USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 880 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 93 CYS SG : rot -107:sc= 1.49 USER MOD Set 1.2: A 121 THR OG1 : rot -20:sc= 0.32 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 TYR OH : rot 50:sc= 0.0576 USER MOD Set 3.1: A 45 GLN : amide:sc= 0.315 X(o=0.61,f=0.99) USER MOD Set 3.2: A 111 SER OG : rot 180:sc= 0.296 USER MOD Single : A 21 MET CE :methyl -157:sc= -0.0381 (180deg=-0.443) USER MOD Single : A 27 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.73) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.269 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0552) USER MOD Single : A 36 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 46 GLN : amide:sc= -0.0244 K(o=-0.024,f=-0.54) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.13) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.324 K(o=-0.32,f=-4.4!) USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.0422 USER MOD Single : A 73 MET CE :methyl -140:sc= -0.98 (180deg=-4.82!) USER MOD Single : A 74 SER OG : rot -160:sc= 0.419 USER MOD Single : A 78 SER OG : rot -160:sc= -0.25 USER MOD Single : A 86 SER OG : rot 28:sc= -0.193 USER MOD Single : A 88 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot -19:sc= 0.486 USER MOD Single : A 97 THR OG1 : rot 90:sc= 0 USER MOD Single : A 105 ASN : amide:sc=-0.00515 K(o=-0.0052,f=-0.81) USER MOD Single : A 106 SER OG : rot 22:sc= 0.108 USER MOD Single : A 108 MET CE :methyl -176:sc= -2.49 (180deg=-2.59) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 113 LYS NZ :NH3+ -127:sc= 1.36 (180deg=0.339) USER MOD Single : A 114 GLN : amide:sc= -3.61! C(o=-3.6!,f=-8.6!) USER MOD Single : A 115 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.3!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.67) USER MOD Single : A 124 SER OG : rot 170:sc= 0 USER MOD Single : A 127 SER OG : rot 77:sc= 0.908 USER MOD Single : A 131 THR OG1 : rot 75:sc= 0.636 USER MOD Single : A 135 THR OG1 : rot 72:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -1.984 14.724 -6.835 1.00 14.33 N ATOM 287 CA LEU A 20 -1.209 13.693 -6.124 1.00 54.41 C ATOM 288 C LEU A 20 0.179 13.501 -6.781 1.00 11.42 C ATOM 289 O LEU A 20 0.295 12.865 -7.839 1.00 71.44 O ATOM 290 CB LEU A 20 -1.993 12.346 -6.090 1.00 44.44 C ATOM 291 CG LEU A 20 -1.293 11.180 -5.317 1.00 2.42 C ATOM 292 CD1 LEU A 20 -1.065 11.564 -3.854 1.00 61.43 C ATOM 293 CD2 LEU A 20 -2.077 9.854 -5.440 1.00 52.32 C ATOM 0 HA LEU A 20 -1.056 14.027 -5.098 1.00 54.41 H new ATOM 0 HB2 LEU A 20 -2.969 12.525 -5.638 1.00 44.44 H new ATOM 0 HB3 LEU A 20 -2.171 12.023 -7.116 1.00 44.44 H new ATOM 0 HG LEU A 20 -0.320 11.013 -5.779 1.00 2.42 H new ATOM 0 HD11 LEU A 20 -0.577 10.740 -3.333 1.00 61.43 H new ATOM 0 HD12 LEU A 20 -0.432 12.450 -3.805 1.00 61.43 H new ATOM 0 HD13 LEU A 20 -2.023 11.776 -3.380 1.00 61.43 H new ATOM 0 HD21 LEU A 20 -1.556 9.071 -4.889 1.00 52.32 H new ATOM 0 HD22 LEU A 20 -3.078 9.984 -5.028 1.00 52.32 H new ATOM 0 HD23 LEU A 20 -2.151 9.571 -6.490 1.00 52.32 H new ATOM 305 N MET A 21 1.212 14.082 -6.155 1.00 10.32 N ATOM 306 CA MET A 21 2.612 13.960 -6.608 1.00 60.35 C ATOM 307 C MET A 21 3.451 13.315 -5.495 1.00 3.11 C ATOM 308 O MET A 21 3.910 14.002 -4.572 1.00 35.42 O ATOM 309 CB MET A 21 3.162 15.367 -7.022 1.00 51.20 C ATOM 310 CG MET A 21 2.856 16.517 -6.046 1.00 23.41 C ATOM 311 SD MET A 21 3.493 18.118 -6.607 1.00 32.42 S ATOM 312 CE MET A 21 5.267 17.855 -6.585 1.00 35.23 C ATOM 0 H MET A 21 1.104 14.653 -5.317 1.00 10.32 H new ATOM 0 HA MET A 21 2.670 13.318 -7.487 1.00 60.35 H new ATOM 0 HB2 MET A 21 4.243 15.294 -7.141 1.00 51.20 H new ATOM 0 HB3 MET A 21 2.751 15.624 -7.998 1.00 51.20 H new ATOM 0 HG2 MET A 21 1.777 16.591 -5.908 1.00 23.41 H new ATOM 0 HG3 MET A 21 3.287 16.283 -5.072 1.00 23.41 H new ATOM 0 HE1 MET A 21 5.776 18.815 -6.502 1.00 35.23 H new ATOM 0 HE2 MET A 21 5.532 17.229 -5.732 1.00 35.23 H new ATOM 0 HE3 MET A 21 5.573 17.360 -7.507 1.00 35.23 H new ATOM 322 N LEU A 22 3.673 11.986 -5.595 1.00 10.25 N ATOM 323 CA LEU A 22 4.326 11.197 -4.536 1.00 51.15 C ATOM 324 C LEU A 22 5.841 11.451 -4.568 1.00 61.23 C ATOM 325 O LEU A 22 6.503 11.220 -5.585 1.00 44.53 O ATOM 326 CB LEU A 22 3.983 9.683 -4.716 1.00 3.21 C ATOM 327 CG LEU A 22 2.485 9.288 -4.468 1.00 5.01 C ATOM 328 CD1 LEU A 22 2.170 7.865 -4.986 1.00 4.04 C ATOM 329 CD2 LEU A 22 2.106 9.424 -2.973 1.00 30.42 C ATOM 0 H LEU A 22 3.404 11.435 -6.410 1.00 10.25 H new ATOM 0 HA LEU A 22 3.956 11.504 -3.558 1.00 51.15 H new ATOM 0 HB2 LEU A 22 4.254 9.386 -5.729 1.00 3.21 H new ATOM 0 HB3 LEU A 22 4.609 9.105 -4.036 1.00 3.21 H new ATOM 0 HG LEU A 22 1.874 9.988 -5.038 1.00 5.01 H new ATOM 0 HD11 LEU A 22 1.123 7.632 -4.794 1.00 4.04 H new ATOM 0 HD12 LEU A 22 2.362 7.817 -6.058 1.00 4.04 H new ATOM 0 HD13 LEU A 22 2.803 7.142 -4.471 1.00 4.04 H new ATOM 0 HD21 LEU A 22 1.062 9.143 -2.835 1.00 30.42 H new ATOM 0 HD22 LEU A 22 2.740 8.769 -2.376 1.00 30.42 H new ATOM 0 HD23 LEU A 22 2.249 10.456 -2.654 1.00 30.42 H new ATOM 409 N GLN A 27 10.447 8.769 5.996 1.00 44.24 N ATOM 410 CA GLN A 27 10.023 7.373 6.160 1.00 74.45 C ATOM 411 C GLN A 27 9.442 7.149 7.565 1.00 22.21 C ATOM 412 O GLN A 27 10.147 7.336 8.564 1.00 33.33 O ATOM 413 CB GLN A 27 11.212 6.392 5.878 1.00 13.12 C ATOM 414 CG GLN A 27 11.531 6.172 4.377 1.00 73.41 C ATOM 415 CD GLN A 27 11.990 7.430 3.631 1.00 33.51 C ATOM 416 OE1 GLN A 27 12.665 8.297 4.192 1.00 62.40 O ATOM 417 NE2 GLN A 27 11.601 7.556 2.374 1.00 50.33 N ATOM 0 HA GLN A 27 9.240 7.163 5.432 1.00 74.45 H new ATOM 0 HB2 GLN A 27 12.105 6.774 6.373 1.00 13.12 H new ATOM 0 HB3 GLN A 27 10.984 5.427 6.332 1.00 13.12 H new ATOM 0 HG2 GLN A 27 12.307 5.411 4.292 1.00 73.41 H new ATOM 0 HG3 GLN A 27 10.642 5.777 3.884 1.00 73.41 H new ATOM 0 HE21 GLN A 27 11.043 6.822 1.937 1.00 50.33 H new ATOM 0 HE22 GLN A 27 11.858 8.387 1.841 1.00 50.33 H new ATOM 426 N LEU A 28 8.150 6.783 7.621 1.00 62.13 N ATOM 427 CA LEU A 28 7.439 6.535 8.882 1.00 74.15 C ATOM 428 C LEU A 28 8.007 5.278 9.564 1.00 1.34 C ATOM 429 O LEU A 28 8.309 4.286 8.884 1.00 61.01 O ATOM 430 CB LEU A 28 5.909 6.351 8.631 1.00 22.22 C ATOM 431 CG LEU A 28 5.206 7.414 7.724 1.00 71.00 C ATOM 432 CD1 LEU A 28 3.683 7.171 7.672 1.00 71.53 C ATOM 433 CD2 LEU A 28 5.531 8.858 8.164 1.00 63.44 C ATOM 0 H LEU A 28 7.571 6.651 6.792 1.00 62.13 H new ATOM 0 HA LEU A 28 7.582 7.399 9.532 1.00 74.15 H new ATOM 0 HB2 LEU A 28 5.755 5.369 8.184 1.00 22.22 H new ATOM 0 HB3 LEU A 28 5.405 6.344 9.598 1.00 22.22 H new ATOM 0 HG LEU A 28 5.603 7.295 6.716 1.00 71.00 H new ATOM 0 HD11 LEU A 28 3.216 7.923 7.035 1.00 71.53 H new ATOM 0 HD12 LEU A 28 3.487 6.179 7.266 1.00 71.53 H new ATOM 0 HD13 LEU A 28 3.269 7.240 8.678 1.00 71.53 H new ATOM 0 HD21 LEU A 28 5.022 9.562 7.506 1.00 63.44 H new ATOM 0 HD22 LEU A 28 5.194 9.010 9.189 1.00 63.44 H new ATOM 0 HD23 LEU A 28 6.607 9.022 8.108 1.00 63.44 H new ATOM 445 N THR A 29 8.157 5.325 10.895 1.00 43.41 N ATOM 446 CA THR A 29 8.519 4.142 11.688 1.00 51.44 C ATOM 447 C THR A 29 7.317 3.176 11.720 1.00 44.41 C ATOM 448 O THR A 29 6.190 3.595 11.449 1.00 13.44 O ATOM 449 CB THR A 29 8.931 4.537 13.142 1.00 32.34 C ATOM 450 OG1 THR A 29 7.844 5.199 13.793 1.00 52.40 O ATOM 451 CG2 THR A 29 10.164 5.455 13.164 1.00 30.42 C ATOM 0 H THR A 29 8.033 6.174 11.447 1.00 43.41 H new ATOM 0 HA THR A 29 9.377 3.656 11.224 1.00 51.44 H new ATOM 0 HB THR A 29 9.184 3.616 13.668 1.00 32.34 H new ATOM 0 HG1 THR A 29 8.108 5.443 14.705 1.00 52.40 H new ATOM 0 HG21 THR A 29 10.414 5.704 14.195 1.00 30.42 H new ATOM 0 HG22 THR A 29 11.007 4.943 12.700 1.00 30.42 H new ATOM 0 HG23 THR A 29 9.946 6.370 12.613 1.00 30.42 H new ATOM 459 N ALA A 30 7.561 1.896 12.022 1.00 34.40 N ATOM 460 CA ALA A 30 6.502 0.882 12.139 1.00 24.53 C ATOM 461 C ALA A 30 5.513 1.233 13.268 1.00 61.22 C ATOM 462 O ALA A 30 4.326 0.911 13.171 1.00 4.20 O ATOM 463 CB ALA A 30 7.117 -0.512 12.338 1.00 44.40 C ATOM 0 H ALA A 30 8.498 1.532 12.193 1.00 34.40 H new ATOM 0 HA ALA A 30 5.933 0.870 11.209 1.00 24.53 H new ATOM 0 HB1 ALA A 30 6.321 -1.252 12.423 1.00 44.40 H new ATOM 0 HB2 ALA A 30 7.750 -0.756 11.484 1.00 44.40 H new ATOM 0 HB3 ALA A 30 7.717 -0.518 13.248 1.00 44.40 H new ATOM 469 N ASP A 31 6.017 1.911 14.322 1.00 24.12 N ATOM 470 CA ASP A 31 5.174 2.442 15.412 1.00 32.25 C ATOM 471 C ASP A 31 4.311 3.629 14.944 1.00 54.40 C ATOM 472 O ASP A 31 3.136 3.716 15.313 1.00 33.13 O ATOM 473 CB ASP A 31 6.025 2.866 16.643 1.00 64.24 C ATOM 474 CG ASP A 31 6.655 1.681 17.399 1.00 24.41 C ATOM 475 OD1 ASP A 31 5.944 0.684 17.663 1.00 74.32 O ATOM 476 OD2 ASP A 31 7.851 1.746 17.763 1.00 53.42 O ATOM 0 H ASP A 31 7.012 2.104 14.440 1.00 24.12 H new ATOM 0 HA ASP A 31 4.511 1.630 15.710 1.00 32.25 H new ATOM 0 HB2 ASP A 31 6.818 3.537 16.312 1.00 64.24 H new ATOM 0 HB3 ASP A 31 5.396 3.431 17.331 1.00 64.24 H new ATOM 481 N TYR A 32 4.895 4.542 14.129 1.00 45.03 N ATOM 482 CA TYR A 32 4.161 5.715 13.597 1.00 43.11 C ATOM 483 C TYR A 32 3.056 5.232 12.649 1.00 61.14 C ATOM 484 O TYR A 32 1.926 5.717 12.704 1.00 14.11 O ATOM 485 CB TYR A 32 5.106 6.699 12.845 1.00 73.31 C ATOM 486 CG TYR A 32 4.453 8.056 12.488 1.00 2.44 C ATOM 487 CD1 TYR A 32 3.718 8.232 11.308 1.00 32.24 C ATOM 488 CD2 TYR A 32 4.565 9.157 13.342 1.00 70.34 C ATOM 489 CE1 TYR A 32 3.127 9.446 10.999 1.00 64.42 C ATOM 490 CE2 TYR A 32 3.976 10.367 13.033 1.00 33.31 C ATOM 491 CZ TYR A 32 3.260 10.509 11.866 1.00 74.03 C ATOM 492 OH TYR A 32 2.679 11.725 11.571 1.00 50.05 O ATOM 0 H TYR A 32 5.868 4.488 13.827 1.00 45.03 H new ATOM 0 HA TYR A 32 3.728 6.254 14.440 1.00 43.11 H new ATOM 0 HB2 TYR A 32 5.986 6.883 13.461 1.00 73.31 H new ATOM 0 HB3 TYR A 32 5.453 6.223 11.928 1.00 73.31 H new ATOM 0 HD1 TYR A 32 3.610 7.403 10.624 1.00 32.24 H new ATOM 0 HD2 TYR A 32 5.123 9.059 14.261 1.00 70.34 H new ATOM 0 HE1 TYR A 32 2.565 9.559 10.084 1.00 64.42 H new ATOM 0 HE2 TYR A 32 4.077 11.204 13.708 1.00 33.31 H new ATOM 0 HH TYR A 32 2.871 12.362 12.290 1.00 50.05 H new ATOM 502 N PHE A 33 3.424 4.276 11.783 1.00 51.51 N ATOM 503 CA PHE A 33 2.509 3.619 10.841 1.00 74.44 C ATOM 504 C PHE A 33 1.335 2.961 11.583 1.00 72.15 C ATOM 505 O PHE A 33 0.188 3.168 11.208 1.00 65.43 O ATOM 506 CB PHE A 33 3.271 2.556 10.004 1.00 65.44 C ATOM 507 CG PHE A 33 2.366 1.715 9.099 1.00 33.03 C ATOM 508 CD1 PHE A 33 1.944 2.201 7.867 1.00 61.23 C ATOM 509 CD2 PHE A 33 1.907 0.459 9.501 1.00 15.25 C ATOM 510 CE1 PHE A 33 1.104 1.459 7.063 1.00 70.12 C ATOM 511 CE2 PHE A 33 1.057 -0.273 8.701 1.00 41.42 C ATOM 512 CZ PHE A 33 0.657 0.226 7.481 1.00 22.42 C ATOM 0 H PHE A 33 4.382 3.933 11.717 1.00 51.51 H new ATOM 0 HA PHE A 33 2.109 4.380 10.171 1.00 74.44 H new ATOM 0 HB2 PHE A 33 4.018 3.059 9.389 1.00 65.44 H new ATOM 0 HB3 PHE A 33 3.810 1.893 10.681 1.00 65.44 H new ATOM 0 HD1 PHE A 33 2.278 3.173 7.535 1.00 61.23 H new ATOM 0 HD2 PHE A 33 2.223 0.056 10.452 1.00 15.25 H new ATOM 0 HE1 PHE A 33 0.796 1.846 6.103 1.00 70.12 H new ATOM 0 HE2 PHE A 33 0.704 -1.239 9.031 1.00 41.42 H new ATOM 0 HZ PHE A 33 -0.007 -0.350 6.853 1.00 22.42 H new ATOM 522 N GLU A 34 1.664 2.152 12.619 1.00 4.52 N ATOM 523 CA GLU A 34 0.671 1.441 13.457 1.00 15.34 C ATOM 524 C GLU A 34 -0.324 2.433 14.076 1.00 41.25 C ATOM 525 O GLU A 34 -1.542 2.229 14.024 1.00 64.13 O ATOM 526 CB GLU A 34 1.396 0.657 14.585 1.00 71.14 C ATOM 527 CG GLU A 34 0.455 0.014 15.622 1.00 63.04 C ATOM 528 CD GLU A 34 1.196 -0.563 16.832 1.00 43.51 C ATOM 529 OE1 GLU A 34 1.639 0.224 17.697 1.00 70.14 O ATOM 530 OE2 GLU A 34 1.364 -1.799 16.925 1.00 74.00 O ATOM 0 H GLU A 34 2.629 1.974 12.897 1.00 4.52 H new ATOM 0 HA GLU A 34 0.122 0.744 12.824 1.00 15.34 H new ATOM 0 HB2 GLU A 34 2.006 -0.125 14.133 1.00 71.14 H new ATOM 0 HB3 GLU A 34 2.077 1.334 15.101 1.00 71.14 H new ATOM 0 HG2 GLU A 34 -0.262 0.760 15.965 1.00 63.04 H new ATOM 0 HG3 GLU A 34 -0.117 -0.780 15.141 1.00 63.04 H new ATOM 537 N LYS A 35 0.247 3.514 14.639 1.00 63.43 N ATOM 538 CA LYS A 35 -0.493 4.623 15.257 1.00 51.52 C ATOM 539 C LYS A 35 -1.514 5.212 14.266 1.00 14.12 C ATOM 540 O LYS A 35 -2.699 5.302 14.577 1.00 4.33 O ATOM 541 CB LYS A 35 0.518 5.717 15.711 1.00 63.22 C ATOM 542 CG LYS A 35 -0.118 7.043 16.169 1.00 62.20 C ATOM 543 CD LYS A 35 0.916 8.158 16.433 1.00 64.14 C ATOM 544 CE LYS A 35 0.248 9.504 16.757 1.00 53.13 C ATOM 545 NZ LYS A 35 -0.679 9.412 17.920 1.00 52.15 N ATOM 0 H LYS A 35 1.258 3.641 14.676 1.00 63.43 H new ATOM 0 HA LYS A 35 -1.042 4.253 16.123 1.00 51.52 H new ATOM 0 HB2 LYS A 35 1.118 5.318 16.529 1.00 63.22 H new ATOM 0 HB3 LYS A 35 1.200 5.925 14.886 1.00 63.22 H new ATOM 0 HG2 LYS A 35 -0.821 7.382 15.408 1.00 62.20 H new ATOM 0 HG3 LYS A 35 -0.692 6.867 17.079 1.00 62.20 H new ATOM 0 HD2 LYS A 35 1.560 7.865 17.262 1.00 64.14 H new ATOM 0 HD3 LYS A 35 1.555 8.273 15.558 1.00 64.14 H new ATOM 0 HE2 LYS A 35 1.017 10.247 16.967 1.00 53.13 H new ATOM 0 HE3 LYS A 35 -0.303 9.853 15.883 1.00 53.13 H new ATOM 0 HZ1 LYS A 35 -1.039 10.359 18.152 1.00 52.15 H new ATOM 0 HZ2 LYS A 35 -1.476 8.788 17.680 1.00 52.15 H new ATOM 0 HZ3 LYS A 35 -0.170 9.024 18.740 1.00 52.15 H new ATOM 559 N THR A 36 -1.025 5.548 13.055 1.00 53.32 N ATOM 560 CA THR A 36 -1.821 6.190 11.997 1.00 12.31 C ATOM 561 C THR A 36 -2.893 5.214 11.447 1.00 11.24 C ATOM 562 O THR A 36 -4.027 5.613 11.176 1.00 1.22 O ATOM 563 CB THR A 36 -0.881 6.695 10.841 1.00 31.44 C ATOM 564 OG1 THR A 36 0.219 7.433 11.404 1.00 74.12 O ATOM 565 CG2 THR A 36 -1.598 7.610 9.833 1.00 31.54 C ATOM 0 H THR A 36 -0.056 5.378 12.784 1.00 53.32 H new ATOM 0 HA THR A 36 -2.337 7.050 12.425 1.00 12.31 H new ATOM 0 HB THR A 36 -0.543 5.806 10.309 1.00 31.44 H new ATOM 0 HG1 THR A 36 0.901 6.808 11.727 1.00 74.12 H new ATOM 0 HG21 THR A 36 -0.894 7.923 9.062 1.00 31.54 H new ATOM 0 HG22 THR A 36 -2.424 7.067 9.372 1.00 31.54 H new ATOM 0 HG23 THR A 36 -1.985 8.488 10.350 1.00 31.54 H new ATOM 573 N TRP A 37 -2.514 3.921 11.337 1.00 34.31 N ATOM 574 CA TRP A 37 -3.368 2.838 10.810 1.00 43.34 C ATOM 575 C TRP A 37 -4.621 2.670 11.686 1.00 75.43 C ATOM 576 O TRP A 37 -5.748 2.771 11.202 1.00 14.01 O ATOM 577 CB TRP A 37 -2.530 1.521 10.750 1.00 0.10 C ATOM 578 CG TRP A 37 -3.218 0.318 10.126 1.00 53.30 C ATOM 579 CD1 TRP A 37 -3.887 -0.683 10.774 1.00 14.24 C ATOM 580 CD2 TRP A 37 -3.277 -0.016 8.728 1.00 52.23 C ATOM 581 NE1 TRP A 37 -4.365 -1.598 9.869 1.00 54.55 N ATOM 582 CE2 TRP A 37 -4.003 -1.212 8.609 1.00 44.31 C ATOM 583 CE3 TRP A 37 -2.791 0.584 7.569 1.00 3.35 C ATOM 584 CZ2 TRP A 37 -4.252 -1.815 7.378 1.00 52.31 C ATOM 585 CZ3 TRP A 37 -3.038 -0.013 6.345 1.00 13.41 C ATOM 586 CH2 TRP A 37 -3.764 -1.202 6.259 1.00 43.11 C ATOM 0 H TRP A 37 -1.588 3.597 11.618 1.00 34.31 H new ATOM 0 HA TRP A 37 -3.708 3.086 9.804 1.00 43.34 H new ATOM 0 HB2 TRP A 37 -1.616 1.721 10.191 1.00 0.10 H new ATOM 0 HB3 TRP A 37 -2.232 1.258 11.765 1.00 0.10 H new ATOM 0 HD1 TRP A 37 -4.020 -0.745 11.844 1.00 14.24 H new ATOM 0 HE1 TRP A 37 -4.904 -2.432 10.100 1.00 54.55 H new ATOM 0 HE3 TRP A 37 -2.228 1.504 7.625 1.00 3.35 H new ATOM 0 HZ2 TRP A 37 -4.812 -2.736 7.311 1.00 52.31 H new ATOM 0 HZ3 TRP A 37 -2.663 0.448 5.443 1.00 13.41 H new ATOM 0 HH2 TRP A 37 -3.943 -1.645 5.291 1.00 43.11 H new ATOM 597 N LEU A 38 -4.398 2.496 12.992 1.00 43.41 N ATOM 598 CA LEU A 38 -5.469 2.283 13.976 1.00 2.41 C ATOM 599 C LEU A 38 -6.283 3.576 14.216 1.00 12.43 C ATOM 600 O LEU A 38 -7.475 3.518 14.563 1.00 10.10 O ATOM 601 CB LEU A 38 -4.839 1.750 15.291 1.00 61.30 C ATOM 602 CG LEU A 38 -4.050 0.403 15.163 1.00 71.32 C ATOM 603 CD1 LEU A 38 -3.434 -0.021 16.511 1.00 53.41 C ATOM 604 CD2 LEU A 38 -4.932 -0.719 14.562 1.00 32.53 C ATOM 0 H LEU A 38 -3.464 2.499 13.401 1.00 43.41 H new ATOM 0 HA LEU A 38 -6.173 1.545 13.591 1.00 2.41 H new ATOM 0 HB2 LEU A 38 -4.164 2.510 15.684 1.00 61.30 H new ATOM 0 HB3 LEU A 38 -5.633 1.617 16.026 1.00 61.30 H new ATOM 0 HG LEU A 38 -3.227 0.574 14.469 1.00 71.32 H new ATOM 0 HD11 LEU A 38 -2.894 -0.959 16.385 1.00 53.41 H new ATOM 0 HD12 LEU A 38 -2.745 0.751 16.855 1.00 53.41 H new ATOM 0 HD13 LEU A 38 -4.227 -0.154 17.247 1.00 53.41 H new ATOM 0 HD21 LEU A 38 -4.351 -1.638 14.488 1.00 32.53 H new ATOM 0 HD22 LEU A 38 -5.796 -0.886 15.205 1.00 32.53 H new ATOM 0 HD23 LEU A 38 -5.271 -0.423 13.569 1.00 32.53 H new ATOM 616 N SER A 39 -5.621 4.733 14.017 1.00 65.13 N ATOM 617 CA SER A 39 -6.227 6.069 14.184 1.00 71.54 C ATOM 618 C SER A 39 -7.139 6.448 13.000 1.00 61.40 C ATOM 619 O SER A 39 -7.982 7.345 13.144 1.00 71.31 O ATOM 620 CB SER A 39 -5.107 7.126 14.354 1.00 55.34 C ATOM 621 OG SER A 39 -5.607 8.423 14.643 1.00 71.44 O ATOM 0 H SER A 39 -4.642 4.767 13.733 1.00 65.13 H new ATOM 0 HA SER A 39 -6.853 6.042 15.076 1.00 71.54 H new ATOM 0 HB2 SER A 39 -4.439 6.813 15.156 1.00 55.34 H new ATOM 0 HB3 SER A 39 -4.512 7.167 13.441 1.00 55.34 H new ATOM 0 HG SER A 39 -4.858 9.048 14.741 1.00 71.44 H new ATOM 627 N LEU A 40 -6.968 5.785 11.833 1.00 11.42 N ATOM 628 CA LEU A 40 -7.770 6.070 10.618 1.00 2.15 C ATOM 629 C LEU A 40 -8.701 4.890 10.285 1.00 3.32 C ATOM 630 O LEU A 40 -8.508 3.770 10.773 1.00 53.15 O ATOM 631 CB LEU A 40 -6.832 6.372 9.410 1.00 3.11 C ATOM 632 CG LEU A 40 -5.895 7.615 9.557 1.00 2.23 C ATOM 633 CD1 LEU A 40 -5.007 7.784 8.312 1.00 23.04 C ATOM 634 CD2 LEU A 40 -6.689 8.903 9.862 1.00 42.20 C ATOM 0 H LEU A 40 -6.278 5.045 11.706 1.00 11.42 H new ATOM 0 HA LEU A 40 -8.386 6.947 10.815 1.00 2.15 H new ATOM 0 HB2 LEU A 40 -6.211 5.494 9.231 1.00 3.11 H new ATOM 0 HB3 LEU A 40 -7.450 6.512 8.523 1.00 3.11 H new ATOM 0 HG LEU A 40 -5.244 7.434 10.413 1.00 2.23 H new ATOM 0 HD11 LEU A 40 -4.365 8.655 8.439 1.00 23.04 H new ATOM 0 HD12 LEU A 40 -4.391 6.895 8.181 1.00 23.04 H new ATOM 0 HD13 LEU A 40 -5.636 7.922 7.433 1.00 23.04 H new ATOM 0 HD21 LEU A 40 -5.999 9.742 9.956 1.00 42.20 H new ATOM 0 HD22 LEU A 40 -7.390 9.099 9.051 1.00 42.20 H new ATOM 0 HD23 LEU A 40 -7.239 8.779 10.795 1.00 42.20 H new ATOM 646 N LYS A 41 -9.706 5.160 9.437 1.00 71.12 N ATOM 647 CA LYS A 41 -10.676 4.153 8.956 1.00 63.01 C ATOM 648 C LYS A 41 -10.287 3.692 7.542 1.00 43.34 C ATOM 649 O LYS A 41 -9.580 4.417 6.833 1.00 64.11 O ATOM 650 CB LYS A 41 -12.115 4.739 8.952 1.00 75.51 C ATOM 651 CG LYS A 41 -12.329 5.921 7.981 1.00 44.42 C ATOM 652 CD LYS A 41 -13.796 6.393 7.934 1.00 21.01 C ATOM 653 CE LYS A 41 -14.029 7.520 6.923 1.00 44.12 C ATOM 654 NZ LYS A 41 -15.460 7.931 6.878 1.00 72.52 N ATOM 0 H LYS A 41 -9.873 6.093 9.060 1.00 71.12 H new ATOM 0 HA LYS A 41 -10.657 3.297 9.630 1.00 63.01 H new ATOM 0 HB2 LYS A 41 -12.815 3.944 8.695 1.00 75.51 H new ATOM 0 HB3 LYS A 41 -12.362 5.067 9.962 1.00 75.51 H new ATOM 0 HG2 LYS A 41 -11.693 6.753 8.282 1.00 44.42 H new ATOM 0 HG3 LYS A 41 -12.014 5.626 6.980 1.00 44.42 H new ATOM 0 HD2 LYS A 41 -14.436 5.548 7.682 1.00 21.01 H new ATOM 0 HD3 LYS A 41 -14.094 6.734 8.925 1.00 21.01 H new ATOM 0 HE2 LYS A 41 -13.412 8.379 7.186 1.00 44.12 H new ATOM 0 HE3 LYS A 41 -13.713 7.192 5.933 1.00 44.12 H new ATOM 0 HZ1 LYS A 41 -15.580 8.695 6.183 1.00 72.52 H new ATOM 0 HZ2 LYS A 41 -16.046 7.117 6.602 1.00 72.52 H new ATOM 0 HZ3 LYS A 41 -15.754 8.268 7.817 1.00 72.52 H new ATOM 668 N VAL A 42 -10.695 2.465 7.160 1.00 42.31 N ATOM 669 CA VAL A 42 -10.519 1.956 5.784 1.00 34.51 C ATOM 670 C VAL A 42 -11.346 2.821 4.792 1.00 33.13 C ATOM 671 O VAL A 42 -12.572 2.914 4.917 1.00 24.53 O ATOM 672 CB VAL A 42 -10.927 0.431 5.679 1.00 32.35 C ATOM 673 CG1 VAL A 42 -10.819 -0.104 4.229 1.00 11.24 C ATOM 674 CG2 VAL A 42 -10.080 -0.435 6.648 1.00 12.44 C ATOM 0 H VAL A 42 -11.151 1.804 7.789 1.00 42.31 H new ATOM 0 HA VAL A 42 -9.464 2.029 5.521 1.00 34.51 H new ATOM 0 HB VAL A 42 -11.974 0.359 5.973 1.00 32.35 H new ATOM 0 HG11 VAL A 42 -11.109 -1.155 4.206 1.00 11.24 H new ATOM 0 HG12 VAL A 42 -11.481 0.469 3.579 1.00 11.24 H new ATOM 0 HG13 VAL A 42 -9.791 -0.004 3.880 1.00 11.24 H new ATOM 0 HG21 VAL A 42 -10.378 -1.479 6.558 1.00 12.44 H new ATOM 0 HG22 VAL A 42 -9.024 -0.336 6.396 1.00 12.44 H new ATOM 0 HG23 VAL A 42 -10.241 -0.099 7.672 1.00 12.44 H new ATOM 684 N ALA A 43 -10.650 3.462 3.832 1.00 10.21 N ATOM 685 CA ALA A 43 -11.277 4.353 2.825 1.00 65.23 C ATOM 686 C ALA A 43 -11.810 3.514 1.666 1.00 24.12 C ATOM 687 O ALA A 43 -12.943 3.682 1.211 1.00 51.25 O ATOM 688 CB ALA A 43 -10.258 5.390 2.309 1.00 43.15 C ATOM 0 H ALA A 43 -9.639 3.379 3.730 1.00 10.21 H new ATOM 0 HA ALA A 43 -12.103 4.890 3.292 1.00 65.23 H new ATOM 0 HB1 ALA A 43 -10.736 6.034 1.571 1.00 43.15 H new ATOM 0 HB2 ALA A 43 -9.901 5.995 3.142 1.00 43.15 H new ATOM 0 HB3 ALA A 43 -9.416 4.874 1.848 1.00 43.15 H new ATOM 694 N HIS A 44 -10.970 2.592 1.223 1.00 22.40 N ATOM 695 CA HIS A 44 -11.243 1.679 0.121 1.00 22.35 C ATOM 696 C HIS A 44 -10.634 0.311 0.445 1.00 60.14 C ATOM 697 O HIS A 44 -9.648 0.221 1.179 1.00 41.34 O ATOM 698 CB HIS A 44 -10.639 2.252 -1.191 1.00 63.55 C ATOM 699 CG HIS A 44 -10.807 1.354 -2.390 1.00 23.34 C ATOM 700 ND1 HIS A 44 -12.048 1.117 -2.918 1.00 54.22 N ATOM 701 CD2 HIS A 44 -9.888 0.624 -3.079 1.00 61.21 C ATOM 702 CE1 HIS A 44 -11.867 0.261 -3.901 1.00 34.22 C ATOM 703 NE2 HIS A 44 -10.575 -0.066 -4.044 1.00 32.01 N ATOM 0 H HIS A 44 -10.047 2.453 1.634 1.00 22.40 H new ATOM 0 HA HIS A 44 -12.318 1.566 -0.015 1.00 22.35 H new ATOM 0 HB2 HIS A 44 -11.105 3.214 -1.403 1.00 63.55 H new ATOM 0 HB3 HIS A 44 -9.576 2.440 -1.037 1.00 63.55 H new ATOM 0 HD1 HIS A 44 -12.933 1.522 -2.612 1.00 54.22 H new ATOM 0 HD2 HIS A 44 -8.823 0.594 -2.900 1.00 61.21 H new ATOM 0 HE1 HIS A 44 -12.663 -0.130 -4.518 1.00 34.22 H new ATOM 711 N GLN A 45 -11.231 -0.746 -0.110 1.00 71.43 N ATOM 712 CA GLN A 45 -10.706 -2.104 -0.013 1.00 5.24 C ATOM 713 C GLN A 45 -11.144 -2.873 -1.264 1.00 24.23 C ATOM 714 O GLN A 45 -12.340 -2.944 -1.561 1.00 33.34 O ATOM 715 CB GLN A 45 -11.197 -2.796 1.290 1.00 71.04 C ATOM 716 CG GLN A 45 -10.520 -4.145 1.603 1.00 74.31 C ATOM 717 CD GLN A 45 -10.948 -4.719 2.952 1.00 31.24 C ATOM 718 OE1 GLN A 45 -11.908 -5.486 3.049 1.00 34.11 O ATOM 719 NE2 GLN A 45 -10.268 -4.317 4.012 1.00 3.30 N ATOM 0 H GLN A 45 -12.098 -0.680 -0.643 1.00 71.43 H new ATOM 0 HA GLN A 45 -9.617 -2.086 0.038 1.00 5.24 H new ATOM 0 HB2 GLN A 45 -11.031 -2.119 2.128 1.00 71.04 H new ATOM 0 HB3 GLN A 45 -12.273 -2.954 1.217 1.00 71.04 H new ATOM 0 HG2 GLN A 45 -10.761 -4.859 0.816 1.00 74.31 H new ATOM 0 HG3 GLN A 45 -9.438 -4.015 1.595 1.00 74.31 H new ATOM 0 HE21 GLN A 45 -9.478 -3.682 3.900 1.00 3.30 H new ATOM 0 HE22 GLN A 45 -10.533 -4.642 4.942 1.00 3.30 H new ATOM 728 N GLN A 46 -10.175 -3.428 -1.999 1.00 70.04 N ATOM 729 CA GLN A 46 -10.423 -4.157 -3.253 1.00 20.51 C ATOM 730 C GLN A 46 -9.693 -5.498 -3.197 1.00 35.33 C ATOM 731 O GLN A 46 -8.525 -5.548 -2.818 1.00 15.22 O ATOM 732 CB GLN A 46 -9.921 -3.327 -4.468 1.00 60.14 C ATOM 733 CG GLN A 46 -10.186 -3.966 -5.847 1.00 62.23 C ATOM 734 CD GLN A 46 -11.674 -4.158 -6.153 1.00 63.20 C ATOM 735 OE1 GLN A 46 -12.254 -5.207 -5.860 1.00 61.55 O ATOM 736 NE2 GLN A 46 -12.306 -3.145 -6.728 1.00 71.44 N ATOM 0 H GLN A 46 -9.189 -3.385 -1.741 1.00 70.04 H new ATOM 0 HA GLN A 46 -11.494 -4.324 -3.372 1.00 20.51 H new ATOM 0 HB2 GLN A 46 -10.397 -2.347 -4.441 1.00 60.14 H new ATOM 0 HB3 GLN A 46 -8.849 -3.164 -4.360 1.00 60.14 H new ATOM 0 HG2 GLN A 46 -9.742 -3.340 -6.621 1.00 62.23 H new ATOM 0 HG3 GLN A 46 -9.686 -4.933 -5.893 1.00 62.23 H new ATOM 0 HE21 GLN A 46 -11.798 -2.291 -6.958 1.00 71.44 H new ATOM 0 HE22 GLN A 46 -13.301 -3.219 -6.941 1.00 71.44 H new ATOM 745 N VAL A 47 -10.385 -6.581 -3.559 1.00 70.51 N ATOM 746 CA VAL A 47 -9.772 -7.913 -3.656 1.00 5.52 C ATOM 747 C VAL A 47 -9.593 -8.267 -5.140 1.00 51.30 C ATOM 748 O VAL A 47 -10.550 -8.196 -5.922 1.00 73.54 O ATOM 749 CB VAL A 47 -10.624 -9.012 -2.917 1.00 23.24 C ATOM 750 CG1 VAL A 47 -9.946 -10.402 -3.007 1.00 74.40 C ATOM 751 CG2 VAL A 47 -10.891 -8.609 -1.442 1.00 13.03 C ATOM 0 H VAL A 47 -11.378 -6.563 -3.792 1.00 70.51 H new ATOM 0 HA VAL A 47 -8.802 -7.888 -3.160 1.00 5.52 H new ATOM 0 HB VAL A 47 -11.587 -9.084 -3.422 1.00 23.24 H new ATOM 0 HG11 VAL A 47 -10.558 -11.140 -2.488 1.00 74.40 H new ATOM 0 HG12 VAL A 47 -9.842 -10.689 -4.053 1.00 74.40 H new ATOM 0 HG13 VAL A 47 -8.961 -10.357 -2.543 1.00 74.40 H new ATOM 0 HG21 VAL A 47 -11.481 -9.385 -0.954 1.00 13.03 H new ATOM 0 HG22 VAL A 47 -9.942 -8.492 -0.919 1.00 13.03 H new ATOM 0 HG23 VAL A 47 -11.438 -7.666 -1.416 1.00 13.03 H new ATOM 761 N LEU A 48 -8.358 -8.629 -5.512 1.00 60.22 N ATOM 762 CA LEU A 48 -7.966 -8.950 -6.885 1.00 54.00 C ATOM 763 C LEU A 48 -7.414 -10.395 -6.909 1.00 4.22 C ATOM 764 O LEU A 48 -6.529 -10.714 -6.115 1.00 1.00 O ATOM 765 CB LEU A 48 -6.885 -7.945 -7.381 1.00 54.13 C ATOM 766 CG LEU A 48 -7.320 -6.452 -7.477 1.00 22.22 C ATOM 767 CD1 LEU A 48 -6.145 -5.562 -7.920 1.00 64.21 C ATOM 768 CD2 LEU A 48 -8.528 -6.281 -8.419 1.00 3.44 C ATOM 0 H LEU A 48 -7.587 -8.708 -4.848 1.00 60.22 H new ATOM 0 HA LEU A 48 -8.827 -8.874 -7.549 1.00 54.00 H new ATOM 0 HB2 LEU A 48 -6.027 -8.009 -6.712 1.00 54.13 H new ATOM 0 HB3 LEU A 48 -6.546 -8.266 -8.366 1.00 54.13 H new ATOM 0 HG LEU A 48 -7.628 -6.132 -6.481 1.00 22.22 H new ATOM 0 HD11 LEU A 48 -6.476 -4.525 -7.979 1.00 64.21 H new ATOM 0 HD12 LEU A 48 -5.334 -5.643 -7.196 1.00 64.21 H new ATOM 0 HD13 LEU A 48 -5.792 -5.886 -8.899 1.00 64.21 H new ATOM 0 HD21 LEU A 48 -8.808 -5.228 -8.465 1.00 3.44 H new ATOM 0 HD22 LEU A 48 -8.263 -6.630 -9.417 1.00 3.44 H new ATOM 0 HD23 LEU A 48 -9.369 -6.864 -8.042 1.00 3.44 H new ATOM 780 N PRO A 49 -7.930 -11.291 -7.801 1.00 53.33 N ATOM 781 CA PRO A 49 -7.470 -12.703 -7.878 1.00 65.22 C ATOM 782 C PRO A 49 -6.020 -12.814 -8.430 1.00 5.13 C ATOM 783 O PRO A 49 -5.753 -12.445 -9.581 1.00 42.25 O ATOM 784 CB PRO A 49 -8.514 -13.352 -8.831 1.00 2.43 C ATOM 785 CG PRO A 49 -9.007 -12.222 -9.692 1.00 54.43 C ATOM 786 CD PRO A 49 -8.992 -10.995 -8.805 1.00 21.02 C ATOM 0 HA PRO A 49 -7.419 -13.193 -6.905 1.00 65.22 H new ATOM 0 HB2 PRO A 49 -8.063 -14.140 -9.434 1.00 2.43 H new ATOM 0 HB3 PRO A 49 -9.331 -13.807 -8.271 1.00 2.43 H new ATOM 0 HG2 PRO A 49 -8.365 -12.084 -10.562 1.00 54.43 H new ATOM 0 HG3 PRO A 49 -10.011 -12.423 -10.065 1.00 54.43 H new ATOM 0 HD2 PRO A 49 -8.764 -10.094 -9.374 1.00 21.02 H new ATOM 0 HD3 PRO A 49 -9.959 -10.835 -8.328 1.00 21.02 H new ATOM 794 N TRP A 50 -5.079 -13.283 -7.584 1.00 74.34 N ATOM 795 CA TRP A 50 -3.658 -13.440 -7.966 1.00 22.51 C ATOM 796 C TRP A 50 -3.346 -14.915 -8.313 1.00 31.12 C ATOM 797 O TRP A 50 -3.715 -15.818 -7.566 1.00 11.24 O ATOM 798 CB TRP A 50 -2.732 -12.956 -6.812 1.00 75.11 C ATOM 799 CG TRP A 50 -1.305 -12.698 -7.264 1.00 55.25 C ATOM 800 CD1 TRP A 50 -0.349 -13.622 -7.602 1.00 4.32 C ATOM 801 CD2 TRP A 50 -0.684 -11.419 -7.437 1.00 63.14 C ATOM 802 NE1 TRP A 50 0.791 -12.989 -8.015 1.00 12.21 N ATOM 803 CE2 TRP A 50 0.619 -11.641 -7.905 1.00 2.34 C ATOM 804 CE3 TRP A 50 -1.110 -10.107 -7.244 1.00 45.52 C ATOM 805 CZ2 TRP A 50 1.496 -10.603 -8.187 1.00 70.33 C ATOM 806 CZ3 TRP A 50 -0.241 -9.076 -7.520 1.00 32.42 C ATOM 807 CH2 TRP A 50 1.051 -9.327 -7.987 1.00 4.04 C ATOM 0 H TRP A 50 -5.280 -13.562 -6.624 1.00 74.34 H new ATOM 0 HA TRP A 50 -3.471 -12.829 -8.849 1.00 22.51 H new ATOM 0 HB2 TRP A 50 -3.142 -12.042 -6.384 1.00 75.11 H new ATOM 0 HB3 TRP A 50 -2.727 -13.705 -6.020 1.00 75.11 H new ATOM 0 HD1 TRP A 50 -0.478 -14.693 -7.550 1.00 4.32 H new ATOM 0 HE1 TRP A 50 1.635 -13.452 -8.352 1.00 12.21 H new ATOM 0 HE3 TRP A 50 -2.107 -9.902 -6.883 1.00 45.52 H new ATOM 0 HZ2 TRP A 50 2.494 -10.797 -8.551 1.00 70.33 H new ATOM 0 HZ3 TRP A 50 -0.564 -8.056 -7.373 1.00 32.42 H new ATOM 0 HH2 TRP A 50 1.710 -8.497 -8.194 1.00 4.04 H new ATOM 864 N PHE A 54 3.168 -14.421 -6.103 1.00 42.30 N ATOM 865 CA PHE A 54 3.513 -13.008 -5.888 1.00 13.43 C ATOM 866 C PHE A 54 5.044 -12.870 -5.845 1.00 51.21 C ATOM 867 O PHE A 54 5.730 -13.711 -5.255 1.00 24.24 O ATOM 868 CB PHE A 54 2.872 -12.475 -4.568 1.00 71.15 C ATOM 869 CG PHE A 54 2.875 -10.945 -4.436 1.00 45.52 C ATOM 870 CD1 PHE A 54 4.036 -10.246 -4.124 1.00 70.44 C ATOM 871 CD2 PHE A 54 1.721 -10.204 -4.664 1.00 2.22 C ATOM 872 CE1 PHE A 54 4.042 -8.872 -4.053 1.00 3.01 C ATOM 873 CE2 PHE A 54 1.726 -8.820 -4.579 1.00 50.34 C ATOM 874 CZ PHE A 54 2.886 -8.159 -4.280 1.00 1.44 C ATOM 0 HA PHE A 54 3.118 -12.410 -6.709 1.00 13.43 H new ATOM 0 HB2 PHE A 54 1.844 -12.831 -4.508 1.00 71.15 H new ATOM 0 HB3 PHE A 54 3.407 -12.902 -3.720 1.00 71.15 H new ATOM 0 HD1 PHE A 54 4.949 -10.791 -3.934 1.00 70.44 H new ATOM 0 HD2 PHE A 54 0.803 -10.716 -4.912 1.00 2.22 H new ATOM 0 HE1 PHE A 54 4.958 -8.350 -3.818 1.00 3.01 H new ATOM 0 HE2 PHE A 54 0.815 -8.265 -4.749 1.00 50.34 H new ATOM 0 HZ PHE A 54 2.895 -7.081 -4.222 1.00 1.44 H new ATOM 884 N HIS A 55 5.566 -11.814 -6.488 1.00 51.42 N ATOM 885 CA HIS A 55 7.005 -11.482 -6.488 1.00 1.51 C ATOM 886 C HIS A 55 7.249 -10.315 -5.492 1.00 74.54 C ATOM 887 O HIS A 55 7.010 -9.151 -5.844 1.00 24.54 O ATOM 888 CB HIS A 55 7.465 -11.102 -7.922 1.00 55.45 C ATOM 889 CG HIS A 55 7.303 -12.188 -8.968 1.00 4.52 C ATOM 890 ND1 HIS A 55 8.376 -12.835 -9.547 1.00 42.34 N ATOM 891 CD2 HIS A 55 6.198 -12.713 -9.564 1.00 53.50 C ATOM 892 CE1 HIS A 55 7.946 -13.688 -10.448 1.00 11.33 C ATOM 893 NE2 HIS A 55 6.633 -13.636 -10.477 1.00 61.15 N ATOM 0 H HIS A 55 4.999 -11.160 -7.028 1.00 51.42 H new ATOM 0 HA HIS A 55 7.589 -12.346 -6.172 1.00 1.51 H new ATOM 0 HB2 HIS A 55 6.904 -10.225 -8.244 1.00 55.45 H new ATOM 0 HB3 HIS A 55 8.515 -10.813 -7.883 1.00 55.45 H new ATOM 0 HD2 HIS A 55 5.171 -12.451 -9.356 1.00 53.50 H new ATOM 0 HE1 HIS A 55 8.566 -14.325 -11.061 1.00 11.33 H new ATOM 0 HE2 HIS A 55 6.033 -14.195 -11.084 1.00 61.15 H new ATOM 902 N PRO A 56 7.681 -10.610 -4.220 1.00 52.22 N ATOM 903 CA PRO A 56 7.757 -9.589 -3.132 1.00 10.22 C ATOM 904 C PRO A 56 8.858 -8.530 -3.357 1.00 4.12 C ATOM 905 O PRO A 56 8.671 -7.354 -3.019 1.00 34.22 O ATOM 906 CB PRO A 56 8.007 -10.446 -1.862 1.00 13.52 C ATOM 907 CG PRO A 56 8.691 -11.685 -2.356 1.00 14.44 C ATOM 908 CD PRO A 56 8.113 -11.956 -3.732 1.00 31.32 C ATOM 0 HA PRO A 56 6.852 -8.985 -3.071 1.00 10.22 H new ATOM 0 HB2 PRO A 56 8.628 -9.913 -1.143 1.00 13.52 H new ATOM 0 HB3 PRO A 56 7.071 -10.687 -1.358 1.00 13.52 H new ATOM 0 HG2 PRO A 56 9.770 -11.542 -2.407 1.00 14.44 H new ATOM 0 HG3 PRO A 56 8.512 -12.525 -1.684 1.00 14.44 H new ATOM 0 HD2 PRO A 56 8.855 -12.401 -4.395 1.00 31.32 H new ATOM 0 HD3 PRO A 56 7.274 -12.650 -3.682 1.00 31.32 H new ATOM 916 N ASP A 57 10.001 -8.959 -3.923 1.00 40.14 N ATOM 917 CA ASP A 57 11.114 -8.054 -4.272 1.00 34.12 C ATOM 918 C ASP A 57 10.703 -7.119 -5.421 1.00 21.34 C ATOM 919 O ASP A 57 10.964 -5.923 -5.360 1.00 2.31 O ATOM 920 CB ASP A 57 12.393 -8.836 -4.670 1.00 55.34 C ATOM 921 CG ASP A 57 12.826 -9.881 -3.631 1.00 42.20 C ATOM 922 OD1 ASP A 57 12.217 -10.973 -3.592 1.00 73.04 O ATOM 923 OD2 ASP A 57 13.773 -9.628 -2.849 1.00 21.41 O ATOM 0 H ASP A 57 10.180 -9.937 -4.151 1.00 40.14 H new ATOM 0 HA ASP A 57 11.342 -7.465 -3.384 1.00 34.12 H new ATOM 0 HB2 ASP A 57 12.221 -9.335 -5.624 1.00 55.34 H new ATOM 0 HB3 ASP A 57 13.208 -8.129 -4.822 1.00 55.34 H new ATOM 928 N THR A 58 10.023 -7.686 -6.446 1.00 1.43 N ATOM 929 CA THR A 58 9.533 -6.928 -7.615 1.00 51.54 C ATOM 930 C THR A 58 8.518 -5.857 -7.159 1.00 43.43 C ATOM 931 O THR A 58 8.484 -4.745 -7.715 1.00 23.13 O ATOM 932 CB THR A 58 8.879 -7.885 -8.672 1.00 33.33 C ATOM 933 OG1 THR A 58 9.817 -8.917 -9.037 1.00 3.54 O ATOM 934 CG2 THR A 58 8.410 -7.159 -9.949 1.00 71.23 C ATOM 0 H THR A 58 9.801 -8.681 -6.483 1.00 1.43 H new ATOM 0 HA THR A 58 10.383 -6.436 -8.088 1.00 51.54 H new ATOM 0 HB THR A 58 7.993 -8.309 -8.199 1.00 33.33 H new ATOM 0 HG1 THR A 58 9.406 -9.515 -9.696 1.00 3.54 H new ATOM 0 HG21 THR A 58 7.968 -7.880 -10.636 1.00 71.23 H new ATOM 0 HG22 THR A 58 7.667 -6.405 -9.687 1.00 71.23 H new ATOM 0 HG23 THR A 58 9.263 -6.677 -10.428 1.00 71.23 H new ATOM 942 N LEU A 59 7.724 -6.204 -6.108 1.00 51.42 N ATOM 943 CA LEU A 59 6.808 -5.256 -5.460 1.00 32.45 C ATOM 944 C LEU A 59 7.600 -4.086 -4.879 1.00 61.10 C ATOM 945 O LEU A 59 7.372 -2.954 -5.277 1.00 44.25 O ATOM 946 CB LEU A 59 5.982 -5.921 -4.326 1.00 25.32 C ATOM 947 CG LEU A 59 5.042 -4.955 -3.517 1.00 53.34 C ATOM 948 CD1 LEU A 59 3.882 -4.408 -4.376 1.00 2.02 C ATOM 949 CD2 LEU A 59 4.523 -5.604 -2.225 1.00 43.55 C ATOM 0 H LEU A 59 7.709 -7.139 -5.700 1.00 51.42 H new ATOM 0 HA LEU A 59 6.113 -4.905 -6.223 1.00 32.45 H new ATOM 0 HB2 LEU A 59 5.372 -6.713 -4.761 1.00 25.32 H new ATOM 0 HB3 LEU A 59 6.672 -6.396 -3.629 1.00 25.32 H new ATOM 0 HG LEU A 59 5.656 -4.102 -3.229 1.00 53.34 H new ATOM 0 HD11 LEU A 59 3.262 -3.746 -3.771 1.00 2.02 H new ATOM 0 HD12 LEU A 59 4.286 -3.853 -5.223 1.00 2.02 H new ATOM 0 HD13 LEU A 59 3.277 -5.238 -4.742 1.00 2.02 H new ATOM 0 HD21 LEU A 59 3.878 -4.901 -1.698 1.00 43.55 H new ATOM 0 HD22 LEU A 59 3.956 -6.502 -2.471 1.00 43.55 H new ATOM 0 HD23 LEU A 59 5.366 -5.870 -1.587 1.00 43.55 H new ATOM 961 N GLN A 60 8.598 -4.405 -4.012 1.00 43.41 N ATOM 962 CA GLN A 60 9.349 -3.390 -3.246 1.00 41.53 C ATOM 963 C GLN A 60 10.058 -2.416 -4.195 1.00 63.41 C ATOM 964 O GLN A 60 10.009 -1.206 -3.989 1.00 60.12 O ATOM 965 CB GLN A 60 10.383 -4.040 -2.282 1.00 32.14 C ATOM 966 CG GLN A 60 11.082 -3.020 -1.348 1.00 54.42 C ATOM 967 CD GLN A 60 12.179 -3.625 -0.471 1.00 13.24 C ATOM 968 OE1 GLN A 60 13.341 -3.702 -0.876 1.00 32.42 O ATOM 969 NE2 GLN A 60 11.828 -4.043 0.739 1.00 41.30 N ATOM 0 H GLN A 60 8.897 -5.363 -3.830 1.00 43.41 H new ATOM 0 HA GLN A 60 8.627 -2.841 -2.641 1.00 41.53 H new ATOM 0 HB2 GLN A 60 9.879 -4.791 -1.674 1.00 32.14 H new ATOM 0 HB3 GLN A 60 11.139 -4.560 -2.870 1.00 32.14 H new ATOM 0 HG2 GLN A 60 11.515 -2.225 -1.955 1.00 54.42 H new ATOM 0 HG3 GLN A 60 10.332 -2.558 -0.706 1.00 54.42 H new ATOM 0 HE21 GLN A 60 10.858 -3.965 1.044 1.00 41.30 H new ATOM 0 HE22 GLN A 60 12.529 -4.442 1.364 1.00 41.30 H new ATOM 978 N MET A 61 10.678 -2.970 -5.256 1.00 50.11 N ATOM 979 CA MET A 61 11.385 -2.185 -6.283 1.00 22.12 C ATOM 980 C MET A 61 10.430 -1.202 -6.999 1.00 12.53 C ATOM 981 O MET A 61 10.767 -0.025 -7.170 1.00 14.32 O ATOM 982 CB MET A 61 12.045 -3.116 -7.331 1.00 32.21 C ATOM 983 CG MET A 61 13.088 -4.096 -6.776 1.00 42.22 C ATOM 984 SD MET A 61 14.471 -3.286 -5.945 1.00 22.22 S ATOM 985 CE MET A 61 15.462 -4.698 -5.442 1.00 3.25 C ATOM 0 H MET A 61 10.702 -3.976 -5.423 1.00 50.11 H new ATOM 0 HA MET A 61 12.159 -1.611 -5.773 1.00 22.12 H new ATOM 0 HB2 MET A 61 11.262 -3.688 -7.828 1.00 32.21 H new ATOM 0 HB3 MET A 61 12.521 -2.498 -8.093 1.00 32.21 H new ATOM 0 HG2 MET A 61 12.601 -4.774 -6.075 1.00 42.22 H new ATOM 0 HG3 MET A 61 13.473 -4.705 -7.594 1.00 42.22 H new ATOM 0 HE1 MET A 61 16.351 -4.350 -4.916 1.00 3.25 H new ATOM 0 HE2 MET A 61 14.876 -5.337 -4.781 1.00 3.25 H new ATOM 0 HE3 MET A 61 15.761 -5.265 -6.323 1.00 3.25 H new ATOM 995 N ALA A 62 9.234 -1.701 -7.395 1.00 65.34 N ATOM 996 CA ALA A 62 8.214 -0.889 -8.093 1.00 35.14 C ATOM 997 C ALA A 62 7.667 0.214 -7.166 1.00 70.44 C ATOM 998 O ALA A 62 7.469 1.357 -7.602 1.00 50.55 O ATOM 999 CB ALA A 62 7.081 -1.791 -8.614 1.00 43.31 C ATOM 0 H ALA A 62 8.953 -2.669 -7.240 1.00 65.34 H new ATOM 0 HA ALA A 62 8.681 -0.401 -8.948 1.00 35.14 H new ATOM 0 HB1 ALA A 62 6.337 -1.181 -9.126 1.00 43.31 H new ATOM 0 HB2 ALA A 62 7.490 -2.524 -9.309 1.00 43.31 H new ATOM 0 HB3 ALA A 62 6.613 -2.308 -7.776 1.00 43.31 H new ATOM 1005 N LEU A 63 7.496 -0.143 -5.865 1.00 35.22 N ATOM 1006 CA LEU A 63 7.037 0.784 -4.812 1.00 14.45 C ATOM 1007 C LEU A 63 7.998 1.971 -4.698 1.00 21.03 C ATOM 1008 O LEU A 63 7.567 3.113 -4.666 1.00 25.12 O ATOM 1009 CB LEU A 63 6.930 0.071 -3.434 1.00 14.21 C ATOM 1010 CG LEU A 63 5.885 -1.073 -3.319 1.00 11.41 C ATOM 1011 CD1 LEU A 63 5.969 -1.739 -1.935 1.00 3.40 C ATOM 1012 CD2 LEU A 63 4.456 -0.582 -3.628 1.00 14.14 C ATOM 0 H LEU A 63 7.675 -1.087 -5.523 1.00 35.22 H new ATOM 0 HA LEU A 63 6.046 1.139 -5.094 1.00 14.45 H new ATOM 0 HB2 LEU A 63 7.910 -0.337 -3.185 1.00 14.21 H new ATOM 0 HB3 LEU A 63 6.696 0.822 -2.680 1.00 14.21 H new ATOM 0 HG LEU A 63 6.125 -1.823 -4.073 1.00 11.41 H new ATOM 0 HD11 LEU A 63 5.231 -2.538 -1.870 1.00 3.40 H new ATOM 0 HD12 LEU A 63 6.967 -2.154 -1.791 1.00 3.40 H new ATOM 0 HD13 LEU A 63 5.769 -0.997 -1.162 1.00 3.40 H new ATOM 0 HD21 LEU A 63 3.758 -1.414 -3.536 1.00 14.14 H new ATOM 0 HD22 LEU A 63 4.181 0.203 -2.923 1.00 14.14 H new ATOM 0 HD23 LEU A 63 4.418 -0.187 -4.643 1.00 14.14 H new ATOM 1024 N GLN A 64 9.306 1.662 -4.674 1.00 1.33 N ATOM 1025 CA GLN A 64 10.382 2.674 -4.645 1.00 11.12 C ATOM 1026 C GLN A 64 10.241 3.692 -5.799 1.00 40.54 C ATOM 1027 O GLN A 64 10.337 4.906 -5.565 1.00 43.24 O ATOM 1028 CB GLN A 64 11.773 1.986 -4.692 1.00 14.11 C ATOM 1029 CG GLN A 64 12.066 1.073 -3.486 1.00 24.33 C ATOM 1030 CD GLN A 64 13.372 0.281 -3.604 1.00 11.11 C ATOM 1031 OE1 GLN A 64 14.347 0.740 -4.202 1.00 2.32 O ATOM 1032 NE2 GLN A 64 13.396 -0.926 -3.062 1.00 35.42 N ATOM 0 H GLN A 64 9.650 0.702 -4.674 1.00 1.33 H new ATOM 0 HA GLN A 64 10.292 3.225 -3.709 1.00 11.12 H new ATOM 0 HB2 GLN A 64 11.844 1.396 -5.606 1.00 14.11 H new ATOM 0 HB3 GLN A 64 12.544 2.754 -4.748 1.00 14.11 H new ATOM 0 HG2 GLN A 64 12.104 1.683 -2.583 1.00 24.33 H new ATOM 0 HG3 GLN A 64 11.239 0.373 -3.364 1.00 24.33 H new ATOM 0 HE21 GLN A 64 12.575 -1.282 -2.572 1.00 35.42 H new ATOM 0 HE22 GLN A 64 14.236 -1.501 -3.134 1.00 35.42 H new ATOM 1041 N VAL A 65 9.927 3.193 -7.023 1.00 53.15 N ATOM 1042 CA VAL A 65 9.758 4.043 -8.226 1.00 32.13 C ATOM 1043 C VAL A 65 8.598 5.041 -8.024 1.00 31.25 C ATOM 1044 O VAL A 65 8.717 6.231 -8.348 1.00 31.13 O ATOM 1045 CB VAL A 65 9.483 3.158 -9.513 1.00 4.21 C ATOM 1046 CG1 VAL A 65 9.242 4.016 -10.781 1.00 12.32 C ATOM 1047 CG2 VAL A 65 10.626 2.143 -9.744 1.00 63.41 C ATOM 0 H VAL A 65 9.785 2.199 -7.201 1.00 53.15 H new ATOM 0 HA VAL A 65 10.685 4.597 -8.375 1.00 32.13 H new ATOM 0 HB VAL A 65 8.563 2.605 -9.323 1.00 4.21 H new ATOM 0 HG11 VAL A 65 9.059 3.362 -11.633 1.00 12.32 H new ATOM 0 HG12 VAL A 65 8.377 4.660 -10.625 1.00 12.32 H new ATOM 0 HG13 VAL A 65 10.121 4.630 -10.977 1.00 12.32 H new ATOM 0 HG21 VAL A 65 10.411 1.550 -10.633 1.00 63.41 H new ATOM 0 HG22 VAL A 65 11.565 2.678 -9.883 1.00 63.41 H new ATOM 0 HG23 VAL A 65 10.708 1.485 -8.879 1.00 63.41 H new ATOM 1057 N VAL A 66 7.507 4.547 -7.413 1.00 12.55 N ATOM 1058 CA VAL A 66 6.267 5.321 -7.214 1.00 75.32 C ATOM 1059 C VAL A 66 6.180 5.890 -5.777 1.00 12.31 C ATOM 1060 O VAL A 66 5.114 6.363 -5.362 1.00 15.43 O ATOM 1061 CB VAL A 66 5.003 4.451 -7.561 1.00 11.14 C ATOM 1062 CG1 VAL A 66 5.018 4.019 -9.043 1.00 11.23 C ATOM 1063 CG2 VAL A 66 4.887 3.224 -6.634 1.00 43.32 C ATOM 0 H VAL A 66 7.459 3.598 -7.042 1.00 12.55 H new ATOM 0 HA VAL A 66 6.290 6.169 -7.898 1.00 75.32 H new ATOM 0 HB VAL A 66 4.124 5.074 -7.396 1.00 11.14 H new ATOM 0 HG11 VAL A 66 4.133 3.419 -9.256 1.00 11.23 H new ATOM 0 HG12 VAL A 66 5.018 4.904 -9.680 1.00 11.23 H new ATOM 0 HG13 VAL A 66 5.913 3.429 -9.241 1.00 11.23 H new ATOM 0 HG21 VAL A 66 4.002 2.647 -6.903 1.00 43.32 H new ATOM 0 HG22 VAL A 66 5.774 2.600 -6.743 1.00 43.32 H new ATOM 0 HG23 VAL A 66 4.802 3.556 -5.599 1.00 43.32 H new ATOM 1073 N ASN A 67 7.326 5.844 -5.037 1.00 4.04 N ATOM 1074 CA ASN A 67 7.517 6.532 -3.733 1.00 64.21 C ATOM 1075 C ASN A 67 6.592 6.003 -2.613 1.00 42.22 C ATOM 1076 O ASN A 67 6.247 6.733 -1.672 1.00 52.35 O ATOM 1077 CB ASN A 67 7.393 8.070 -3.910 1.00 42.13 C ATOM 1078 CG ASN A 67 8.409 8.627 -4.918 1.00 62.14 C ATOM 1079 OD1 ASN A 67 8.150 8.679 -6.123 1.00 13.33 O ATOM 1080 ND2 ASN A 67 9.579 9.025 -4.440 1.00 4.45 N ATOM 0 H ASN A 67 8.149 5.321 -5.336 1.00 4.04 H new ATOM 0 HA ASN A 67 8.528 6.300 -3.399 1.00 64.21 H new ATOM 0 HB2 ASN A 67 6.384 8.315 -4.242 1.00 42.13 H new ATOM 0 HB3 ASN A 67 7.538 8.557 -2.946 1.00 42.13 H new ATOM 0 HD21 ASN A 67 10.293 9.386 -5.073 1.00 4.45 H new ATOM 0 HD22 ASN A 67 9.766 8.971 -3.439 1.00 4.45 H new ATOM 1087 N ILE A 68 6.256 4.705 -2.688 1.00 33.43 N ATOM 1088 CA ILE A 68 5.550 3.985 -1.620 1.00 43.52 C ATOM 1089 C ILE A 68 6.611 3.267 -0.768 1.00 54.15 C ATOM 1090 O ILE A 68 7.370 2.446 -1.288 1.00 43.41 O ATOM 1091 CB ILE A 68 4.533 2.910 -2.178 1.00 2.22 C ATOM 1092 CG1 ILE A 68 3.616 3.504 -3.291 1.00 44.11 C ATOM 1093 CG2 ILE A 68 3.689 2.281 -1.034 1.00 52.21 C ATOM 1094 CD1 ILE A 68 2.779 4.693 -2.888 1.00 30.31 C ATOM 0 H ILE A 68 6.469 4.123 -3.498 1.00 33.43 H new ATOM 0 HA ILE A 68 4.971 4.706 -1.042 1.00 43.52 H new ATOM 0 HB ILE A 68 5.124 2.115 -2.633 1.00 2.22 H new ATOM 0 HG12 ILE A 68 4.242 3.794 -4.135 1.00 44.11 H new ATOM 0 HG13 ILE A 68 2.949 2.717 -3.644 1.00 44.11 H new ATOM 0 HG21 ILE A 68 3.000 1.547 -1.452 1.00 52.21 H new ATOM 0 HG22 ILE A 68 4.351 1.792 -0.320 1.00 52.21 H new ATOM 0 HG23 ILE A 68 3.123 3.063 -0.528 1.00 52.21 H new ATOM 0 HD11 ILE A 68 2.182 5.023 -3.738 1.00 30.31 H new ATOM 0 HD12 ILE A 68 2.118 4.412 -2.068 1.00 30.31 H new ATOM 0 HD13 ILE A 68 3.431 5.505 -2.566 1.00 30.31 H new ATOM 1106 N GLN A 69 6.696 3.628 0.509 1.00 60.41 N ATOM 1107 CA GLN A 69 7.574 2.964 1.479 1.00 61.44 C ATOM 1108 C GLN A 69 7.020 1.565 1.827 1.00 20.31 C ATOM 1109 O GLN A 69 5.800 1.372 1.915 1.00 12.42 O ATOM 1110 CB GLN A 69 7.670 3.819 2.769 1.00 43.31 C ATOM 1111 CG GLN A 69 8.741 3.337 3.776 1.00 40.34 C ATOM 1112 CD GLN A 69 8.557 3.887 5.190 1.00 32.21 C ATOM 1113 OE1 GLN A 69 7.961 4.945 5.389 1.00 62.02 O ATOM 1114 NE2 GLN A 69 9.092 3.190 6.183 1.00 43.32 N ATOM 0 H GLN A 69 6.155 4.395 0.907 1.00 60.41 H new ATOM 0 HA GLN A 69 8.566 2.855 1.040 1.00 61.44 H new ATOM 0 HB2 GLN A 69 7.888 4.850 2.492 1.00 43.31 H new ATOM 0 HB3 GLN A 69 6.698 3.820 3.263 1.00 43.31 H new ATOM 0 HG2 GLN A 69 8.724 2.248 3.816 1.00 40.34 H new ATOM 0 HG3 GLN A 69 9.726 3.627 3.410 1.00 40.34 H new ATOM 0 HE21 GLN A 69 9.580 2.316 5.987 1.00 43.32 H new ATOM 0 HE22 GLN A 69 9.015 3.528 7.142 1.00 43.32 H new ATOM 1123 N THR A 70 7.925 0.602 2.018 1.00 41.21 N ATOM 1124 CA THR A 70 7.598 -0.700 2.596 1.00 62.21 C ATOM 1125 C THR A 70 7.867 -0.616 4.112 1.00 14.10 C ATOM 1126 O THR A 70 8.998 -0.349 4.530 1.00 45.52 O ATOM 1127 CB THR A 70 8.457 -1.837 1.947 1.00 1.15 C ATOM 1128 OG1 THR A 70 8.274 -1.833 0.518 1.00 74.40 O ATOM 1129 CG2 THR A 70 8.083 -3.227 2.502 1.00 62.51 C ATOM 0 H THR A 70 8.910 0.706 1.774 1.00 41.21 H new ATOM 0 HA THR A 70 6.553 -0.942 2.405 1.00 62.21 H new ATOM 0 HB THR A 70 9.500 -1.641 2.194 1.00 1.15 H new ATOM 0 HG1 THR A 70 8.224 -2.756 0.192 1.00 74.40 H new ATOM 0 HG21 THR A 70 8.702 -3.987 2.026 1.00 62.51 H new ATOM 0 HG22 THR A 70 8.250 -3.246 3.579 1.00 62.51 H new ATOM 0 HG23 THR A 70 7.033 -3.431 2.294 1.00 62.51 H new ATOM 1137 N ILE A 71 6.806 -0.763 4.914 1.00 41.13 N ATOM 1138 CA ILE A 71 6.890 -0.807 6.388 1.00 52.42 C ATOM 1139 C ILE A 71 7.237 -2.246 6.824 1.00 55.42 C ATOM 1140 O ILE A 71 8.184 -2.472 7.587 1.00 71.41 O ATOM 1141 CB ILE A 71 5.520 -0.352 7.031 1.00 74.24 C ATOM 1142 CG1 ILE A 71 5.149 1.105 6.595 1.00 42.34 C ATOM 1143 CG2 ILE A 71 5.523 -0.491 8.574 1.00 10.02 C ATOM 1144 CD1 ILE A 71 6.040 2.205 7.153 1.00 53.32 C ATOM 0 H ILE A 71 5.854 -0.856 4.560 1.00 41.13 H new ATOM 0 HA ILE A 71 7.667 -0.124 6.731 1.00 52.42 H new ATOM 0 HB ILE A 71 4.751 -1.025 6.653 1.00 74.24 H new ATOM 0 HG12 ILE A 71 5.176 1.157 5.507 1.00 42.34 H new ATOM 0 HG13 ILE A 71 4.121 1.305 6.898 1.00 42.34 H new ATOM 0 HG21 ILE A 71 4.561 -0.167 8.970 1.00 10.02 H new ATOM 0 HG22 ILE A 71 5.694 -1.533 8.845 1.00 10.02 H new ATOM 0 HG23 ILE A 71 6.316 0.128 8.994 1.00 10.02 H new ATOM 0 HD11 ILE A 71 5.695 3.173 6.789 1.00 53.32 H new ATOM 0 HD12 ILE A 71 5.997 2.191 8.242 1.00 53.32 H new ATOM 0 HD13 ILE A 71 7.068 2.041 6.829 1.00 53.32 H new ATOM 1156 N ALA A 72 6.462 -3.211 6.306 1.00 3.32 N ATOM 1157 CA ALA A 72 6.642 -4.648 6.581 1.00 30.12 C ATOM 1158 C ALA A 72 6.264 -5.466 5.332 1.00 43.55 C ATOM 1159 O ALA A 72 5.532 -4.973 4.466 1.00 71.13 O ATOM 1160 CB ALA A 72 5.791 -5.065 7.801 1.00 10.51 C ATOM 0 H ALA A 72 5.683 -3.015 5.677 1.00 3.32 H new ATOM 0 HA ALA A 72 7.687 -4.846 6.818 1.00 30.12 H new ATOM 0 HB1 ALA A 72 5.931 -6.128 7.996 1.00 10.51 H new ATOM 0 HB2 ALA A 72 6.102 -4.492 8.675 1.00 10.51 H new ATOM 0 HB3 ALA A 72 4.739 -4.869 7.595 1.00 10.51 H new ATOM 1166 N MET A 73 6.806 -6.690 5.230 1.00 53.35 N ATOM 1167 CA MET A 73 6.509 -7.633 4.128 1.00 15.02 C ATOM 1168 C MET A 73 6.827 -9.074 4.577 1.00 23.10 C ATOM 1169 O MET A 73 7.825 -9.294 5.275 1.00 10.52 O ATOM 1170 CB MET A 73 7.336 -7.261 2.864 1.00 2.40 C ATOM 1171 CG MET A 73 7.039 -8.095 1.608 1.00 71.11 C ATOM 1172 SD MET A 73 8.040 -7.617 0.178 1.00 4.11 S ATOM 1173 CE MET A 73 7.560 -5.906 -0.081 1.00 5.44 C ATOM 0 H MET A 73 7.468 -7.060 5.912 1.00 53.35 H new ATOM 0 HA MET A 73 5.450 -7.567 3.877 1.00 15.02 H new ATOM 0 HB2 MET A 73 7.159 -6.211 2.632 1.00 2.40 H new ATOM 0 HB3 MET A 73 8.395 -7.360 3.102 1.00 2.40 H new ATOM 0 HG2 MET A 73 7.214 -9.148 1.830 1.00 71.11 H new ATOM 0 HG3 MET A 73 5.984 -7.994 1.354 1.00 71.11 H new ATOM 0 HE1 MET A 73 7.472 -5.711 -1.150 1.00 5.44 H new ATOM 0 HE2 MET A 73 6.601 -5.720 0.402 1.00 5.44 H new ATOM 0 HE3 MET A 73 8.316 -5.247 0.347 1.00 5.44 H new ATOM 1183 N SER A 74 5.966 -10.041 4.202 1.00 65.11 N ATOM 1184 CA SER A 74 6.211 -11.480 4.442 1.00 40.53 C ATOM 1185 C SER A 74 7.137 -12.055 3.350 1.00 3.12 C ATOM 1186 O SER A 74 7.362 -11.416 2.309 1.00 62.14 O ATOM 1187 CB SER A 74 4.869 -12.245 4.492 1.00 21.12 C ATOM 1188 OG SER A 74 4.006 -11.708 5.485 1.00 12.21 O ATOM 0 H SER A 74 5.084 -9.849 3.726 1.00 65.11 H new ATOM 0 HA SER A 74 6.709 -11.601 5.404 1.00 40.53 H new ATOM 0 HB2 SER A 74 4.382 -12.194 3.518 1.00 21.12 H new ATOM 0 HB3 SER A 74 5.056 -13.298 4.700 1.00 21.12 H new ATOM 0 HG SER A 74 3.324 -12.372 5.719 1.00 12.21 H new ATOM 1194 N ARG A 75 7.665 -13.265 3.587 1.00 63.15 N ATOM 1195 CA ARG A 75 8.668 -13.896 2.703 1.00 30.33 C ATOM 1196 C ARG A 75 7.978 -14.726 1.604 1.00 0.43 C ATOM 1197 O ARG A 75 6.781 -15.026 1.699 1.00 11.51 O ATOM 1198 CB ARG A 75 9.647 -14.768 3.554 1.00 75.11 C ATOM 1199 CG ARG A 75 10.547 -13.933 4.501 1.00 4.21 C ATOM 1200 CD ARG A 75 11.530 -14.773 5.352 1.00 31.54 C ATOM 1201 NE ARG A 75 12.429 -13.902 6.149 1.00 42.33 N ATOM 1202 CZ ARG A 75 13.149 -14.271 7.233 1.00 71.54 C ATOM 1203 NH1 ARG A 75 13.113 -15.522 7.703 1.00 51.31 N ATOM 1204 NH2 ARG A 75 13.909 -13.362 7.844 1.00 13.03 N ATOM 0 H ARG A 75 7.412 -13.836 4.394 1.00 63.15 H new ATOM 0 HA ARG A 75 9.248 -13.119 2.205 1.00 30.33 H new ATOM 0 HB2 ARG A 75 9.069 -15.478 4.146 1.00 75.11 H new ATOM 0 HB3 ARG A 75 10.279 -15.351 2.884 1.00 75.11 H new ATOM 0 HG2 ARG A 75 11.118 -13.220 3.906 1.00 4.21 H new ATOM 0 HG3 ARG A 75 9.911 -13.353 5.169 1.00 4.21 H new ATOM 0 HD2 ARG A 75 10.970 -15.429 6.019 1.00 31.54 H new ATOM 0 HD3 ARG A 75 12.124 -15.414 4.700 1.00 31.54 H new ATOM 0 HE ARG A 75 12.512 -12.930 5.850 1.00 42.33 H new ATOM 0 HH11 ARG A 75 12.533 -16.223 7.242 1.00 51.31 H new ATOM 0 HH12 ARG A 75 13.665 -15.775 8.522 1.00 51.31 H new ATOM 0 HH21 ARG A 75 13.941 -12.405 7.493 1.00 13.03 H new ATOM 0 HH22 ARG A 75 14.458 -13.624 8.663 1.00 13.03 H new ATOM 1218 N ALA A 76 8.739 -15.048 0.542 1.00 30.00 N ATOM 1219 CA ALA A 76 8.264 -15.914 -0.551 1.00 54.41 C ATOM 1220 C ALA A 76 8.110 -17.356 -0.027 1.00 71.50 C ATOM 1221 O ALA A 76 9.076 -17.950 0.467 1.00 61.12 O ATOM 1222 CB ALA A 76 9.228 -15.853 -1.751 1.00 13.24 C ATOM 0 H ALA A 76 9.696 -14.717 0.418 1.00 30.00 H new ATOM 0 HA ALA A 76 7.293 -15.562 -0.898 1.00 54.41 H new ATOM 0 HB1 ALA A 76 8.859 -16.499 -2.547 1.00 13.24 H new ATOM 0 HB2 ALA A 76 9.291 -14.828 -2.116 1.00 13.24 H new ATOM 0 HB3 ALA A 76 10.217 -16.189 -1.440 1.00 13.24 H new ATOM 1228 N GLY A 77 6.883 -17.885 -0.128 1.00 73.13 N ATOM 1229 CA GLY A 77 6.507 -19.181 0.455 1.00 51.13 C ATOM 1230 C GLY A 77 5.681 -19.027 1.728 1.00 4.51 C ATOM 1231 O GLY A 77 4.967 -19.957 2.127 1.00 44.21 O ATOM 0 H GLY A 77 6.118 -17.423 -0.620 1.00 73.13 H new ATOM 0 HA2 GLY A 77 5.938 -19.755 -0.277 1.00 51.13 H new ATOM 0 HA3 GLY A 77 7.409 -19.752 0.677 1.00 51.13 H new ATOM 1235 N SER A 78 5.770 -17.842 2.365 1.00 33.33 N ATOM 1236 CA SER A 78 5.001 -17.524 3.573 1.00 73.24 C ATOM 1237 C SER A 78 3.599 -17.050 3.167 1.00 41.13 C ATOM 1238 O SER A 78 3.471 -16.046 2.456 1.00 42.10 O ATOM 1239 CB SER A 78 5.706 -16.401 4.380 1.00 65.12 C ATOM 1240 OG SER A 78 7.062 -16.705 4.643 1.00 20.11 O ATOM 0 H SER A 78 6.377 -17.084 2.053 1.00 33.33 H new ATOM 0 HA SER A 78 4.930 -18.416 4.195 1.00 73.24 H new ATOM 0 HB2 SER A 78 5.646 -15.465 3.825 1.00 65.12 H new ATOM 0 HB3 SER A 78 5.180 -16.248 5.322 1.00 65.12 H new ATOM 0 HG SER A 78 7.379 -16.161 5.394 1.00 20.11 H new ATOM 1246 N ARG A 79 2.563 -17.782 3.604 1.00 54.04 N ATOM 1247 CA ARG A 79 1.154 -17.394 3.427 1.00 72.03 C ATOM 1248 C ARG A 79 0.375 -17.660 4.736 1.00 52.32 C ATOM 1249 O ARG A 79 0.622 -18.681 5.387 1.00 5.01 O ATOM 1250 CB ARG A 79 0.493 -18.107 2.208 1.00 35.40 C ATOM 1251 CG ARG A 79 0.913 -17.531 0.837 1.00 41.22 C ATOM 1252 CD ARG A 79 0.209 -18.205 -0.360 1.00 43.14 C ATOM 1253 NE ARG A 79 0.696 -17.689 -1.652 1.00 64.33 N ATOM 1254 CZ ARG A 79 0.669 -18.361 -2.818 1.00 33.34 C ATOM 1255 NH1 ARG A 79 0.184 -19.606 -2.892 1.00 71.53 N ATOM 1256 NH2 ARG A 79 1.146 -17.781 -3.912 1.00 11.32 N ATOM 0 H ARG A 79 2.680 -18.668 4.095 1.00 54.04 H new ATOM 0 HA ARG A 79 1.119 -16.327 3.206 1.00 72.03 H new ATOM 0 HB2 ARG A 79 0.748 -19.166 2.238 1.00 35.40 H new ATOM 0 HB3 ARG A 79 -0.591 -18.037 2.303 1.00 35.40 H new ATOM 0 HG2 ARG A 79 0.697 -16.463 0.820 1.00 41.22 H new ATOM 0 HG3 ARG A 79 1.991 -17.640 0.722 1.00 41.22 H new ATOM 0 HD2 ARG A 79 0.371 -19.282 -0.316 1.00 43.14 H new ATOM 0 HD3 ARG A 79 -0.866 -18.041 -0.287 1.00 43.14 H new ATOM 0 HE ARG A 79 1.085 -16.746 -1.663 1.00 64.33 H new ATOM 0 HH11 ARG A 79 -0.175 -20.064 -2.054 1.00 71.53 H new ATOM 0 HH12 ARG A 79 0.173 -20.097 -3.786 1.00 71.53 H new ATOM 0 HH21 ARG A 79 1.528 -16.836 -3.863 1.00 11.32 H new ATOM 0 HH22 ARG A 79 1.131 -18.280 -4.802 1.00 11.32 H new ATOM 1270 N PRO A 80 -0.585 -16.761 5.163 1.00 35.13 N ATOM 1271 CA PRO A 80 -1.052 -15.566 4.397 1.00 63.33 C ATOM 1272 C PRO A 80 0.007 -14.439 4.280 1.00 60.44 C ATOM 1273 O PRO A 80 0.355 -13.785 5.269 1.00 74.42 O ATOM 1274 CB PRO A 80 -2.288 -15.107 5.202 1.00 71.00 C ATOM 1275 CG PRO A 80 -2.021 -15.551 6.606 1.00 23.21 C ATOM 1276 CD PRO A 80 -1.287 -16.867 6.480 1.00 10.42 C ATOM 0 HA PRO A 80 -1.264 -15.809 3.356 1.00 63.33 H new ATOM 0 HB2 PRO A 80 -2.416 -14.026 5.147 1.00 71.00 H new ATOM 0 HB3 PRO A 80 -3.202 -15.556 4.813 1.00 71.00 H new ATOM 0 HG2 PRO A 80 -1.421 -14.816 7.143 1.00 23.21 H new ATOM 0 HG3 PRO A 80 -2.950 -15.671 7.163 1.00 23.21 H new ATOM 0 HD2 PRO A 80 -0.582 -17.011 7.298 1.00 10.42 H new ATOM 0 HD3 PRO A 80 -1.975 -17.712 6.499 1.00 10.42 H new ATOM 1284 N TRP A 81 0.528 -14.269 3.044 1.00 61.40 N ATOM 1285 CA TRP A 81 1.548 -13.267 2.716 1.00 31.24 C ATOM 1286 C TRP A 81 0.961 -11.868 2.922 1.00 51.53 C ATOM 1287 O TRP A 81 -0.003 -11.513 2.272 1.00 32.14 O ATOM 1288 CB TRP A 81 2.028 -13.457 1.238 1.00 33.12 C ATOM 1289 CG TRP A 81 3.138 -12.508 0.820 1.00 43.32 C ATOM 1290 CD1 TRP A 81 4.487 -12.723 0.889 1.00 25.13 C ATOM 1291 CD2 TRP A 81 2.981 -11.182 0.287 1.00 3.24 C ATOM 1292 NE1 TRP A 81 5.167 -11.617 0.444 1.00 72.12 N ATOM 1293 CE2 TRP A 81 4.265 -10.661 0.070 1.00 11.53 C ATOM 1294 CE3 TRP A 81 1.872 -10.387 -0.018 1.00 51.31 C ATOM 1295 CZ2 TRP A 81 4.469 -9.388 -0.433 1.00 35.51 C ATOM 1296 CZ3 TRP A 81 2.076 -9.128 -0.517 1.00 23.43 C ATOM 1297 CH2 TRP A 81 3.364 -8.637 -0.720 1.00 65.32 C ATOM 0 H TRP A 81 0.244 -14.833 2.243 1.00 61.40 H new ATOM 0 HA TRP A 81 2.411 -13.389 3.371 1.00 31.24 H new ATOM 0 HB2 TRP A 81 2.373 -14.483 1.108 1.00 33.12 H new ATOM 0 HB3 TRP A 81 1.177 -13.320 0.570 1.00 33.12 H new ATOM 0 HD1 TRP A 81 4.950 -13.632 1.243 1.00 25.13 H new ATOM 0 HE1 TRP A 81 6.182 -11.524 0.400 1.00 72.12 H new ATOM 0 HE3 TRP A 81 0.870 -10.760 0.137 1.00 51.31 H new ATOM 0 HZ2 TRP A 81 5.465 -9.002 -0.593 1.00 35.51 H new ATOM 0 HZ3 TRP A 81 1.226 -8.507 -0.757 1.00 23.43 H new ATOM 0 HH2 TRP A 81 3.492 -7.639 -1.113 1.00 65.32 H new ATOM 1308 N LYS A 82 1.525 -11.087 3.838 1.00 41.04 N ATOM 1309 CA LYS A 82 1.046 -9.727 4.103 1.00 22.34 C ATOM 1310 C LYS A 82 2.176 -8.714 3.919 1.00 21.44 C ATOM 1311 O LYS A 82 3.337 -9.006 4.203 1.00 21.23 O ATOM 1312 CB LYS A 82 0.460 -9.651 5.529 1.00 54.54 C ATOM 1313 CG LYS A 82 -0.260 -8.326 5.851 1.00 41.22 C ATOM 1314 CD LYS A 82 -0.837 -8.292 7.281 1.00 61.14 C ATOM 1315 CE LYS A 82 -1.919 -9.349 7.528 1.00 41.43 C ATOM 1316 NZ LYS A 82 -2.359 -9.352 8.945 1.00 21.44 N ATOM 0 H LYS A 82 2.318 -11.371 4.414 1.00 41.04 H new ATOM 0 HA LYS A 82 0.260 -9.480 3.390 1.00 22.34 H new ATOM 0 HB2 LYS A 82 -0.241 -10.474 5.665 1.00 54.54 H new ATOM 0 HB3 LYS A 82 1.266 -9.797 6.248 1.00 54.54 H new ATOM 0 HG2 LYS A 82 0.438 -7.499 5.726 1.00 41.22 H new ATOM 0 HG3 LYS A 82 -1.067 -8.173 5.135 1.00 41.22 H new ATOM 0 HD2 LYS A 82 -0.027 -8.439 7.995 1.00 61.14 H new ATOM 0 HD3 LYS A 82 -1.255 -7.304 7.472 1.00 61.14 H new ATOM 0 HE2 LYS A 82 -2.774 -9.155 6.880 1.00 41.43 H new ATOM 0 HE3 LYS A 82 -1.535 -10.334 7.263 1.00 41.43 H new ATOM 0 HZ1 LYS A 82 -3.091 -10.078 9.080 1.00 21.44 H new ATOM 0 HZ2 LYS A 82 -1.547 -9.561 9.560 1.00 21.44 H new ATOM 0 HZ3 LYS A 82 -2.748 -8.419 9.190 1.00 21.44 H new ATOM 1330 N ALA A 83 1.810 -7.507 3.476 1.00 71.40 N ATOM 1331 CA ALA A 83 2.723 -6.380 3.337 1.00 21.11 C ATOM 1332 C ALA A 83 2.015 -5.136 3.867 1.00 34.40 C ATOM 1333 O ALA A 83 0.872 -4.869 3.501 1.00 65.34 O ATOM 1334 CB ALA A 83 3.158 -6.184 1.875 1.00 54.02 C ATOM 0 H ALA A 83 0.853 -7.287 3.200 1.00 71.40 H new ATOM 0 HA ALA A 83 3.631 -6.570 3.908 1.00 21.11 H new ATOM 0 HB1 ALA A 83 3.838 -5.335 1.809 1.00 54.02 H new ATOM 0 HB2 ALA A 83 3.664 -7.083 1.522 1.00 54.02 H new ATOM 0 HB3 ALA A 83 2.281 -5.995 1.257 1.00 54.02 H new ATOM 1340 N TYR A 84 2.706 -4.394 4.725 1.00 1.14 N ATOM 1341 CA TYR A 84 2.253 -3.100 5.235 1.00 25.04 C ATOM 1342 C TYR A 84 3.053 -2.017 4.521 1.00 43.35 C ATOM 1343 O TYR A 84 4.281 -2.005 4.582 1.00 43.52 O ATOM 1344 CB TYR A 84 2.415 -3.020 6.775 1.00 34.42 C ATOM 1345 CG TYR A 84 1.310 -3.757 7.550 1.00 21.11 C ATOM 1346 CD1 TYR A 84 -0.022 -3.334 7.458 1.00 31.21 C ATOM 1347 CD2 TYR A 84 1.581 -4.851 8.369 1.00 23.30 C ATOM 1348 CE1 TYR A 84 -1.026 -3.972 8.150 1.00 70.43 C ATOM 1349 CE2 TYR A 84 0.574 -5.495 9.064 1.00 72.42 C ATOM 1350 CZ TYR A 84 -0.728 -5.050 8.951 1.00 4.32 C ATOM 1351 OH TYR A 84 -1.741 -5.699 9.630 1.00 73.41 O ATOM 0 H TYR A 84 3.614 -4.678 5.094 1.00 1.14 H new ATOM 0 HA TYR A 84 1.190 -2.961 5.036 1.00 25.04 H new ATOM 0 HB2 TYR A 84 3.382 -3.439 7.052 1.00 34.42 H new ATOM 0 HB3 TYR A 84 2.422 -1.973 7.077 1.00 34.42 H new ATOM 0 HD1 TYR A 84 -0.266 -2.489 6.831 1.00 31.21 H new ATOM 0 HD2 TYR A 84 2.598 -5.203 8.463 1.00 23.30 H new ATOM 0 HE1 TYR A 84 -2.046 -3.627 8.064 1.00 70.43 H new ATOM 0 HE2 TYR A 84 0.805 -6.342 9.692 1.00 72.42 H new ATOM 0 HH TYR A 84 -2.467 -5.913 9.008 1.00 73.41 H new ATOM 1361 N LEU A 85 2.348 -1.165 3.785 1.00 30.14 N ATOM 1362 CA LEU A 85 2.931 -0.114 2.943 1.00 62.50 C ATOM 1363 C LEU A 85 2.407 1.255 3.399 1.00 44.04 C ATOM 1364 O LEU A 85 1.312 1.341 3.954 1.00 24.00 O ATOM 1365 CB LEU A 85 2.545 -0.369 1.454 1.00 55.32 C ATOM 1366 CG LEU A 85 2.811 -1.809 0.901 1.00 64.44 C ATOM 1367 CD1 LEU A 85 2.384 -1.931 -0.579 1.00 13.25 C ATOM 1368 CD2 LEU A 85 4.283 -2.228 1.111 1.00 1.22 C ATOM 0 H LEU A 85 1.329 -1.182 3.753 1.00 30.14 H new ATOM 0 HA LEU A 85 4.017 -0.127 3.036 1.00 62.50 H new ATOM 0 HB2 LEU A 85 1.485 -0.148 1.334 1.00 55.32 H new ATOM 0 HB3 LEU A 85 3.091 0.341 0.833 1.00 55.32 H new ATOM 0 HG LEU A 85 2.194 -2.503 1.472 1.00 64.44 H new ATOM 0 HD11 LEU A 85 2.582 -2.943 -0.933 1.00 13.25 H new ATOM 0 HD12 LEU A 85 1.319 -1.717 -0.669 1.00 13.25 H new ATOM 0 HD13 LEU A 85 2.949 -1.219 -1.181 1.00 13.25 H new ATOM 0 HD21 LEU A 85 4.435 -3.233 0.716 1.00 1.22 H new ATOM 0 HD22 LEU A 85 4.938 -1.530 0.589 1.00 1.22 H new ATOM 0 HD23 LEU A 85 4.516 -2.217 2.176 1.00 1.22 H new ATOM 1380 N SER A 86 3.191 2.311 3.175 1.00 65.01 N ATOM 1381 CA SER A 86 2.781 3.691 3.482 1.00 5.23 C ATOM 1382 C SER A 86 3.483 4.660 2.530 1.00 63.24 C ATOM 1383 O SER A 86 4.504 4.314 1.948 1.00 33.13 O ATOM 1384 CB SER A 86 3.102 4.049 4.954 1.00 33.24 C ATOM 1385 OG SER A 86 2.560 5.314 5.311 1.00 11.33 O ATOM 0 H SER A 86 4.127 2.239 2.777 1.00 65.01 H new ATOM 0 HA SER A 86 1.703 3.774 3.346 1.00 5.23 H new ATOM 0 HB2 SER A 86 2.699 3.280 5.613 1.00 33.24 H new ATOM 0 HB3 SER A 86 4.182 4.060 5.100 1.00 33.24 H new ATOM 0 HG SER A 86 1.768 5.497 4.763 1.00 11.33 H new ATOM 1391 N ALA A 87 2.916 5.861 2.368 1.00 72.15 N ATOM 1392 CA ALA A 87 3.496 6.920 1.530 1.00 22.52 C ATOM 1393 C ALA A 87 2.961 8.288 1.953 1.00 41.42 C ATOM 1394 O ALA A 87 2.006 8.379 2.734 1.00 13.32 O ATOM 1395 CB ALA A 87 3.187 6.666 0.044 1.00 12.22 C ATOM 0 H ALA A 87 2.039 6.128 2.815 1.00 72.15 H new ATOM 0 HA ALA A 87 4.577 6.909 1.666 1.00 22.52 H new ATOM 0 HB1 ALA A 87 3.625 7.461 -0.560 1.00 12.22 H new ATOM 0 HB2 ALA A 87 3.609 5.707 -0.257 1.00 12.22 H new ATOM 0 HB3 ALA A 87 2.107 6.650 -0.106 1.00 12.22 H new ATOM 1401 N GLN A 88 3.584 9.343 1.414 1.00 60.43 N ATOM 1402 CA GLN A 88 3.127 10.722 1.578 1.00 60.21 C ATOM 1403 C GLN A 88 3.616 11.540 0.383 1.00 10.43 C ATOM 1404 O GLN A 88 4.787 11.428 -0.010 1.00 3.25 O ATOM 1405 CB GLN A 88 3.616 11.341 2.913 1.00 40.54 C ATOM 1406 CG GLN A 88 2.988 12.714 3.228 1.00 51.42 C ATOM 1407 CD GLN A 88 3.402 13.269 4.588 1.00 1.24 C ATOM 1408 OE1 GLN A 88 2.773 12.982 5.600 1.00 62.25 O ATOM 1409 NE2 GLN A 88 4.442 14.078 4.623 1.00 31.33 N ATOM 0 H GLN A 88 4.428 9.259 0.847 1.00 60.43 H new ATOM 0 HA GLN A 88 2.038 10.732 1.616 1.00 60.21 H new ATOM 0 HB2 GLN A 88 3.389 10.652 3.727 1.00 40.54 H new ATOM 0 HB3 GLN A 88 4.700 11.447 2.878 1.00 40.54 H new ATOM 0 HG2 GLN A 88 3.274 13.423 2.451 1.00 51.42 H new ATOM 0 HG3 GLN A 88 1.902 12.625 3.195 1.00 51.42 H new ATOM 0 HE21 GLN A 88 4.946 14.298 3.764 1.00 31.33 H new ATOM 0 HE22 GLN A 88 4.743 14.484 5.509 1.00 31.33 H new ATOM 1418 N ASP A 89 2.723 12.359 -0.192 1.00 53.41 N ATOM 1419 CA ASP A 89 3.040 13.162 -1.380 1.00 11.33 C ATOM 1420 C ASP A 89 3.468 14.580 -0.925 1.00 75.40 C ATOM 1421 O ASP A 89 3.474 14.866 0.278 1.00 63.54 O ATOM 1422 CB ASP A 89 1.821 13.173 -2.362 1.00 44.40 C ATOM 1423 CG ASP A 89 0.864 14.358 -2.208 1.00 71.53 C ATOM 1424 OD1 ASP A 89 0.208 14.477 -1.156 1.00 42.42 O ATOM 1425 OD2 ASP A 89 0.811 15.207 -3.130 1.00 32.21 O ATOM 0 H ASP A 89 1.770 12.482 0.150 1.00 53.41 H new ATOM 0 HA ASP A 89 3.873 12.727 -1.931 1.00 11.33 H new ATOM 0 HB2 ASP A 89 2.200 13.164 -3.384 1.00 44.40 H new ATOM 0 HB3 ASP A 89 1.256 12.251 -2.223 1.00 44.40 H new ATOM 1430 N ASP A 90 3.807 15.452 -1.892 1.00 73.23 N ATOM 1431 CA ASP A 90 4.323 16.815 -1.617 1.00 4.11 C ATOM 1432 C ASP A 90 3.283 17.699 -0.888 1.00 54.15 C ATOM 1433 O ASP A 90 3.648 18.567 -0.082 1.00 53.22 O ATOM 1434 CB ASP A 90 4.743 17.474 -2.952 1.00 33.41 C ATOM 1435 CG ASP A 90 5.321 18.893 -2.792 1.00 12.02 C ATOM 1436 OD1 ASP A 90 6.506 19.026 -2.402 1.00 34.13 O ATOM 1437 OD2 ASP A 90 4.599 19.883 -3.057 1.00 41.32 O ATOM 0 H ASP A 90 3.733 15.237 -2.886 1.00 73.23 H new ATOM 0 HA ASP A 90 5.183 16.725 -0.954 1.00 4.11 H new ATOM 0 HB2 ASP A 90 5.485 16.843 -3.440 1.00 33.41 H new ATOM 0 HB3 ASP A 90 3.877 17.517 -3.613 1.00 33.41 H new ATOM 1442 N THR A 91 1.991 17.433 -1.131 1.00 42.41 N ATOM 1443 CA THR A 91 0.894 18.245 -0.566 1.00 44.33 C ATOM 1444 C THR A 91 0.478 17.717 0.823 1.00 11.52 C ATOM 1445 O THR A 91 -0.396 18.303 1.485 1.00 13.22 O ATOM 1446 CB THR A 91 -0.330 18.322 -1.535 1.00 75.12 C ATOM 1447 OG1 THR A 91 -1.010 17.070 -1.616 1.00 53.25 O ATOM 1448 CG2 THR A 91 0.107 18.742 -2.947 1.00 2.12 C ATOM 0 H THR A 91 1.676 16.660 -1.717 1.00 42.41 H new ATOM 0 HA THR A 91 1.268 19.261 -0.443 1.00 44.33 H new ATOM 0 HB THR A 91 -1.008 19.072 -1.127 1.00 75.12 H new ATOM 0 HG1 THR A 91 -0.419 16.356 -1.297 1.00 53.25 H new ATOM 0 HG21 THR A 91 -0.765 18.787 -3.599 1.00 2.12 H new ATOM 0 HG22 THR A 91 0.580 19.723 -2.905 1.00 2.12 H new ATOM 0 HG23 THR A 91 0.817 18.014 -3.340 1.00 2.12 H new ATOM 1456 N GLY A 92 1.120 16.606 1.250 1.00 70.31 N ATOM 1457 CA GLY A 92 1.023 16.108 2.622 1.00 43.35 C ATOM 1458 C GLY A 92 -0.060 15.060 2.837 1.00 22.34 C ATOM 1459 O GLY A 92 -0.407 14.775 3.995 1.00 32.30 O ATOM 0 H GLY A 92 1.716 16.038 0.648 1.00 70.31 H new ATOM 0 HA2 GLY A 92 1.985 15.683 2.910 1.00 43.35 H new ATOM 0 HA3 GLY A 92 0.834 16.950 3.288 1.00 43.35 H new ATOM 1463 N CYS A 93 -0.594 14.474 1.745 1.00 65.13 N ATOM 1464 CA CYS A 93 -1.606 13.411 1.852 1.00 1.24 C ATOM 1465 C CYS A 93 -0.920 12.090 2.248 1.00 41.10 C ATOM 1466 O CYS A 93 -0.042 11.596 1.530 1.00 34.41 O ATOM 1467 CB CYS A 93 -2.406 13.258 0.533 1.00 11.05 C ATOM 1468 SG CYS A 93 -3.875 12.212 0.688 1.00 41.43 S ATOM 0 H CYS A 93 -0.341 14.719 0.788 1.00 65.13 H new ATOM 0 HA CYS A 93 -2.323 13.683 2.627 1.00 1.24 H new ATOM 0 HB2 CYS A 93 -2.710 14.246 0.186 1.00 11.05 H new ATOM 0 HB3 CYS A 93 -1.752 12.839 -0.231 1.00 11.05 H new ATOM 0 HG CYS A 93 -3.658 11.070 0.106 1.00 41.43 H new ATOM 1474 N LEU A 94 -1.326 11.541 3.409 1.00 22.22 N ATOM 1475 CA LEU A 94 -0.730 10.327 4.002 1.00 31.13 C ATOM 1476 C LEU A 94 -1.565 9.102 3.585 1.00 10.00 C ATOM 1477 O LEU A 94 -2.746 9.049 3.896 1.00 61.02 O ATOM 1478 CB LEU A 94 -0.691 10.473 5.568 1.00 23.34 C ATOM 1479 CG LEU A 94 0.360 9.614 6.367 1.00 5.24 C ATOM 1480 CD1 LEU A 94 0.057 8.102 6.341 1.00 74.23 C ATOM 1481 CD2 LEU A 94 1.795 9.898 5.877 1.00 14.03 C ATOM 0 H LEU A 94 -2.085 11.931 3.968 1.00 22.22 H new ATOM 0 HA LEU A 94 0.291 10.195 3.644 1.00 31.13 H new ATOM 0 HB2 LEU A 94 -0.510 11.522 5.801 1.00 23.34 H new ATOM 0 HB3 LEU A 94 -1.682 10.228 5.951 1.00 23.34 H new ATOM 0 HG LEU A 94 0.278 9.924 7.409 1.00 5.24 H new ATOM 0 HD11 LEU A 94 0.819 7.568 6.910 1.00 74.23 H new ATOM 0 HD12 LEU A 94 -0.922 7.919 6.785 1.00 74.23 H new ATOM 0 HD13 LEU A 94 0.060 7.748 5.310 1.00 74.23 H new ATOM 0 HD21 LEU A 94 2.500 9.292 6.446 1.00 14.03 H new ATOM 0 HD22 LEU A 94 1.874 9.650 4.819 1.00 14.03 H new ATOM 0 HD23 LEU A 94 2.026 10.954 6.020 1.00 14.03 H new ATOM 1493 N PHE A 95 -0.937 8.125 2.905 1.00 61.55 N ATOM 1494 CA PHE A 95 -1.600 6.881 2.449 1.00 70.51 C ATOM 1495 C PHE A 95 -1.059 5.673 3.219 1.00 71.04 C ATOM 1496 O PHE A 95 0.146 5.564 3.450 1.00 41.04 O ATOM 1497 CB PHE A 95 -1.368 6.672 0.935 1.00 71.13 C ATOM 1498 CG PHE A 95 -1.978 7.768 0.075 1.00 3.34 C ATOM 1499 CD1 PHE A 95 -1.260 8.920 -0.223 1.00 53.13 C ATOM 1500 CD2 PHE A 95 -3.279 7.648 -0.422 1.00 24.33 C ATOM 1501 CE1 PHE A 95 -1.816 9.913 -0.987 1.00 25.11 C ATOM 1502 CE2 PHE A 95 -3.834 8.651 -1.189 1.00 53.10 C ATOM 1503 CZ PHE A 95 -3.103 9.780 -1.471 1.00 33.45 C ATOM 0 H PHE A 95 0.050 8.173 2.653 1.00 61.55 H new ATOM 0 HA PHE A 95 -2.669 6.976 2.639 1.00 70.51 H new ATOM 0 HB2 PHE A 95 -0.296 6.623 0.742 1.00 71.13 H new ATOM 0 HB3 PHE A 95 -1.789 5.711 0.639 1.00 71.13 H new ATOM 0 HD1 PHE A 95 -0.253 9.034 0.151 1.00 53.13 H new ATOM 0 HD2 PHE A 95 -3.855 6.761 -0.203 1.00 24.33 H new ATOM 0 HE1 PHE A 95 -1.246 10.802 -1.211 1.00 25.11 H new ATOM 0 HE2 PHE A 95 -4.841 8.549 -1.567 1.00 53.10 H new ATOM 0 HZ PHE A 95 -3.536 10.565 -2.073 1.00 33.45 H new ATOM 1513 N LEU A 96 -1.971 4.792 3.637 1.00 13.43 N ATOM 1514 CA LEU A 96 -1.652 3.512 4.289 1.00 63.12 C ATOM 1515 C LEU A 96 -2.272 2.372 3.461 1.00 73.44 C ATOM 1516 O LEU A 96 -3.452 2.439 3.111 1.00 42.34 O ATOM 1517 CB LEU A 96 -2.267 3.514 5.706 1.00 73.40 C ATOM 1518 CG LEU A 96 -1.927 4.732 6.613 1.00 54.03 C ATOM 1519 CD1 LEU A 96 -2.925 4.843 7.771 1.00 55.14 C ATOM 1520 CD2 LEU A 96 -0.478 4.675 7.129 1.00 42.51 C ATOM 0 H LEU A 96 -2.973 4.948 3.531 1.00 13.43 H new ATOM 0 HA LEU A 96 -0.573 3.374 4.356 1.00 63.12 H new ATOM 0 HB2 LEU A 96 -3.351 3.456 5.607 1.00 73.40 H new ATOM 0 HB3 LEU A 96 -1.945 2.608 6.218 1.00 73.40 H new ATOM 0 HG LEU A 96 -2.013 5.631 6.002 1.00 54.03 H new ATOM 0 HD11 LEU A 96 -2.668 5.701 8.392 1.00 55.14 H new ATOM 0 HD12 LEU A 96 -3.931 4.972 7.373 1.00 55.14 H new ATOM 0 HD13 LEU A 96 -2.886 3.935 8.373 1.00 55.14 H new ATOM 0 HD21 LEU A 96 -0.281 5.543 7.758 1.00 42.51 H new ATOM 0 HD22 LEU A 96 -0.335 3.765 7.711 1.00 42.51 H new ATOM 0 HD23 LEU A 96 0.210 4.676 6.283 1.00 42.51 H new ATOM 1532 N THR A 97 -1.482 1.350 3.126 1.00 54.31 N ATOM 1533 CA THR A 97 -1.951 0.183 2.355 1.00 11.01 C ATOM 1534 C THR A 97 -1.544 -1.146 3.028 1.00 33.44 C ATOM 1535 O THR A 97 -0.565 -1.203 3.769 1.00 35.22 O ATOM 1536 CB THR A 97 -1.402 0.247 0.887 1.00 64.12 C ATOM 1537 OG1 THR A 97 -1.730 1.521 0.320 1.00 3.05 O ATOM 1538 CG2 THR A 97 -1.975 -0.861 -0.022 1.00 65.42 C ATOM 0 H THR A 97 -0.495 1.302 3.380 1.00 54.31 H new ATOM 0 HA THR A 97 -3.040 0.217 2.329 1.00 11.01 H new ATOM 0 HB THR A 97 -0.324 0.099 0.942 1.00 64.12 H new ATOM 0 HG1 THR A 97 -1.008 2.157 0.505 1.00 3.05 H new ATOM 0 HG21 THR A 97 -1.557 -0.762 -1.024 1.00 65.42 H new ATOM 0 HG22 THR A 97 -1.714 -1.837 0.386 1.00 65.42 H new ATOM 0 HG23 THR A 97 -3.060 -0.767 -0.071 1.00 65.42 H new ATOM 1546 N GLU A 98 -2.366 -2.189 2.806 1.00 73.50 N ATOM 1547 CA GLU A 98 -2.020 -3.589 3.104 1.00 61.34 C ATOM 1548 C GLU A 98 -2.290 -4.455 1.856 1.00 40.32 C ATOM 1549 O GLU A 98 -3.299 -4.260 1.180 1.00 33.44 O ATOM 1550 CB GLU A 98 -2.839 -4.134 4.301 1.00 41.54 C ATOM 1551 CG GLU A 98 -2.450 -5.571 4.729 1.00 53.11 C ATOM 1552 CD GLU A 98 -3.419 -6.205 5.748 1.00 53.32 C ATOM 1553 OE1 GLU A 98 -3.381 -5.832 6.936 1.00 20.43 O ATOM 1554 OE2 GLU A 98 -4.209 -7.096 5.364 1.00 10.22 O ATOM 0 H GLU A 98 -3.300 -2.080 2.410 1.00 73.50 H new ATOM 0 HA GLU A 98 -0.964 -3.631 3.372 1.00 61.34 H new ATOM 0 HB2 GLU A 98 -2.709 -3.465 5.152 1.00 41.54 H new ATOM 0 HB3 GLU A 98 -3.897 -4.117 4.041 1.00 41.54 H new ATOM 0 HG2 GLU A 98 -2.406 -6.204 3.843 1.00 53.11 H new ATOM 0 HG3 GLU A 98 -1.448 -5.553 5.158 1.00 53.11 H new ATOM 1561 N LEU A 99 -1.369 -5.383 1.555 1.00 14.13 N ATOM 1562 CA LEU A 99 -1.531 -6.405 0.499 1.00 33.00 C ATOM 1563 C LEU A 99 -1.495 -7.785 1.178 1.00 51.34 C ATOM 1564 O LEU A 99 -0.533 -8.083 1.881 1.00 22.13 O ATOM 1565 CB LEU A 99 -0.390 -6.287 -0.557 1.00 11.24 C ATOM 1566 CG LEU A 99 -0.300 -4.939 -1.343 1.00 1.04 C ATOM 1567 CD1 LEU A 99 0.879 -4.955 -2.335 1.00 0.21 C ATOM 1568 CD2 LEU A 99 -1.620 -4.606 -2.063 1.00 52.23 C ATOM 0 H LEU A 99 -0.476 -5.449 2.043 1.00 14.13 H new ATOM 0 HA LEU A 99 -2.477 -6.263 -0.024 1.00 33.00 H new ATOM 0 HB2 LEU A 99 0.561 -6.450 -0.050 1.00 11.24 H new ATOM 0 HB3 LEU A 99 -0.509 -7.095 -1.279 1.00 11.24 H new ATOM 0 HG LEU A 99 -0.120 -4.150 -0.612 1.00 1.04 H new ATOM 0 HD11 LEU A 99 0.919 -4.005 -2.869 1.00 0.21 H new ATOM 0 HD12 LEU A 99 1.811 -5.104 -1.790 1.00 0.21 H new ATOM 0 HD13 LEU A 99 0.743 -5.767 -3.049 1.00 0.21 H new ATOM 0 HD21 LEU A 99 -1.515 -3.662 -2.597 1.00 52.23 H new ATOM 0 HD22 LEU A 99 -1.858 -5.399 -2.772 1.00 52.23 H new ATOM 0 HD23 LEU A 99 -2.423 -4.521 -1.330 1.00 52.23 H new ATOM 1580 N LEU A 100 -2.534 -8.613 0.973 1.00 50.34 N ATOM 1581 CA LEU A 100 -2.703 -9.883 1.708 1.00 10.24 C ATOM 1582 C LEU A 100 -3.093 -11.038 0.753 1.00 50.24 C ATOM 1583 O LEU A 100 -4.194 -11.060 0.230 1.00 70.11 O ATOM 1584 CB LEU A 100 -3.760 -9.680 2.837 1.00 51.31 C ATOM 1585 CG LEU A 100 -4.055 -10.908 3.765 1.00 70.02 C ATOM 1586 CD1 LEU A 100 -2.771 -11.434 4.434 1.00 34.11 C ATOM 1587 CD2 LEU A 100 -5.134 -10.556 4.819 1.00 5.13 C ATOM 0 H LEU A 100 -3.276 -8.425 0.299 1.00 50.34 H new ATOM 0 HA LEU A 100 -1.754 -10.167 2.163 1.00 10.24 H new ATOM 0 HB2 LEU A 100 -3.430 -8.852 3.465 1.00 51.31 H new ATOM 0 HB3 LEU A 100 -4.697 -9.374 2.372 1.00 51.31 H new ATOM 0 HG LEU A 100 -4.445 -11.710 3.139 1.00 70.02 H new ATOM 0 HD11 LEU A 100 -3.014 -12.285 5.070 1.00 34.11 H new ATOM 0 HD12 LEU A 100 -2.062 -11.745 3.667 1.00 34.11 H new ATOM 0 HD13 LEU A 100 -2.327 -10.644 5.040 1.00 34.11 H new ATOM 0 HD21 LEU A 100 -5.322 -11.424 5.451 1.00 5.13 H new ATOM 0 HD22 LEU A 100 -4.784 -9.727 5.435 1.00 5.13 H new ATOM 0 HD23 LEU A 100 -6.056 -10.269 4.314 1.00 5.13 H new ATOM 1599 N LEU A 101 -2.192 -12.021 0.588 1.00 54.23 N ATOM 1600 CA LEU A 101 -2.360 -13.152 -0.339 1.00 53.32 C ATOM 1601 C LEU A 101 -2.571 -14.416 0.502 1.00 34.44 C ATOM 1602 O LEU A 101 -1.669 -14.834 1.241 1.00 75.54 O ATOM 1603 CB LEU A 101 -1.113 -13.299 -1.258 1.00 53.12 C ATOM 1604 CG LEU A 101 -1.154 -14.446 -2.329 1.00 4.32 C ATOM 1605 CD1 LEU A 101 -2.348 -14.285 -3.292 1.00 54.15 C ATOM 1606 CD2 LEU A 101 0.181 -14.525 -3.104 1.00 3.43 C ATOM 0 H LEU A 101 -1.312 -12.052 1.104 1.00 54.23 H new ATOM 0 HA LEU A 101 -3.219 -12.985 -0.988 1.00 53.32 H new ATOM 0 HB2 LEU A 101 -0.961 -12.353 -1.779 1.00 53.12 H new ATOM 0 HB3 LEU A 101 -0.241 -13.457 -0.624 1.00 53.12 H new ATOM 0 HG LEU A 101 -1.293 -15.387 -1.797 1.00 4.32 H new ATOM 0 HD11 LEU A 101 -2.342 -15.098 -4.018 1.00 54.15 H new ATOM 0 HD12 LEU A 101 -3.279 -14.312 -2.725 1.00 54.15 H new ATOM 0 HD13 LEU A 101 -2.268 -13.331 -3.814 1.00 54.15 H new ATOM 0 HD21 LEU A 101 0.128 -15.327 -3.840 1.00 3.43 H new ATOM 0 HD22 LEU A 101 0.363 -13.578 -3.612 1.00 3.43 H new ATOM 0 HD23 LEU A 101 0.995 -14.726 -2.407 1.00 3.43 H new ATOM 1618 N GLU A 102 -3.766 -15.002 0.391 1.00 13.13 N ATOM 1619 CA GLU A 102 -4.214 -16.115 1.251 1.00 2.51 C ATOM 1620 C GLU A 102 -3.512 -17.457 0.878 1.00 0.51 C ATOM 1621 O GLU A 102 -3.057 -17.603 -0.257 1.00 12.44 O ATOM 1622 CB GLU A 102 -5.754 -16.228 1.136 1.00 63.24 C ATOM 1623 CG GLU A 102 -6.505 -14.917 1.452 1.00 2.33 C ATOM 1624 CD GLU A 102 -8.036 -15.060 1.385 1.00 1.12 C ATOM 1625 OE1 GLU A 102 -8.644 -15.519 2.385 1.00 13.24 O ATOM 1626 OE2 GLU A 102 -8.641 -14.729 0.344 1.00 21.22 O ATOM 0 H GLU A 102 -4.459 -14.720 -0.302 1.00 13.13 H new ATOM 0 HA GLU A 102 -3.936 -15.908 2.284 1.00 2.51 H new ATOM 0 HB2 GLU A 102 -6.010 -16.547 0.126 1.00 63.24 H new ATOM 0 HB3 GLU A 102 -6.103 -17.007 1.814 1.00 63.24 H new ATOM 0 HG2 GLU A 102 -6.222 -14.576 2.448 1.00 2.33 H new ATOM 0 HG3 GLU A 102 -6.188 -14.147 0.749 1.00 2.33 H new ATOM 1633 N PRO A 103 -3.385 -18.445 1.840 1.00 74.05 N ATOM 1634 CA PRO A 103 -2.711 -19.755 1.578 1.00 22.31 C ATOM 1635 C PRO A 103 -3.411 -20.606 0.493 1.00 35.43 C ATOM 1636 O PRO A 103 -2.835 -20.864 -0.573 1.00 42.42 O ATOM 1637 CB PRO A 103 -2.723 -20.461 2.967 1.00 41.03 C ATOM 1638 CG PRO A 103 -2.970 -19.363 3.959 1.00 4.30 C ATOM 1639 CD PRO A 103 -3.855 -18.365 3.250 1.00 51.45 C ATOM 0 HA PRO A 103 -1.708 -19.614 1.176 1.00 22.31 H new ATOM 0 HB2 PRO A 103 -3.503 -21.221 3.017 1.00 41.03 H new ATOM 0 HB3 PRO A 103 -1.776 -20.964 3.162 1.00 41.03 H new ATOM 0 HG2 PRO A 103 -3.454 -19.748 4.857 1.00 4.30 H new ATOM 0 HG3 PRO A 103 -2.034 -18.902 4.274 1.00 4.30 H new ATOM 0 HD2 PRO A 103 -4.910 -18.625 3.339 1.00 51.45 H new ATOM 0 HD3 PRO A 103 -3.739 -17.361 3.658 1.00 51.45 H new ATOM 1647 N GLY A 104 -4.658 -21.026 0.776 1.00 55.13 N ATOM 1648 CA GLY A 104 -5.438 -21.859 -0.146 1.00 21.11 C ATOM 1649 C GLY A 104 -6.089 -21.042 -1.252 1.00 62.01 C ATOM 1650 O GLY A 104 -6.170 -21.488 -2.406 1.00 74.05 O ATOM 0 H GLY A 104 -5.146 -20.798 1.642 1.00 55.13 H new ATOM 0 HA2 GLY A 104 -4.788 -22.613 -0.589 1.00 21.11 H new ATOM 0 HA3 GLY A 104 -6.209 -22.391 0.412 1.00 21.11 H new ATOM 1654 N ASN A 105 -6.535 -19.828 -0.894 1.00 32.33 N ATOM 1655 CA ASN A 105 -7.199 -18.905 -1.823 1.00 10.43 C ATOM 1656 C ASN A 105 -6.152 -18.107 -2.593 1.00 33.41 C ATOM 1657 O ASN A 105 -5.237 -17.519 -2.008 1.00 25.22 O ATOM 1658 CB ASN A 105 -8.160 -17.945 -1.074 1.00 51.14 C ATOM 1659 CG ASN A 105 -9.430 -18.617 -0.557 1.00 53.33 C ATOM 1660 OD1 ASN A 105 -9.940 -19.570 -1.160 1.00 51.23 O ATOM 1661 ND2 ASN A 105 -9.963 -18.132 0.557 1.00 31.51 N ATOM 0 H ASN A 105 -6.444 -19.459 0.053 1.00 32.33 H new ATOM 0 HA ASN A 105 -7.794 -19.493 -2.522 1.00 10.43 H new ATOM 0 HB2 ASN A 105 -7.629 -17.499 -0.233 1.00 51.14 H new ATOM 0 HB3 ASN A 105 -8.438 -17.131 -1.743 1.00 51.14 H new ATOM 0 HD21 ASN A 105 -10.814 -18.546 0.937 1.00 31.51 H new ATOM 0 HD22 ASN A 105 -9.521 -17.346 1.033 1.00 31.51 H new ATOM 1668 N SER A 106 -6.316 -18.077 -3.907 1.00 50.24 N ATOM 1669 CA SER A 106 -5.451 -17.357 -4.834 1.00 70.34 C ATOM 1670 C SER A 106 -5.952 -15.902 -4.981 1.00 44.32 C ATOM 1671 O SER A 106 -6.085 -15.385 -6.091 1.00 55.23 O ATOM 1672 CB SER A 106 -5.458 -18.145 -6.176 1.00 43.40 C ATOM 1673 OG SER A 106 -6.786 -18.441 -6.605 1.00 70.32 O ATOM 0 H SER A 106 -7.078 -18.568 -4.374 1.00 50.24 H new ATOM 0 HA SER A 106 -4.424 -17.291 -4.476 1.00 70.34 H new ATOM 0 HB2 SER A 106 -4.949 -17.562 -6.943 1.00 43.40 H new ATOM 0 HB3 SER A 106 -4.898 -19.073 -6.057 1.00 43.40 H new ATOM 0 HG SER A 106 -7.412 -17.811 -6.190 1.00 70.32 H new ATOM 1679 N GLU A 107 -6.242 -15.244 -3.840 1.00 41.22 N ATOM 1680 CA GLU A 107 -6.816 -13.882 -3.805 1.00 74.32 C ATOM 1681 C GLU A 107 -5.914 -12.936 -2.991 1.00 1.13 C ATOM 1682 O GLU A 107 -5.385 -13.311 -1.937 1.00 61.30 O ATOM 1683 CB GLU A 107 -8.268 -13.878 -3.218 1.00 1.50 C ATOM 1684 CG GLU A 107 -9.388 -14.392 -4.173 1.00 71.52 C ATOM 1685 CD GLU A 107 -9.526 -15.929 -4.258 1.00 11.11 C ATOM 1686 OE1 GLU A 107 -10.188 -16.527 -3.382 1.00 72.55 O ATOM 1687 OE2 GLU A 107 -9.012 -16.550 -5.216 1.00 12.50 O ATOM 0 H GLU A 107 -6.085 -15.643 -2.914 1.00 41.22 H new ATOM 0 HA GLU A 107 -6.871 -13.526 -4.834 1.00 74.32 H new ATOM 0 HB2 GLU A 107 -8.277 -14.490 -2.316 1.00 1.50 H new ATOM 0 HB3 GLU A 107 -8.514 -12.860 -2.915 1.00 1.50 H new ATOM 0 HG2 GLU A 107 -10.341 -13.975 -3.847 1.00 71.52 H new ATOM 0 HG3 GLU A 107 -9.196 -14.005 -5.174 1.00 71.52 H new ATOM 1694 N MET A 108 -5.759 -11.709 -3.511 1.00 65.23 N ATOM 1695 CA MET A 108 -5.004 -10.608 -2.893 1.00 71.03 C ATOM 1696 C MET A 108 -6.003 -9.553 -2.377 1.00 62.14 C ATOM 1697 O MET A 108 -6.742 -8.972 -3.160 1.00 70.55 O ATOM 1698 CB MET A 108 -4.043 -9.974 -3.945 1.00 50.35 C ATOM 1699 CG MET A 108 -3.385 -8.644 -3.518 1.00 23.03 C ATOM 1700 SD MET A 108 -2.399 -8.784 -2.019 1.00 62.20 S ATOM 1701 CE MET A 108 -1.054 -9.825 -2.566 1.00 61.43 C ATOM 0 H MET A 108 -6.171 -11.446 -4.406 1.00 65.23 H new ATOM 0 HA MET A 108 -4.408 -10.983 -2.061 1.00 71.03 H new ATOM 0 HB2 MET A 108 -3.256 -10.693 -4.174 1.00 50.35 H new ATOM 0 HB3 MET A 108 -4.600 -9.806 -4.867 1.00 50.35 H new ATOM 0 HG2 MET A 108 -2.751 -8.284 -4.329 1.00 23.03 H new ATOM 0 HG3 MET A 108 -4.162 -7.895 -3.364 1.00 23.03 H new ATOM 0 HE1 MET A 108 -0.404 -10.053 -1.721 1.00 61.43 H new ATOM 0 HE2 MET A 108 -1.455 -10.752 -2.976 1.00 61.43 H new ATOM 0 HE3 MET A 108 -0.482 -9.306 -3.335 1.00 61.43 H new ATOM 1711 N GLN A 109 -6.011 -9.315 -1.063 1.00 32.50 N ATOM 1712 CA GLN A 109 -6.886 -8.338 -0.404 1.00 21.53 C ATOM 1713 C GLN A 109 -6.077 -7.060 -0.189 1.00 63.54 C ATOM 1714 O GLN A 109 -4.968 -7.117 0.351 1.00 13.24 O ATOM 1715 CB GLN A 109 -7.375 -8.906 0.957 1.00 55.43 C ATOM 1716 CG GLN A 109 -8.142 -10.238 0.852 1.00 2.44 C ATOM 1717 CD GLN A 109 -8.416 -10.872 2.214 1.00 15.23 C ATOM 1718 OE1 GLN A 109 -7.621 -11.664 2.706 1.00 62.04 O ATOM 1719 NE2 GLN A 109 -9.525 -10.514 2.848 1.00 51.42 N ATOM 0 H GLN A 109 -5.397 -9.806 -0.413 1.00 32.50 H new ATOM 0 HA GLN A 109 -7.762 -8.128 -1.017 1.00 21.53 H new ATOM 0 HB2 GLN A 109 -6.513 -9.048 1.609 1.00 55.43 H new ATOM 0 HB3 GLN A 109 -8.018 -8.167 1.435 1.00 55.43 H new ATOM 0 HG2 GLN A 109 -9.088 -10.068 0.339 1.00 2.44 H new ATOM 0 HG3 GLN A 109 -7.569 -10.935 0.241 1.00 2.44 H new ATOM 0 HE21 GLN A 109 -10.169 -9.853 2.415 1.00 51.42 H new ATOM 0 HE22 GLN A 109 -9.733 -10.900 3.769 1.00 51.42 H new ATOM 1728 N ILE A 110 -6.612 -5.922 -0.634 1.00 50.43 N ATOM 1729 CA ILE A 110 -5.917 -4.624 -0.591 1.00 45.02 C ATOM 1730 C ILE A 110 -6.722 -3.646 0.284 1.00 63.53 C ATOM 1731 O ILE A 110 -7.850 -3.330 -0.072 1.00 62.12 O ATOM 1732 CB ILE A 110 -5.777 -4.029 -2.046 1.00 14.23 C ATOM 1733 CG1 ILE A 110 -5.178 -5.093 -3.026 1.00 13.30 C ATOM 1734 CG2 ILE A 110 -4.938 -2.727 -2.038 1.00 33.13 C ATOM 1735 CD1 ILE A 110 -5.252 -4.722 -4.491 1.00 12.23 C ATOM 0 H ILE A 110 -7.547 -5.869 -1.038 1.00 50.43 H new ATOM 0 HA ILE A 110 -4.922 -4.768 -0.171 1.00 45.02 H new ATOM 0 HB ILE A 110 -6.773 -3.771 -2.405 1.00 14.23 H new ATOM 0 HG12 ILE A 110 -4.134 -5.263 -2.761 1.00 13.30 H new ATOM 0 HG13 ILE A 110 -5.702 -6.037 -2.878 1.00 13.30 H new ATOM 0 HG21 ILE A 110 -4.858 -2.339 -3.054 1.00 33.13 H new ATOM 0 HG22 ILE A 110 -5.423 -1.985 -1.404 1.00 33.13 H new ATOM 0 HG23 ILE A 110 -3.941 -2.939 -1.651 1.00 33.13 H new ATOM 0 HD11 ILE A 110 -4.813 -5.519 -5.091 1.00 12.23 H new ATOM 0 HD12 ILE A 110 -6.294 -4.583 -4.779 1.00 12.23 H new ATOM 0 HD13 ILE A 110 -4.702 -3.796 -4.660 1.00 12.23 H new ATOM 1747 N SER A 111 -6.153 -3.174 1.408 1.00 11.12 N ATOM 1748 CA SER A 111 -6.803 -2.167 2.276 1.00 51.12 C ATOM 1749 C SER A 111 -6.105 -0.812 2.075 1.00 51.24 C ATOM 1750 O SER A 111 -4.982 -0.624 2.540 1.00 74.42 O ATOM 1751 CB SER A 111 -6.725 -2.616 3.758 1.00 10.32 C ATOM 1752 OG SER A 111 -7.390 -3.850 3.942 1.00 23.11 O ATOM 0 H SER A 111 -5.237 -3.475 1.741 1.00 11.12 H new ATOM 0 HA SER A 111 -7.855 -2.068 2.010 1.00 51.12 H new ATOM 0 HB2 SER A 111 -5.682 -2.711 4.060 1.00 10.32 H new ATOM 0 HB3 SER A 111 -7.174 -1.856 4.397 1.00 10.32 H new ATOM 0 HG SER A 111 -7.329 -4.118 4.883 1.00 23.11 H new ATOM 1758 N VAL A 112 -6.773 0.110 1.364 1.00 31.52 N ATOM 1759 CA VAL A 112 -6.278 1.478 1.102 1.00 63.04 C ATOM 1760 C VAL A 112 -7.000 2.451 2.049 1.00 34.44 C ATOM 1761 O VAL A 112 -8.225 2.500 2.068 1.00 71.23 O ATOM 1762 CB VAL A 112 -6.529 1.905 -0.401 1.00 20.24 C ATOM 1763 CG1 VAL A 112 -6.041 3.347 -0.675 1.00 50.14 C ATOM 1764 CG2 VAL A 112 -5.884 0.899 -1.386 1.00 34.13 C ATOM 0 H VAL A 112 -7.686 -0.073 0.947 1.00 31.52 H new ATOM 0 HA VAL A 112 -5.202 1.504 1.277 1.00 63.04 H new ATOM 0 HB VAL A 112 -7.606 1.889 -0.566 1.00 20.24 H new ATOM 0 HG11 VAL A 112 -6.231 3.603 -1.717 1.00 50.14 H new ATOM 0 HG12 VAL A 112 -6.576 4.041 -0.027 1.00 50.14 H new ATOM 0 HG13 VAL A 112 -4.972 3.414 -0.474 1.00 50.14 H new ATOM 0 HG21 VAL A 112 -6.074 1.220 -2.410 1.00 34.13 H new ATOM 0 HG22 VAL A 112 -4.809 0.858 -1.212 1.00 34.13 H new ATOM 0 HG23 VAL A 112 -6.315 -0.090 -1.230 1.00 34.13 H new ATOM 1774 N LYS A 113 -6.242 3.185 2.871 1.00 32.21 N ATOM 1775 CA LYS A 113 -6.798 4.131 3.846 1.00 41.01 C ATOM 1776 C LYS A 113 -5.851 5.324 4.038 1.00 41.53 C ATOM 1777 O LYS A 113 -4.758 5.185 4.592 1.00 15.45 O ATOM 1778 CB LYS A 113 -7.102 3.380 5.171 1.00 24.41 C ATOM 1779 CG LYS A 113 -6.002 2.403 5.641 1.00 73.20 C ATOM 1780 CD LYS A 113 -6.426 1.586 6.877 1.00 14.10 C ATOM 1781 CE LYS A 113 -6.717 2.460 8.099 1.00 42.04 C ATOM 1782 NZ LYS A 113 -7.169 1.647 9.257 1.00 54.34 N ATOM 0 H LYS A 113 -5.223 3.140 2.879 1.00 32.21 H new ATOM 0 HA LYS A 113 -7.737 4.543 3.477 1.00 41.01 H new ATOM 0 HB2 LYS A 113 -7.271 4.116 5.957 1.00 24.41 H new ATOM 0 HB3 LYS A 113 -8.032 2.824 5.050 1.00 24.41 H new ATOM 0 HG2 LYS A 113 -5.754 1.722 4.827 1.00 73.20 H new ATOM 0 HG3 LYS A 113 -5.097 2.965 5.874 1.00 73.20 H new ATOM 0 HD2 LYS A 113 -7.315 1.004 6.634 1.00 14.10 H new ATOM 0 HD3 LYS A 113 -5.637 0.876 7.125 1.00 14.10 H new ATOM 0 HE2 LYS A 113 -5.820 3.016 8.372 1.00 42.04 H new ATOM 0 HE3 LYS A 113 -7.483 3.194 7.848 1.00 42.04 H new ATOM 0 HZ1 LYS A 113 -8.067 2.027 9.618 1.00 54.34 H new ATOM 0 HZ2 LYS A 113 -7.306 0.661 8.956 1.00 54.34 H new ATOM 0 HZ3 LYS A 113 -6.451 1.683 10.008 1.00 54.34 H new ATOM 1796 N GLN A 114 -6.277 6.499 3.547 1.00 0.31 N ATOM 1797 CA GLN A 114 -5.514 7.749 3.656 1.00 73.32 C ATOM 1798 C GLN A 114 -6.083 8.644 4.772 1.00 42.11 C ATOM 1799 O GLN A 114 -7.179 8.387 5.284 1.00 52.13 O ATOM 1800 CB GLN A 114 -5.484 8.506 2.292 1.00 35.24 C ATOM 1801 CG GLN A 114 -6.854 8.966 1.732 1.00 2.12 C ATOM 1802 CD GLN A 114 -7.634 7.922 0.914 1.00 44.43 C ATOM 1803 OE1 GLN A 114 -7.473 6.711 1.072 1.00 52.12 O ATOM 1804 NE2 GLN A 114 -8.529 8.394 0.063 1.00 21.23 N ATOM 0 H GLN A 114 -7.167 6.607 3.060 1.00 0.31 H new ATOM 0 HA GLN A 114 -4.487 7.495 3.920 1.00 73.32 H new ATOM 0 HB2 GLN A 114 -4.847 9.384 2.402 1.00 35.24 H new ATOM 0 HB3 GLN A 114 -5.012 7.860 1.552 1.00 35.24 H new ATOM 0 HG2 GLN A 114 -7.478 9.283 2.568 1.00 2.12 H new ATOM 0 HG3 GLN A 114 -6.692 9.843 1.105 1.00 2.12 H new ATOM 0 HE21 GLN A 114 -8.644 9.401 -0.050 1.00 21.23 H new ATOM 0 HE22 GLN A 114 -9.105 7.751 -0.480 1.00 21.23 H new ATOM 1813 N ASN A 115 -5.320 9.690 5.141 1.00 11.31 N ATOM 1814 CA ASN A 115 -5.673 10.599 6.245 1.00 51.41 C ATOM 1815 C ASN A 115 -6.719 11.622 5.770 1.00 41.25 C ATOM 1816 O ASN A 115 -7.873 11.599 6.221 1.00 5.24 O ATOM 1817 CB ASN A 115 -4.392 11.286 6.785 1.00 25.00 C ATOM 1818 CG ASN A 115 -4.630 12.131 8.035 1.00 24.43 C ATOM 1819 OD1 ASN A 115 -5.467 11.811 8.877 1.00 54.03 O ATOM 1820 ND2 ASN A 115 -3.891 13.209 8.167 1.00 51.11 N ATOM 0 H ASN A 115 -4.441 9.928 4.681 1.00 11.31 H new ATOM 0 HA ASN A 115 -6.118 10.033 7.064 1.00 51.41 H new ATOM 0 HB2 ASN A 115 -3.648 10.522 7.010 1.00 25.00 H new ATOM 0 HB3 ASN A 115 -3.973 11.919 6.003 1.00 25.00 H new ATOM 0 HD21 ASN A 115 -4.003 13.807 8.986 1.00 51.11 H new ATOM 0 HD22 ASN A 115 -3.205 13.448 7.451 1.00 51.11 H new ATOM 1827 N GLU A 116 -6.319 12.514 4.850 1.00 62.31 N ATOM 1828 CA GLU A 116 -7.259 13.406 4.159 1.00 51.45 C ATOM 1829 C GLU A 116 -7.640 12.738 2.834 1.00 22.14 C ATOM 1830 O GLU A 116 -6.825 12.685 1.900 1.00 10.33 O ATOM 1831 CB GLU A 116 -6.627 14.805 3.909 1.00 63.01 C ATOM 1832 CG GLU A 116 -6.185 15.561 5.180 1.00 65.44 C ATOM 1833 CD GLU A 116 -7.329 15.809 6.177 1.00 30.50 C ATOM 1834 OE1 GLU A 116 -8.185 16.684 5.915 1.00 20.13 O ATOM 1835 OE2 GLU A 116 -7.390 15.125 7.218 1.00 14.12 O ATOM 0 H GLU A 116 -5.346 12.636 4.568 1.00 62.31 H new ATOM 0 HA GLU A 116 -8.144 13.566 4.775 1.00 51.45 H new ATOM 0 HB2 GLU A 116 -5.761 14.684 3.258 1.00 63.01 H new ATOM 0 HB3 GLU A 116 -7.347 15.421 3.371 1.00 63.01 H new ATOM 0 HG2 GLU A 116 -5.399 14.992 5.676 1.00 65.44 H new ATOM 0 HG3 GLU A 116 -5.752 16.519 4.891 1.00 65.44 H new ATOM 1842 N ALA A 117 -8.860 12.200 2.774 1.00 1.35 N ATOM 1843 CA ALA A 117 -9.385 11.543 1.584 1.00 60.14 C ATOM 1844 C ALA A 117 -9.972 12.578 0.621 1.00 35.43 C ATOM 1845 O ALA A 117 -10.957 13.253 0.944 1.00 61.53 O ATOM 1846 CB ALA A 117 -10.438 10.494 2.003 1.00 54.54 C ATOM 0 H ALA A 117 -9.513 12.210 3.558 1.00 1.35 H new ATOM 0 HA ALA A 117 -8.579 11.031 1.059 1.00 60.14 H new ATOM 0 HB1 ALA A 117 -10.833 10.000 1.115 1.00 54.54 H new ATOM 0 HB2 ALA A 117 -9.974 9.753 2.654 1.00 54.54 H new ATOM 0 HB3 ALA A 117 -11.251 10.987 2.536 1.00 54.54 H new ATOM 1852 N ARG A 118 -9.321 12.730 -0.542 1.00 53.33 N ATOM 1853 CA ARG A 118 -9.865 13.461 -1.699 1.00 54.10 C ATOM 1854 C ARG A 118 -10.166 12.433 -2.792 1.00 53.02 C ATOM 1855 O ARG A 118 -9.375 11.498 -2.968 1.00 24.04 O ATOM 1856 CB ARG A 118 -8.849 14.523 -2.218 1.00 22.40 C ATOM 1857 CG ARG A 118 -9.437 15.496 -3.257 1.00 60.11 C ATOM 1858 CD ARG A 118 -8.427 16.533 -3.784 1.00 23.54 C ATOM 1859 NE ARG A 118 -9.129 17.634 -4.469 1.00 21.04 N ATOM 1860 CZ ARG A 118 -8.684 18.322 -5.528 1.00 62.34 C ATOM 1861 NH1 ARG A 118 -7.508 18.054 -6.087 1.00 62.51 N ATOM 1862 NH2 ARG A 118 -9.435 19.296 -6.025 1.00 22.51 N ATOM 0 H ARG A 118 -8.391 12.345 -0.709 1.00 53.33 H new ATOM 0 HA ARG A 118 -10.770 13.996 -1.412 1.00 54.10 H new ATOM 0 HB2 ARG A 118 -8.473 15.096 -1.370 1.00 22.40 H new ATOM 0 HB3 ARG A 118 -7.995 14.009 -2.659 1.00 22.40 H new ATOM 0 HG2 ARG A 118 -9.826 14.922 -4.098 1.00 60.11 H new ATOM 0 HG3 ARG A 118 -10.282 16.021 -2.811 1.00 60.11 H new ATOM 0 HD2 ARG A 118 -7.837 16.928 -2.957 1.00 23.54 H new ATOM 0 HD3 ARG A 118 -7.730 16.054 -4.472 1.00 23.54 H new ATOM 0 HE ARG A 118 -10.043 17.897 -4.100 1.00 21.04 H new ATOM 0 HH11 ARG A 118 -6.922 17.309 -5.710 1.00 62.51 H new ATOM 0 HH12 ARG A 118 -7.192 18.593 -6.893 1.00 62.51 H new ATOM 0 HH21 ARG A 118 -10.337 19.511 -5.601 1.00 22.51 H new ATOM 0 HH22 ARG A 118 -9.110 19.830 -6.831 1.00 22.51 H new ATOM 1876 N THR A 119 -11.288 12.605 -3.522 1.00 65.54 N ATOM 1877 CA THR A 119 -11.715 11.686 -4.603 1.00 3.32 C ATOM 1878 C THR A 119 -10.580 11.474 -5.626 1.00 0.21 C ATOM 1879 O THR A 119 -10.324 10.354 -6.064 1.00 72.35 O ATOM 1880 CB THR A 119 -12.988 12.237 -5.326 1.00 34.42 C ATOM 1881 OG1 THR A 119 -13.971 12.599 -4.339 1.00 74.04 O ATOM 1882 CG2 THR A 119 -13.608 11.215 -6.307 1.00 61.22 C ATOM 0 H THR A 119 -11.927 13.387 -3.379 1.00 65.54 H new ATOM 0 HA THR A 119 -11.957 10.726 -4.148 1.00 3.32 H new ATOM 0 HB THR A 119 -12.681 13.104 -5.911 1.00 34.42 H new ATOM 0 HG1 THR A 119 -14.771 12.947 -4.786 1.00 74.04 H new ATOM 0 HG21 THR A 119 -14.488 11.652 -6.779 1.00 61.22 H new ATOM 0 HG22 THR A 119 -12.877 10.955 -7.072 1.00 61.22 H new ATOM 0 HG23 THR A 119 -13.897 10.317 -5.762 1.00 61.22 H new ATOM 1890 N GLU A 120 -9.890 12.583 -5.935 1.00 12.40 N ATOM 1891 CA GLU A 120 -8.727 12.604 -6.820 1.00 4.34 C ATOM 1892 C GLU A 120 -7.577 11.743 -6.273 1.00 24.40 C ATOM 1893 O GLU A 120 -7.110 10.847 -6.962 1.00 75.34 O ATOM 1894 CB GLU A 120 -8.232 14.059 -6.969 1.00 30.44 C ATOM 1895 CG GLU A 120 -6.900 14.211 -7.746 1.00 52.02 C ATOM 1896 CD GLU A 120 -6.232 15.550 -7.472 1.00 65.24 C ATOM 1897 OE1 GLU A 120 -5.792 15.760 -6.319 1.00 35.25 O ATOM 1898 OE2 GLU A 120 -6.173 16.413 -8.375 1.00 30.12 O ATOM 0 H GLU A 120 -10.133 13.503 -5.568 1.00 12.40 H new ATOM 0 HA GLU A 120 -9.031 12.194 -7.783 1.00 4.34 H new ATOM 0 HB2 GLU A 120 -9.002 14.641 -7.476 1.00 30.44 H new ATOM 0 HB3 GLU A 120 -8.109 14.491 -5.976 1.00 30.44 H new ATOM 0 HG2 GLU A 120 -6.223 13.404 -7.467 1.00 52.02 H new ATOM 0 HG3 GLU A 120 -7.090 14.112 -8.815 1.00 52.02 H new ATOM 1905 N THR A 121 -7.155 12.018 -5.018 1.00 61.44 N ATOM 1906 CA THR A 121 -5.938 11.418 -4.441 1.00 10.24 C ATOM 1907 C THR A 121 -6.119 9.907 -4.211 1.00 32.12 C ATOM 1908 O THR A 121 -5.172 9.145 -4.386 1.00 44.21 O ATOM 1909 CB THR A 121 -5.500 12.137 -3.118 1.00 25.13 C ATOM 1910 OG1 THR A 121 -6.542 12.054 -2.130 1.00 44.13 O ATOM 1911 CG2 THR A 121 -5.140 13.622 -3.360 1.00 55.54 C ATOM 0 H THR A 121 -7.643 12.654 -4.387 1.00 61.44 H new ATOM 0 HA THR A 121 -5.137 11.558 -5.167 1.00 10.24 H new ATOM 0 HB THR A 121 -4.609 11.624 -2.756 1.00 25.13 H new ATOM 0 HG1 THR A 121 -7.397 11.870 -2.571 1.00 44.13 H new ATOM 0 HG21 THR A 121 -4.842 14.082 -2.418 1.00 55.54 H new ATOM 0 HG22 THR A 121 -4.316 13.685 -4.071 1.00 55.54 H new ATOM 0 HG23 THR A 121 -6.007 14.146 -3.762 1.00 55.54 H new ATOM 1919 N LEU A 122 -7.346 9.490 -3.830 1.00 20.22 N ATOM 1920 CA LEU A 122 -7.705 8.067 -3.698 1.00 13.11 C ATOM 1921 C LEU A 122 -7.654 7.354 -5.059 1.00 32.20 C ATOM 1922 O LEU A 122 -6.925 6.381 -5.205 1.00 41.23 O ATOM 1923 CB LEU A 122 -9.117 7.907 -3.080 1.00 52.32 C ATOM 1924 CG LEU A 122 -9.628 6.436 -2.867 1.00 61.31 C ATOM 1925 CD1 LEU A 122 -8.667 5.606 -1.989 1.00 64.33 C ATOM 1926 CD2 LEU A 122 -11.057 6.411 -2.288 1.00 2.11 C ATOM 0 H LEU A 122 -8.109 10.129 -3.607 1.00 20.22 H new ATOM 0 HA LEU A 122 -6.973 7.607 -3.034 1.00 13.11 H new ATOM 0 HB2 LEU A 122 -9.126 8.414 -2.115 1.00 52.32 H new ATOM 0 HB3 LEU A 122 -9.830 8.426 -3.720 1.00 52.32 H new ATOM 0 HG LEU A 122 -9.653 5.971 -3.852 1.00 61.31 H new ATOM 0 HD11 LEU A 122 -9.062 4.597 -1.870 1.00 64.33 H new ATOM 0 HD12 LEU A 122 -7.688 5.558 -2.466 1.00 64.33 H new ATOM 0 HD13 LEU A 122 -8.571 6.076 -1.010 1.00 64.33 H new ATOM 0 HD21 LEU A 122 -11.377 5.378 -2.154 1.00 2.11 H new ATOM 0 HD22 LEU A 122 -11.069 6.922 -1.325 1.00 2.11 H new ATOM 0 HD23 LEU A 122 -11.737 6.915 -2.975 1.00 2.11 H new ATOM 1938 N ASN A 123 -8.405 7.880 -6.055 1.00 32.34 N ATOM 1939 CA ASN A 123 -8.561 7.221 -7.377 1.00 2.45 C ATOM 1940 C ASN A 123 -7.217 7.158 -8.121 1.00 20.44 C ATOM 1941 O ASN A 123 -6.905 6.159 -8.776 1.00 31.21 O ATOM 1942 CB ASN A 123 -9.634 7.939 -8.248 1.00 62.42 C ATOM 1943 CG ASN A 123 -11.067 7.809 -7.708 1.00 12.31 C ATOM 1944 OD1 ASN A 123 -11.406 6.850 -7.006 1.00 21.33 O ATOM 1945 ND2 ASN A 123 -11.930 8.757 -8.055 1.00 54.40 N ATOM 0 H ASN A 123 -8.914 8.760 -5.970 1.00 32.34 H new ATOM 0 HA ASN A 123 -8.903 6.202 -7.196 1.00 2.45 H new ATOM 0 HB2 ASN A 123 -9.379 8.996 -8.322 1.00 62.42 H new ATOM 0 HB3 ASN A 123 -9.599 7.531 -9.258 1.00 62.42 H new ATOM 0 HD21 ASN A 123 -12.899 8.704 -7.741 1.00 54.40 H new ATOM 0 HD22 ASN A 123 -11.624 9.538 -8.635 1.00 54.40 H new ATOM 1952 N SER A 124 -6.427 8.229 -7.974 1.00 43.44 N ATOM 1953 CA SER A 124 -5.073 8.330 -8.531 1.00 20.34 C ATOM 1954 C SER A 124 -4.146 7.289 -7.877 1.00 21.24 C ATOM 1955 O SER A 124 -3.410 6.598 -8.579 1.00 2.21 O ATOM 1956 CB SER A 124 -4.528 9.757 -8.315 1.00 34.41 C ATOM 1957 OG SER A 124 -3.202 9.911 -8.799 1.00 11.33 O ATOM 0 H SER A 124 -6.714 9.061 -7.458 1.00 43.44 H new ATOM 0 HA SER A 124 -5.110 8.126 -9.601 1.00 20.34 H new ATOM 0 HB2 SER A 124 -5.180 10.472 -8.817 1.00 34.41 H new ATOM 0 HB3 SER A 124 -4.553 9.995 -7.252 1.00 34.41 H new ATOM 0 HG SER A 124 -2.958 10.860 -8.789 1.00 11.33 H new ATOM 1963 N PHE A 125 -4.226 7.174 -6.531 1.00 60.45 N ATOM 1964 CA PHE A 125 -3.405 6.227 -5.743 1.00 31.41 C ATOM 1965 C PHE A 125 -3.734 4.768 -6.101 1.00 2.14 C ATOM 1966 O PHE A 125 -2.834 3.927 -6.188 1.00 75.24 O ATOM 1967 CB PHE A 125 -3.614 6.450 -4.223 1.00 40.11 C ATOM 1968 CG PHE A 125 -2.764 5.536 -3.339 1.00 73.23 C ATOM 1969 CD1 PHE A 125 -1.429 5.842 -3.082 1.00 14.54 C ATOM 1970 CD2 PHE A 125 -3.288 4.359 -2.795 1.00 52.13 C ATOM 1971 CE1 PHE A 125 -0.653 5.008 -2.305 1.00 61.34 C ATOM 1972 CE2 PHE A 125 -2.503 3.525 -2.022 1.00 62.11 C ATOM 1973 CZ PHE A 125 -1.186 3.850 -1.778 1.00 1.13 C ATOM 0 H PHE A 125 -4.861 7.734 -5.962 1.00 60.45 H new ATOM 0 HA PHE A 125 -2.361 6.418 -5.992 1.00 31.41 H new ATOM 0 HB2 PHE A 125 -3.383 7.488 -3.983 1.00 40.11 H new ATOM 0 HB3 PHE A 125 -4.666 6.294 -3.984 1.00 40.11 H new ATOM 0 HD1 PHE A 125 -0.998 6.742 -3.496 1.00 14.54 H new ATOM 0 HD2 PHE A 125 -4.319 4.099 -2.981 1.00 52.13 H new ATOM 0 HE1 PHE A 125 0.378 5.263 -2.108 1.00 61.34 H new ATOM 0 HE2 PHE A 125 -2.921 2.619 -1.609 1.00 62.11 H new ATOM 0 HZ PHE A 125 -0.572 3.198 -1.174 1.00 1.13 H new ATOM 1983 N ILE A 126 -5.042 4.489 -6.283 1.00 75.42 N ATOM 1984 CA ILE A 126 -5.535 3.163 -6.675 1.00 31.20 C ATOM 1985 C ILE A 126 -4.987 2.820 -8.070 1.00 44.43 C ATOM 1986 O ILE A 126 -4.481 1.733 -8.264 1.00 2.50 O ATOM 1987 CB ILE A 126 -7.117 3.086 -6.668 1.00 42.42 C ATOM 1988 CG1 ILE A 126 -7.689 3.338 -5.233 1.00 53.01 C ATOM 1989 CG2 ILE A 126 -7.621 1.726 -7.216 1.00 22.51 C ATOM 1990 CD1 ILE A 126 -9.206 3.475 -5.166 1.00 23.04 C ATOM 0 H ILE A 126 -5.782 5.181 -6.161 1.00 75.42 H new ATOM 0 HA ILE A 126 -5.182 2.436 -5.943 1.00 31.20 H new ATOM 0 HB ILE A 126 -7.481 3.874 -7.328 1.00 42.42 H new ATOM 0 HG12 ILE A 126 -7.383 2.516 -4.585 1.00 53.01 H new ATOM 0 HG13 ILE A 126 -7.238 4.245 -4.831 1.00 53.01 H new ATOM 0 HG21 ILE A 126 -8.711 1.707 -7.197 1.00 22.51 H new ATOM 0 HG22 ILE A 126 -7.274 1.595 -8.241 1.00 22.51 H new ATOM 0 HG23 ILE A 126 -7.233 0.918 -6.596 1.00 22.51 H new ATOM 0 HD11 ILE A 126 -9.511 3.647 -4.134 1.00 23.04 H new ATOM 0 HD12 ILE A 126 -9.523 4.316 -5.783 1.00 23.04 H new ATOM 0 HD13 ILE A 126 -9.671 2.560 -5.533 1.00 23.04 H new ATOM 2002 N SER A 127 -5.034 3.803 -8.999 1.00 63.11 N ATOM 2003 CA SER A 127 -4.504 3.650 -10.372 1.00 73.13 C ATOM 2004 C SER A 127 -2.986 3.345 -10.364 1.00 35.20 C ATOM 2005 O SER A 127 -2.514 2.505 -11.145 1.00 33.15 O ATOM 2006 CB SER A 127 -4.806 4.918 -11.203 1.00 35.31 C ATOM 2007 OG SER A 127 -6.205 5.128 -11.330 1.00 12.31 O ATOM 0 H SER A 127 -5.439 4.721 -8.818 1.00 63.11 H new ATOM 0 HA SER A 127 -5.004 2.799 -10.835 1.00 73.13 H new ATOM 0 HB2 SER A 127 -4.347 5.785 -10.728 1.00 35.31 H new ATOM 0 HB3 SER A 127 -4.359 4.823 -12.192 1.00 35.31 H new ATOM 0 HG SER A 127 -6.557 5.503 -10.496 1.00 12.31 H new ATOM 2013 N VAL A 128 -2.242 4.025 -9.457 1.00 74.05 N ATOM 2014 CA VAL A 128 -0.805 3.764 -9.223 1.00 61.02 C ATOM 2015 C VAL A 128 -0.613 2.289 -8.831 1.00 75.54 C ATOM 2016 O VAL A 128 0.106 1.549 -9.496 1.00 23.13 O ATOM 2017 CB VAL A 128 -0.222 4.709 -8.087 1.00 43.04 C ATOM 2018 CG1 VAL A 128 1.212 4.305 -7.666 1.00 4.25 C ATOM 2019 CG2 VAL A 128 -0.267 6.198 -8.512 1.00 2.52 C ATOM 0 H VAL A 128 -2.623 4.767 -8.870 1.00 74.05 H new ATOM 0 HA VAL A 128 -0.261 3.977 -10.143 1.00 61.02 H new ATOM 0 HB VAL A 128 -0.865 4.581 -7.216 1.00 43.04 H new ATOM 0 HG11 VAL A 128 1.567 4.981 -6.887 1.00 4.25 H new ATOM 0 HG12 VAL A 128 1.205 3.284 -7.285 1.00 4.25 H new ATOM 0 HG13 VAL A 128 1.875 4.366 -8.529 1.00 4.25 H new ATOM 0 HG21 VAL A 128 0.139 6.817 -7.712 1.00 2.52 H new ATOM 0 HG22 VAL A 128 0.327 6.337 -9.415 1.00 2.52 H new ATOM 0 HG23 VAL A 128 -1.299 6.489 -8.708 1.00 2.52 H new ATOM 2029 N LEU A 129 -1.337 1.895 -7.774 1.00 31.15 N ATOM 2030 CA LEU A 129 -1.330 0.544 -7.184 1.00 60.55 C ATOM 2031 C LEU A 129 -1.730 -0.549 -8.216 1.00 61.21 C ATOM 2032 O LEU A 129 -1.164 -1.647 -8.202 1.00 32.10 O ATOM 2033 CB LEU A 129 -2.281 0.593 -5.942 1.00 72.13 C ATOM 2034 CG LEU A 129 -2.211 -0.569 -4.889 1.00 4.41 C ATOM 2035 CD1 LEU A 129 -2.739 -0.089 -3.519 1.00 64.51 C ATOM 2036 CD2 LEU A 129 -2.997 -1.817 -5.342 1.00 41.03 C ATOM 0 H LEU A 129 -1.968 2.531 -7.286 1.00 31.15 H new ATOM 0 HA LEU A 129 -0.325 0.261 -6.872 1.00 60.55 H new ATOM 0 HB2 LEU A 129 -2.088 1.528 -5.415 1.00 72.13 H new ATOM 0 HB3 LEU A 129 -3.305 0.641 -6.312 1.00 72.13 H new ATOM 0 HG LEU A 129 -1.162 -0.852 -4.798 1.00 4.41 H new ATOM 0 HD11 LEU A 129 -2.683 -0.907 -2.801 1.00 64.51 H new ATOM 0 HD12 LEU A 129 -2.132 0.745 -3.167 1.00 64.51 H new ATOM 0 HD13 LEU A 129 -3.775 0.234 -3.621 1.00 64.51 H new ATOM 0 HD21 LEU A 129 -2.918 -2.593 -4.580 1.00 41.03 H new ATOM 0 HD22 LEU A 129 -4.045 -1.555 -5.486 1.00 41.03 H new ATOM 0 HD23 LEU A 129 -2.584 -2.187 -6.280 1.00 41.03 H new ATOM 2048 N GLU A 130 -2.678 -0.216 -9.115 1.00 64.01 N ATOM 2049 CA GLU A 130 -3.145 -1.116 -10.196 1.00 22.53 C ATOM 2050 C GLU A 130 -2.009 -1.383 -11.197 1.00 24.42 C ATOM 2051 O GLU A 130 -1.846 -2.511 -11.679 1.00 74.11 O ATOM 2052 CB GLU A 130 -4.371 -0.495 -10.931 1.00 13.02 C ATOM 2053 CG GLU A 130 -5.666 -0.385 -10.086 1.00 21.42 C ATOM 2054 CD GLU A 130 -6.488 -1.679 -9.984 1.00 13.42 C ATOM 2055 OE1 GLU A 130 -6.014 -2.656 -9.381 1.00 4.14 O ATOM 2056 OE2 GLU A 130 -7.636 -1.716 -10.501 1.00 3.02 O ATOM 0 H GLU A 130 -3.146 0.690 -9.114 1.00 64.01 H new ATOM 0 HA GLU A 130 -3.449 -2.062 -9.749 1.00 22.53 H new ATOM 0 HB2 GLU A 130 -4.098 0.501 -11.279 1.00 13.02 H new ATOM 0 HB3 GLU A 130 -4.585 -1.094 -11.816 1.00 13.02 H new ATOM 0 HG2 GLU A 130 -5.399 -0.062 -9.080 1.00 21.42 H new ATOM 0 HG3 GLU A 130 -6.296 0.395 -10.514 1.00 21.42 H new ATOM 2063 N THR A 131 -1.233 -0.323 -11.499 1.00 32.23 N ATOM 2064 CA THR A 131 -0.082 -0.396 -12.412 1.00 3.42 C ATOM 2065 C THR A 131 1.115 -1.127 -11.751 1.00 22.31 C ATOM 2066 O THR A 131 1.777 -1.925 -12.407 1.00 30.35 O ATOM 2067 CB THR A 131 0.325 1.041 -12.893 1.00 25.45 C ATOM 2068 OG1 THR A 131 -0.837 1.703 -13.419 1.00 63.51 O ATOM 2069 CG2 THR A 131 1.419 1.021 -13.985 1.00 32.22 C ATOM 0 H THR A 131 -1.390 0.609 -11.114 1.00 32.23 H new ATOM 0 HA THR A 131 -0.376 -0.979 -13.285 1.00 3.42 H new ATOM 0 HB THR A 131 0.731 1.569 -12.030 1.00 25.45 H new ATOM 0 HG1 THR A 131 -1.418 1.981 -12.680 1.00 63.51 H new ATOM 0 HG21 THR A 131 1.659 2.043 -14.278 1.00 32.22 H new ATOM 0 HG22 THR A 131 2.314 0.535 -13.595 1.00 32.22 H new ATOM 0 HG23 THR A 131 1.057 0.470 -14.853 1.00 32.22 H new ATOM 2077 N VAL A 132 1.345 -0.876 -10.437 1.00 64.42 N ATOM 2078 CA VAL A 132 2.438 -1.515 -9.657 1.00 65.14 C ATOM 2079 C VAL A 132 2.238 -3.043 -9.615 1.00 73.05 C ATOM 2080 O VAL A 132 3.118 -3.802 -10.031 1.00 52.23 O ATOM 2081 CB VAL A 132 2.521 -0.935 -8.184 1.00 11.03 C ATOM 2082 CG1 VAL A 132 3.532 -1.715 -7.299 1.00 34.10 C ATOM 2083 CG2 VAL A 132 2.872 0.571 -8.215 1.00 10.20 C ATOM 0 H VAL A 132 0.780 -0.227 -9.889 1.00 64.42 H new ATOM 0 HA VAL A 132 3.379 -1.288 -10.158 1.00 65.14 H new ATOM 0 HB VAL A 132 1.537 -1.061 -7.732 1.00 11.03 H new ATOM 0 HG11 VAL A 132 3.553 -1.280 -6.300 1.00 34.10 H new ATOM 0 HG12 VAL A 132 3.228 -2.760 -7.233 1.00 34.10 H new ATOM 0 HG13 VAL A 132 4.526 -1.654 -7.742 1.00 34.10 H new ATOM 0 HG21 VAL A 132 2.925 0.953 -7.196 1.00 10.20 H new ATOM 0 HG22 VAL A 132 3.836 0.710 -8.705 1.00 10.20 H new ATOM 0 HG23 VAL A 132 2.103 1.113 -8.766 1.00 10.20 H new ATOM 2093 N ILE A 133 1.036 -3.455 -9.159 1.00 73.25 N ATOM 2094 CA ILE A 133 0.609 -4.868 -9.102 1.00 42.01 C ATOM 2095 C ILE A 133 0.624 -5.491 -10.523 1.00 21.12 C ATOM 2096 O ILE A 133 1.090 -6.616 -10.706 1.00 23.45 O ATOM 2097 CB ILE A 133 -0.814 -4.981 -8.380 1.00 52.54 C ATOM 2098 CG1 ILE A 133 -0.628 -5.017 -6.813 1.00 15.30 C ATOM 2099 CG2 ILE A 133 -1.680 -6.159 -8.885 1.00 31.14 C ATOM 2100 CD1 ILE A 133 -1.890 -5.286 -6.008 1.00 11.43 C ATOM 0 H ILE A 133 0.327 -2.807 -8.816 1.00 73.25 H new ATOM 0 HA ILE A 133 1.313 -5.445 -8.503 1.00 42.01 H new ATOM 0 HB ILE A 133 -1.375 -4.086 -8.649 1.00 52.54 H new ATOM 0 HG12 ILE A 133 0.107 -5.784 -6.570 1.00 15.30 H new ATOM 0 HG13 ILE A 133 -0.211 -4.062 -6.493 1.00 15.30 H new ATOM 0 HG21 ILE A 133 -2.629 -6.169 -8.348 1.00 31.14 H new ATOM 0 HG22 ILE A 133 -1.868 -6.041 -9.952 1.00 31.14 H new ATOM 0 HG23 ILE A 133 -1.154 -7.098 -8.711 1.00 31.14 H new ATOM 0 HD11 ILE A 133 -1.650 -5.289 -4.945 1.00 11.43 H new ATOM 0 HD12 ILE A 133 -2.624 -4.507 -6.212 1.00 11.43 H new ATOM 0 HD13 ILE A 133 -2.302 -6.255 -6.290 1.00 11.43 H new ATOM 2112 N GLY A 134 0.196 -4.688 -11.514 1.00 22.23 N ATOM 2113 CA GLY A 134 0.187 -5.100 -12.921 1.00 61.13 C ATOM 2114 C GLY A 134 1.583 -5.417 -13.468 1.00 11.32 C ATOM 2115 O GLY A 134 1.753 -6.377 -14.223 1.00 62.44 O ATOM 0 H GLY A 134 -0.151 -3.741 -11.359 1.00 22.23 H new ATOM 0 HA2 GLY A 134 -0.447 -5.980 -13.031 1.00 61.13 H new ATOM 0 HA3 GLY A 134 -0.260 -4.308 -13.522 1.00 61.13 H new ATOM 2119 N THR A 135 2.582 -4.622 -13.033 1.00 11.32 N ATOM 2120 CA THR A 135 4.001 -4.771 -13.445 1.00 30.10 C ATOM 2121 C THR A 135 4.623 -6.056 -12.852 1.00 21.34 C ATOM 2122 O THR A 135 5.585 -6.613 -13.400 1.00 25.41 O ATOM 2123 CB THR A 135 4.823 -3.506 -13.008 1.00 24.13 C ATOM 2124 OG1 THR A 135 4.185 -2.323 -13.513 1.00 52.33 O ATOM 2125 CG2 THR A 135 6.276 -3.513 -13.516 1.00 11.14 C ATOM 0 H THR A 135 2.430 -3.852 -12.381 1.00 11.32 H new ATOM 0 HA THR A 135 4.035 -4.857 -14.531 1.00 30.10 H new ATOM 0 HB THR A 135 4.850 -3.522 -11.918 1.00 24.13 H new ATOM 0 HG1 THR A 135 3.354 -2.163 -13.018 1.00 52.33 H new ATOM 0 HG21 THR A 135 6.784 -2.610 -13.177 1.00 11.14 H new ATOM 0 HG22 THR A 135 6.794 -4.389 -13.126 1.00 11.14 H new ATOM 0 HG23 THR A 135 6.280 -3.544 -14.606 1.00 11.14 H new ATOM 2133 N ILE A 136 4.059 -6.511 -11.723 1.00 20.20 N ATOM 2134 CA ILE A 136 4.455 -7.765 -11.059 1.00 12.35 C ATOM 2135 C ILE A 136 3.747 -8.967 -11.730 1.00 71.43 C ATOM 2136 O ILE A 136 4.305 -10.071 -11.799 1.00 23.32 O ATOM 2137 CB ILE A 136 4.077 -7.716 -9.531 1.00 72.04 C ATOM 2138 CG1 ILE A 136 4.581 -6.397 -8.874 1.00 53.01 C ATOM 2139 CG2 ILE A 136 4.627 -8.946 -8.770 1.00 43.43 C ATOM 2140 CD1 ILE A 136 3.950 -6.103 -7.530 1.00 60.34 C ATOM 0 H ILE A 136 3.309 -6.016 -11.240 1.00 20.20 H new ATOM 0 HA ILE A 136 5.534 -7.883 -11.155 1.00 12.35 H new ATOM 0 HB ILE A 136 2.989 -7.741 -9.464 1.00 72.04 H new ATOM 0 HG12 ILE A 136 5.663 -6.453 -8.752 1.00 53.01 H new ATOM 0 HG13 ILE A 136 4.379 -5.566 -9.549 1.00 53.01 H new ATOM 0 HG21 ILE A 136 4.347 -8.878 -7.719 1.00 43.43 H new ATOM 0 HG22 ILE A 136 4.209 -9.856 -9.199 1.00 43.43 H new ATOM 0 HG23 ILE A 136 5.713 -8.971 -8.855 1.00 43.43 H new ATOM 0 HD11 ILE A 136 4.351 -5.169 -7.136 1.00 60.34 H new ATOM 0 HD12 ILE A 136 2.870 -6.013 -7.647 1.00 60.34 H new ATOM 0 HD13 ILE A 136 4.174 -6.915 -6.838 1.00 60.34 H new