USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 910 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 45 MET CE :methyl 136:sc= -0.314 (180deg=-0.917) USER MOD Set 1.2: A 124 MET CE :methyl 160:sc= -0.182 (180deg=-0.765) USER MOD Set 2.1: A 98 GLN : amide:sc= -2.41 K(o=-4.4,f=-2.8!) USER MOD Set 2.2: A 99 HIS : no HD1:sc= -1.94 K(o=-4.4,f=-2.8) USER MOD Set 3.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 80 GLN : amide:sc= -0.673 K(o=-0.67,f=-5.2!) USER MOD Set 4.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 114 THR OG1 : rot -84:sc= 0.685 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -140:sc= -0.0558 (180deg=-0.503) USER MOD Single : A 38 GLN : amide:sc= 0.0917 K(o=0.092,f=-0.9) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0272 (180deg=-0.279) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.11 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.0017) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= -0.807 (180deg=-1.03) USER MOD Single : A 83 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.12) USER MOD Single : A 89 ASN : amide:sc= -0.145 K(o=-0.15,f=-7.7!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -25:sc= 0.137 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.372 USER MOD Single : A 96 THR OG1 : rot 86:sc= 0.703 USER MOD Single : A 100 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-0.13) USER MOD Single : A 101 LYS NZ :NH3+ -127:sc= -1.02 (180deg=-3.16!) USER MOD Single : A 111 MET CE :methyl -166:sc= -0.657 (180deg=-1.27!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.640 1.652 5.929 1.00 0.00 N ATOM 243 CA ALA A 19 19.796 3.060 5.579 1.00 0.00 C ATOM 244 C ALA A 19 18.766 3.494 4.541 1.00 0.00 C ATOM 245 O ALA A 19 17.989 4.423 4.773 1.00 0.00 O ATOM 246 CB ALA A 19 21.204 3.322 5.065 1.00 0.00 C ATOM 0 HA ALA A 19 19.630 3.649 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.307 4.376 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.927 3.065 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.388 2.713 4.180 1.00 0.00 H new ATOM 252 N GLU A 20 18.762 2.816 3.399 1.00 0.00 N ATOM 253 CA GLU A 20 17.830 3.138 2.325 1.00 0.00 C ATOM 254 C GLU A 20 16.409 2.743 2.699 1.00 0.00 C ATOM 255 O GLU A 20 15.473 3.516 2.503 1.00 0.00 O ATOM 256 CB GLU A 20 18.245 2.443 1.029 1.00 0.00 C ATOM 257 CG GLU A 20 19.258 3.231 0.215 1.00 0.00 C ATOM 258 CD GLU A 20 20.525 3.536 0.992 1.00 0.00 C ATOM 259 OE1 GLU A 20 20.528 4.521 1.759 1.00 0.00 O ATOM 260 OE2 GLU A 20 21.513 2.790 0.832 1.00 0.00 O ATOM 0 H GLU A 20 19.393 2.041 3.193 1.00 0.00 H new ATOM 0 HA GLU A 20 17.857 4.217 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.665 1.466 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.358 2.268 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.514 2.668 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.805 4.166 -0.114 1.00 0.00 H new ATOM 267 N PHE A 21 16.254 1.537 3.236 1.00 0.00 N ATOM 268 CA PHE A 21 14.942 1.046 3.639 1.00 0.00 C ATOM 269 C PHE A 21 14.231 2.071 4.516 1.00 0.00 C ATOM 270 O PHE A 21 13.043 2.339 4.336 1.00 0.00 O ATOM 271 CB PHE A 21 15.076 -0.280 4.387 1.00 0.00 C ATOM 272 CG PHE A 21 13.756 -0.887 4.767 1.00 0.00 C ATOM 273 CD1 PHE A 21 13.032 -1.630 3.849 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.238 -0.712 6.039 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.815 -2.187 4.194 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.023 -1.265 6.390 1.00 0.00 C ATOM 277 CZ PHE A 21 11.309 -2.004 5.466 1.00 0.00 C ATOM 0 H PHE A 21 17.019 0.883 3.402 1.00 0.00 H new ATOM 0 HA PHE A 21 14.347 0.885 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.626 -0.986 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.668 -0.122 5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.423 -1.776 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.791 -0.136 6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.260 -2.765 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.631 -1.120 7.386 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.358 -2.437 5.738 1.00 0.00 H new ATOM 287 N ASP A 22 14.967 2.645 5.464 1.00 0.00 N ATOM 288 CA ASP A 22 14.410 3.646 6.365 1.00 0.00 C ATOM 289 C ASP A 22 13.982 4.887 5.591 1.00 0.00 C ATOM 290 O ASP A 22 12.893 5.423 5.806 1.00 0.00 O ATOM 291 CB ASP A 22 15.434 4.026 7.436 1.00 0.00 C ATOM 292 CG ASP A 22 14.886 5.031 8.429 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.991 6.247 8.163 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.351 4.602 9.473 1.00 0.00 O ATOM 0 H ASP A 22 15.951 2.433 5.627 1.00 0.00 H new ATOM 0 HA ASP A 22 13.533 3.218 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.749 3.128 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.321 4.440 6.956 1.00 0.00 H new ATOM 299 N ALA A 23 14.848 5.342 4.689 1.00 0.00 N ATOM 300 CA ALA A 23 14.560 6.517 3.877 1.00 0.00 C ATOM 301 C ALA A 23 13.257 6.335 3.105 1.00 0.00 C ATOM 302 O ALA A 23 12.438 7.252 3.025 1.00 0.00 O ATOM 303 CB ALA A 23 15.712 6.797 2.924 1.00 0.00 C ATOM 0 H ALA A 23 15.755 4.913 4.503 1.00 0.00 H new ATOM 0 HA ALA A 23 14.444 7.373 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.482 7.678 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.622 6.975 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.858 5.939 2.268 1.00 0.00 H new ATOM 309 N VAL A 24 13.071 5.145 2.541 1.00 0.00 N ATOM 310 CA VAL A 24 11.866 4.840 1.782 1.00 0.00 C ATOM 311 C VAL A 24 10.627 4.995 2.658 1.00 0.00 C ATOM 312 O VAL A 24 9.608 5.524 2.216 1.00 0.00 O ATOM 313 CB VAL A 24 11.904 3.411 1.206 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.634 3.114 0.423 1.00 0.00 C ATOM 315 CG2 VAL A 24 13.133 3.223 0.328 1.00 0.00 C ATOM 0 H VAL A 24 13.740 4.377 2.596 1.00 0.00 H new ATOM 0 HA VAL A 24 11.820 5.547 0.954 1.00 0.00 H new ATOM 0 HB VAL A 24 11.964 2.707 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.681 2.100 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.771 3.205 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.539 3.823 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.144 2.208 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.104 3.936 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.032 3.390 0.921 1.00 0.00 H new ATOM 325 N VAL A 25 10.723 4.527 3.902 1.00 0.00 N ATOM 326 CA VAL A 25 9.612 4.625 4.840 1.00 0.00 C ATOM 327 C VAL A 25 9.177 6.076 5.000 1.00 0.00 C ATOM 328 O VAL A 25 7.984 6.377 5.042 1.00 0.00 O ATOM 329 CB VAL A 25 9.986 4.057 6.225 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.823 4.198 7.196 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.414 2.603 6.107 1.00 0.00 C ATOM 0 H VAL A 25 11.557 4.078 4.280 1.00 0.00 H new ATOM 0 HA VAL A 25 8.792 4.035 4.431 1.00 0.00 H new ATOM 0 HB VAL A 25 10.826 4.631 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.108 3.791 8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.566 5.252 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.961 3.652 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.674 2.219 7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.595 2.015 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.280 2.531 5.450 1.00 0.00 H new ATOM 341 N GLY A 26 10.156 6.972 5.086 1.00 0.00 N ATOM 342 CA GLY A 26 9.861 8.384 5.232 1.00 0.00 C ATOM 343 C GLY A 26 9.025 8.912 4.084 1.00 0.00 C ATOM 344 O GLY A 26 7.986 9.538 4.303 1.00 0.00 O ATOM 0 H GLY A 26 11.150 6.743 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.332 8.548 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.794 8.945 5.289 1.00 0.00 H new ATOM 348 N TYR A 27 9.477 8.660 2.857 1.00 0.00 N ATOM 349 CA TYR A 27 8.756 9.112 1.671 1.00 0.00 C ATOM 350 C TYR A 27 7.334 8.562 1.667 1.00 0.00 C ATOM 351 O TYR A 27 6.391 9.254 1.285 1.00 0.00 O ATOM 352 CB TYR A 27 9.487 8.677 0.397 1.00 0.00 C ATOM 353 CG TYR A 27 10.876 9.260 0.258 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.072 10.636 0.218 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.991 8.436 0.169 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.339 11.173 0.091 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.262 8.966 0.042 1.00 0.00 C ATOM 358 CZ TYR A 27 13.430 10.334 0.004 1.00 0.00 C ATOM 359 OH TYR A 27 14.693 10.865 -0.122 1.00 0.00 O ATOM 0 H TYR A 27 10.336 8.147 2.659 1.00 0.00 H new ATOM 0 HA TYR A 27 8.712 10.201 1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.557 7.589 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.893 8.969 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.220 11.296 0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.863 7.364 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.474 12.244 0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.119 8.312 -0.027 1.00 0.00 H new ATOM 0 HH TYR A 27 15.350 10.139 -0.170 1.00 0.00 H new ATOM 369 N LEU A 28 7.190 7.313 2.100 1.00 0.00 N ATOM 370 CA LEU A 28 5.888 6.660 2.152 1.00 0.00 C ATOM 371 C LEU A 28 4.929 7.420 3.063 1.00 0.00 C ATOM 372 O LEU A 28 3.755 7.590 2.737 1.00 0.00 O ATOM 373 CB LEU A 28 6.042 5.220 2.644 1.00 0.00 C ATOM 374 CG LEU A 28 6.770 4.277 1.684 1.00 0.00 C ATOM 375 CD1 LEU A 28 7.073 2.951 2.365 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.940 4.051 0.429 1.00 0.00 C ATOM 0 H LEU A 28 7.964 6.731 2.421 1.00 0.00 H new ATOM 0 HA LEU A 28 5.471 6.655 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.579 5.233 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.051 4.814 2.845 1.00 0.00 H new ATOM 0 HG LEU A 28 7.714 4.741 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.591 2.293 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.705 3.125 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.141 2.483 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.472 3.378 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.982 3.609 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.770 5.004 -0.072 1.00 0.00 H new ATOM 388 N GLU A 29 5.439 7.875 4.204 1.00 0.00 N ATOM 389 CA GLU A 29 4.627 8.615 5.164 1.00 0.00 C ATOM 390 C GLU A 29 4.093 9.906 4.554 1.00 0.00 C ATOM 391 O GLU A 29 2.921 10.245 4.724 1.00 0.00 O ATOM 392 CB GLU A 29 5.446 8.932 6.415 1.00 0.00 C ATOM 393 CG GLU A 29 5.879 7.698 7.187 1.00 0.00 C ATOM 394 CD GLU A 29 6.634 8.041 8.457 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.867 8.222 8.384 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.990 8.129 9.523 1.00 0.00 O ATOM 0 H GLU A 29 6.410 7.744 4.486 1.00 0.00 H new ATOM 0 HA GLU A 29 3.778 7.989 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.331 9.498 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.858 9.573 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.000 7.105 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.509 7.078 6.550 1.00 0.00 H new ATOM 403 N ASP A 30 4.959 10.622 3.844 1.00 0.00 N ATOM 404 CA ASP A 30 4.576 11.879 3.211 1.00 0.00 C ATOM 405 C ASP A 30 3.489 11.659 2.162 1.00 0.00 C ATOM 406 O ASP A 30 2.630 12.518 1.958 1.00 0.00 O ATOM 407 CB ASP A 30 5.796 12.544 2.570 1.00 0.00 C ATOM 408 CG ASP A 30 6.856 12.914 3.592 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.712 13.972 4.241 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.830 12.146 3.743 1.00 0.00 O ATOM 0 H ASP A 30 5.931 10.353 3.693 1.00 0.00 H new ATOM 0 HA ASP A 30 4.176 12.536 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.228 11.870 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.480 13.441 2.037 1.00 0.00 H new ATOM 415 N ILE A 31 3.527 10.505 1.502 1.00 0.00 N ATOM 416 CA ILE A 31 2.544 10.179 0.474 1.00 0.00 C ATOM 417 C ILE A 31 1.200 9.799 1.094 1.00 0.00 C ATOM 418 O ILE A 31 0.147 10.236 0.627 1.00 0.00 O ATOM 419 CB ILE A 31 3.033 9.026 -0.427 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.356 9.405 -1.099 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.980 8.684 -1.472 1.00 0.00 C ATOM 422 CD1 ILE A 31 5.029 8.251 -1.812 1.00 0.00 C ATOM 0 H ILE A 31 4.227 9.781 1.661 1.00 0.00 H new ATOM 0 HA ILE A 31 2.415 11.074 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 31 3.199 8.145 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.173 10.206 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.036 9.801 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.341 7.869 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.059 8.379 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.785 9.559 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.960 8.595 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.244 7.457 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.368 7.869 -2.590 1.00 0.00 H new ATOM 434 N ILE A 32 1.242 8.984 2.145 1.00 0.00 N ATOM 435 CA ILE A 32 0.025 8.549 2.824 1.00 0.00 C ATOM 436 C ILE A 32 -0.686 9.727 3.485 1.00 0.00 C ATOM 437 O ILE A 32 -1.915 9.757 3.567 1.00 0.00 O ATOM 438 CB ILE A 32 0.332 7.479 3.894 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.981 6.252 3.249 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.940 7.082 4.632 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.533 5.260 4.251 1.00 0.00 C ATOM 0 H ILE A 32 2.104 8.612 2.544 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.626 8.116 2.065 1.00 0.00 H new ATOM 0 HB ILE A 32 1.031 7.902 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.245 5.750 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.788 6.581 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.705 6.327 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.366 7.958 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.661 6.676 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.977 4.417 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.293 5.746 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.726 4.902 4.891 1.00 0.00 H new ATOM 453 N MET A 33 0.094 10.696 3.952 1.00 0.00 N ATOM 454 CA MET A 33 -0.460 11.876 4.608 1.00 0.00 C ATOM 455 C MET A 33 -0.620 13.027 3.618 1.00 0.00 C ATOM 456 O MET A 33 -0.787 14.181 4.016 1.00 0.00 O ATOM 457 CB MET A 33 0.437 12.305 5.771 1.00 0.00 C ATOM 458 CG MET A 33 0.619 11.228 6.830 1.00 0.00 C ATOM 459 SD MET A 33 -0.936 10.736 7.600 1.00 0.00 S ATOM 460 CE MET A 33 -1.444 12.276 8.361 1.00 0.00 C ATOM 0 H MET A 33 1.112 10.688 3.889 1.00 0.00 H new ATOM 0 HA MET A 33 -1.446 11.618 4.995 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.415 12.587 5.380 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.012 13.194 6.238 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.087 10.354 6.377 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.301 11.592 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.870 12.073 9.344 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.580 12.931 8.469 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.192 12.762 7.735 1.00 0.00 H new ATOM 470 N ASP A 34 -0.576 12.706 2.328 1.00 0.00 N ATOM 471 CA ASP A 34 -0.718 13.715 1.284 1.00 0.00 C ATOM 472 C ASP A 34 -2.190 14.000 1.003 1.00 0.00 C ATOM 473 O ASP A 34 -3.023 13.094 1.021 1.00 0.00 O ATOM 474 CB ASP A 34 -0.016 13.261 0.002 1.00 0.00 C ATOM 475 CG ASP A 34 0.060 14.364 -1.036 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.041 15.136 -1.011 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.861 14.454 -1.875 1.00 0.00 O ATOM 0 H ASP A 34 -0.443 11.756 1.981 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.249 14.634 1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.992 12.922 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.548 12.407 -0.417 1.00 0.00 H new ATOM 482 N ASP A 35 -2.501 15.266 0.742 1.00 0.00 N ATOM 483 CA ASP A 35 -3.872 15.684 0.467 1.00 0.00 C ATOM 484 C ASP A 35 -4.458 14.932 -0.725 1.00 0.00 C ATOM 485 O ASP A 35 -5.585 14.438 -0.664 1.00 0.00 O ATOM 486 CB ASP A 35 -3.922 17.191 0.202 1.00 0.00 C ATOM 487 CG ASP A 35 -5.324 17.680 -0.099 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.051 18.026 0.856 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.697 17.718 -1.290 1.00 0.00 O ATOM 0 H ASP A 35 -1.819 16.024 0.715 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.472 15.448 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.534 17.723 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.269 17.431 -0.637 1.00 0.00 H new ATOM 494 N GLU A 36 -3.690 14.852 -1.807 1.00 0.00 N ATOM 495 CA GLU A 36 -4.136 14.165 -3.015 1.00 0.00 C ATOM 496 C GLU A 36 -4.421 12.691 -2.745 1.00 0.00 C ATOM 497 O GLU A 36 -5.248 12.077 -3.417 1.00 0.00 O ATOM 498 CB GLU A 36 -3.088 14.296 -4.123 1.00 0.00 C ATOM 499 CG GLU A 36 -2.964 15.701 -4.688 1.00 0.00 C ATOM 500 CD GLU A 36 -2.487 16.707 -3.659 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.258 16.808 -3.454 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.341 17.389 -3.055 1.00 0.00 O ATOM 0 H GLU A 36 -2.755 15.255 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.063 14.638 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.119 13.985 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.341 13.610 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.270 15.690 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.931 16.018 -5.078 1.00 0.00 H new ATOM 509 N PHE A 37 -3.731 12.127 -1.757 1.00 0.00 N ATOM 510 CA PHE A 37 -3.910 10.721 -1.407 1.00 0.00 C ATOM 511 C PHE A 37 -5.218 10.506 -0.650 1.00 0.00 C ATOM 512 O PHE A 37 -5.941 9.543 -0.904 1.00 0.00 O ATOM 513 CB PHE A 37 -2.732 10.228 -0.565 1.00 0.00 C ATOM 514 CG PHE A 37 -2.799 8.765 -0.230 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.503 7.808 -1.188 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.158 8.346 1.041 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.563 6.461 -0.884 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.221 7.001 1.351 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.923 6.057 0.386 1.00 0.00 C ATOM 0 H PHE A 37 -3.045 12.620 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.951 10.147 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.805 10.426 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.693 10.802 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.222 8.118 -2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.391 9.080 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.329 5.725 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.503 6.688 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.972 5.005 0.625 1.00 0.00 H new ATOM 529 N GLN A 38 -5.515 11.409 0.279 1.00 0.00 N ATOM 530 CA GLN A 38 -6.732 11.317 1.077 1.00 0.00 C ATOM 531 C GLN A 38 -7.980 11.468 0.209 1.00 0.00 C ATOM 532 O GLN A 38 -8.878 10.627 0.247 1.00 0.00 O ATOM 533 CB GLN A 38 -6.723 12.389 2.167 1.00 0.00 C ATOM 534 CG GLN A 38 -5.556 12.259 3.133 1.00 0.00 C ATOM 535 CD GLN A 38 -5.656 11.020 4.002 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.752 10.548 4.306 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.510 10.487 4.408 1.00 0.00 N ATOM 0 H GLN A 38 -4.928 12.214 0.498 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.759 10.329 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.689 13.373 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.656 12.335 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.624 12.229 2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.515 13.143 3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.624 10.911 4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.515 9.653 4.996 1.00 0.00 H new ATOM 546 N LEU A 39 -8.026 12.543 -0.569 1.00 0.00 N ATOM 547 CA LEU A 39 -9.165 12.810 -1.442 1.00 0.00 C ATOM 548 C LEU A 39 -9.384 11.662 -2.424 1.00 0.00 C ATOM 549 O LEU A 39 -10.510 11.199 -2.611 1.00 0.00 O ATOM 550 CB LEU A 39 -8.951 14.125 -2.202 1.00 0.00 C ATOM 551 CG LEU A 39 -10.206 14.729 -2.844 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.996 16.207 -3.137 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.572 13.986 -4.122 1.00 0.00 C ATOM 0 H LEU A 39 -7.287 13.245 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.056 12.899 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.528 14.857 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.210 13.956 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.030 14.626 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.896 16.619 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.785 16.736 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.156 16.326 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.465 14.432 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.747 14.055 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.766 12.939 -3.891 1.00 0.00 H new ATOM 565 N LEU A 40 -8.302 11.206 -3.046 1.00 0.00 N ATOM 566 CA LEU A 40 -8.376 10.118 -4.016 1.00 0.00 C ATOM 567 C LEU A 40 -8.869 8.829 -3.364 1.00 0.00 C ATOM 568 O LEU A 40 -9.668 8.097 -3.944 1.00 0.00 O ATOM 569 CB LEU A 40 -7.006 9.894 -4.663 1.00 0.00 C ATOM 570 CG LEU A 40 -6.933 8.734 -5.660 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.075 9.116 -6.856 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.378 7.488 -4.987 1.00 0.00 C ATOM 0 H LEU A 40 -7.362 11.573 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.093 10.401 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.710 10.810 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.274 9.719 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.942 8.517 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.033 8.281 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.509 9.984 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.067 9.357 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.333 6.673 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.376 7.694 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.026 7.202 -4.159 1.00 0.00 H new ATOM 584 N GLN A 41 -8.393 8.560 -2.153 1.00 0.00 N ATOM 585 CA GLN A 41 -8.782 7.353 -1.430 1.00 0.00 C ATOM 586 C GLN A 41 -10.290 7.312 -1.184 1.00 0.00 C ATOM 587 O GLN A 41 -10.955 6.336 -1.526 1.00 0.00 O ATOM 588 CB GLN A 41 -8.034 7.272 -0.099 1.00 0.00 C ATOM 589 CG GLN A 41 -8.312 5.997 0.680 1.00 0.00 C ATOM 590 CD GLN A 41 -7.590 5.956 2.012 1.00 0.00 C ATOM 591 OE1 GLN A 41 -8.119 6.397 3.032 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.372 5.426 2.009 1.00 0.00 N ATOM 0 H GLN A 41 -7.738 9.160 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.517 6.494 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.963 7.345 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.308 8.130 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.385 5.907 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.011 5.137 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.972 5.072 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.837 5.373 2.876 1.00 0.00 H new ATOM 601 N ARG A 42 -10.820 8.376 -0.590 1.00 0.00 N ATOM 602 CA ARG A 42 -12.247 8.456 -0.285 1.00 0.00 C ATOM 603 C ARG A 42 -13.095 8.507 -1.553 1.00 0.00 C ATOM 604 O ARG A 42 -14.214 7.995 -1.580 1.00 0.00 O ATOM 605 CB ARG A 42 -12.533 9.689 0.575 1.00 0.00 C ATOM 606 CG ARG A 42 -11.797 9.689 1.905 1.00 0.00 C ATOM 607 CD ARG A 42 -12.109 10.941 2.710 1.00 0.00 C ATOM 608 NE ARG A 42 -11.737 12.156 1.992 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.080 13.381 2.380 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.806 13.556 3.477 1.00 0.00 N ATOM 611 NH2 ARG A 42 -11.698 14.433 1.669 1.00 0.00 N ATOM 0 H ARG A 42 -10.283 9.197 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.516 7.554 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.256 10.583 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.605 9.750 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.078 8.806 2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.723 9.626 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.174 10.968 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.577 10.904 3.661 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.181 12.060 1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.103 12.749 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.067 14.497 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.141 14.303 0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.961 15.372 1.967 1.00 0.00 H new ATOM 625 N ASN A 43 -12.561 9.126 -2.600 1.00 0.00 N ATOM 626 CA ASN A 43 -13.283 9.251 -3.864 1.00 0.00 C ATOM 627 C ASN A 43 -13.649 7.883 -4.438 1.00 0.00 C ATOM 628 O ASN A 43 -14.797 7.650 -4.818 1.00 0.00 O ATOM 629 CB ASN A 43 -12.448 10.035 -4.877 1.00 0.00 C ATOM 630 CG ASN A 43 -13.145 10.174 -6.217 1.00 0.00 C ATOM 631 OD1 ASN A 43 -12.984 9.335 -7.103 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.926 11.237 -6.372 1.00 0.00 N ATOM 0 H ASN A 43 -11.633 9.549 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.208 9.792 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.234 11.026 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.490 9.535 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.421 11.382 -7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.031 11.908 -5.611 1.00 0.00 H new ATOM 639 N PHE A 44 -12.672 6.982 -4.499 1.00 0.00 N ATOM 640 CA PHE A 44 -12.900 5.644 -5.035 1.00 0.00 C ATOM 641 C PHE A 44 -13.590 4.741 -4.016 1.00 0.00 C ATOM 642 O PHE A 44 -14.526 4.019 -4.355 1.00 0.00 O ATOM 643 CB PHE A 44 -11.581 5.017 -5.490 1.00 0.00 C ATOM 644 CG PHE A 44 -11.061 5.592 -6.776 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.229 6.698 -6.768 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.409 5.028 -7.993 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.751 7.232 -7.949 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.935 5.558 -9.179 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.105 6.662 -9.156 1.00 0.00 C ATOM 0 H PHE A 44 -11.717 7.154 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.561 5.743 -5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.833 5.156 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.720 3.943 -5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.950 7.149 -5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.058 4.165 -8.015 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.101 8.094 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.213 5.110 -10.121 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.734 7.079 -10.081 1.00 0.00 H new ATOM 659 N MET A 45 -13.125 4.783 -2.770 1.00 0.00 N ATOM 660 CA MET A 45 -13.706 3.962 -1.712 1.00 0.00 C ATOM 661 C MET A 45 -15.200 4.233 -1.561 1.00 0.00 C ATOM 662 O MET A 45 -15.947 3.382 -1.080 1.00 0.00 O ATOM 663 CB MET A 45 -12.995 4.211 -0.380 1.00 0.00 C ATOM 664 CG MET A 45 -11.600 3.608 -0.313 1.00 0.00 C ATOM 665 SD MET A 45 -10.849 3.765 1.319 1.00 0.00 S ATOM 666 CE MET A 45 -12.001 2.820 2.312 1.00 0.00 C ATOM 0 H MET A 45 -12.350 5.375 -2.469 1.00 0.00 H new ATOM 0 HA MET A 45 -13.571 2.918 -1.995 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.926 5.285 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.599 3.798 0.428 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.651 2.554 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.962 4.096 -1.050 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.449 2.177 2.997 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.633 3.501 2.883 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.624 2.206 1.661 1.00 0.00 H new ATOM 676 N ASP A 46 -15.628 5.422 -1.972 1.00 0.00 N ATOM 677 CA ASP A 46 -17.034 5.801 -1.884 1.00 0.00 C ATOM 678 C ASP A 46 -17.907 4.849 -2.697 1.00 0.00 C ATOM 679 O ASP A 46 -19.062 4.604 -2.352 1.00 0.00 O ATOM 680 CB ASP A 46 -17.231 7.236 -2.376 1.00 0.00 C ATOM 681 CG ASP A 46 -18.666 7.704 -2.231 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.089 7.975 -1.087 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.368 7.798 -3.261 1.00 0.00 O ATOM 0 H ASP A 46 -15.022 6.140 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.335 5.739 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.576 7.903 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.934 7.303 -3.423 1.00 0.00 H new ATOM 688 N LYS A 47 -17.346 4.322 -3.781 1.00 0.00 N ATOM 689 CA LYS A 47 -18.069 3.397 -4.646 1.00 0.00 C ATOM 690 C LYS A 47 -17.776 1.950 -4.265 1.00 0.00 C ATOM 691 O LYS A 47 -18.684 1.125 -4.160 1.00 0.00 O ATOM 692 CB LYS A 47 -17.678 3.632 -6.106 1.00 0.00 C ATOM 693 CG LYS A 47 -18.572 2.916 -7.105 1.00 0.00 C ATOM 694 CD LYS A 47 -19.998 3.442 -7.058 1.00 0.00 C ATOM 695 CE LYS A 47 -20.884 2.729 -8.065 1.00 0.00 C ATOM 696 NZ LYS A 47 -20.955 1.265 -7.802 1.00 0.00 N ATOM 0 H LYS A 47 -16.392 4.520 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.136 3.579 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.704 4.702 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.649 3.304 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.170 3.043 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.571 1.847 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.404 3.309 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.000 4.513 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.887 3.153 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.500 2.899 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.739 0.852 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.061 0.817 -8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.115 1.102 -6.787 1.00 0.00 H new ATOM 710 N TYR A 48 -16.498 1.653 -4.072 1.00 0.00 N ATOM 711 CA TYR A 48 -16.063 0.308 -3.706 1.00 0.00 C ATOM 712 C TYR A 48 -16.797 -0.208 -2.469 1.00 0.00 C ATOM 713 O TYR A 48 -17.266 -1.345 -2.452 1.00 0.00 O ATOM 714 CB TYR A 48 -14.552 0.291 -3.454 1.00 0.00 C ATOM 715 CG TYR A 48 -13.716 0.317 -4.716 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.877 1.319 -5.665 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.760 -0.665 -4.956 1.00 0.00 C ATOM 718 CE1 TYR A 48 -13.112 1.343 -6.816 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.990 -0.646 -6.103 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.170 0.359 -7.030 1.00 0.00 C ATOM 721 OH TYR A 48 -11.404 0.381 -8.173 1.00 0.00 O ATOM 0 H TYR A 48 -15.739 2.328 -4.163 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.303 -0.352 -4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.287 1.150 -2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.300 -0.602 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.613 2.092 -5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.617 -1.455 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.251 2.128 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.251 -1.415 -6.273 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.458 0.286 -7.935 1.00 0.00 H new ATOM 731 N TYR A 49 -16.899 0.627 -1.439 1.00 0.00 N ATOM 732 CA TYR A 49 -17.568 0.230 -0.202 1.00 0.00 C ATOM 733 C TYR A 49 -19.058 -0.013 -0.434 1.00 0.00 C ATOM 734 O TYR A 49 -19.720 -0.667 0.372 1.00 0.00 O ATOM 735 CB TYR A 49 -17.342 1.283 0.896 1.00 0.00 C ATOM 736 CG TYR A 49 -18.527 2.190 1.166 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.763 3.311 0.380 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.399 1.931 2.217 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.835 4.147 0.633 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.474 2.761 2.474 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.688 3.868 1.680 1.00 0.00 C ATOM 742 OH TYR A 49 -21.754 4.699 1.935 1.00 0.00 O ATOM 0 H TYR A 49 -16.530 1.578 -1.435 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.131 -0.710 0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.077 0.771 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.487 1.900 0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.098 3.533 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.234 1.067 2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.004 5.015 0.013 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.143 2.543 3.293 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.256 4.360 2.705 1.00 0.00 H new ATOM 752 N LEU A 50 -19.579 0.512 -1.539 1.00 0.00 N ATOM 753 CA LEU A 50 -20.989 0.335 -1.875 1.00 0.00 C ATOM 754 C LEU A 50 -21.219 -1.022 -2.530 1.00 0.00 C ATOM 755 O LEU A 50 -22.182 -1.721 -2.213 1.00 0.00 O ATOM 756 CB LEU A 50 -21.467 1.450 -2.810 1.00 0.00 C ATOM 757 CG LEU A 50 -21.637 2.822 -2.157 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.988 3.869 -3.202 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.709 2.769 -1.078 1.00 0.00 C ATOM 0 H LEU A 50 -19.049 1.062 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.563 0.382 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.756 1.542 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.421 1.152 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.692 3.101 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.105 4.839 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.190 3.926 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.921 3.593 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.817 3.754 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.658 2.468 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.421 2.047 -0.314 1.00 0.00 H new ATOM 771 N GLU A 51 -20.328 -1.387 -3.447 1.00 0.00 N ATOM 772 CA GLU A 51 -20.428 -2.661 -4.150 1.00 0.00 C ATOM 773 C GLU A 51 -20.172 -3.829 -3.202 1.00 0.00 C ATOM 774 O GLU A 51 -20.823 -4.869 -3.294 1.00 0.00 O ATOM 775 CB GLU A 51 -19.438 -2.705 -5.315 1.00 0.00 C ATOM 776 CG GLU A 51 -19.741 -1.694 -6.407 1.00 0.00 C ATOM 777 CD GLU A 51 -18.767 -1.778 -7.565 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.711 -1.113 -7.501 1.00 0.00 O ATOM 779 OE2 GLU A 51 -19.059 -2.507 -8.536 1.00 0.00 O ATOM 0 H GLU A 51 -19.527 -0.817 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.441 -2.752 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.433 -2.526 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.441 -3.706 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.754 -1.856 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.712 -0.689 -5.985 1.00 0.00 H new ATOM 786 N PHE A 52 -19.218 -3.650 -2.292 1.00 0.00 N ATOM 787 CA PHE A 52 -18.879 -4.690 -1.328 1.00 0.00 C ATOM 788 C PHE A 52 -19.899 -4.733 -0.197 1.00 0.00 C ATOM 789 O PHE A 52 -19.720 -4.098 0.842 1.00 0.00 O ATOM 790 CB PHE A 52 -17.475 -4.459 -0.759 1.00 0.00 C ATOM 791 CG PHE A 52 -16.368 -4.829 -1.707 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.230 -4.177 -2.923 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.464 -5.827 -1.382 1.00 0.00 C ATOM 794 CE1 PHE A 52 -15.212 -4.514 -3.795 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.444 -6.168 -2.250 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.317 -5.511 -3.458 1.00 0.00 C ATOM 0 H PHE A 52 -18.668 -2.796 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.895 -5.648 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.372 -3.409 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.365 -5.038 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.926 -3.396 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.557 -6.345 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -15.116 -3.998 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.746 -6.948 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.520 -5.776 -4.137 1.00 0.00 H new ATOM 806 N GLU A 53 -20.979 -5.477 -0.414 1.00 0.00 N ATOM 807 CA GLU A 53 -22.032 -5.608 0.586 1.00 0.00 C ATOM 808 C GLU A 53 -21.906 -6.931 1.334 1.00 0.00 C ATOM 809 O GLU A 53 -21.449 -7.928 0.776 1.00 0.00 O ATOM 810 CB GLU A 53 -23.408 -5.509 -0.074 1.00 0.00 C ATOM 811 CG GLU A 53 -23.664 -4.173 -0.750 1.00 0.00 C ATOM 812 CD GLU A 53 -25.034 -4.102 -1.398 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.010 -3.783 -0.687 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.128 -4.362 -2.615 1.00 0.00 O ATOM 0 H GLU A 53 -21.148 -5.999 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.924 -4.794 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.506 -6.305 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.176 -5.678 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.572 -3.374 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.899 -4.000 -1.506 1.00 0.00 H new ATOM 821 N ASP A 54 -22.312 -6.931 2.599 1.00 0.00 N ATOM 822 CA ASP A 54 -22.242 -8.133 3.421 1.00 0.00 C ATOM 823 C ASP A 54 -23.417 -9.058 3.129 1.00 0.00 C ATOM 824 O ASP A 54 -24.508 -8.886 3.674 1.00 0.00 O ATOM 825 CB ASP A 54 -22.223 -7.761 4.904 1.00 0.00 C ATOM 826 CG ASP A 54 -22.163 -8.980 5.804 1.00 0.00 C ATOM 827 OD1 ASP A 54 -21.054 -9.516 6.004 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.227 -9.398 6.308 1.00 0.00 O ATOM 0 H ASP A 54 -22.692 -6.114 3.077 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.320 -8.660 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.363 -7.122 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.114 -7.180 5.142 1.00 0.00 H new ATOM 833 N THR A 55 -23.188 -10.038 2.261 1.00 0.00 N ATOM 834 CA THR A 55 -24.224 -10.996 1.890 1.00 0.00 C ATOM 835 C THR A 55 -23.647 -12.401 1.764 1.00 0.00 C ATOM 836 O THR A 55 -22.461 -12.622 2.011 1.00 0.00 O ATOM 837 CB THR A 55 -24.896 -10.611 0.559 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.914 -10.524 -0.479 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.626 -9.281 0.683 1.00 0.00 C ATOM 0 H THR A 55 -22.291 -10.190 1.800 1.00 0.00 H new ATOM 0 HA THR A 55 -24.971 -10.979 2.683 1.00 0.00 H new ATOM 0 HB THR A 55 -25.622 -11.384 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 55 -24.350 -10.280 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 55 -26.092 -9.031 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 55 -26.394 -9.358 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.916 -8.500 0.955 1.00 0.00 H new ATOM 847 N GLU A 56 -24.495 -13.351 1.378 1.00 0.00 N ATOM 848 CA GLU A 56 -24.068 -14.735 1.215 1.00 0.00 C ATOM 849 C GLU A 56 -23.763 -15.039 -0.247 1.00 0.00 C ATOM 850 O GLU A 56 -23.428 -16.170 -0.601 1.00 0.00 O ATOM 851 CB GLU A 56 -25.144 -15.687 1.740 1.00 0.00 C ATOM 852 CG GLU A 56 -26.471 -15.575 1.008 1.00 0.00 C ATOM 853 CD GLU A 56 -27.532 -16.496 1.579 1.00 0.00 C ATOM 854 OE1 GLU A 56 -27.594 -17.667 1.149 1.00 0.00 O ATOM 855 OE2 GLU A 56 -28.299 -16.046 2.454 1.00 0.00 O ATOM 0 H GLU A 56 -25.481 -13.186 1.173 1.00 0.00 H new ATOM 0 HA GLU A 56 -23.155 -14.881 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.780 -16.711 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -25.306 -15.489 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -26.824 -14.545 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -26.321 -15.809 -0.046 1.00 0.00 H new ATOM 862 N GLU A 57 -23.879 -14.021 -1.094 1.00 0.00 N ATOM 863 CA GLU A 57 -23.615 -14.177 -2.520 1.00 0.00 C ATOM 864 C GLU A 57 -22.182 -13.782 -2.858 1.00 0.00 C ATOM 865 O GLU A 57 -21.561 -12.988 -2.150 1.00 0.00 O ATOM 866 CB GLU A 57 -24.594 -13.335 -3.340 1.00 0.00 C ATOM 867 CG GLU A 57 -26.050 -13.712 -3.130 1.00 0.00 C ATOM 868 CD GLU A 57 -26.994 -12.883 -3.978 1.00 0.00 C ATOM 869 OE1 GLU A 57 -27.238 -13.267 -5.142 1.00 0.00 O ATOM 870 OE2 GLU A 57 -27.491 -11.852 -3.480 1.00 0.00 O ATOM 0 H GLU A 57 -24.154 -13.079 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.752 -15.229 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.459 -12.284 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.350 -13.438 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -26.186 -14.767 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -26.306 -13.586 -2.078 1.00 0.00 H new ATOM 877 N ASN A 58 -21.663 -14.343 -3.946 1.00 0.00 N ATOM 878 CA ASN A 58 -20.304 -14.051 -4.388 1.00 0.00 C ATOM 879 C ASN A 58 -20.229 -14.021 -5.911 1.00 0.00 C ATOM 880 O ASN A 58 -20.353 -15.055 -6.568 1.00 0.00 O ATOM 881 CB ASN A 58 -19.332 -15.095 -3.835 1.00 0.00 C ATOM 882 CG ASN A 58 -17.904 -14.849 -4.283 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.144 -14.147 -3.615 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.531 -15.428 -5.418 1.00 0.00 N ATOM 0 H ASN A 58 -22.165 -15.004 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 58 -20.023 -13.069 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.375 -15.087 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -19.646 -16.087 -4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.582 -15.299 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.194 -16.002 -5.940 1.00 0.00 H new ATOM 891 N LYS A 59 -20.030 -12.829 -6.466 1.00 0.00 N ATOM 892 CA LYS A 59 -19.943 -12.665 -7.913 1.00 0.00 C ATOM 893 C LYS A 59 -18.491 -12.553 -8.366 1.00 0.00 C ATOM 894 O LYS A 59 -17.591 -12.342 -7.554 1.00 0.00 O ATOM 895 CB LYS A 59 -20.729 -11.428 -8.355 1.00 0.00 C ATOM 896 CG LYS A 59 -22.206 -11.488 -7.998 1.00 0.00 C ATOM 897 CD LYS A 59 -22.956 -10.259 -8.491 1.00 0.00 C ATOM 898 CE LYS A 59 -22.504 -8.998 -7.770 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.301 -7.809 -8.179 1.00 0.00 N ATOM 0 H LYS A 59 -19.926 -11.964 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.378 -13.549 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.288 -10.544 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.629 -11.310 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.649 -12.384 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.316 -11.572 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.798 -10.142 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.026 -10.401 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.595 -9.143 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.450 -8.818 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.962 -6.971 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.195 -7.655 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.304 -7.970 -7.956 1.00 0.00 H new ATOM 913 N LEU A 60 -18.271 -12.701 -9.669 1.00 0.00 N ATOM 914 CA LEU A 60 -16.931 -12.620 -10.239 1.00 0.00 C ATOM 915 C LEU A 60 -16.500 -11.166 -10.411 1.00 0.00 C ATOM 916 O LEU A 60 -15.344 -10.884 -10.723 1.00 0.00 O ATOM 917 CB LEU A 60 -16.890 -13.343 -11.589 1.00 0.00 C ATOM 918 CG LEU A 60 -15.508 -13.438 -12.239 1.00 0.00 C ATOM 919 CD1 LEU A 60 -14.594 -14.337 -11.421 1.00 0.00 C ATOM 920 CD2 LEU A 60 -15.625 -13.950 -13.667 1.00 0.00 C ATOM 0 H LEU A 60 -19.007 -12.878 -10.352 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.237 -13.104 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.280 -14.352 -11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.562 -12.831 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.071 -12.440 -12.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.616 -14.393 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.485 -13.928 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.025 -15.336 -11.361 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.633 -14.011 -14.114 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.083 -14.939 -13.662 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.244 -13.267 -14.249 1.00 0.00 H new ATOM 932 N ILE A 61 -17.438 -10.247 -10.200 1.00 0.00 N ATOM 933 CA ILE A 61 -17.165 -8.819 -10.343 1.00 0.00 C ATOM 934 C ILE A 61 -16.084 -8.347 -9.369 1.00 0.00 C ATOM 935 O ILE A 61 -15.513 -7.268 -9.538 1.00 0.00 O ATOM 936 CB ILE A 61 -18.446 -7.986 -10.130 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.233 -6.543 -10.596 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.870 -8.017 -8.669 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.049 -6.411 -12.092 1.00 0.00 C ATOM 0 H ILE A 61 -18.397 -10.466 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 61 -16.803 -8.669 -11.360 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.244 -8.427 -10.728 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.088 -5.941 -10.289 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.357 -6.133 -10.093 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.775 -7.424 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.065 -9.046 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.074 -7.603 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.903 -5.362 -12.350 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.177 -6.986 -12.403 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -18.934 -6.790 -12.602 1.00 0.00 H new ATOM 951 N TYR A 62 -15.798 -9.159 -8.358 1.00 0.00 N ATOM 952 CA TYR A 62 -14.788 -8.808 -7.365 1.00 0.00 C ATOM 953 C TYR A 62 -13.381 -8.854 -7.957 1.00 0.00 C ATOM 954 O TYR A 62 -12.470 -8.191 -7.460 1.00 0.00 O ATOM 955 CB TYR A 62 -14.873 -9.747 -6.158 1.00 0.00 C ATOM 956 CG TYR A 62 -16.094 -9.520 -5.293 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.269 -8.323 -4.608 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.067 -10.501 -5.158 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.380 -8.112 -3.813 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.181 -10.298 -4.366 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.332 -9.103 -3.696 1.00 0.00 C ATOM 962 OH TYR A 62 -19.439 -8.897 -2.904 1.00 0.00 O ATOM 0 H TYR A 62 -16.248 -10.061 -8.204 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.989 -7.787 -7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.876 -10.778 -6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.978 -9.621 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.525 -7.545 -4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.951 -11.439 -5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.502 -7.177 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.929 -11.071 -4.273 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.012 -9.691 -2.930 1.00 0.00 H new ATOM 972 N THR A 63 -13.206 -9.632 -9.021 1.00 0.00 N ATOM 973 CA THR A 63 -11.901 -9.758 -9.665 1.00 0.00 C ATOM 974 C THR A 63 -11.523 -8.493 -10.447 1.00 0.00 C ATOM 975 O THR A 63 -10.438 -7.949 -10.245 1.00 0.00 O ATOM 976 CB THR A 63 -11.844 -10.982 -10.604 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.164 -12.172 -9.875 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.463 -11.124 -11.228 1.00 0.00 C ATOM 0 H THR A 63 -13.947 -10.183 -9.455 1.00 0.00 H new ATOM 0 HA THR A 63 -11.177 -9.898 -8.862 1.00 0.00 H new ATOM 0 HB THR A 63 -12.573 -10.834 -11.401 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.128 -12.944 -10.477 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.448 -11.993 -11.885 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.231 -10.229 -11.805 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.720 -11.251 -10.441 1.00 0.00 H new ATOM 986 N PRO A 64 -12.400 -8.000 -11.351 1.00 0.00 N ATOM 987 CA PRO A 64 -12.115 -6.793 -12.135 1.00 0.00 C ATOM 988 C PRO A 64 -11.999 -5.549 -11.259 1.00 0.00 C ATOM 989 O PRO A 64 -11.092 -4.736 -11.441 1.00 0.00 O ATOM 990 CB PRO A 64 -13.318 -6.675 -13.076 1.00 0.00 C ATOM 991 CG PRO A 64 -14.402 -7.440 -12.403 1.00 0.00 C ATOM 992 CD PRO A 64 -13.718 -8.569 -11.690 1.00 0.00 C ATOM 0 HA PRO A 64 -11.161 -6.867 -12.657 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.603 -5.634 -13.226 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.093 -7.088 -14.059 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.950 -6.809 -11.703 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.125 -7.815 -13.128 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.267 -8.874 -10.799 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.626 -9.450 -12.325 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.921 -5.406 -10.311 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.914 -4.260 -9.408 1.00 0.00 C ATOM 1002 C ILE A 65 -11.608 -4.191 -8.620 1.00 0.00 C ATOM 1003 O ILE A 65 -11.007 -3.123 -8.488 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.099 -4.307 -8.423 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.424 -4.240 -9.186 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.004 -3.169 -7.414 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.642 -4.425 -8.307 1.00 0.00 C ATOM 0 H ILE A 65 -13.680 -6.068 -10.149 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.009 -3.369 -10.028 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.059 -5.250 -7.877 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.494 -3.276 -9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.426 -5.007 -9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.849 -3.220 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.074 -3.258 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.020 -2.214 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.543 -4.365 -8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.596 -5.400 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.665 -3.643 -7.548 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.174 -5.336 -8.099 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.939 -5.404 -7.328 1.00 0.00 C ATOM 1021 C PHE A 66 -8.750 -4.945 -8.168 1.00 0.00 C ATOM 1022 O PHE A 66 -7.919 -4.160 -7.708 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.710 -6.831 -6.824 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.486 -6.977 -5.964 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.464 -6.470 -4.674 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.360 -7.625 -6.446 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.339 -6.604 -3.882 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.233 -7.763 -5.657 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.222 -7.252 -4.374 1.00 0.00 C ATOM 0 H PHE A 66 -11.660 -6.228 -8.197 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.032 -4.736 -6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.583 -7.151 -6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.624 -7.500 -7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.335 -5.965 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.363 -8.027 -7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.333 -6.203 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.362 -8.270 -6.044 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.342 -7.359 -3.757 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.678 -5.437 -9.403 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.594 -5.074 -10.309 1.00 0.00 C ATOM 1041 C ASN A 67 -7.517 -3.561 -10.481 1.00 0.00 C ATOM 1042 O ASN A 67 -6.430 -2.993 -10.582 1.00 0.00 O ATOM 1043 CB ASN A 67 -7.785 -5.747 -11.670 1.00 0.00 C ATOM 1044 CG ASN A 67 -7.715 -7.259 -11.586 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.028 -7.814 -10.730 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.428 -7.933 -12.481 1.00 0.00 N ATOM 0 H ASN A 67 -9.357 -6.087 -9.798 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.658 -5.422 -9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.750 -5.454 -12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.020 -5.389 -12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.420 -8.953 -12.476 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.984 -7.431 -13.173 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.679 -2.914 -10.515 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.743 -1.466 -10.672 1.00 0.00 C ATOM 1055 C GLU A 68 -8.079 -0.770 -9.490 1.00 0.00 C ATOM 1056 O GLU A 68 -7.324 0.185 -9.663 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.197 -1.005 -10.799 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.346 0.493 -11.016 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.658 0.972 -12.279 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.463 1.327 -12.207 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.316 0.991 -13.341 1.00 0.00 O ATOM 0 H GLU A 68 -9.588 -3.370 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.208 -1.198 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.665 -1.532 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.739 -1.288 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.405 0.745 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.932 1.023 -10.158 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.372 -1.257 -8.288 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.803 -0.691 -7.069 1.00 0.00 C ATOM 1070 C TYR A 69 -6.280 -0.778 -7.099 1.00 0.00 C ATOM 1071 O TYR A 69 -5.581 0.074 -6.547 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.347 -1.431 -5.846 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.962 -0.801 -4.528 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.745 0.195 -3.961 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.820 -1.207 -3.848 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.400 0.773 -2.754 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.470 -0.636 -2.639 1.00 0.00 C ATOM 1078 CZ TYR A 69 -7.263 0.353 -2.097 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.917 0.924 -0.894 1.00 0.00 O ATOM 0 H TYR A 69 -9.002 -2.044 -8.132 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.089 0.359 -7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.434 -1.474 -5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.986 -2.459 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.638 0.524 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.196 -1.981 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.018 1.550 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.580 -0.963 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.090 0.515 -0.563 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.771 -1.819 -7.747 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.334 -2.022 -7.856 1.00 0.00 C ATOM 1091 C ILE A 70 -3.707 -1.026 -8.830 1.00 0.00 C ATOM 1092 O ILE A 70 -2.821 -0.256 -8.463 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.011 -3.457 -8.318 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.689 -4.482 -7.399 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.505 -3.681 -8.354 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.267 -4.379 -5.948 1.00 0.00 C ATOM 0 H ILE A 70 -6.334 -2.536 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.911 -1.862 -6.864 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.400 -3.591 -9.327 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.770 -4.354 -7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.465 -5.485 -7.762 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.296 -4.699 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.049 -2.975 -9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.091 -3.529 -7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.789 -5.136 -5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.191 -4.538 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.516 -3.389 -5.566 1.00 0.00 H new ATOM 1108 N SER A 71 -4.178 -1.039 -10.070 1.00 0.00 N ATOM 1109 CA SER A 71 -3.656 -0.143 -11.098 1.00 0.00 C ATOM 1110 C SER A 71 -3.883 1.324 -10.739 1.00 0.00 C ATOM 1111 O SER A 71 -3.180 2.203 -11.233 1.00 0.00 O ATOM 1112 CB SER A 71 -4.305 -0.454 -12.449 1.00 0.00 C ATOM 1113 OG SER A 71 -4.067 -1.799 -12.830 1.00 0.00 O ATOM 0 H SER A 71 -4.921 -1.660 -10.390 1.00 0.00 H new ATOM 0 HA SER A 71 -2.581 -0.309 -11.163 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.378 -0.273 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.909 0.219 -13.210 1.00 0.00 H new ATOM 0 HG SER A 71 -4.493 -1.974 -13.695 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.886 1.593 -9.908 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.179 2.965 -9.504 1.00 0.00 C ATOM 1121 C LEU A 72 -4.431 3.350 -8.226 1.00 0.00 C ATOM 1122 O LEU A 72 -3.568 4.230 -8.241 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.693 3.142 -9.310 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.200 4.586 -9.164 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.926 5.125 -7.768 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.574 5.491 -10.216 1.00 0.00 C ATOM 0 H LEU A 72 -5.503 0.888 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.836 3.629 -10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.202 2.686 -10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.991 2.584 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.279 4.575 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.295 6.148 -7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.433 4.502 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.853 5.112 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.949 6.507 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.490 5.487 -10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.834 5.128 -11.210 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.758 2.675 -7.126 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.139 2.963 -5.833 1.00 0.00 C ATOM 1140 C VAL A 73 -2.707 2.446 -5.734 1.00 0.00 C ATOM 1141 O VAL A 73 -1.774 3.228 -5.550 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.966 2.373 -4.674 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.338 2.725 -3.332 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.402 2.869 -4.742 1.00 0.00 C ATOM 0 H VAL A 73 -5.448 1.924 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.114 4.050 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.971 1.287 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.937 2.299 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.327 2.320 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.300 3.809 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.973 2.444 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.415 3.957 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.848 2.563 -5.688 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.535 1.131 -5.853 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.205 0.528 -5.749 1.00 0.00 C ATOM 1156 C GLU A 74 -0.216 1.192 -6.705 1.00 0.00 C ATOM 1157 O GLU A 74 0.942 1.426 -6.351 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.262 -0.978 -6.018 1.00 0.00 C ATOM 1159 CG GLU A 74 0.082 -1.672 -5.858 1.00 0.00 C ATOM 1160 CD GLU A 74 0.011 -3.159 -6.139 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.429 -3.913 -5.246 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.397 -3.571 -7.254 1.00 0.00 O ATOM 0 H GLU A 74 -3.291 0.467 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.856 0.688 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.981 -1.434 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.630 -1.145 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.805 -1.213 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.448 -1.516 -4.843 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.675 1.497 -7.912 1.00 0.00 N ATOM 1170 CA LYS A 75 0.178 2.133 -8.907 1.00 0.00 C ATOM 1171 C LYS A 75 0.483 3.573 -8.508 1.00 0.00 C ATOM 1172 O LYS A 75 1.570 4.082 -8.775 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.487 2.098 -10.282 1.00 0.00 C ATOM 1174 CG LYS A 75 0.424 2.541 -11.413 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.337 2.674 -12.723 1.00 0.00 C ATOM 1176 CE LYS A 75 0.572 3.131 -13.852 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.211 4.443 -13.553 1.00 0.00 N ATOM 0 H LYS A 75 -1.629 1.315 -8.225 1.00 0.00 H new ATOM 0 HA LYS A 75 1.116 1.579 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.833 1.084 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.369 2.739 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.883 3.497 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.233 1.821 -11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.787 1.716 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.153 3.387 -12.600 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.345 2.381 -14.022 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.005 3.210 -14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.007 5.112 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.833 4.818 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.240 4.317 -13.468 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.487 4.227 -7.869 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.318 5.609 -7.428 1.00 0.00 C ATOM 1193 C TYR A 76 0.890 5.741 -6.503 1.00 0.00 C ATOM 1194 O TYR A 76 1.702 6.653 -6.656 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.581 6.098 -6.714 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.535 7.561 -6.328 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.821 8.554 -7.255 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.207 7.947 -5.034 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.781 9.891 -6.906 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.164 9.282 -4.677 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.453 10.249 -5.616 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.411 11.579 -5.265 1.00 0.00 O ATOM 0 H TYR A 76 -1.396 3.822 -7.646 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.147 6.227 -8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.442 5.929 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.735 5.499 -5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.079 8.277 -8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.982 7.192 -4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.005 10.651 -7.640 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.905 9.566 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.165 11.660 -4.320 1.00 0.00 H new ATOM 1212 N ILE A 77 1.004 4.825 -5.543 1.00 0.00 N ATOM 1213 CA ILE A 77 2.114 4.842 -4.595 1.00 0.00 C ATOM 1214 C ILE A 77 3.443 4.574 -5.294 1.00 0.00 C ATOM 1215 O ILE A 77 4.425 5.285 -5.072 1.00 0.00 O ATOM 1216 CB ILE A 77 1.917 3.798 -3.473 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.644 4.101 -2.679 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.130 3.775 -2.551 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.296 3.036 -1.658 1.00 0.00 C ATOM 0 H ILE A 77 0.341 4.063 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 77 2.133 5.839 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 77 1.812 2.814 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.763 5.056 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.189 4.213 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.976 3.035 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.019 3.515 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.264 4.759 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.617 3.319 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.144 2.083 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.111 2.940 -0.940 1.00 0.00 H new ATOM 1231 N GLU A 78 3.469 3.544 -6.133 1.00 0.00 N ATOM 1232 CA GLU A 78 4.683 3.178 -6.858 1.00 0.00 C ATOM 1233 C GLU A 78 5.222 4.352 -7.673 1.00 0.00 C ATOM 1234 O GLU A 78 6.425 4.610 -7.680 1.00 0.00 O ATOM 1235 CB GLU A 78 4.415 1.987 -7.779 1.00 0.00 C ATOM 1236 CG GLU A 78 5.647 1.511 -8.531 1.00 0.00 C ATOM 1237 CD GLU A 78 5.359 0.328 -9.436 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.966 0.554 -10.600 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.528 -0.821 -8.980 1.00 0.00 O ATOM 0 H GLU A 78 2.665 2.948 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 78 5.436 2.901 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.020 1.162 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.644 2.261 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.043 2.332 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.421 1.235 -7.815 1.00 0.00 H new ATOM 1246 N GLU A 79 4.327 5.059 -8.354 1.00 0.00 N ATOM 1247 CA GLU A 79 4.718 6.199 -9.180 1.00 0.00 C ATOM 1248 C GLU A 79 5.356 7.302 -8.340 1.00 0.00 C ATOM 1249 O GLU A 79 6.421 7.817 -8.686 1.00 0.00 O ATOM 1250 CB GLU A 79 3.504 6.755 -9.929 1.00 0.00 C ATOM 1251 CG GLU A 79 2.927 5.795 -10.957 1.00 0.00 C ATOM 1252 CD GLU A 79 3.875 5.532 -12.112 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.777 4.681 -11.956 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.716 6.175 -13.169 1.00 0.00 O ATOM 0 H GLU A 79 3.326 4.864 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 79 5.457 5.848 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.728 7.009 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.790 7.680 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.684 4.851 -10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.993 6.203 -11.345 1.00 0.00 H new ATOM 1261 N GLN A 80 4.703 7.659 -7.238 1.00 0.00 N ATOM 1262 CA GLN A 80 5.205 8.708 -6.355 1.00 0.00 C ATOM 1263 C GLN A 80 6.600 8.374 -5.834 1.00 0.00 C ATOM 1264 O GLN A 80 7.403 9.269 -5.569 1.00 0.00 O ATOM 1265 CB GLN A 80 4.244 8.917 -5.181 1.00 0.00 C ATOM 1266 CG GLN A 80 2.859 9.392 -5.598 1.00 0.00 C ATOM 1267 CD GLN A 80 2.846 10.835 -6.071 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.835 11.337 -6.606 1.00 0.00 O ATOM 1269 NE2 GLN A 80 1.720 11.510 -5.875 1.00 0.00 N ATOM 0 H GLN A 80 3.825 7.238 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 80 5.271 9.629 -6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.147 7.980 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.676 9.645 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.485 8.750 -6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.175 9.285 -4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.924 11.055 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.651 12.483 -6.172 1.00 0.00 H new ATOM 1278 N LEU A 81 6.884 7.083 -5.690 1.00 0.00 N ATOM 1279 CA LEU A 81 8.185 6.638 -5.203 1.00 0.00 C ATOM 1280 C LEU A 81 9.245 6.741 -6.295 1.00 0.00 C ATOM 1281 O LEU A 81 10.406 7.039 -6.018 1.00 0.00 O ATOM 1282 CB LEU A 81 8.097 5.199 -4.687 1.00 0.00 C ATOM 1283 CG LEU A 81 7.253 5.014 -3.425 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.066 3.536 -3.118 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.897 5.724 -2.243 1.00 0.00 C ATOM 0 H LEU A 81 6.232 6.328 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 81 8.478 7.292 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.685 4.571 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.106 4.839 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 81 6.272 5.456 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.463 3.425 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.561 3.052 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.039 3.071 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.283 5.581 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.890 5.311 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.980 6.789 -2.460 1.00 0.00 H new ATOM 1297 N LEU A 82 8.836 6.493 -7.538 1.00 0.00 N ATOM 1298 CA LEU A 82 9.754 6.557 -8.671 1.00 0.00 C ATOM 1299 C LEU A 82 10.190 7.993 -8.949 1.00 0.00 C ATOM 1300 O LEU A 82 11.282 8.228 -9.467 1.00 0.00 O ATOM 1301 CB LEU A 82 9.103 5.959 -9.921 1.00 0.00 C ATOM 1302 CG LEU A 82 8.801 4.460 -9.848 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.985 4.020 -11.054 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.093 3.658 -9.757 1.00 0.00 C ATOM 0 H LEU A 82 7.877 6.247 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 82 10.639 5.974 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.172 6.491 -10.116 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.758 6.140 -10.773 1.00 0.00 H new ATOM 0 HG LEU A 82 8.215 4.272 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.780 2.952 -10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.044 4.569 -11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.546 4.223 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.858 2.595 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.705 3.853 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.641 3.952 -8.862 1.00 0.00 H new ATOM 1316 N GLN A 83 9.332 8.949 -8.604 1.00 0.00 N ATOM 1317 CA GLN A 83 9.632 10.362 -8.818 1.00 0.00 C ATOM 1318 C GLN A 83 10.878 10.779 -8.045 1.00 0.00 C ATOM 1319 O GLN A 83 11.488 11.806 -8.341 1.00 0.00 O ATOM 1320 CB GLN A 83 8.444 11.228 -8.398 1.00 0.00 C ATOM 1321 CG GLN A 83 7.196 10.994 -9.234 1.00 0.00 C ATOM 1322 CD GLN A 83 7.388 11.382 -10.687 1.00 0.00 C ATOM 1323 OE1 GLN A 83 7.137 12.523 -11.075 1.00 0.00 O ATOM 1324 NE2 GLN A 83 7.838 10.431 -11.498 1.00 0.00 N ATOM 0 H GLN A 83 8.424 8.771 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 83 9.821 10.508 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.213 11.030 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.727 12.278 -8.469 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.916 9.942 -9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.369 11.567 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.033 9.499 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.989 10.633 -12.486 1.00 0.00 H new ATOM 1333 N ARG A 84 11.249 9.976 -7.052 1.00 0.00 N ATOM 1334 CA ARG A 84 12.424 10.263 -6.237 1.00 0.00 C ATOM 1335 C ARG A 84 13.475 9.167 -6.398 1.00 0.00 C ATOM 1336 O ARG A 84 14.669 9.408 -6.225 1.00 0.00 O ATOM 1337 CB ARG A 84 12.025 10.402 -4.765 1.00 0.00 C ATOM 1338 CG ARG A 84 13.197 10.675 -3.832 1.00 0.00 C ATOM 1339 CD ARG A 84 13.875 11.998 -4.153 1.00 0.00 C ATOM 1340 NE ARG A 84 12.958 13.128 -4.028 1.00 0.00 N ATOM 1341 CZ ARG A 84 13.262 14.370 -4.393 1.00 0.00 C ATOM 1342 NH1 ARG A 84 14.454 14.642 -4.907 1.00 0.00 N ATOM 1343 NH2 ARG A 84 12.372 15.343 -4.244 1.00 0.00 N ATOM 0 H ARG A 84 10.754 9.123 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 84 12.856 11.204 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.301 11.211 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.525 9.488 -4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.846 10.687 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.922 9.865 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.722 12.143 -3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.273 11.965 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 84 12.031 12.954 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.141 13.897 -5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.684 15.596 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.454 15.138 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.606 16.295 -4.524 1.00 0.00 H new ATOM 1357 N ILE A 85 13.020 7.963 -6.737 1.00 0.00 N ATOM 1358 CA ILE A 85 13.917 6.828 -6.921 1.00 0.00 C ATOM 1359 C ILE A 85 13.598 6.083 -8.221 1.00 0.00 C ATOM 1360 O ILE A 85 12.778 5.164 -8.228 1.00 0.00 O ATOM 1361 CB ILE A 85 13.821 5.841 -5.740 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.976 6.583 -4.409 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.877 4.753 -5.873 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.647 5.737 -3.197 1.00 0.00 C ATOM 0 H ILE A 85 12.034 7.750 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 85 14.930 7.226 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 85 12.838 5.371 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.001 6.944 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.329 7.460 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.797 4.064 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.723 4.208 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.868 5.207 -5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.780 6.330 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.613 5.398 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.311 4.873 -3.165 1.00 0.00 H new ATOM 1376 N PRO A 86 14.236 6.475 -9.342 1.00 0.00 N ATOM 1377 CA PRO A 86 14.010 5.837 -10.646 1.00 0.00 C ATOM 1378 C PRO A 86 14.491 4.392 -10.680 1.00 0.00 C ATOM 1379 O PRO A 86 14.287 3.682 -11.667 1.00 0.00 O ATOM 1380 CB PRO A 86 14.830 6.691 -11.624 1.00 0.00 C ATOM 1381 CG PRO A 86 15.145 7.948 -10.886 1.00 0.00 C ATOM 1382 CD PRO A 86 15.214 7.569 -9.437 1.00 0.00 C ATOM 0 HA PRO A 86 12.948 5.793 -10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.741 6.175 -11.927 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.265 6.900 -12.532 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.090 8.373 -11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.378 8.703 -11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.214 7.244 -9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.952 8.404 -8.787 1.00 0.00 H new ATOM 1390 N GLU A 87 15.130 3.962 -9.600 1.00 0.00 N ATOM 1391 CA GLU A 87 15.643 2.600 -9.505 1.00 0.00 C ATOM 1392 C GLU A 87 14.902 1.814 -8.427 1.00 0.00 C ATOM 1393 O GLU A 87 15.368 0.767 -7.977 1.00 0.00 O ATOM 1394 CB GLU A 87 17.142 2.619 -9.201 1.00 0.00 C ATOM 1395 CG GLU A 87 17.977 3.273 -10.290 1.00 0.00 C ATOM 1396 CD GLU A 87 19.458 3.276 -9.966 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.124 2.250 -10.218 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.953 4.305 -9.457 1.00 0.00 O ATOM 0 H GLU A 87 15.306 4.537 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 87 15.480 2.108 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.307 3.147 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.487 1.595 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.816 2.748 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.639 4.299 -10.436 1.00 0.00 H new ATOM 1405 N PHE A 88 13.743 2.324 -8.023 1.00 0.00 N ATOM 1406 CA PHE A 88 12.936 1.674 -6.994 1.00 0.00 C ATOM 1407 C PHE A 88 12.146 0.504 -7.571 1.00 0.00 C ATOM 1408 O PHE A 88 11.730 0.532 -8.730 1.00 0.00 O ATOM 1409 CB PHE A 88 11.978 2.683 -6.358 1.00 0.00 C ATOM 1410 CG PHE A 88 11.241 2.144 -5.164 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.800 2.219 -3.899 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.990 1.567 -5.307 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.126 1.725 -2.798 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.311 1.071 -4.211 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.880 1.151 -2.954 1.00 0.00 C ATOM 0 H PHE A 88 13.341 3.186 -8.392 1.00 0.00 H new ATOM 0 HA PHE A 88 13.612 1.288 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.541 3.567 -6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.254 3.005 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.774 2.669 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.540 1.504 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.573 1.788 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.337 0.621 -4.336 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.351 0.765 -2.095 1.00 0.00 H new ATOM 1425 N ASN A 89 11.944 -0.523 -6.752 1.00 0.00 N ATOM 1426 CA ASN A 89 11.195 -1.702 -7.167 1.00 0.00 C ATOM 1427 C ASN A 89 10.152 -2.064 -6.113 1.00 0.00 C ATOM 1428 O ASN A 89 10.469 -2.686 -5.098 1.00 0.00 O ATOM 1429 CB ASN A 89 12.141 -2.882 -7.402 1.00 0.00 C ATOM 1430 CG ASN A 89 11.498 -3.982 -8.225 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.864 -4.887 -7.687 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.666 -3.910 -9.540 1.00 0.00 N ATOM 0 H ASN A 89 12.290 -0.562 -5.793 1.00 0.00 H new ATOM 0 HA ASN A 89 10.684 -1.475 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.039 -2.529 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.457 -3.288 -6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.261 -4.624 -10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.200 -3.141 -9.945 1.00 0.00 H new ATOM 1439 N MET A 90 8.910 -1.664 -6.360 1.00 0.00 N ATOM 1440 CA MET A 90 7.813 -1.923 -5.432 1.00 0.00 C ATOM 1441 C MET A 90 7.615 -3.418 -5.191 1.00 0.00 C ATOM 1442 O MET A 90 7.238 -3.831 -4.095 1.00 0.00 O ATOM 1443 CB MET A 90 6.520 -1.308 -5.967 1.00 0.00 C ATOM 1444 CG MET A 90 5.392 -1.278 -4.949 1.00 0.00 C ATOM 1445 SD MET A 90 5.792 -0.278 -3.504 1.00 0.00 S ATOM 1446 CE MET A 90 4.233 -0.324 -2.626 1.00 0.00 C ATOM 0 H MET A 90 8.635 -1.156 -7.201 1.00 0.00 H new ATOM 0 HA MET A 90 8.071 -1.463 -4.478 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.723 -0.291 -6.302 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.194 -1.872 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.492 -0.885 -5.421 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.167 -2.296 -4.631 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.317 0.252 -1.704 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.450 0.105 -3.252 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.981 -1.357 -2.387 1.00 0.00 H new ATOM 1456 N ALA A 91 7.866 -4.223 -6.218 1.00 0.00 N ATOM 1457 CA ALA A 91 7.704 -5.670 -6.112 1.00 0.00 C ATOM 1458 C ALA A 91 8.631 -6.263 -5.053 1.00 0.00 C ATOM 1459 O ALA A 91 8.176 -6.917 -4.112 1.00 0.00 O ATOM 1460 CB ALA A 91 7.954 -6.326 -7.461 1.00 0.00 C ATOM 0 H ALA A 91 8.182 -3.899 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 91 6.678 -5.869 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.830 -7.405 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.242 -5.940 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.969 -6.104 -7.791 1.00 0.00 H new ATOM 1466 N ALA A 92 9.929 -6.029 -5.208 1.00 0.00 N ATOM 1467 CA ALA A 92 10.919 -6.546 -4.272 1.00 0.00 C ATOM 1468 C ALA A 92 10.814 -5.861 -2.912 1.00 0.00 C ATOM 1469 O ALA A 92 11.196 -6.433 -1.889 1.00 0.00 O ATOM 1470 CB ALA A 92 12.319 -6.379 -4.845 1.00 0.00 C ATOM 0 H ALA A 92 10.321 -5.483 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 92 10.719 -7.607 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.051 -6.769 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.395 -6.927 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.515 -5.322 -5.024 1.00 0.00 H new ATOM 1476 N PHE A 93 10.295 -4.639 -2.905 1.00 0.00 N ATOM 1477 CA PHE A 93 10.146 -3.878 -1.668 1.00 0.00 C ATOM 1478 C PHE A 93 9.079 -4.493 -0.766 1.00 0.00 C ATOM 1479 O PHE A 93 9.311 -4.704 0.423 1.00 0.00 O ATOM 1480 CB PHE A 93 9.793 -2.421 -1.977 1.00 0.00 C ATOM 1481 CG PHE A 93 9.541 -1.590 -0.750 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.597 -1.136 0.024 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.248 -1.266 -0.370 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.369 -0.372 1.154 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.014 -0.503 0.759 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.075 -0.057 1.522 1.00 0.00 C ATOM 0 H PHE A 93 9.970 -4.153 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 93 11.099 -3.910 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.605 -1.972 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.906 -2.397 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.610 -1.382 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.414 -1.613 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.201 -0.022 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.002 -0.256 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.894 0.537 2.405 1.00 0.00 H new ATOM 1496 N THR A 94 7.912 -4.775 -1.337 1.00 0.00 N ATOM 1497 CA THR A 94 6.810 -5.360 -0.579 1.00 0.00 C ATOM 1498 C THR A 94 7.172 -6.743 -0.050 1.00 0.00 C ATOM 1499 O THR A 94 6.921 -7.055 1.116 1.00 0.00 O ATOM 1500 CB THR A 94 5.532 -5.466 -1.432 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.796 -6.217 -2.623 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.012 -4.085 -1.801 1.00 0.00 C ATOM 0 H THR A 94 7.705 -4.608 -2.322 1.00 0.00 H new ATOM 0 HA THR A 94 6.622 -4.693 0.262 1.00 0.00 H new ATOM 0 HB THR A 94 4.771 -5.978 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.748 -6.154 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.109 -4.185 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.782 -3.528 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.771 -3.551 -2.372 1.00 0.00 H new ATOM 1510 N THR A 95 7.758 -7.572 -0.909 1.00 0.00 N ATOM 1511 CA THR A 95 8.152 -8.922 -0.522 1.00 0.00 C ATOM 1512 C THR A 95 9.110 -8.895 0.666 1.00 0.00 C ATOM 1513 O THR A 95 9.000 -9.706 1.585 1.00 0.00 O ATOM 1514 CB THR A 95 8.823 -9.670 -1.690 1.00 0.00 C ATOM 1515 OG1 THR A 95 7.960 -9.670 -2.832 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.153 -11.103 -1.302 1.00 0.00 C ATOM 0 H THR A 95 7.970 -7.332 -1.877 1.00 0.00 H new ATOM 0 HA THR A 95 7.240 -9.448 -0.240 1.00 0.00 H new ATOM 0 HB THR A 95 9.752 -9.154 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.013 -8.801 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.626 -11.608 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.834 -11.102 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.236 -11.627 -1.032 1.00 0.00 H new ATOM 1524 N THR A 96 10.049 -7.956 0.635 1.00 0.00 N ATOM 1525 CA THR A 96 11.031 -7.817 1.705 1.00 0.00 C ATOM 1526 C THR A 96 10.416 -7.148 2.932 1.00 0.00 C ATOM 1527 O THR A 96 10.829 -7.403 4.065 1.00 0.00 O ATOM 1528 CB THR A 96 12.250 -6.998 1.235 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.868 -7.644 0.114 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.268 -6.838 2.354 1.00 0.00 C ATOM 0 H THR A 96 10.151 -7.279 -0.121 1.00 0.00 H new ATOM 0 HA THR A 96 11.359 -8.821 1.974 1.00 0.00 H new ATOM 0 HB THR A 96 11.900 -6.008 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.426 -7.358 -0.713 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.116 -6.256 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.806 -6.322 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.612 -7.821 2.676 1.00 0.00 H new ATOM 1538 N LEU A 97 9.423 -6.296 2.699 1.00 0.00 N ATOM 1539 CA LEU A 97 8.752 -5.583 3.781 1.00 0.00 C ATOM 1540 C LEU A 97 8.077 -6.558 4.742 1.00 0.00 C ATOM 1541 O LEU A 97 8.113 -6.367 5.959 1.00 0.00 O ATOM 1542 CB LEU A 97 7.711 -4.616 3.206 1.00 0.00 C ATOM 1543 CG LEU A 97 7.508 -3.318 3.996 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.508 -2.418 3.285 1.00 0.00 C ATOM 1545 CD2 LEU A 97 7.040 -3.611 5.414 1.00 0.00 C ATOM 0 H LEU A 97 9.064 -6.082 1.768 1.00 0.00 H new ATOM 0 HA LEU A 97 9.503 -5.019 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.003 -4.359 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.755 -5.135 3.142 1.00 0.00 H new ATOM 0 HG LEU A 97 8.467 -2.802 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.374 -1.500 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.881 -2.174 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.552 -2.934 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.904 -2.674 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.094 -4.151 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.787 -4.218 5.925 1.00 0.00 H new ATOM 1557 N GLN A 98 7.474 -7.609 4.190 1.00 0.00 N ATOM 1558 CA GLN A 98 6.779 -8.605 5.000 1.00 0.00 C ATOM 1559 C GLN A 98 7.672 -9.115 6.127 1.00 0.00 C ATOM 1560 O GLN A 98 7.191 -9.446 7.211 1.00 0.00 O ATOM 1561 CB GLN A 98 6.290 -9.765 4.117 1.00 0.00 C ATOM 1562 CG GLN A 98 7.189 -10.994 4.134 1.00 0.00 C ATOM 1563 CD GLN A 98 6.885 -11.921 5.296 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.750 -11.993 5.766 1.00 0.00 O ATOM 1565 NE2 GLN A 98 7.901 -12.635 5.765 1.00 0.00 N ATOM 0 H GLN A 98 7.453 -7.792 3.187 1.00 0.00 H new ATOM 0 HA GLN A 98 5.910 -8.130 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.291 -10.056 4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.200 -9.410 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.071 -11.540 3.198 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.231 -10.677 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.826 -12.543 5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.757 -13.275 6.546 1.00 0.00 H new ATOM 1574 N HIS A 99 8.973 -9.176 5.865 1.00 0.00 N ATOM 1575 CA HIS A 99 9.930 -9.631 6.865 1.00 0.00 C ATOM 1576 C HIS A 99 10.255 -8.503 7.837 1.00 0.00 C ATOM 1577 O HIS A 99 10.298 -8.703 9.055 1.00 0.00 O ATOM 1578 CB HIS A 99 11.216 -10.117 6.191 1.00 0.00 C ATOM 1579 CG HIS A 99 11.044 -11.368 5.387 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.270 -12.629 5.900 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.673 -11.551 4.097 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.048 -13.531 4.961 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.684 -12.904 3.858 1.00 0.00 N ATOM 0 H HIS A 99 9.388 -8.916 4.970 1.00 0.00 H new ATOM 0 HA HIS A 99 9.484 -10.459 7.416 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.594 -9.328 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.973 -10.290 6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.416 -10.777 3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.147 -14.600 5.076 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.449 -13.351 2.972 1.00 0.00 H new ATOM 1592 N HIS A 100 10.465 -7.312 7.289 1.00 0.00 N ATOM 1593 CA HIS A 100 10.795 -6.146 8.096 1.00 0.00 C ATOM 1594 C HIS A 100 9.626 -5.738 8.987 1.00 0.00 C ATOM 1595 O HIS A 100 9.753 -4.828 9.804 1.00 0.00 O ATOM 1596 CB HIS A 100 11.207 -4.976 7.202 1.00 0.00 C ATOM 1597 CG HIS A 100 12.576 -5.123 6.612 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.591 -4.216 6.831 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.094 -6.075 5.800 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.674 -4.601 6.179 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.399 -5.726 5.546 1.00 0.00 N ATOM 0 H HIS A 100 10.412 -7.129 6.287 1.00 0.00 H new ATOM 0 HA HIS A 100 11.633 -6.415 8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.482 -4.874 6.395 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.168 -4.055 7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.578 -6.946 5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.622 -4.084 6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.050 -6.252 4.962 1.00 0.00 H new ATOM 1610 N LYS A 101 8.488 -6.407 8.822 1.00 0.00 N ATOM 1611 CA LYS A 101 7.309 -6.108 9.627 1.00 0.00 C ATOM 1612 C LYS A 101 7.609 -6.283 11.113 1.00 0.00 C ATOM 1613 O LYS A 101 6.888 -5.762 11.966 1.00 0.00 O ATOM 1614 CB LYS A 101 6.137 -7.008 9.227 1.00 0.00 C ATOM 1615 CG LYS A 101 5.579 -6.708 7.846 1.00 0.00 C ATOM 1616 CD LYS A 101 4.420 -7.630 7.494 1.00 0.00 C ATOM 1617 CE LYS A 101 3.228 -7.418 8.412 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.350 -8.193 9.680 1.00 0.00 N ATOM 0 H LYS A 101 8.358 -7.156 8.142 1.00 0.00 H new ATOM 0 HA LYS A 101 7.035 -5.069 9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.462 -8.048 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.340 -6.900 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.244 -5.671 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.369 -6.817 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.118 -7.456 6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.749 -8.667 7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.134 -6.357 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.315 -7.713 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.493 -8.766 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.179 -8.818 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.463 -7.536 10.479 1.00 0.00 H new ATOM 1632 N ASP A 102 8.675 -7.021 11.418 1.00 0.00 N ATOM 1633 CA ASP A 102 9.069 -7.263 12.804 1.00 0.00 C ATOM 1634 C ASP A 102 9.442 -5.958 13.508 1.00 0.00 C ATOM 1635 O ASP A 102 9.519 -5.905 14.736 1.00 0.00 O ATOM 1636 CB ASP A 102 10.247 -8.240 12.857 1.00 0.00 C ATOM 1637 CG ASP A 102 10.754 -8.463 14.270 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.130 -9.255 15.007 1.00 0.00 O ATOM 1639 OD2 ASP A 102 11.774 -7.843 14.639 1.00 0.00 O ATOM 0 H ASP A 102 9.280 -7.461 10.725 1.00 0.00 H new ATOM 0 HA ASP A 102 8.217 -7.700 13.324 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.942 -9.195 12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.060 -7.858 12.239 1.00 0.00 H new ATOM 1644 N GLU A 103 9.666 -4.907 12.725 1.00 0.00 N ATOM 1645 CA GLU A 103 10.038 -3.608 13.278 1.00 0.00 C ATOM 1646 C GLU A 103 9.158 -2.496 12.712 1.00 0.00 C ATOM 1647 O GLU A 103 8.736 -1.596 13.438 1.00 0.00 O ATOM 1648 CB GLU A 103 11.510 -3.311 12.979 1.00 0.00 C ATOM 1649 CG GLU A 103 12.025 -2.036 13.629 1.00 0.00 C ATOM 1650 CD GLU A 103 11.908 -2.061 15.140 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.706 -2.773 15.785 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.020 -1.366 15.678 1.00 0.00 O ATOM 0 H GLU A 103 9.597 -4.929 11.708 1.00 0.00 H new ATOM 0 HA GLU A 103 9.889 -3.645 14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.116 -4.151 13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.644 -3.237 11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.069 -1.888 13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.468 -1.184 13.240 1.00 0.00 H new ATOM 1659 N VAL A 104 8.890 -2.565 11.411 1.00 0.00 N ATOM 1660 CA VAL A 104 8.062 -1.566 10.741 1.00 0.00 C ATOM 1661 C VAL A 104 6.685 -1.466 11.391 1.00 0.00 C ATOM 1662 O VAL A 104 6.146 -2.459 11.880 1.00 0.00 O ATOM 1663 CB VAL A 104 7.891 -1.897 9.243 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.983 -0.883 8.563 1.00 0.00 C ATOM 1665 CG2 VAL A 104 9.247 -1.954 8.554 1.00 0.00 C ATOM 0 H VAL A 104 9.235 -3.304 10.798 1.00 0.00 H new ATOM 0 HA VAL A 104 8.575 -0.609 10.839 1.00 0.00 H new ATOM 0 HB VAL A 104 7.421 -2.877 9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.878 -1.138 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.002 -0.896 9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.417 0.113 8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.109 -2.188 7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.744 -0.989 8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.860 -2.726 9.020 1.00 0.00 H new ATOM 1675 N ALA A 105 6.124 -0.259 11.396 1.00 0.00 N ATOM 1676 CA ALA A 105 4.811 -0.028 11.984 1.00 0.00 C ATOM 1677 C ALA A 105 3.756 -0.910 11.325 1.00 0.00 C ATOM 1678 O ALA A 105 3.374 -0.686 10.177 1.00 0.00 O ATOM 1679 CB ALA A 105 4.424 1.439 11.861 1.00 0.00 C ATOM 0 H ALA A 105 6.560 0.573 10.999 1.00 0.00 H new ATOM 0 HA ALA A 105 4.863 -0.290 13.041 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.441 1.594 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.158 2.054 12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.395 1.721 10.808 1.00 0.00 H new ATOM 1685 N GLY A 106 3.295 -1.915 12.060 1.00 0.00 N ATOM 1686 CA GLY A 106 2.290 -2.821 11.536 1.00 0.00 C ATOM 1687 C GLY A 106 0.963 -2.132 11.288 1.00 0.00 C ATOM 1688 O GLY A 106 0.215 -2.517 10.390 1.00 0.00 O ATOM 0 H GLY A 106 3.600 -2.119 13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.649 -3.258 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.144 -3.642 12.238 1.00 0.00 H new ATOM 1692 N ASP A 107 0.672 -1.110 12.088 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.576 -0.366 11.963 1.00 0.00 C ATOM 1694 C ASP A 107 -0.673 0.341 10.613 1.00 0.00 C ATOM 1695 O ASP A 107 -1.699 0.263 9.936 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.698 0.659 13.092 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.726 0.010 14.462 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -1.804 -0.474 14.867 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.330 -0.015 15.129 1.00 0.00 O ATOM 0 H ASP A 107 1.286 -0.778 12.832 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.395 -1.082 12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.140 1.354 13.040 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.607 1.244 12.951 1.00 0.00 H new ATOM 1704 N ILE A 108 0.395 1.031 10.226 1.00 0.00 N ATOM 1705 CA ILE A 108 0.417 1.756 8.959 1.00 0.00 C ATOM 1706 C ILE A 108 0.362 0.802 7.770 1.00 0.00 C ATOM 1707 O ILE A 108 -0.458 0.970 6.865 1.00 0.00 O ATOM 1708 CB ILE A 108 1.674 2.641 8.842 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.718 3.652 9.990 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.698 3.354 7.495 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.011 4.434 10.062 1.00 0.00 C ATOM 0 H ILE A 108 1.255 1.104 10.770 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.469 2.391 8.945 1.00 0.00 H new ATOM 0 HB ILE A 108 2.557 2.006 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.887 4.349 9.880 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.569 3.125 10.932 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.591 3.975 7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.708 2.616 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.812 3.982 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.969 5.130 10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.845 3.746 10.203 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.152 4.990 9.135 1.00 0.00 H new ATOM 1723 N PHE A 109 1.227 -0.208 7.780 1.00 0.00 N ATOM 1724 CA PHE A 109 1.272 -1.182 6.697 1.00 0.00 C ATOM 1725 C PHE A 109 -0.035 -1.965 6.612 1.00 0.00 C ATOM 1726 O PHE A 109 -0.422 -2.421 5.536 1.00 0.00 O ATOM 1727 CB PHE A 109 2.453 -2.140 6.872 1.00 0.00 C ATOM 1728 CG PHE A 109 2.653 -3.065 5.700 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.602 -2.582 4.400 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.886 -4.416 5.899 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.779 -3.427 3.322 1.00 0.00 C ATOM 1732 CE2 PHE A 109 3.066 -5.267 4.824 1.00 0.00 C ATOM 1733 CZ PHE A 109 3.012 -4.773 3.534 1.00 0.00 C ATOM 0 H PHE A 109 1.904 -0.372 8.525 1.00 0.00 H new ATOM 0 HA PHE A 109 1.407 -0.635 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.362 -1.559 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.298 -2.735 7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.421 -1.531 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.928 -4.809 6.904 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.735 -3.037 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.249 -6.318 4.992 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.152 -5.437 2.694 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.704 -2.124 7.752 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.969 -2.853 7.806 1.00 0.00 C ATOM 1745 C ASP A 110 -2.927 -2.358 6.727 1.00 0.00 C ATOM 1746 O ASP A 110 -3.672 -3.141 6.139 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.615 -2.699 9.184 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.926 -3.453 9.297 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.895 -4.644 9.674 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.983 -2.853 9.010 1.00 0.00 O ATOM 0 H ASP A 110 -0.391 -1.758 8.651 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.758 -3.907 7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.925 -3.059 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.789 -1.642 9.384 1.00 0.00 H new ATOM 1755 N MET A 111 -2.901 -1.055 6.472 1.00 0.00 N ATOM 1756 CA MET A 111 -3.761 -0.460 5.456 1.00 0.00 C ATOM 1757 C MET A 111 -3.269 -0.841 4.065 1.00 0.00 C ATOM 1758 O MET A 111 -4.057 -1.177 3.180 1.00 0.00 O ATOM 1759 CB MET A 111 -3.790 1.063 5.617 1.00 0.00 C ATOM 1760 CG MET A 111 -4.668 1.777 4.599 1.00 0.00 C ATOM 1761 SD MET A 111 -3.835 2.049 3.021 1.00 0.00 S ATOM 1762 CE MET A 111 -2.461 3.079 3.531 1.00 0.00 C ATOM 0 H MET A 111 -2.295 -0.391 6.954 1.00 0.00 H new ATOM 0 HA MET A 111 -4.774 -0.841 5.582 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.143 1.305 6.619 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.773 1.446 5.536 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.571 1.190 4.431 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.983 2.737 5.008 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.001 3.532 2.653 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.821 3.863 4.197 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.724 2.469 4.053 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.954 -0.792 3.886 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.335 -1.131 2.611 1.00 0.00 C ATOM 1774 C LEU A 112 -1.531 -2.608 2.285 1.00 0.00 C ATOM 1775 O LEU A 112 -1.483 -3.004 1.123 1.00 0.00 O ATOM 1776 CB LEU A 112 0.155 -0.791 2.638 1.00 0.00 C ATOM 1777 CG LEU A 112 0.480 0.698 2.794 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.970 0.896 3.017 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.017 1.476 1.570 1.00 0.00 C ATOM 0 H LEU A 112 -1.293 -0.519 4.613 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.819 -0.542 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.621 -1.336 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.611 -1.152 1.716 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.053 1.078 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.183 1.959 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.276 0.370 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.521 0.501 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.256 2.532 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.523 1.094 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.060 1.360 1.451 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.758 -3.417 3.318 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.957 -4.854 3.141 1.00 0.00 C ATOM 1793 C LEU A 113 -3.001 -5.137 2.067 1.00 0.00 C ATOM 1794 O LEU A 113 -2.983 -6.193 1.436 1.00 0.00 O ATOM 1795 CB LEU A 113 -2.370 -5.513 4.459 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.246 -5.671 5.488 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -1.780 -6.288 6.770 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -0.119 -6.522 4.922 1.00 0.00 C ATOM 0 H LEU A 113 -1.809 -3.102 4.287 1.00 0.00 H new ATOM 0 HA LEU A 113 -1.007 -5.280 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.171 -4.924 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.783 -6.498 4.241 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.851 -4.681 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.968 -6.393 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.554 -5.645 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.201 -7.270 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.670 -6.623 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.503 -7.509 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.284 -6.044 4.029 1.00 0.00 H new ATOM 1810 N THR A 114 -3.919 -4.193 1.875 1.00 0.00 N ATOM 1811 CA THR A 114 -4.972 -4.334 0.874 1.00 0.00 C ATOM 1812 C THR A 114 -4.406 -4.586 -0.527 1.00 0.00 C ATOM 1813 O THR A 114 -5.162 -4.771 -1.480 1.00 0.00 O ATOM 1814 CB THR A 114 -5.867 -3.081 0.829 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.075 -1.922 0.551 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.604 -2.895 2.147 1.00 0.00 C ATOM 0 H THR A 114 -3.954 -3.320 2.401 1.00 0.00 H new ATOM 0 HA THR A 114 -5.564 -5.199 1.173 1.00 0.00 H new ATOM 0 HB THR A 114 -6.602 -3.215 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.682 -1.587 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.230 -2.004 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.230 -3.766 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.881 -2.781 2.955 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.078 -4.594 -0.650 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.431 -4.832 -1.938 1.00 0.00 C ATOM 1826 C PHE A 115 -2.730 -6.240 -2.447 1.00 0.00 C ATOM 1827 O PHE A 115 -2.734 -6.482 -3.654 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.911 -4.642 -1.828 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.464 -3.206 -1.749 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.073 -2.226 -2.519 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.579 -2.840 -0.909 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.654 -0.911 -2.451 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.000 -1.525 -0.838 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.383 -0.561 -1.608 1.00 0.00 C ATOM 0 H PHE A 115 -2.433 -4.439 0.124 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.832 -4.106 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.555 -5.169 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.436 -5.110 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.884 -2.494 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.067 -3.590 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.137 -0.158 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.812 -1.253 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.710 0.467 -1.552 1.00 0.00 H new ATOM 1844 N THR A 116 -2.983 -7.165 -1.525 1.00 0.00 N ATOM 1845 CA THR A 116 -3.275 -8.546 -1.896 1.00 0.00 C ATOM 1846 C THR A 116 -4.193 -9.223 -0.881 1.00 0.00 C ATOM 1847 O THR A 116 -5.019 -10.060 -1.246 1.00 0.00 O ATOM 1848 CB THR A 116 -1.984 -9.376 -2.033 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.307 -10.743 -2.309 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.148 -9.294 -0.763 1.00 0.00 C ATOM 0 H THR A 116 -2.992 -6.985 -0.521 1.00 0.00 H new ATOM 0 HA THR A 116 -3.782 -8.504 -2.860 1.00 0.00 H new ATOM 0 HB THR A 116 -1.402 -8.966 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.481 -11.263 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.242 -9.888 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.878 -8.255 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.725 -9.680 0.078 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.044 -8.862 0.390 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.863 -9.445 1.449 1.00 0.00 C ATOM 1860 C ASP A 117 -6.332 -9.073 1.268 1.00 0.00 C ATOM 1861 O ASP A 117 -6.799 -8.063 1.794 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.369 -8.986 2.823 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.971 -9.798 3.953 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.543 -10.954 4.145 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.868 -9.277 4.646 1.00 0.00 O ATOM 0 H ASP A 117 -3.366 -8.171 0.712 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.772 -10.529 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.283 -9.065 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.617 -7.934 2.963 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.053 -9.901 0.516 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.469 -9.667 0.249 1.00 0.00 C ATOM 1872 C PHE A 118 -9.270 -9.581 1.546 1.00 0.00 C ATOM 1873 O PHE A 118 -10.268 -8.864 1.621 1.00 0.00 O ATOM 1874 CB PHE A 118 -9.028 -10.785 -0.635 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.460 -10.577 -1.041 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.773 -9.809 -2.151 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.492 -11.151 -0.315 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.088 -9.617 -2.530 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.809 -10.962 -0.688 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.108 -10.194 -1.797 1.00 0.00 C ATOM 0 H PHE A 118 -6.678 -10.743 0.079 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.561 -8.713 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.414 -10.868 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.945 -11.733 -0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.980 -9.355 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.264 -11.753 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.318 -9.017 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.604 -11.414 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.137 -10.045 -2.091 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.828 -10.315 2.562 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.508 -10.321 3.852 1.00 0.00 C ATOM 1892 C LEU A 119 -9.520 -8.927 4.475 1.00 0.00 C ATOM 1893 O LEU A 119 -10.526 -8.499 5.041 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.837 -11.316 4.803 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.580 -11.564 6.119 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.947 -12.176 5.856 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.758 -12.462 7.031 1.00 0.00 C ATOM 0 H LEU A 119 -8.003 -10.913 2.517 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.540 -10.629 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.722 -12.268 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.835 -10.955 5.033 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.726 -10.606 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.459 -12.344 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.537 -11.497 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.826 -13.126 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.300 -12.629 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.582 -13.418 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.803 -11.984 7.248 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.397 -8.222 4.364 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.282 -6.876 4.917 1.00 0.00 C ATOM 1911 C ALA A 120 -9.008 -5.860 4.042 1.00 0.00 C ATOM 1912 O ALA A 120 -9.475 -4.828 4.526 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.818 -6.490 5.073 1.00 0.00 C ATOM 0 H ALA A 120 -7.555 -8.560 3.897 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.753 -6.873 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.749 -5.484 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.326 -7.193 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.329 -6.516 4.099 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.097 -6.161 2.751 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.763 -5.281 1.797 1.00 0.00 C ATOM 1921 C PHE A 121 -11.251 -5.161 2.122 1.00 0.00 C ATOM 1922 O PHE A 121 -11.776 -4.058 2.306 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.573 -5.829 0.378 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.807 -4.823 -0.717 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.166 -3.593 -0.700 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.660 -5.113 -1.770 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.372 -2.674 -1.712 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.868 -4.198 -2.786 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.224 -2.978 -2.757 1.00 0.00 C ATOM 0 H PHE A 121 -8.714 -7.012 2.339 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.320 -4.287 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.559 -6.218 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.252 -6.669 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.498 -3.350 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.169 -6.065 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.868 -1.719 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.534 -4.438 -3.602 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.385 -2.262 -3.549 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.920 -6.306 2.211 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.346 -6.340 2.515 1.00 0.00 C ATOM 1941 C LYS A 122 -13.611 -5.855 3.936 1.00 0.00 C ATOM 1942 O LYS A 122 -14.541 -5.085 4.173 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.891 -7.758 2.332 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.388 -7.873 2.568 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.877 -9.298 2.363 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.376 -9.410 2.583 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.867 -10.799 2.360 1.00 0.00 N ATOM 0 H LYS A 122 -11.496 -7.224 2.077 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.858 -5.670 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.665 -8.097 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.372 -8.428 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.623 -7.549 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.917 -7.205 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.631 -9.626 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.357 -9.965 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.618 -9.098 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.894 -8.729 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.894 -10.834 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.659 -11.088 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.392 -11.446 3.021 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.788 -6.306 4.877 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.937 -5.914 6.276 1.00 0.00 C ATOM 1963 C GLU A 123 -12.789 -4.404 6.434 1.00 0.00 C ATOM 1964 O GLU A 123 -13.358 -3.807 7.347 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.907 -6.638 7.147 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.020 -6.309 8.627 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.034 -7.092 9.473 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -9.890 -6.619 9.641 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.406 -8.177 9.965 1.00 0.00 O ATOM 0 H GLU A 123 -12.011 -6.943 4.698 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.937 -6.199 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.023 -7.714 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.906 -6.379 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.852 -5.242 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.034 -6.521 8.967 1.00 0.00 H new ATOM 1976 N MET A 124 -12.020 -3.794 5.538 1.00 0.00 N ATOM 1977 CA MET A 124 -11.797 -2.353 5.578 1.00 0.00 C ATOM 1978 C MET A 124 -13.059 -1.593 5.182 1.00 0.00 C ATOM 1979 O MET A 124 -13.459 -0.645 5.858 1.00 0.00 O ATOM 1980 CB MET A 124 -10.644 -1.963 4.650 1.00 0.00 C ATOM 1981 CG MET A 124 -10.327 -0.476 4.667 1.00 0.00 C ATOM 1982 SD MET A 124 -9.011 -0.031 3.519 1.00 0.00 S ATOM 1983 CE MET A 124 -9.766 -0.469 1.956 1.00 0.00 C ATOM 0 H MET A 124 -11.541 -4.274 4.776 1.00 0.00 H new ATOM 0 HA MET A 124 -11.537 -2.084 6.602 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.752 -2.520 4.938 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.891 -2.262 3.631 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.227 0.086 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.038 -0.182 5.676 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.257 0.054 1.147 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.684 -1.545 1.801 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.818 -0.183 1.967 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.681 -2.012 4.083 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.898 -1.359 3.603 1.00 0.00 C ATOM 1995 C PHE A 125 -16.057 -1.552 4.576 1.00 0.00 C ATOM 1996 O PHE A 125 -16.748 -0.595 4.923 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.288 -1.895 2.225 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.325 -1.514 1.139 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.125 -0.185 0.805 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.617 -2.487 0.457 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.236 0.166 -0.193 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.728 -2.143 -0.541 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.536 -0.814 -0.867 1.00 0.00 C ATOM 0 H PHE A 125 -13.366 -2.795 3.511 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.687 -0.292 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.357 -2.982 2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.280 -1.523 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.670 0.586 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.761 -3.527 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.089 1.206 -0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.182 -2.912 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.840 -0.543 -1.647 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.267 -2.792 5.009 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.347 -3.102 5.939 1.00 0.00 C ATOM 2015 C LEU A 126 -17.226 -2.277 7.217 1.00 0.00 C ATOM 2016 O LEU A 126 -18.227 -1.808 7.759 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.359 -4.597 6.269 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.180 -5.468 5.312 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.615 -5.408 3.901 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.226 -6.906 5.808 1.00 0.00 C ATOM 0 H LEU A 126 -15.705 -3.596 4.731 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.290 -2.843 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.331 -4.960 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.749 -4.727 7.279 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.197 -5.077 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.216 -6.035 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.638 -4.379 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.586 -5.768 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.813 -7.511 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.213 -7.303 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.685 -6.936 6.796 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.998 -2.100 7.694 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.760 -1.318 8.902 1.00 0.00 C ATOM 2034 C ASP A 127 -16.079 0.152 8.654 1.00 0.00 C ATOM 2035 O ASP A 127 -16.639 0.834 9.514 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.307 -1.470 9.359 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.030 -0.736 10.656 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.720 0.473 10.600 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.123 -1.370 11.728 1.00 0.00 O ATOM 0 H ASP A 127 -15.156 -2.485 7.265 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.415 -1.692 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.078 -2.528 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.643 -1.092 8.582 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.720 0.631 7.465 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.970 2.018 7.086 1.00 0.00 C ATOM 2046 C TYR A 128 -17.468 2.288 6.992 1.00 0.00 C ATOM 2047 O TYR A 128 -17.933 3.386 7.294 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.297 2.325 5.744 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.390 3.778 5.331 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.511 4.723 5.844 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.355 4.201 4.425 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.592 6.050 5.466 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.440 5.526 4.042 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.557 6.446 4.566 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.639 7.767 4.186 1.00 0.00 O ATOM 0 H TYR A 128 -15.254 0.077 6.747 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.549 2.667 7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.246 2.040 5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.753 1.707 4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.753 4.416 6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.049 3.483 4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.902 6.773 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.194 5.839 3.336 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.372 7.878 3.545 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.217 1.273 6.569 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.664 1.388 6.432 1.00 0.00 C ATOM 2067 C ARG A 129 -20.328 1.551 7.796 1.00 0.00 C ATOM 2068 O ARG A 129 -21.228 2.373 7.967 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.226 0.152 5.724 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.733 0.194 5.520 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.236 -1.061 4.824 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.687 -1.045 4.646 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.411 -2.131 4.390 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.821 -3.314 4.277 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.726 -2.036 4.247 1.00 0.00 N ATOM 0 H ARG A 129 -17.843 0.359 6.315 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.880 2.274 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.740 0.048 4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.972 -0.735 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.229 0.300 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.997 1.070 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.753 -1.155 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.952 -1.937 5.407 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.171 -0.151 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.810 -3.392 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.379 -4.145 4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.184 -1.129 4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.279 -2.870 4.051 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.871 0.763 8.764 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.420 0.812 10.115 1.00 0.00 C ATOM 2091 C ALA A 130 -20.114 2.145 10.787 1.00 0.00 C ATOM 2092 O ALA A 130 -20.887 2.622 11.619 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.872 -0.339 10.946 1.00 0.00 C ATOM 0 H ALA A 130 -19.122 0.083 8.638 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.503 0.714 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.289 -0.292 11.952 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -20.148 -1.286 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.786 -0.264 10.999 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.984 2.743 10.422 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.577 4.023 10.992 1.00 0.00 C ATOM 2101 C GLU A 131 -19.554 5.129 10.603 1.00 0.00 C ATOM 2102 O GLU A 131 -19.677 6.135 11.301 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.164 4.385 10.528 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.622 5.654 11.166 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.242 6.020 10.655 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.249 5.504 11.209 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.155 6.820 9.701 1.00 0.00 O ATOM 0 H GLU A 131 -18.334 2.362 9.734 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.582 3.927 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.492 3.558 10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.166 4.505 9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.309 6.477 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.582 5.524 12.248 1.00 0.00 H new