.439 9.549 0.191 1.00 3.30 C ATOM 945 O GLU A 59 -7.144 9.611 1.388 1.00 45.13 O ATOM 946 CB GLU A 59 -9.963 9.760 0.432 1.00 61.44 C ATOM 947 CG GLU A 59 -11.378 9.371 -0.040 1.00 63.44 C ATOM 948 CD GLU A 59 -12.485 10.224 0.606 1.00 55.33 C ATOM 949 OE1 GLU A 59 -12.744 11.350 0.125 1.00 13.35 O ATOM 950 OE2 GLU A 59 -13.092 9.785 1.607 1.00 33.00 O ATOM 0 H GLU A 59 -9.652 7.310 0.693 1.00 51.34 H new ATOM 0 HA GLU A 59 -8.892 9.105 -1.331 1.00 43.23 H new ATOM 0 HB2 GLU A 59 -9.900 9.603 1.509 1.00 61.44 H new ATOM 0 HB3 GLU A 59 -9.818 10.826 0.256 1.00 61.44 H new ATOM 0 HG2 GLU A 59 -11.434 9.473 -1.124 1.00 63.44 H new ATOM 0 HG3 GLU A 59 -11.556 8.321 0.190 1.00 63.44 H new ATOM 957 N GLY A 60 -6.607 9.921 -0.792 1.00 54.20 N ATOM 958 CA GLY A 60 -5.314 10.549 -0.535 1.00 30.02 C ATOM 959 C GLY A 60 -4.119 9.729 -0.979 1.00 32.25 C ATOM 960 O GLY A 60 -2.988 10.112 -0.690 1.00 61.04 O ATOM 0 H GLY A 60 -6.815 9.793 -1.782 1.00 54.20 H new ATOM 0 HA2 GLY A 60 -5.285 11.514 -1.042 1.00 30.02 H new ATOM 0 HA3 GLY A 60 -5.226 10.747 0.533 1.00 30.02 H new ATOM 964 N VAL A 61 -4.350 8.604 -1.671 1.00 24.34 N ATOM 965 CA VAL A 61 -3.264 7.764 -2.210 1.00 50.22 C ATOM 966 C VAL A 61 -2.915 8.195 -3.649 1.00 31.50 C ATOM 967 O VAL A 61 -3.742 8.088 -4.565 1.00 0.14 O ATOM 968 CB VAL A 61 -3.636 6.232 -2.148 1.00 4.54 C ATOM 969 CG1 VAL A 61 -2.584 5.337 -2.854 1.00 55.23 C ATOM 970 CG2 VAL A 61 -3.842 5.793 -0.675 1.00 75.44 C ATOM 0 H VAL A 61 -5.285 8.251 -1.873 1.00 24.34 H new ATOM 0 HA VAL A 61 -2.382 7.908 -1.585 1.00 50.22 H new ATOM 0 HB VAL A 61 -4.571 6.099 -2.693 1.00 4.54 H new ATOM 0 HG11 VAL A 61 -2.888 4.293 -2.782 1.00 55.23 H new ATOM 0 HG12 VAL A 61 -2.509 5.622 -3.903 1.00 55.23 H new ATOM 0 HG13 VAL A 61 -1.614 5.467 -2.373 1.00 55.23 H new ATOM 0 HG21 VAL A 61 -4.098 4.734 -0.643 1.00 75.44 H new ATOM 0 HG22 VAL A 61 -2.923 5.961 -0.113 1.00 75.44 H new ATOM 0 HG23 VAL A 61 -4.650 6.375 -0.231 1.00 75.44 H new ATOM 980 N LYS A 62 -1.683 8.704 -3.809 1.00 44.04 N ATOM 981 CA LYS A 62 -1.100 9.068 -5.113 1.00 1.05 C ATOM 982 C LYS A 62 -0.636 7.818 -5.865 1.00 14.05 C ATOM 983 O LYS A 62 -0.880 7.672 -7.066 1.00 51.15 O ATOM 984 CB LYS A 62 0.104 10.033 -4.912 1.00 71.10 C ATOM 985 CG LYS A 62 0.932 10.340 -6.185 1.00 44.42 C ATOM 986 CD LYS A 62 0.123 11.065 -7.303 1.00 14.44 C ATOM 987 CE LYS A 62 0.274 12.592 -7.297 1.00 0.35 C ATOM 988 NZ LYS A 62 -0.261 13.204 -6.062 1.00 12.44 N ATOM 0 H LYS A 62 -1.054 8.877 -3.025 1.00 44.04 H new ATOM 0 HA LYS A 62 -1.869 9.568 -5.702 1.00 1.05 H new ATOM 0 HB2 LYS A 62 -0.270 10.973 -4.507 1.00 71.10 H new ATOM 0 HB3 LYS A 62 0.769 9.605 -4.162 1.00 71.10 H new ATOM 0 HG2 LYS A 62 1.787 10.957 -5.910 1.00 44.42 H new ATOM 0 HG3 LYS A 62 1.328 9.406 -6.584 1.00 44.42 H new ATOM 0 HD2 LYS A 62 0.442 10.683 -8.273 1.00 14.44 H new ATOM 0 HD3 LYS A 62 -0.932 10.815 -7.193 1.00 14.44 H new ATOM 0 HE2 LYS A 62 1.328 12.851 -7.401 1.00 0.35 H new ATOM 0 HE3 LYS A 62 -0.244 13.009 -8.161 1.00 0.35 H new ATOM 0 HZ1 LYS A 62 -0.405 14.223 -6.214 1.00 12.44 H new ATOM 0 HZ2 LYS A 62 -1.169 12.759 -5.819 1.00 12.44 H new ATOM 0 HZ3 LYS A 62 0.414 13.062 -5.284 1.00 12.44 H new ATOM 1002 N SER A 63 0.041 6.924 -5.144 1.00 10.30 N ATOM 1003 CA SER A 63 0.684 5.756 -5.742 1.00 55.34 C ATOM 1004 C SER A 63 0.916 4.671 -4.690 1.00 42.25 C ATOM 1005 O SER A 63 0.921 4.947 -3.480 1.00 40.15 O ATOM 1006 CB SER A 63 2.009 6.166 -6.435 1.00 1.53 C ATOM 1007 OG SER A 63 2.894 6.802 -5.534 1.00 1.32 O ATOM 0 H SER A 63 0.158 6.989 -4.133 1.00 10.30 H new ATOM 0 HA SER A 63 0.022 5.342 -6.502 1.00 55.34 H new ATOM 0 HB2 SER A 63 2.489 5.282 -6.854 1.00 1.53 H new ATOM 0 HB3 SER A 63 1.793 6.836 -7.267 1.00 1.53 H new ATOM 0 HG SER A 63 3.719 7.045 -6.003 1.00 1.32 H new ATOM 1013 N VAL A 64 1.087 3.434 -5.176 1.00 52.21 N ATOM 1014 CA VAL A 64 1.329 2.243 -4.350 1.00 20.40 C ATOM 1015 C VAL A 64 2.633 1.576 -4.812 1.00 41.13 C ATOM 1016 O VAL A 64 2.807 1.303 -6.000 1.00 73.22 O ATOM 1017 CB VAL A 64 0.133 1.219 -4.453 1.00 54.33 C ATOM 1018 CG1 VAL A 64 0.430 -0.094 -3.691 1.00 63.24 C ATOM 1019 CG2 VAL A 64 -1.189 1.860 -3.966 1.00 23.42 C ATOM 0 H VAL A 64 1.060 3.229 -6.175 1.00 52.21 H new ATOM 0 HA VAL A 64 1.412 2.549 -3.307 1.00 20.40 H new ATOM 0 HB VAL A 64 0.017 0.960 -5.506 1.00 54.33 H new ATOM 0 HG11 VAL A 64 -0.419 -0.771 -3.788 1.00 63.24 H new ATOM 0 HG12 VAL A 64 1.319 -0.565 -4.110 1.00 63.24 H new ATOM 0 HG13 VAL A 64 0.599 0.127 -2.637 1.00 63.24 H new ATOM 0 HG21 VAL A 64 -1.997 1.133 -4.047 1.00 23.42 H new ATOM 0 HG22 VAL A 64 -1.082 2.169 -2.926 1.00 23.42 H new ATOM 0 HG23 VAL A 64 -1.420 2.730 -4.581 1.00 23.42 H new ATOM 1029 N PHE A 65 3.534 1.311 -3.863 1.00 0.00 N ATOM 1030 CA PHE A 65 4.807 0.627 -4.113 1.00 55.21 C ATOM 1031 C PHE A 65 4.859 -0.602 -3.198 1.00 30.34 C ATOM 1032 O PHE A 65 4.826 -0.463 -1.971 1.00 2.33 O ATOM 1033 CB PHE A 65 6.006 1.579 -3.826 1.00 10.31 C ATOM 1034 CG PHE A 65 7.391 0.931 -3.964 1.00 61.11 C ATOM 1035 CD1 PHE A 65 7.958 0.718 -5.221 1.00 44.14 C ATOM 1036 CD2 PHE A 65 8.124 0.532 -2.839 1.00 22.13 C ATOM 1037 CE1 PHE A 65 9.206 0.134 -5.351 1.00 11.43 C ATOM 1038 CE2 PHE A 65 9.372 -0.053 -2.973 1.00 5.44 C ATOM 1039 CZ PHE A 65 9.910 -0.251 -4.227 1.00 12.22 C ATOM 0 H PHE A 65 3.399 1.569 -2.885 1.00 0.00 H new ATOM 0 HA PHE A 65 4.878 0.324 -5.158 1.00 55.21 H new ATOM 0 HB2 PHE A 65 5.948 2.428 -4.507 1.00 10.31 H new ATOM 0 HB3 PHE A 65 5.904 1.974 -2.815 1.00 10.31 H new ATOM 0 HD1 PHE A 65 7.415 1.013 -6.106 1.00 44.14 H new ATOM 0 HD2 PHE A 65 7.710 0.683 -1.853 1.00 22.13 H new ATOM 0 HE1 PHE A 65 9.630 -0.021 -6.332 1.00 11.43 H new ATOM 0 HE2 PHE A 65 9.924 -0.354 -2.095 1.00 5.44 H new ATOM 0 HZ PHE A 65 10.883 -0.708 -4.330 1.00 12.22 H new ATOM 1049 N PHE A 66 4.899 -1.798 -3.790 1.00 12.11 N ATOM 1050 CA PHE A 66 5.114 -3.040 -3.036 1.00 1.04 C ATOM 1051 C PHE A 66 6.612 -3.377 -3.047 1.00 73.02 C ATOM 1052 O PHE A 66 7.276 -3.288 -4.086 1.00 33.31 O ATOM 1053 CB PHE A 66 4.300 -4.218 -3.624 1.00 21.55 C ATOM 1054 CG PHE A 66 2.780 -4.096 -3.516 1.00 12.33 C ATOM 1055 CD1 PHE A 66 2.175 -3.653 -2.341 1.00 61.42 C ATOM 1056 CD2 PHE A 66 1.955 -4.438 -4.587 1.00 55.11 C ATOM 1057 CE1 PHE A 66 0.798 -3.555 -2.242 1.00 3.03 C ATOM 1058 CE2 PHE A 66 0.578 -4.338 -4.481 1.00 55.11 C ATOM 1059 CZ PHE A 66 0.003 -3.899 -3.311 1.00 31.33 C ATOM 0 H PHE A 66 4.785 -1.935 -4.794 1.00 12.11 H new ATOM 0 HA PHE A 66 4.769 -2.887 -2.013 1.00 1.04 H new ATOM 0 HB2 PHE A 66 4.563 -4.327 -4.676 1.00 21.55 H new ATOM 0 HB3 PHE A 66 4.609 -5.135 -3.122 1.00 21.55 H new ATOM 0 HD1 PHE A 66 2.790 -3.382 -1.495 1.00 61.42 H new ATOM 0 HD2 PHE A 66 2.395 -4.785 -5.510 1.00 55.11 H new ATOM 0 HE1 PHE A 66 0.347 -3.208 -1.324 1.00 3.03 H new ATOM 0 HE2 PHE A 66 -0.047 -4.606 -5.320 1.00 55.11 H new ATOM 0 HZ PHE A 66 -1.071 -3.824 -3.232 1.00 31.33 H new ATOM 1069 N GLY A 67 7.109 -3.734 -1.869 1.00 51.45 N ATOM 1070 CA GLY A 67 8.501 -4.087 -1.636 1.00 15.21 C ATOM 1071 C GLY A 67 8.621 -5.401 -0.863 1.00 40.54 C ATOM 1072 O GLY A 67 7.592 -6.024 -0.558 1.00 34.32 O ATOM 0 H GLY A 67 6.537 -3.787 -1.026 1.00 51.45 H new ATOM 0 HA2 GLY A 67 9.020 -4.176 -2.590 1.00 15.21 H new ATOM 0 HA3 GLY A 67 8.992 -3.289 -1.079 1.00 15.21 H new ATOM 1076 N PRO A 68 9.868 -5.879 -0.567 1.00 42.41 N ATOM 1077 CA PRO A 68 10.088 -7.133 0.188 1.00 45.44 C ATOM 1078 C PRO A 68 9.447 -7.084 1.594 1.00 13.13 C ATOM 1079 O PRO A 68 9.949 -6.389 2.490 1.00 22.42 O ATOM 1080 CB PRO A 68 11.635 -7.267 0.234 1.00 42.53 C ATOM 1081 CG PRO A 68 12.160 -5.883 -0.021 1.00 74.21 C ATOM 1082 CD PRO A 68 11.152 -5.228 -0.940 1.00 3.31 C ATOM 0 HA PRO A 68 9.616 -7.997 -0.280 1.00 45.44 H new ATOM 0 HB2 PRO A 68 11.969 -7.642 1.201 1.00 42.53 H new ATOM 0 HB3 PRO A 68 11.992 -7.968 -0.520 1.00 42.53 H new ATOM 0 HG2 PRO A 68 12.262 -5.325 0.910 1.00 74.21 H new ATOM 0 HG3 PRO A 68 13.147 -5.917 -0.482 1.00 74.21 H new ATOM 0 HD2 PRO A 68 11.114 -4.149 -0.790 1.00 3.31 H new ATOM 0 HD3 PRO A 68 11.397 -5.395 -1.989 1.00 3.31 H new ATOM 1090 N ASP A 69 8.267 -7.748 1.717 1.00 75.25 N ATOM 1091 CA ASP A 69 7.526 -7.926 2.997 1.00 11.21 C ATOM 1092 C ASP A 69 6.937 -6.582 3.517 1.00 40.53 C ATOM 1093 O ASP A 69 6.423 -6.497 4.634 1.00 51.31 O ATOM 1094 CB ASP A 69 8.453 -8.636 4.048 1.00 33.22 C ATOM 1095 CG ASP A 69 7.774 -9.001 5.387 1.00 11.34 C ATOM 1096 OD1 ASP A 69 7.019 -9.987 5.429 1.00 10.32 O ATOM 1097 OD2 ASP A 69 8.040 -8.333 6.410 1.00 73.40 O ATOM 0 H ASP A 69 7.797 -8.180 0.921 1.00 75.25 H new ATOM 0 HA ASP A 69 6.665 -8.571 2.822 1.00 11.21 H new ATOM 0 HB2 ASP A 69 8.850 -9.547 3.601 1.00 33.22 H new ATOM 0 HB3 ASP A 69 9.303 -7.986 4.256 1.00 33.22 H new ATOM 1102 N SER A 70 6.932 -5.551 2.654 1.00 1.40 N ATOM 1103 CA SER A 70 6.563 -4.176 3.039 1.00 44.01 C ATOM 1104 C SER A 70 5.739 -3.500 1.926 1.00 22.43 C ATOM 1105 O SER A 70 5.909 -3.814 0.751 1.00 53.25 O ATOM 1106 CB SER A 70 7.854 -3.384 3.331 1.00 33.30 C ATOM 1107 OG SER A 70 8.741 -3.409 2.221 1.00 25.41 O ATOM 0 H SER A 70 7.183 -5.647 1.670 1.00 1.40 H new ATOM 0 HA SER A 70 5.941 -4.198 3.934 1.00 44.01 H new ATOM 0 HB2 SER A 70 7.602 -2.352 3.574 1.00 33.30 H new ATOM 0 HB3 SER A 70 8.351 -3.805 4.205 1.00 33.30 H new ATOM 0 HG SER A 70 9.202 -4.273 2.190 1.00 25.41 H new ATOM 1113 N ILE A 71 4.829 -2.588 2.316 1.00 11.15 N ATOM 1114 CA ILE A 71 3.959 -1.836 1.379 1.00 2.21 C ATOM 1115 C ILE A 71 4.133 -0.331 1.637 1.00 20.12 C ATOM 1116 O ILE A 71 3.589 0.195 2.605 1.00 73.34 O ATOM 1117 CB ILE A 71 2.437 -2.229 1.584 1.00 41.15 C ATOM 1118 CG1 ILE A 71 2.231 -3.763 1.386 1.00 35.15 C ATOM 1119 CG2 ILE A 71 1.500 -1.404 0.660 1.00 41.22 C ATOM 1120 CD1 ILE A 71 0.826 -4.263 1.669 1.00 1.40 C ATOM 0 H ILE A 71 4.672 -2.347 3.295 1.00 11.15 H new ATOM 0 HA ILE A 71 4.246 -2.083 0.357 1.00 2.21 H new ATOM 0 HB ILE A 71 2.166 -1.983 2.611 1.00 41.15 H new ATOM 0 HG12 ILE A 71 2.492 -4.020 0.359 1.00 35.15 H new ATOM 0 HG13 ILE A 71 2.927 -4.295 2.035 1.00 35.15 H new ATOM 0 HG21 ILE A 71 0.466 -1.703 0.830 1.00 41.22 H new ATOM 0 HG22 ILE A 71 1.612 -0.343 0.882 1.00 41.22 H new ATOM 0 HG23 ILE A 71 1.763 -1.587 -0.382 1.00 41.22 H new ATOM 0 HD11 ILE A 71 0.783 -5.340 1.504 1.00 1.40 H new ATOM 0 HD12 ILE A 71 0.563 -4.044 2.704 1.00 1.40 H new ATOM 0 HD13 ILE A 71 0.122 -3.765 1.003 1.00 1.40 H new ATOM 1132 N THR A 72 4.872 0.368 0.772 1.00 51.31 N ATOM 1133 CA THR A 72 5.109 1.808 0.919 1.00 3.30 C ATOM 1134 C THR A 72 4.067 2.565 0.073 1.00 21.33 C ATOM 1135 O THR A 72 4.012 2.396 -1.146 1.00 73.12 O ATOM 1136 CB THR A 72 6.565 2.171 0.470 1.00 53.21 C ATOM 1137 OG1 THR A 72 7.503 1.367 1.213 1.00 2.43 O ATOM 1138 CG2 THR A 72 6.894 3.666 0.671 1.00 41.22 C ATOM 0 H THR A 72 5.321 -0.044 -0.046 1.00 51.31 H new ATOM 0 HA THR A 72 5.006 2.097 1.965 1.00 3.30 H new ATOM 0 HB THR A 72 6.640 1.966 -0.598 1.00 53.21 H new ATOM 0 HG1 THR A 72 8.416 1.589 0.935 1.00 2.43 H new ATOM 0 HG21 THR A 72 7.915 3.861 0.343 1.00 41.22 H new ATOM 0 HG22 THR A 72 6.203 4.273 0.086 1.00 41.22 H new ATOM 0 HG23 THR A 72 6.796 3.921 1.726 1.00 41.22 H new ATOM 1146 N VAL A 73 3.233 3.376 0.737 1.00 1.11 N ATOM 1147 CA VAL A 73 2.172 4.168 0.090 1.00 14.44 C ATOM 1148 C VAL A 73 2.658 5.626 -0.003 1.00 45.42 C ATOM 1149 O VAL A 73 3.334 6.108 0.912 1.00 4.21 O ATOM 1150 CB VAL A 73 0.822 4.093 0.918 1.00 3.45 C ATOM 1151 CG1 VAL A 73 -0.296 4.949 0.279 1.00 23.44 C ATOM 1152 CG2 VAL A 73 0.357 2.624 1.108 1.00 43.20 C ATOM 0 H VAL A 73 3.274 3.504 1.748 1.00 1.11 H new ATOM 0 HA VAL A 73 1.969 3.769 -0.904 1.00 14.44 H new ATOM 0 HB VAL A 73 1.029 4.511 1.903 1.00 3.45 H new ATOM 0 HG11 VAL A 73 -1.203 4.869 0.878 1.00 23.44 H new ATOM 0 HG12 VAL A 73 0.022 5.991 0.239 1.00 23.44 H new ATOM 0 HG13 VAL A 73 -0.496 4.591 -0.731 1.00 23.44 H new ATOM 0 HG21 VAL A 73 -0.571 2.607 1.680 1.00 43.20 H new ATOM 0 HG22 VAL A 73 0.191 2.166 0.133 1.00 43.20 H new ATOM 0 HG23 VAL A 73 1.124 2.066 1.645 1.00 43.20 H new ATOM 1162 N THR A 74 2.345 6.311 -1.111 1.00 2.01 N ATOM 1163 CA THR A 74 2.635 7.742 -1.282 1.00 34.42 C ATOM 1164 C THR A 74 1.310 8.520 -1.268 1.00 1.33 C ATOM 1165 O THR A 74 0.315 8.068 -1.853 1.00 20.14 O ATOM 1166 CB THR A 74 3.413 7.999 -2.615 1.00 21.43 C ATOM 1167 OG1 THR A 74 4.604 7.187 -2.645 1.00 41.55 O ATOM 1168 CG2 THR A 74 3.799 9.480 -2.803 1.00 61.52 C ATOM 0 H THR A 74 1.883 5.888 -1.916 1.00 2.01 H new ATOM 0 HA THR A 74 3.269 8.083 -0.463 1.00 34.42 H new ATOM 0 HB THR A 74 2.745 7.730 -3.433 1.00 21.43 H new ATOM 0 HG1 THR A 74 5.089 7.348 -3.481 1.00 41.55 H new ATOM 0 HG21 THR A 74 4.336 9.599 -3.744 1.00 61.52 H new ATOM 0 HG22 THR A 74 2.897 10.092 -2.820 1.00 61.52 H new ATOM 0 HG23 THR A 74 4.437 9.797 -1.978 1.00 61.52 H new ATOM 1176 N LYS A 75 1.307 9.672 -0.578 1.00 51.14 N ATOM 1177 CA LYS A 75 0.133 10.556 -0.462 1.00 2.12 C ATOM 1178 C LYS A 75 0.033 11.478 -1.695 1.00 51.24 C ATOM 1179 O LYS A 75 1.035 11.700 -2.390 1.00 0.42 O ATOM 1180 CB LYS A 75 0.240 11.409 0.835 1.00 11.24 C ATOM 1181 CG LYS A 75 1.430 12.399 0.833 1.00 22.11 C ATOM 1182 CD LYS A 75 1.596 13.188 2.151 1.00 60.04 C ATOM 1183 CE LYS A 75 1.899 12.302 3.360 1.00 34.30 C ATOM 1184 NZ LYS A 75 2.341 13.106 4.533 1.00 73.22 N ATOM 0 H LYS A 75 2.126 10.020 -0.080 1.00 51.14 H new ATOM 0 HA LYS A 75 -0.766 9.942 -0.412 1.00 2.12 H new ATOM 0 HB2 LYS A 75 -0.686 11.968 0.969 1.00 11.24 H new ATOM 0 HB3 LYS A 75 0.336 10.741 1.691 1.00 11.24 H new ATOM 0 HG2 LYS A 75 2.348 11.846 0.635 1.00 22.11 H new ATOM 0 HG3 LYS A 75 1.300 13.105 0.013 1.00 22.11 H new ATOM 0 HD2 LYS A 75 2.401 13.913 2.032 1.00 60.04 H new ATOM 0 HD3 LYS A 75 0.684 13.753 2.344 1.00 60.04 H new ATOM 0 HE2 LYS A 75 1.010 11.730 3.625 1.00 34.30 H new ATOM 0 HE3 LYS A 75 2.675 11.582 3.099 1.00 34.30 H new ATOM 0 HZ1 LYS A 75 2.745 12.475 5.254 1.00 73.22 H new ATOM 0 HZ2 LYS A 75 3.061 13.793 4.232 1.00 73.22 H new ATOM 0 HZ3 LYS A 75 1.526 13.613 4.934 1.00 73.22 H new ATOM 1198 N GLU A 76 -1.182 12.001 -1.950 1.00 55.43 N ATOM 1199 CA GLU A 76 -1.458 12.956 -3.047 1.00 52.24 C ATOM 1200 C GLU A 76 -0.604 14.236 -2.903 1.00 43.20 C ATOM 1201 O GLU A 76 0.305 14.485 -3.708 1.00 15.30 O ATOM 1202 CB GLU A 76 -2.987 13.286 -3.081 1.00 40.45 C ATOM 1203 CG GLU A 76 -3.859 12.230 -3.803 1.00 35.31 C ATOM 1204 CD GLU A 76 -3.826 12.382 -5.332 1.00 21.02 C ATOM 1205 OE1 GLU A 76 -2.933 11.804 -5.981 1.00 62.43 O ATOM 1206 OE2 GLU A 76 -4.682 13.100 -5.890 1.00 50.10 O ATOM 0 H GLU A 76 -2.008 11.772 -1.397 1.00 55.43 H new ATOM 0 HA GLU A 76 -1.180 12.496 -3.995 1.00 52.24 H new ATOM 0 HB2 GLU A 76 -3.345 13.395 -2.057 1.00 40.45 H new ATOM 0 HB3 GLU A 76 -3.126 14.250 -3.571 1.00 40.45 H new ATOM 0 HG2 GLU A 76 -3.513 11.232 -3.533 1.00 35.31 H new ATOM 0 HG3 GLU A 76 -4.889 12.315 -3.455 1.00 35.31 H new ATOM 1213 N ASN A 77 -0.884 15.012 -1.859 1.00 54.24 N ATOM 1214 CA ASN A 77 -0.153 16.253 -1.541 1.00 64.00 C ATOM 1215 C ASN A 77 0.392 16.146 -0.112 1.00 22.34 C ATOM 1216 O ASN A 77 -0.162 15.406 0.713 1.00 72.30 O ATOM 1217 CB ASN A 77 -1.064 17.507 -1.704 1.00 33.41 C ATOM 1218 CG ASN A 77 -2.267 17.535 -0.751 1.00 40.00 C ATOM 1219 OD1 ASN A 77 -2.819 16.505 -0.387 1.00 62.24 O ATOM 1220 ND2 ASN A 77 -2.690 18.716 -0.351 1.00 64.12 N ATOM 0 H ASN A 77 -1.632 14.802 -1.198 1.00 54.24 H new ATOM 0 HA ASN A 77 0.675 16.375 -2.240 1.00 64.00 H new ATOM 0 HB2 ASN A 77 -0.464 18.402 -1.541 1.00 33.41 H new ATOM 0 HB3 ASN A 77 -1.427 17.549 -2.731 1.00 33.41 H new ATOM 0 HD21 ASN A 77 -3.493 18.785 0.275 1.00 64.12 H new ATOM 0 HD22 ASN A 77 -2.215 19.562 -0.667 1.00 64.12 H new ATOM 1227 N GLU A 78 1.441 16.934 0.172 1.00 71.15 N ATOM 1228 CA GLU A 78 2.226 16.862 1.431 1.00 51.44 C ATOM 1229 C GLU A 78 1.405 17.291 2.670 1.00 51.13 C ATOM 1230 O GLU A 78 1.788 16.989 3.809 1.00 61.23 O ATOM 1231 CB GLU A 78 3.513 17.728 1.300 1.00 1.21 C ATOM 1232 CG GLU A 78 4.326 17.435 0.027 1.00 13.35 C ATOM 1233 CD GLU A 78 5.648 18.218 -0.053 1.00 62.13 C ATOM 1234 OE1 GLU A 78 5.623 19.406 -0.438 1.00 71.11 O ATOM 1235 OE2 GLU A 78 6.718 17.649 0.268 1.00 12.21 O ATOM 0 H GLU A 78 1.778 17.651 -0.470 1.00 71.15 H new ATOM 0 HA GLU A 78 2.501 15.819 1.586 1.00 51.44 H new ATOM 0 HB2 GLU A 78 3.234 18.782 1.308 1.00 1.21 H new ATOM 0 HB3 GLU A 78 4.145 17.559 2.172 1.00 1.21 H new ATOM 0 HG2 GLU A 78 4.542 16.368 -0.018 1.00 13.35 H new ATOM 0 HG3 GLU A 78 3.718 17.674 -0.845 1.00 13.35 H new ATOM 1242 N GLU A 79 0.267 17.963 2.418 1.00 24.11 N ATOM 1243 CA GLU A 79 -0.627 18.500 3.462 1.00 1.24 C ATOM 1244 C GLU A 79 -1.440 17.371 4.157 1.00 64.14 C ATOM 1245 O GLU A 79 -1.953 17.557 5.270 1.00 71.00 O ATOM 1246 CB GLU A 79 -1.553 19.581 2.827 1.00 32.12 C ATOM 1247 CG GLU A 79 -2.491 20.333 3.805 1.00 40.43 C ATOM 1248 CD GLU A 79 -1.746 21.073 4.935 1.00 60.32 C ATOM 1249 OE1 GLU A 79 -1.099 22.109 4.654 1.00 73.42 O ATOM 1250 OE2 GLU A 79 -1.805 20.632 6.107 1.00 63.22 O ATOM 0 H GLU A 79 -0.062 18.151 1.471 1.00 24.11 H new ATOM 0 HA GLU A 79 -0.028 18.965 4.245 1.00 1.24 H new ATOM 0 HB2 GLU A 79 -0.927 20.315 2.320 1.00 32.12 H new ATOM 0 HB3 GLU A 79 -2.166 19.102 2.063 1.00 32.12 H new ATOM 0 HG2 GLU A 79 -3.086 21.052 3.243 1.00 40.43 H new ATOM 0 HG3 GLU A 79 -3.187 19.620 4.247 1.00 40.43 H new ATOM 1257 N LEU A 80 -1.536 16.197 3.502 1.00 23.03 N ATOM 1258 CA LEU A 80 -2.236 15.021 4.057 1.00 25.24 C ATOM 1259 C LEU A 80 -1.443 14.405 5.215 1.00 44.11 C ATOM 1260 O LEU A 80 -0.240 14.147 5.094 1.00 0.32 O ATOM 1261 CB LEU A 80 -2.465 13.955 2.958 1.00 33.52 C ATOM 1262 CG LEU A 80 -3.460 14.354 1.834 1.00 72.54 C ATOM 1263 CD1 LEU A 80 -3.404 13.348 0.679 1.00 65.50 C ATOM 1264 CD2 LEU A 80 -4.902 14.506 2.373 1.00 22.45 C ATOM 0 H LEU A 80 -1.133 16.037 2.579 1.00 23.03 H new ATOM 0 HA LEU A 80 -3.201 15.358 4.435 1.00 25.24 H new ATOM 0 HB2 LEU A 80 -1.504 13.718 2.501 1.00 33.52 H new ATOM 0 HB3 LEU A 80 -2.827 13.042 3.432 1.00 33.52 H new ATOM 0 HG LEU A 80 -3.155 15.329 1.453 1.00 72.54 H new ATOM 0 HD11 LEU A 80 -4.108 13.646 -0.098 1.00 65.50 H new ATOM 0 HD12 LEU A 80 -2.396 13.325 0.265 1.00 65.50 H new ATOM 0 HD13 LEU A 80 -3.668 12.356 1.047 1.00 65.50 H new ATOM 0 HD21 LEU A 80 -5.568 14.786 1.557 1.00 22.45 H new ATOM 0 HD22 LEU A 80 -5.232 13.560 2.802 1.00 22.45 H new ATOM 0 HD23 LEU A 80 -4.924 15.280 3.140 1.00 22.45 H new ATOM 1276 N ASP A 81 -2.132 14.199 6.334 1.00 53.13 N ATOM 1277 CA ASP A 81 -1.588 13.495 7.503 1.00 54.41 C ATOM 1278 C ASP A 81 -1.860 11.989 7.347 1.00 40.35 C ATOM 1279 O ASP A 81 -2.956 11.608 6.924 1.00 21.13 O ATOM 1280 CB ASP A 81 -2.238 14.050 8.796 1.00 24.51 C ATOM 1281 CG ASP A 81 -1.633 13.457 10.080 1.00 13.22 C ATOM 1282 OD1 ASP A 81 -0.534 13.896 10.488 1.00 15.22 O ATOM 1283 OD2 ASP A 81 -2.234 12.543 10.674 1.00 31.43 O ATOM 0 H ASP A 81 -3.093 14.517 6.461 1.00 53.13 H new ATOM 0 HA ASP A 81 -0.512 13.653 7.573 1.00 54.41 H new ATOM 0 HB2 ASP A 81 -2.125 15.134 8.816 1.00 24.51 H new ATOM 0 HB3 ASP A 81 -3.308 13.841 8.776 1.00 24.51 H new ATOM 1288 N TRP A 82 -0.870 11.147 7.705 1.00 13.01 N ATOM 1289 CA TRP A 82 -0.949 9.683 7.487 1.00 25.41 C ATOM 1290 C TRP A 82 -2.043 9.008 8.332 1.00 10.21 C ATOM 1291 O TRP A 82 -2.629 8.040 7.871 1.00 65.23 O ATOM 1292 CB TRP A 82 0.426 8.976 7.701 1.00 74.32 C ATOM 1293 CG TRP A 82 1.339 9.065 6.496 1.00 22.45 C ATOM 1294 CD1 TRP A 82 2.569 9.655 6.413 1.00 42.03 C ATOM 1295 CD2 TRP A 82 1.065 8.535 5.187 1.00 72.21 C ATOM 1296 NE1 TRP A 82 3.064 9.543 5.139 1.00 61.11 N ATOM 1297 CE2 TRP A 82 2.158 8.859 4.368 1.00 71.05 C ATOM 1298 CE3 TRP A 82 -0.008 7.828 4.627 1.00 50.02 C ATOM 1299 CZ2 TRP A 82 2.217 8.497 3.029 1.00 63.15 C ATOM 1300 CZ3 TRP A 82 0.054 7.468 3.296 1.00 22.15 C ATOM 1301 CH2 TRP A 82 1.156 7.811 2.509 1.00 0.54 C ATOM 0 H TRP A 82 -0.004 11.454 8.147 1.00 13.01 H new ATOM 0 HA TRP A 82 -1.229 9.563 6.441 1.00 25.41 H new ATOM 0 HB2 TRP A 82 0.926 9.422 8.561 1.00 74.32 H new ATOM 0 HB3 TRP A 82 0.254 7.927 7.941 1.00 74.32 H new ATOM 0 HD1 TRP A 82 3.078 10.140 7.233 1.00 42.03 H new ATOM 0 HE1 TRP A 82 3.960 9.909 4.817 1.00 61.11 H new ATOM 0 HE3 TRP A 82 -0.868 7.569 5.227 1.00 50.02 H new ATOM 0 HZ2 TRP A 82 3.072 8.749 2.419 1.00 63.15 H new ATOM 0 HZ3 TRP A 82 -0.762 6.913 2.856 1.00 22.15 H new ATOM 0 HH2 TRP A 82 1.170 7.528 1.467 1.00 0.54 H new ATOM 1312 N ASN A 83 -2.344 9.557 9.525 1.00 54.22 N ATOM 1313 CA ASN A 83 -3.350 8.977 10.463 1.00 24.13 C ATOM 1314 C ASN A 83 -4.777 8.965 9.870 1.00 75.22 C ATOM 1315 O ASN A 83 -5.653 8.283 10.398 1.00 23.31 O ATOM 1316 CB ASN A 83 -3.332 9.688 11.843 1.00 21.13 C ATOM 1317 CG ASN A 83 -2.035 9.435 12.608 1.00 31.23 C ATOM 1318 OD1 ASN A 83 -1.934 8.492 13.397 1.00 52.04 O ATOM 1319 ND2 ASN A 83 -1.025 10.255 12.367 1.00 2.31 N ATOM 0 H ASN A 83 -1.905 10.410 9.873 1.00 54.22 H new ATOM 0 HA ASN A 83 -3.056 7.939 10.616 1.00 24.13 H new ATOM 0 HB2 ASN A 83 -3.463 10.760 11.698 1.00 21.13 H new ATOM 0 HB3 ASN A 83 -4.176 9.341 12.439 1.00 21.13 H new ATOM 0 HD21 ASN A 83 -0.132 10.116 12.839 1.00 2.31 H new ATOM 0 HD22 ASN A 83 -1.140 11.026 11.709 1.00 2.31 H new ATOM 1326 N LEU A 84 -5.006 9.772 8.813 1.00 53.50 N ATOM 1327 CA LEU A 84 -6.286 9.791 8.071 1.00 74.25 C ATOM 1328 C LEU A 84 -6.429 8.504 7.232 1.00 50.23 C ATOM 1329 O LEU A 84 -7.414 7.772 7.357 1.00 71.31 O ATOM 1330 CB LEU A 84 -6.346 11.031 7.139 1.00 32.15 C ATOM 1331 CG LEU A 84 -6.176 12.409 7.836 1.00 25.13 C ATOM 1332 CD1 LEU A 84 -6.122 13.548 6.799 1.00 23.34 C ATOM 1333 CD2 LEU A 84 -7.280 12.649 8.896 1.00 24.31 C ATOM 0 H LEU A 84 -4.313 10.426 8.450 1.00 53.50 H new ATOM 0 HA LEU A 84 -7.105 9.845 8.788 1.00 74.25 H new ATOM 0 HB2 LEU A 84 -5.569 10.930 6.381 1.00 32.15 H new ATOM 0 HB3 LEU A 84 -7.303 11.024 6.618 1.00 32.15 H new ATOM 0 HG LEU A 84 -5.223 12.401 8.365 1.00 25.13 H new ATOM 0 HD11 LEU A 84 -6.003 14.502 7.312 1.00 23.34 H new ATOM 0 HD12 LEU A 84 -5.278 13.389 6.128 1.00 23.34 H new ATOM 0 HD13 LEU A 84 -7.047 13.559 6.223 1.00 23.34 H new ATOM 0 HD21 LEU A 84 -7.130 13.622 9.364 1.00 24.31 H new ATOM 0 HD22 LEU A 84 -8.258 12.624 8.415 1.00 24.31 H new ATOM 0 HD23 LEU A 84 -7.230 11.870 9.656 1.00 24.31 H new ATOM 1345 N LEU A 85 -5.399 8.236 6.407 1.00 73.51 N ATOM 1346 CA LEU A 85 -5.370 7.099 5.463 1.00 1.34 C ATOM 1347 C LEU A 85 -5.164 5.767 6.212 1.00 32.13 C ATOM 1348 O LEU A 85 -5.757 4.748 5.863 1.00 4.43 O ATOM 1349 CB LEU A 85 -4.219 7.272 4.415 1.00 62.43 C ATOM 1350 CG LEU A 85 -4.263 8.516 3.452 1.00 52.54 C ATOM 1351 CD1 LEU A 85 -3.918 9.842 4.166 1.00 34.05 C ATOM 1352 CD2 LEU A 85 -3.344 8.293 2.227 1.00 45.24 C ATOM 0 H LEU A 85 -4.555 8.807 6.376 1.00 73.51 H new ATOM 0 HA LEU A 85 -6.330 7.081 4.948 1.00 1.34 H new ATOM 0 HB2 LEU A 85 -3.276 7.308 4.961 1.00 62.43 H new ATOM 0 HB3 LEU A 85 -4.195 6.375 3.797 1.00 62.43 H new ATOM 0 HG LEU A 85 -5.293 8.609 3.108 1.00 52.54 H new ATOM 0 HD11 LEU A 85 -3.965 10.663 3.451 1.00 34.05 H new ATOM 0 HD12 LEU A 85 -4.633 10.019 4.970 1.00 34.05 H new ATOM 0 HD13 LEU A 85 -2.912 9.780 4.582 1.00 34.05 H new ATOM 0 HD21 LEU A 85 -3.390 9.165 1.574 1.00 45.24 H new ATOM 0 HD22 LEU A 85 -2.318 8.145 2.564 1.00 45.24 H new ATOM 0 HD23 LEU A 85 -3.676 7.412 1.678 1.00 45.24 H new ATOM 1364 N LYS A 86 -4.307 5.838 7.240 1.00 5.25 N ATOM 1365 CA LYS A 86 -3.735 4.694 7.978 1.00 43.21 C ATOM 1366 C LYS A 86 -4.775 3.636 8.460 1.00 53.34 C ATOM 1367 O LYS A 86 -4.559 2.455 8.192 1.00 54.40 O ATOM 1368 CB LYS A 86 -2.871 5.251 9.145 1.00 32.14 C ATOM 1369 CG LYS A 86 -1.976 4.240 9.862 1.00 73.32 C ATOM 1370 CD LYS A 86 -0.972 4.934 10.815 1.00 73.34 C ATOM 1371 CE LYS A 86 -0.075 3.942 11.553 1.00 1.34 C ATOM 1372 NZ LYS A 86 -0.844 3.057 12.463 1.00 64.10 N ATOM 0 H LYS A 86 -3.976 6.734 7.599 1.00 5.25 H new ATOM 0 HA LYS A 86 -3.115 4.129 7.282 1.00 43.21 H new ATOM 0 HB2 LYS A 86 -2.241 6.050 8.754 1.00 32.14 H new ATOM 0 HB3 LYS A 86 -3.538 5.701 9.881 1.00 32.14 H new ATOM 0 HG2 LYS A 86 -2.595 3.545 10.430 1.00 73.32 H new ATOM 0 HG3 LYS A 86 -1.430 3.651 9.125 1.00 73.32 H new ATOM 0 HD2 LYS A 86 -0.351 5.622 10.242 1.00 73.34 H new ATOM 0 HD3 LYS A 86 -1.522 5.531 11.543 1.00 73.34 H new ATOM 0 HE2 LYS A 86 0.464 3.333 10.827 1.00 1.34 H new ATOM 0 HE3 LYS A 86 0.672 4.489 12.128 1.00 1.34 H new ATOM 0 HZ1 LYS A 86 -0.496 3.173 13.436 1.00 64.10 H new ATOM 0 HZ2 LYS A 86 -1.852 3.310 12.423 1.00 64.10 H new ATOM 0 HZ3 LYS A 86 -0.723 2.067 12.168 1.00 64.10 H new ATOM 1386 N PRO A 87 -5.935 4.000 9.142 1.00 14.12 N ATOM 1387 CA PRO A 87 -6.968 2.991 9.534 1.00 43.05 C ATOM 1388 C PRO A 87 -7.574 2.267 8.306 1.00 61.22 C ATOM 1389 O PRO A 87 -7.928 1.088 8.393 1.00 33.24 O ATOM 1390 CB PRO A 87 -8.046 3.825 10.288 1.00 11.31 C ATOM 1391 CG PRO A 87 -7.835 5.233 9.818 1.00 1.44 C ATOM 1392 CD PRO A 87 -6.344 5.361 9.596 1.00 51.21 C ATOM 0 HA PRO A 87 -6.546 2.194 10.147 1.00 43.05 H new ATOM 0 HB2 PRO A 87 -9.052 3.476 10.054 1.00 11.31 H new ATOM 0 HB3 PRO A 87 -7.924 3.746 11.368 1.00 11.31 H new ATOM 0 HG2 PRO A 87 -8.388 5.428 8.899 1.00 1.44 H new ATOM 0 HG3 PRO A 87 -8.185 5.952 10.559 1.00 1.44 H new ATOM 0 HD2 PRO A 87 -6.114 6.119 8.847 1.00 51.21 H new ATOM 0 HD3 PRO A 87 -5.826 5.650 10.511 1.00 51.21 H new ATOM 1400 N ASP A 88 -7.667 2.993 7.165 1.00 53.21 N ATOM 1401 CA ASP A 88 -8.226 2.452 5.910 1.00 75.42 C ATOM 1402 C ASP A 88 -7.181 1.575 5.177 1.00 45.04 C ATOM 1403 O ASP A 88 -7.542 0.591 4.526 1.00 2.33 O ATOM 1404 CB ASP A 88 -8.719 3.617 4.997 1.00 2.40 C ATOM 1405 CG ASP A 88 -9.657 3.207 3.833 1.00 52.44 C ATOM 1406 OD1 ASP A 88 -10.107 2.043 3.769 1.00 62.20 O ATOM 1407 OD2 ASP A 88 -9.978 4.073 2.986 1.00 52.12 O ATOM 0 H ASP A 88 -7.358 3.962 7.093 1.00 53.21 H new ATOM 0 HA ASP A 88 -9.080 1.819 6.151 1.00 75.42 H new ATOM 0 HB2 ASP A 88 -9.239 4.346 5.618 1.00 2.40 H new ATOM 0 HB3 ASP A 88 -7.847 4.119 4.577 1.00 2.40 H new ATOM 1412 N ILE A 89 -5.880 1.938 5.301 1.00 40.12 N ATOM 1413 CA ILE A 89 -4.757 1.158 4.720 1.00 65.14 C ATOM 1414 C ILE A 89 -4.657 -0.210 5.425 1.00 43.12 C ATOM 1415 O ILE A 89 -4.553 -1.253 4.767 1.00 34.14 O ATOM 1416 CB ILE A 89 -3.386 1.954 4.790 1.00 62.31 C ATOM 1417 CG1 ILE A 89 -3.483 3.257 3.925 1.00 61.31 C ATOM 1418 CG2 ILE A 89 -2.183 1.078 4.340 1.00 72.45 C ATOM 1419 CD1 ILE A 89 -2.250 4.141 3.931 1.00 32.21 C ATOM 0 H ILE A 89 -5.580 2.774 5.803 1.00 40.12 H new ATOM 0 HA ILE A 89 -4.962 0.993 3.662 1.00 65.14 H new ATOM 0 HB ILE A 89 -3.207 2.228 5.830 1.00 62.31 H new ATOM 0 HG12 ILE A 89 -3.699 2.973 2.895 1.00 61.31 H new ATOM 0 HG13 ILE A 89 -4.331 3.844 4.278 1.00 61.31 H new ATOM 0 HG21 ILE A 89 -1.264 1.661 4.403 1.00 72.45 H new ATOM 0 HG22 ILE A 89 -2.105 0.206 4.990 1.00 72.45 H new ATOM 0 HG23 ILE A 89 -2.335 0.751 3.311 1.00 72.45 H new ATOM 0 HD11 ILE A 89 -2.425 5.014 3.302 1.00 32.21 H new ATOM 0 HD12 ILE A 89 -2.040 4.465 4.950 1.00 32.21 H new ATOM 0 HD13 ILE A 89 -1.398 3.580 3.546 1.00 32.21 H new ATOM 1431 N TYR A 90 -4.770 -0.178 6.765 1.00 5.22 N ATOM 1432 CA TYR A 90 -4.810 -1.388 7.615 1.00 12.35 C ATOM 1433 C TYR A 90 -6.028 -2.261 7.267 1.00 75.34 C ATOM 1434 O TYR A 90 -5.884 -3.466 7.067 1.00 55.22 O ATOM 1435 CB TYR A 90 -4.835 -0.999 9.121 1.00 22.33 C ATOM 1436 CG TYR A 90 -3.486 -0.553 9.706 1.00 42.52 C ATOM 1437 CD1 TYR A 90 -2.651 0.347 9.037 1.00 54.42 C ATOM 1438 CD2 TYR A 90 -3.053 -1.037 10.939 1.00 33.22 C ATOM 1439 CE1 TYR A 90 -1.447 0.743 9.577 1.00 33.21 C ATOM 1440 CE2 TYR A 90 -1.853 -0.639 11.475 1.00 31.42 C ATOM 1441 CZ TYR A 90 -1.057 0.250 10.795 1.00 43.23 C ATOM 1442 OH TYR A 90 0.143 0.642 11.335 1.00 55.12 O ATOM 0 H TYR A 90 -4.837 0.691 7.294 1.00 5.22 H new ATOM 0 HA TYR A 90 -3.907 -1.967 7.422 1.00 12.35 H new ATOM 0 HB2 TYR A 90 -5.556 -0.194 9.259 1.00 22.33 H new ATOM 0 HB3 TYR A 90 -5.196 -1.853 9.694 1.00 22.33 H new ATOM 0 HD1 TYR A 90 -2.956 0.739 8.078 1.00 54.42 H new ATOM 0 HD2 TYR A 90 -3.671 -1.737 11.482 1.00 33.22 H new ATOM 0 HE1 TYR A 90 -0.815 1.437 9.044 1.00 33.21 H new ATOM 0 HE2 TYR A 90 -1.535 -1.025 12.432 1.00 31.42 H new ATOM 0 HH TYR A 90 0.605 -0.138 11.706 1.00 55.12 H new ATOM 1452 N ALA A 91 -7.209 -1.607 7.173 1.00 50.22 N ATOM 1453 CA ALA A 91 -8.482 -2.255 6.805 1.00 45.14 C ATOM 1454 C ALA A 91 -8.346 -3.052 5.493 1.00 15.35 C ATOM 1455 O ALA A 91 -8.573 -4.259 5.479 1.00 42.23 O ATOM 1456 CB ALA A 91 -9.600 -1.201 6.675 1.00 43.04 C ATOM 0 H ALA A 91 -7.302 -0.607 7.352 1.00 50.22 H new ATOM 0 HA ALA A 91 -8.744 -2.955 7.598 1.00 45.14 H new ATOM 0 HB1 ALA A 91 -10.534 -1.693 6.403 1.00 43.04 H new ATOM 0 HB2 ALA A 91 -9.726 -0.685 7.627 1.00 43.04 H new ATOM 0 HB3 ALA A 91 -9.332 -0.479 5.903 1.00 43.04 H new ATOM 1462 N THR A 92 -7.897 -2.347 4.441 1.00 12.42 N ATOM 1463 CA THR A 92 -7.754 -2.877 3.072 1.00 12.33 C ATOM 1464 C THR A 92 -6.825 -4.119 3.001 1.00 53.44 C ATOM 1465 O THR A 92 -7.198 -5.150 2.416 1.00 54.24 O ATOM 1466 CB THR A 92 -7.219 -1.742 2.140 1.00 70.21 C ATOM 1467 OG1 THR A 92 -8.169 -0.660 2.106 1.00 41.14 O ATOM 1468 CG2 THR A 92 -6.958 -2.219 0.716 1.00 34.04 C ATOM 0 H THR A 92 -7.616 -1.369 4.519 1.00 12.42 H new ATOM 0 HA THR A 92 -8.737 -3.210 2.739 1.00 12.33 H new ATOM 0 HB THR A 92 -6.266 -1.412 2.555 1.00 70.21 H new ATOM 0 HG1 THR A 92 -8.072 -0.114 2.914 1.00 41.14 H new ATOM 0 HG21 THR A 92 -6.588 -1.388 0.116 1.00 34.04 H new ATOM 0 HG22 THR A 92 -6.214 -3.016 0.730 1.00 34.04 H new ATOM 0 HG23 THR A 92 -7.885 -2.595 0.283 1.00 34.04 H new ATOM 1476 N ILE A 93 -5.636 -4.001 3.624 1.00 12.04 N ATOM 1477 CA ILE A 93 -4.613 -5.072 3.654 1.00 41.35 C ATOM 1478 C ILE A 93 -5.150 -6.320 4.400 1.00 21.32 C ATOM 1479 O ILE A 93 -5.036 -7.450 3.906 1.00 42.53 O ATOM 1480 CB ILE A 93 -3.277 -4.538 4.311 1.00 55.43 C ATOM 1481 CG1 ILE A 93 -2.656 -3.394 3.438 1.00 31.54 C ATOM 1482 CG2 ILE A 93 -2.249 -5.674 4.543 1.00 41.41 C ATOM 1483 CD1 ILE A 93 -1.455 -2.699 4.060 1.00 43.44 C ATOM 0 H ILE A 93 -5.354 -3.158 4.124 1.00 12.04 H new ATOM 0 HA ILE A 93 -4.388 -5.370 2.630 1.00 41.35 H new ATOM 0 HB ILE A 93 -3.533 -4.132 5.290 1.00 55.43 H new ATOM 0 HG12 ILE A 93 -2.359 -3.811 2.476 1.00 31.54 H new ATOM 0 HG13 ILE A 93 -3.426 -2.649 3.239 1.00 31.54 H new ATOM 0 HG21 ILE A 93 -1.347 -5.262 4.996 1.00 41.41 H new ATOM 0 HG22 ILE A 93 -2.679 -6.423 5.208 1.00 41.41 H new ATOM 0 HG23 ILE A 93 -1.997 -6.137 3.589 1.00 41.41 H new ATOM 0 HD11 ILE A 93 -1.093 -1.923 3.385 1.00 43.44 H new ATOM 0 HD12 ILE A 93 -1.747 -2.248 5.008 1.00 43.44 H new ATOM 0 HD13 ILE A 93 -0.663 -3.427 4.233 1.00 43.44 H new ATOM 1495 N MET A 94 -5.793 -6.081 5.561 1.00 3.24 N ATOM 1496 CA MET A 94 -6.368 -7.149 6.411 1.00 33.33 C ATOM 1497 C MET A 94 -7.496 -7.913 5.689 1.00 31.23 C ATOM 1498 O MET A 94 -7.515 -9.141 5.734 1.00 30.04 O ATOM 1499 CB MET A 94 -6.875 -6.557 7.758 1.00 4.12 C ATOM 1500 CG MET A 94 -5.759 -6.192 8.750 1.00 30.14 C ATOM 1501 SD MET A 94 -6.340 -5.166 10.121 1.00 73.22 S ATOM 1502 CE MET A 94 -7.772 -6.080 10.702 1.00 54.11 C ATOM 0 H MET A 94 -5.929 -5.143 5.938 1.00 3.24 H new ATOM 0 HA MET A 94 -5.575 -7.867 6.620 1.00 33.33 H new ATOM 0 HB2 MET A 94 -7.466 -5.665 7.550 1.00 4.12 H new ATOM 0 HB3 MET A 94 -7.542 -7.278 8.230 1.00 4.12 H new ATOM 0 HG2 MET A 94 -5.321 -7.107 9.149 1.00 30.14 H new ATOM 0 HG3 MET A 94 -4.967 -5.664 8.219 1.00 30.14 H new ATOM 0 HE1 MET A 94 -8.115 -5.657 11.646 1.00 54.11 H new ATOM 0 HE2 MET A 94 -8.570 -6.014 9.963 1.00 54.11 H new ATOM 0 HE3 MET A 94 -7.501 -7.125 10.850 1.00 54.11 H new ATOM 1512 N ASP A 95 -8.416 -7.170 5.022 1.00 21.33 N ATOM 1513 CA ASP A 95 -9.527 -7.765 4.225 1.00 74.41 C ATOM 1514 C ASP A 95 -8.986 -8.678 3.119 1.00 4.51 C ATOM 1515 O ASP A 95 -9.468 -9.798 2.927 1.00 2.43 O ATOM 1516 CB ASP A 95 -10.414 -6.673 3.554 1.00 11.44 C ATOM 1517 CG ASP A 95 -11.120 -5.727 4.539 1.00 33.52 C ATOM 1518 OD1 ASP A 95 -11.601 -6.191 5.593 1.00 61.25 O ATOM 1519 OD2 ASP A 95 -11.235 -4.516 4.237 1.00 63.32 O ATOM 0 H ASP A 95 -8.412 -6.150 5.019 1.00 21.33 H new ATOM 0 HA ASP A 95 -10.130 -8.339 4.929 1.00 74.41 H new ATOM 0 HB2 ASP A 95 -9.792 -6.080 2.884 1.00 11.44 H new ATOM 0 HB3 ASP A 95 -11.168 -7.164 2.938 1.00 11.44 H new ATOM 1524 N PHE A 96 -7.966 -8.154 2.420 1.00 43.13 N ATOM 1525 CA PHE A 96 -7.321 -8.803 1.269 1.00 32.54 C ATOM 1526 C PHE A 96 -6.773 -10.198 1.643 1.00 43.43 C ATOM 1527 O PHE A 96 -7.064 -11.199 0.971 1.00 4.43 O ATOM 1528 CB PHE A 96 -6.180 -7.881 0.766 1.00 5.30 C ATOM 1529 CG PHE A 96 -5.446 -8.401 -0.452 1.00 30.34 C ATOM 1530 CD1 PHE A 96 -6.012 -8.280 -1.715 1.00 43.54 C ATOM 1531 CD2 PHE A 96 -4.197 -9.016 -0.337 1.00 23.03 C ATOM 1532 CE1 PHE A 96 -5.358 -8.755 -2.823 1.00 63.30 C ATOM 1533 CE2 PHE A 96 -3.548 -9.491 -1.451 1.00 11.20 C ATOM 1534 CZ PHE A 96 -4.132 -9.357 -2.693 1.00 30.21 C ATOM 0 H PHE A 96 -7.558 -7.247 2.645 1.00 43.13 H new ATOM 0 HA PHE A 96 -8.056 -8.953 0.479 1.00 32.54 H new ATOM 0 HB2 PHE A 96 -6.597 -6.901 0.533 1.00 5.30 H new ATOM 0 HB3 PHE A 96 -5.462 -7.738 1.574 1.00 5.30 H new ATOM 0 HD1 PHE A 96 -6.977 -7.807 -1.825 1.00 43.54 H new ATOM 0 HD2 PHE A 96 -3.738 -9.119 0.635 1.00 23.03 H new ATOM 0 HE1 PHE A 96 -5.809 -8.655 -3.799 1.00 63.30 H new ATOM 0 HE2 PHE A 96 -2.584 -9.968 -1.354 1.00 11.20 H new ATOM 0 HZ PHE A 96 -3.621 -9.728 -3.569 1.00 30.21 H new ATOM 1544 N PHE A 97 -6.004 -10.242 2.744 1.00 21.41 N ATOM 1545 CA PHE A 97 -5.376 -11.482 3.242 1.00 1.44 C ATOM 1546 C PHE A 97 -6.395 -12.389 3.963 1.00 5.10 C ATOM 1547 O PHE A 97 -6.277 -13.618 3.903 1.00 4.24 O ATOM 1548 CB PHE A 97 -4.152 -11.149 4.136 1.00 5.52 C ATOM 1549 CG PHE A 97 -2.963 -10.600 3.328 1.00 42.11 C ATOM 1550 CD1 PHE A 97 -2.226 -11.447 2.495 1.00 42.11 C ATOM 1551 CD2 PHE A 97 -2.586 -9.257 3.389 1.00 64.21 C ATOM 1552 CE1 PHE A 97 -1.158 -10.968 1.758 1.00 73.12 C ATOM 1553 CE2 PHE A 97 -1.515 -8.782 2.649 1.00 34.34 C ATOM 1554 CZ PHE A 97 -0.802 -9.639 1.835 1.00 74.11 C ATOM 0 H PHE A 97 -5.799 -9.422 3.314 1.00 21.41 H new ATOM 0 HA PHE A 97 -5.015 -12.049 2.384 1.00 1.44 H new ATOM 0 HB2 PHE A 97 -4.445 -10.417 4.889 1.00 5.52 H new ATOM 0 HB3 PHE A 97 -3.841 -12.047 4.669 1.00 5.52 H new ATOM 0 HD1 PHE A 97 -2.495 -12.491 2.426 1.00 42.11 H new ATOM 0 HD2 PHE A 97 -3.137 -8.578 4.023 1.00 64.21 H new ATOM 0 HE1 PHE A 97 -0.601 -11.638 1.120 1.00 73.12 H new ATOM 0 HE2 PHE A 97 -1.238 -7.740 2.709 1.00 34.34 H new ATOM 0 HZ PHE A 97 0.033 -9.269 1.259 1.00 74.11 H new ATOM 1564 N ALA A 98 -7.419 -11.780 4.598 1.00 41.13 N ATOM 1565 CA ALA A 98 -8.516 -12.530 5.262 1.00 32.15 C ATOM 1566 C ALA A 98 -9.363 -13.291 4.226 1.00 3.33 C ATOM 1567 O ALA A 98 -9.872 -14.383 4.507 1.00 14.13 O ATOM 1568 CB ALA A 98 -9.400 -11.588 6.103 1.00 15.20 C ATOM 0 H ALA A 98 -7.512 -10.767 4.667 1.00 41.13 H new ATOM 0 HA ALA A 98 -8.064 -13.259 5.935 1.00 32.15 H new ATOM 0 HB1 ALA A 98 -10.195 -12.163 6.578 1.00 15.20 H new ATOM 0 HB2 ALA A 98 -8.792 -11.107 6.869 1.00 15.20 H new ATOM 0 HB3 ALA A 98 -9.838 -10.827 5.457 1.00 15.20 H new ATOM 1574 N SER A 99 -9.487 -12.698 3.025 1.00 55.25 N ATOM 1575 CA SER A 99 -10.162 -13.328 1.876 1.00 54.20 C ATOM 1576 C SER A 99 -9.241 -14.382 1.231 1.00 75.52 C ATOM 1577 O SER A 99 -9.717 -15.375 0.665 1.00 33.14 O ATOM 1578 CB SER A 99 -10.544 -12.250 0.835 1.00 11.15 C ATOM 1579 OG SER A 99 -11.394 -11.264 1.399 1.00 14.41 O ATOM 0 H SER A 99 -9.122 -11.767 2.824 1.00 55.25 H new ATOM 0 HA SER A 99 -11.068 -13.822 2.226 1.00 54.20 H new ATOM 0 HB2 SER A 99 -9.640 -11.777 0.451 1.00 11.15 H new ATOM 0 HB3 SER A 99 -11.042 -12.721 -0.012 1.00 11.15 H new ATOM 0 HG SER A 99 -10.870 -10.675 1.982 1.00 14.41 H new ATOM 1585 N GLY A 100 -7.916 -14.144 1.344 1.00 12.24 N ATOM 1586 CA GLY A 100 -6.903 -15.014 0.749 1.00 63.32 C ATOM 1587 C GLY A 100 -6.788 -14.801 -0.752 1.00 72.34 C ATOM 1588 O GLY A 100 -6.776 -15.759 -1.533 1.00 61.10 O ATOM 0 H GLY A 100 -7.530 -13.346 1.849 1.00 12.24 H new ATOM 0 HA2 GLY A 100 -5.938 -14.822 1.218 1.00 63.32 H new ATOM 0 HA3 GLY A 100 -7.154 -16.055 0.950 1.00 63.32 H new ATOM 1592 N LEU A 101 -6.723 -13.520 -1.149 1.00 62.53 N ATOM 1593 CA LEU A 101 -6.604 -13.112 -2.561 1.00 4.44 C ATOM 1594 C LEU A 101 -5.110 -13.077 -2.973 1.00 12.13 C ATOM 1595 O LEU A 101 -4.264 -12.755 -2.129 1.00 54.12 O ATOM 1596 CB LEU A 101 -7.262 -11.718 -2.771 1.00 52.22 C ATOM 1597 CG LEU A 101 -8.780 -11.613 -2.430 1.00 42.21 C ATOM 1598 CD1 LEU A 101 -9.302 -10.169 -2.617 1.00 31.52 C ATOM 1599 CD2 LEU A 101 -9.615 -12.626 -3.246 1.00 63.50 C ATOM 0 H LEU A 101 -6.751 -12.735 -0.499 1.00 62.53 H new ATOM 0 HA LEU A 101 -7.123 -13.836 -3.189 1.00 4.44 H new ATOM 0 HB2 LEU A 101 -6.724 -10.990 -2.164 1.00 52.22 H new ATOM 0 HB3 LEU A 101 -7.124 -11.428 -3.813 1.00 52.22 H new ATOM 0 HG LEU A 101 -8.896 -11.869 -1.377 1.00 42.21 H new ATOM 0 HD11 LEU A 101 -10.363 -10.131 -2.371 1.00 31.52 H new ATOM 0 HD12 LEU A 101 -8.753 -9.495 -1.959 1.00 31.52 H new ATOM 0 HD13 LEU A 101 -9.158 -9.862 -3.653 1.00 31.52 H new ATOM 0 HD21 LEU A 101 -10.668 -12.525 -2.983 1.00 63.50 H new ATOM 0 HD22 LEU A 101 -9.486 -12.430 -4.310 1.00 63.50 H new ATOM 0 HD23 LEU A 101 -9.280 -13.639 -3.021 1.00 63.50 H new ATOM 1611 N PRO A 102 -4.760 -13.412 -4.262 1.00 43.35 N ATOM 1612 CA PRO A 102 -3.359 -13.356 -4.759 1.00 12.35 C ATOM 1613 C PRO A 102 -2.857 -11.898 -4.840 1.00 60.51 C ATOM 1614 O PRO A 102 -3.554 -11.038 -5.396 1.00 71.52 O ATOM 1615 CB PRO A 102 -3.445 -14.019 -6.165 1.00 0.52 C ATOM 1616 CG PRO A 102 -4.866 -13.825 -6.602 1.00 0.14 C ATOM 1617 CD PRO A 102 -5.700 -13.866 -5.333 1.00 62.53 C ATOM 0 HA PRO A 102 -2.651 -13.863 -4.104 1.00 12.35 H new ATOM 0 HB2 PRO A 102 -2.750 -13.553 -6.864 1.00 0.52 H new ATOM 0 HB3 PRO A 102 -3.188 -15.077 -6.118 1.00 0.52 H new ATOM 0 HG2 PRO A 102 -4.989 -12.874 -7.120 1.00 0.14 H new ATOM 0 HG3 PRO A 102 -5.172 -14.608 -7.296 1.00 0.14 H new ATOM 0 HD2 PRO A 102 -6.568 -13.211 -5.405 1.00 62.53 H new ATOM 0 HD3 PRO A 102 -6.075 -14.870 -5.135 1.00 62.53 H new ATOM 1625 N LEU A 103 -1.659 -11.638 -4.260 1.00 11.12 N ATOM 1626 CA LEU A 103 -1.052 -10.284 -4.176 1.00 33.43 C ATOM 1627 C LEU A 103 -0.945 -9.661 -5.580 1.00 10.33 C ATOM 1628 O LEU A 103 -1.309 -8.499 -5.784 1.00 30.32 O ATOM 1629 CB LEU A 103 0.342 -10.374 -3.461 1.00 64.44 C ATOM 1630 CG LEU A 103 0.939 -9.060 -2.818 1.00 34.42 C ATOM 1631 CD1 LEU A 103 1.444 -8.031 -3.860 1.00 34.42 C ATOM 1632 CD2 LEU A 103 -0.064 -8.410 -1.836 1.00 71.11 C ATOM 0 H LEU A 103 -1.083 -12.365 -3.835 1.00 11.12 H new ATOM 0 HA LEU A 103 -1.689 -9.630 -3.581 1.00 33.43 H new ATOM 0 HB2 LEU A 103 0.264 -11.124 -2.674 1.00 64.44 H new ATOM 0 HB3 LEU A 103 1.065 -10.747 -4.187 1.00 64.44 H new ATOM 0 HG LEU A 103 1.819 -9.378 -2.259 1.00 34.42 H new ATOM 0 HD11 LEU A 103 1.840 -7.156 -3.345 1.00 34.42 H new ATOM 0 HD12 LEU A 103 2.230 -8.482 -4.465 1.00 34.42 H new ATOM 0 HD13 LEU A 103 0.618 -7.730 -4.504 1.00 34.42 H new ATOM 0 HD21 LEU A 103 0.376 -7.508 -1.410 1.00 71.11 H new ATOM 0 HD22 LEU A 103 -0.979 -8.151 -2.369 1.00 71.11 H new ATOM 0 HD23 LEU A 103 -0.297 -9.113 -1.036 1.00 71.11 H new ATOM 1644 N VAL A 104 -0.480 -10.478 -6.528 1.00 60.42 N ATOM 1645 CA VAL A 104 -0.298 -10.107 -7.935 1.00 1.40 C ATOM 1646 C VAL A 104 -1.087 -11.088 -8.827 1.00 73.12 C ATOM 1647 O VAL A 104 -0.984 -12.311 -8.655 1.00 12.20 O ATOM 1648 CB VAL A 104 1.237 -10.130 -8.317 1.00 63.02 C ATOM 1649 CG1 VAL A 104 1.466 -9.835 -9.813 1.00 44.41 C ATOM 1650 CG2 VAL A 104 2.049 -9.152 -7.435 1.00 52.13 C ATOM 0 H VAL A 104 -0.212 -11.443 -6.334 1.00 60.42 H new ATOM 0 HA VAL A 104 -0.673 -9.096 -8.092 1.00 1.40 H new ATOM 0 HB VAL A 104 1.595 -11.141 -8.125 1.00 63.02 H new ATOM 0 HG11 VAL A 104 2.534 -9.861 -10.030 1.00 44.41 H new ATOM 0 HG12 VAL A 104 0.955 -10.587 -10.414 1.00 44.41 H new ATOM 0 HG13 VAL A 104 1.071 -8.848 -10.054 1.00 44.41 H new ATOM 0 HG21 VAL A 104 3.100 -9.191 -7.722 1.00 52.13 H new ATOM 0 HG22 VAL A 104 1.672 -8.139 -7.573 1.00 52.13 H new ATOM 0 HG23 VAL A 104 1.948 -9.437 -6.388 1.00 52.13 H new ATOM 1660 N THR A 105 -1.901 -10.544 -9.740 1.00 72.35 N ATOM 1661 CA THR A 105 -2.604 -11.318 -10.775 1.00 75.53 C ATOM 1662 C THR A 105 -1.797 -11.299 -12.088 1.00 54.41 C ATOM 1663 O THR A 105 -1.432 -12.355 -12.622 1.00 44.42 O ATOM 1664 CB THR A 105 -4.041 -10.742 -11.003 1.00 70.41 C ATOM 1665 OG1 THR A 105 -3.980 -9.301 -11.061 1.00 24.21 O ATOM 1666 CG2 THR A 105 -5.019 -11.180 -9.892 1.00 45.22 C ATOM 0 H THR A 105 -2.093 -9.543 -9.783 1.00 72.35 H new ATOM 0 HA THR A 105 -2.699 -12.351 -10.440 1.00 75.53 H new ATOM 0 HB THR A 105 -4.415 -11.138 -11.947 1.00 70.41 H new ATOM 0 HG1 THR A 105 -4.880 -8.941 -11.205 1.00 24.21 H new ATOM 0 HG21 THR A 105 -6.005 -10.759 -10.088 1.00 45.22 H new ATOM 0 HG22 THR A 105 -5.086 -12.268 -9.874 1.00 45.22 H new ATOM 0 HG23 THR A 105 -4.657 -10.823 -8.928 1.00 45.22 H new